A0A061IPV2_CRIGR Loading...

ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase

AlphaFold DB , UniProt , Accession A0A061IPV2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Bst1, Length 319 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	44.8	Very low	248 Å²	248	134.8 Å²	134.8	100%	1.222	79%	0.792	S	S	*	*				0	127	0	-78.1	179.1	-85.5	0	0	107.5
2	A	37.4	Very low	45.3	Very low	104 Å²	104	132.8 Å²	132.8	86%	0.86	77%	0.774	S	S	*	*			trans	-77.7	148.7	-160.6	0	0	0	0	0	114.3
3	A	32.4	Very low	45.8	Very low	91 Å²	91	136.5 Å²	136.5	75%	0.752	77%	0.767	S	S	*	*			trans	-161.4	98.4	149.6	0	0	0	0	0	106.8
4	Q	44.5	Very low	46.2	Very low	203 Å²	203	135.3 Å²	135.3	95%	0.949	76%	0.757	S	S	*	*				48.6	90.5	99.2	-73.9	-173.6	-6.6	0	0	113.5
5	G	42.1	Very low	46.7	Very low	71 Å²	71	139.5 Å²	139.5	73%	0.732	76%	0.757	S	S	*	*			trans	-150	66	170.8	0	0	0	0	0	110.2
6	C	47.4	Very low	47.2	Very low	128 Å²	128	138.9 Å²	138.9	87%	0.865	75%	0.752	S	S	*	*			trans	-152.5	35	174.8	-104.4	0	0	0	0	113.3
7	T	49.7	Very low	47.4	Very low	106 Å²	106	140.6 Å²	140.6	65%	0.65	75%	0.745	S	S	*	*	S	Bend	trans	-117.1	-11.6	175.4	50.5	0	0	0	0	113.7
8	L	47.1	Very low	47.8	Very low	143 Å²	143	135.8 Å²	135.8	75%	0.749	73%	0.728	S	S	*	*	H	α-helix	trans	-79.1	-17.8	-176.6	-88.4	148.3	0	0	0	114.6
9	S	55.9	Low	48.1	Very low	83 Å²	83	133.1 Å²	133.1	58%	0.58	72%	0.719	S	S	*	*	H	α-helix	trans	-82.5	-37.7	-175.5	-168.5	0	0	0	0	113.7	W11 W13	S9-W11 PolarHBondContact O-N 3.37Å; S9-W13 VanDerWaalsContact O-CD1 3.27Å
10	L	49.8	Very low	48.5	Very low	131 Å²	131	132.9 Å²	132.9	69%	0.686	72%	0.717	S	S	*	*	H	α-helix	trans	-71.3	-29.5	179.9	-103.2	100.4	0	0	0	113.4	W13 L14	L10-W13 PolarHBondContact O-N 3.39Å; L10-L14 PolarHBondContact O-N 3.05Å
11	W	51	Low	48.6	Very low	175 Å²	175	131.6 Å²	131.6	66%	0.663	71%	0.709	S	S	*	*	H	α-helix	trans	-71.8	-36.4	-178	-76.1	62.5	0	0	0	111.8	S9 W13 L14 W15	S9-W11 PolarHBondContact O-N 3.37Å; W11-W13 VanDerWaalsContact C-N 3.32Å; W11-W13 PolarHBondContact O-N 3.39Å; W11-L14 PolarHBondContact O-N 3.14Å; W11-W15 PolarHBondContact O-N 3.04Å
12	L	50.9	Low	49.3	Very low	111 Å²	111	125 Å²	125	58%	0.581	68%	0.678	S	S	*	*	H	α-helix	trans	-67.3	-31.8	176.2	-79.4	157.9	0	0	0	112.5	L16	L12-L16 WeakPolarHBondContact O-CD1 3.48Å; L12-L16 PolarHBondContact O-N 3.46Å
13	W	51.4	Low	50	Low	181 Å²	181	124 Å²	124	69%	0.686	66%	0.663	S	S	*	*	H	α-helix	trans	-72.8	-39.1	177.3	-78.2	51.5	0	0	0	112.4	S9 L10 W11 W15 L16 W17	S9-W13 VanDerWaalsContact O-CD1 3.27Å; L10-W13 PolarHBondContact O-N 3.39Å; W11-W13 VanDerWaalsContact C-N 3.32Å; W11-W13 PolarHBondContact O-N 3.39Å; W13-W15 VanDerWaalsContact C-N 3.33Å; W13-W15 PolarHBondContact O-N 3Å; W13-L16 PolarHBondContact O-N 3.25Å; W13-W17 PolarHBondContact O-N 3.1Å
14	L	51.8	Low	50.9	Low	119 Å²	119	126.6 Å²	126.6	62%	0.623	66%	0.663	S	S	*	*	H	α-helix	trans	-65.3	-35.8	175.9	-78.1	159.9	0	0	0	112.3	L10 W11 A18	L10-L14 PolarHBondContact O-N 3.05Å; W11-L14 PolarHBondContact O-N 3.14Å; L14-A18 VanDerWaalsContact O-CB 3.3Å; L14-A18 WeakPolarHBondContact O-CB 3.36Å; L14-A18 PolarHBondContact O-N 3.37Å; L14-A18 VanDerWaalsContact O-N 3.13Å
15	W	54.3	Low	51.1	Low	199 Å²	199	124.1 Å²	124.1	75%	0.754	66%	0.656	S	S	*	*	H	α-helix	trans	-75.1	-28.1	-180	-82.4	62.8	0	0	0	114.1	W11 W13 P19	W11-W15 PolarHBondContact O-N 3.04Å; W13-W15 VanDerWaalsContact C-N 3.33Å; W13-W15 PolarHBondContact O-N 3Å; W15-P19 WeakPolarHBondContact O-CD 3.08Å
16	L	54.3	Low	51.5	Low	129 Å²	129	127 Å²	127	68%	0.675	65%	0.654	S	S	*	*	H	α-helix	trans	-78.4	-22.7	178.5	-80.8	160.6	0	0	0	113.3	L12 W13	L12-L16 WeakPolarHBondContact O-CD1 3.48Å; L12-L16 PolarHBondContact O-N 3.46Å; W13-L16 PolarHBondContact O-N 3.25Å
17	W	51	Low	51.5	Low	168 Å²	168	124 Å²	124	64%	0.636	64%	0.644	S	S	*	*	H	α-helix	trans	-105	-17.2	-178.5	-66.5	62.1	0	0	0	113.3	W13 L20 L21	W13-W17 PolarHBondContact O-N 3.1Å; W17-L20 PolarHBondContact O-N 3Å; W17-L20 VanDerWaalsContact O-N 3.17Å; W17-L21 PolarHBondContact O-N 3.32Å
18	A	53.6	Low	51.2	Low	54 Å²	54	123.3 Å²	123.3	45%	0.446	65%	0.65	S	S	.	*	H	α-helix	trans	-56.2	-39.4	174.8	0	0	0	0	0	115.1	L14 L20 L22	L14-A18 VanDerWaalsContact O-CB 3.3Å; L14-A18 WeakPolarHBondContact O-CB 3.36Å; L14-A18 PolarHBondContact O-N 3.37Å; L14-A18 VanDerWaalsContact O-N 3.13Å; A18-L20 VanDerWaalsContact C-N 3.29Å; A18-L20 PolarHBondContact O-N 3.35Å; A18-L22 PolarHBondContact O-N 2.79Å
19	P	54.9	Low	51.2	Low	85 Å²	85	128.1 Å²	128.1	55%	0.552	66%	0.658	S	S	*	*	H	α-helix	trans	-79.3	-12.6	179.4	23	-17	0	0	0	113	W15 P23	W15-P19 WeakPolarHBondContact O-CD 3.08Å; P19-P23 VanDerWaalsContact O-CD 3.25Å; P19-P23 WeakPolarHBondContact O-CD 3.49Å
20	L	54.8	Low	50.9	Low	129 Å²	129	128.5 Å²	128.5	68%	0.675	67%	0.666	S	S	*	*	H	α-helix	trans	-88.4	-24.3	174.7	-128.2	92.3	0	0	0	112.8	W17 A18 P23	W17-L20 PolarHBondContact O-N 3Å; W17-L20 VanDerWaalsContact O-N 3.17Å; A18-L20 VanDerWaalsContact C-N 3.29Å; A18-L20 PolarHBondContact O-N 3.35Å; L20-P23 WeakPolarHBondContact O-CD 3.33Å
21	L	51.9	Low	51.4	Low	106 Å²	106	125.4 Å²	125.4	56%	0.555	66%	0.659	S	S	*	*	H	α-helix	trans	-88.8	-24.4	177.6	-82.8	157.4	0	0	0	113.2	W17 L24	W17-L21 PolarHBondContact O-N 3.32Å; L21-L24 PolarHBondContact O-N 3.47Å
22	L	49.8	Very low	52.1	Low	109 Å²	109	121.5 Å²	121.5	57%	0.571	66%	0.664	S	S	*	*	H	α-helix	trans	-66.1	-35.7	-179.8	-146.8	72	0	0	0	114.4	A18 L24 L25 L26	A18-L22 PolarHBondContact O-N 2.79Å; L22-L24 VanDerWaalsContact C-N 3.3Å; L22-L24 PolarHBondContact O-N 2.93Å; L22-L25 PolarHBondContact O-N 3.48Å; L22-L26 HydrophobicContact CG-CD1 4.03Å; L22-L26 VanDerWaalsContact O-CD1 3.22Å; L22-L26 WeakPolarHBondContact O-CD1 3.4Å; L22-L26 PolarHBondContact O-N 2.99Å
23	P	51.5	Low	53.3	Low	84 Å²	84	119.2 Å²	119.2	55%	0.545	66%	0.662	S	S	.	*	H	α-helix	trans	-72.3	-22.9	176	-12.9	28.2	0	0	0	113	P19 L20 G27	P19-P23 VanDerWaalsContact O-CD 3.25Å; P19-P23 WeakPolarHBondContact O-CD 3.49Å; L20-P23 WeakPolarHBondContact O-CD 3.33Å; P23-G27 PolarHBondContact O-N 3.4Å
24	L	51	Low	55.1	Low	145 Å²	145	117.9 Å²	117.9	76%	0.759	66%	0.656	S	S	*	*	H	α-helix	trans	-74.3	-25.5	176.3	-104.5	106.3	0	0	0	112.7	L21 L22	L21-L24 PolarHBondContact O-N 3.47Å; L22-L24 VanDerWaalsContact C-N 3.3Å; L22-L24 PolarHBondContact O-N 2.93Å
25	L	49.5	Very low	57.2	Low	150 Å²	150	113.8 Å²	113.8	79%	0.785	63%	0.633	S	S	*	*	H	α-helix	trans	-90.3	-18.1	177.9	-76.1	159.4	0	0	0	113.5	L22	L22-L25 PolarHBondContact O-N 3.48Å
26	L	49.5	Very low	59.2	Low	132 Å²	132	107.8 Å²	107.8	69%	0.691	62%	0.621	S	S	*	*	S	Bend	trans	-100.2	3.8	176.8	-83.1	108.2	0	0	0	113.9	L22 A28	L22-L26 HydrophobicContact CG-CD1 4.03Å; L22-L26 VanDerWaalsContact O-CD1 3.22Å; L22-L26 WeakPolarHBondContact O-CD1 3.4Å; L22-L26 PolarHBondContact O-N 2.99Å; L26-A28 PolarHBondContact O-N 3.25Å
27	G	47.2	Very low	61.2	Low	65 Å²	65	102.1 Å²	102.1	67%	0.67	59%	0.593	S	S	*	*			trans	-99.3	39.4	-171.3	0	0	0	0	0	115.6	P23	P23-G27 PolarHBondContact O-N 3.4Å
28	A	45.1	Very low	63.4	Low	92 Å²	92	98.8 Å²	98.8	76%	0.76	59%	0.593	S	S	*	*			trans	-144.3	75.3	158.9	0	0	0	0	0	107.7	L26 A30	L26-A28 PolarHBondContact O-N 3.25Å; A28-A30 PolarHBondContact O-N 3.08Å
29	R	45.4	Very low	65.5	Low	244 Å²	244	96.8 Å²	96.8	92%	0.921	58%	0.578	S	S	*	*			trans	-59.3	97	154.5	-88	-179.8	168.8	173.6	-4	105	A31	R29-A31 PolarHBondContact O-N 3.38Å
30	A	50.2	Low	67.5	Low	91 Å²	91	92.9 Å²	92.9	75%	0.752	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-48.1	116.6	154.4	0	0	0	0	0	104.3	A28 A32	A28-A30 PolarHBondContact O-N 3.08Å; A30-A32 PolarHBondContact O-N 3.39Å
31	A	59.8	Low	69.6	Low	66 Å²	66	88.2 Å²	88.2	55%	0.545	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-47.7	132.5	173	0	0	0	0	0	106	R29 A33 Q156	R29-A31 PolarHBondContact O-N 3.38Å; A31-A33 PolarHBondContact O-N 2.92Å; A31-Q156 PolarHBondContact O-NE2 3.05Å
32	A	66.3	Low	71.8	Confident	93 Å²	93	86.9 Å²	86.9	77%	0.769	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-58.6	133.7	173.9	0	0	0	0	0	107.2	A30 R34 Q156	A30-A32 PolarHBondContact O-N 3.39Å; A32-R34 PolarHBondContact O-N 2.89Å; A32-Q156 PolarHBondContact O-NE2 2.99Å
33	A	76.6	Confident	74.1	Confident	63 Å²	63	88.6 Å²	88.6	52%	0.521	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-52.8	129.7	172.7	0	0	0	0	0	108.4	A31	A31-A33 PolarHBondContact O-N 2.92Å
34	R	88.6	Confident	76.4	Confident	152 Å²	152	84.8 Å²	84.8	57%	0.574	51%	0.507	S	S	*	.	S	Bend	trans	-73.3	-38.6	-177	172.4	60.4	166	172.4	-1.1	110.9	A32 E148 S157	A32-R34 PolarHBondContact O-N 2.89Å; R34-E148 IonicContact CZ-OE2 2.59Å; R34-E148 IonicContact NE-OE2 3.79Å; R34-E148 PolarHBondContact NE-OE2 3.03Å; R34-E148 IonicContact NH2-OE1 2.84Å; R34-E148 IonicContact NH2-OE2 2.85Å; R34-E148 PolarHBondContact NH2-OE2 3.07Å; R34-S157 PolarHBondContact N-OG 3.19Å; R34-S157 VanDerWaalsContact N-OG 3.11Å
35	W	95.8	Very high	78.6	Confident	34 Å²	34	82.4 Å²	82.4	13%	0.129	49%	0.492	C	S	.	.	S	Bend	trans	-112.5	160.4	-176.8	-49.8	111.1	0	0	0	111.1	P83 S157 C158 P159 D163	W35-P83 HydrophobicContact CZ2-CG 4.22Å; W35-S157 VanDerWaalsContact CD1-O 3.31Å; W35-S157 PolarHBondContact N-OG 2.64Å; W35-S157 WeakPolarHBondContact O-CB 3.29Å; W35-C158 WeakPolarHBondContact CB-O 3.48Å; W35-P159 HydrophobicContact CD2-CB 4.1Å; W35-P159 HydrophobicContact CD2-CG 3.67Å; W35-P159 HydrophobicContact CE3-CB 4Å; W35-P159 HydrophobicContact CE3-CG 3.97Å; W35-P159 HydrophobicContact CG-CB 4.44Å; W35-P159 HydrophobicContact CG-CG 4.03Å; W35-P159 HydrophobicContact CH2-CG 4.46Å; W35-P159 HydrophobicContact CZ2-CG 4.21Å; W35-P159 HydrophobicContact CZ3-CB 4.47Å; W35-P159 HydrophobicContact CZ3-CG 4.34Å; W35-D163 HydrophobicContact CE3-CB 3.88Å; W35-D163 HydrophobicContact CZ3-CB 4.26Å
36	S	95.9	Very high	81	Confident	73 Å²	73	79.1 Å²	79.1	51%	0.51	48%	0.482	S	S	.	.	S	Bend	trans	-78	-20.9	-178.5	63.1	0	0	0	0	113.7	T160 D163	S36-T160 VanDerWaalsContact OG-CG2 3.26Å; S36-T160 WeakPolarHBondContact OG-CG2 3.31Å; S36-T160 PolarHBondContact OG-OG1 3.26Å; S36-D163 WeakPolarHBondContact CB-OD2 3.39Å; S36-D163 PolarHBondContact N-OD2 2.81Å; S36-D163 PolarHBondContact OG-OD2 2.76Å
37	G	96.2	Very high	83.3	Confident	9 Å²	9	75.6 Å²	75.6	9%	0.093	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	164.5	-175.2	0	0	0	0	0	114.4	S157 C158 T160	G37-S157 VanDerWaalsContact O-CA 3.3Å; G37-S157 WeakPolarHBondContact O-CA 3.24Å; G37-C158 CarbonylContact C-O 3.54Å; G37-C158 WeakPolarHBondContact CA-O 3.32Å; G37-C158 PolarHBondContact N-O 2.97Å; G37-C158 PolarHBondContact O-N 3.48Å; G37-C158 VanDerWaalsContact O-N 3.09Å; G37-T160 VanDerWaalsContact CA-CG2 3.46Å
38	P	97	Very high	85.8	Confident	98 Å²	98	72.5 Å²	72.5	64%	0.636	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	139.1	176.5	28.4	-34.5	0	0	0	110.6	S143 C158	P38-S143 PolarHBondContact O-OG 2.89Å; P38-C158 WeakPolarHBondContact O-CB 3.47Å; P38-C158 PolarHBondContact O-N 2.78Å
39	G	97.8	Very high	88.3	Confident	13 Å²	13	70.4 Å²	70.4	13%	0.134	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-62.1	172.5	174.5	0	0	0	0	0	113.2	T41 S143	G39-T41 PolarHBondContact O-N 2.7Å; G39-S143 WeakPolarHBondContact O-CB 3.33Å
40	T	98.5	Very high	90.8	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.018	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-53.1	135.5	179.3	-60	0	0	0	0	111.1	P42 L44 S143 W144 C145 L153 D154 Y155	T40-P42 WeakPolarHBondContact O-CD 3.33Å; T40-L44 HydrophobicContact CG2-CB 4.47Å; T40-L44 HydrophobicContact CG2-CD2 4.03Å; T40-S143 CarbonylContact C-O 3.34Å; T40-S143 VanDerWaalsContact CA-O 3.3Å; T40-S143 WeakPolarHBondContact CA-O 3.44Å; T40-W144 HydrophobicContact CG2-CB 4.16Å; T40-C145 PolarHBondContact OG1-N 2.92Å; T40-C145 PolarHBondContact OG1-O 3.2Å; T40-L153 HydrophobicContact CG2-CB 4.2Å; T40-L153 HydrophobicContact CG2-CD1 4.06Å; T40-D154 WeakPolarHBondContact CB-O 3.44Å; T40-D154 PolarHBondContact N-O 2.98Å; T40-D154 PolarHBondContact OG1-O 2.04Å; T40-Y155 HydrophobicContact CG2-CD1 4.38Å; T40-Y155 HydrophobicContact CG2-CE1 4.01Å; T40-Y155 WeakPolarHBondContact O-CD1 3.48Å
41	T	98.7	Very high	93	Very high	30 Å²	30	59.2 Å²	59.2	18%	0.184	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-63.6	127.7	179.4	-52.5	0	0	0	0	110.6	G39 H43 L44 I47 L142 S143	G39-T41 PolarHBondContact O-N 2.7Å; T41-H43 PolarHBondContact O-N 3.26Å; T41-L44 WeakPolarHBondContact O-CB 3.48Å; T41-L44 PolarHBondContact O-N 3.35Å; T41-I47 HydrophobicContact CG2-CD1 4Å; T41-L142 HydrophobicContact CG2-CD2 4.07Å; T41-S143 PolarHBondContact N-O 3.24Å; T41-S143 PolarHBondContact OG1-N 2.79Å; T41-S143 PolarHBondContact OG1-O 3.14Å
42	P	98.3	Very high	94.8	Very high	79 Å²	79	56 Å²	56	51%	0.513	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	140.4	172.2	-26.7	35.6	0	0	0	111.5	T40 L44 I47	T40-P42 WeakPolarHBondContact O-CD 3.33Å; P42-L44 PolarHBondContact O-N 3.38Å; P42-I47 WeakPolarHBondContact O-CD1 3.31Å
43	H	98.1	Very high	96.1	Very high	144 Å²	144	54 Å²	54	67%	0.667	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	27	-178.1	-48.2	-71.7	0	0	0	115.1	T41 Q45 S46 I47	T41-H43 PolarHBondContact O-N 3.26Å; H43-Q45 VanDerWaalsContact C-N 3.31Å; H43-Q45 PolarHBondContact O-N 3.17Å; H43-Q45 VanDerWaalsContact O-N 3.15Å; H43-S46 PolarHBondContact O-N 2.93Å; H43-I47 PolarHBondContact O-N 3.33Å
44	L	98.6	Very high	96.9	Very high	4 Å²	4	57 Å²	57	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-39.7	-54.2	179.1	179.2	64.4	0	0	0	113.6	T40 T41 P42 S46 I47 F48 W72 F75 L79 L142 W144	T40-L44 HydrophobicContact CG2-CB 4.47Å; T40-L44 HydrophobicContact CG2-CD2 4.03Å; T41-L44 WeakPolarHBondContact O-CB 3.48Å; T41-L44 PolarHBondContact O-N 3.35Å; P42-L44 PolarHBondContact O-N 3.38Å; L44-S46 PolarHBondContact O-N 3.32Å; L44-I47 PolarHBondContact O-N 3.37Å; L44-F48 VanDerWaalsContact O-CB 3.27Å; L44-F48 WeakPolarHBondContact O-CB 3.05Å; L44-F48 PolarHBondContact O-N 2.04Å; L44-W72 HydrophobicContact CD2-CH2 4.13Å; L44-W72 HydrophobicContact CD2-CZ3 4.49Å; L44-W72 HydrophobicContact CG-CH2 4.04Å; L44-W72 HydrophobicContact CG-CZ3 4.17Å; L44-F75 HydrophobicContact CD2-CE1 4.3Å; L44-L79 HydrophobicContact CD2-CD1 4.22Å; L44-L142 HydrophobicContact CD1-CB 4.27Å; L44-L142 HydrophobicContact CD1-CD1 3.89Å; L44-W144 HydrophobicContact CD1-CE3 4.46Å; L44-W144 HydrophobicContact CD2-CB 3.65Å; L44-W144 HydrophobicContact CD2-CG 4.42Å
45	Q	98.3	Very high	97.1	Very high	95 Å²	95	50 Å²	50	44%	0.444	29%	0.291	S	S	.	.	H	α-helix	trans	-59.6	-44.9	-178.8	-178.7	170.4	6.9	0	0	112.7	H43 F48 L49 W72	H43-Q45 VanDerWaalsContact C-N 3.31Å; H43-Q45 PolarHBondContact O-N 3.17Å; H43-Q45 VanDerWaalsContact O-N 3.15Å; Q45-F48 PolarHBondContact O-N 3.32Å; Q45-L49 HydrophobicContact CG-CD1 3.82Å; Q45-L49 HydrophobicContact CG-CG 4.41Å; Q45-L49 WeakPolarHBondContact O-CB 2.99Å; Q45-L49 VanDerWaalsContact O-CG 3.28Å; Q45-L49 WeakPolarHBondContact O-CG 3.39Å; Q45-L49 PolarHBondContact O-N 2.92Å; Q45-W72 HydrophobicContact CB-CH2 3.7Å; Q45-W72 HydrophobicContact CB-CZ2 3.44Å; Q45-W72 VanDerWaalsContact CB-CZ2 3.44Å; Q45-W72 HydrophobicContact CB-CZ3 4.33Å; Q45-W72 HydrophobicContact CG-CD2 4Å; Q45-W72 VanDerWaalsContact CG-CE2 3.45Å; Q45-W72 HydrophobicContact CG-CG 4.49Å; Q45-W72 HydrophobicContact CG-CH2 4.21Å; Q45-W72 HydrophobicContact CG-CZ2 3.58Å; Q45-W72 VanDerWaalsContact NE2-NE1 3.18Å
46	S	98.6	Very high	96.7	Very high	82 Å²	82	50.2 Å²	50.2	57%	0.573	30%	0.297	S	S	*	.	H	α-helix	trans	-67.1	-41.5	-178.9	-56.8	0	0	0	0	111.6	H43 L44 G50	H43-S46 PolarHBondContact O-N 2.93Å; L44-S46 PolarHBondContact O-N 3.32Å; S46-G50 PolarHBondContact O-N 2.77Å
47	I	98.7	Very high	96.2	Very high	57 Å²	57	51 Å²	51	29%	0.292	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-48.8	176.8	-64.3	169.4	0	0	0	109.8	T41 P42 H43 L44 L49 G50 R51 L142	T41-I47 HydrophobicContact CG2-CD1 4Å; P42-I47 WeakPolarHBondContact O-CD1 3.31Å; H43-I47 PolarHBondContact O-N 3.33Å; L44-I47 PolarHBondContact O-N 3.37Å; I47-L49 PolarHBondContact O-N 3.33Å; I47-G50 PolarHBondContact O-N 2.62Å; I47-R51 HydrophobicContact CG2-CG 4.49Å; I47-R51 WeakPolarHBondContact O-CG 3.29Å; I47-R51 PolarHBondContact O-N 2.69Å; I47-L142 HydrophobicContact CG2-CD1 4.01Å; I47-L142 HydrophobicContact CG2-CD2 4.08Å
48	F	98.6	Very high	95.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57	-51.3	179	-175.1	-74.9	0	0	0	111.7	L44 Q45 G50 R51 C52 I71 W72 F75 F94 V138	L44-F48 VanDerWaalsContact O-CB 3.27Å; L44-F48 WeakPolarHBondContact O-CB 3.05Å; L44-F48 PolarHBondContact O-N 2.04Å; Q45-F48 PolarHBondContact O-N 3.32Å; F48-G50 VanDerWaalsContact C-N 3.34Å; F48-G50 PolarHBondContact O-N 3.02Å; F48-R51 PolarHBondContact O-N 3.5Å; F48-C52 WeakPolarHBondContact O-CB 3.4Å; F48-C52 PolarHBondContact O-N 3.45Å; F48-I71 HydrophobicContact CE1-CG2 3.99Å; F48-I71 HydrophobicContact CZ-CG2 3.89Å; F48-W72 HydrophobicContact CB-CE3 3.87Å; F48-W72 HydrophobicContact CB-CZ3 3.93Å; F48-W72 HydrophobicContact CD1-CB 4.07Å; F48-W72 HydrophobicContact CD1-CD2 4.38Å; F48-W72 AromaticContact CD1-CE3 3.6Å; F48-W72 HydrophobicContact CD1-CE3 3.6Å; F48-W72 HydrophobicContact CD1-CZ3 4.45Å; F48-W72 AromaticContact CD2-CE3 3.92Å; F48-W72 HydrophobicContact CD2-CE3 3.92Å; F48-W72 HydrophobicContact CD2-CZ3 4.09Å; F48-W72 HydrophobicContact CE1-CB 3.88Å; F48-W72 HydrophobicContact CE1-CE3 4.05Å; F48-W72 HydrophobicContact CE2-CE3 4.31Å; F48-W72 AromaticContact CG-CE3 3.52Å; F48-W72 HydrophobicContact CG-CE3 3.52Å; F48-W72 AromaticContact CG-CZ3 3.93Å; F48-W72 HydrophobicContact CG-CZ3 3.93Å; F48-W72 HydrophobicContact CZ-CE3 4.36Å; F48-F75 HydrophobicContact CD2-CD1 4.31Å; F48-F75 HydrophobicContact CD2-CE1 4.43Å; F48-F75 HydrophobicContact CD2-CG 4.44Å; F48-F75 HydrophobicContact CE2-CB 4.04Å; F48-F75 AromaticContact CE2-CD1 3.98Å; F48-F75 HydrophobicContact CE2-CD1 3.98Å; F48-F75 AromaticContact CE2-CD2 3.86Å; F48-F75 HydrophobicContact CE2-CD2 3.86Å; F48-F75 HydrophobicContact CE2-CE1 4.42Å; F48-F75 HydrophobicContact CE2-CE2 4.3Å; F48-F75 AromaticContact CE2-CG 3.68Å; F48-F75 HydrophobicContact CE2-CG 3.68Å; F48-F75 HydrophobicContact CZ-CB 3.92Å; F48-F75 HydrophobicContact CZ-CG 4.09Å; F48-F94 HydrophobicContact CE2-CE2 4.24Å; F48-F94 HydrophobicContact CZ-CD2 4.39Å; F48-F94 AromaticContact CZ-CE2 3.83Å; F48-F94 HydrophobicContact CZ-CE2 3.83Å; F48-V138 HydrophobicContact CD1-CB 4.46Å; F48-V138 HydrophobicContact CD2-CB 3.71Å; F48-V138 HydrophobicContact CD2-CG2 4.02Å; F48-V138 HydrophobicContact CE1-CB 4.37Å; F48-V138 HydrophobicContact CE1-CG1 4.43Å; F48-V138 HydrophobicContact CE2-CB 3.62Å; F48-V138 HydrophobicContact CE2-CG1 4.5Å; F48-V138 HydrophobicContact CE2-CG2 3.41Å; F48-V138 VanDerWaalsContact CE2-CG2 3.41Å; F48-V138 HydrophobicContact CG-CB 4.15Å; F48-V138 HydrophobicContact CZ-CB 3.97Å; F48-V138 HydrophobicContact CZ-CG1 4.41Å; F48-V138 HydrophobicContact CZ-CG2 3.71Å
49	L	98.3	Very high	94.3	Very high	48 Å²	48	50.2 Å²	50.2	25%	0.251	29%	0.287	S	S	.	.	H	α-helix	trans	-65.5	-37.9	-179.5	-71.1	173.2	0	0	0	111.9	Q45 I47 A53 C68 W72	Q45-L49 HydrophobicContact CG-CD1 3.82Å; Q45-L49 HydrophobicContact CG-CG 4.41Å; Q45-L49 WeakPolarHBondContact O-CB 2.99Å; Q45-L49 VanDerWaalsContact O-CG 3.28Å; Q45-L49 WeakPolarHBondContact O-CG 3.39Å; Q45-L49 PolarHBondContact O-N 2.92Å; I47-L49 PolarHBondContact O-N 3.33Å; L49-A53 WeakPolarHBondContact O-CB 3.38Å; L49-A53 PolarHBondContact O-N 3.41Å; L49-C68 HydrophobicContact CD2-CB 4.2Å; L49-C68 WeakPolarHBondContact CD2-O 3.49Å; L49-W72 HydrophobicContact CD2-CB 3.82Å; L49-W72 HydrophobicContact CD2-CG 4.34Å
50	G	97.8	Very high	92.5	Very high	40 Å²	40	54 Å²	54	41%	0.412	31%	0.311	S	S	.	.	H	α-helix	trans	-61.4	-50.7	175.4	0	0	0	0	0	112.3	S46 I47 F48 C52 A53 E54	S46-G50 PolarHBondContact O-N 2.77Å; I47-G50 PolarHBondContact O-N 2.62Å; F48-G50 VanDerWaalsContact C-N 3.34Å; F48-G50 PolarHBondContact O-N 3.02Å; G50-C52 PolarHBondContact O-N 3.27Å; G50-A53 PolarHBondContact O-N 3.46Å; G50-E54 PolarHBondContact O-N 3.23Å
51	R	97.2	Very high	90.5	Very high	60 Å²	60	61.9 Å²	61.9	23%	0.226	35%	0.352	C	S	.	.	H	α-helix	trans	-61	-44.5	176.7	-73	-173.4	-178.5	177.8	2	112.4	I47 F48 A53 E54 Y55 N137 V138 D140	I47-R51 HydrophobicContact CG2-CG 4.49Å; I47-R51 WeakPolarHBondContact O-CG 3.29Å; I47-R51 PolarHBondContact O-N 2.69Å; F48-R51 PolarHBondContact O-N 3.5Å; R51-A53 PolarHBondContact O-N 2.91Å; R51-E54 PolarHBondContact O-N 3.48Å; R51-Y55 WeakPolarHBondContact O-CB 3.5Å; R51-Y55 PolarHBondContact O-N 2.81Å; R51-N137 VanDerWaalsContact CD-O 3.3Å; R51-N137 WeakPolarHBondContact CD-O 3.16Å; R51-N137 PolarHBondContact NH1-O 3.47Å; R51-V138 HydrophobicContact CB-CG1 4.4Å; R51-D140 VanDerWaalsContact CZ-O 3.32Å; R51-D140 PolarHBondContact NH1-O 2.95Å; R51-D140 PolarHBondContact NH2-O 2.8Å
52	C	96.8	Very high	88.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-58.2	-49.4	175.7	-179.7	0	0	0	0	111	F48 G50 E54 Y55 T56 C68 L134 V138	F48-C52 WeakPolarHBondContact O-CB 3.4Å; F48-C52 PolarHBondContact O-N 3.45Å; G50-C52 PolarHBondContact O-N 3.27Å; C52-E54 PolarHBondContact O-N 2.65Å; C52-Y55 PolarHBondContact O-N 2.82Å; C52-T56 VanDerWaalsContact O-CG2 3.31Å; C52-T56 WeakPolarHBondContact O-CG2 3.37Å; C52-T56 PolarHBondContact O-N 2.62Å; C52-C68 HydrophobicContact CB-CB 3.76Å; C52-C68 WeakPolarHBondContact CB-SG 3.4Å; C52-C68 WeakPolarHBondContact SG-CA 3.39Å; C52-C68 WeakPolarHBondContact SG-CB 3.37Å; C52-C68 CovalentContact SG-SG 2.04Å; C52-C68 PolarHBondContact SG-SG 2.9Å; C52-L134 HydrophobicContact CB-CD1 4.37Å; C52-V138 HydrophobicContact CB-CG1 3.94Å
53	A	94.3	Very high	86.6	Confident	49 Å²	49	66.5 Å²	66.5	41%	0.405	38%	0.376	S	S	.	.	H	α-helix	trans	-60.2	-46	-179.8	0	0	0	0	0	111.9	L49 G50 R51 Y55 T56	L49-A53 WeakPolarHBondContact O-CB 3.38Å; L49-A53 PolarHBondContact O-N 3.41Å; G50-A53 PolarHBondContact O-N 3.46Å; R51-A53 PolarHBondContact O-N 2.91Å; A53-Y55 PolarHBondContact O-N 3.08Å; A53-T56 PolarHBondContact O-N 3.06Å; A53-T56 PolarHBondContact O-OG1 3.25Å
54	E	92.6	Very high	85	Confident	127 Å²	127	62.2 Å²	62.2	59%	0.593	37%	0.37	S	S	*	.	H	α-helix	trans	-58.9	-48.3	175.2	-176.4	173.8	-161	0	0	111.5	G50 R51 C52 T56 T57	G50-E54 PolarHBondContact O-N 3.23Å; R51-E54 PolarHBondContact O-N 3.48Å; C52-E54 PolarHBondContact O-N 2.65Å; E54-T56 VanDerWaalsContact C-N 3.3Å; E54-T56 PolarHBondContact O-N 3.27Å; E54-T57 WeakPolarHBondContact O-CB 3.34Å; E54-T57 PolarHBondContact O-N 3.13Å; E54-T57 PolarHBondContact O-OG1 3.35Å
55	Y	92.3	Very high	84	Confident	4 Å²	4	69.9 Å²	69.9	2%	0.016	41%	0.411	C	S	.	.	H	α-helix	trans	-62.4	-36.1	-179.9	-163.6	-83.7	0	0	0	112.7	R51 C52 A53 T57 L58 L59 H100 T124 D132 V133 L134 N137	R51-Y55 WeakPolarHBondContact O-CB 3.5Å; R51-Y55 PolarHBondContact O-N 2.81Å; C52-Y55 PolarHBondContact O-N 2.82Å; A53-Y55 PolarHBondContact O-N 3.08Å; Y55-T57 PolarHBondContact O-N 3.46Å; Y55-T57 VanDerWaalsContact O-N 3.16Å; Y55-L58 HydrophobicContact CD2-CD1 4.21Å; Y55-L58 HydrophobicContact CE2-CD1 4.42Å; Y55-L58 WeakPolarHBondContact O-CB 3.35Å; Y55-L58 PolarHBondContact O-N 3.21Å; Y55-L59 HydrophobicContact CD1-CD1 3.71Å; Y55-L59 HydrophobicContact CD1-CG 3.77Å; Y55-L59 HydrophobicContact CE1-CD1 3.68Å; Y55-L59 HydrophobicContact CE1-CD2 3.83Å; Y55-L59 HydrophobicContact CE1-CG 3.57Å; Y55-L59 PolarHBondContact O-N 2.95Å; Y55-H100 AromaticContact CE1-NE2 3.48Å; Y55-H100 WeakPolarHBondContact CE1-NE2 3.36Å; Y55-H100 AromaticContact CZ-NE2 3.79Å; Y55-H100 PolarHBondContact OH-CE1 3.49Å; Y55-H100 VanDerWaalsContact OH-CE1 3.25Å; Y55-H100 PolarHBondContact OH-NE2 2.81Å; Y55-T124 HydrophobicContact CE2-CG2 4.35Å; Y55-D132 WeakPolarHBondContact CE2-O 3.46Å; Y55-D132 VanDerWaalsContact CZ-O 3.28Å; Y55-D132 PolarHBondContact OH-O 2.84Å; Y55-V133 WeakPolarHBondContact OH-CA 3.43Å; Y55-L134 HydrophobicContact CD1-CB 3.65Å; Y55-L134 HydrophobicContact CD1-CD1 3.79Å; Y55-L134 HydrophobicContact CD1-CG 4.19Å; Y55-L134 HydrophobicContact CE1-CB 3.65Å; Y55-L134 HydrophobicContact CG-CB 4.36Å; Y55-L134 HydrophobicContact CG-CD1 3.97Å; Y55-N137 HydrophobicContact CD2-CB 4.25Å
56	T	87.6	Confident	83.7	Confident	39 Å²	39	67 Å²	67	24%	0.239	40%	0.397	C	S	.	.	H	α-helix	trans	-61.5	-24.2	175.9	62.1	0	0	0	0	113.3	C52 A53 E54 L58 L59 S60 K66	C52-T56 VanDerWaalsContact O-CG2 3.31Å; C52-T56 WeakPolarHBondContact O-CG2 3.37Å; C52-T56 PolarHBondContact O-N 2.62Å; A53-T56 PolarHBondContact O-N 3.06Å; A53-T56 PolarHBondContact O-OG1 3.25Å; E54-T56 VanDerWaalsContact C-N 3.3Å; E54-T56 PolarHBondContact O-N 3.27Å; T56-L58 VanDerWaalsContact C-N 3.34Å; T56-L59 PolarHBondContact O-N 2.91Å; T56-S60 PolarHBondContact O-N 3.46Å; T56-K66 HydrophobicContact CG2-CB 3.71Å
57	T	85.3	Confident	83.5	Confident	89 Å²	89	67.8 Å²	67.8	55%	0.546	40%	0.395	S	S	.	.	H	α-helix	trans	-68.5	-33.8	173.6	75.1	0	0	0	0	112	E54 Y55 S60	E54-T57 WeakPolarHBondContact O-CB 3.34Å; E54-T57 PolarHBondContact O-N 3.13Å; E54-T57 PolarHBondContact O-OG1 3.35Å; Y55-T57 PolarHBondContact O-N 3.46Å; Y55-T57 VanDerWaalsContact O-N 3.16Å; T57-S60 VanDerWaalsContact O-CB 3.29Å; T57-S60 WeakPolarHBondContact O-CB 3.28Å; T57-S60 PolarHBondContact O-N 3.12Å; T57-S60 PolarHBondContact O-OG 3.14Å
58	L	79.4	Confident	83.4	Confident	71 Å²	71	66 Å²	66	37%	0.372	39%	0.387	S	S	.	.	H	α-helix	trans	-70.8	-35.8	174.7	-56.6	175.8	0	0	0	111.5	Y55 T56 S60	Y55-L58 HydrophobicContact CD2-CD1 4.21Å; Y55-L58 HydrophobicContact CE2-CD1 4.42Å; Y55-L58 WeakPolarHBondContact O-CB 3.35Å; Y55-L58 PolarHBondContact O-N 3.21Å; T56-L58 VanDerWaalsContact C-N 3.34Å; L58-S60 PolarHBondContact O-N 3.15Å
59	L	74.5	Confident	83.4	Confident	21 Å²	21	70.1 Å²	70.1	11%	0.11	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-77	-0.7	176.3	-67.4	180	0	0	0	114	Y55 T56 L61 Q62 K66 L134	Y55-L59 HydrophobicContact CD1-CD1 3.71Å; Y55-L59 HydrophobicContact CD1-CG 3.77Å; Y55-L59 HydrophobicContact CE1-CD1 3.68Å; Y55-L59 HydrophobicContact CE1-CD2 3.83Å; Y55-L59 HydrophobicContact CE1-CG 3.57Å; Y55-L59 PolarHBondContact O-N 2.95Å; T56-L59 PolarHBondContact O-N 2.91Å; L59-L61 PolarHBondContact O-N 3.36Å; L59-Q62 HydrophobicContact CD2-CB 4.49Å; L59-Q62 HydrophobicContact CD2-CG 4.2Å; L59-Q62 WeakPolarHBondContact O-CB 3.38Å; L59-Q62 PolarHBondContact O-N 3.27Å; L59-K66 HydrophobicContact CD1-CG 4.14Å; L59-L134 HydrophobicContact CD1-CD2 4.3Å
60	S	59.9	Low	83.4	Confident	93 Å²	93	69.5 Å²	69.5	65%	0.65	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-58.9	-12.6	-175.1	58.9	0	0	0	0	114.7	T56 T57 L58	T56-S60 PolarHBondContact O-N 3.46Å; T57-S60 VanDerWaalsContact O-CB 3.29Å; T57-S60 WeakPolarHBondContact O-CB 3.28Å; T57-S60 PolarHBondContact O-N 3.12Å; T57-S60 PolarHBondContact O-OG 3.14Å; L58-S60 PolarHBondContact O-N 3.15Å
61	L	56.8	Low	83.4	Confident	167 Å²	167	67.7 Å²	67.7	87%	0.874	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-95.8	-5.2	173.6	-58.1	177.6	0	0	0	114.3	L59	L59-L61 PolarHBondContact O-N 3.36Å
62	Q	63.2	Low	83.5	Confident	82 Å²	82	65.3 Å²	65.3	38%	0.383	39%	0.386	S	S	.	.	S	Bend	trans	-100	140.2	-179	-71.9	-95.9	-18.7	0	0	111	L59 G64 S101	L59-Q62 HydrophobicContact CD2-CB 4.49Å; L59-Q62 HydrophobicContact CD2-CG 4.2Å; L59-Q62 WeakPolarHBondContact O-CB 3.38Å; L59-Q62 PolarHBondContact O-N 3.27Å; Q62-G64 PolarHBondContact O-N 2.74Å; Q62-S101 PolarHBondContact NE2-OG 3.09Å; Q62-S101 PolarHBondContact OE1-OG 2.85Å; Q62-S101 VanDerWaalsContact OE1-OG 3.04Å
63	P	52.8	Low	83.6	Confident	125 Å²	125	69.3 Å²	69.3	81%	0.812	41%	0.405	S	S	*	.	S	Bend	trans	-64.4	127.6	174.9	-17.6	29.7	0	0	0	111.8
64	G	63.5	Low	83.8	Confident	53 Å²	53	67.2 Å²	67.2	55%	0.546	39%	0.388	S	S	.	.	S	Bend	trans	116.8	103.6	170.4	0	0	0	0	0	113.4	Q62 K66	Q62-G64 PolarHBondContact O-N 2.74Å; G64-K66 PolarHBondContact O-N 3.41Å
65	N	78.2	Confident	84	Confident	166 Å²	166	61.2 Å²	61.2	89%	0.888	36%	0.36	S	S	*	.			trans	-62.2	128.6	174.9	-168.3	11.8	0	0	0	110.2
66	K	91.3	Very high	84.3	Confident	35 Å²	35	64.1 Å²	64.1	15%	0.152	37%	0.372	C	S	.	.			trans	-95.5	121.8	178.6	-69.9	-69.6	-171.7	-75.4	0	109.2	T56 L59 G64 C68 I71 L97 S98 R99 L134	T56-K66 HydrophobicContact CG2-CB 3.71Å; L59-K66 HydrophobicContact CD1-CG 4.14Å; G64-K66 PolarHBondContact O-N 3.41Å; K66-C68 PolarHBondContact O-N 2.99Å; K66-I71 HydrophobicContact CB-CD1 4.18Å; K66-I71 HydrophobicContact CD-CD1 4.27Å; K66-L97 VanDerWaalsContact CD-O 3.24Å; K66-L97 WeakPolarHBondContact CD-O 3.31Å; K66-S98 VanDerWaalsContact CE-O 3.29Å; K66-S98 WeakPolarHBondContact CE-O 3.19Å; K66-R99 WeakPolarHBondContact CE-O 3.15Å; K66-R99 PolarHBondContact NZ-O 3.44Å; K66-L134 HydrophobicContact CB-CD2 4.26Å; K66-L134 HydrophobicContact CD-CD2 3.92Å; K66-L134 HydrophobicContact CG-CD2 3.87Å
67	N	94.9	Very high	84.6	Confident	97 Å²	97	65.7 Å²	65.7	52%	0.519	38%	0.382	S	S	.	.			trans	-91	96.6	178	-177	-21.7	0	0	0	109.8	T69 A70 I71	N67-T69 PolarHBondContact O-N 3.16Å; N67-T69 WeakPolarHBondContact OD1-CB 3.48Å; N67-T69 PolarHBondContact OD1-N 3.45Å; N67-T69 VanDerWaalsContact OD1-N 3.14Å; N67-A70 HydrophobicContact CB-CB 3.92Å; N67-A70 PolarHBondContact O-N 3.25Å; N67-A70 VanDerWaalsContact O-N 3.08Å; N67-A70 PolarHBondContact OD1-N 3.39Å; N67-I71 WeakPolarHBondContact O-CG1 3.45Å; N67-I71 PolarHBondContact O-N 2.94Å
68	C	97	Very high	85.1	Confident	20 Å²	20	61.6 Å²	61.6	14%	0.135	36%	0.357	C	S	.	.	H	α-helix	trans	-58.3	-34.1	-178.1	-68.6	0	0	0	0	113.8	L49 C52 K66 I71 W72	L49-C68 HydrophobicContact CD2-CB 4.2Å; L49-C68 WeakPolarHBondContact CD2-O 3.49Å; C52-C68 HydrophobicContact CB-CB 3.76Å; C52-C68 WeakPolarHBondContact CB-SG 3.4Å; C52-C68 WeakPolarHBondContact SG-CA 3.39Å; C52-C68 WeakPolarHBondContact SG-CB 3.37Å; C52-C68 CovalentContact SG-SG 2.04Å; C52-C68 PolarHBondContact SG-SG 2.9Å; K66-C68 PolarHBondContact O-N 2.99Å; C68-I71 PolarHBondContact O-N 3.44Å; C68-W72 WeakPolarHBondContact O-CB 3.46Å; C68-W72 PolarHBondContact O-N 3.47Å
69	T	97.8	Very high	85.9	Confident	87 Å²	87	58.9 Å²	58.9	53%	0.534	34%	0.343	S	S	.	.	H	α-helix	trans	-66	-45.4	175	-53.8	0	0	0	0	111	N67 I71 W72 E73	N67-T69 PolarHBondContact O-N 3.16Å; N67-T69 WeakPolarHBondContact OD1-CB 3.48Å; N67-T69 PolarHBondContact OD1-N 3.45Å; N67-T69 VanDerWaalsContact OD1-N 3.14Å; T69-I71 VanDerWaalsContact C-N 3.34Å; T69-I71 PolarHBondContact O-N 2.93Å; T69-W72 PolarHBondContact O-N 3.28Å; T69-E73 WeakPolarHBondContact O-CG 3.3Å; T69-E73 PolarHBondContact O-N 3.47Å
70	A	98.1	Very high	86.8	Confident	35 Å²	35	63.2 Å²	63.2	29%	0.289	37%	0.366	S	S	.	.	H	α-helix	trans	-65.4	-38	177.3	0	0	0	0	0	112.3	N67 E73 A74 L97	N67-A70 HydrophobicContact CB-CB 3.92Å; N67-A70 PolarHBondContact O-N 3.25Å; N67-A70 VanDerWaalsContact O-N 3.08Å; N67-A70 PolarHBondContact OD1-N 3.39Å; A70-E73 PolarHBondContact O-N 2.96Å; A70-A74 WeakPolarHBondContact O-CB 3.45Å; A70-A74 PolarHBondContact O-N 3.49Å; A70-L97 HydrophobicContact CB-CD1 4.28Å
71	I	98.4	Very high	88.5	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-44.5	175.4	-66.9	166.1	0	0	0	110.4	F48 K66 N67 C68 T69 A74 F75 F94 L97 L134	F48-I71 HydrophobicContact CE1-CG2 3.99Å; F48-I71 HydrophobicContact CZ-CG2 3.89Å; K66-I71 HydrophobicContact CB-CD1 4.18Å; K66-I71 HydrophobicContact CD-CD1 4.27Å; N67-I71 WeakPolarHBondContact O-CG1 3.45Å; N67-I71 PolarHBondContact O-N 2.94Å; C68-I71 PolarHBondContact O-N 3.44Å; T69-I71 VanDerWaalsContact C-N 3.34Å; T69-I71 PolarHBondContact O-N 2.93Å; I71-A74 PolarHBondContact O-N 3.49Å; I71-F75 WeakPolarHBondContact O-CB 3.23Å; I71-F75 PolarHBondContact O-N 2.95Å; I71-F94 HydrophobicContact CG2-CD2 3.72Å; I71-F94 HydrophobicContact CG2-CE2 3.67Å; I71-L97 HydrophobicContact CG1-CB 3.81Å; I71-L134 HydrophobicContact CD1-CD2 4.07Å
72	W	98.5	Very high	90.4	Very high	10 Å²	10	56.4 Å²	56.4	4%	0.038	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-46.2	174.7	168.7	-104.5	0	0	0	112.3	L44 Q45 F48 L49 C68 T69 A74 F75 K76 L79	L44-W72 HydrophobicContact CD2-CH2 4.13Å; L44-W72 HydrophobicContact CD2-CZ3 4.49Å; L44-W72 HydrophobicContact CG-CH2 4.04Å; L44-W72 HydrophobicContact CG-CZ3 4.17Å; Q45-W72 HydrophobicContact CB-CH2 3.7Å; Q45-W72 HydrophobicContact CB-CZ2 3.44Å; Q45-W72 VanDerWaalsContact CB-CZ2 3.44Å; Q45-W72 HydrophobicContact CB-CZ3 4.33Å; Q45-W72 HydrophobicContact CG-CD2 4Å; Q45-W72 VanDerWaalsContact CG-CE2 3.45Å; Q45-W72 HydrophobicContact CG-CG 4.49Å; Q45-W72 HydrophobicContact CG-CH2 4.21Å; Q45-W72 HydrophobicContact CG-CZ2 3.58Å; Q45-W72 VanDerWaalsContact NE2-NE1 3.18Å; F48-W72 HydrophobicContact CB-CE3 3.87Å; F48-W72 HydrophobicContact CB-CZ3 3.93Å; F48-W72 HydrophobicContact CD1-CB 4.07Å; F48-W72 HydrophobicContact CD1-CD2 4.38Å; F48-W72 AromaticContact CD1-CE3 3.6Å; F48-W72 HydrophobicContact CD1-CE3 3.6Å; F48-W72 HydrophobicContact CD1-CZ3 4.45Å; F48-W72 AromaticContact CD2-CE3 3.92Å; F48-W72 HydrophobicContact CD2-CE3 3.92Å; F48-W72 HydrophobicContact CD2-CZ3 4.09Å; F48-W72 HydrophobicContact CE1-CB 3.88Å; F48-W72 HydrophobicContact CE1-CE3 4.05Å; F48-W72 HydrophobicContact CE2-CE3 4.31Å; F48-W72 AromaticContact CG-CE3 3.52Å; F48-W72 HydrophobicContact CG-CE3 3.52Å; F48-W72 AromaticContact CG-CZ3 3.93Å; F48-W72 HydrophobicContact CG-CZ3 3.93Å; F48-W72 HydrophobicContact CZ-CE3 4.36Å; L49-W72 HydrophobicContact CD2-CB 3.82Å; L49-W72 HydrophobicContact CD2-CG 4.34Å; C68-W72 WeakPolarHBondContact O-CB 3.46Å; C68-W72 PolarHBondContact O-N 3.47Å; T69-W72 PolarHBondContact O-N 3.28Å; W72-A74 VanDerWaalsContact C-N 3.28Å; W72-A74 PolarHBondContact O-N 2.9Å; W72-F75 AromaticContact CE3-CD1 3.68Å; W72-F75 HydrophobicContact CE3-CD1 3.68Å; W72-F75 HydrophobicContact CE3-CE1 4.21Å; W72-F75 HydrophobicContact CH2-CD1 4.22Å; W72-F75 HydrophobicContact CH2-CE1 4.13Å; W72-F75 AromaticContact CZ3-CD1 3.46Å; W72-F75 HydrophobicContact CZ3-CD1 3.46Å; W72-F75 VanDerWaalsContact CZ3-CD1 3.46Å; W72-F75 AromaticContact CZ3-CE1 3.53Å; W72-F75 HydrophobicContact CZ3-CE1 3.53Å; W72-F75 WeakPolarHBondContact O-CB 3.34Å; W72-F75 PolarHBondContact O-N 3.41Å; W72-F75 VanDerWaalsContact O-N 3.15Å; W72-K76 HydrophobicContact CZ2-CB 4.14Å; W72-K76 HydrophobicContact CZ2-CD 4.28Å; W72-K76 WeakPolarHBondContact O-CG 3.23Å; W72-K76 PolarHBondContact O-N 3.01Å; W72-L79 HydrophobicContact CH2-CD1 4.33Å
73	E	98.4	Very high	92	Very high	84 Å²	84	52.6 Å²	52.6	39%	0.393	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-35.7	179.2	-70.6	-56	140.7	0	0	112	T69 A70 K76 V77	T69-E73 WeakPolarHBondContact O-CG 3.3Å; T69-E73 PolarHBondContact O-N 3.47Å; A70-E73 PolarHBondContact O-N 2.96Å; E73-K76 WeakPolarHBondContact O-CG 3.35Å; E73-K76 IonicContact OE1-NZ 3.43Å; E73-K76 PolarHBondContact OE1-NZ 2.96Å; E73-K76 WeakPolarHBondContact OE2-CD 3.43Å; E73-K76 WeakPolarHBondContact OE2-CE 3.28Å; E73-K76 IonicContact OE2-NZ 3.33Å; E73-K76 PolarHBondContact OE2-NZ 2.79Å; E73-V77 WeakPolarHBondContact O-CG2 3.31Å
74	A	98.4	Very high	94.1	Very high	6 Å²	6	48.3 Å²	48.3	5%	0.05	28%	0.275	C	S	.	.	H	α-helix	trans	-69.6	-38.6	172.8	0	0	0	0	0	112.8	A70 I71 W72 L93 F94 L97	A70-A74 WeakPolarHBondContact O-CB 3.45Å; A70-A74 PolarHBondContact O-N 3.49Å; I71-A74 PolarHBondContact O-N 3.49Å; W72-A74 VanDerWaalsContact C-N 3.28Å; W72-A74 PolarHBondContact O-N 2.9Å; A74-L93 HydrophobicContact CB-CB 4.28Å; A74-L93 HydrophobicContact CB-CD2 3.99Å; A74-L93 HydrophobicContact CB-CG 3.8Å; A74-F94 HydrophobicContact CB-CB 4.14Å; A74-L97 HydrophobicContact CB-CD1 3.78Å
75	F	98.5	Very high	95.7	Very high	1 Å²	1	49 Å²	49	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-48.1	176.5	165.9	-94.3	0	0	0	111.9	L44 F48 I71 W72 V77 V78 L79 Y91 F94 W144 Y172	L44-F75 HydrophobicContact CD2-CE1 4.3Å; F48-F75 HydrophobicContact CD2-CD1 4.31Å; F48-F75 HydrophobicContact CD2-CE1 4.43Å; F48-F75 HydrophobicContact CD2-CG 4.44Å; F48-F75 HydrophobicContact CE2-CB 4.04Å; F48-F75 AromaticContact CE2-CD1 3.98Å; F48-F75 HydrophobicContact CE2-CD1 3.98Å; F48-F75 AromaticContact CE2-CD2 3.86Å; F48-F75 HydrophobicContact CE2-CD2 3.86Å; F48-F75 HydrophobicContact CE2-CE1 4.42Å; F48-F75 HydrophobicContact CE2-CE2 4.3Å; F48-F75 AromaticContact CE2-CG 3.68Å; F48-F75 HydrophobicContact CE2-CG 3.68Å; F48-F75 HydrophobicContact CZ-CB 3.92Å; F48-F75 HydrophobicContact CZ-CG 4.09Å; I71-F75 WeakPolarHBondContact O-CB 3.23Å; I71-F75 PolarHBondContact O-N 2.95Å; W72-F75 AromaticContact CE3-CD1 3.68Å; W72-F75 HydrophobicContact CE3-CD1 3.68Å; W72-F75 HydrophobicContact CE3-CE1 4.21Å; W72-F75 HydrophobicContact CH2-CD1 4.22Å; W72-F75 HydrophobicContact CH2-CE1 4.13Å; W72-F75 AromaticContact CZ3-CD1 3.46Å; W72-F75 HydrophobicContact CZ3-CD1 3.46Å; W72-F75 VanDerWaalsContact CZ3-CD1 3.46Å; W72-F75 AromaticContact CZ3-CE1 3.53Å; W72-F75 HydrophobicContact CZ3-CE1 3.53Å; W72-F75 WeakPolarHBondContact O-CB 3.34Å; W72-F75 PolarHBondContact O-N 3.41Å; W72-F75 VanDerWaalsContact O-N 3.15Å; F75-V77 PolarHBondContact O-N 2.96Å; F75-V77 VanDerWaalsContact O-N 3.12Å; F75-V78 VanDerWaalsContact O-CG2 3.23Å; F75-V78 WeakPolarHBondContact O-CG2 3.39Å; F75-V78 PolarHBondContact O-N 3.15Å; F75-L79 HydrophobicContact CE1-CD1 4.33Å; F75-Y91 HydrophobicContact CD2-CD1 4.45Å; F75-Y91 AromaticContact CD2-CE1 3.91Å; F75-Y91 HydrophobicContact CD2-CE1 3.91Å; F75-Y91 HydrophobicContact CE2-CE1 4.1Å; F75-F94 HydrophobicContact CB-CD2 3.82Å; F75-F94 HydrophobicContact CB-CE2 4.38Å; F75-F94 HydrophobicContact CB-CG 4.31Å; F75-W144 HydrophobicContact CE2-CD2 4.2Å; F75-W144 AromaticContact CE2-CE2 3.62Å; F75-W144 HydrophobicContact CE2-CH2 4.24Å; F75-W144 AromaticContact CE2-CZ2 3.63Å; F75-W144 HydrophobicContact CE2-CZ2 3.63Å; F75-W144 AromaticContact CE2-NE1 3.84Å; F75-W144 AromaticContact CZ-CD1 3.94Å; F75-W144 AromaticContact CZ-CD2 3.65Å; F75-W144 HydrophobicContact CZ-CD2 3.65Å; F75-W144 AromaticContact CZ-CE2 3.53Å; F75-W144 HydrophobicContact CZ-CE3 4.2Å; F75-W144 AromaticContact CZ-CG 3.93Å; F75-W144 HydrophobicContact CZ-CG 3.93Å; F75-W144 AromaticContact CZ-CZ2 3.98Å; F75-W144 HydrophobicContact CZ-CZ2 3.98Å; F75-W144 AromaticContact CZ-NE1 3.67Å; F75-Y172 HydrophobicContact CD2-CD2 4.25Å; F75-Y172 AromaticContact CD2-CE2 3.94Å; F75-Y172 HydrophobicContact CD2-CE2 3.94Å; F75-Y172 HydrophobicContact CE2-CD2 4.03Å; F75-Y172 AromaticContact CE2-CE2 3.86Å; F75-Y172 HydrophobicContact CE2-CE2 3.86Å
76	K	97.2	Very high	96.7	Very high	64 Å²	64	41.1 Å²	41.1	28%	0.278	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-72.3	-7.6	-170.1	69.2	179.2	-107.7	-141.3	0	114.9	W72 E73 V78 L79	W72-K76 HydrophobicContact CZ2-CB 4.14Å; W72-K76 HydrophobicContact CZ2-CD 4.28Å; W72-K76 WeakPolarHBondContact O-CG 3.23Å; W72-K76 PolarHBondContact O-N 3.01Å; E73-K76 WeakPolarHBondContact O-CG 3.35Å; E73-K76 IonicContact OE1-NZ 3.43Å; E73-K76 PolarHBondContact OE1-NZ 2.96Å; E73-K76 WeakPolarHBondContact OE2-CD 3.43Å; E73-K76 WeakPolarHBondContact OE2-CE 3.28Å; E73-K76 IonicContact OE2-NZ 3.33Å; E73-K76 PolarHBondContact OE2-NZ 2.79Å; K76-V78 PolarHBondContact O-N 3.45Å; K76-V78 VanDerWaalsContact O-N 3.14Å; K76-L79 HydrophobicContact CB-CD1 3.85Å; K76-L79 HydrophobicContact CB-CG 4.29Å; K76-L79 WeakPolarHBondContact O-CA 3.43Å; K76-L79 VanDerWaalsContact O-CB 3.23Å; K76-L79 WeakPolarHBondContact O-CB 3.27Å; K76-L79 PolarHBondContact O-N 3.03Å
77	V	94.9	Very high	97	Very high	72 Å²	72	43 Å²	43	44%	0.436	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-54.1	-32.9	174.4	176	0	0	0	0	111.3	E73 F75 L79 D80	E73-V77 WeakPolarHBondContact O-CG2 3.31Å; F75-V77 PolarHBondContact O-N 2.96Å; F75-V77 VanDerWaalsContact O-N 3.12Å; V77-L79 PolarHBondContact O-N 3.22Å; V77-D80 PolarHBondContact O-N 3.08Å
78	V	94.8	Very high	97.2	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-69.4	-21.2	176.8	-58.2	0	0	0	0	113.5	F75 K76 D80 K81 V86 D90 Y91	F75-V78 VanDerWaalsContact O-CG2 3.23Å; F75-V78 WeakPolarHBondContact O-CG2 3.39Å; F75-V78 PolarHBondContact O-N 3.15Å; K76-V78 PolarHBondContact O-N 3.45Å; K76-V78 VanDerWaalsContact O-N 3.14Å; V78-D80 PolarHBondContact O-N 3.2Å; V78-K81 WeakPolarHBondContact O-CB 3.44Å; V78-K81 PolarHBondContact O-N 3.37Å; V78-V86 HydrophobicContact CB-CG1 3.91Å; V78-V86 HydrophobicContact CB-CG2 4.33Å; V78-V86 HydrophobicContact CG1-CG1 3.72Å; V78-D90 HydrophobicContact CG1-CB 3.85Å; V78-Y91 HydrophobicContact CB-CE1 4.23Å; V78-Y91 HydrophobicContact CG1-CD1 4.09Å; V78-Y91 HydrophobicContact CG1-CD2 4.37Å; V78-Y91 HydrophobicContact CG1-CE1 3.61Å; V78-Y91 HydrophobicContact CG1-CE2 3.94Å; V78-Y91 HydrophobicContact CG1-CG 4.46Å; V78-Y91 HydrophobicContact CG2-CE1 3.65Å; V78-Y91 WeakPolarHBondContact CG2-OH 3.32Å
79	L	95.9	Very high	97.3	Very high	15 Å²	15	41.7 Å²	41.7	8%	0.079	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-77.7	-10.5	178.5	-52	179.7	0	0	0	111.8	L44 W72 F75 K76 V77 W144 R146 L153	L44-L79 HydrophobicContact CD2-CD1 4.22Å; W72-L79 HydrophobicContact CH2-CD1 4.33Å; F75-L79 HydrophobicContact CE1-CD1 4.33Å; K76-L79 HydrophobicContact CB-CD1 3.85Å; K76-L79 HydrophobicContact CB-CG 4.29Å; K76-L79 WeakPolarHBondContact O-CA 3.43Å; K76-L79 VanDerWaalsContact O-CB 3.23Å; K76-L79 WeakPolarHBondContact O-CB 3.27Å; K76-L79 PolarHBondContact O-N 3.03Å; V77-L79 PolarHBondContact O-N 3.22Å; L79-W144 HydrophobicContact CD2-CB 3.98Å; L79-W144 HydrophobicContact CD2-CG 4.08Å; L79-R146 WeakPolarHBondContact O-CB 3.39Å; L79-R146 WeakPolarHBondContact O-CD 3.28Å; L79-R146 WeakPolarHBondContact O-CG 3.42Å; L79-L153 HydrophobicContact CB-CD2 3.94Å; L79-L153 HydrophobicContact CD1-CD2 3.91Å; L79-L153 HydrophobicContact CD2-CD2 3.94Å; L79-L153 HydrophobicContact CG-CD2 4.13Å
80	D	94.7	Very high	97.3	Very high	112 Å²	112	39.3 Å²	39.3	60%	0.599	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-93.3	-1.6	171.5	-65.9	-42	0	0	0	112.4	V77 V78 R146	V77-D80 PolarHBondContact O-N 3.08Å; V78-D80 PolarHBondContact O-N 3.2Å; D80-R146 PolarHBondContact O-NH1 3.35Å
81	K	96.1	Very high	97.3	Very high	64 Å²	64	37.7 Å²	37.7	28%	0.278	21%	0.209	S	C	.	.	S	Bend	trans	-95.4	161.7	-179.9	-64.7	-169.7	171.8	-144	0	112.7	V78 V86 D90 R146	V78-K81 WeakPolarHBondContact O-CB 3.44Å; V78-K81 PolarHBondContact O-N 3.37Å; K81-V86 HydrophobicContact CB-CG2 3.99Å; K81-V86 HydrophobicContact CD-CG2 4.35Å; K81-D90 WeakPolarHBondContact CE-OD2 3.32Å; K81-D90 IonicContact NZ-OD1 3.78Å; K81-D90 PolarHBondContact NZ-OD1 3.17Å; K81-D90 IonicContact NZ-OD2 3.26Å; K81-D90 PolarHBondContact NZ-OD2 3.49Å; K81-R146 WeakPolarHBondContact O-CB 3.34Å; K81-R146 WeakPolarHBondContact O-CD 3.43Å; K81-R146 PolarHBondContact O-NE 3.06Å; K81-R146 PolarHBondContact O-NH1 3.43Å
82	D	96.2	Very high	97.3	Very high	52 Å²	52	42.3 Å²	42.3	28%	0.278	23%	0.234	S	C	.	.			trans	-58.5	133.7	166.8	170	-91.4	0	0	0	109.8	C84 S85	D82-C84 PolarHBondContact O-N 3.29Å; D82-C84 WeakPolarHBondContact OD1-CA 3.37Å; D82-C84 PolarHBondContact OD1-N 3.5Å; D82-S85 PolarHBondContact O-N 3.14Å; D82-S85 PolarHBondContact OD1-N 3.32Å; D82-S85 PolarHBondContact OD1-OG 2.97Å
83	P	96.7	Very high	97.3	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.013	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-12.2	-171.5	25.6	-36.3	0	0	0	114.8	W35 C145 R146 E148 P159 N167	W35-P83 HydrophobicContact CZ2-CG 4.22Å; P83-C145 HydrophobicContact CB-CB 4.2Å; P83-R146 WeakPolarHBondContact CB-O 3.3Å; P83-R146 WeakPolarHBondContact CG-O 3.4Å; P83-E148 HydrophobicContact CG-CB 4.42Å; P83-P159 HydrophobicContact CB-CG 3.95Å; P83-N167 WeakPolarHBondContact O-CA 3.5Å
84	C	97.1	Very high	97.3	Very high	35 Å²	35	42.6 Å²	42.6	24%	0.236	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	14.6	174.8	-73.8	0	0	0	0	113.6	D82 C164 N166	D82-C84 PolarHBondContact O-N 3.29Å; D82-C84 WeakPolarHBondContact OD1-CA 3.37Å; D82-C84 PolarHBondContact OD1-N 3.5Å; C84-C164 WeakPolarHBondContact CA-SG 3.28Å; C84-C164 HydrophobicContact CB-CB 3.65Å; C84-C164 WeakPolarHBondContact CB-SG 3.47Å; C84-C164 WeakPolarHBondContact SG-CB 3.3Å; C84-C164 CovalentContact SG-SG 2.04Å; C84-C164 PolarHBondContact SG-SG 3.17Å; C84-N166 CarbonylContact C-O 3.55Å; C84-N166 WeakPolarHBondContact CA-O 3.46Å; C84-N166 WeakPolarHBondContact O-CB 3Å
85	S	97.4	Very high	97.3	Very high	68 Å²	68	42.7 Å²	42.7	48%	0.476	24%	0.238	S	C	.	.			trans	-126.9	30.4	-178	-53.4	0	0	0	0	112.5	D82 N166	D82-S85 PolarHBondContact O-N 3.14Å; D82-S85 PolarHBondContact OD1-N 3.32Å; D82-S85 PolarHBondContact OD1-OG 2.97Å; S85-N166 PolarHBondContact N-O 2.97Å
86	V	98.4	Very high	97.3	Very high	1 Å²	1	48 Å²	48	1%	0.006	27%	0.266	C	S	.	.			trans	-99.8	124.8	176.8	-177.2	0	0	0	0	109.3	V78 K81 D90 Y91 N166 A168 S171	V78-V86 HydrophobicContact CB-CG1 3.91Å; V78-V86 HydrophobicContact CB-CG2 4.33Å; V78-V86 HydrophobicContact CG1-CG1 3.72Å; K81-V86 HydrophobicContact CB-CG2 3.99Å; K81-V86 HydrophobicContact CD-CG2 4.35Å; V86-D90 HydrophobicContact CG1-CB 4.4Å; V86-Y91 HydrophobicContact CG1-CE2 3.93Å; V86-N166 PolarHBondContact N-O 2.98Å; V86-N166 CarbonylContact O-C 3.49Å; V86-N166 WeakPolarHBondContact O-CA 3.45Å; V86-N166 WeakPolarHBondContact O-CB 3.32Å; V86-N166 VanDerWaalsContact O-O 3.12Å; V86-A168 HydrophobicContact CB-CB 4.43Å; V86-A168 HydrophobicContact CG1-CB 4.46Å; V86-A168 HydrophobicContact CG2-CB 4.09Å; V86-S171 WeakPolarHBondContact O-CB 3.33Å; V86-S171 PolarHBondContact O-OG 2.79Å
87	L	98.4	Very high	97.3	Very high	75 Å²	75	48.1 Å²	48.1	39%	0.393	27%	0.269	S	S	.	.			trans	-103.2	156	179.3	-60.8	176.7	0	0	0	111	S89 D90 N166	L87-S89 PolarHBondContact O-N 3.19Å; L87-S89 VanDerWaalsContact O-N 3.16Å; L87-D90 PolarHBondContact N-OD2 3.23Å; L87-D90 VanDerWaalsContact O-CB 3.3Å; L87-D90 WeakPolarHBondContact O-CB 3.37Å; L87-D90 PolarHBondContact O-N 2.72Å; L87-N166 HydrophobicContact CD2-CB 4.42Å
88	P	98.5	Very high	97.4	Very high	28 Å²	28	44.7 Å²	44.7	18%	0.182	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-55.5	-33.1	174.8	-27.1	35.3	0	0	0	113.8	D90 Y91 S171 K174 S175 M178	P88-D90 PolarHBondContact O-N 2.62Å; P88-Y91 PolarHBondContact O-N 3.16Å; P88-S171 WeakPolarHBondContact CA-O 3.48Å; P88-K174 HydrophobicContact CB-CB 4.24Å; P88-K174 HydrophobicContact CG-CB 3.83Å; P88-K174 HydrophobicContact CG-CD 4Å; P88-S175 WeakPolarHBondContact O-CB 3.46Å; P88-S175 PolarHBondContact O-OG 3.46Å; P88-M178 HydrophobicContact CB-CE 3.96Å
89	S	98.3	Very high	97.5	Very high	61 Å²	61	49.8 Å²	49.8	43%	0.427	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-67	-20.3	177.7	56.2	0	0	0	0	113.8	L87 Y91 D92	L87-S89 PolarHBondContact O-N 3.19Å; L87-S89 VanDerWaalsContact O-N 3.16Å; S89-Y91 PolarHBondContact O-N 2.86Å; S89-D92 VanDerWaalsContact O-CB 3.31Å; S89-D92 WeakPolarHBondContact O-CB 3.43Å; S89-D92 PolarHBondContact O-N 2.86Å; S89-D92 VanDerWaalsContact O-N 3.08Å
90	D	98.5	Very high	97.4	Very high	37 Å²	37	49.8 Å²	49.8	20%	0.198	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-67	-18.9	175.9	-64	-39.8	0	0	0	112.2	V78 K81 V86 L87 P88	V78-D90 HydrophobicContact CG1-CB 3.85Å; K81-D90 WeakPolarHBondContact CE-OD2 3.32Å; K81-D90 IonicContact NZ-OD1 3.78Å; K81-D90 PolarHBondContact NZ-OD1 3.17Å; K81-D90 IonicContact NZ-OD2 3.26Å; K81-D90 PolarHBondContact NZ-OD2 3.49Å; V86-D90 HydrophobicContact CG1-CB 4.4Å; L87-D90 PolarHBondContact N-OD2 3.23Å; L87-D90 VanDerWaalsContact O-CB 3.3Å; L87-D90 WeakPolarHBondContact O-CB 3.37Å; L87-D90 PolarHBondContact O-N 2.72Å; P88-D90 PolarHBondContact O-N 2.62Å
91	Y	98.7	Very high	97.4	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-91.7	1.6	174.5	-67.6	-72.4	0	0	0	113.7	F75 V78 V86 P88 S89 L93 F94 I95 W144 A168 Y172	F75-Y91 HydrophobicContact CD2-CD1 4.45Å; F75-Y91 AromaticContact CD2-CE1 3.91Å; F75-Y91 HydrophobicContact CD2-CE1 3.91Å; F75-Y91 HydrophobicContact CE2-CE1 4.1Å; V78-Y91 HydrophobicContact CB-CE1 4.23Å; V78-Y91 HydrophobicContact CG1-CD1 4.09Å; V78-Y91 HydrophobicContact CG1-CD2 4.37Å; V78-Y91 HydrophobicContact CG1-CE1 3.61Å; V78-Y91 HydrophobicContact CG1-CE2 3.94Å; V78-Y91 HydrophobicContact CG1-CG 4.46Å; V78-Y91 HydrophobicContact CG2-CE1 3.65Å; V78-Y91 WeakPolarHBondContact CG2-OH 3.32Å; V86-Y91 HydrophobicContact CG1-CE2 3.93Å; P88-Y91 PolarHBondContact O-N 3.16Å; S89-Y91 PolarHBondContact O-N 2.86Å; Y91-L93 VanDerWaalsContact C-N 3.33Å; Y91-L93 PolarHBondContact O-N 2.84Å; Y91-F94 HydrophobicContact CD1-CB 4.49Å; Y91-F94 HydrophobicContact CD1-CD1 4.14Å; Y91-F94 WeakPolarHBondContact O-CA 3.47Å; Y91-F94 WeakPolarHBondContact O-CB 3.5Å; Y91-F94 PolarHBondContact O-N 3.01Å; Y91-I95 WeakPolarHBondContact O-CG1 3.49Å; Y91-I95 PolarHBondContact O-N 3.48Å; Y91-W144 PolarHBondContact OH-NE1 3.26Å; Y91-A168 WeakPolarHBondContact CE2-O 3.49Å; Y91-A168 PolarHBondContact OH-O 3.36Å; Y91-Y172 AromaticContact CD1-CD2 3.81Å; Y91-Y172 HydrophobicContact CD1-CD2 3.81Å; Y91-Y172 AromaticContact CE1-CD2 3.6Å; Y91-Y172 HydrophobicContact CE1-CD2 3.6Å; Y91-Y172 HydrophobicContact CE1-CE2 4.5Å; Y91-Y172 HydrophobicContact CE1-CG 4.43Å; Y91-Y172 HydrophobicContact CE2-CD2 4.39Å; Y91-Y172 VanDerWaalsContact CE2-N 3.29Å; Y91-Y172 HydrophobicContact CG-CD2 4.29Å; Y91-Y172 AromaticContact CZ-CD2 3.88Å
92	D	98.5	Very high	97.4	Very high	97 Å²	97	44.9 Å²	44.9	52%	0.519	25%	0.249	S	C	.	.	H	α-helix	trans	-57.5	-43	-174.5	-76.4	-12.7	0	0	0	112.8	S89 I95 N96	S89-D92 VanDerWaalsContact O-CB 3.31Å; S89-D92 WeakPolarHBondContact O-CB 3.43Å; S89-D92 PolarHBondContact O-N 2.86Å; S89-D92 VanDerWaalsContact O-N 3.08Å; D92-I95 PolarHBondContact O-N 2.63Å; D92-N96 WeakPolarHBondContact O-CB 3.35Å; D92-N96 PolarHBondContact O-N 2.78Å
93	L	98.5	Very high	97.3	Very high	101 Å²	101	45 Å²	45	53%	0.529	25%	0.252	S	S	.	.	H	α-helix	trans	-67.1	-41.4	177	-179.1	61.3	0	0	0	111.5	A74 Y91 N96 L97	A74-L93 HydrophobicContact CB-CB 4.28Å; A74-L93 HydrophobicContact CB-CD2 3.99Å; A74-L93 HydrophobicContact CB-CG 3.8Å; Y91-L93 VanDerWaalsContact C-N 3.33Å; Y91-L93 PolarHBondContact O-N 2.84Å; L93-N96 PolarHBondContact O-N 3.08Å; L93-L97 HydrophobicContact CD1-CD1 4.15Å; L93-L97 HydrophobicContact CD1-CG 4.11Å; L93-L97 HydrophobicContact CG-CD1 4.09Å; L93-L97 HydrophobicContact CG-CG 4.44Å; L93-L97 WeakPolarHBondContact O-CG 3.22Å; L93-L97 PolarHBondContact O-N 3.32Å
94	F	98.6	Very high	97.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.3	-49.9	175.3	157.3	-102.5	0	0	0	110.5	F48 I71 A74 F75 Y91 N96 L97 S98 V138 Y172	F48-F94 HydrophobicContact CE2-CE2 4.24Å; F48-F94 HydrophobicContact CZ-CD2 4.39Å; F48-F94 AromaticContact CZ-CE2 3.83Å; F48-F94 HydrophobicContact CZ-CE2 3.83Å; I71-F94 HydrophobicContact CG2-CD2 3.72Å; I71-F94 HydrophobicContact CG2-CE2 3.67Å; A74-F94 HydrophobicContact CB-CB 4.14Å; F75-F94 HydrophobicContact CB-CD2 3.82Å; F75-F94 HydrophobicContact CB-CE2 4.38Å; F75-F94 HydrophobicContact CB-CG 4.31Å; Y91-F94 HydrophobicContact CD1-CB 4.49Å; Y91-F94 HydrophobicContact CD1-CD1 4.14Å; Y91-F94 WeakPolarHBondContact O-CA 3.47Å; Y91-F94 WeakPolarHBondContact O-CB 3.5Å; Y91-F94 PolarHBondContact O-N 3.01Å; F94-N96 PolarHBondContact O-N 3.32Å; F94-L97 PolarHBondContact O-N 2.95Å; F94-S98 WeakPolarHBondContact O-CB 3.21Å; F94-S98 PolarHBondContact O-N 3.21Å; F94-S98 VanDerWaalsContact O-N 3.1Å; F94-S98 PolarHBondContact O-OG 3.42Å; F94-V138 HydrophobicContact CE2-CG2 3.97Å; F94-V138 HydrophobicContact CZ-CG2 3.84Å; F94-Y172 HydrophobicContact CD1-CE2 4.12Å; F94-Y172 HydrophobicContact CE1-CD2 4.09Å; F94-Y172 AromaticContact CE1-CE2 3.33Å; F94-Y172 HydrophobicContact CE1-CE2 3.33Å; F94-Y172 AromaticContact CE1-CZ 3.91Å; F94-Y172 AromaticContact CZ-CE2 3.6Å; F94-Y172 HydrophobicContact CZ-CE2 3.6Å; F94-Y172 AromaticContact CZ-CZ 3.96Å
95	I	98.4	Very high	97.5	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-58.4	-48	177.1	-68.3	-63	0	0	0	110.2	Y91 D92 L97 S98 R99 Y135 A176 Q179	Y91-I95 WeakPolarHBondContact O-CG1 3.49Å; Y91-I95 PolarHBondContact O-N 3.48Å; D92-I95 PolarHBondContact O-N 2.63Å; I95-L97 PolarHBondContact O-N 2.67Å; I95-S98 PolarHBondContact O-N 3.47Å; I95-S98 PolarHBondContact O-OG 2.59Å; I95-R99 WeakPolarHBondContact O-CB 3.32Å; I95-R99 PolarHBondContact O-N 3.48Å; I95-Y135 HydrophobicContact CD1-CD2 4.02Å; I95-Y135 HydrophobicContact CD1-CG 4.09Å; I95-A176 HydrophobicContact CD1-CB 4.48Å; I95-Q179 HydrophobicContact CG2-CB 4.01Å; I95-Q179 HydrophobicContact CG2-CG 3.58Å
96	N	97.8	Very high	97.5	Very high	113 Å²	113	52.8 Å²	52.8	60%	0.604	27%	0.272	S	S	*	.	H	α-helix	trans	-60	-43.3	-179	-171.2	22.7	0	0	0	112.8	D92 L93 F94 S98	D92-N96 WeakPolarHBondContact O-CB 3.35Å; D92-N96 PolarHBondContact O-N 2.78Å; L93-N96 PolarHBondContact O-N 3.08Å; F94-N96 PolarHBondContact O-N 3.32Å; N96-S98 VanDerWaalsContact C-N 3.33Å; N96-S98 PolarHBondContact O-N 3.24Å
97	L	97.1	Very high	97.5	Very high	65 Å²	65	52.7 Å²	52.7	34%	0.34	27%	0.272	S	S	.	.	H	α-helix	trans	-71.3	-26.9	-179.4	-68.1	176.5	0	0	0	113.5	K66 A70 I71 A74 L93 F94 I95	K66-L97 VanDerWaalsContact CD-O 3.24Å; K66-L97 WeakPolarHBondContact CD-O 3.31Å; A70-L97 HydrophobicContact CB-CD1 4.28Å; I71-L97 HydrophobicContact CG1-CB 3.81Å; A74-L97 HydrophobicContact CB-CD1 3.78Å; L93-L97 HydrophobicContact CD1-CD1 4.15Å; L93-L97 HydrophobicContact CD1-CG 4.11Å; L93-L97 HydrophobicContact CG-CD1 4.09Å; L93-L97 HydrophobicContact CG-CG 4.44Å; L93-L97 WeakPolarHBondContact O-CG 3.22Å; L93-L97 PolarHBondContact O-N 3.32Å; F94-L97 PolarHBondContact O-N 2.95Å; I95-L97 PolarHBondContact O-N 2.67Å
98	S	96.9	Very high	97.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-101.3	-16.8	-175.4	56.2	0	0	0	0	113.7	K66 F94 I95 N96 Y135	K66-S98 VanDerWaalsContact CE-O 3.29Å; K66-S98 WeakPolarHBondContact CE-O 3.19Å; F94-S98 WeakPolarHBondContact O-CB 3.21Å; F94-S98 PolarHBondContact O-N 3.21Å; F94-S98 VanDerWaalsContact O-N 3.1Å; F94-S98 PolarHBondContact O-OG 3.42Å; I95-S98 PolarHBondContact O-N 3.47Å; I95-S98 PolarHBondContact O-OG 2.59Å; N96-S98 VanDerWaalsContact C-N 3.33Å; N96-S98 PolarHBondContact O-N 3.24Å; S98-Y135 VanDerWaalsContact OG-CB 3.3Å; S98-Y135 WeakPolarHBondContact OG-CB 3.35Å
99	R	96.4	Very high	97.6	Very high	110 Å²	110	47.9 Å²	47.9	42%	0.415	25%	0.245	S	C	.	.			trans	-57.1	140.7	-179.4	-174.3	177.8	-179.7	-164.4	2.2	112.6	K66 I95 D183	K66-R99 WeakPolarHBondContact CE-O 3.15Å; K66-R99 PolarHBondContact NZ-O 3.44Å; I95-R99 WeakPolarHBondContact O-CB 3.32Å; I95-R99 PolarHBondContact O-N 3.48Å; R99-D183 IonicContact CZ-OD1 3.61Å; R99-D183 IonicContact CZ-OD2 2.77Å; R99-D183 IonicContact NE-OD1 2.82Å; R99-D183 PolarHBondContact NE-OD1 3.35Å; R99-D183 IonicContact NE-OD2 2.65Å; R99-D183 PolarHBondContact NE-OD2 3.1Å; R99-D183 IonicContact NH2-OD1 3.63Å; R99-D183 PolarHBondContact NH2-OD1 3.14Å; R99-D183 IonicContact NH2-OD2 3.41Å
100	H	94.3	Very high	97.6	Very high	16 Å²	16	48.2 Å²	48.2	7%	0.074	24%	0.237	C	C	.	.			trans	-149.2	166	170.1	60.5	87.2	0	0	0	108.9	Y55 L134	Y55-H100 AromaticContact CE1-NE2 3.48Å; Y55-H100 WeakPolarHBondContact CE1-NE2 3.36Å; Y55-H100 AromaticContact CZ-NE2 3.79Å; Y55-H100 PolarHBondContact OH-CE1 3.49Å; Y55-H100 VanDerWaalsContact OH-CE1 3.25Å; Y55-H100 PolarHBondContact OH-NE2 2.81Å; H100-L134 PolarHBondContact NE2-N 3.46Å; H100-L134 VanDerWaalsContact NE2-N 3.13Å
101	S	93.9	Very high	97.6	Very high	64 Å²	64	47.6 Å²	47.6	45%	0.448	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-66.4	141.9	177.2	61	0	0	0	0	111.1	Q62	Q62-S101 PolarHBondContact NE2-OG 3.09Å; Q62-S101 PolarHBondContact OE1-OG 2.85Å; Q62-S101 VanDerWaalsContact OE1-OG 3.04Å
102	I	96	Very high	97.5	Very high	9 Å²	9	50.7 Å²	50.7	5%	0.046	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-92.8	128.9	166.3	-58.8	164	0	0	0	107	R104 M128 V133 Y180 D183	I102-R104 PolarHBondContact O-N 3.35Å; I102-M128 HydrophobicContact CB-SD 4.47Å; I102-M128 HydrophobicContact CG1-SD 4.46Å; I102-M128 HydrophobicContact CG2-SD 4.04Å; I102-V133 HydrophobicContact CD1-CG2 4.37Å; I102-V133 HydrophobicContact CG1-CG2 4.2Å; I102-Y180 HydrophobicContact CD1-CD2 3.34Å; I102-Y180 HydrophobicContact CD1-CE2 3.57Å; I102-Y180 HydrophobicContact CD1-CG 4.23Å; I102-Y180 HydrophobicContact CG1-CD2 4.48Å; I102-Y180 HydrophobicContact CG1-CE2 4.46Å; I102-D183 HydrophobicContact CD1-CB 3.84Å; I102-D183 HydrophobicContact CG1-CB 4.41Å
103	P	96	Very high	97.4	Very high	53 Å²	53	46.5 Å²	46.5	34%	0.344	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-60	141	178.2	-19.9	30.7	0	0	0	111.4	K106 M128	P103-K106 HydrophobicContact CB-CB 4.19Å; P103-K106 HydrophobicContact CB-CG 3.77Å; P103-K106 HydrophobicContact CG-CG 4.4Å; P103-K106 WeakPolarHBondContact O-CB 3.14Å; P103-K106 PolarHBondContact O-N 3.25Å; P103-M128 VanDerWaalsContact CD-SD 3.56Å; P103-M128 HydrophobicContact CG-CE 4.14Å
104	R	98.3	Very high	97.3	Very high	137 Å²	137	43.5 Å²	43.5	52%	0.517	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	142.5	175.9	-166.7	-172.3	-174.2	-86.3	-2.5	110.6	I102 K106 T221	I102-R104 PolarHBondContact O-N 3.35Å; R104-K106 PolarHBondContact O-N 2.81Å; R104-T221 PolarHBondContact NH2-OG1 3.05Å
105	D	98.5	Very high	97.3	Very high	56 Å²	56	49.3 Å²	49.3	30%	0.299	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	10.4	178.4	-46.1	-60.2	0	0	0	114.8	S185 G186 V187	D105-S185 PolarHBondContact N-O 2.94Å; D105-G186 WeakPolarHBondContact OD1-CA 3.3Å; D105-V187 HydrophobicContact CB-CB 4.43Å; D105-V187 PolarHBondContact OD1-N 3.29Å
106	K	98.3	Very high	97.2	Very high	76 Å²	76	50.2 Å²	50.2	33%	0.33	25%	0.245	S	C	.	.			trans	-105	-8.8	-178.5	-66	-61.1	-165.6	171.6	0	115	P103 R104 R126 L127 M128	P103-K106 HydrophobicContact CB-CB 4.19Å; P103-K106 HydrophobicContact CB-CG 3.77Å; P103-K106 HydrophobicContact CG-CG 4.4Å; P103-K106 WeakPolarHBondContact O-CB 3.14Å; P103-K106 PolarHBondContact O-N 3.25Å; R104-K106 PolarHBondContact O-N 2.81Å; K106-R126 WeakPolarHBondContact CD-O 3.4Å; K106-R126 PolarHBondContact NZ-O 3.07Å; K106-L127 HydrophobicContact CD-CD2 4.14Å; K106-M128 HydrophobicContact CB-CB 4.29Å; K106-M128 PolarHBondContact O-N 3.46Å
107	S	98.8	Very high	97.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	137	179.9	-55.8	0	0	0	0	111.7	Y180 S184 N189	S107-Y180 VanDerWaalsContact CA-OH 3.25Å; S107-Y180 WeakPolarHBondContact CA-OH 3.03Å; S107-Y180 WeakPolarHBondContact CB-OH 3.37Å; S107-S184 WeakPolarHBondContact CB-OG 3.38Å; S107-S184 WeakPolarHBondContact OG-CB 3.18Å; S107-S184 PolarHBondContact OG-OG 2.7Å; S107-N189 PolarHBondContact O-N 2.77Å; S107-N189 VanDerWaalsContact O-N 3.15Å; S107-N189 PolarHBondContact O-ND2 3.3Å
108	L	98.9	Very high	97.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	104.1	177.4	176.9	61.6	0	0	0	109.4	V117 L127 P129 Y180 N189 M191 W226	L108-V117 HydrophobicContact CD2-CG1 3.87Å; L108-V117 HydrophobicContact CG-CG1 4.36Å; L108-L127 HydrophobicContact CB-CB 4.12Å; L108-L127 HydrophobicContact CB-CD1 4.23Å; L108-L127 HydrophobicContact CD1-CD1 4.4Å; L108-L127 HydrophobicContact CD2-CB 4.3Å; L108-L127 HydrophobicContact CD2-CD1 3.95Å; L108-L127 HydrophobicContact CG-CD1 4.43Å; L108-P129 HydrophobicContact CB-CB 4.15Å; L108-P129 HydrophobicContact CG-CB 4.44Å; L108-P129 VanDerWaalsContact O-CA 3.28Å; L108-P129 WeakPolarHBondContact O-CA 3.4Å; L108-P129 WeakPolarHBondContact O-CB 3.4Å; L108-Y180 PolarHBondContact N-OH 3.44Å; L108-N189 CarbonylContact C-O 3.55Å; L108-N189 WeakPolarHBondContact CA-O 3.37Å; L108-N189 HydrophobicContact CD1-CB 3.81Å; L108-M191 HydrophobicContact CD1-CB 4.16Å; L108-M191 HydrophobicContact CD2-CE 4.39Å; L108-W226 HydrophobicContact CD1-CE3 4.26Å; L108-W226 HydrophobicContact CD1-CH2 4.42Å; L108-W226 HydrophobicContact CD1-CZ3 3.79Å
109	F	98.9	Very high	97.3	Very high	2 Å²	2	48 Å²	48	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	161.5	170.7	-64.1	-96.2	0	0	0	109.6	Y180 S181 I188 N189 V190 M191 F207 E211 L215	F109-Y180 HydrophobicContact CD1-CD1 4.12Å; F109-Y180 AromaticContact CD1-CE1 3.92Å; F109-Y180 HydrophobicContact CD1-CE1 3.92Å; F109-Y180 HydrophobicContact CD2-CE1 4.09Å; F109-Y180 AromaticContact CE1-CD1 3.4Å; F109-Y180 HydrophobicContact CE1-CD1 3.4Å; F109-Y180 VanDerWaalsContact CE1-CD1 3.4Å; F109-Y180 AromaticContact CE1-CE1 3.52Å; F109-Y180 HydrophobicContact CE1-CE1 3.52Å; F109-Y180 HydrophobicContact CE2-CD1 4.25Å; F109-Y180 AromaticContact CE2-CE1 3.68Å; F109-Y180 HydrophobicContact CE2-CE1 3.68Å; F109-Y180 HydrophobicContact CG-CE1 4.21Å; F109-Y180 AromaticContact CZ-CD1 3.49Å; F109-Y180 HydrophobicContact CZ-CD1 3.49Å; F109-Y180 VanDerWaalsContact CZ-CD1 3.49Å; F109-Y180 AromaticContact CZ-CE1 3.39Å; F109-Y180 HydrophobicContact CZ-CE1 3.39Å; F109-S181 WeakPolarHBondContact CE1-OG 3.23Å; F109-I188 HydrophobicContact CD2-CG2 3.4Å; F109-I188 HydrophobicContact CE2-CD1 4.46Å; F109-I188 HydrophobicContact CE2-CG2 3.5Å; F109-I188 VanDerWaalsContact CE2-CG2 3.5Å; F109-N189 PolarHBondContact N-O 2.87Å; F109-V190 HydrophobicContact CB-CG1 4.35Å; F109-V190 HydrophobicContact CB-CG2 4.27Å; F109-V190 CarbonylContact O-C 3.54Å; F109-V190 VanDerWaalsContact O-CA 3.3Å; F109-V190 WeakPolarHBondContact O-CA 3.23Å; F109-M191 PolarHBondContact O-N 2.98Å; F109-F207 HydrophobicContact CB-CD2 3.88Å; F109-F207 HydrophobicContact CB-CE2 3.74Å; F109-F207 AromaticContact CD1-CD2 3.91Å; F109-F207 HydrophobicContact CD1-CD2 3.91Å; F109-F207 HydrophobicContact CD1-CE2 4.03Å; F109-F207 HydrophobicContact CG-CD2 4.14Å; F109-F207 AromaticContact CG-CE2 3.91Å; F109-F207 HydrophobicContact CG-CE2 3.91Å; F109-E211 HydrophobicContact CD1-CB 4Å; F109-E211 HydrophobicContact CD1-CG 4.17Å; F109-E211 VanDerWaalsContact CD1-OE2 3.29Å; F109-E211 WeakPolarHBondContact CD1-OE2 3.3Å; F109-E211 HydrophobicContact CE1-CB 3.76Å; F109-E211 HydrophobicContact CE1-CG 3.99Å; F109-L215 HydrophobicContact CE2-CD2 4.25Å; F109-L215 HydrophobicContact CZ-CD2 3.93Å
110	W	98.7	Very high	97.4	Very high	67 Å²	67	43.6 Å²	43.6	25%	0.254	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	158.4	-178.3	59.7	-86.6	0	0	0	113	H114 V117 M191	W110-H114 HydrophobicContact CE3-CB 4.4Å; W110-H114 HydrophobicContact CH2-CB 3.34Å; W110-H114 AromaticContact CH2-CD2 3.68Å; W110-H114 AromaticContact CH2-CG 3.39Å; W110-H114 AromaticContact CH2-ND1 3.99Å; W110-H114 HydrophobicContact CZ2-CB 3.95Å; W110-H114 AromaticContact CZ2-CD2 3.37Å; W110-H114 WeakPolarHBondContact CZ2-CD2 3.22Å; W110-H114 AromaticContact CZ2-CG 3.62Å; W110-H114 AromaticContact CZ2-NE2 3.95Å; W110-H114 HydrophobicContact CZ3-CB 3.6Å; W110-V117 HydrophobicContact CB-CG2 3.5Å; W110-V117 VanDerWaalsContact CB-CG2 3.5Å; W110-V117 HydrophobicContact CD2-CG2 4.21Å; W110-V117 HydrophobicContact CG-CB 4.27Å; W110-V117 HydrophobicContact CG-CG1 4.19Å; W110-V117 HydrophobicContact CG-CG2 3.59Å; W110-M191 WeakPolarHBondContact CA-O 3.3Å; W110-M191 HydrophobicContact CB-CB 4.24Å; W110-M191 WeakPolarHBondContact CB-O 3.15Å
111	E	98.5	Very high	97.5	Very high	24 Å²	24	42.8 Å²	42.8	11%	0.112	22%	0.218	C	C	.	.	S	Bend	trans	-136.7	137.9	168.2	-74.2	-71.6	-178.3	0	0	108.5	N113 M191 L192 P202 F207	E111-N113 VanDerWaalsContact C-N 3.25Å; E111-N113 PolarHBondContact O-N 3.01Å; E111-N113 VanDerWaalsContact O-N 3.12Å; E111-N113 PolarHBondContact O-ND2 3.35Å; E111-M191 PolarHBondContact N-O 2.78Å; E111-M191 VanDerWaalsContact N-O 3.09Å; E111-L192 HydrophobicContact CB-CD2 3.97Å; E111-L192 HydrophobicContact CG-CD2 4.34Å; E111-P202 HydrophobicContact CB-CG 4.46Å; E111-P202 HydrophobicContact CG-CG 4.37Å; E111-F207 HydrophobicContact CG-CB 3.94Å; E111-F207 WeakPolarHBondContact OE1-CB 3.47Å; E111-F207 PolarHBondContact OE1-N 3.08Å
112	N	97	Very high	97.4	Very high	66 Å²	66	43.4 Å²	43.4	35%	0.353	21%	0.214	S	C	.	.	S	Bend	trans	52.6	32	176.5	-55.2	-53.7	0	0	0	115.9	N193	N112-N193 HydrophobicContact CB-CB 3.83Å; N112-N193 WeakPolarHBondContact O-CB 3.48Å; N112-N193 PolarHBondContact O-ND2 3.24Å
113	N	95.1	Very high	97.1	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.048	23%	0.231	C	C	.	.			trans	-139.3	23.5	-175.2	-85	-51.3	0	0	0	114.6	E111 L115 L116 V117 M191 L192 N193	E111-N113 VanDerWaalsContact C-N 3.25Å; E111-N113 PolarHBondContact O-N 3.01Å; E111-N113 VanDerWaalsContact O-N 3.12Å; E111-N113 PolarHBondContact O-ND2 3.35Å; N113-L115 PolarHBondContact O-N 2.85Å; N113-L116 PolarHBondContact O-N 2.69Å; N113-L116 VanDerWaalsContact O-N 3.08Å; N113-V117 HydrophobicContact CB-CG2 4.04Å; N113-V117 WeakPolarHBondContact O-CG2 3.47Å; N113-V117 PolarHBondContact O-N 3.4Å; N113-M191 HydrophobicContact CB-CG 4.23Å; N113-M191 HydrophobicContact CB-SD 4.08Å; N113-M191 PolarHBondContact ND2-O 2.84Å; N113-L192 PolarHBondContact ND2-O 2.75Å; N113-N193 WeakPolarHBondContact ND2-CA 3.3Å; N113-N193 PolarHBondContact ND2-N 3.21Å
114	H	97.3	Very high	96.8	Very high	39 Å²	39	45.8 Å²	45.8	18%	0.181	23%	0.225	C	C	.	.	H	α-helix	trans	-50.3	-53.1	-165	-165.5	-173.5	0	0	0	114.5	W110 L116 V117 M118 D140 F141	W110-H114 HydrophobicContact CE3-CB 4.4Å; W110-H114 HydrophobicContact CH2-CB 3.34Å; W110-H114 AromaticContact CH2-CD2 3.68Å; W110-H114 AromaticContact CH2-CG 3.39Å; W110-H114 AromaticContact CH2-ND1 3.99Å; W110-H114 HydrophobicContact CZ2-CB 3.95Å; W110-H114 AromaticContact CZ2-CD2 3.37Å; W110-H114 WeakPolarHBondContact CZ2-CD2 3.22Å; W110-H114 AromaticContact CZ2-CG 3.62Å; W110-H114 AromaticContact CZ2-NE2 3.95Å; W110-H114 HydrophobicContact CZ3-CB 3.6Å; H114-L116 PolarHBondContact O-N 3.28Å; H114-V117 PolarHBondContact O-N 3.48Å; H114-M118 PolarHBondContact O-N 3.15Å; H114-M118 VanDerWaalsContact O-N 3.08Å; H114-D140 IonicContact CE1-OD1 2.92Å; H114-D140 PolarHBondContact CE1-OD1 3.25Å; H114-D140 IonicContact NE2-OD1 3.54Å; H114-D140 PolarHBondContact NE2-OD1 2.96Å; H114-D140 IonicContact NE2-OD2 2.75Å; H114-F141 AromaticContact CE1-CD2 3.89Å; H114-F141 AromaticContact CE1-CE1 3.55Å; H114-F141 AromaticContact CE1-CE2 3.44Å; H114-F141 VanDerWaalsContact CE1-CE2 3.44Å; H114-F141 WeakPolarHBondContact CE1-CE2 3.49Å; H114-F141 AromaticContact CE1-CZ 3.23Å; H114-F141 WeakPolarHBondContact CE1-CZ 3.41Å; H114-F141 AromaticContact CG-CZ 3.89Å; H114-F141 AromaticContact ND1-CE1 3.3Å; H114-F141 VanDerWaalsContact ND1-CE1 3.3Å; H114-F141 WeakPolarHBondContact ND1-CE1 3.16Å; H114-F141 AromaticContact ND1-CE2 3.9Å; H114-F141 AromaticContact ND1-CZ 3.18Å; H114-F141 WeakPolarHBondContact ND1-CZ 3.18Å; H114-F141 AromaticContact NE2-CE2 3.96Å; H114-F141 AromaticContact NE2-CZ 3.96Å
115	L	97.7	Very high	96.5	Very high	121 Å²	121	46.8 Å²	46.8	63%	0.634	23%	0.229	S	C	*	.	H	α-helix	trans	-68	-35.2	-177.4	-64.6	175.6	0	0	0	112.9	N113 S119 F141	N113-L115 PolarHBondContact O-N 2.85Å; L115-S119 WeakPolarHBondContact O-CB 3.46Å; L115-S119 PolarHBondContact O-N 3.21Å; L115-S119 PolarHBondContact O-OG 2.94Å; L115-F141 HydrophobicContact CD2-CE2 4.34Å; L115-F141 HydrophobicContact CD2-CZ 3.65Å
116	L	98.1	Very high	96.4	Very high	28 Å²	28	48.1 Å²	48.1	15%	0.147	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-41.4	177.3	-178.6	58.9	0	0	0	110.8	N113 H114 S119 F120 M191 M228 V267 L270 M271	N113-L116 PolarHBondContact O-N 2.69Å; N113-L116 VanDerWaalsContact O-N 3.08Å; H114-L116 PolarHBondContact O-N 3.28Å; L116-S119 PolarHBondContact O-N 3.47Å; L116-F120 VanDerWaalsContact O-CB 3.22Å; L116-F120 WeakPolarHBondContact O-CB 3.41Å; L116-F120 PolarHBondContact O-N 2.97Å; L116-M191 HydrophobicContact CB-SD 4.36Å; L116-M191 HydrophobicContact CD2-SD 3.84Å; L116-M191 HydrophobicContact CG-SD 3.84Å; L116-M228 HydrophobicContact CD2-CB 4.44Å; L116-M228 HydrophobicContact CD2-CG 4.46Å; L116-V267 HydrophobicContact CD1-CG1 3.85Å; L116-V267 HydrophobicContact CD2-CG1 3.69Å; L116-V267 HydrophobicContact CG-CG1 3.84Å; L116-L270 HydrophobicContact CD1-CD2 4.11Å; L116-L270 HydrophobicContact CD1-CG 4.44Å; L116-M271 HydrophobicContact CD1-CG 3.76Å; L116-M271 HydrophobicContact CD2-CE 4.39Å; L116-M271 HydrophobicContact CD2-CG 4.06Å; L116-M271 HydrophobicContact CD2-SD 3.92Å
117	V	98.3	Very high	96.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.6	-46.4	175.7	166.3	0	0	0	0	111.3	L108 W110 N113 H114 F120 S121 P129 M191	L108-V117 HydrophobicContact CD2-CG1 3.87Å; L108-V117 HydrophobicContact CG-CG1 4.36Å; W110-V117 HydrophobicContact CB-CG2 3.5Å; W110-V117 VanDerWaalsContact CB-CG2 3.5Å; W110-V117 HydrophobicContact CD2-CG2 4.21Å; W110-V117 HydrophobicContact CG-CB 4.27Å; W110-V117 HydrophobicContact CG-CG1 4.19Å; W110-V117 HydrophobicContact CG-CG2 3.59Å; N113-V117 HydrophobicContact CB-CG2 4.04Å; N113-V117 WeakPolarHBondContact O-CG2 3.47Å; N113-V117 PolarHBondContact O-N 3.4Å; H114-V117 PolarHBondContact O-N 3.48Å; V117-F120 PolarHBondContact O-N 3.35Å; V117-S121 VanDerWaalsContact O-CB 3.31Å; V117-S121 WeakPolarHBondContact O-CB 3.48Å; V117-S121 PolarHBondContact O-N 2.89Å; V117-S121 PolarHBondContact O-OG 2.91Å; V117-P129 HydrophobicContact CG1-CB 3.58Å; V117-P129 HydrophobicContact CG1-CG 3.74Å; V117-M191 HydrophobicContact CG2-CB 4.16Å; V117-M191 HydrophobicContact CG2-CE 4.2Å; V117-M191 HydrophobicContact CG2-CG 4.39Å; V117-M191 HydrophobicContact CG2-SD 3.6Å; V117-M191 VanDerWaalsContact CG2-SD 3.6Å
118	M	96.7	Very high	96.3	Very high	62 Å²	62	46.1 Å²	46.1	31%	0.305	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-45.8	176.9	-74	176	57	0	0	112.4	H114 F120 S121 E122 F141	H114-M118 PolarHBondContact O-N 3.15Å; H114-M118 VanDerWaalsContact O-N 3.08Å; M118-F120 VanDerWaalsContact C-N 3.27Å; M118-F120 PolarHBondContact O-N 2.82Å; M118-S121 WeakPolarHBondContact CA-OG 3.43Å; M118-S121 PolarHBondContact O-N 3.45Å; M118-S121 PolarHBondContact O-OG 3.41Å; M118-E122 PolarHBondContact O-N 3.22Å; M118-F141 HydrophobicContact CE-CE2 4.01Å; M118-F141 HydrophobicContact SD-CD2 4.4Å; M118-F141 HydrophobicContact SD-CE2 3.41Å; M118-F141 WeakPolarHBondContact SD-CE2 3.15Å; M118-F141 HydrophobicContact SD-CZ 4.04Å
119	S	97.6	Very high	96.3	Very high	70 Å²	70	46.1 Å²	46.1	49%	0.49	22%	0.222	S	C	.	.	H	α-helix	trans	-64	-36	179.1	-58.5	0	0	0	0	111.7	L115 L116 R126	L115-S119 WeakPolarHBondContact O-CB 3.46Å; L115-S119 PolarHBondContact O-N 3.21Å; L115-S119 PolarHBondContact O-OG 2.94Å; L116-S119 PolarHBondContact O-N 3.47Å; S119-R126 PolarHBondContact O-NH1 2.82Å
120	F	98.2	Very high	96.3	Very high	16 Å²	16	46.6 Å²	46.6	7%	0.07	23%	0.225	C	C	.	.	H	α-helix	trans	-78.6	-37.5	179.6	-173.7	-108.7	0	0	0	113.4	L116 V117 M118 E122 R126 L127 M191 W226 Y264 P266 V267 L270	L116-F120 VanDerWaalsContact O-CB 3.22Å; L116-F120 WeakPolarHBondContact O-CB 3.41Å; L116-F120 PolarHBondContact O-N 2.97Å; V117-F120 PolarHBondContact O-N 3.35Å; M118-F120 VanDerWaalsContact C-N 3.27Å; M118-F120 PolarHBondContact O-N 2.82Å; F120-E122 VanDerWaalsContact C-N 3.3Å; F120-E122 PolarHBondContact O-N 3.28Å; F120-R126 WeakPolarHBondContact O-CB 3.19Å; F120-R126 WeakPolarHBondContact O-CD 3.13Å; F120-R126 WeakPolarHBondContact O-CG 3.27Å; F120-R126 PolarHBondContact O-NH1 2.84Å; F120-L127 HydrophobicContact CD1-CD1 4.23Å; F120-L127 HydrophobicContact CE1-CD1 3.78Å; F120-M191 HydrophobicContact CB-CE 4.37Å; F120-M191 HydrophobicContact CD1-CE 4.12Å; F120-M191 HydrophobicContact CG-CE 4.41Å; F120-W226 HydrophobicContact CD1-CZ3 4.25Å; F120-W226 HydrophobicContact CE1-CH2 4.01Å; F120-W226 AromaticContact CE1-CZ3 3.77Å; F120-W226 HydrophobicContact CE1-CZ3 3.77Å; F120-Y264 HydrophobicContact CZ-CE1 4.22Å; F120-P266 HydrophobicContact CE2-CB 3.76Å; F120-P266 HydrophobicContact CZ-CB 3.95Å; F120-V267 HydrophobicContact CD1-CG2 3.87Å; F120-V267 HydrophobicContact CD2-CB 4.39Å; F120-V267 HydrophobicContact CD2-CG2 3.69Å; F120-V267 HydrophobicContact CE1-CG2 3.82Å; F120-V267 HydrophobicContact CE2-CB 4.49Å; F120-V267 HydrophobicContact CE2-CG2 3.65Å; F120-V267 HydrophobicContact CG-CG2 3.81Å; F120-V267 HydrophobicContact CZ-CG2 3.71Å; F120-L270 HydrophobicContact CB-CD2 3.84Å; F120-L270 HydrophobicContact CD2-CD2 4.2Å
121	S	96.3	Very high	96.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.3	-33.1	177.7	49.4	0	0	0	0	112.5	V117 M118 R125 R126 L127 D132	V117-S121 VanDerWaalsContact O-CB 3.31Å; V117-S121 WeakPolarHBondContact O-CB 3.48Å; V117-S121 PolarHBondContact O-N 2.89Å; V117-S121 PolarHBondContact O-OG 2.91Å; M118-S121 WeakPolarHBondContact CA-OG 3.43Å; M118-S121 PolarHBondContact O-N 3.45Å; M118-S121 PolarHBondContact O-OG 3.41Å; S121-R125 PolarHBondContact O-N 3.01Å; S121-R126 PolarHBondContact O-N 2.6Å; S121-L127 WeakPolarHBondContact CB-O 3.41Å; S121-D132 VanDerWaalsContact CB-OD2 3.32Å; S121-D132 WeakPolarHBondContact CB-OD2 3.26Å; S121-D132 PolarHBondContact OG-OD2 3.12Å
122	E	92.9	Very high	96	Very high	76 Å²	76	43.1 Å²	43.1	36%	0.355	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	58.4	177.7	-165.7	-172.9	160.4	0	0	111.7	M118 F120 T124 R125 R126	M118-E122 PolarHBondContact O-N 3.22Å; F120-E122 VanDerWaalsContact C-N 3.3Å; F120-E122 PolarHBondContact O-N 3.28Å; E122-T124 PolarHBondContact O-N 3.17Å; E122-R125 HydrophobicContact CB-CB 4.3Å; E122-R125 HydrophobicContact CG-CB 4.48Å; E122-R125 WeakPolarHBondContact O-CB 3.21Å; E122-R125 PolarHBondContact O-N 2.7Å; E122-R125 VanDerWaalsContact O-N 3.1Å; E122-R125 IonicContact OE1-CZ 2.72Å; E122-R125 IonicContact OE1-NE 2.99Å; E122-R125 PolarHBondContact OE1-NE 3.12Å; E122-R125 IonicContact OE1-NH2 3.84Å; E122-R125 PolarHBondContact OE1-NH2 2.72Å; E122-R125 IonicContact OE2-CZ 3.41Å; E122-R125 IonicContact OE2-NE 3.05Å; E122-R125 PolarHBondContact OE2-NE 3.42Å; E122-R125 IonicContact OE2-NH2 2.62Å; E122-R125 PolarHBondContact OE2-NH2 2.91Å; E122-R126 HydrophobicContact CB-CG 4.43Å; E122-R126 IonicContact OE2-CZ 3.3Å; E122-R126 IonicContact OE2-NE 2.7Å; E122-R126 PolarHBondContact OE2-NE 3.31Å; E122-R126 IonicContact OE2-NH1 3.17Å; E122-R126 PolarHBondContact OE2-NH1 2.73Å; E122-R126 IonicContact OE2-NH2 3.57Å; E122-R126 PolarHBondContact OE2-NH2 2.97Å
123	N	88.9	Confident	96	Very high	75 Å²	75	40 Å²	40	40%	0.401	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	61.4	175	-167.9	21.6	0	0	0	111.8	R125 D132	N123-R125 PolarHBondContact O-N 3.43Å; N123-R125 VanDerWaalsContact O-N 3.14Å; N123-D132 WeakPolarHBondContact CA-OD2 3.42Å
124	T	90.2	Very high	96.1	Very high	37 Å²	37	39.5 Å²	39.5	23%	0.227	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	-8.3	-178	77.4	0	0	0	0	116.6	Y55 E122 R126 L127 M128 D132	Y55-T124 HydrophobicContact CE2-CG2 4.35Å; E122-T124 PolarHBondContact O-N 3.17Å; T124-R126 PolarHBondContact O-N 2.79Å; T124-L127 CarbonylContact C-O 3.48Å; T124-L127 VanDerWaalsContact CA-O 3.3Å; T124-L127 WeakPolarHBondContact CA-O 3.22Å; T124-M128 HydrophobicContact CG2-CE 3.79Å; T124-M128 HydrophobicContact CG2-CG 4.4Å; T124-D132 HydrophobicContact CG2-CB 3.95Å; T124-D132 WeakPolarHBondContact CG2-O 3.4Å; T124-D132 PolarHBondContact N-OD2 3.4Å
125	R	92.4	Very high	96.2	Very high	158 Å²	158	37.7 Å²	37.7	60%	0.596	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-44	-172.6	-167.1	-174	78	116.7	-11.3	112.6	S121 E122 N123	S121-R125 PolarHBondContact O-N 3.01Å; E122-R125 HydrophobicContact CB-CB 4.3Å; E122-R125 HydrophobicContact CG-CB 4.48Å; E122-R125 WeakPolarHBondContact O-CB 3.21Å; E122-R125 PolarHBondContact O-N 2.7Å; E122-R125 VanDerWaalsContact O-N 3.1Å; E122-R125 IonicContact OE1-CZ 2.72Å; E122-R125 IonicContact OE1-NE 2.99Å; E122-R125 PolarHBondContact OE1-NE 3.12Å; E122-R125 IonicContact OE1-NH2 3.84Å; E122-R125 PolarHBondContact OE1-NH2 2.72Å; E122-R125 IonicContact OE2-CZ 3.41Å; E122-R125 IonicContact OE2-NE 3.05Å; E122-R125 PolarHBondContact OE2-NE 3.42Å; E122-R125 IonicContact OE2-NH2 2.62Å; E122-R125 PolarHBondContact OE2-NH2 2.91Å; N123-R125 PolarHBondContact O-N 3.43Å; N123-R125 VanDerWaalsContact O-N 3.14Å
126	R	95.9	Very high	96.2	Very high	84 Å²	84	31.9 Å²	31.9	32%	0.317	16%	0.155	S	C	.	.	S	Bend	trans	-92.7	-56.6	-179.8	-53.7	-160.3	-167.5	98	-0.9	110.7	K106 S119 F120 S121 E122 T124	K106-R126 WeakPolarHBondContact CD-O 3.4Å; K106-R126 PolarHBondContact NZ-O 3.07Å; S119-R126 PolarHBondContact O-NH1 2.82Å; F120-R126 WeakPolarHBondContact O-CB 3.19Å; F120-R126 WeakPolarHBondContact O-CD 3.13Å; F120-R126 WeakPolarHBondContact O-CG 3.27Å; F120-R126 PolarHBondContact O-NH1 2.84Å; S121-R126 PolarHBondContact O-N 2.6Å; E122-R126 HydrophobicContact CB-CG 4.43Å; E122-R126 IonicContact OE2-CZ 3.3Å; E122-R126 IonicContact OE2-NE 2.7Å; E122-R126 PolarHBondContact OE2-NE 3.31Å; E122-R126 IonicContact OE2-NH1 3.17Å; E122-R126 PolarHBondContact OE2-NH1 2.73Å; E122-R126 IonicContact OE2-NH2 3.57Å; E122-R126 PolarHBondContact OE2-NH2 2.97Å; T124-R126 PolarHBondContact O-N 2.79Å
127	L	97.5	Very high	96.1	Very high	16 Å²	16	31.9 Å²	31.9	8%	0.084	15%	0.154	C	C	.	.			trans	-141.1	169.7	-178.6	-67.7	168.9	0	0	0	109	K106 L108 F120 S121 T124 W226	K106-L127 HydrophobicContact CD-CD2 4.14Å; L108-L127 HydrophobicContact CB-CB 4.12Å; L108-L127 HydrophobicContact CB-CD1 4.23Å; L108-L127 HydrophobicContact CD1-CD1 4.4Å; L108-L127 HydrophobicContact CD2-CB 4.3Å; L108-L127 HydrophobicContact CD2-CD1 3.95Å; L108-L127 HydrophobicContact CG-CD1 4.43Å; F120-L127 HydrophobicContact CD1-CD1 4.23Å; F120-L127 HydrophobicContact CE1-CD1 3.78Å; S121-L127 WeakPolarHBondContact CB-O 3.41Å; T124-L127 CarbonylContact C-O 3.48Å; T124-L127 VanDerWaalsContact CA-O 3.3Å; T124-L127 WeakPolarHBondContact CA-O 3.22Å; L127-W226 HydrophobicContact CD1-CH2 3.6Å; L127-W226 HydrophobicContact CD1-CZ3 4.03Å
128	M	97.8	Very high	96.1	Very high	18 Å²	18	31.9 Å²	31.9	9%	0.089	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	76.6	-176.9	-172.8	177.2	-74	0	0	109.3	I102 P103 K106 T124 D132 V133 Y180	I102-M128 HydrophobicContact CB-SD 4.47Å; I102-M128 HydrophobicContact CG1-SD 4.46Å; I102-M128 HydrophobicContact CG2-SD 4.04Å; P103-M128 VanDerWaalsContact CD-SD 3.56Å; P103-M128 HydrophobicContact CG-CE 4.14Å; K106-M128 HydrophobicContact CB-CB 4.29Å; K106-M128 PolarHBondContact O-N 3.46Å; T124-M128 HydrophobicContact CG2-CE 3.79Å; T124-M128 HydrophobicContact CG2-CG 4.4Å; M128-D132 HydrophobicContact CG-CB 4.32Å; M128-V133 HydrophobicContact CG-CG2 3.75Å; M128-V133 HydrophobicContact SD-CG2 4.06Å; M128-Y180 WeakPolarHBondContact O-CE2 3.48Å; M128-Y180 PolarHBondContact O-OH 2.8Å
129	P	98.4	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	169	169	29	-36.7	0	0	0	111.2	L108 V117 C131 D132 V133 Y180	L108-P129 HydrophobicContact CB-CB 4.15Å; L108-P129 HydrophobicContact CG-CB 4.44Å; L108-P129 VanDerWaalsContact O-CA 3.28Å; L108-P129 WeakPolarHBondContact O-CA 3.4Å; L108-P129 WeakPolarHBondContact O-CB 3.4Å; V117-P129 HydrophobicContact CG1-CB 3.58Å; V117-P129 HydrophobicContact CG1-CG 3.74Å; P129-C131 VanDerWaalsContact C-N 3.27Å; P129-C131 PolarHBondContact O-N 3.42Å; P129-D132 HydrophobicContact CG-CB 3.93Å; P129-D132 CarbonylContact O-C 3.06Å; P129-D132 WeakPolarHBondContact O-CA 3.5Å; P129-D132 WeakPolarHBondContact O-CB 3.21Å; P129-D132 PolarHBondContact O-N 3.38Å; P129-V133 PolarHBondContact O-N 3.11Å; P129-Y180 WeakPolarHBondContact CA-OH 3.48Å
130	L	98.4	Very high	96.2	Very high	13 Å²	13	26.1 Å²	26.1	7%	0.068	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-55.4	-40.3	-179.7	174.3	58.1	0	0	0	112.8	D132 V133 Y135 G136 W173 A176 Y180	L130-D132 PolarHBondContact O-N 2.88Å; L130-D132 VanDerWaalsContact O-N 3.14Å; L130-V133 WeakPolarHBondContact O-CB 3.4Å; L130-V133 PolarHBondContact O-N 3.44Å; L130-Y135 HydrophobicContact CD1-CD2 3.95Å; L130-Y135 HydrophobicContact CD1-CE2 3.51Å; L130-G136 VanDerWaalsContact O-CA 3.32Å; L130-G136 WeakPolarHBondContact O-CA 3.46Å; L130-W173 HydrophobicContact CD2-CE3 3.8Å; L130-W173 HydrophobicContact CD2-CZ3 3.82Å; L130-W173 HydrophobicContact CG-CZ3 4.04Å; L130-A176 HydrophobicContact CD1-CB 4.16Å; L130-A176 HydrophobicContact CD2-CB 4.18Å; L130-Y180 HydrophobicContact CB-CD1 4.26Å; L130-Y180 HydrophobicContact CB-CD2 4.26Å; L130-Y180 HydrophobicContact CB-CE1 4.47Å; L130-Y180 HydrophobicContact CB-CE2 4.46Å; L130-Y180 HydrophobicContact CB-CG 4.18Å; L130-Y180 HydrophobicContact CD1-CD2 4.13Å; L130-Y180 HydrophobicContact CD1-CG 4.08Å
131	C	96.1	Very high	96.2	Very high	4 Å²	4	31 Å²	31	3%	0.027	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-63.9	-14.4	176	52.9	0	0	0	0	114.3	P129 N137 D140	P129-C131 VanDerWaalsContact C-N 3.27Å; P129-C131 PolarHBondContact O-N 3.42Å; C131-N137 WeakPolarHBondContact O-CA 3.28Å; C131-N137 VanDerWaalsContact O-CB 3.22Å; C131-N137 WeakPolarHBondContact O-CB 3.33Å; C131-N137 PolarHBondContact O-N 2.64Å; C131-N137 PolarHBondContact O-ND2 2.92Å; C131-N137 VanDerWaalsContact O-ND2 3.09Å; C131-D140 HydrophobicContact CB-CB 4.28Å
132	D	96.2	Very high	96.3	Very high	13 Å²	13	31.8 Å²	31.8	7%	0.07	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-104	10.6	175.3	-87.8	3.8	0	0	0	112.6	Y55 S121 N123 T124 M128 P129 L130	Y55-D132 WeakPolarHBondContact CE2-O 3.46Å; Y55-D132 VanDerWaalsContact CZ-O 3.28Å; Y55-D132 PolarHBondContact OH-O 2.84Å; S121-D132 VanDerWaalsContact CB-OD2 3.32Å; S121-D132 WeakPolarHBondContact CB-OD2 3.26Å; S121-D132 PolarHBondContact OG-OD2 3.12Å; N123-D132 WeakPolarHBondContact CA-OD2 3.42Å; T124-D132 HydrophobicContact CG2-CB 3.95Å; T124-D132 WeakPolarHBondContact CG2-O 3.4Å; T124-D132 PolarHBondContact N-OD2 3.4Å; M128-D132 HydrophobicContact CG-CB 4.32Å; P129-D132 HydrophobicContact CG-CB 3.93Å; P129-D132 CarbonylContact O-C 3.06Å; P129-D132 WeakPolarHBondContact O-CA 3.5Å; P129-D132 WeakPolarHBondContact O-CB 3.21Å; P129-D132 PolarHBondContact O-N 3.38Å; L130-D132 PolarHBondContact O-N 2.88Å; L130-D132 VanDerWaalsContact O-N 3.14Å
133	V	96.8	Very high	96.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-101.8	144	168.8	178.6	0	0	0	0	108.7	Y55 I102 M128 P129 L130 Y135 G136 N137 Y180	Y55-V133 WeakPolarHBondContact OH-CA 3.43Å; I102-V133 HydrophobicContact CD1-CG2 4.37Å; I102-V133 HydrophobicContact CG1-CG2 4.2Å; M128-V133 HydrophobicContact CG-CG2 3.75Å; M128-V133 HydrophobicContact SD-CG2 4.06Å; P129-V133 PolarHBondContact O-N 3.11Å; L130-V133 WeakPolarHBondContact O-CB 3.4Å; L130-V133 PolarHBondContact O-N 3.44Å; V133-Y135 VanDerWaalsContact C-N 3.26Å; V133-Y135 HydrophobicContact CG1-CD1 3.66Å; V133-Y135 HydrophobicContact CG1-CD2 4.28Å; V133-Y135 HydrophobicContact CG1-CE1 3.25Å; V133-Y135 HydrophobicContact CG1-CE2 3.93Å; V133-Y135 HydrophobicContact CG1-CG 4.14Å; V133-Y135 PolarHBondContact O-N 2.88Å; V133-Y135 VanDerWaalsContact O-N 3.08Å; V133-G136 CarbonylContact O-C 3.6Å; V133-G136 WeakPolarHBondContact O-CA 3.49Å; V133-G136 PolarHBondContact O-N 3.23Å; V133-N137 VanDerWaalsContact O-CB 3.32Å; V133-N137 WeakPolarHBondContact O-CB 3.37Å; V133-N137 PolarHBondContact O-N 3.07Å; V133-Y180 HydrophobicContact CG2-CD2 3.81Å; V133-Y180 HydrophobicContact CG2-CE2 3.68Å
134	L	97.1	Very high	97	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-48.2	-47.5	-172.8	177.4	55.9	0	0	0	113	C52 Y55 L59 K66 I71 H100 G136 V138	C52-L134 HydrophobicContact CB-CD1 4.37Å; Y55-L134 HydrophobicContact CD1-CB 3.65Å; Y55-L134 HydrophobicContact CD1-CD1 3.79Å; Y55-L134 HydrophobicContact CD1-CG 4.19Å; Y55-L134 HydrophobicContact CE1-CB 3.65Å; Y55-L134 HydrophobicContact CG-CB 4.36Å; Y55-L134 HydrophobicContact CG-CD1 3.97Å; L59-L134 HydrophobicContact CD1-CD2 4.3Å; K66-L134 HydrophobicContact CB-CD2 4.26Å; K66-L134 HydrophobicContact CD-CD2 3.92Å; K66-L134 HydrophobicContact CG-CD2 3.87Å; I71-L134 HydrophobicContact CD1-CD2 4.07Å; H100-L134 PolarHBondContact NE2-N 3.46Å; H100-L134 VanDerWaalsContact NE2-N 3.13Å; L134-G136 VanDerWaalsContact C-N 3.33Å; L134-G136 PolarHBondContact O-N 3.21Å; L134-V138 HydrophobicContact CD1-CG1 4.11Å; L134-V138 WeakPolarHBondContact O-CG1 3.47Å; L134-V138 WeakPolarHBondContact O-CG2 3.25Å; L134-V138 PolarHBondContact O-N 3.31Å
135	Y	98	Very high	97.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-79.1	-8.4	-179	58.5	-104.4	0	0	0	114.8	I95 S98 L130 V133 Y172 A176 Q179 Y180	I95-Y135 HydrophobicContact CD1-CD2 4.02Å; I95-Y135 HydrophobicContact CD1-CG 4.09Å; S98-Y135 VanDerWaalsContact OG-CB 3.3Å; S98-Y135 WeakPolarHBondContact OG-CB 3.35Å; L130-Y135 HydrophobicContact CD1-CD2 3.95Å; L130-Y135 HydrophobicContact CD1-CE2 3.51Å; V133-Y135 VanDerWaalsContact C-N 3.26Å; V133-Y135 HydrophobicContact CG1-CD1 3.66Å; V133-Y135 HydrophobicContact CG1-CD2 4.28Å; V133-Y135 HydrophobicContact CG1-CE1 3.25Å; V133-Y135 HydrophobicContact CG1-CE2 3.93Å; V133-Y135 HydrophobicContact CG1-CG 4.14Å; V133-Y135 PolarHBondContact O-N 2.88Å; V133-Y135 VanDerWaalsContact O-N 3.08Å; Y135-Y172 VanDerWaalsContact O-CZ 3.29Å; Y135-Y172 PolarHBondContact O-OH 3.37Å; Y135-A176 HydrophobicContact CD2-CB 4.02Å; Y135-A176 HydrophobicContact CE2-CB 4.33Å; Y135-Q179 HydrophobicContact CE1-CG 4.43Å; Y135-Q179 HydrophobicContact CE2-CB 4.49Å; Y135-Y180 VanDerWaalsContact OH-CA 3.28Å; Y135-Y180 WeakPolarHBondContact OH-CA 3.42Å; Y135-Y180 PolarHBondContact OH-N 3.45Å
136	G	98.1	Very high	97.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-93.7	-44.1	165.3	0	0	0	0	0	111.1	L130 V133 L134 V138 G139 D140	L130-G136 VanDerWaalsContact O-CA 3.32Å; L130-G136 WeakPolarHBondContact O-CA 3.46Å; V133-G136 CarbonylContact O-C 3.6Å; V133-G136 WeakPolarHBondContact O-CA 3.49Å; V133-G136 PolarHBondContact O-N 3.23Å; L134-G136 VanDerWaalsContact C-N 3.33Å; L134-G136 PolarHBondContact O-N 3.21Å; G136-V138 VanDerWaalsContact C-N 3.33Å; G136-V138 PolarHBondContact O-N 3.27Å; G136-G139 PolarHBondContact O-N 3.15Å; G136-D140 PolarHBondContact O-N 3.29Å
137	N	97.3	Very high	97.5	Very high	27 Å²	27	18 Å²	18	14%	0.144	9%	0.086	C	C	.	.	H	α-helix	trans	-54.3	-43.2	-176.9	-172.4	-93.9	0	0	0	113.5	R51 Y55 C131 V133 G139 D140	R51-N137 VanDerWaalsContact CD-O 3.3Å; R51-N137 WeakPolarHBondContact CD-O 3.16Å; R51-N137 PolarHBondContact NH1-O 3.47Å; Y55-N137 HydrophobicContact CD2-CB 4.25Å; C131-N137 WeakPolarHBondContact O-CA 3.28Å; C131-N137 VanDerWaalsContact O-CB 3.22Å; C131-N137 WeakPolarHBondContact O-CB 3.33Å; C131-N137 PolarHBondContact O-N 2.64Å; C131-N137 PolarHBondContact O-ND2 2.92Å; C131-N137 VanDerWaalsContact O-ND2 3.09Å; V133-N137 VanDerWaalsContact O-CB 3.32Å; V133-N137 WeakPolarHBondContact O-CB 3.37Å; V133-N137 PolarHBondContact O-N 3.07Å; N137-G139 PolarHBondContact O-N 3.05Å; N137-D140 PolarHBondContact O-N 3.37Å
138	V	98.3	Very high	97.1	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-20.8	-179.5	-63.9	0	0	0	0	113.9	F48 R51 C52 F94 L134 G136 L142	F48-V138 HydrophobicContact CD1-CB 4.46Å; F48-V138 HydrophobicContact CD2-CB 3.71Å; F48-V138 HydrophobicContact CD2-CG2 4.02Å; F48-V138 HydrophobicContact CE1-CB 4.37Å; F48-V138 HydrophobicContact CE1-CG1 4.43Å; F48-V138 HydrophobicContact CE2-CB 3.62Å; F48-V138 HydrophobicContact CE2-CG1 4.5Å; F48-V138 HydrophobicContact CE2-CG2 3.41Å; F48-V138 VanDerWaalsContact CE2-CG2 3.41Å; F48-V138 HydrophobicContact CG-CB 4.15Å; F48-V138 HydrophobicContact CZ-CB 3.97Å; F48-V138 HydrophobicContact CZ-CG1 4.41Å; F48-V138 HydrophobicContact CZ-CG2 3.71Å; R51-V138 HydrophobicContact CB-CG1 4.4Å; C52-V138 HydrophobicContact CB-CG1 3.94Å; F94-V138 HydrophobicContact CE2-CG2 3.97Å; F94-V138 HydrophobicContact CZ-CG2 3.84Å; L134-V138 HydrophobicContact CD1-CG1 4.11Å; L134-V138 WeakPolarHBondContact O-CG1 3.47Å; L134-V138 WeakPolarHBondContact O-CG2 3.25Å; L134-V138 PolarHBondContact O-N 3.31Å; G136-V138 VanDerWaalsContact C-N 3.33Å; G136-V138 PolarHBondContact O-N 3.27Å; V138-L142 WeakPolarHBondContact O-CD1 3.44Å
139	G	97.6	Very high	96.5	Very high	1 Å²	1	27 Å²	27	1%	0.01	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-8.2	177.8	0	0	0	0	0	114.2	G136 N137 F141 L142 Y172	G136-G139 PolarHBondContact O-N 3.15Å; N137-G139 PolarHBondContact O-N 3.05Å; G139-F141 PolarHBondContact O-N 2.99Å; G139-L142 PolarHBondContact O-N 3.04Å; G139-Y172 WeakPolarHBondContact CA-OH 3.23Å; G139-Y172 PolarHBondContact N-OH 3.4Å
140	D	98	Very high	96.1	Very high	10 Å²	10	29 Å²	29	5%	0.053	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	128	-170.7	-170.5	40.1	0	0	0	113.6	R51 H114 C131 G136 N137 L142	R51-D140 VanDerWaalsContact CZ-O 3.32Å; R51-D140 PolarHBondContact NH1-O 2.95Å; R51-D140 PolarHBondContact NH2-O 2.8Å; H114-D140 IonicContact CE1-OD1 2.92Å; H114-D140 PolarHBondContact CE1-OD1 3.25Å; H114-D140 IonicContact NE2-OD1 3.54Å; H114-D140 PolarHBondContact NE2-OD1 2.96Å; H114-D140 IonicContact NE2-OD2 2.75Å; C131-D140 HydrophobicContact CB-CB 4.28Å; G136-D140 PolarHBondContact O-N 3.29Å; N137-D140 PolarHBondContact O-N 3.37Å; D140-L142 WeakPolarHBondContact O-CG 3.23Å; D140-L142 PolarHBondContact O-N 2.74Å; D140-L142 VanDerWaalsContact O-N 3.07Å
141	F	97.6	Very high	95.7	Very high	118 Å²	118	33.7 Å²	33.7	52%	0.518	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	10.3	-170.4	-64.7	-73.9	0	0	0	116.9	H114 L115 M118 G139	H114-F141 AromaticContact CE1-CD2 3.89Å; H114-F141 AromaticContact CE1-CE1 3.55Å; H114-F141 AromaticContact CE1-CE2 3.44Å; H114-F141 VanDerWaalsContact CE1-CE2 3.44Å; H114-F141 WeakPolarHBondContact CE1-CE2 3.49Å; H114-F141 AromaticContact CE1-CZ 3.23Å; H114-F141 WeakPolarHBondContact CE1-CZ 3.41Å; H114-F141 AromaticContact CG-CZ 3.89Å; H114-F141 AromaticContact ND1-CE1 3.3Å; H114-F141 VanDerWaalsContact ND1-CE1 3.3Å; H114-F141 WeakPolarHBondContact ND1-CE1 3.16Å; H114-F141 AromaticContact ND1-CE2 3.9Å; H114-F141 AromaticContact ND1-CZ 3.18Å; H114-F141 WeakPolarHBondContact ND1-CZ 3.18Å; H114-F141 AromaticContact NE2-CE2 3.96Å; H114-F141 AromaticContact NE2-CZ 3.96Å; L115-F141 HydrophobicContact CD2-CE2 4.34Å; L115-F141 HydrophobicContact CD2-CZ 3.65Å; M118-F141 HydrophobicContact CE-CE2 4.01Å; M118-F141 HydrophobicContact SD-CD2 4.4Å; M118-F141 HydrophobicContact SD-CE2 3.41Å; M118-F141 WeakPolarHBondContact SD-CE2 3.15Å; M118-F141 HydrophobicContact SD-CZ 4.04Å; G139-F141 PolarHBondContact O-N 2.99Å
142	L	98.4	Very high	95.6	Very high	16 Å²	16	35 Å²	35	8%	0.084	20%	0.196	C	C	.	.			trans	-93.9	152.7	177.7	-48.9	-173.3	0	0	0	110.4	T41 L44 I47 V138 G139 D140 W144	T41-L142 HydrophobicContact CG2-CD2 4.07Å; L44-L142 HydrophobicContact CD1-CB 4.27Å; L44-L142 HydrophobicContact CD1-CD1 3.89Å; I47-L142 HydrophobicContact CG2-CD1 4.01Å; I47-L142 HydrophobicContact CG2-CD2 4.08Å; V138-L142 WeakPolarHBondContact O-CD1 3.44Å; G139-L142 PolarHBondContact O-N 3.04Å; D140-L142 WeakPolarHBondContact O-CG 3.23Å; D140-L142 PolarHBondContact O-N 2.74Å; D140-L142 VanDerWaalsContact O-N 3.07Å; L142-W144 HydrophobicContact CB-CE3 4Å; L142-W144 HydrophobicContact CB-CZ3 3.85Å; L142-W144 WeakPolarHBondContact O-CZ3 3.42Å
143	S	98.3	Very high	95.7	Very high	14 Å²	14	36.2 Å²	36.2	10%	0.098	20%	0.203	C	C	.	.			trans	-125.3	148	170.6	-179	0	0	0	0	109	P38 G39 T40 T41	P38-S143 PolarHBondContact O-OG 2.89Å; G39-S143 WeakPolarHBondContact O-CB 3.33Å; T40-S143 CarbonylContact C-O 3.34Å; T40-S143 VanDerWaalsContact CA-O 3.3Å; T40-S143 WeakPolarHBondContact CA-O 3.44Å; T41-S143 PolarHBondContact N-O 3.24Å; T41-S143 PolarHBondContact OG1-N 2.79Å; T41-S143 PolarHBondContact OG1-O 3.14Å
144	W	98.6	Very high	95.7	Very high	1 Å²	1	37 Å²	37	0%	0.004	21%	0.207	C	C	.	.			trans	-159.3	142.2	178.4	58.7	89.7	0	0	0	112	T40 L44 F75 L79 Y91 L142 C158 V169 Y172	T40-W144 HydrophobicContact CG2-CB 4.16Å; L44-W144 HydrophobicContact CD1-CE3 4.46Å; L44-W144 HydrophobicContact CD2-CB 3.65Å; L44-W144 HydrophobicContact CD2-CG 4.42Å; F75-W144 HydrophobicContact CE2-CD2 4.2Å; F75-W144 AromaticContact CE2-CE2 3.62Å; F75-W144 HydrophobicContact CE2-CH2 4.24Å; F75-W144 AromaticContact CE2-CZ2 3.63Å; F75-W144 HydrophobicContact CE2-CZ2 3.63Å; F75-W144 AromaticContact CE2-NE1 3.84Å; F75-W144 AromaticContact CZ-CD1 3.94Å; F75-W144 AromaticContact CZ-CD2 3.65Å; F75-W144 HydrophobicContact CZ-CD2 3.65Å; F75-W144 AromaticContact CZ-CE2 3.53Å; F75-W144 HydrophobicContact CZ-CE3 4.2Å; F75-W144 AromaticContact CZ-CG 3.93Å; F75-W144 HydrophobicContact CZ-CG 3.93Å; F75-W144 AromaticContact CZ-CZ2 3.98Å; F75-W144 HydrophobicContact CZ-CZ2 3.98Å; F75-W144 AromaticContact CZ-NE1 3.67Å; L79-W144 HydrophobicContact CD2-CB 3.98Å; L79-W144 HydrophobicContact CD2-CG 4.08Å; Y91-W144 PolarHBondContact OH-NE1 3.26Å; L142-W144 HydrophobicContact CB-CE3 4Å; L142-W144 HydrophobicContact CB-CZ3 3.85Å; L142-W144 WeakPolarHBondContact O-CZ3 3.42Å; W144-C158 VanDerWaalsContact C-SG 3.54Å; W144-V169 HydrophobicContact CD2-CG2 4.02Å; W144-V169 HydrophobicContact CE3-CG2 4.25Å; W144-V169 HydrophobicContact CG-CG2 4.44Å; W144-V169 HydrophobicContact CZ2-CG2 4.35Å; W144-V169 HydrophobicContact CZ3-CG2 4.48Å; W144-Y172 AromaticContact CH2-CD1 3.79Å; W144-Y172 HydrophobicContact CH2-CD1 3.79Å; W144-Y172 HydrophobicContact CH2-CD2 4.13Å; W144-Y172 HydrophobicContact CH2-CE1 4.05Å; W144-Y172 HydrophobicContact CH2-CE2 4.3Å; W144-Y172 AromaticContact CH2-CG 3.84Å; W144-Y172 HydrophobicContact CH2-CG 3.84Å; W144-Y172 AromaticContact CZ2-CD1 3.95Å; W144-Y172 HydrophobicContact CZ2-CD1 3.95Å; W144-Y172 AromaticContact CZ2-CD2 3.65Å; W144-Y172 HydrophobicContact CZ2-CD2 3.65Å; W144-Y172 HydrophobicContact CZ2-CE1 4.5Å; W144-Y172 HydrophobicContact CZ2-CE2 4.17Å; W144-Y172 AromaticContact CZ2-CG 3.49Å; W144-Y172 HydrophobicContact CZ2-CG 3.49Å; W144-Y172 VanDerWaalsContact CZ2-CG 3.49Å
145	C	97.9	Very high	95.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	23%	0.231	C	C	.	.			trans	-164.6	157.5	169.7	61.5	0	0	0	0	110.6	T40 P83 L153 D154 S157 C158	T40-C145 PolarHBondContact OG1-N 2.92Å; T40-C145 PolarHBondContact OG1-O 3.2Å; P83-C145 HydrophobicContact CB-CB 4.2Å; C145-L153 WeakPolarHBondContact O-CA 3.44Å; C145-D154 PolarHBondContact O-N 2.76Å; C145-S157 PolarHBondContact SG-O 2.99Å; C145-C158 HydrophobicContact CB-CB 3.77Å; C145-C158 WeakPolarHBondContact CB-SG 3.47Å; C145-C158 PolarHBondContact N-SG 2.66Å; C145-C158 WeakPolarHBondContact SG-CA 3.48Å; C145-C158 WeakPolarHBondContact SG-CB 3.44Å; C145-C158 CovalentContact SG-SG 2.04Å; C145-C158 PolarHBondContact SG-SG 3.43Å
146	R	96.9	Very high	95.6	Very high	51 Å²	51	47.7 Å²	47.7	19%	0.192	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-80.1	153	169.7	-158.8	-172.1	79.4	-169.4	-2.1	110.2	L79 D80 K81 P83 E148 A150 G152	L79-R146 WeakPolarHBondContact O-CB 3.39Å; L79-R146 WeakPolarHBondContact O-CD 3.28Å; L79-R146 WeakPolarHBondContact O-CG 3.42Å; D80-R146 PolarHBondContact O-NH1 3.35Å; K81-R146 WeakPolarHBondContact O-CB 3.34Å; K81-R146 WeakPolarHBondContact O-CD 3.43Å; K81-R146 PolarHBondContact O-NE 3.06Å; K81-R146 PolarHBondContact O-NH1 3.43Å; P83-R146 WeakPolarHBondContact CB-O 3.3Å; P83-R146 WeakPolarHBondContact CG-O 3.4Å; R146-E148 PolarHBondContact NH2-O 2.99Å; R146-A150 PolarHBondContact NE-O 3.05Å; R146-G152 WeakPolarHBondContact CG-O 3.45Å
147	Q	95	Very high	95.6	Very high	74 Å²	74	47.8 Å²	47.8	35%	0.346	25%	0.253	S	S	.	.			trans	-62.1	143.5	162.5	-67.1	175.4	5.8	0	0	110.4	A150 G152 L153 D154	Q147-A150 HydrophobicContact CB-CB 4Å; Q147-G152 WeakPolarHBondContact CB-O 3.32Å; Q147-G152 WeakPolarHBondContact CG-O 3.38Å; Q147-G152 PolarHBondContact N-O 3.41Å; Q147-L153 PolarHBondContact NE2-O 3.33Å; Q147-D154 HydrophobicContact CG-CB 3.78Å
148	E	88.3	Confident	95.6	Very high	69 Å²	69	46.6 Å²	46.6	32%	0.322	25%	0.247	S	C	.	.	S	Bend	trans	-62.8	-48.2	178.5	-170.7	177.9	-178.4	0	0	110.6	R34 P83 R146	R34-E148 IonicContact CZ-OE2 2.59Å; R34-E148 IonicContact NE-OE2 3.79Å; R34-E148 PolarHBondContact NE-OE2 3.03Å; R34-E148 IonicContact NH2-OE1 2.84Å; R34-E148 IonicContact NH2-OE2 2.85Å; R34-E148 PolarHBondContact NH2-OE2 3.07Å; P83-E148 HydrophobicContact CG-CB 4.42Å; R146-E148 PolarHBondContact NH2-O 2.99Å
149	N	86.3	Confident	95.5	Very high	153 Å²	153	47 Å²	47	82%	0.818	25%	0.249	S	C	*	.	S	Bend	trans	-105.1	12.9	-171.1	-63.3	-49.5	0	0	0	114.6
150	A	88.9	Confident	95.5	Very high	42 Å²	42	48.7 Å²	48.7	35%	0.347	26%	0.26	S	S	.	.	S	Bend	trans	-152.6	165.1	-177.9	0	0	0	0	0	111.1	R146 Q147 G152	R146-A150 PolarHBondContact NE-O 3.05Å; Q147-A150 HydrophobicContact CB-CB 4Å; A150-G152 VanDerWaalsContact C-N 3.33Å
151	S	89.6	Confident	95.3	Very high	112 Å²	112	52.2 Å²	52.2	78%	0.783	29%	0.285	S	S	*	.	S	Bend	trans	-84.8	-5.3	179.9	55.8	0	0	0	0	114.1
152	G	94.9	Very high	95.1	Very high	31 Å²	31	55 Å²	55	32%	0.32	30%	0.299	S	S	.	.	S	Bend	trans	-78.1	164.8	178.4	0	0	0	0	0	112.8	R146 Q147 A150	R146-G152 WeakPolarHBondContact CG-O 3.45Å; Q147-G152 WeakPolarHBondContact CB-O 3.32Å; Q147-G152 WeakPolarHBondContact CG-O 3.38Å; Q147-G152 PolarHBondContact N-O 3.41Å; A150-G152 VanDerWaalsContact C-N 3.33Å
153	L	97.2	Very high	95	Very high	39 Å²	39	57 Å²	57	20%	0.204	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-73.9	143.8	169.2	-61.3	171.8	0	0	0	110.4	T40 L79 C145 Q147 Y155	T40-L153 HydrophobicContact CG2-CB 4.2Å; T40-L153 HydrophobicContact CG2-CD1 4.06Å; L79-L153 HydrophobicContact CB-CD2 3.94Å; L79-L153 HydrophobicContact CD1-CD2 3.91Å; L79-L153 HydrophobicContact CD2-CD2 3.94Å; L79-L153 HydrophobicContact CG-CD2 4.13Å; C145-L153 WeakPolarHBondContact O-CA 3.44Å; Q147-L153 PolarHBondContact NE2-O 3.33Å; L153-Y155 HydrophobicContact CB-CD2 4.36Å; L153-Y155 HydrophobicContact CB-CE2 3.82Å; L153-Y155 PolarHBondContact O-N 2.85Å
154	D	97.4	Very high	94.8	Very high	18 Å²	18	57.4 Å²	57.4	10%	0.096	31%	0.313	C	S	.	.			trans	-89.7	104	173.6	-166.8	-26	0	0	0	109	T40 C145 Q147 Q156 S157	T40-D154 WeakPolarHBondContact CB-O 3.44Å; T40-D154 PolarHBondContact N-O 2.98Å; T40-D154 PolarHBondContact OG1-O 2.04Å; C145-D154 PolarHBondContact O-N 2.76Å; Q147-D154 HydrophobicContact CG-CB 3.78Å; D154-Q156 VanDerWaalsContact C-N 3.34Å; D154-Q156 WeakPolarHBondContact OD1-CA 3.42Å; D154-Q156 WeakPolarHBondContact OD1-CB 3.48Å; D154-Q156 PolarHBondContact OD1-N 3.42Å; D154-S157 PolarHBondContact OD1-N 3.34Å; D154-S157 VanDerWaalsContact OD1-N 3.12Å
155	Y	97.1	Very high	94.7	Very high	129 Å²	129	63.6 Å²	63.6	51%	0.506	34%	0.342	S	S	.	.	S	Bend	trans	-86.2	-7.2	176.9	-69.3	-80.6	0	0	0	113	T40 L153	T40-Y155 HydrophobicContact CG2-CD1 4.38Å; T40-Y155 HydrophobicContact CG2-CE1 4.01Å; T40-Y155 WeakPolarHBondContact O-CD1 3.48Å; L153-Y155 HydrophobicContact CB-CD2 4.36Å; L153-Y155 HydrophobicContact CB-CE2 3.82Å; L153-Y155 PolarHBondContact O-N 2.85Å
156	Q	96.3	Very high	94.6	Very high	95 Å²	95	66.1 Å²	66.1	44%	0.444	36%	0.355	S	S	.	.	S	Bend	trans	-87.8	-46.7	-176.4	-177.2	177	1.1	0	0	111.1	A31 A32 D154	A31-Q156 PolarHBondContact O-NE2 3.05Å; A32-Q156 PolarHBondContact O-NE2 2.99Å; D154-Q156 VanDerWaalsContact C-N 3.34Å; D154-Q156 WeakPolarHBondContact OD1-CA 3.42Å; D154-Q156 WeakPolarHBondContact OD1-CB 3.48Å; D154-Q156 PolarHBondContact OD1-N 3.42Å
157	S	97	Very high	94.7	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.007	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	153.4	-177.9	55	0	0	0	0	110.7	R34 W35 G37 C145 D154	R34-S157 PolarHBondContact N-OG 3.19Å; R34-S157 VanDerWaalsContact N-OG 3.11Å; W35-S157 VanDerWaalsContact CD1-O 3.31Å; W35-S157 PolarHBondContact N-OG 2.64Å; W35-S157 WeakPolarHBondContact O-CB 3.29Å; G37-S157 VanDerWaalsContact O-CA 3.3Å; G37-S157 WeakPolarHBondContact O-CA 3.24Å; C145-S157 PolarHBondContact SG-O 2.99Å; D154-S157 PolarHBondContact OD1-N 3.34Å; D154-S157 VanDerWaalsContact OD1-N 3.12Å
158	C	97.8	Very high	94.8	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.02	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.9	171.9	-72.5	0	0	0	0	111.4	W35 G37 P38 W144 C145	W35-C158 WeakPolarHBondContact CB-O 3.48Å; G37-C158 CarbonylContact C-O 3.54Å; G37-C158 WeakPolarHBondContact CA-O 3.32Å; G37-C158 PolarHBondContact N-O 2.97Å; G37-C158 PolarHBondContact O-N 3.48Å; G37-C158 VanDerWaalsContact O-N 3.09Å; P38-C158 WeakPolarHBondContact O-CB 3.47Å; P38-C158 PolarHBondContact O-N 2.78Å; W144-C158 VanDerWaalsContact C-SG 3.54Å; C145-C158 HydrophobicContact CB-CB 3.77Å; C145-C158 WeakPolarHBondContact CB-SG 3.47Å; C145-C158 PolarHBondContact N-SG 2.66Å; C145-C158 WeakPolarHBondContact SG-CA 3.48Å; C145-C158 WeakPolarHBondContact SG-CB 3.44Å; C145-C158 CovalentContact SG-SG 2.04Å; C145-C158 PolarHBondContact SG-SG 3.43Å
159	P	97.4	Very high	95.3	Very high	8 Å²	8	58.4 Å²	58.4	5%	0.052	32%	0.324	C	S	.	.			trans	-62.2	139.5	-179.8	-13	23.2	0	0	0	111.6	W35 P83 D163 C164 N167	W35-P159 HydrophobicContact CD2-CB 4.1Å; W35-P159 HydrophobicContact CD2-CG 3.67Å; W35-P159 HydrophobicContact CE3-CB 4Å; W35-P159 HydrophobicContact CE3-CG 3.97Å; W35-P159 HydrophobicContact CG-CB 4.44Å; W35-P159 HydrophobicContact CG-CG 4.03Å; W35-P159 HydrophobicContact CH2-CG 4.46Å; W35-P159 HydrophobicContact CZ2-CG 4.21Å; W35-P159 HydrophobicContact CZ3-CB 4.47Å; W35-P159 HydrophobicContact CZ3-CG 4.34Å; P83-P159 HydrophobicContact CB-CG 3.95Å; P159-D163 WeakPolarHBondContact CA-OD2 3.4Å; P159-D163 HydrophobicContact CB-CB 3.88Å; P159-C164 WeakPolarHBondContact CB-SG 3.06Å; P159-N167 HydrophobicContact CB-CB 3.89Å; P159-N167 HydrophobicContact CG-CB 4.39Å
160	T	96.3	Very high	95.9	Very high	38 Å²	38	52.4 Å²	52.4	23%	0.233	29%	0.292	C	S	.	.			trans	-99.9	177.8	166.3	69.5	0	0	0	0	110.6	S36 G37 E162 D163 C164	S36-T160 VanDerWaalsContact OG-CG2 3.26Å; S36-T160 WeakPolarHBondContact OG-CG2 3.31Å; S36-T160 PolarHBondContact OG-OG1 3.26Å; G37-T160 VanDerWaalsContact CA-CG2 3.46Å; T160-E162 PolarHBondContact O-N 3.19Å; T160-E162 VanDerWaalsContact O-N 3.16Å; T160-E162 PolarHBondContact OG1-N 3.02Å; T160-D163 PolarHBondContact N-OD2 2.86Å; T160-D163 PolarHBondContact O-N 3.42Å; T160-D163 PolarHBondContact OG1-OD2 3.12Å; T160-C164 PolarHBondContact O-N 2.81Å; T160-C164 VanDerWaalsContact O-O 3.09Å
161	S	93.2	Very high	96.3	Very high	83 Å²	83	50.4 Å²	50.4	58%	0.58	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-26.8	170.6	55.6	0	0	0	0	114.4	D170	S161-D170 WeakPolarHBondContact CA-OD2 3.17Å; S161-D170 VanDerWaalsContact CB-OD2 3.28Å; S161-D170 WeakPolarHBondContact CB-OD2 3.46Å; S161-D170 PolarHBondContact N-OD2 2.75Å; S161-D170 VanDerWaalsContact N-OD2 3.17Å
162	E	93.8	Very high	96.8	Very high	176 Å²	176	45.1 Å²	45.1	82%	0.822	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-31	175.8	-62.6	-172.4	169.1	0	0	112.3	T160	T160-E162 PolarHBondContact O-N 3.19Å; T160-E162 VanDerWaalsContact O-N 3.16Å; T160-E162 PolarHBondContact OG1-N 3.02Å
163	D	96	Very high	96.9	Very high	60 Å²	60	45.9 Å²	45.9	32%	0.321	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-48.4	177.1	-64.2	-55.5	0	0	0	110.9	W35 S36 P159 T160	W35-D163 HydrophobicContact CE3-CB 3.88Å; W35-D163 HydrophobicContact CZ3-CB 4.26Å; S36-D163 WeakPolarHBondContact CB-OD2 3.39Å; S36-D163 PolarHBondContact N-OD2 2.81Å; S36-D163 PolarHBondContact OG-OD2 2.76Å; P159-D163 WeakPolarHBondContact CA-OD2 3.4Å; P159-D163 HydrophobicContact CB-CB 3.88Å; T160-D163 PolarHBondContact N-OD2 2.86Å; T160-D163 PolarHBondContact O-N 3.42Å; T160-D163 PolarHBondContact OG1-OD2 3.12Å
164	C	95.6	Very high	97	Very high	22 Å²	22	44.9 Å²	44.9	15%	0.149	23%	0.225	C	C	.	.			trans	-164.3	141.8	175.5	59.1	0	0	0	0	112.7	C84 P159 T160 N166 N167	C84-C164 WeakPolarHBondContact CA-SG 3.28Å; C84-C164 HydrophobicContact CB-CB 3.65Å; C84-C164 WeakPolarHBondContact CB-SG 3.47Å; C84-C164 WeakPolarHBondContact SG-CB 3.3Å; C84-C164 CovalentContact SG-SG 2.04Å; C84-C164 PolarHBondContact SG-SG 3.17Å; P159-C164 WeakPolarHBondContact CB-SG 3.06Å; T160-C164 PolarHBondContact O-N 2.81Å; T160-C164 VanDerWaalsContact O-O 3.09Å; C164-N166 PolarHBondContact O-N 2.89Å; C164-N167 PolarHBondContact O-ND2 3.48Å
165	E	94.9	Very high	97.1	Very high	131 Å²	131	44.4 Å²	44.4	61%	0.612	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-34.2	-176.4	-177.5	-178.5	176.7	0	0	114.1	N167 K174	E165-N167 PolarHBondContact O-N 3.09Å; E165-K174 PolarHBondContact O-NZ 3.47Å; E165-K174 IonicContact OE1-NZ 3.1Å
166	N	97.4	Very high	97.2	Very high	54 Å²	54	38.2 Å²	38.2	29%	0.289	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	47.4	-173	-67.1	-32.7	0	0	0	111.4	C84 S85 V86 L87 C164	C84-N166 CarbonylContact C-O 3.55Å; C84-N166 WeakPolarHBondContact CA-O 3.46Å; C84-N166 WeakPolarHBondContact O-CB 3Å; S85-N166 PolarHBondContact N-O 2.97Å; V86-N166 PolarHBondContact N-O 2.98Å; V86-N166 CarbonylContact O-C 3.49Å; V86-N166 WeakPolarHBondContact O-CA 3.45Å; V86-N166 WeakPolarHBondContact O-CB 3.32Å; V86-N166 VanDerWaalsContact O-O 3.12Å; L87-N166 HydrophobicContact CD2-CB 4.42Å; C164-N166 PolarHBondContact O-N 2.89Å
167	N	98.1	Very high	97.3	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.011	18%	0.179	C	C	.	.			trans	-84.3	160	173.1	71.1	74	0	0	0	111.8	P83 P159 C164 E165 V169 D170 S171	P83-N167 WeakPolarHBondContact O-CA 3.5Å; P159-N167 HydrophobicContact CB-CB 3.89Å; P159-N167 HydrophobicContact CG-CB 4.39Å; C164-N167 PolarHBondContact O-ND2 3.48Å; E165-N167 PolarHBondContact O-N 3.09Å; N167-V169 PolarHBondContact O-N 2.89Å; N167-V169 PolarHBondContact OD1-N 3.4Å; N167-D170 VanDerWaalsContact ND2-CG 3.32Å; N167-D170 PolarHBondContact ND2-OD2 3.05Å; N167-D170 WeakPolarHBondContact OD1-CB 3.21Å; N167-D170 PolarHBondContact OD1-N 3.22Å; N167-S171 VanDerWaalsContact O-CB 3.23Å; N167-S171 WeakPolarHBondContact O-CB 3.46Å; N167-S171 PolarHBondContact O-N 3.15Å; N167-S171 PolarHBondContact O-OG 3.17Å
168	A	98.1	Very high	97.4	Very high	3 Å²	3	35 Å²	35	3%	0.025	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-39.6	-172.1	0	0	0	0	0	113.6	V86 Y91 Y172	V86-A168 HydrophobicContact CB-CB 4.43Å; V86-A168 HydrophobicContact CG1-CB 4.46Å; V86-A168 HydrophobicContact CG2-CB 4.09Å; Y91-A168 WeakPolarHBondContact CE2-O 3.49Å; Y91-A168 PolarHBondContact OH-O 3.36Å; A168-Y172 WeakPolarHBondContact O-CB 3.27Å; A168-Y172 PolarHBondContact O-N 2.76Å; A168-Y172 VanDerWaalsContact O-N 3.15Å
169	V	98.4	Very high	97.4	Very high	26 Å²	26	35.8 Å²	35.8	16%	0.158	19%	0.188	C	C	.	.	H	α-helix	trans	-77	-46.3	-175.4	175.7	0	0	0	0	111	W144 N167 S171 Y172 W173	W144-V169 HydrophobicContact CD2-CG2 4.02Å; W144-V169 HydrophobicContact CE3-CG2 4.25Å; W144-V169 HydrophobicContact CG-CG2 4.44Å; W144-V169 HydrophobicContact CZ2-CG2 4.35Å; W144-V169 HydrophobicContact CZ3-CG2 4.48Å; N167-V169 PolarHBondContact O-N 2.89Å; N167-V169 PolarHBondContact OD1-N 3.4Å; V169-S171 PolarHBondContact O-N 2.85Å; V169-Y172 VanDerWaalsContact O-CB 3.32Å; V169-Y172 WeakPolarHBondContact O-CB 3.44Å; V169-Y172 PolarHBondContact O-N 2.92Å; V169-W173 PolarHBondContact O-N 2.04Å
170	D	98.1	Very high	97.5	Very high	28 Å²	28	35.4 Å²	35.4	15%	0.15	19%	0.186	C	C	.	.	H	α-helix	trans	-65.5	-41.6	178.5	-71.9	-17.2	0	0	0	111.2	S161 N167 Y172 W173 K174	S161-D170 WeakPolarHBondContact CA-OD2 3.17Å; S161-D170 VanDerWaalsContact CB-OD2 3.28Å; S161-D170 WeakPolarHBondContact CB-OD2 3.46Å; S161-D170 PolarHBondContact N-OD2 2.75Å; S161-D170 VanDerWaalsContact N-OD2 3.17Å; N167-D170 VanDerWaalsContact ND2-CG 3.32Å; N167-D170 PolarHBondContact ND2-OD2 3.05Å; N167-D170 WeakPolarHBondContact OD1-CB 3.21Å; N167-D170 PolarHBondContact OD1-N 3.22Å; D170-Y172 VanDerWaalsContact C-N 3.27Å; D170-Y172 PolarHBondContact O-N 3.43Å; D170-W173 PolarHBondContact O-N 2.85Å; D170-K174 WeakPolarHBondContact O-CB 3.46Å; D170-K174 WeakPolarHBondContact O-CG 3.49Å; D170-K174 PolarHBondContact O-N 3.3Å
171	S	98.6	Very high	97.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-33.6	175.4	-76.4	0	0	0	0	113	V86 P88 N167 V169 S175	V86-S171 WeakPolarHBondContact O-CB 3.33Å; V86-S171 PolarHBondContact O-OG 2.79Å; P88-S171 WeakPolarHBondContact CA-O 3.48Å; N167-S171 VanDerWaalsContact O-CB 3.23Å; N167-S171 WeakPolarHBondContact O-CB 3.46Å; N167-S171 PolarHBondContact O-N 3.15Å; N167-S171 PolarHBondContact O-OG 3.17Å; V169-S171 PolarHBondContact O-N 2.85Å; S171-S175 PolarHBondContact O-N 2.85Å; S171-S175 VanDerWaalsContact O-N 3.11Å
172	Y	98.7	Very high	97.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.7	-53.3	173.3	176	-90.2	0	0	0	111.4	F75 Y91 F94 Y135 G139 W144 A168 V169 D170 K174 S175 A176	F75-Y172 HydrophobicContact CD2-CD2 4.25Å; F75-Y172 AromaticContact CD2-CE2 3.94Å; F75-Y172 HydrophobicContact CD2-CE2 3.94Å; F75-Y172 HydrophobicContact CE2-CD2 4.03Å; F75-Y172 AromaticContact CE2-CE2 3.86Å; F75-Y172 HydrophobicContact CE2-CE2 3.86Å; Y91-Y172 AromaticContact CD1-CD2 3.81Å; Y91-Y172 HydrophobicContact CD1-CD2 3.81Å; Y91-Y172 AromaticContact CE1-CD2 3.6Å; Y91-Y172 HydrophobicContact CE1-CD2 3.6Å; Y91-Y172 HydrophobicContact CE1-CE2 4.5Å; Y91-Y172 HydrophobicContact CE1-CG 4.43Å; Y91-Y172 HydrophobicContact CE2-CD2 4.39Å; Y91-Y172 VanDerWaalsContact CE2-N 3.29Å; Y91-Y172 HydrophobicContact CG-CD2 4.29Å; Y91-Y172 AromaticContact CZ-CD2 3.88Å; F94-Y172 HydrophobicContact CD1-CE2 4.12Å; F94-Y172 HydrophobicContact CE1-CD2 4.09Å; F94-Y172 AromaticContact CE1-CE2 3.33Å; F94-Y172 HydrophobicContact CE1-CE2 3.33Å; F94-Y172 AromaticContact CE1-CZ 3.91Å; F94-Y172 AromaticContact CZ-CE2 3.6Å; F94-Y172 HydrophobicContact CZ-CE2 3.6Å; F94-Y172 AromaticContact CZ-CZ 3.96Å; Y135-Y172 VanDerWaalsContact O-CZ 3.29Å; Y135-Y172 PolarHBondContact O-OH 3.37Å; G139-Y172 WeakPolarHBondContact CA-OH 3.23Å; G139-Y172 PolarHBondContact N-OH 3.4Å; W144-Y172 AromaticContact CH2-CD1 3.79Å; W144-Y172 HydrophobicContact CH2-CD1 3.79Å; W144-Y172 HydrophobicContact CH2-CD2 4.13Å; W144-Y172 HydrophobicContact CH2-CE1 4.05Å; W144-Y172 HydrophobicContact CH2-CE2 4.3Å; W144-Y172 AromaticContact CH2-CG 3.84Å; W144-Y172 HydrophobicContact CH2-CG 3.84Å; W144-Y172 AromaticContact CZ2-CD1 3.95Å; W144-Y172 HydrophobicContact CZ2-CD1 3.95Å; W144-Y172 AromaticContact CZ2-CD2 3.65Å; W144-Y172 HydrophobicContact CZ2-CD2 3.65Å; W144-Y172 HydrophobicContact CZ2-CE1 4.5Å; W144-Y172 HydrophobicContact CZ2-CE2 4.17Å; W144-Y172 AromaticContact CZ2-CG 3.49Å; W144-Y172 HydrophobicContact CZ2-CG 3.49Å; W144-Y172 VanDerWaalsContact CZ2-CG 3.49Å; A168-Y172 WeakPolarHBondContact O-CB 3.27Å; A168-Y172 PolarHBondContact O-N 2.76Å; A168-Y172 VanDerWaalsContact O-N 3.15Å; V169-Y172 VanDerWaalsContact O-CB 3.32Å; V169-Y172 WeakPolarHBondContact O-CB 3.44Å; V169-Y172 PolarHBondContact O-N 2.92Å; D170-Y172 VanDerWaalsContact C-N 3.27Å; D170-Y172 PolarHBondContact O-N 3.43Å; Y172-K174 VanDerWaalsContact C-N 3.33Å; Y172-K174 PolarHBondContact O-N 2.73Å; Y172-S175 WeakPolarHBondContact O-CB 3.43Å; Y172-S175 PolarHBondContact O-N 3.47Å; Y172-S175 VanDerWaalsContact O-N 3.12Å; Y172-A176 WeakPolarHBondContact O-CB 3.2Å; Y172-A176 PolarHBondContact O-N 3.35Å
173	W	98.7	Very high	98.1	Very high	47 Å²	47	26.8 Å²	26.8	18%	0.178	13%	0.13	C	C	.	.	H	α-helix	trans	-67	-35.4	-178	-70	118.1	0	0	0	111.9	L130 V169 D170 S175 A176 S177 F206	L130-W173 HydrophobicContact CD2-CE3 3.8Å; L130-W173 HydrophobicContact CD2-CZ3 3.82Å; L130-W173 HydrophobicContact CG-CZ3 4.04Å; V169-W173 PolarHBondContact O-N 2.04Å; D170-W173 PolarHBondContact O-N 2.85Å; W173-S175 VanDerWaalsContact C-N 3.33Å; W173-S175 PolarHBondContact O-N 3.08Å; W173-A176 HydrophobicContact CE3-CB 4.29Å; W173-A176 PolarHBondContact O-N 2.78Å; W173-S177 WeakPolarHBondContact O-CB 3.32Å; W173-S177 PolarHBondContact O-N 3.07Å; W173-S177 PolarHBondContact O-OG 2.92Å; W173-F206 HydrophobicContact CB-CD1 4.15Å; W173-F206 HydrophobicContact CB-CE1 3.46Å; W173-F206 VanDerWaalsContact CB-CE1 3.46Å; W173-F206 HydrophobicContact CB-CZ 3.69Å
174	K	98.7	Very high	98.2	Very high	19 Å²	19	23.9 Å²	23.9	8%	0.083	12%	0.115	C	C	.	.	H	α-helix	trans	-54.8	-50.4	169.6	-73.1	171.9	-175	173.6	0	110.5	P88 E165 D170 Y172 M178 F206 F210	P88-K174 HydrophobicContact CB-CB 4.24Å; P88-K174 HydrophobicContact CG-CB 3.83Å; P88-K174 HydrophobicContact CG-CD 4Å; E165-K174 PolarHBondContact O-NZ 3.47Å; E165-K174 IonicContact OE1-NZ 3.1Å; D170-K174 WeakPolarHBondContact O-CB 3.46Å; D170-K174 WeakPolarHBondContact O-CG 3.49Å; D170-K174 PolarHBondContact O-N 3.3Å; Y172-K174 VanDerWaalsContact C-N 3.33Å; Y172-K174 PolarHBondContact O-N 2.73Å; K174-M178 WeakPolarHBondContact O-CB 3.29Å; K174-M178 VanDerWaalsContact O-CE 3.26Å; K174-M178 WeakPolarHBondContact O-CE 3.44Å; K174-M178 WeakPolarHBondContact O-CG 3.28Å; K174-M178 PolarHBondContact O-N 3.09Å; K174-M178 VanDerWaalsContact O-N 3.12Å; K174-F206 HydrophobicContact CG-CE1 4.01Å; K174-F210 HydrophobicContact CB-CD1 4.04Å; K174-F210 HydrophobicContact CB-CE1 4.15Å; K174-F210 HydrophobicContact CB-CG 4.41Å; K174-F210 HydrophobicContact CD-CE1 3.85Å; K174-F210 HydrophobicContact CD-CE2 4.25Å; K174-F210 HydrophobicContact CD-CZ 3.69Å; K174-F210 HydrophobicContact CG-CD1 3.87Å; K174-F210 HydrophobicContact CG-CD2 4.05Å; K174-F210 HydrophobicContact CG-CE1 3.67Å; K174-F210 HydrophobicContact CG-CE2 3.86Å; K174-F210 HydrophobicContact CG-CG 4.07Å; K174-F210 HydrophobicContact CG-CZ 3.67Å
175	S	98.6	Very high	98.4	Very high	7 Å²	7	24.1 Å²	24.1	5%	0.049	12%	0.117	C	C	.	.	H	α-helix	trans	-62.9	-47.9	179.9	-162.2	0	0	0	0	112.4	P88 S171 Y172 W173 M178 Q179	P88-S175 WeakPolarHBondContact O-CB 3.46Å; P88-S175 PolarHBondContact O-OG 3.46Å; S171-S175 PolarHBondContact O-N 2.85Å; S171-S175 VanDerWaalsContact O-N 3.11Å; Y172-S175 WeakPolarHBondContact O-CB 3.43Å; Y172-S175 PolarHBondContact O-N 3.47Å; Y172-S175 VanDerWaalsContact O-N 3.12Å; W173-S175 VanDerWaalsContact C-N 3.33Å; W173-S175 PolarHBondContact O-N 3.08Å; S175-M178 PolarHBondContact O-N 3.39Å; S175-Q179 PolarHBondContact O-N 3.11Å
176	A	98.8	Very high	98.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.6	-45	-179.4	0	0	0	0	0	112.9	I95 L130 Y135 Y172 W173 Q179 Y180	I95-A176 HydrophobicContact CD1-CB 4.48Å; L130-A176 HydrophobicContact CD1-CB 4.16Å; L130-A176 HydrophobicContact CD2-CB 4.18Å; Y135-A176 HydrophobicContact CD2-CB 4.02Å; Y135-A176 HydrophobicContact CE2-CB 4.33Å; Y172-A176 WeakPolarHBondContact O-CB 3.2Å; Y172-A176 PolarHBondContact O-N 3.35Å; W173-A176 HydrophobicContact CE3-CB 4.29Å; W173-A176 PolarHBondContact O-N 2.78Å; A176-Q179 PolarHBondContact O-N 3.17Å; A176-Y180 VanDerWaalsContact O-CB 3.28Å; A176-Y180 WeakPolarHBondContact O-CB 3.03Å; A176-Y180 PolarHBondContact O-N 2.67Å
177	S	98.9	Very high	98.6	Very high	4 Å²	4	16.5 Å²	16.5	3%	0.028	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-44.7	176.9	-80.4	0	0	0	0	112.4	W173 Q179 Y180 S181 E211	W173-S177 WeakPolarHBondContact O-CB 3.32Å; W173-S177 PolarHBondContact O-N 3.07Å; W173-S177 PolarHBondContact O-OG 2.92Å; S177-Q179 VanDerWaalsContact C-N 3.33Å; S177-Q179 PolarHBondContact O-N 3.37Å; S177-Y180 PolarHBondContact O-N 3.43Å; S177-S181 WeakPolarHBondContact O-CB 3.19Å; S177-S181 PolarHBondContact O-N 3.17Å; S177-S181 PolarHBondContact O-OG 3.32Å; S177-E211 WeakPolarHBondContact CB-OE1 3.37Å; S177-E211 PolarHBondContact OG-OE1 3.43Å
178	M	98.9	Very high	98.7	Very high	23 Å²	23	16.4 Å²	16.4	11%	0.113	8%	0.081	C	C	.	.	H	α-helix	trans	-60.3	-44.2	174.9	-72.8	-173	-73.3	0	0	111.3	P88 K174 S175 R182 F210 Y214	P88-M178 HydrophobicContact CB-CE 3.96Å; K174-M178 WeakPolarHBondContact O-CB 3.29Å; K174-M178 VanDerWaalsContact O-CE 3.26Å; K174-M178 WeakPolarHBondContact O-CE 3.44Å; K174-M178 WeakPolarHBondContact O-CG 3.28Å; K174-M178 PolarHBondContact O-N 3.09Å; K174-M178 VanDerWaalsContact O-N 3.12Å; S175-M178 PolarHBondContact O-N 3.39Å; M178-R182 VanDerWaalsContact O-CG 3.31Å; M178-R182 WeakPolarHBondContact O-CG 3.3Å; M178-R182 PolarHBondContact O-N 3.06Å; M178-R182 VanDerWaalsContact O-N 3.17Å; M178-F210 WeakPolarHBondContact CA-O 3.38Å; M178-F210 HydrophobicContact CG-CB 4.3Å; M178-F210 HydrophobicContact CG-CD1 4.35Å; M178-F210 WeakPolarHBondContact CG-O 3.38Å; M178-F210 PolarHBondContact N-O 3.07Å; M178-F210 HydrophobicContact SD-CD1 4.43Å; M178-Y214 HydrophobicContact CB-CD1 4.38Å; M178-Y214 HydrophobicContact CB-CD2 4.32Å; M178-Y214 HydrophobicContact CB-CE2 4.49Å; M178-Y214 HydrophobicContact CB-CG 4.22Å; M178-Y214 HydrophobicContact CG-CD1 4.31Å; M178-Y214 HydrophobicContact CG-CD2 3.65Å; M178-Y214 HydrophobicContact CG-CE1 4.19Å; M178-Y214 HydrophobicContact CG-CE2 3.49Å; M178-Y214 VanDerWaalsContact CG-CE2 3.49Å; M178-Y214 HydrophobicContact CG-CG 4.04Å; M178-Y214 HydrophobicContact SD-CD2 4.37Å; M178-Y214 HydrophobicContact SD-CE1 3.9Å; M178-Y214 HydrophobicContact SD-CE2 3.64Å; M178-Y214 PolarHBondContact SD-OH 3.19Å
179	Q	98.9	Very high	98.7	Very high	20 Å²	20	16.8 Å²	16.8	9%	0.093	8%	0.082	C	C	.	.	H	α-helix	trans	-67.2	-45.1	179.7	-172.3	58.4	50.7	0	0	112.3	I95 Y135 S175 A176 S177 S181 R182 D183	I95-Q179 HydrophobicContact CG2-CB 4.01Å; I95-Q179 HydrophobicContact CG2-CG 3.58Å; Y135-Q179 HydrophobicContact CE1-CG 4.43Å; Y135-Q179 HydrophobicContact CE2-CB 4.49Å; S175-Q179 PolarHBondContact O-N 3.11Å; A176-Q179 PolarHBondContact O-N 3.17Å; S177-Q179 VanDerWaalsContact C-N 3.33Å; S177-Q179 PolarHBondContact O-N 3.37Å; Q179-S181 VanDerWaalsContact C-N 3.27Å; Q179-S181 PolarHBondContact O-N 2.82Å; Q179-R182 PolarHBondContact O-N 3.01Å; Q179-D183 PolarHBondContact NE2-OD1 2.83Å; Q179-D183 PolarHBondContact NE2-OD2 2.88Å; Q179-D183 PolarHBondContact O-N 3.4Å; Q179-D183 VanDerWaalsContact O-N 3.08Å
180	Y	98.9	Very high	98.7	Very high	1 Å²	1	15.6 Å²	15.6	0%	0.004	8%	0.075	C	C	.	.	H	α-helix	trans	-57.6	-40.5	177.4	-178.9	-106.4	0	0	0	112.4	I102 S107 L108 F109 M128 P129 L130 V133 Y135 A176 S177 D183 S184	I102-Y180 HydrophobicContact CD1-CD2 3.34Å; I102-Y180 HydrophobicContact CD1-CE2 3.57Å; I102-Y180 HydrophobicContact CD1-CG 4.23Å; I102-Y180 HydrophobicContact CG1-CD2 4.48Å; I102-Y180 HydrophobicContact CG1-CE2 4.46Å; S107-Y180 VanDerWaalsContact CA-OH 3.25Å; S107-Y180 WeakPolarHBondContact CA-OH 3.03Å; S107-Y180 WeakPolarHBondContact CB-OH 3.37Å; L108-Y180 PolarHBondContact N-OH 3.44Å; F109-Y180 HydrophobicContact CD1-CD1 4.12Å; F109-Y180 AromaticContact CD1-CE1 3.92Å; F109-Y180 HydrophobicContact CD1-CE1 3.92Å; F109-Y180 HydrophobicContact CD2-CE1 4.09Å; F109-Y180 AromaticContact CE1-CD1 3.4Å; F109-Y180 HydrophobicContact CE1-CD1 3.4Å; F109-Y180 VanDerWaalsContact CE1-CD1 3.4Å; F109-Y180 AromaticContact CE1-CE1 3.52Å; F109-Y180 HydrophobicContact CE1-CE1 3.52Å; F109-Y180 HydrophobicContact CE2-CD1 4.25Å; F109-Y180 AromaticContact CE2-CE1 3.68Å; F109-Y180 HydrophobicContact CE2-CE1 3.68Å; F109-Y180 HydrophobicContact CG-CE1 4.21Å; F109-Y180 AromaticContact CZ-CD1 3.49Å; F109-Y180 HydrophobicContact CZ-CD1 3.49Å; F109-Y180 VanDerWaalsContact CZ-CD1 3.49Å; F109-Y180 AromaticContact CZ-CE1 3.39Å; F109-Y180 HydrophobicContact CZ-CE1 3.39Å; M128-Y180 WeakPolarHBondContact O-CE2 3.48Å; M128-Y180 PolarHBondContact O-OH 2.8Å; P129-Y180 WeakPolarHBondContact CA-OH 3.48Å; L130-Y180 HydrophobicContact CB-CD1 4.26Å; L130-Y180 HydrophobicContact CB-CD2 4.26Å; L130-Y180 HydrophobicContact CB-CE1 4.47Å; L130-Y180 HydrophobicContact CB-CE2 4.46Å; L130-Y180 HydrophobicContact CB-CG 4.18Å; L130-Y180 HydrophobicContact CD1-CD2 4.13Å; L130-Y180 HydrophobicContact CD1-CG 4.08Å; V133-Y180 HydrophobicContact CG2-CD2 3.81Å; V133-Y180 HydrophobicContact CG2-CE2 3.68Å; Y135-Y180 VanDerWaalsContact OH-CA 3.28Å; Y135-Y180 WeakPolarHBondContact OH-CA 3.42Å; Y135-Y180 PolarHBondContact OH-N 3.45Å; A176-Y180 VanDerWaalsContact O-CB 3.28Å; A176-Y180 WeakPolarHBondContact O-CB 3.03Å; A176-Y180 PolarHBondContact O-N 2.67Å; S177-Y180 PolarHBondContact O-N 3.43Å; Y180-D183 PolarHBondContact O-N 2.82Å; Y180-S184 WeakPolarHBondContact O-CB 3.18Å; Y180-S184 PolarHBondContact O-N 3Å; Y180-S184 PolarHBondContact O-OG 2.93Å
181	S	98.8	Very high	98.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-68.2	-39	177.7	-56.4	0	0	0	0	113	F109 S177 Q179 D183 E211 Y214	F109-S181 WeakPolarHBondContact CE1-OG 3.23Å; S177-S181 WeakPolarHBondContact O-CB 3.19Å; S177-S181 PolarHBondContact O-N 3.17Å; S177-S181 PolarHBondContact O-OG 3.32Å; Q179-S181 VanDerWaalsContact C-N 3.27Å; Q179-S181 PolarHBondContact O-N 2.82Å; S181-D183 VanDerWaalsContact C-N 3.3Å; S181-D183 PolarHBondContact O-N 2.81Å; S181-E211 WeakPolarHBondContact CB-O 3.22Å; S181-E211 WeakPolarHBondContact OG-CA 3.44Å; S181-E211 VanDerWaalsContact OG-CB 3.27Å; S181-E211 WeakPolarHBondContact OG-CB 3.18Å; S181-E211 PolarHBondContact OG-O 3.34Å; S181-Y214 CarbonylContact C-O 3.55Å
182	R	98.8	Very high	98.8	Very high	87 Å²	87	14.2 Å²	14.2	33%	0.328	7%	0.068	S	C	.	.	H	α-helix	trans	-65.7	-32.8	175.6	-71.3	174.6	-170.1	128.3	3.1	113	M178 Q179 Y214 Q216	M178-R182 VanDerWaalsContact O-CG 3.31Å; M178-R182 WeakPolarHBondContact O-CG 3.3Å; M178-R182 PolarHBondContact O-N 3.06Å; M178-R182 VanDerWaalsContact O-N 3.17Å; Q179-R182 PolarHBondContact O-N 3.01Å; R182-Y214 VanDerWaalsContact NH2-CD1 3.28Å; R182-Q216 VanDerWaalsContact O-CG 3.28Å; R182-Q216 WeakPolarHBondContact O-CG 3.3Å
183	D	98.5	Very high	98.8	Very high	28 Å²	28	15 Å²	15	15%	0.15	7%	0.072	C	C	.	.	H	α-helix	trans	-91.9	-12.5	-175.9	-71	-17.1	0	0	0	113.6	R99 I102 Q179 Y180 S181	R99-D183 IonicContact CZ-OD1 3.61Å; R99-D183 IonicContact CZ-OD2 2.77Å; R99-D183 IonicContact NE-OD1 2.82Å; R99-D183 PolarHBondContact NE-OD1 3.35Å; R99-D183 IonicContact NE-OD2 2.65Å; R99-D183 PolarHBondContact NE-OD2 3.1Å; R99-D183 IonicContact NH2-OD1 3.63Å; R99-D183 PolarHBondContact NH2-OD1 3.14Å; R99-D183 IonicContact NH2-OD2 3.41Å; I102-D183 HydrophobicContact CD1-CB 3.84Å; I102-D183 HydrophobicContact CG1-CB 4.41Å; Q179-D183 PolarHBondContact NE2-OD1 2.83Å; Q179-D183 PolarHBondContact NE2-OD2 2.88Å; Q179-D183 PolarHBondContact O-N 3.4Å; Q179-D183 VanDerWaalsContact O-N 3.08Å; Y180-D183 PolarHBondContact O-N 2.82Å; S181-D183 VanDerWaalsContact C-N 3.3Å; S181-D183 PolarHBondContact O-N 2.81Å
184	S	98.8	Very high	98.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.064	C	C	.	.			trans	-72.2	145.2	177	-69.4	0	0	0	0	112.5	S107 Y180	S107-S184 WeakPolarHBondContact CB-OG 3.38Å; S107-S184 WeakPolarHBondContact OG-CB 3.18Å; S107-S184 PolarHBondContact OG-OG 2.7Å; Y180-S184 WeakPolarHBondContact O-CB 3.18Å; Y180-S184 PolarHBondContact O-N 3Å; Y180-S184 PolarHBondContact O-OG 2.93Å
185	S	98.8	Very high	98.8	Very high	27 Å²	27	12.4 Å²	12.4	19%	0.189	6%	0.064	C	C	.	.			trans	-157.3	161.6	-179.2	63.5	0	0	0	0	112.9	D105	D105-S185 PolarHBondContact N-O 2.94Å
186	G	98.8	Very high	98.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.3	-136.4	-177.9	0	0	0	0	0	112.5	D105 K219 I220 T221	D105-G186 WeakPolarHBondContact OD1-CA 3.3Å; G186-K219 PolarHBondContact N-O 2.9Å; G186-I220 WeakPolarHBondContact O-CA 3.36Å; G186-T221 PolarHBondContact O-N 3.14Å
187	V	98.8	Very high	98.7	Very high	24 Å²	24	19.2 Å²	19.2	15%	0.145	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	122.6	171.1	-177.9	0	0	0	0	109	D105 R222 E224	D105-V187 HydrophobicContact CB-CB 4.43Å; D105-V187 PolarHBondContact OD1-N 3.29Å; V187-R222 WeakPolarHBondContact CA-O 3.43Å; V187-R222 HydrophobicContact CG1-CG 4.26Å; V187-R222 HydrophobicContact CG2-CG 4.17Å; V187-E224 HydrophobicContact CG1-CB 4.36Å
188	I	98.8	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123	173.7	-56.4	-55.5	0	0	0	108.2	F109 V190 I220 R222 I223 E224	F109-I188 HydrophobicContact CD2-CG2 3.4Å; F109-I188 HydrophobicContact CE2-CD1 4.46Å; F109-I188 HydrophobicContact CE2-CG2 3.5Å; F109-I188 VanDerWaalsContact CE2-CG2 3.5Å; I188-V190 HydrophobicContact CG2-CG2 4.41Å; I188-I220 HydrophobicContact CD1-CD1 4.4Å; I188-I220 HydrophobicContact CD1-CG1 4.15Å; I188-I220 HydrophobicContact CG1-CD1 3.98Å; I188-I220 HydrophobicContact CG1-CG1 3.87Å; I188-I220 HydrophobicContact CG1-CG2 3.95Å; I188-R222 PolarHBondContact N-O 3.41Å; I188-I223 HydrophobicContact CB-CG1 4.12Å; I188-I223 HydrophobicContact CB-CG2 4.5Å; I188-I223 CarbonylContact O-C 3.59Å; I188-I223 WeakPolarHBondContact O-CA 3.4Å; I188-E224 PolarHBondContact O-N 2.94Å
189	N	98.8	Very high	98.6	Very high	12 Å²	12	27.4 Å²	27.4	6%	0.064	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	142.5	175.6	-50.3	-82.1	0	0	0	109.5	S107 L108 F109 E224 W226	S107-N189 PolarHBondContact O-N 2.77Å; S107-N189 VanDerWaalsContact O-N 3.15Å; S107-N189 PolarHBondContact O-ND2 3.3Å; L108-N189 CarbonylContact C-O 3.55Å; L108-N189 WeakPolarHBondContact CA-O 3.37Å; L108-N189 HydrophobicContact CD1-CB 3.81Å; F109-N189 PolarHBondContact N-O 2.87Å; N189-E224 CarbonylContact C-O 3.57Å; N189-E224 WeakPolarHBondContact CA-O 3.3Å; N189-W226 HydrophobicContact CB-CH2 3.82Å; N189-W226 HydrophobicContact CB-CZ2 3.83Å; N189-W226 HydrophobicContact CB-CZ3 4.36Å; N189-W226 VanDerWaalsContact OD1-CZ2 3.32Å; N189-W226 WeakPolarHBondContact OD1-CZ2 3.41Å
190	V	98.9	Very high	98.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	121.2	179.3	-171.6	0	0	0	0	108.9	F109 I188 L192 F207 I223 E224 I225 W226	F109-V190 HydrophobicContact CB-CG1 4.35Å; F109-V190 HydrophobicContact CB-CG2 4.27Å; F109-V190 CarbonylContact O-C 3.54Å; F109-V190 VanDerWaalsContact O-CA 3.3Å; F109-V190 WeakPolarHBondContact O-CA 3.23Å; I188-V190 HydrophobicContact CG2-CG2 4.41Å; V190-L192 HydrophobicContact CG1-CD2 3.77Å; V190-L192 HydrophobicContact CG1-CG 4.11Å; V190-F207 HydrophobicContact CB-CZ 4.33Å; V190-F207 HydrophobicContact CG1-CD1 4.32Å; V190-F207 HydrophobicContact CG1-CE1 3.7Å; V190-F207 HydrophobicContact CG1-CE2 4.29Å; V190-F207 HydrophobicContact CG1-CZ 3.7Å; V190-F207 HydrophobicContact CG2-CE1 4.39Å; V190-F207 HydrophobicContact CG2-CE2 4.13Å; V190-F207 HydrophobicContact CG2-CZ 3.62Å; V190-I223 HydrophobicContact CG2-CG2 3.73Å; V190-E224 PolarHBondContact N-O 2.81Å; V190-I225 HydrophobicContact CB-CG1 4.47Å; V190-I225 CarbonylContact O-C 3.6Å; V190-W226 PolarHBondContact O-N 3.42Å
191	M	98.9	Very high	98.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	110.1	177.3	-170.7	-176.1	-62.6	0	0	111.1	L108 F109 W110 E111 N113 L116 V117 F120 W226 M228 V267	L108-M191 HydrophobicContact CD1-CB 4.16Å; L108-M191 HydrophobicContact CD2-CE 4.39Å; F109-M191 PolarHBondContact O-N 2.98Å; W110-M191 WeakPolarHBondContact CA-O 3.3Å; W110-M191 HydrophobicContact CB-CB 4.24Å; W110-M191 WeakPolarHBondContact CB-O 3.15Å; E111-M191 PolarHBondContact N-O 2.78Å; E111-M191 VanDerWaalsContact N-O 3.09Å; N113-M191 HydrophobicContact CB-CG 4.23Å; N113-M191 HydrophobicContact CB-SD 4.08Å; N113-M191 PolarHBondContact ND2-O 2.84Å; L116-M191 HydrophobicContact CB-SD 4.36Å; L116-M191 HydrophobicContact CD2-SD 3.84Å; L116-M191 HydrophobicContact CG-SD 3.84Å; V117-M191 HydrophobicContact CG2-CB 4.16Å; V117-M191 HydrophobicContact CG2-CE 4.2Å; V117-M191 HydrophobicContact CG2-CG 4.39Å; V117-M191 HydrophobicContact CG2-SD 3.6Å; V117-M191 VanDerWaalsContact CG2-SD 3.6Å; F120-M191 HydrophobicContact CB-CE 4.37Å; F120-M191 HydrophobicContact CD1-CE 4.12Å; F120-M191 HydrophobicContact CG-CE 4.41Å; M191-W226 HydrophobicContact CB-CE3 4.37Å; M191-W226 HydrophobicContact CE-CE3 3.93Å; M191-W226 HydrophobicContact CE-CZ3 4.07Å; M191-M228 HydrophobicContact CG-CG 3.77Å; M191-M228 HydrophobicContact SD-CG 4.33Å; M191-V267 HydrophobicContact CE-CG1 3.92Å; M191-V267 HydrophobicContact CE-CG2 3.71Å; M191-V267 HydrophobicContact SD-CG1 4.25Å
192	L	98.8	Very high	98.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	152.4	179.3	-55.7	-178.3	0	0	0	111.1	E111 N113 V190 A200 I225 W226 M228 L247	E111-L192 HydrophobicContact CB-CD2 3.97Å; E111-L192 HydrophobicContact CG-CD2 4.34Å; N113-L192 PolarHBondContact ND2-O 2.75Å; V190-L192 HydrophobicContact CG1-CD2 3.77Å; V190-L192 HydrophobicContact CG1-CG 4.11Å; L192-A200 HydrophobicContact CB-CB 4.07Å; L192-A200 HydrophobicContact CD1-CB 4.5Å; L192-I225 HydrophobicContact CD1-CG2 3.68Å; L192-I225 HydrophobicContact CG-CG2 4.1Å; L192-W226 PolarHBondContact N-O 3.17Å; L192-M228 PolarHBondContact O-N 3.1Å; L192-L247 HydrophobicContact CD1-CD2 3.76Å
193	N	98.8	Very high	98.4	Very high	17 Å²	17	28.2 Å²	28.2	9%	0.091	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	102.2	179.6	-168.9	-22.5	0	0	0	109.9	N112 N113 S195 E196 A200	N112-N193 HydrophobicContact CB-CB 3.83Å; N112-N193 WeakPolarHBondContact O-CB 3.48Å; N112-N193 PolarHBondContact O-ND2 3.24Å; N113-N193 WeakPolarHBondContact ND2-CA 3.3Å; N113-N193 PolarHBondContact ND2-N 3.21Å; N193-S195 PolarHBondContact O-N 3.39Å; N193-S195 WeakPolarHBondContact OD1-CA 3.31Å; N193-S195 WeakPolarHBondContact OD1-CB 3.5Å; N193-S195 PolarHBondContact OD1-N 3.09Å; N193-E196 HydrophobicContact CB-CB 4.22Å; N193-E196 WeakPolarHBondContact O-CB 3.34Å; N193-E196 PolarHBondContact O-N 3.5Å; N193-E196 PolarHBondContact OD1-N 3.01Å; N193-A200 WeakPolarHBondContact O-CA 3.34Å; N193-A200 WeakPolarHBondContact O-CB 3.37Å
194	G	98.6	Very high	98.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.01	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-6.4	176.7	0	0	0	0	0	114.1	M228 V236 E237	G194-M228 PolarHBondContact N-O 2.97Å; G194-V236 WeakPolarHBondContact O-CA 3.33Å; G194-V236 WeakPolarHBondContact O-CB 3.36Å; G194-V236 PolarHBondContact O-N 3.26Å; G194-E237 WeakPolarHBondContact CA-O 3.47Å; G194-E237 PolarHBondContact O-N 3.16Å; G194-E237 VanDerWaalsContact O-N 3.1Å
195	S	98.5	Very high	98.1	Very high	10 Å²	10	36.2 Å²	36.2	7%	0.07	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-0.2	173.8	-61.4	0	0	0	0	113.3	N193 P197 E230 P234	N193-S195 PolarHBondContact O-N 3.39Å; N193-S195 WeakPolarHBondContact OD1-CA 3.31Å; N193-S195 WeakPolarHBondContact OD1-CB 3.5Å; N193-S195 PolarHBondContact OD1-N 3.09Å; S195-P197 WeakPolarHBondContact O-CD 3.17Å; S195-E230 PolarHBondContact OG-N 2.03Å; S195-P234 WeakPolarHBondContact CA-O 3.37Å; S195-P234 VanDerWaalsContact CB-O 3.27Å; S195-P234 WeakPolarHBondContact CB-O 3.41Å; S195-P234 PolarHBondContact OG-O 2.84Å
196	E	98.2	Very high	98.1	Very high	42 Å²	42	38.2 Å²	38.2	20%	0.196	20%	0.201	C	C	.	.			trans	-66.9	121.8	176.9	170.9	50.6	-132.1	0	0	110.9	N193 K198 G199 V236	N193-E196 HydrophobicContact CB-CB 4.22Å; N193-E196 WeakPolarHBondContact O-CB 3.34Å; N193-E196 PolarHBondContact O-N 3.5Å; N193-E196 PolarHBondContact OD1-N 3.01Å; E196-K198 HydrophobicContact CG-CB 4.39Å; E196-K198 PolarHBondContact O-N 2.62Å; E196-K198 VanDerWaalsContact O-N 3.09Å; E196-K198 PolarHBondContact OE1-N 2.97Å; E196-K198 VanDerWaalsContact OE1-N 3.12Å; E196-G199 VanDerWaalsContact CG-O 3.28Å; E196-G199 WeakPolarHBondContact CG-O 3.3Å; E196-G199 PolarHBondContact O-N 3Å; E196-V236 WeakPolarHBondContact O-CG1 3.43Å
197	P	97.8	Very high	98.1	Very high	108 Å²	108	38.2 Å²	38.2	70%	0.701	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.1	-177.7	-29.9	36.2	0	0	0	115.5	S195 G199	S195-P197 WeakPolarHBondContact O-CD 3.17Å; P197-G199 VanDerWaalsContact C-N 3.33Å
198	K	97.1	Very high	98.1	Very high	195 Å²	195	37.1 Å²	37.1	85%	0.848	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	3.5	178.9	-63.7	179.4	-176.9	173.2	0	114.1	E196	E196-K198 HydrophobicContact CG-CB 4.39Å; E196-K198 PolarHBondContact O-N 2.62Å; E196-K198 VanDerWaalsContact O-N 3.09Å; E196-K198 PolarHBondContact OE1-N 2.97Å; E196-K198 VanDerWaalsContact OE1-N 3.12Å
199	G	97.9	Very high	98	Very high	4 Å²	4	40.5 Å²	40.5	4%	0.041	21%	0.212	C	C	.	.			trans	97.5	157.7	-174	0	0	0	0	0	112.6	E196 P197 E237	E196-G199 VanDerWaalsContact CG-O 3.28Å; E196-G199 WeakPolarHBondContact CG-O 3.3Å; E196-G199 PolarHBondContact O-N 3Å; P197-G199 VanDerWaalsContact C-N 3.33Å; G199-E237 VanDerWaalsContact CA-OE2 3.31Å; G199-E237 WeakPolarHBondContact CA-OE2 3.34Å
200	A	98.4	Very high	98	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	22%	0.219	C	C	.	.	S	Bend	trans	-74.4	-28.6	-170.2	0	0	0	0	0	113.8	L192 N193 V227 E237 S243 V244	L192-A200 HydrophobicContact CB-CB 4.07Å; L192-A200 HydrophobicContact CD1-CB 4.5Å; N193-A200 WeakPolarHBondContact O-CA 3.34Å; N193-A200 WeakPolarHBondContact O-CB 3.37Å; A200-V227 HydrophobicContact CB-CG1 4.49Å; A200-E237 HydrophobicContact CB-CB 4.47Å; A200-E237 PolarHBondContact N-OE2 2.89Å; A200-S243 PolarHBondContact N-OG 2.94Å; A200-V244 HydrophobicContact CB-CG2 3.7Å
201	Y	98.6	Very high	98	Very high	6 Å²	6	42.9 Å²	42.9	2%	0.024	22%	0.222	C	C	.	.	S	Bend	trans	-117.7	104.3	179.5	169.9	-112.7	0	0	0	111.3	V203 F207 A208 I212 S243 I246 L247 R250	Y201-V203 HydrophobicContact CD1-CG1 4.2Å; Y201-V203 HydrophobicContact CE1-CG1 3.97Å; Y201-V203 PolarHBondContact O-N 3.38Å; Y201-F207 HydrophobicContact CD2-CD1 4.11Å; Y201-F207 AromaticContact CE2-CD1 3.95Å; Y201-F207 HydrophobicContact CE2-CD1 3.95Å; Y201-F207 HydrophobicContact CE2-CE1 4.4Å; Y201-A208 HydrophobicContact CE2-CB 4.03Å; Y201-A208 WeakPolarHBondContact OH-CB 3.39Å; Y201-I212 HydrophobicContact CE2-CD1 4.28Å; Y201-S243 WeakPolarHBondContact CD1-O 3.18Å; Y201-S243 PolarHBondContact N-OG 2.77Å; Y201-S243 VanDerWaalsContact O-CB 3.29Å; Y201-S243 WeakPolarHBondContact O-CB 3.42Å; Y201-S243 PolarHBondContact O-OG 2.99Å; Y201-I246 HydrophobicContact CE1-CG2 4.22Å; Y201-L247 HydrophobicContact CD1-CB 3.72Å; Y201-L247 HydrophobicContact CD2-CB 4.14Å; Y201-L247 HydrophobicContact CD2-CD1 4.13Å; Y201-L247 HydrophobicContact CD2-CD2 4.1Å; Y201-L247 HydrophobicContact CD2-CG 4.35Å; Y201-L247 HydrophobicContact CE1-CB 4.04Å; Y201-L247 HydrophobicContact CE2-CB 4.44Å; Y201-L247 HydrophobicContact CE2-CD1 3.85Å; Y201-L247 HydrophobicContact CG-CB 3.76Å; Y201-L247 HydrophobicContact CG-CD2 4.31Å; Y201-L247 HydrophobicContact CG-CG 4.44Å; Y201-R250 PolarHBondContact OH-NH1 2.59Å
202	P	97.9	Very high	98	Very high	36 Å²	36	43 Å²	43	23%	0.234	22%	0.223	C	C	.	.			trans	-65.4	115.2	169.9	-19.4	32.8	0	0	0	110.6	E111 K204 A208	E111-P202 HydrophobicContact CB-CG 4.46Å; E111-P202 HydrophobicContact CG-CG 4.37Å; P202-K204 WeakPolarHBondContact CB-O 3.46Å; P202-K204 PolarHBondContact O-N 2.9Å; P202-K204 VanDerWaalsContact O-N 3.1Å; P202-A208 WeakPolarHBondContact O-CB 3.34Å
203	V	96.7	Very high	98	Very high	81 Å²	81	46.4 Å²	46.4	49%	0.491	25%	0.245	S	C	.	.	S	Bend	trans	-65.6	-12.3	176.9	-62	0	0	0	0	113.6	Y201 I246	Y201-V203 HydrophobicContact CD1-CG1 4.2Å; Y201-V203 HydrophobicContact CE1-CG1 3.97Å; Y201-V203 PolarHBondContact O-N 3.38Å; V203-I246 HydrophobicContact CG1-CD1 4.37Å; V203-I246 HydrophobicContact CG1-CG2 4.09Å
204	K	96	Very high	98	Very high	175 Å²	175	49.1 Å²	49.1	76%	0.761	25%	0.254	S	S	*	.	S	Bend	trans	-127.8	124.6	168.2	-64.8	-176.4	179.5	-175.4	0	107.3	P202 D209	P202-K204 WeakPolarHBondContact CB-O 3.46Å; P202-K204 PolarHBondContact O-N 2.9Å; P202-K204 VanDerWaalsContact O-N 3.1Å; K204-D209 WeakPolarHBondContact CA-OD2 3.47Å
205	G	95.6	Very high	98	Very high	22 Å²	22	49.7 Å²	49.7	23%	0.227	26%	0.257	C	S	.	.	S	Bend	trans	164.6	172.6	-171.4	0	0	0	0	0	111.8	F207 A208 D209	G205-F207 VanDerWaalsContact C-N 3.33Å; G205-F207 PolarHBondContact O-N 2.92Å; G205-A208 PolarHBondContact O-N 3.2Å; G205-D209 PolarHBondContact N-OD2 3.4Å; G205-D209 WeakPolarHBondContact O-CB 3.26Å; G205-D209 PolarHBondContact O-N 3.27Å
206	F	98	Very high	98	Very high	69 Å²	69	52.2 Å²	52.2	30%	0.303	27%	0.268	S	S	.	.	H	α-helix	trans	-60.2	-45.8	-178.9	-73.1	-81.1	0	0	0	111.3	W173 K174 A208 D209 F210 E211	W173-F206 HydrophobicContact CB-CD1 4.15Å; W173-F206 HydrophobicContact CB-CE1 3.46Å; W173-F206 VanDerWaalsContact CB-CE1 3.46Å; W173-F206 HydrophobicContact CB-CZ 3.69Å; K174-F206 HydrophobicContact CG-CE1 4.01Å; F206-A208 VanDerWaalsContact C-N 3.33Å; F206-A208 PolarHBondContact O-N 2.85Å; F206-D209 PolarHBondContact O-N 3.38Å; F206-F210 HydrophobicContact CD1-CD2 4.18Å; F206-F210 CarbonylContact O-C 3.51Å; F206-F210 WeakPolarHBondContact O-CA 3.42Å; F206-F210 PolarHBondContact O-N 3.35Å; F206-E211 WeakPolarHBondContact O-CG 3.32Å; F206-E211 PolarHBondContact O-N 3.01Å; F206-E211 VanDerWaalsContact O-N 3.09Å
207	F	98.6	Very high	98	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.283	C	S	.	.	I	π-helix	trans	-62.3	-43.1	179.9	-174.4	-124.9	0	0	0	112.1	F109 E111 V190 Y201 G205 E211 I212 L247	F109-F207 HydrophobicContact CB-CD2 3.88Å; F109-F207 HydrophobicContact CB-CE2 3.74Å; F109-F207 AromaticContact CD1-CD2 3.91Å; F109-F207 HydrophobicContact CD1-CD2 3.91Å; F109-F207 HydrophobicContact CD1-CE2 4.03Å; F109-F207 HydrophobicContact CG-CD2 4.14Å; F109-F207 AromaticContact CG-CE2 3.91Å; F109-F207 HydrophobicContact CG-CE2 3.91Å; E111-F207 HydrophobicContact CG-CB 3.94Å; E111-F207 WeakPolarHBondContact OE1-CB 3.47Å; E111-F207 PolarHBondContact OE1-N 3.08Å; V190-F207 HydrophobicContact CB-CZ 4.33Å; V190-F207 HydrophobicContact CG1-CD1 4.32Å; V190-F207 HydrophobicContact CG1-CE1 3.7Å; V190-F207 HydrophobicContact CG1-CE2 4.29Å; V190-F207 HydrophobicContact CG1-CZ 3.7Å; V190-F207 HydrophobicContact CG2-CE1 4.39Å; V190-F207 HydrophobicContact CG2-CE2 4.13Å; V190-F207 HydrophobicContact CG2-CZ 3.62Å; Y201-F207 HydrophobicContact CD2-CD1 4.11Å; Y201-F207 AromaticContact CE2-CD1 3.95Å; Y201-F207 HydrophobicContact CE2-CD1 3.95Å; Y201-F207 HydrophobicContact CE2-CE1 4.4Å; G205-F207 VanDerWaalsContact C-N 3.33Å; G205-F207 PolarHBondContact O-N 2.92Å; F207-E211 WeakPolarHBondContact CA-OE2 3.47Å; F207-E211 HydrophobicContact CD2-CB 3.99Å; F207-E211 WeakPolarHBondContact CD2-OE2 3.36Å; F207-I212 HydrophobicContact CD1-CD1 4.06Å; F207-I212 HydrophobicContact CD1-CG1 4.47Å; F207-I212 HydrophobicContact CD2-CG1 4.26Å; F207-I212 HydrophobicContact CE1-CD1 3.76Å; F207-I212 HydrophobicContact CE1-CG1 4.13Å; F207-I212 HydrophobicContact CE2-CD1 4.44Å; F207-I212 HydrophobicContact CE2-CG1 3.9Å; F207-I212 HydrophobicContact CZ-CD1 3.95Å; F207-I212 HydrophobicContact CZ-CG1 3.81Å; F207-I212 VanDerWaalsContact O-CG1 3.31Å; F207-I212 WeakPolarHBondContact O-CG1 3.49Å; F207-I212 PolarHBondContact O-N 2.95Å; F207-L247 HydrophobicContact CE1-CD1 3.82Å; F207-L247 HydrophobicContact CE1-CD2 3.98Å
208	A	98.6	Very high	98	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.284	C	S	.	.	I	π-helix	trans	-69.7	-43.3	-179.5	0	0	0	0	0	113.7	Y201 P202 G205 F206 R250	Y201-A208 HydrophobicContact CE2-CB 4.03Å; Y201-A208 WeakPolarHBondContact OH-CB 3.39Å; P202-A208 WeakPolarHBondContact O-CB 3.34Å; G205-A208 PolarHBondContact O-N 3.2Å; F206-A208 VanDerWaalsContact C-N 3.33Å; F206-A208 PolarHBondContact O-N 2.85Å; A208-R250 VanDerWaalsContact O-CZ 3.25Å; A208-R250 PolarHBondContact O-NH1 2.85Å; A208-R250 PolarHBondContact O-NH2 3.48Å
209	D	98.3	Very high	98	Very high	71 Å²	71	52.8 Å²	52.8	38%	0.38	27%	0.265	S	S	.	.	I	π-helix	trans	-104.8	-27.1	-164.7	-61.8	-43.7	0	0	0	113.3	K204 G205 F206	K204-D209 WeakPolarHBondContact CA-OD2 3.47Å; G205-D209 PolarHBondContact N-OD2 3.4Å; G205-D209 WeakPolarHBondContact O-CB 3.26Å; G205-D209 PolarHBondContact O-N 3.27Å; F206-D209 PolarHBondContact O-N 3.38Å
210	F	98.5	Very high	98.1	Very high	50 Å²	50	53.5 Å²	53.5	22%	0.219	27%	0.268	C	S	.	.	I	π-helix	trans	-123.1	-5.9	-172	-61	-78.2	0	0	0	114	K174 M178 F206 Y214	K174-F210 HydrophobicContact CB-CD1 4.04Å; K174-F210 HydrophobicContact CB-CE1 4.15Å; K174-F210 HydrophobicContact CB-CG 4.41Å; K174-F210 HydrophobicContact CD-CE1 3.85Å; K174-F210 HydrophobicContact CD-CE2 4.25Å; K174-F210 HydrophobicContact CD-CZ 3.69Å; K174-F210 HydrophobicContact CG-CD1 3.87Å; K174-F210 HydrophobicContact CG-CD2 4.05Å; K174-F210 HydrophobicContact CG-CE1 3.67Å; K174-F210 HydrophobicContact CG-CE2 3.86Å; K174-F210 HydrophobicContact CG-CG 4.07Å; K174-F210 HydrophobicContact CG-CZ 3.67Å; M178-F210 WeakPolarHBondContact CA-O 3.38Å; M178-F210 HydrophobicContact CG-CB 4.3Å; M178-F210 HydrophobicContact CG-CD1 4.35Å; M178-F210 WeakPolarHBondContact CG-O 3.38Å; M178-F210 PolarHBondContact N-O 3.07Å; M178-F210 HydrophobicContact SD-CD1 4.43Å; F206-F210 HydrophobicContact CD1-CD2 4.18Å; F206-F210 CarbonylContact O-C 3.51Å; F206-F210 WeakPolarHBondContact O-CA 3.42Å; F206-F210 PolarHBondContact O-N 3.35Å; F210-Y214 WeakPolarHBondContact O-CD2 3.5Å
211	E	98.9	Very high	98.1	Very high	13 Å²	13	56.6 Å²	56.6	6%	0.061	29%	0.286	C	S	.	.	I	π-helix	trans	-116.6	-62.2	-179.4	-59.6	179.1	147.4	0	0	112.9	F109 S177 S181 F206 F207 P213 Y214 L215	F109-E211 HydrophobicContact CD1-CB 4Å; F109-E211 HydrophobicContact CD1-CG 4.17Å; F109-E211 VanDerWaalsContact CD1-OE2 3.29Å; F109-E211 WeakPolarHBondContact CD1-OE2 3.3Å; F109-E211 HydrophobicContact CE1-CB 3.76Å; F109-E211 HydrophobicContact CE1-CG 3.99Å; S177-E211 WeakPolarHBondContact CB-OE1 3.37Å; S177-E211 PolarHBondContact OG-OE1 3.43Å; S181-E211 WeakPolarHBondContact CB-O 3.22Å; S181-E211 WeakPolarHBondContact OG-CA 3.44Å; S181-E211 VanDerWaalsContact OG-CB 3.27Å; S181-E211 WeakPolarHBondContact OG-CB 3.18Å; S181-E211 PolarHBondContact OG-O 3.34Å; F206-E211 WeakPolarHBondContact O-CG 3.32Å; F206-E211 PolarHBondContact O-N 3.01Å; F206-E211 VanDerWaalsContact O-N 3.09Å; F207-E211 WeakPolarHBondContact CA-OE2 3.47Å; F207-E211 HydrophobicContact CD2-CB 3.99Å; F207-E211 WeakPolarHBondContact CD2-OE2 3.36Å; E211-P213 VanDerWaalsContact C-CD 3.45Å; E211-P213 VanDerWaalsContact C-N 3.31Å; E211-Y214 PolarHBondContact O-N 3.33Å; E211-L215 PolarHBondContact O-N 3.13Å
212	I	98.8	Very high	98.1	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.015	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-48.8	-46.4	177.5	-71.1	169.8	0	0	0	112.3	Y201 F207 Y214 L215 L247 L251 L254	Y201-I212 HydrophobicContact CE2-CD1 4.28Å; F207-I212 HydrophobicContact CD1-CD1 4.06Å; F207-I212 HydrophobicContact CD1-CG1 4.47Å; F207-I212 HydrophobicContact CD2-CG1 4.26Å; F207-I212 HydrophobicContact CE1-CD1 3.76Å; F207-I212 HydrophobicContact CE1-CG1 4.13Å; F207-I212 HydrophobicContact CE2-CD1 4.44Å; F207-I212 HydrophobicContact CE2-CG1 3.9Å; F207-I212 HydrophobicContact CZ-CD1 3.95Å; F207-I212 HydrophobicContact CZ-CG1 3.81Å; F207-I212 VanDerWaalsContact O-CG1 3.31Å; F207-I212 WeakPolarHBondContact O-CG1 3.49Å; F207-I212 PolarHBondContact O-N 2.95Å; I212-Y214 PolarHBondContact O-N 3.26Å; I212-L215 PolarHBondContact O-N 2.98Å; I212-L247 HydrophobicContact CD1-CD1 3.6Å; I212-L251 HydrophobicContact CD1-CD2 4.33Å; I212-L251 HydrophobicContact CG1-CD2 4.42Å; I212-L251 HydrophobicContact CG2-CD2 4.42Å; I212-L254 HydrophobicContact CG2-CD1 3.52Å
213	P	98.7	Very high	98.1	Very high	71 Å²	71	58.5 Å²	58.5	46%	0.461	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-65.8	-17.8	-179.4	-23.3	36.6	0	0	0	114.7	E211	E211-P213 VanDerWaalsContact C-CD 3.45Å; E211-P213 VanDerWaalsContact C-N 3.31Å
214	Y	98.7	Very high	98.2	Very high	74 Å²	74	55.6 Å²	55.6	29%	0.29	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-106.2	-2.7	-174.4	-68.7	-82.6	0	0	0	113.6	M178 S181 R182 F210 E211 I212 Q216	M178-Y214 HydrophobicContact CB-CD1 4.38Å; M178-Y214 HydrophobicContact CB-CD2 4.32Å; M178-Y214 HydrophobicContact CB-CE2 4.49Å; M178-Y214 HydrophobicContact CB-CG 4.22Å; M178-Y214 HydrophobicContact CG-CD1 4.31Å; M178-Y214 HydrophobicContact CG-CD2 3.65Å; M178-Y214 HydrophobicContact CG-CE1 4.19Å; M178-Y214 HydrophobicContact CG-CE2 3.49Å; M178-Y214 VanDerWaalsContact CG-CE2 3.49Å; M178-Y214 HydrophobicContact CG-CG 4.04Å; M178-Y214 HydrophobicContact SD-CD2 4.37Å; M178-Y214 HydrophobicContact SD-CE1 3.9Å; M178-Y214 HydrophobicContact SD-CE2 3.64Å; M178-Y214 PolarHBondContact SD-OH 3.19Å; S181-Y214 CarbonylContact C-O 3.55Å; R182-Y214 VanDerWaalsContact NH2-CD1 3.28Å; F210-Y214 WeakPolarHBondContact O-CD2 3.5Å; E211-Y214 PolarHBondContact O-N 3.33Å; I212-Y214 PolarHBondContact O-N 3.26Å; Y214-Q216 PolarHBondContact O-N 2.84Å; Y214-Q216 PolarHBondContact O-NE2 3.49Å
215	L	98.8	Very high	98.4	Very high	13 Å²	13	47.2 Å²	47.2	7%	0.068	23%	0.234	C	C	.	.			trans	-59.9	128.9	171.6	-72.8	-179.5	0	0	0	111.5	F109 E211 I212 K217 I220 I223 F256	F109-L215 HydrophobicContact CE2-CD2 4.25Å; F109-L215 HydrophobicContact CZ-CD2 3.93Å; E211-L215 PolarHBondContact O-N 3.13Å; I212-L215 PolarHBondContact O-N 2.98Å; L215-K217 PolarHBondContact O-N 3.39Å; L215-I220 HydrophobicContact CB-CD1 3.53Å; L215-I220 HydrophobicContact CD1-CD1 4.24Å; L215-I220 HydrophobicContact CD2-CD1 3.81Å; L215-I220 HydrophobicContact CG-CD1 4.04Å; L215-I223 HydrophobicContact CD1-CD1 4.04Å; L215-F256 HydrophobicContact CB-CZ 3.84Å; L215-F256 HydrophobicContact CD1-CZ 4.34Å
216	Q	98.4	Very high	98.5	Very high	63 Å²	63	46.4 Å²	46.4	29%	0.294	22%	0.224	S	C	.	.			trans	-83.8	95.7	-179.6	-57.1	-59.1	-72.3	0	0	110.3	R182 Y214 D218 K219 I220	R182-Q216 VanDerWaalsContact O-CG 3.28Å; R182-Q216 WeakPolarHBondContact O-CG 3.3Å; Y214-Q216 PolarHBondContact O-N 2.84Å; Y214-Q216 PolarHBondContact O-NE2 3.49Å; Q216-D218 PolarHBondContact O-N 2.94Å; Q216-D218 VanDerWaalsContact O-N 3.15Å; Q216-K219 HydrophobicContact CB-CB 4.13Å; Q216-K219 HydrophobicContact CB-CD 3.96Å; Q216-K219 HydrophobicContact CB-CG 4.02Å; Q216-K219 HydrophobicContact CG-CD 4.38Å; Q216-K219 PolarHBondContact O-N 3.25Å; Q216-I220 WeakPolarHBondContact O-CG1 3.35Å; Q216-I220 PolarHBondContact O-N 3.41Å
217	K	97.3	Very high	98.6	Very high	117 Å²	117	43.1 Å²	43.1	51%	0.509	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-51.9	-39.2	-173.9	-176.8	174.4	179	169.8	0	114	L215 K219 I220 L254 G255 F256	L215-K217 PolarHBondContact O-N 3.39Å; K217-K219 PolarHBondContact O-N 3.32Å; K217-I220 PolarHBondContact O-N 2.9Å; K217-L254 WeakPolarHBondContact CE-O 3.48Å; K217-L254 PolarHBondContact NZ-O 3.49Å; K217-G255 VanDerWaalsContact CE-O 3.27Å; K217-G255 WeakPolarHBondContact CE-O 3.34Å; K217-F256 HydrophobicContact CB-CE1 4.1Å; K217-F256 HydrophobicContact CB-CZ 4.22Å; K217-F256 HydrophobicContact CG-CE1 4.18Å
218	D	97.8	Very high	98.6	Very high	135 Å²	135	43.1 Å²	43.1	72%	0.722	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-67.1	-21.9	178.5	62.2	-57	0	0	0	113.7	Q216	Q216-D218 PolarHBondContact O-N 2.94Å; Q216-D218 VanDerWaalsContact O-N 3.15Å
219	K	98.3	Very high	98.6	Very high	105 Å²	105	43.3 Å²	43.3	46%	0.457	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-99.9	-8.4	-179.4	-56.6	-175.3	-175.4	170.9	0	113.4	G186 Q216 K217	G186-K219 PolarHBondContact N-O 2.9Å; Q216-K219 HydrophobicContact CB-CB 4.13Å; Q216-K219 HydrophobicContact CB-CD 3.96Å; Q216-K219 HydrophobicContact CB-CG 4.02Å; Q216-K219 HydrophobicContact CG-CD 4.38Å; Q216-K219 PolarHBondContact O-N 3.25Å; K217-K219 PolarHBondContact O-N 3.32Å
220	I	98.8	Very high	98.5	Very high	19 Å²	19	44 Å²	44	10%	0.097	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	129	-174.3	-69.3	166.4	0	0	0	109.9	G186 I188 L215 Q216 K217 I223 F256	G186-I220 WeakPolarHBondContact O-CA 3.36Å; I188-I220 HydrophobicContact CD1-CD1 4.4Å; I188-I220 HydrophobicContact CD1-CG1 4.15Å; I188-I220 HydrophobicContact CG1-CD1 3.98Å; I188-I220 HydrophobicContact CG1-CG1 3.87Å; I188-I220 HydrophobicContact CG1-CG2 3.95Å; L215-I220 HydrophobicContact CB-CD1 3.53Å; L215-I220 HydrophobicContact CD1-CD1 4.24Å; L215-I220 HydrophobicContact CD2-CD1 3.81Å; L215-I220 HydrophobicContact CG-CD1 4.04Å; Q216-I220 WeakPolarHBondContact O-CG1 3.35Å; Q216-I220 PolarHBondContact O-N 3.41Å; K217-I220 PolarHBondContact O-N 2.9Å; I220-I223 HydrophobicContact CG2-CG1 4.26Å; I220-F256 HydrophobicContact CB-CD1 4.33Å; I220-F256 HydrophobicContact CB-CE1 4.01Å; I220-F256 HydrophobicContact CD1-CE1 3.72Å; I220-F256 HydrophobicContact CD1-CZ 4.26Å; I220-F256 HydrophobicContact CG1-CE1 4.47Å; I220-F256 HydrophobicContact CG2-CD1 3.86Å; I220-F256 HydrophobicContact CG2-CE1 3.97Å
221	T	98.6	Very high	98.5	Very high	65 Å²	65	42.2 Å²	42.2	40%	0.399	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-50.3	177.6	-53.5	0	0	0	0	111	R104 G186	R104-T221 PolarHBondContact NH2-OG1 3.05Å; G186-T221 PolarHBondContact O-N 3.14Å
222	R	98.8	Very high	98.2	Very high	81 Å²	81	44.1 Å²	44.1	31%	0.306	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	164.6	176.3	64.6	-176.3	-177.2	101.2	7.7	110.3	V187 I188 E224 Q257 S259	V187-R222 WeakPolarHBondContact CA-O 3.43Å; V187-R222 HydrophobicContact CG1-CG 4.26Å; V187-R222 HydrophobicContact CG2-CG 4.17Å; I188-R222 PolarHBondContact N-O 3.41Å; R222-E224 IonicContact CZ-OE2 2.64Å; R222-E224 IonicContact NH1-OE2 3.48Å; R222-E224 PolarHBondContact NH1-OE2 2.93Å; R222-E224 IonicContact NH2-OE2 3.43Å; R222-E224 PolarHBondContact NH2-OE2 3.32Å; R222-Q257 CarbonylContact C-O 3.54Å; R222-Q257 VanDerWaalsContact CA-O 3.23Å; R222-Q257 WeakPolarHBondContact CA-O 3.04Å; R222-Q257 HydrophobicContact CB-CB 3.89Å; R222-Q257 WeakPolarHBondContact CB-O 3.44Å; R222-S259 PolarHBondContact NH1-OG 2.86Å
223	I	98.9	Very high	98	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122	174.6	-57.1	174	0	0	0	108.6	I188 V190 L215 I220 I225 L251 F256 Q257 H258 S259	I188-I223 HydrophobicContact CB-CG1 4.12Å; I188-I223 HydrophobicContact CB-CG2 4.5Å; I188-I223 CarbonylContact O-C 3.59Å; I188-I223 WeakPolarHBondContact O-CA 3.4Å; V190-I223 HydrophobicContact CG2-CG2 3.73Å; L215-I223 HydrophobicContact CD1-CD1 4.04Å; I220-I223 HydrophobicContact CG2-CG1 4.26Å; I223-I225 HydrophobicContact CG2-CG1 4.41Å; I223-L251 HydrophobicContact CB-CD1 4.16Å; I223-L251 HydrophobicContact CD1-CD1 3.95Å; I223-L251 HydrophobicContact CD1-CD2 3.59Å; I223-L251 HydrophobicContact CD1-CG 4.26Å; I223-L251 HydrophobicContact CG2-CD1 3.86Å; I223-F256 HydrophobicContact CD1-CB 3.81Å; I223-F256 HydrophobicContact CD1-CD1 3.96Å; I223-F256 HydrophobicContact CD1-CD2 3.93Å; I223-F256 HydrophobicContact CD1-CE2 4.49Å; I223-F256 HydrophobicContact CD1-CG 3.63Å; I223-F256 HydrophobicContact CG1-CB 4.37Å; I223-F256 HydrophobicContact CG1-CD1 4.46Å; I223-F256 HydrophobicContact CG1-CG 4.44Å; I223-Q257 PolarHBondContact N-O 2.78Å; I223-H258 HydrophobicContact CB-CB 4.5Å; I223-H258 CarbonylContact O-C 3.51Å; I223-H258 WeakPolarHBondContact O-CA 3.29Å; I223-S259 PolarHBondContact O-N 3.39Å
224	E	98.9	Very high	98	Very high	20 Å²	20	45.9 Å²	45.9	9%	0.093	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.8	177.4	-168.4	173.6	106.8	0	0	109.9	V187 I188 N189 V190 R222 W226 S259 I261	V187-E224 HydrophobicContact CG1-CB 4.36Å; I188-E224 PolarHBondContact O-N 2.94Å; N189-E224 CarbonylContact C-O 3.57Å; N189-E224 WeakPolarHBondContact CA-O 3.3Å; V190-E224 PolarHBondContact N-O 2.81Å; R222-E224 IonicContact CZ-OE2 2.64Å; R222-E224 IonicContact NH1-OE2 3.48Å; R222-E224 PolarHBondContact NH1-OE2 2.93Å; R222-E224 IonicContact NH2-OE2 3.43Å; R222-E224 PolarHBondContact NH2-OE2 3.32Å; E224-W226 PolarHBondContact OE1-NE1 3.04Å; E224-S259 CarbonylContact C-O 3.52Å; E224-S259 WeakPolarHBondContact CA-O 3.47Å; E224-I261 HydrophobicContact CG-CD1 4.02Å
225	I	98.9	Very high	97.9	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.4	-178.5	-55.9	164	0	0	0	108.5	V190 L192 I223 V227 L247 E248 L251 S259 C260 I261	V190-I225 HydrophobicContact CB-CG1 4.47Å; V190-I225 CarbonylContact O-C 3.6Å; L192-I225 HydrophobicContact CD1-CG2 3.68Å; L192-I225 HydrophobicContact CG-CG2 4.1Å; I223-I225 HydrophobicContact CG2-CG1 4.41Å; I225-V227 HydrophobicContact CG2-CG2 4.12Å; I225-L247 HydrophobicContact CD1-CD2 3.78Å; I225-L247 HydrophobicContact CD1-CG 4.12Å; I225-L247 HydrophobicContact CG1-CD2 4.31Å; I225-E248 HydrophobicContact CD1-CG 4.25Å; I225-L251 HydrophobicContact CD1-CD1 4.05Å; I225-S259 PolarHBondContact N-O 3.32Å; I225-C260 HydrophobicContact CB-CB 4.26Å; I225-C260 CarbonylContact O-C 3.37Å; I225-C260 WeakPolarHBondContact O-CA 3.45Å; I225-I261 PolarHBondContact O-N 3.19Å
226	W	98.9	Very high	97.9	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.015	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	110.7	173.3	-52	-26.5	0	0	0	108.7	L108 F120 L127 N189 V190 M191 L192 E224 M228 I261 Y264 V267	L108-W226 HydrophobicContact CD1-CE3 4.26Å; L108-W226 HydrophobicContact CD1-CH2 4.42Å; L108-W226 HydrophobicContact CD1-CZ3 3.79Å; F120-W226 HydrophobicContact CD1-CZ3 4.25Å; F120-W226 HydrophobicContact CE1-CH2 4.01Å; F120-W226 AromaticContact CE1-CZ3 3.77Å; F120-W226 HydrophobicContact CE1-CZ3 3.77Å; L127-W226 HydrophobicContact CD1-CH2 3.6Å; L127-W226 HydrophobicContact CD1-CZ3 4.03Å; N189-W226 HydrophobicContact CB-CH2 3.82Å; N189-W226 HydrophobicContact CB-CZ2 3.83Å; N189-W226 HydrophobicContact CB-CZ3 4.36Å; N189-W226 VanDerWaalsContact OD1-CZ2 3.32Å; N189-W226 WeakPolarHBondContact OD1-CZ2 3.41Å; V190-W226 PolarHBondContact O-N 3.42Å; M191-W226 HydrophobicContact CB-CE3 4.37Å; M191-W226 HydrophobicContact CE-CE3 3.93Å; M191-W226 HydrophobicContact CE-CZ3 4.07Å; L192-W226 PolarHBondContact N-O 3.17Å; E224-W226 PolarHBondContact OE1-NE1 3.04Å; W226-M228 HydrophobicContact CB-SD 4.02Å; W226-I261 WeakPolarHBondContact CA-O 3.28Å; W226-Y264 AromaticContact CD1-CG 3.93Å; W226-Y264 AromaticContact CD2-CD1 3.6Å; W226-Y264 HydrophobicContact CD2-CD1 3.6Å; W226-Y264 HydrophobicContact CD2-CE1 4.26Å; W226-Y264 AromaticContact CD2-CG 3.94Å; W226-Y264 HydrophobicContact CD2-CG 3.94Å; W226-Y264 AromaticContact CE2-CD1 3.55Å; W226-Y264 AromaticContact CE2-CE1 3.79Å; W226-Y264 AromaticContact CE2-CG 3.92Å; W226-Y264 AromaticContact CE3-CD1 3.86Å; W226-Y264 HydrophobicContact CE3-CD1 3.86Å; W226-Y264 HydrophobicContact CE3-CE1 4.46Å; W226-Y264 HydrophobicContact CG-CD1 4.13Å; W226-Y264 AromaticContact CG-CG 3.97Å; W226-Y264 HydrophobicContact CG-CG 3.97Å; W226-Y264 HydrophobicContact CH2-CD1 4.03Å; W226-Y264 AromaticContact CH2-CE1 3.8Å; W226-Y264 HydrophobicContact CH2-CE1 3.8Å; W226-Y264 AromaticContact CZ2-CD1 3.8Å; W226-Y264 HydrophobicContact CZ2-CD1 3.8Å; W226-Y264 AromaticContact CZ2-CE1 3.56Å; W226-Y264 HydrophobicContact CZ2-CE1 3.56Å; W226-Y264 HydrophobicContact CZ3-CD1 4.06Å; W226-Y264 HydrophobicContact CZ3-CE1 4.25Å; W226-Y264 AromaticContact NE1-CD1 3.99Å; W226-Y264 AromaticContact NE1-CG 3.88Å; W226-V267 HydrophobicContact CE3-CG2 4.17Å; W226-V267 HydrophobicContact CZ3-CG2 4.27Å
227	V	98.9	Very high	97.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	104.5	174.5	-176.5	0	0	0	0	107.3	A200 I225 E237 V244 I261 N262 D263	A200-V227 HydrophobicContact CB-CG1 4.49Å; I225-V227 HydrophobicContact CG2-CG2 4.12Å; V227-E237 VanDerWaalsContact CG1-O 3.31Å; V227-E237 WeakPolarHBondContact CG1-O 3.38Å; V227-V244 HydrophobicContact CG2-CG1 4.07Å; V227-V244 HydrophobicContact CG2-CG2 4Å; V227-I261 PolarHBondContact N-O 2.84Å; V227-N262 WeakPolarHBondContact O-CA 3.47Å; V227-D263 PolarHBondContact O-N 3.46Å
228	M	98.8	Very high	98	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	135.2	-175.4	-56.5	-51.9	-51	0	0	110.4	L116 M191 L192 G194 W226 Y264 V267 K268 M271	L116-M228 HydrophobicContact CD2-CB 4.44Å; L116-M228 HydrophobicContact CD2-CG 4.46Å; M191-M228 HydrophobicContact CG-CG 3.77Å; M191-M228 HydrophobicContact SD-CG 4.33Å; L192-M228 PolarHBondContact O-N 3.1Å; G194-M228 PolarHBondContact N-O 2.97Å; W226-M228 HydrophobicContact CB-SD 4.02Å; M228-Y264 PolarHBondContact SD-N 3.03Å; M228-Y264 VanDerWaalsContact SD-N 3.39Å; M228-V267 HydrophobicContact CE-CB 3.65Å; M228-V267 HydrophobicContact CE-CG1 3.61Å; M228-V267 HydrophobicContact CG-CG1 4.17Å; M228-V267 HydrophobicContact SD-CB 4.01Å; M228-V267 HydrophobicContact SD-CG1 4.03Å; M228-K268 HydrophobicContact CE-CB 4.45Å; M228-M271 HydrophobicContact CB-SD 4.46Å; M228-M271 HydrophobicContact CE-SD 3.79Å
229	H	98.5	Very high	98	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.019	22%	0.223	C	C	.	.			trans	-113.4	136.8	176.3	-53.8	96.6	0	0	0	110.9	I235 E237 S238 D263 K268 M271	H229-I235 HydrophobicContact CB-CG1 4.48Å; H229-E237 PolarHBondContact NE2-O 2.97Å; H229-S238 PolarHBondContact CE1-OG 2.81Å; H229-S238 PolarHBondContact NE2-OG 3.27Å; H229-D263 IonicContact CE1-OD2 2.78Å; H229-D263 IonicContact CG-OD2 3.78Å; H229-D263 PolarHBondContact N-OD1 2.84Å; H229-D263 IonicContact ND1-OD1 2.87Å; H229-D263 IonicContact ND1-OD2 2.97Å; H229-D263 PolarHBondContact ND1-OD2 3.19Å; H229-K268 PolarHBondContact O-NZ 2.89Å; H229-M271 WeakPolarHBondContact O-CE 3.42Å
230	E	97.2	Very high	98	Very high	85 Å²	85	35.6 Å²	35.6	40%	0.397	22%	0.219	S	C	.	.			trans	-54.9	140.1	173.3	-69	-58.1	152.4	0	0	110.8	S195 G232 G233	S195-E230 PolarHBondContact OG-N 2.03Å; E230-G232 PolarHBondContact O-N 2.85Å; E230-G233 PolarHBondContact O-N 3.39Å
231	V	97	Very high	98	Very high	13 Å²	13	39.6 Å²	39.6	8%	0.079	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	117.9	-179	179.6	0	0	0	0	109.4	G233 M271 H275 H278 D280	V231-G233 PolarHBondContact O-N 3.39Å; V231-M271 HydrophobicContact CG2-CB 4.08Å; V231-H275 HydrophobicContact CB-CB 4.06Å; V231-H275 HydrophobicContact CG1-CB 3.63Å; V231-H275 HydrophobicContact CG2-CB 4.35Å; V231-H278 HydrophobicContact CG1-CB 3.74Å; V231-H278 VanDerWaalsContact CG1-CG 3.44Å; V231-H278 WeakPolarHBondContact CG1-ND1 3.34Å; V231-D280 HydrophobicContact CG1-CB 4.46Å
232	G	94.1	Very high	98	Very high	52 Å²	52	38.7 Å²	38.7	54%	0.536	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	6.2	-172.3	0	0	0	0	0	114.6	E230 H278	E230-G232 PolarHBondContact O-N 2.85Å; G232-H278 WeakPolarHBondContact CA-NE2 2.99Å
233	G	95	Very high	98	Very high	29 Å²	29	35.3 Å²	35.3	30%	0.299	23%	0.23	S	C	.	.	S	Bend	trans	-84.1	177.8	177.9	0	0	0	0	0	113.4	E230 V231	E230-G233 PolarHBondContact O-N 3.39Å; V231-G233 PolarHBondContact O-N 3.39Å
234	P	96.9	Very high	98	Very high	83 Å²	83	35.3 Å²	35.3	54%	0.539	23%	0.229	S	C	.	.			trans	-68.4	140.9	176.4	30.1	-34.2	0	0	0	110.9	S195 V236	S195-P234 WeakPolarHBondContact CA-O 3.37Å; S195-P234 VanDerWaalsContact CB-O 3.27Å; S195-P234 WeakPolarHBondContact CB-O 3.41Å; S195-P234 PolarHBondContact OG-O 2.84Å; P234-V236 HydrophobicContact CB-CG2 4.18Å; P234-V236 HydrophobicContact CG-CG2 4.35Å
235	I	97.8	Very high	98	Very high	118 Å²	118	37.8 Å²	37.8	61%	0.605	24%	0.24	S	C	*	.			trans	-95.4	97.3	166	-62	170.5	0	0	0	105.7	H229	H229-I235 HydrophobicContact CB-CG1 4.48Å
236	V	98.6	Very high	98	Very high	58 Å²	58	42 Å²	42	35%	0.352	26%	0.262	S	S	.	.			trans	-84.6	-47.7	-178.6	-177.8	0	0	0	0	110	G194 E196 P234	G194-V236 WeakPolarHBondContact O-CA 3.33Å; G194-V236 WeakPolarHBondContact O-CB 3.36Å; G194-V236 PolarHBondContact O-N 3.26Å; E196-V236 WeakPolarHBondContact O-CG1 3.43Å; P234-V236 HydrophobicContact CB-CG2 4.18Å; P234-V236 HydrophobicContact CG-CG2 4.35Å
237	E	98.4	Very high	98	Very high	28 Å²	28	41.9 Å²	41.9	13%	0.131	26%	0.261	C	S	.	.			trans	-143	138.8	175.9	-70.7	-177.5	157.9	0	0	111	G194 G199 A200 V227 H229 G242 S243 V244	G194-E237 WeakPolarHBondContact CA-O 3.47Å; G194-E237 PolarHBondContact O-N 3.16Å; G194-E237 VanDerWaalsContact O-N 3.1Å; G199-E237 VanDerWaalsContact CA-OE2 3.31Å; G199-E237 WeakPolarHBondContact CA-OE2 3.34Å; A200-E237 HydrophobicContact CB-CB 4.47Å; A200-E237 PolarHBondContact N-OE2 2.89Å; V227-E237 VanDerWaalsContact CG1-O 3.31Å; V227-E237 WeakPolarHBondContact CG1-O 3.38Å; H229-E237 PolarHBondContact NE2-O 2.97Å; E237-G242 VanDerWaalsContact OE1-CA 3.27Å; E237-G242 WeakPolarHBondContact OE1-CA 3.46Å; E237-S243 VanDerWaalsContact CD-N 3.34Å; E237-S243 PolarHBondContact OE1-N 3.26Å; E237-S243 WeakPolarHBondContact OE2-CB 3.41Å; E237-S243 PolarHBondContact OE2-N 2.99Å; E237-S243 PolarHBondContact OE2-OG 2.04Å; E237-V244 HydrophobicContact CB-CG2 4.37Å
238	S	98.7	Very high	98	Very high	19 Å²	19	42.9 Å²	42.9	13%	0.133	27%	0.266	C	S	.	.			trans	-111.2	176.4	169.3	-78.7	0	0	0	0	111.8	H229 G240 E241 N262	H229-S238 PolarHBondContact CE1-OG 2.81Å; H229-S238 PolarHBondContact NE2-OG 3.27Å; S238-G240 PolarHBondContact O-N 2.82Å; S238-E241 PolarHBondContact N-OE2 2.92Å; S238-E241 WeakPolarHBondContact O-CB 3.34Å; S238-E241 PolarHBondContact O-N 3.07Å; S238-E241 VanDerWaalsContact O-N 3.08Å; S238-N262 WeakPolarHBondContact CA-OD1 3.31Å; S238-N262 WeakPolarHBondContact CB-OD1 3.32Å
239	C	98.8	Very high	98	Very high	31 Å²	31	46.5 Å²	46.5	21%	0.209	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	134.6	171.9	-69.3	0	0	0	0	113	E241 C260 I261 N262	C239-E241 VanDerWaalsContact C-N 3.25Å; C239-E241 PolarHBondContact O-N 3.06Å; C239-C260 WeakPolarHBondContact CA-SG 3.4Å; C239-C260 HydrophobicContact CB-CB 3.63Å; C239-C260 WeakPolarHBondContact CB-SG 3.32Å; C239-C260 WeakPolarHBondContact SG-CB 3.38Å; C239-C260 CovalentContact SG-SG 2.03Å; C239-C260 PolarHBondContact SG-SG 2.54Å; C239-I261 VanDerWaalsContact SG-C 3.53Å; C239-I261 PolarHBondContact SG-N 3.39Å; C239-N262 PolarHBondContact N-OD1 2.96Å; C239-N262 PolarHBondContact SG-OD1 2.85Å; C239-N262 VanDerWaalsContact SG-OD1 3.32Å
240	G	98.4	Very high	98	Very high	36 Å²	36	50 Å²	50	37%	0.371	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	5.1	-177.7	0	0	0	0	0	115.8	S238 E248	S238-G240 PolarHBondContact O-N 2.82Å; G240-E248 PolarHBondContact N-OE1 2.89Å
241	E	98.4	Very high	98	Very high	103 Å²	103	45.9 Å²	45.9	48%	0.481	28%	0.279	S	S	.	.	S	Bend	trans	-111	150.8	-179.8	-59.4	179.3	163.8	0	0	112	S238 C239 S243 V244 K245	S238-E241 PolarHBondContact N-OE2 2.92Å; S238-E241 WeakPolarHBondContact O-CB 3.34Å; S238-E241 PolarHBondContact O-N 3.07Å; S238-E241 VanDerWaalsContact O-N 3.08Å; C239-E241 VanDerWaalsContact C-N 3.25Å; C239-E241 PolarHBondContact O-N 3.06Å; E241-S243 PolarHBondContact O-N 3.27Å; E241-V244 WeakPolarHBondContact O-CA 3.43Å; E241-V244 WeakPolarHBondContact O-CB 3.46Å; E241-V244 PolarHBondContact O-N 3.12Å; E241-K245 PolarHBondContact O-N 2.89Å; E241-K245 VanDerWaalsContact O-N 3.08Å
242	G	98.2	Very high	98.1	Very high	46 Å²	46	51.1 Å²	51.1	47%	0.474	30%	0.303	S	S	.	.	H	α-helix	trans	43	-121.5	170.8	0	0	0	0	0	114.8	E237 V244 K245 I246	E237-G242 VanDerWaalsContact OE1-CA 3.27Å; E237-G242 WeakPolarHBondContact OE1-CA 3.46Å; G242-V244 VanDerWaalsContact C-N 3.33Å; G242-V244 PolarHBondContact O-N 3.26Å; G242-K245 WeakPolarHBondContact O-CB 2.98Å; G242-K245 PolarHBondContact O-N 3.32Å; G242-I246 PolarHBondContact O-N 2.82Å
243	S	98.7	Very high	98.3	Very high	11 Å²	11	53 Å²	53	8%	0.077	31%	0.313	C	S	.	.	H	α-helix	trans	-69.7	-27.3	-178.7	79.1	0	0	0	0	113.7	A200 Y201 E237 E241 K245 I246 L247	A200-S243 PolarHBondContact N-OG 2.94Å; Y201-S243 WeakPolarHBondContact CD1-O 3.18Å; Y201-S243 PolarHBondContact N-OG 2.77Å; Y201-S243 VanDerWaalsContact O-CB 3.29Å; Y201-S243 WeakPolarHBondContact O-CB 3.42Å; Y201-S243 PolarHBondContact O-OG 2.99Å; E237-S243 VanDerWaalsContact CD-N 3.34Å; E237-S243 PolarHBondContact OE1-N 3.26Å; E237-S243 WeakPolarHBondContact OE2-CB 3.41Å; E237-S243 PolarHBondContact OE2-N 2.99Å; E237-S243 PolarHBondContact OE2-OG 2.04Å; E241-S243 PolarHBondContact O-N 3.27Å; S243-K245 VanDerWaalsContact C-N 3.32Å; S243-K245 PolarHBondContact O-N 3.24Å; S243-I246 WeakPolarHBondContact O-CB 3.42Å; S243-I246 PolarHBondContact O-N 3.12Å; S243-L247 PolarHBondContact O-N 3.43Å
244	V	98.8	Very high	98.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.9	-40.8	173.4	-173.4	0	0	0	0	110.4	A200 V227 E237 E241 G242 I246 L247 E248	A200-V244 HydrophobicContact CB-CG2 3.7Å; V227-V244 HydrophobicContact CG2-CG1 4.07Å; V227-V244 HydrophobicContact CG2-CG2 4Å; E237-V244 HydrophobicContact CB-CG2 4.37Å; E241-V244 WeakPolarHBondContact O-CA 3.43Å; E241-V244 WeakPolarHBondContact O-CB 3.46Å; E241-V244 PolarHBondContact O-N 3.12Å; G242-V244 VanDerWaalsContact C-N 3.33Å; G242-V244 PolarHBondContact O-N 3.26Å; V244-I246 VanDerWaalsContact C-N 3.3Å; V244-I246 PolarHBondContact O-N 3.34Å; V244-L247 WeakPolarHBondContact O-CB 3.45Å; V244-L247 PolarHBondContact O-N 3.17Å; V244-E248 WeakPolarHBondContact O-CG 3.39Å; V244-E248 PolarHBondContact O-N 3.12Å
245	K	98.8	Very high	98.5	Very high	73 Å²	73	53.1 Å²	53.1	32%	0.317	31%	0.311	S	S	.	.	H	α-helix	trans	-61	-40	174.6	-171.3	70.5	-165.3	73.6	0	112.1	E241 G242 S243 L247 E248 D249	E241-K245 PolarHBondContact O-N 2.89Å; E241-K245 VanDerWaalsContact O-N 3.08Å; G242-K245 WeakPolarHBondContact O-CB 2.98Å; G242-K245 PolarHBondContact O-N 3.32Å; S243-K245 VanDerWaalsContact C-N 3.32Å; S243-K245 PolarHBondContact O-N 3.24Å; K245-L247 VanDerWaalsContact C-N 3.32Å; K245-L247 PolarHBondContact O-N 2.8Å; K245-E248 PolarHBondContact O-N 3.38Å; K245-D249 IonicContact NZ-OD1 3.62Å; K245-D249 PolarHBondContact NZ-OD1 3.28Å; K245-D249 IonicContact NZ-OD2 2.89Å; K245-D249 PolarHBondContact NZ-OD2 3.44Å; K245-D249 PolarHBondContact O-N 3.38Å
246	I	98.8	Very high	98.6	Very high	89 Å²	89	48.5 Å²	48.5	46%	0.456	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-42.2	176	-62.6	173.5	0	0	0	110.7	Y201 V203 G242 S243 V244 R250	Y201-I246 HydrophobicContact CE1-CG2 4.22Å; V203-I246 HydrophobicContact CG1-CD1 4.37Å; V203-I246 HydrophobicContact CG1-CG2 4.09Å; G242-I246 PolarHBondContact O-N 2.82Å; S243-I246 WeakPolarHBondContact O-CB 3.42Å; S243-I246 PolarHBondContact O-N 3.12Å; V244-I246 VanDerWaalsContact C-N 3.3Å; V244-I246 PolarHBondContact O-N 3.34Å; I246-R250 WeakPolarHBondContact O-CB 3.22Å; I246-R250 PolarHBondContact O-N 3.17Å
247	L	98.8	Very high	98.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-50.6	174.5	174.2	60.4	0	0	0	111.2	L192 Y201 F207 I212 I225 S243 V244 K245 D249 R250 L251	L192-L247 HydrophobicContact CD1-CD2 3.76Å; Y201-L247 HydrophobicContact CD1-CB 3.72Å; Y201-L247 HydrophobicContact CD2-CB 4.14Å; Y201-L247 HydrophobicContact CD2-CD1 4.13Å; Y201-L247 HydrophobicContact CD2-CD2 4.1Å; Y201-L247 HydrophobicContact CD2-CG 4.35Å; Y201-L247 HydrophobicContact CE1-CB 4.04Å; Y201-L247 HydrophobicContact CE2-CB 4.44Å; Y201-L247 HydrophobicContact CE2-CD1 3.85Å; Y201-L247 HydrophobicContact CG-CB 3.76Å; Y201-L247 HydrophobicContact CG-CD2 4.31Å; Y201-L247 HydrophobicContact CG-CG 4.44Å; F207-L247 HydrophobicContact CE1-CD1 3.82Å; F207-L247 HydrophobicContact CE1-CD2 3.98Å; I212-L247 HydrophobicContact CD1-CD1 3.6Å; I225-L247 HydrophobicContact CD1-CD2 3.78Å; I225-L247 HydrophobicContact CD1-CG 4.12Å; I225-L247 HydrophobicContact CG1-CD2 4.31Å; S243-L247 PolarHBondContact O-N 3.43Å; V244-L247 WeakPolarHBondContact O-CB 3.45Å; V244-L247 PolarHBondContact O-N 3.17Å; K245-L247 VanDerWaalsContact C-N 3.32Å; K245-L247 PolarHBondContact O-N 2.8Å; L247-D249 PolarHBondContact O-N 3.44Å; L247-R250 WeakPolarHBondContact O-CB 3Å; L247-R250 PolarHBondContact O-N 3.21Å; L247-R250 VanDerWaalsContact O-N 3.14Å; L247-L251 HydrophobicContact CD1-CD1 4.03Å; L247-L251 HydrophobicContact CD1-CD2 4.2Å; L247-L251 HydrophobicContact CD1-CG 3.89Å; L247-L251 HydrophobicContact CG-CD1 4.12Å; L247-L251 HydrophobicContact CG-CG 4.34Å; L247-L251 WeakPolarHBondContact O-CG 3.37Å; L247-L251 PolarHBondContact O-N 3.21Å
248	E	98.8	Very high	98.6	Very high	22 Å²	22	53.9 Å²	53.9	10%	0.103	31%	0.308	C	S	.	.	H	α-helix	trans	-54.7	-48.9	178.8	-71.8	173.9	-179.9	0	0	111.7	I225 G240 V244 K245 R250 L251 E252 C260	I225-E248 HydrophobicContact CD1-CG 4.25Å; G240-E248 PolarHBondContact N-OE1 2.89Å; V244-E248 WeakPolarHBondContact O-CG 3.39Å; V244-E248 PolarHBondContact O-N 3.12Å; K245-E248 PolarHBondContact O-N 3.38Å; E248-R250 VanDerWaalsContact C-N 3.33Å; E248-R250 PolarHBondContact O-N 3.13Å; E248-L251 PolarHBondContact O-N 3.39Å; E248-E252 WeakPolarHBondContact O-CB 3.41Å; E248-E252 PolarHBondContact O-N 3.4Å; E248-C260 WeakPolarHBondContact OE1-CB 3.31Å
249	D	98.8	Very high	98.6	Very high	77 Å²	77	54.7 Å²	54.7	41%	0.412	31%	0.314	S	S	.	.	H	α-helix	trans	-60.9	-40.7	177.2	-75.9	-37.7	0	0	0	112.1	K245 L247 E252 A253	K245-D249 IonicContact NZ-OD1 3.62Å; K245-D249 PolarHBondContact NZ-OD1 3.28Å; K245-D249 IonicContact NZ-OD2 2.89Å; K245-D249 PolarHBondContact NZ-OD2 3.44Å; K245-D249 PolarHBondContact O-N 3.38Å; L247-D249 PolarHBondContact O-N 3.44Å; D249-E252 PolarHBondContact O-N 3.4Å; D249-A253 VanDerWaalsContact O-CB 3.3Å; D249-A253 WeakPolarHBondContact O-CB 3.46Å; D249-A253 PolarHBondContact O-N 3.26Å
250	R	98.6	Very high	98.6	Very high	76 Å²	76	54.8 Å²	54.8	29%	0.287	31%	0.314	S	S	.	.	H	α-helix	trans	-65.1	-44	177.4	-176.6	-179.6	-178.4	-172.3	0.8	111.4	Y201 A208 I246 L247 E248 A253 L254	Y201-R250 PolarHBondContact OH-NH1 2.59Å; A208-R250 VanDerWaalsContact O-CZ 3.25Å; A208-R250 PolarHBondContact O-NH1 2.85Å; A208-R250 PolarHBondContact O-NH2 3.48Å; I246-R250 WeakPolarHBondContact O-CB 3.22Å; I246-R250 PolarHBondContact O-N 3.17Å; L247-R250 WeakPolarHBondContact O-CB 3Å; L247-R250 PolarHBondContact O-N 3.21Å; L247-R250 VanDerWaalsContact O-N 3.14Å; E248-R250 VanDerWaalsContact C-N 3.33Å; E248-R250 PolarHBondContact O-N 3.13Å; R250-A253 PolarHBondContact O-N 3.5Å; R250-L254 HydrophobicContact CG-CD1 4.26Å; R250-L254 VanDerWaalsContact O-CG 3.3Å; R250-L254 WeakPolarHBondContact O-CG 3.25Å; R250-L254 PolarHBondContact O-N 3.41Å
251	L	98.7	Very high	98.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.8	-41.5	178.7	-66.1	-178	0	0	0	111.2	I212 I223 I225 L247 E248 L254 G255 F256 H258	I212-L251 HydrophobicContact CD1-CD2 4.33Å; I212-L251 HydrophobicContact CG1-CD2 4.42Å; I212-L251 HydrophobicContact CG2-CD2 4.42Å; I223-L251 HydrophobicContact CB-CD1 4.16Å; I223-L251 HydrophobicContact CD1-CD1 3.95Å; I223-L251 HydrophobicContact CD1-CD2 3.59Å; I223-L251 HydrophobicContact CD1-CG 4.26Å; I223-L251 HydrophobicContact CG2-CD1 3.86Å; I225-L251 HydrophobicContact CD1-CD1 4.05Å; L247-L251 HydrophobicContact CD1-CD1 4.03Å; L247-L251 HydrophobicContact CD1-CD2 4.2Å; L247-L251 HydrophobicContact CD1-CG 3.89Å; L247-L251 HydrophobicContact CG-CD1 4.12Å; L247-L251 HydrophobicContact CG-CG 4.34Å; L247-L251 WeakPolarHBondContact O-CG 3.37Å; L247-L251 PolarHBondContact O-N 3.21Å; E248-L251 PolarHBondContact O-N 3.39Å; L251-L254 PolarHBondContact O-N 3.08Å; L251-G255 PolarHBondContact O-N 3.33Å; L251-F256 HydrophobicContact CB-CB 4.4Å; L251-F256 HydrophobicContact CD2-CD2 4.28Å; L251-F256 PolarHBondContact O-N 3.49Å; L251-H258 HydrophobicContact CD1-CB 4.19Å
252	E	98.3	Very high	98.6	Very high	123 Å²	123	54.1 Å²	54.1	58%	0.575	31%	0.305	S	S	*	.	H	α-helix	trans	-63.5	-44.1	174.7	-174.8	173	-171.4	0	0	112	E248 D249 L254 G255	E248-E252 WeakPolarHBondContact O-CB 3.41Å; E248-E252 PolarHBondContact O-N 3.4Å; D249-E252 PolarHBondContact O-N 3.4Å; E252-L254 VanDerWaalsContact C-N 3.26Å; E252-L254 PolarHBondContact O-N 3.48Å; E252-G255 VanDerWaalsContact O-CA 3.23Å; E252-G255 WeakPolarHBondContact O-CA 3.46Å; E252-G255 PolarHBondContact O-N 2.95Å
253	A	98.6	Very high	98.6	Very high	90 Å²	90	54.1 Å²	54.1	74%	0.744	29%	0.294	S	S	*	.	H	α-helix	trans	-62.1	-32.7	176.8	0	0	0	0	0	112.9	D249 R250 G255	D249-A253 VanDerWaalsContact O-CB 3.3Å; D249-A253 WeakPolarHBondContact O-CB 3.46Å; D249-A253 PolarHBondContact O-N 3.26Å; R250-A253 PolarHBondContact O-N 3.5Å; A253-G255 PolarHBondContact O-N 3.25Å
254	L	98.2	Very high	98.6	Very high	76 Å²	76	56.8 Å²	56.8	40%	0.398	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-8.2	171.6	-66.8	171.4	0	0	0	112.6	I212 K217 R250 L251 E252 F256	I212-L254 HydrophobicContact CG2-CD1 3.52Å; K217-L254 WeakPolarHBondContact CE-O 3.48Å; K217-L254 PolarHBondContact NZ-O 3.49Å; R250-L254 HydrophobicContact CG-CD1 4.26Å; R250-L254 VanDerWaalsContact O-CG 3.3Å; R250-L254 WeakPolarHBondContact O-CG 3.25Å; R250-L254 PolarHBondContact O-N 3.41Å; L251-L254 PolarHBondContact O-N 3.08Å; E252-L254 VanDerWaalsContact C-N 3.26Å; E252-L254 PolarHBondContact O-N 3.48Å; L254-F256 HydrophobicContact CB-CD2 3.73Å; L254-F256 HydrophobicContact CB-CE2 3.84Å; L254-F256 HydrophobicContact CD1-CE2 4.25Å
255	G	98.1	Very high	98.5	Very high	40 Å²	40	65.3 Å²	65.3	41%	0.412	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	31.6	178.2	0	0	0	0	0	113.5	K217 L251 E252 A253	K217-G255 VanDerWaalsContact CE-O 3.27Å; K217-G255 WeakPolarHBondContact CE-O 3.34Å; L251-G255 PolarHBondContact O-N 3.33Å; E252-G255 VanDerWaalsContact O-CA 3.23Å; E252-G255 WeakPolarHBondContact O-CA 3.46Å; E252-G255 PolarHBondContact O-N 2.95Å; A253-G255 PolarHBondContact O-N 3.25Å
256	F	98.6	Very high	98.5	Very high	20 Å²	20	64.3 Å²	64.3	9%	0.088	34%	0.336	C	S	.	.			trans	-85	138.8	167	-68.1	-71.6	0	0	0	110.3	L215 K217 I220 I223 L251 L254	L215-F256 HydrophobicContact CB-CZ 3.84Å; L215-F256 HydrophobicContact CD1-CZ 4.34Å; K217-F256 HydrophobicContact CB-CE1 4.1Å; K217-F256 HydrophobicContact CB-CZ 4.22Å; K217-F256 HydrophobicContact CG-CE1 4.18Å; I220-F256 HydrophobicContact CB-CD1 4.33Å; I220-F256 HydrophobicContact CB-CE1 4.01Å; I220-F256 HydrophobicContact CD1-CE1 3.72Å; I220-F256 HydrophobicContact CD1-CZ 4.26Å; I220-F256 HydrophobicContact CG1-CE1 4.47Å; I220-F256 HydrophobicContact CG2-CD1 3.86Å; I220-F256 HydrophobicContact CG2-CE1 3.97Å; I223-F256 HydrophobicContact CD1-CB 3.81Å; I223-F256 HydrophobicContact CD1-CD1 3.96Å; I223-F256 HydrophobicContact CD1-CD2 3.93Å; I223-F256 HydrophobicContact CD1-CE2 4.49Å; I223-F256 HydrophobicContact CD1-CG 3.63Å; I223-F256 HydrophobicContact CG1-CB 4.37Å; I223-F256 HydrophobicContact CG1-CD1 4.46Å; I223-F256 HydrophobicContact CG1-CG 4.44Å; L251-F256 HydrophobicContact CB-CB 4.4Å; L251-F256 HydrophobicContact CD2-CD2 4.28Å; L251-F256 PolarHBondContact O-N 3.49Å; L254-F256 HydrophobicContact CB-CD2 3.73Å; L254-F256 HydrophobicContact CB-CE2 3.84Å; L254-F256 HydrophobicContact CD1-CE2 4.25Å
257	Q	98.5	Very high	98.5	Very high	139 Å²	139	60 Å²	60	65%	0.65	31%	0.314	S	S	*	.			trans	-70.1	134.2	160.6	-65.8	-175.4	-1.7	0	0	108.3	R222 I223	R222-Q257 CarbonylContact C-O 3.54Å; R222-Q257 VanDerWaalsContact CA-O 3.23Å; R222-Q257 WeakPolarHBondContact CA-O 3.04Å; R222-Q257 HydrophobicContact CB-CB 3.89Å; R222-Q257 WeakPolarHBondContact CB-O 3.44Å; I223-Q257 PolarHBondContact N-O 2.78Å
258	H	98.6	Very high	98.4	Very high	60 Å²	60	61.3 Å²	61.3	28%	0.278	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	159.6	177.3	71	-88.1	0	0	0	112	I223 L251	I223-H258 HydrophobicContact CB-CB 4.5Å; I223-H258 CarbonylContact O-C 3.51Å; I223-H258 WeakPolarHBondContact O-CA 3.29Å; L251-H258 HydrophobicContact CD1-CB 4.19Å
259	S	98.7	Very high	98.3	Very high	36 Å²	36	64.9 Å²	64.9	25%	0.252	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	144.7	171	54.8	0	0	0	0	109.1	R222 I223 E224 I225	R222-S259 PolarHBondContact NH1-OG 2.86Å; I223-S259 PolarHBondContact O-N 3.39Å; E224-S259 CarbonylContact C-O 3.52Å; E224-S259 WeakPolarHBondContact CA-O 3.47Å; I225-S259 PolarHBondContact N-O 3.32Å
260	C	98.9	Very high	98.2	Very high	34 Å²	34	63.4 Å²	63.4	23%	0.23	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.9	178.3	-169.5	0	0	0	0	111.1	I225 C239 E248	I225-C260 HydrophobicContact CB-CB 4.26Å; I225-C260 CarbonylContact O-C 3.37Å; I225-C260 WeakPolarHBondContact O-CA 3.45Å; C239-C260 WeakPolarHBondContact CA-SG 3.4Å; C239-C260 HydrophobicContact CB-CB 3.63Å; C239-C260 WeakPolarHBondContact CB-SG 3.32Å; C239-C260 WeakPolarHBondContact SG-CB 3.38Å; C239-C260 CovalentContact SG-SG 2.03Å; C239-C260 PolarHBondContact SG-SG 2.54Å; E248-C260 WeakPolarHBondContact OE1-CB 3.31Å
261	I	98.9	Very high	98.2	Very high	57 Å²	57	60.6 Å²	60.6	29%	0.292	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	119.2	-179.3	-52.4	173.9	0	0	0	108.6	E224 I225 W226 V227 C239 Y264	E224-I261 HydrophobicContact CG-CD1 4.02Å; I225-I261 PolarHBondContact O-N 3.19Å; W226-I261 WeakPolarHBondContact CA-O 3.28Å; V227-I261 PolarHBondContact N-O 2.84Å; C239-I261 VanDerWaalsContact SG-C 3.53Å; C239-I261 PolarHBondContact SG-N 3.39Å; I261-Y264 HydrophobicContact CD1-CD2 4.18Å; I261-Y264 HydrophobicContact CG2-CD2 4.33Å
262	N	98.8	Very high	98.1	Very high	68 Å²	68	61.4 Å²	61.4	36%	0.364	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	138.3	168.2	-67.5	-43.2	0	0	0	109.8	V227 S238 C239 Y264	V227-N262 WeakPolarHBondContact O-CA 3.47Å; S238-N262 WeakPolarHBondContact CA-OD1 3.31Å; S238-N262 WeakPolarHBondContact CB-OD1 3.32Å; C239-N262 PolarHBondContact N-OD1 2.96Å; C239-N262 PolarHBondContact SG-OD1 2.85Å; C239-N262 VanDerWaalsContact SG-OD1 3.32Å; N262-Y264 PolarHBondContact O-N 3.46Å
263	D	98.2	Very high	98	Very high	46 Å²	46	60.3 Å²	60.3	25%	0.246	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	58.2	175.1	-67.5	-73.6	0	0	0	112.9	V227 H229 R265 K268	V227-D263 PolarHBondContact O-N 3.46Å; H229-D263 IonicContact CE1-OD2 2.78Å; H229-D263 IonicContact CG-OD2 3.78Å; H229-D263 PolarHBondContact N-OD1 2.84Å; H229-D263 IonicContact ND1-OD1 2.87Å; H229-D263 IonicContact ND1-OD2 2.97Å; H229-D263 PolarHBondContact ND1-OD2 3.19Å; D263-R265 PolarHBondContact O-N 2.85Å; D263-K268 HydrophobicContact CB-CD 4.31Å; D263-K268 IonicContact OD1-NZ 2.66Å; D263-K268 PolarHBondContact OD1-NZ 2.95Å
264	Y	98.4	Very high	97.8	Very high	66 Å²	66	62.7 Å²	62.7	26%	0.259	32%	0.324	S	S	.	.			trans	-49.6	116	-179	178.8	-124.4	0	0	0	110.7	F120 W226 M228 I261 N262 P266 V267 K268	F120-Y264 HydrophobicContact CZ-CE1 4.22Å; W226-Y264 AromaticContact CD1-CG 3.93Å; W226-Y264 AromaticContact CD2-CD1 3.6Å; W226-Y264 HydrophobicContact CD2-CD1 3.6Å; W226-Y264 HydrophobicContact CD2-CE1 4.26Å; W226-Y264 AromaticContact CD2-CG 3.94Å; W226-Y264 HydrophobicContact CD2-CG 3.94Å; W226-Y264 AromaticContact CE2-CD1 3.55Å; W226-Y264 AromaticContact CE2-CE1 3.79Å; W226-Y264 AromaticContact CE2-CG 3.92Å; W226-Y264 AromaticContact CE3-CD1 3.86Å; W226-Y264 HydrophobicContact CE3-CD1 3.86Å; W226-Y264 HydrophobicContact CE3-CE1 4.46Å; W226-Y264 HydrophobicContact CG-CD1 4.13Å; W226-Y264 AromaticContact CG-CG 3.97Å; W226-Y264 HydrophobicContact CG-CG 3.97Å; W226-Y264 HydrophobicContact CH2-CD1 4.03Å; W226-Y264 AromaticContact CH2-CE1 3.8Å; W226-Y264 HydrophobicContact CH2-CE1 3.8Å; W226-Y264 AromaticContact CZ2-CD1 3.8Å; W226-Y264 HydrophobicContact CZ2-CD1 3.8Å; W226-Y264 AromaticContact CZ2-CE1 3.56Å; W226-Y264 HydrophobicContact CZ2-CE1 3.56Å; W226-Y264 HydrophobicContact CZ3-CD1 4.06Å; W226-Y264 HydrophobicContact CZ3-CE1 4.25Å; W226-Y264 AromaticContact NE1-CD1 3.99Å; W226-Y264 AromaticContact NE1-CG 3.88Å; M228-Y264 PolarHBondContact SD-N 3.03Å; M228-Y264 VanDerWaalsContact SD-N 3.39Å; I261-Y264 HydrophobicContact CD1-CD2 4.18Å; I261-Y264 HydrophobicContact CG2-CD2 4.33Å; N262-Y264 PolarHBondContact O-N 3.46Å; Y264-P266 HydrophobicContact CD1-CB 4.48Å; Y264-P266 HydrophobicContact CD1-CG 4.3Å; Y264-P266 HydrophobicContact CE1-CB 4.02Å; Y264-P266 HydrophobicContact CE1-CG 3.68Å; Y264-P266 HydrophobicContact CE2-CG 4.16Å; Y264-V267 HydrophobicContact CD1-CG2 3.74Å; Y264-V267 HydrophobicContact CE1-CG2 4.49Å; Y264-V267 WeakPolarHBondContact O-CA 3.48Å; Y264-V267 WeakPolarHBondContact O-CB 3.4Å; Y264-V267 PolarHBondContact O-N 3.37Å; Y264-K268 PolarHBondContact O-N 3.1Å
265	R	97.2	Very high	97.7	Very high	180 Å²	180	62.7 Å²	62.7	68%	0.679	32%	0.322	S	S	*	.	H	α-helix	trans	-54.6	-43.6	-160	-176.7	177.4	-65.9	-179.6	-0.2	114.6	D263 V267 K268 F269	D263-R265 PolarHBondContact O-N 2.85Å; R265-V267 VanDerWaalsContact C-N 3.3Å; R265-V267 PolarHBondContact O-N 3.28Å; R265-K268 PolarHBondContact O-N 2.8Å; R265-F269 HydrophobicContact CG-CD2 4.06Å; R265-F269 HydrophobicContact CG-CE1 4.24Å; R265-F269 HydrophobicContact CG-CE2 3.51Å; R265-F269 HydrophobicContact CG-CZ 3.61Å; R265-F269 WeakPolarHBondContact O-CD2 3.42Å; R265-F269 WeakPolarHBondContact O-CG 3.33Å; R265-F269 PolarHBondContact O-N 3.09Å
266	P	97.8	Very high	97.4	Very high	51 Å²	51	64.9 Å²	64.9	33%	0.331	33%	0.331	S	S	.	.	H	α-helix	trans	-59.3	-38	175.6	-27.3	38.2	0	0	0	113.9	F120 Y264 L270	F120-P266 HydrophobicContact CE2-CB 3.76Å; F120-P266 HydrophobicContact CZ-CB 3.95Å; Y264-P266 HydrophobicContact CD1-CB 4.48Å; Y264-P266 HydrophobicContact CD1-CG 4.3Å; Y264-P266 HydrophobicContact CE1-CB 4.02Å; Y264-P266 HydrophobicContact CE1-CG 3.68Å; Y264-P266 HydrophobicContact CE2-CG 4.16Å; P266-L270 PolarHBondContact O-N 3.25Å
267	V	98.1	Very high	97.2	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-74	-40.6	177.1	-176.8	0	0	0	0	109.6	L116 F120 M191 W226 M228 Y264 R265 F269 L270 M271	L116-V267 HydrophobicContact CD1-CG1 3.85Å; L116-V267 HydrophobicContact CD2-CG1 3.69Å; L116-V267 HydrophobicContact CG-CG1 3.84Å; F120-V267 HydrophobicContact CD1-CG2 3.87Å; F120-V267 HydrophobicContact CD2-CB 4.39Å; F120-V267 HydrophobicContact CD2-CG2 3.69Å; F120-V267 HydrophobicContact CE1-CG2 3.82Å; F120-V267 HydrophobicContact CE2-CB 4.49Å; F120-V267 HydrophobicContact CE2-CG2 3.65Å; F120-V267 HydrophobicContact CG-CG2 3.81Å; F120-V267 HydrophobicContact CZ-CG2 3.71Å; M191-V267 HydrophobicContact CE-CG1 3.92Å; M191-V267 HydrophobicContact CE-CG2 3.71Å; M191-V267 HydrophobicContact SD-CG1 4.25Å; W226-V267 HydrophobicContact CE3-CG2 4.17Å; W226-V267 HydrophobicContact CZ3-CG2 4.27Å; M228-V267 HydrophobicContact CE-CB 3.65Å; M228-V267 HydrophobicContact CE-CG1 3.61Å; M228-V267 HydrophobicContact CG-CG1 4.17Å; M228-V267 HydrophobicContact SD-CB 4.01Å; M228-V267 HydrophobicContact SD-CG1 4.03Å; Y264-V267 HydrophobicContact CD1-CG2 3.74Å; Y264-V267 HydrophobicContact CE1-CG2 4.49Å; Y264-V267 WeakPolarHBondContact O-CA 3.48Å; Y264-V267 WeakPolarHBondContact O-CB 3.4Å; Y264-V267 PolarHBondContact O-N 3.37Å; R265-V267 VanDerWaalsContact C-N 3.3Å; R265-V267 PolarHBondContact O-N 3.28Å; V267-F269 VanDerWaalsContact C-N 3.28Å; V267-F269 PolarHBondContact O-N 2.89Å; V267-L270 WeakPolarHBondContact O-CA 3.34Å; V267-L270 WeakPolarHBondContact O-CB 3.27Å; V267-L270 PolarHBondContact O-N 3.01Å; V267-M271 HydrophobicContact CG1-SD 4.48Å; V267-M271 WeakPolarHBondContact O-CG 3.16Å; V267-M271 PolarHBondContact O-N 3.12Å
268	K	97.4	Very high	97	Very high	27 Å²	27	66.1 Å²	66.1	12%	0.117	35%	0.346	C	S	.	.	H	α-helix	trans	-59.1	-39.4	175.1	-166.8	63.5	166.3	-157.4	0	112.2	M228 H229 D263 Y264 R265 L270 M271 C272	M228-K268 HydrophobicContact CE-CB 4.45Å; H229-K268 PolarHBondContact O-NZ 2.89Å; D263-K268 HydrophobicContact CB-CD 4.31Å; D263-K268 IonicContact OD1-NZ 2.66Å; D263-K268 PolarHBondContact OD1-NZ 2.95Å; Y264-K268 PolarHBondContact O-N 3.1Å; R265-K268 PolarHBondContact O-N 2.8Å; K268-L270 VanDerWaalsContact C-N 3.31Å; K268-L270 PolarHBondContact O-N 2.67Å; K268-M271 HydrophobicContact CD-SD 4.28Å; K268-M271 PolarHBondContact O-N 3Å; K268-C272 WeakPolarHBondContact O-CB 3.38Å; K268-C272 PolarHBondContact O-N 2.78Å; K268-C272 PolarHBondContact O-SG 3.05Å
269	F	96.7	Very high	96.7	Very high	97 Å²	97	68 Å²	68	43%	0.425	36%	0.364	S	S	.	.	H	α-helix	trans	-61.8	-37.5	173.6	-71.3	-35.3	0	0	0	113	R265 V267 C272 M283	R265-F269 HydrophobicContact CG-CD2 4.06Å; R265-F269 HydrophobicContact CG-CE1 4.24Å; R265-F269 HydrophobicContact CG-CE2 3.51Å; R265-F269 HydrophobicContact CG-CZ 3.61Å; R265-F269 WeakPolarHBondContact O-CD2 3.42Å; R265-F269 WeakPolarHBondContact O-CG 3.33Å; R265-F269 PolarHBondContact O-N 3.09Å; V267-F269 VanDerWaalsContact C-N 3.28Å; V267-F269 PolarHBondContact O-N 2.89Å; F269-C272 PolarHBondContact O-N 3.21Å; F269-M283 HydrophobicContact CD1-CE 4.42Å; F269-M283 HydrophobicContact CD1-SD 4.17Å; F269-M283 HydrophobicContact CE1-CE 3.64Å; F269-M283 HydrophobicContact CE1-SD 3.43Å; F269-M283 WeakPolarHBondContact CE1-SD 3.43Å; F269-M283 HydrophobicContact CZ-CE 3.82Å; F269-M283 HydrophobicContact CZ-SD 4.14Å
270	L	97.5	Very high	96.3	Very high	46 Å²	46	71 Å²	71	24%	0.241	38%	0.377	C	S	.	.	H	α-helix	trans	-65.3	-45.4	173.6	178.4	61.4	0	0	0	111.2	L116 F120 P266 V267 K268 C272 V273	L116-L270 HydrophobicContact CD1-CD2 4.11Å; L116-L270 HydrophobicContact CD1-CG 4.44Å; F120-L270 HydrophobicContact CB-CD2 3.84Å; F120-L270 HydrophobicContact CD2-CD2 4.2Å; P266-L270 PolarHBondContact O-N 3.25Å; V267-L270 WeakPolarHBondContact O-CA 3.34Å; V267-L270 WeakPolarHBondContact O-CB 3.27Å; V267-L270 PolarHBondContact O-N 3.01Å; K268-L270 VanDerWaalsContact C-N 3.31Å; K268-L270 PolarHBondContact O-N 2.67Å; L270-C272 PolarHBondContact O-N 2.99Å; L270-V273 HydrophobicContact CD1-CG2 4.5Å; L270-V273 VanDerWaalsContact O-CB 3.3Å; L270-V273 WeakPolarHBondContact O-CB 3.24Å; L270-V273 VanDerWaalsContact O-CG2 3.32Å; L270-V273 WeakPolarHBondContact O-CG2 3.41Å; L270-V273 PolarHBondContact O-N 3.25Å; L270-V273 VanDerWaalsContact O-N 3.13Å
271	M	97.2	Very high	96.1	Very high	17 Å²	17	70 Å²	70	8%	0.084	37%	0.37	C	S	.	.	H	α-helix	trans	-59.3	-38	175.7	-61.3	173	78.4	0	0	111.5	L116 M228 H229 V231 V267 K268 V273 D274 H275	L116-M271 HydrophobicContact CD1-CG 3.76Å; L116-M271 HydrophobicContact CD2-CE 4.39Å; L116-M271 HydrophobicContact CD2-CG 4.06Å; L116-M271 HydrophobicContact CD2-SD 3.92Å; M228-M271 HydrophobicContact CB-SD 4.46Å; M228-M271 HydrophobicContact CE-SD 3.79Å; H229-M271 WeakPolarHBondContact O-CE 3.42Å; V231-M271 HydrophobicContact CG2-CB 4.08Å; V267-M271 HydrophobicContact CG1-SD 4.48Å; V267-M271 WeakPolarHBondContact O-CG 3.16Å; V267-M271 PolarHBondContact O-N 3.12Å; K268-M271 HydrophobicContact CD-SD 4.28Å; K268-M271 PolarHBondContact O-N 3Å; M271-V273 PolarHBondContact O-N 3.34Å; M271-V273 VanDerWaalsContact O-N 3.17Å; M271-D274 PolarHBondContact O-N 2.83Å; M271-H275 PolarHBondContact O-CD2 3.19Å
272	C	97	Very high	95.5	Very high	16 Å²	16	71.1 Å²	71.1	11%	0.108	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-67.8	-10.9	179.1	-73.8	0	0	0	0	115.1	K268 F269 L270 D274 H275 S276 C281	K268-C272 WeakPolarHBondContact O-CB 3.38Å; K268-C272 PolarHBondContact O-N 2.78Å; K268-C272 PolarHBondContact O-SG 3.05Å; F269-C272 PolarHBondContact O-N 3.21Å; L270-C272 PolarHBondContact O-N 2.99Å; C272-D274 PolarHBondContact O-N 3.16Å; C272-H275 CarbonylContact O-C 3.59Å; C272-H275 PolarHBondContact O-N 2.9Å; C272-H275 VanDerWaalsContact O-N 3.12Å; C272-S276 PolarHBondContact O-N 3.14Å; C272-S276 VanDerWaalsContact O-N 3.12Å; C272-C281 WeakPolarHBondContact CA-SG 3.39Å; C272-C281 HydrophobicContact CB-CB 3.52Å; C272-C281 WeakPolarHBondContact CB-SG 3.42Å; C272-C281 WeakPolarHBondContact SG-CA 3.35Å; C272-C281 WeakPolarHBondContact SG-CB 3.46Å; C272-C281 CovalentContact SG-SG 2.04Å; C272-C281 PolarHBondContact SG-SG 3.2Å
273	V	96.3	Very high	94.6	Very high	101 Å²	101	74.2 Å²	74.2	61%	0.612	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-58.1	-39	175.3	173.7	0	0	0	0	111	L270 M271	L270-V273 HydrophobicContact CD1-CG2 4.5Å; L270-V273 VanDerWaalsContact O-CB 3.3Å; L270-V273 WeakPolarHBondContact O-CB 3.24Å; L270-V273 VanDerWaalsContact O-CG2 3.32Å; L270-V273 WeakPolarHBondContact O-CG2 3.41Å; L270-V273 PolarHBondContact O-N 3.25Å; L270-V273 VanDerWaalsContact O-N 3.13Å; M271-V273 PolarHBondContact O-N 3.34Å; M271-V273 VanDerWaalsContact O-N 3.17Å
274	D	94.9	Very high	93.2	Very high	139 Å²	139	79 Å²	79	74%	0.743	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-90.1	-3.7	179.7	-62.6	-45.8	0	0	0	113.3	M271 C272	M271-D274 PolarHBondContact O-N 2.83Å; C272-D274 PolarHBondContact O-N 3.16Å
275	H	95.3	Very high	91.1	Very high	76 Å²	76	80.9 Å²	80.9	35%	0.352	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-132.4	34.2	-174.4	-60	-82	0	0	0	112.9	V231 M271 C272 T277 H278 C281	V231-H275 HydrophobicContact CB-CB 4.06Å; V231-H275 HydrophobicContact CG1-CB 3.63Å; V231-H275 HydrophobicContact CG2-CB 4.35Å; M271-H275 PolarHBondContact O-CD2 3.19Å; C272-H275 CarbonylContact O-C 3.59Å; C272-H275 PolarHBondContact O-N 2.9Å; C272-H275 VanDerWaalsContact O-N 3.12Å; H275-T277 PolarHBondContact O-N 2.98Å; H275-H278 HydrophobicContact CB-CB 4.05Å; H275-H278 VanDerWaalsContact O-CB 3.28Å; H275-H278 WeakPolarHBondContact O-CB 3.48Å; H275-H278 PolarHBondContact O-N 2.96Å; H275-C281 VanDerWaalsContact O-CB 3.24Å; H275-C281 WeakPolarHBondContact O-CB 3.45Å
276	S	93.1	Very high	88.9	Confident	87 Å²	87	77.2 Å²	77.2	61%	0.608	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-25.5	-170.2	60.8	0	0	0	0	116.4	C272	C272-S276 PolarHBondContact O-N 3.14Å; C272-S276 VanDerWaalsContact O-N 3.12Å
277	T	93.6	Very high	86.4	Confident	130 Å²	130	79.2 Å²	79.2	80%	0.798	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-5.4	178.9	57.8	0	0	0	0	113.7	H275	H275-T277 PolarHBondContact O-N 2.98Å
278	H	94.9	Very high	83.8	Confident	55 Å²	55	83.5 Å²	83.5	26%	0.255	50%	0.5	S	S	.	.	S	Bend	trans	-68.4	139.3	178.3	-168.2	-89	0	0	0	110.1	V231 G232 H275 D280 C281 V282	V231-H278 HydrophobicContact CG1-CB 3.74Å; V231-H278 VanDerWaalsContact CG1-CG 3.44Å; V231-H278 WeakPolarHBondContact CG1-ND1 3.34Å; G232-H278 WeakPolarHBondContact CA-NE2 2.99Å; H275-H278 HydrophobicContact CB-CB 4.05Å; H275-H278 VanDerWaalsContact O-CB 3.28Å; H275-H278 WeakPolarHBondContact O-CB 3.48Å; H275-H278 PolarHBondContact O-N 2.96Å; H278-D280 VanDerWaalsContact CE1-CG 3.5Å; H278-D280 IonicContact CE1-OD1 3.93Å; H278-D280 IonicContact CE1-OD2 3.14Å; H278-D280 PolarHBondContact CE1-OD2 3.14Å; H278-D280 PolarHBondContact ND1-N 2.84Å; H278-D280 IonicContact ND1-OD2 3.4Å; H278-D280 PolarHBondContact ND1-OD2 2.97Å; H278-D280 PolarHBondContact O-N 2.76Å; H278-D280 VanDerWaalsContact O-N 3.13Å; H278-C281 HydrophobicContact CB-CB 4.44Å; H278-C281 CarbonylContact O-C 3.55Å; H278-C281 WeakPolarHBondContact O-CA 3.3Å; H278-C281 WeakPolarHBondContact O-CB 3.27Å; H278-C281 PolarHBondContact O-N 3.02Å; H278-V282 WeakPolarHBondContact O-CG2 3.28Å; H278-V282 PolarHBondContact O-N 3.13Å
279	P	92.8	Very high	81.1	Confident	99 Å²	99	87 Å²	87	64%	0.643	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-51	-39.6	-177.8	-30.2	36.3	0	0	0	114.5	C281 V282	P279-C281 PolarHBondContact O-N 3.06Å; P279-C281 VanDerWaalsContact O-N 3.16Å; P279-V282 PolarHBondContact O-N 3.47Å
280	D	89.9	Confident	78.4	Confident	99 Å²	99	88.4 Å²	88.4	53%	0.529	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-65.6	-15	177.8	-56.6	-15.4	0	0	0	114.1	V231 H278	V231-D280 HydrophobicContact CG1-CB 4.46Å; H278-D280 VanDerWaalsContact CE1-CG 3.5Å; H278-D280 IonicContact CE1-OD1 3.93Å; H278-D280 IonicContact CE1-OD2 3.14Å; H278-D280 PolarHBondContact CE1-OD2 3.14Å; H278-D280 PolarHBondContact ND1-N 2.84Å; H278-D280 IonicContact ND1-OD2 3.4Å; H278-D280 PolarHBondContact ND1-OD2 2.97Å; H278-D280 PolarHBondContact O-N 2.76Å; H278-D280 VanDerWaalsContact O-N 3.13Å
281	C	93.9	Very high	75.8	Confident	12 Å²	12	94.4 Å²	94.4	8%	0.081	57%	0.572	C	S	.	*	G	3₁₀ helix	trans	-115.3	-0.8	-175.2	-68.5	0	0	0	0	113.2	C272 H275 H278 P279 M283	C272-C281 WeakPolarHBondContact CA-SG 3.39Å; C272-C281 HydrophobicContact CB-CB 3.52Å; C272-C281 WeakPolarHBondContact CB-SG 3.42Å; C272-C281 WeakPolarHBondContact SG-CA 3.35Å; C272-C281 WeakPolarHBondContact SG-CB 3.46Å; C272-C281 CovalentContact SG-SG 2.04Å; C272-C281 PolarHBondContact SG-SG 3.2Å; H275-C281 VanDerWaalsContact O-CB 3.24Å; H275-C281 WeakPolarHBondContact O-CB 3.45Å; H278-C281 HydrophobicContact CB-CB 4.44Å; H278-C281 CarbonylContact O-C 3.55Å; H278-C281 WeakPolarHBondContact O-CA 3.3Å; H278-C281 WeakPolarHBondContact O-CB 3.27Å; H278-C281 PolarHBondContact O-N 3.02Å; P279-C281 PolarHBondContact O-N 3.06Å; P279-C281 VanDerWaalsContact O-N 3.16Å; C281-M283 PolarHBondContact O-N 3.3Å
282	V	87.5	Confident	73.1	Confident	81 Å²	81	104.3 Å²	104.3	49%	0.491	61%	0.608	S	S	.	*			trans	-70.2	107.7	176.3	178.7	0	0	0	0	108.9	H278 P279 N284	H278-V282 WeakPolarHBondContact O-CG2 3.28Å; H278-V282 PolarHBondContact O-N 3.13Å; P279-V282 PolarHBondContact O-N 3.47Å; V282-N284 PolarHBondContact O-N 3.47Å; V282-N284 VanDerWaalsContact O-N 3.14Å
283	M	79	Confident	70.3	Confident	133 Å²	133	112.6 Å²	112.6	66%	0.655	65%	0.646	S	S	*	*			trans	-71.3	107.3	170.7	-66.2	-67.8	-89.6	0	0	108.2	F269 C281 S285	F269-M283 HydrophobicContact CD1-CE 4.42Å; F269-M283 HydrophobicContact CD1-SD 4.17Å; F269-M283 HydrophobicContact CE1-CE 3.64Å; F269-M283 HydrophobicContact CE1-SD 3.43Å; F269-M283 WeakPolarHBondContact CE1-SD 3.43Å; F269-M283 HydrophobicContact CZ-CE 3.82Å; F269-M283 HydrophobicContact CZ-SD 4.14Å; C281-M283 PolarHBondContact O-N 3.3Å; M283-S285 PolarHBondContact O-N 3.23Å
284	N	68.3	Low	67.4	Low	148 Å²	148	112.9 Å²	112.9	79%	0.791	65%	0.652	S	S	*	*			trans	-56.8	114.1	169.8	-75.9	-27.4	0	0	0	108.2	V282 A286	V282-N284 PolarHBondContact O-N 3.47Å; V282-N284 VanDerWaalsContact O-N 3.14Å; N284-A286 PolarHBondContact O-N 3.45Å
285	S	55.1	Low	64.7	Low	105 Å²	105	111.6 Å²	111.6	73%	0.734	65%	0.651	S	S	*	*			trans	-69.1	77	170.9	48.9	0	0	0	0	108.9	M283 S287	M283-S285 PolarHBondContact O-N 3.23Å; S285-S287 PolarHBondContact O-N 3.28Å
286	A	50.3	Low	61.7	Low	103 Å²	103	112.6 Å²	112.6	85%	0.851	67%	0.667	S	S	*	*			trans	-73.3	53.3	163.9	0	0	0	0	0	110	N284	N284-A286 PolarHBondContact O-N 3.45Å
287	S	45.6	Very low	58.9	Low	92 Å²	92	115.5 Å²	115.5	64%	0.643	67%	0.674	S	S	*	*			trans	-104.9	85.8	152.7	49.4	0	0	0	0	105	S285 S289	S285-S287 PolarHBondContact O-N 3.28Å; S287-S289 VanDerWaalsContact C-N 3.25Å; S287-S289 PolarHBondContact O-N 3.47Å
288	A	43.4	Very low	56	Low	90 Å²	90	118.6 Å²	118.6	74%	0.744	68%	0.677	S	S	*	*			trans	-51.9	102.2	157.7	0	0	0	0	0	106.3	T290	A288-T290 PolarHBondContact O-N 3.44Å
289	S	40.9	Very low	53.2	Low	102 Å²	102	121.9 Å²	121.9	71%	0.713	70%	0.701	S	S	*	*			trans	-61.3	95.7	161.5	45.3	0	0	0	0	104.9	S287 Q291	S287-S289 VanDerWaalsContact C-N 3.25Å; S287-S289 PolarHBondContact O-N 3.47Å; S289-Q291 PolarHBondContact O-N 3.42Å
290	T	39.4	Very low	50.6	Low	125 Å²	125	121.8 Å²	121.8	77%	0.767	71%	0.709	S	S	*	*			trans	-64.4	81.5	156.5	-52.2	0	0	0	0	104.5	A288 R292	A288-T290 PolarHBondContact O-N 3.44Å; T290-R292 PolarHBondContact O-N 3.08Å
291	Q	43.3	Very low	47.9	Very low	172 Å²	172	124 Å²	124	80%	0.804	73%	0.726	S	S	*	*			trans	-63.3	96.5	157.5	-76.6	-148.4	-11.2	0	0	104.8	S289 E293	S289-Q291 PolarHBondContact O-N 3.42Å; Q291-E293 VanDerWaalsContact C-N 3.29Å; Q291-E293 PolarHBondContact O-N 3.03Å
292	R	40.2	Very low	45.1	Very low	226 Å²	226	132 Å²	132	85%	0.853	76%	0.762	S	S	*	*			trans	-52.9	104.3	153.8	-98.1	176	169.6	161.7	-2.8	105.7	T290 S294	T290-R292 PolarHBondContact O-N 3.08Å; R292-S294 VanDerWaalsContact C-N 3.34Å; R292-S294 PolarHBondContact O-N 3.13Å
293	E	39.6	Very low	42.5	Very low	190 Å²	190	132.8 Å²	132.8	89%	0.888	78%	0.777	S	S	*	*			trans	-54.3	105.9	155.6	-77.8	-179	146.8	0	0	106.7	Q291	Q291-E293 VanDerWaalsContact C-N 3.29Å; Q291-E293 PolarHBondContact O-N 3.03Å
294	S	35.4	Very low	40.4	Very low	107 Å²	107	131.4 Å²	131.4	75%	0.748	78%	0.78	S	S	*	*			trans	-92	115.1	167.1	-154.5	0	0	0	0	105.9	R292 S296	R292-S294 VanDerWaalsContact C-N 3.34Å; R292-S294 PolarHBondContact O-N 3.13Å; S294-S296 PolarHBondContact O-N 3.14Å; S294-S296 VanDerWaalsContact O-N 3.14Å
295	P	37.3	Very low	39	Very low	111 Å²	111	132.6 Å²	132.6	72%	0.721	79%	0.786	S	S	*	*			trans	-73.2	111.4	179.7	20.5	-16.9	0	0	0	108.7	L297	P295-L297 PolarHBondContact O-N 3.3Å
296	S	31.8	Very low	38.2	Very low	98 Å²	98	134.8 Å²	134.8	69%	0.685	79%	0.787	S	S	*	*			trans	-73.8	89.8	170.7	62.6	0	0	0	0	109.6	S294 F298	S294-S296 PolarHBondContact O-N 3.14Å; S294-S296 VanDerWaalsContact O-N 3.14Å; S296-F298 PolarHBondContact O-N 3.4Å; S296-F298 VanDerWaalsContact O-N 3.13Å
297	L	34.1	Very low	37.9	Very low	147 Å²	147	137.3 Å²	137.3	77%	0.77	79%	0.785	S	S	*	*			trans	-73.7	89.9	162.6	-92.5	153.1	0	0	0	108.6	P295 T299	P295-L297 PolarHBondContact O-N 3.3Å; L297-T299 PolarHBondContact O-N 3.45Å
298	F	33.7	Very low	37.4	Very low	196 Å²	196	138 Å²	138	86%	0.86	79%	0.79	S	S	*	*			trans	-69.5	96.8	159.9	-86.1	-85.3	0	0	0	108.2	S296	S296-F298 PolarHBondContact O-N 3.4Å; S296-F298 VanDerWaalsContact O-N 3.13Å
299	T	35	Very low	37.1	Very low	123 Å²	123	141.4 Å²	141.4	76%	0.755	80%	0.795	S	S	*	*			trans	-98.5	111.5	159	37.8	0	0	0	0	107.7	L297	L297-T299 PolarHBondContact O-N 3.45Å
300	A	38.2	Very low	36.9	Very low	98 Å²	98	145.1 Å²	145.1	81%	0.81	81%	0.805	S	S	*	*			trans	-76.6	117	169	0	0	0	0	0	109
301	V	34.3	Very low	36.9	Very low	144 Å²	144	145 Å²	145	87%	0.873	81%	0.805	S	S	*	*			trans	-150.6	125.5	145.9	-178.5	0	0	0	0	109.8
302	H	33.8	Very low	36.5	Very low	181 Å²	181	140.5 Å²	140.5	84%	0.838	80%	0.796	S	S	*	*			trans	-35.3	142.6	167.9	-92.9	-112.2	0	0	0	117.7
303	A	34.3	Very low	36.3	Very low	98 Å²	98	137 Å²	137	81%	0.81	79%	0.794	S	S	*	*				-164.7	109.9	128.9	0	0	0	0	0	112.2
304	S	35.1	Very low	36.1	Very low	103 Å²	103	133.4 Å²	133.4	72%	0.72	79%	0.785	S	S	*	*			trans	6.9	128.1	148.9	-46.4	0	0	0	0	120.4
305	L	37.5	Very low	36.1	Very low	174 Å²	174	133.2 Å²	133.2	91%	0.911	78%	0.784	S	S	*	*			trans	-156.4	105.9	136.1	-103.9	152.2	0	0	0	109.7
306	I	38.9	Very low	36	Very low	151 Å²	151	133.3 Å²	133.3	77%	0.774	79%	0.787	S	S	*	*			trans	-75.5	126	176.6	-67.7	173.7	0	0	0	108
307	I	43.1	Very low	36.1	Very low	156 Å²	156	134.1 Å²	134.1	80%	0.8	79%	0.793	S	S	*	*			trans	-107.5	115	165.5	-65.3	176.3	0	0	0	107.9
308	S	36.8	Very low	36.2	Very low	107 Å²	107	136.3 Å²	136.3	75%	0.748	80%	0.799	S	S	*	*			trans	-66.1	132.3	-178	-52.4	0	0	0	0	112.7
309	L	35.8	Very low	36.3	Very low	160 Å²	160	137.3 Å²	137.3	84%	0.838	82%	0.821	S	S	*	*			trans	-111	125.4	156.3	-112.5	97.2	0	0	0	107.5
310	L	37.8	Very low	36.4	Very low	180 Å²	180	138.1 Å²	138.1	94%	0.942	82%	0.824	S	S	*	*			trans	-158.6	146.5	151.6	-106.1	160.2	0	0	0	110.9
311	V	37.8	Very low	36.3	Very low	124 Å²	124	140.2 Å²	140.2	75%	0.752	83%	0.825	S	S	*	*			trans	-94.5	139.5	-153.4	165.7	0	0	0	0	112.4
312	A	37	Very low	36.4	Very low	76 Å²	76	139.9 Å²	139.9	63%	0.628	82%	0.822	S	S	*	*			trans	13.9	142.7	143.4	0	0	0	0	0	123.3
313	L	34.6	Very low	36.5	Very low	153 Å²	153	137.5 Å²	137.5	80%	0.801	82%	0.821	S	S	*	*			trans	103.1	119.6	137.8	-69.7	156.8	0	0	0	121.2
314	T	36	Very low	36.7	Very low	115 Å²	115	140 Å²	140	71%	0.706	82%	0.822	S	S	*	*			trans	77.4	101.8	135.8	56.4	0	0	0	0	121.7
315	S	35.7	Very low	36.8	Very low	103 Å²	103	142.5 Å²	142.5	72%	0.72	83%	0.829	S	S	*	*				10.6	137.1	122.7	60.9	0	0	0	0	121.5
316	S	33.9	Very low	36.7	Very low	113 Å²	113	140.2 Å²	140.2	79%	0.79	82%	0.823	S	S	*	*			trans	132.2	135.9	138.1	63.5	0	0	0	0	110.4
317	S	34.7	Very low	36.5	Very low	115 Å²	115	139.4 Å²	139.4	80%	0.804	83%	0.827	S	S	*	*			cis	-163	159.7	-8	-85.8	0	0	0	0	106.7
318	Q	35.8	Very low	36	Very low	193 Å²	193	138 Å²	138	90%	0.902	83%	0.829	S	S	*	*			trans	-51.9	132.4	166.3	-65.4	162.9	-40.4	0	0	111.9
319	V	36	Very low	35.9	Very low	217 Å²	217	140.8 Å²	140.8	100%	1.315	84%	0.836	S	S	*	*				-157	0	112.7	174	0	0	0	0	107.1

Retrieved 319 of 319 residues in 220.2 ms (Link to these results)

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