A0A077Z985_TRITR Loading...

Calcium independent phospholipase A2 gamma

AlphaFold DB , UniProt , Accession A0A077Z985, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 449 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	33.9	Very low	30.9	Very low	237 Å²	237	153.4 Å²	153.4	100%	1.167	83%	0.826	S	S	*	*				0	36.8	0	-150.3	-175.8	-77.8	0	0	111.1
2	L	33.4	Very low	30.9	Very low	135 Å²	135	149.2 Å²	149.2	71%	0.707	82%	0.818	S	S	*	*			trans	-125.4	3.7	-170.5	-76	166.4	0	0	0	114.5
3	N	28	Very low	30.7	Very low	153 Å²	153	152.7 Å²	152.7	82%	0.818	83%	0.825	S	S	*	*	S	Bend	trans	-94.5	11.1	-177	-76.8	2.5	0	0	0	114.7
4	S	31	Very low	30.7	Very low	116 Å²	116	154 Å²	154	81%	0.811	82%	0.823	S	S	*	*	S	Bend	trans	-108.6	12.9	-174.9	109.2	0	0	0	0	116
5	I	35.1	Very low	30.6	Very low	151 Å²	151	150.9 Å²	150.9	77%	0.774	82%	0.818	S	S	*	*	S	Bend	trans	-111.2	22.9	177.7	-42.7	-179.3	0	0	0	111.4
6	W	29.2	Very low	30.6	Very low	222 Å²	222	149.8 Å²	149.8	84%	0.841	82%	0.818	S	S	*	*			trans	-115.1	81.2	179.3	-62	97.5	0	0	0	110.7
7	S	27.1	Very low	30.5	Very low	108 Å²	108	146.8 Å²	146.8	76%	0.755	81%	0.806	S	S	*	*			trans	-150.9	87.5	163.4	63	0	0	0	0	110.8
8	S	33.1	Very low	30.6	Very low	116 Å²	116	147.1 Å²	147.1	81%	0.811	81%	0.812	S	S	*	*			trans	160.7	77.6	153	45.1	0	0	0	0	107.3
9	E	28.5	Very low	30.8	Very low	167 Å²	167	146.5 Å²	146.5	78%	0.78	81%	0.807	S	S	*	*				66.1	114.5	100.3	-85.7	-159.6	127.7	0	0	116.3
10	K	30.6	Very low	30.7	Very low	180 Å²	180	150.8 Å²	150.8	78%	0.783	81%	0.811	S	S	*	*			trans	79.3	83.5	149.7	-64.5	-179.7	-176.7	171	0	117.9	S12	K10-S12 PolarHBondContact O-N 3.19Å
11	A	30.3	Very low	30.8	Very low	102 Å²	102	149 Å²	149	84%	0.843	81%	0.808	S	S	*	*			trans	-58.8	116.5	153.9	0	0	0	0	0	110.5
12	S	30.9	Very low	30.9	Very low	103 Å²	103	142.9 Å²	142.9	72%	0.72	79%	0.786	S	S	*	*			trans	-81.2	108.3	159.5	56	0	0	0	0	108.2	K10 Q14	K10-S12 PolarHBondContact O-N 3.19Å; S12-Q14 PolarHBondContact O-N 3.05Å; S12-Q14 VanDerWaalsContact O-N 3.14Å
13	E	27.3	Very low	31.4	Very low	195 Å²	195	140.9 Å²	140.9	91%	0.911	79%	0.789	S	S	*	*			trans	-64.5	105.9	168.2	-73.9	176.4	156.1	0	0	109.3
14	Q	30.9	Very low	32.5	Very low	171 Å²	171	145.5 Å²	145.5	80%	0.799	80%	0.795	S	S	*	*			trans	-109.2	108.1	162.1	-77.5	-173.5	-4.2	0	0	108.5	S12 T16	S12-Q14 PolarHBondContact O-N 3.05Å; S12-Q14 VanDerWaalsContact O-N 3.14Å; Q14-T16 PolarHBondContact O-N 2.92Å
15	S	29.2	Very low	33.7	Very low	107 Å²	107	147.4 Å²	147.4	75%	0.748	80%	0.795	S	S	*	*			trans	-51.7	119.2	170.7	174.6	0	0	0	0	110.7	T17	S15-T17 PolarHBondContact O-N 2.96Å; S15-T17 VanDerWaalsContact O-N 3.11Å
16	T	30.6	Very low	35.3	Very low	133 Å²	133	144.8 Å²	144.8	82%	0.816	80%	0.795	S	S	*	*			trans	-80.1	83.1	177	47	0	0	0	0	110.3	Q14	Q14-T16 PolarHBondContact O-N 2.92Å
17	T	29.8	Very low	37.6	Very low	100 Å²	100	141.8 Å²	141.8	61%	0.613	80%	0.795	S	S	*	*			trans	-72.7	123.3	160.5	47.8	0	0	0	0	109	S15 N19	S15-T17 PolarHBondContact O-N 2.96Å; S15-T17 VanDerWaalsContact O-N 3.11Å; T17-N19 VanDerWaalsContact C-N 3.3Å; T17-N19 PolarHBondContact O-N 3.16Å
18	V	31.7	Very low	40.2	Very low	151 Å²	151	138.6 Å²	138.6	92%	0.915	77%	0.772	S	S	*	*			trans	-62.6	86	177.3	-178.9	0	0	0	0	109.5
19	N	33.8	Very low	42.9	Very low	136 Å²	136	137.2 Å²	137.2	73%	0.727	76%	0.759	S	S	*	*			trans	-76.2	125.9	174.6	-85.6	-34.2	0	0	0	109.4	T17	T17-N19 VanDerWaalsContact C-N 3.3Å; T17-N19 PolarHBondContact O-N 3.16Å
20	R	28.7	Very low	45.9	Very low	232 Å²	232	138.5 Å²	138.5	88%	0.875	76%	0.756	S	S	*	*			trans	-45.8	141.3	164.9	-86.2	179.3	171.3	176	-2.5	109.5
21	P	34.2	Very low	48.9	Very low	115 Å²	115	133.3 Å²	133.3	75%	0.747	75%	0.747	S	S	*	*			trans	-58.2	128.3	-174.1	23.5	-31.6	0	0	0	108.8	A23	P21-A23 PolarHBondContact O-N 3.41Å
22	P	36	Very low	52	Low	108 Å²	108	130.6 Å²	130.6	70%	0.701	72%	0.72	S	S	*	*			trans	-56.2	145.2	177.6	23.2	-31.1	0	0	0	108.6	R24	P22-R24 PolarHBondContact O-N 3.02Å; P22-R24 VanDerWaalsContact O-N 3.08Å
23	A	43.7	Very low	55	Low	93 Å²	93	126.4 Å²	126.4	77%	0.769	69%	0.689	S	S	*	*			trans	-41.4	122.8	171.7	0	0	0	0	0	108.4	P21 L25	P21-A23 PolarHBondContact O-N 3.41Å; A23-L25 VanDerWaalsContact C-N 3.35Å; A23-L25 PolarHBondContact O-N 2.99Å
24	R	49.7	Very low	58.3	Low	250 Å²	250	119.2 Å²	119.2	94%	0.943	66%	0.659	S	S	*	*			trans	-45.7	101.8	-177.2	-90.6	-179.1	173	175.7	-2.7	107.9	P22 A26	P22-R24 PolarHBondContact O-N 3.02Å; P22-R24 VanDerWaalsContact O-N 3.08Å; R24-A26 PolarHBondContact O-N 3.43Å; R24-A26 VanDerWaalsContact O-N 3.1Å
25	L	56.3	Low	61.5	Low	155 Å²	155	117.6 Å²	117.6	81%	0.812	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-52.2	123.3	170.4	-85.7	154.3	0	0	0	105.2	A23 L27	A23-L25 VanDerWaalsContact C-N 3.35Å; A23-L25 PolarHBondContact O-N 2.99Å; L25-L27 PolarHBondContact O-N 3.23Å
26	A	69.6	Low	64.7	Low	96 Å²	96	118.5 Å²	118.5	79%	0.793	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-51.2	122.1	-179.4	0	0	0	0	0	108	R24	R24-A26 PolarHBondContact O-N 3.43Å; R24-A26 VanDerWaalsContact O-N 3.1Å
27	L	76.6	Confident	67.9	Low	160 Å²	160	112.2 Å²	112.2	84%	0.838	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-55.5	131.3	177.9	-73.2	170.2	0	0	0	107.6	L25 T29	L25-L27 PolarHBondContact O-N 3.23Å; L27-T29 PolarHBondContact O-N 3.14Å
28	P	83.3	Confident	71.1	Confident	41 Å²	41	110.8 Å²	110.8	27%	0.266	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-58.2	141.2	-177.8	23.2	-31.1	0	0	0	109.4	V32 I33	P28-V32 HydrophobicContact CB-CB 4.14Å; P28-V32 HydrophobicContact CB-CG1 3.88Å; P28-I33 HydrophobicContact CB-CG1 4.22Å; P28-I33 HydrophobicContact CG-CD1 4.25Å; P28-I33 HydrophobicContact CG-CG1 4.01Å
29	T	89.7	Confident	74.3	Confident	86 Å²	86	105.3 Å²	105.3	53%	0.528	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-63.6	156.4	176.8	67.7	0	0	0	0	109.8	L27 A31 V32 I33	L27-T29 PolarHBondContact O-N 3.14Å; T29-A31 PolarHBondContact O-N 3.26Å; T29-A31 VanDerWaalsContact O-N 3.15Å; T29-V32 WeakPolarHBondContact O-CB 3.21Å; T29-V32 PolarHBondContact O-N 3.47Å; T29-V32 WeakPolarHBondContact OG1-CG2 3.41Å; T29-V32 PolarHBondContact OG1-N 3.06Å; T29-I33 PolarHBondContact O-N 3.06Å
30	R	91.5	Very high	77.3	Confident	195 Å²	195	98.9 Å²	98.9	74%	0.736	52%	0.524	S	S	*	.	H	α-helix	trans	-51.3	-40.2	174.1	-173	177.8	179.5	-176.1	0.9	111.5	V32 I33 V34	R30-V32 PolarHBondContact O-N 3.3Å; R30-I33 PolarHBondContact O-N 3.34Å; R30-V34 VanDerWaalsContact O-CG2 3.32Å; R30-V34 WeakPolarHBondContact O-CG2 3.36Å; R30-V34 PolarHBondContact O-N 3.13Å
31	A	93.7	Very high	80.6	Confident	71 Å²	71	88.4 Å²	88.4	59%	0.587	49%	0.486	S	S	*	.	H	α-helix	trans	-59	-44.6	177.2	0	0	0	0	0	112.5	T29 I33 V34 E35	T29-A31 PolarHBondContact O-N 3.26Å; T29-A31 VanDerWaalsContact O-N 3.15Å; A31-I33 PolarHBondContact O-N 3.23Å; A31-V34 PolarHBondContact O-N 3.09Å; A31-E35 PolarHBondContact O-N 3.23Å
32	V	94.7	Very high	83.7	Confident	44 Å²	44	89.7 Å²	89.7	27%	0.267	48%	0.482	S	S	.	.	H	α-helix	trans	-64.2	-40	176.7	172.6	0	0	0	0	111.3	P28 T29 R30 V34 E35 R36	P28-V32 HydrophobicContact CB-CB 4.14Å; P28-V32 HydrophobicContact CB-CG1 3.88Å; T29-V32 WeakPolarHBondContact O-CB 3.21Å; T29-V32 PolarHBondContact O-N 3.47Å; T29-V32 WeakPolarHBondContact OG1-CG2 3.41Å; T29-V32 PolarHBondContact OG1-N 3.06Å; R30-V32 PolarHBondContact O-N 3.3Å; V32-V34 VanDerWaalsContact C-N 3.34Å; V32-E35 PolarHBondContact O-N 3.34Å; V32-R36 HydrophobicContact CG1-CG 4.44Å; V32-R36 WeakPolarHBondContact O-CB 3.21Å; V32-R36 VanDerWaalsContact O-CG 3.27Å; V32-R36 WeakPolarHBondContact O-CG 3.35Å; V32-R36 PolarHBondContact O-N 3.26Å
33	I	94.5	Very high	86.6	Confident	16 Å²	16	90.7 Å²	90.7	8%	0.082	47%	0.471	C	S	.	.	H	α-helix	trans	-64.4	-41.5	176.5	-63.6	159.7	0	0	0	110.5	P28 T29 R30 A31 S37 H67 E69 A70	P28-I33 HydrophobicContact CB-CG1 4.22Å; P28-I33 HydrophobicContact CG-CD1 4.25Å; P28-I33 HydrophobicContact CG-CG1 4.01Å; T29-I33 PolarHBondContact O-N 3.06Å; R30-I33 PolarHBondContact O-N 3.34Å; A31-I33 PolarHBondContact O-N 3.23Å; I33-S37 WeakPolarHBondContact O-CB 3.44Å; I33-S37 PolarHBondContact O-N 3.09Å; I33-S37 PolarHBondContact O-OG 2.77Å; I33-H67 HydrophobicContact CG2-CB 3.99Å; I33-E69 VanDerWaalsContact CD1-OE1 3.3Å; I33-E69 WeakPolarHBondContact CD1-OE1 3.3Å; I33-A70 HydrophobicContact CG2-CB 4.33Å
34	V	96.8	Very high	89.2	Confident	44 Å²	44	86.3 Å²	86.3	27%	0.267	44%	0.435	S	S	.	.	H	α-helix	trans	-61.6	-50.3	175.7	175.3	0	0	0	0	111.1	R30 A31 V32 R36 S37 L38 L73	R30-V34 VanDerWaalsContact O-CG2 3.32Å; R30-V34 WeakPolarHBondContact O-CG2 3.36Å; R30-V34 PolarHBondContact O-N 3.13Å; A31-V34 PolarHBondContact O-N 3.09Å; V32-V34 VanDerWaalsContact C-N 3.34Å; V34-R36 PolarHBondContact O-N 3.02Å; V34-S37 WeakPolarHBondContact O-CB 3.1Å; V34-S37 PolarHBondContact O-N 3.05Å; V34-S37 VanDerWaalsContact O-N 3.17Å; V34-L38 HydrophobicContact CG1-CD1 4.01Å; V34-L38 HydrophobicContact CG1-CG 4.33Å; V34-L38 WeakPolarHBondContact O-CG 3.29Å; V34-L38 PolarHBondContact O-N 2.93Å; V34-L73 HydrophobicContact CB-CD1 4.38Å; V34-L73 HydrophobicContact CG1-CD1 4.41Å; V34-L73 HydrophobicContact CG1-CD2 4.24Å; V34-L73 HydrophobicContact CG2-CD1 4.1Å; V34-L73 HydrophobicContact CG2-CD2 3.78Å
35	E	97.1	Very high	91.5	Very high	137 Å²	137	80 Å²	80	64%	0.64	42%	0.42	S	S	*	.	H	α-helix	trans	-56.4	-49.4	178.7	-175.9	-174.6	-177.5	0	0	111.6	A31 V32 S37 L38 A39	A31-E35 PolarHBondContact O-N 3.23Å; V32-E35 PolarHBondContact O-N 3.34Å; E35-S37 VanDerWaalsContact C-N 3.33Å; E35-S37 PolarHBondContact O-N 3.42Å; E35-L38 PolarHBondContact O-N 2.86Å; E35-A39 PolarHBondContact O-N 2.67Å
36	R	97.1	Very high	93.5	Very high	126 Å²	126	76 Å²	76	48%	0.475	41%	0.405	S	S	.	.	H	α-helix	trans	-60.2	-42.3	176.6	-71.8	174.9	-179.7	-178.6	0.9	112.1	V32 V34 L38 A39 V40	V32-R36 HydrophobicContact CG1-CG 4.44Å; V32-R36 WeakPolarHBondContact O-CB 3.21Å; V32-R36 VanDerWaalsContact O-CG 3.27Å; V32-R36 WeakPolarHBondContact O-CG 3.35Å; V32-R36 PolarHBondContact O-N 3.26Å; V34-R36 PolarHBondContact O-N 3.02Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-L38 PolarHBondContact O-N 3.29Å; R36-A39 PolarHBondContact O-N 3.49Å; R36-V40 WeakPolarHBondContact O-CG2 3.35Å; R36-V40 PolarHBondContact O-N 3.39Å
37	S	97.4	Very high	94.8	Very high	1 Å²	1	72 Å²	72	1%	0.007	37%	0.372	C	S	.	.	H	α-helix	trans	-62	-41.7	177.6	-55.7	0	0	0	0	111.6	I33 V34 E35 V40 V41 H63 A70 L73	I33-S37 WeakPolarHBondContact O-CB 3.44Å; I33-S37 PolarHBondContact O-N 3.09Å; I33-S37 PolarHBondContact O-OG 2.77Å; V34-S37 WeakPolarHBondContact O-CB 3.1Å; V34-S37 PolarHBondContact O-N 3.05Å; V34-S37 VanDerWaalsContact O-N 3.17Å; E35-S37 VanDerWaalsContact C-N 3.33Å; E35-S37 PolarHBondContact O-N 3.42Å; S37-V40 PolarHBondContact O-N 2.88Å; S37-V41 WeakPolarHBondContact O-CG2 3.24Å; S37-V41 PolarHBondContact O-N 3.21Å; S37-H63 PolarHBondContact OG-NE2 3.36Å; S37-A70 WeakPolarHBondContact OG-CB 3.39Å; S37-L73 WeakPolarHBondContact OG-CD1 3.46Å
38	L	98	Very high	95.7	Very high	69 Å²	69	73.6 Å²	73.6	36%	0.361	37%	0.372	S	S	.	.	H	α-helix	trans	-67.2	-37	177.6	-67.4	176.1	0	0	0	112	V34 E35 R36 V41 Q42 Q75	V34-L38 HydrophobicContact CG1-CD1 4.01Å; V34-L38 HydrophobicContact CG1-CG 4.33Å; V34-L38 WeakPolarHBondContact O-CG 3.29Å; V34-L38 PolarHBondContact O-N 2.93Å; E35-L38 PolarHBondContact O-N 2.86Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-L38 PolarHBondContact O-N 3.29Å; L38-V41 PolarHBondContact O-N 2.75Å; L38-Q42 WeakPolarHBondContact O-CB 3.47Å; L38-Q42 PolarHBondContact O-N 2.91Å; L38-Q75 HydrophobicContact CD2-CB 3.8Å; L38-Q75 HydrophobicContact CD2-CG 3.77Å
39	A	97.9	Very high	96.3	Very high	36 Å²	36	74 Å²	74	30%	0.298	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-41.9	173.9	0	0	0	0	0	112.1	E35 R36 Q42 R43	E35-A39 PolarHBondContact O-N 2.67Å; R36-A39 PolarHBondContact O-N 3.49Å; A39-Q42 PolarHBondContact O-N 2.74Å; A39-R43 WeakPolarHBondContact O-CG 3.44Å; A39-R43 PolarHBondContact O-N 3.45Å
40	V	98	Very high	96.7	Very high	2 Å²	2	74 Å²	74	1%	0.012	37%	0.371	C	S	.	.	H	α-helix	trans	-61.3	-46.3	173.9	172.9	0	0	0	0	110.9	R36 S37 Q42 R43 L44 E59 L60 H63	R36-V40 WeakPolarHBondContact O-CG2 3.35Å; R36-V40 PolarHBondContact O-N 3.39Å; S37-V40 PolarHBondContact O-N 2.88Å; V40-Q42 VanDerWaalsContact C-N 3.33Å; V40-Q42 PolarHBondContact O-N 3.23Å; V40-R43 PolarHBondContact O-N 3.19Å; V40-L44 HydrophobicContact CG1-CD1 4.1Å; V40-L44 WeakPolarHBondContact O-CG 3.47Å; V40-L44 PolarHBondContact O-N 3.33Å; V40-E59 HydrophobicContact CG2-CG 4.01Å; V40-L60 HydrophobicContact CG1-CB 3.91Å; V40-L60 HydrophobicContact CG1-CD1 3.84Å; V40-L60 HydrophobicContact CG1-CG 4.5Å; V40-H63 HydrophobicContact CG2-CB 4.17Å
41	V	98.1	Very high	97	Very high	12 Å²	12	70.7 Å²	70.7	7%	0.073	36%	0.364	C	S	.	.	H	α-helix	trans	-58.4	-45.3	176.3	170.2	0	0	0	0	111.2	S37 L38 R43 L44 L45 L76 V79	S37-V41 WeakPolarHBondContact O-CG2 3.24Å; S37-V41 PolarHBondContact O-N 3.21Å; L38-V41 PolarHBondContact O-N 2.75Å; V41-R43 VanDerWaalsContact C-N 3.33Å; V41-R43 PolarHBondContact O-N 2.94Å; V41-L44 PolarHBondContact O-N 2.91Å; V41-L45 HydrophobicContact CG1-CD1 3.78Å; V41-L45 HydrophobicContact CG1-CG 4.35Å; V41-L45 VanDerWaalsContact O-CG 3.29Å; V41-L45 WeakPolarHBondContact O-CG 3.35Å; V41-L45 PolarHBondContact O-N 3.06Å; V41-L76 HydrophobicContact CG2-CB 4.25Å; V41-L76 HydrophobicContact CG2-CD1 3.66Å; V41-V79 HydrophobicContact CB-CG1 4.41Å; V41-V79 HydrophobicContact CG1-CG1 3.87Å; V41-V79 HydrophobicContact CG2-CG1 4.09Å
42	Q	98.1	Very high	97.2	Very high	142 Å²	142	71.6 Å²	71.6	66%	0.664	36%	0.356	S	S	*	.	H	α-helix	trans	-60.5	-43	178.9	-174.2	177.3	1.1	0	0	111.8	L38 A39 V40 L45 S46	L38-Q42 WeakPolarHBondContact O-CB 3.47Å; L38-Q42 PolarHBondContact O-N 2.91Å; A39-Q42 PolarHBondContact O-N 2.74Å; V40-Q42 VanDerWaalsContact C-N 3.33Å; V40-Q42 PolarHBondContact O-N 3.23Å; Q42-L45 PolarHBondContact O-N 2.85Å; Q42-S46 WeakPolarHBondContact O-CB 3.45Å; Q42-S46 PolarHBondContact O-N 2.87Å; Q42-S46 PolarHBondContact O-OG 3.36Å; Q42-S46 VanDerWaalsContact O-OG 3.1Å
43	R	97.9	Very high	97.4	Very high	128 Å²	128	70.9 Å²	70.9	48%	0.483	35%	0.35	S	S	.	.	H	α-helix	trans	-64.1	-42.4	177.8	-72.3	178.7	-170.4	169.2	12.2	112.6	A39 V40 V41 L45 S46 A47 E59	A39-R43 WeakPolarHBondContact O-CG 3.44Å; A39-R43 PolarHBondContact O-N 3.45Å; V40-R43 PolarHBondContact O-N 3.19Å; V41-R43 VanDerWaalsContact C-N 3.33Å; V41-R43 PolarHBondContact O-N 2.94Å; R43-L45 VanDerWaalsContact C-N 3.32Å; R43-L45 PolarHBondContact O-N 3.42Å; R43-S46 WeakPolarHBondContact CA-OG 3.41Å; R43-S46 PolarHBondContact O-N 2.82Å; R43-S46 PolarHBondContact O-OG 2.63Å; R43-S46 VanDerWaalsContact O-OG 3.12Å; R43-A47 PolarHBondContact O-N 3.36Å; R43-A47 VanDerWaalsContact O-N 3.09Å; R43-E59 WeakPolarHBondContact CD-OE2 3.47Å; R43-E59 IonicContact CZ-OE1 3.53Å; R43-E59 IonicContact CZ-OE2 3.77Å; R43-E59 IonicContact NE-OE2 2.64Å; R43-E59 IonicContact NH1-OE1 3.97Å; R43-E59 PolarHBondContact NH1-OE1 2.97Å; R43-E59 IonicContact NH1-OE2 3.55Å; R43-E59 PolarHBondContact NH1-OE2 3.49Å
44	L	98	Very high	97.5	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-59	-45.5	174.5	-71.7	165	0	0	0	111	V40 V41 S46 L60 V79 L82 L83 W86	V40-L44 HydrophobicContact CG1-CD1 4.1Å; V40-L44 WeakPolarHBondContact O-CG 3.47Å; V40-L44 PolarHBondContact O-N 3.33Å; V41-L44 PolarHBondContact O-N 2.91Å; L44-S46 VanDerWaalsContact C-N 3.34Å; L44-S46 PolarHBondContact O-N 3Å; L44-L60 HydrophobicContact CD1-CB 4.37Å; L44-L60 HydrophobicContact CD1-CD1 4.38Å; L44-L60 HydrophobicContact CD1-CD2 3.97Å; L44-L60 HydrophobicContact CD1-CG 4.47Å; L44-V79 HydrophobicContact CD1-CB 4.36Å; L44-V79 HydrophobicContact CD1-CG1 4.39Å; L44-V79 HydrophobicContact CD1-CG2 3.89Å; L44-L82 HydrophobicContact CB-CD2 4.44Å; L44-L83 HydrophobicContact CD2-CD2 3.97Å; L44-W86 HydrophobicContact CB-CH2 4.37Å; L44-W86 HydrophobicContact CD2-CH2 3.95Å; L44-W86 HydrophobicContact CD2-CZ3 3.76Å; L44-W86 VanDerWaalsContact O-CH2 3.24Å; L44-W86 WeakPolarHBondContact O-CH2 3.36Å; L44-W86 VanDerWaalsContact O-CZ2 3.28Å; L44-W86 WeakPolarHBondContact O-CZ2 3.42Å
45	L	97.8	Very high	97.6	Very high	118 Å²	118	74.7 Å²	74.7	62%	0.618	37%	0.365	S	S	*	.	H	α-helix	trans	-70.4	-28.6	-179.6	-66.8	172.6	0	0	0	113.2	V41 Q42 R43 L82	V41-L45 HydrophobicContact CG1-CD1 3.78Å; V41-L45 HydrophobicContact CG1-CG 4.35Å; V41-L45 VanDerWaalsContact O-CG 3.29Å; V41-L45 WeakPolarHBondContact O-CG 3.35Å; V41-L45 PolarHBondContact O-N 3.06Å; Q42-L45 PolarHBondContact O-N 2.85Å; R43-L45 VanDerWaalsContact C-N 3.32Å; R43-L45 PolarHBondContact O-N 3.42Å; L45-L82 HydrophobicContact CD2-CD2 4.14Å
46	S	97.6	Very high	97.7	Very high	71 Å²	71	68.4 Å²	68.4	50%	0.497	34%	0.337	S	S	.	.	H	α-helix	trans	-87.8	-11	179.7	64.2	0	0	0	0	114.5	Q42 R43 L44 K48	Q42-S46 WeakPolarHBondContact O-CB 3.45Å; Q42-S46 PolarHBondContact O-N 2.87Å; Q42-S46 PolarHBondContact O-OG 3.36Å; Q42-S46 VanDerWaalsContact O-OG 3.1Å; R43-S46 WeakPolarHBondContact CA-OG 3.41Å; R43-S46 PolarHBondContact O-N 2.82Å; R43-S46 PolarHBondContact O-OG 2.63Å; R43-S46 VanDerWaalsContact O-OG 3.12Å; L44-S46 VanDerWaalsContact C-N 3.34Å; L44-S46 PolarHBondContact O-N 3Å; S46-K48 PolarHBondContact O-N 3.15Å
47	A	97.7	Very high	97.7	Very high	13 Å²	13	62.4 Å²	62.4	11%	0.107	31%	0.314	C	S	.	.			trans	-68.9	117.9	-176	0	0	0	0	0	111.8	R43 E52 Q53 W86	R43-A47 PolarHBondContact O-N 3.36Å; R43-A47 VanDerWaalsContact O-N 3.09Å; A47-E52 HydrophobicContact CB-CB 3.76Å; A47-Q53 HydrophobicContact CB-CB 4.48Å; A47-Q53 HydrophobicContact CB-CG 3.81Å; A47-W86 HydrophobicContact CB-CH2 3.92Å; A47-W86 HydrophobicContact CB-CZ2 4.2Å
48	K	95.2	Very high	97.7	Very high	193 Å²	193	64.1 Å²	64.1	84%	0.839	32%	0.324	S	S	*	.			trans	-108.1	-28.4	-176.7	-65.3	-177.7	-177	179.7	0	113	S46 E52	S46-K48 PolarHBondContact O-N 3.15Å; K48-E52 PolarHBondContact N-OE2 3.04Å
49	S	96.8	Very high	97.7	Very high	48 Å²	48	63 Å²	63	34%	0.336	32%	0.317	S	S	.	.	S	Bend	trans	-102.3	156.4	177.2	66.1	0	0	0	0	112	H51 E52 Q53	S49-H51 PolarHBondContact O-N 3.26Å; S49-E52 PolarHBondContact N-OE2 3.48Å; S49-E52 PolarHBondContact O-N 3.42Å; S49-E52 VanDerWaalsContact O-N 3.13Å; S49-E52 VanDerWaalsContact OG-CG 3.23Å; S49-E52 WeakPolarHBondContact OG-CG 3.39Å; S49-E52 PolarHBondContact OG-N 3.09Å; S49-E52 PolarHBondContact OG-OE2 3.39Å; S49-E52 VanDerWaalsContact OG-OE2 3.08Å; S49-Q53 VanDerWaalsContact O-CG 3.27Å; S49-Q53 WeakPolarHBondContact O-CG 3.5Å; S49-Q53 PolarHBondContact O-N 2.92Å
50	I	96.9	Very high	97.8	Very high	86 Å²	86	61.2 Å²	61.2	44%	0.441	30%	0.303	S	S	.	.	H	α-helix	trans	-54.4	-39.1	173.9	-66	174.1	0	0	0	110.8	Q53 L54 D92 L95	I50-Q53 PolarHBondContact O-N 3.21Å; I50-L54 WeakPolarHBondContact O-CB 3.41Å; I50-L54 PolarHBondContact O-N 3.12Å; I50-D92 HydrophobicContact CG2-CB 3.76Å; I50-L95 HydrophobicContact CG2-CD2 4.1Å
51	H	97.4	Very high	97.7	Very high	126 Å²	126	62.6 Å²	62.6	58%	0.583	31%	0.309	S	S	*	.	H	α-helix	trans	-62.5	-46.5	177.9	-176.7	77.5	0	0	0	112.5	S49 L54 Q55	S49-H51 PolarHBondContact O-N 3.26Å; H51-L54 PolarHBondContact O-N 3.36Å; H51-Q55 WeakPolarHBondContact O-CG 3.29Å; H51-Q55 PolarHBondContact O-N 2.71Å
52	E	98.1	Very high	97.7	Very high	90 Å²	90	67.7 Å²	67.7	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-66	-37.8	176.7	-69.8	164.6	153.2	0	0	112	A47 K48 S49 Q55 S56	A47-E52 HydrophobicContact CB-CB 3.76Å; K48-E52 PolarHBondContact N-OE2 3.04Å; S49-E52 PolarHBondContact N-OE2 3.48Å; S49-E52 PolarHBondContact O-N 3.42Å; S49-E52 VanDerWaalsContact O-N 3.13Å; S49-E52 VanDerWaalsContact OG-CG 3.23Å; S49-E52 WeakPolarHBondContact OG-CG 3.39Å; S49-E52 PolarHBondContact OG-N 3.09Å; S49-E52 PolarHBondContact OG-OE2 3.39Å; S49-E52 VanDerWaalsContact OG-OE2 3.08Å; E52-Q55 PolarHBondContact O-N 2.85Å; E52-S56 WeakPolarHBondContact O-CB 3.26Å; E52-S56 PolarHBondContact O-N 2.65Å; E52-S56 PolarHBondContact O-OG 2.89Å
53	Q	98.3	Very high	97.7	Very high	30 Å²	30	61.7 Å²	61.7	14%	0.14	30%	0.299	C	S	.	.	H	α-helix	trans	-62.7	-45	176.4	-69.5	174.5	-7.4	0	0	110.6	A47 S49 I50 S56 A57 W86 L95	A47-Q53 HydrophobicContact CB-CB 4.48Å; A47-Q53 HydrophobicContact CB-CG 3.81Å; S49-Q53 VanDerWaalsContact O-CG 3.27Å; S49-Q53 WeakPolarHBondContact O-CG 3.5Å; S49-Q53 PolarHBondContact O-N 2.92Å; I50-Q53 PolarHBondContact O-N 3.21Å; Q53-S56 WeakPolarHBondContact CA-OG 3.47Å; Q53-S56 PolarHBondContact O-OG 3.28Å; Q53-A57 WeakPolarHBondContact O-CB 3.49Å; Q53-A57 PolarHBondContact O-N 2.89Å; Q53-W86 HydrophobicContact CB-CD2 4.27Å; Q53-W86 HydrophobicContact CB-CE3 3.85Å; Q53-W86 HydrophobicContact CB-CH2 4Å; Q53-W86 HydrophobicContact CB-CZ2 4.39Å; Q53-W86 HydrophobicContact CB-CZ3 3.71Å; Q53-W86 HydrophobicContact CG-CD2 4Å; Q53-W86 HydrophobicContact CG-CE3 4.03Å; Q53-W86 HydrophobicContact CG-CH2 3.7Å; Q53-W86 HydrophobicContact CG-CZ2 3.63Å; Q53-W86 HydrophobicContact CG-CZ3 3.89Å; Q53-L95 HydrophobicContact CB-CD1 3.93Å; Q53-L95 HydrophobicContact CB-CD2 3.93Å; Q53-L95 VanDerWaalsContact OE1-CD2 3.25Å
54	L	98.3	Very high	97.6	Very high	41 Å²	41	55.9 Å²	55.9	22%	0.215	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-49.4	176.6	-179.8	60.4	0	0	0	111.2	I50 H51 S56 A57 V58 A94 L95 Q98	I50-L54 WeakPolarHBondContact O-CB 3.41Å; I50-L54 PolarHBondContact O-N 3.12Å; H51-L54 PolarHBondContact O-N 3.36Å; L54-S56 PolarHBondContact O-N 2.61Å; L54-A57 PolarHBondContact O-N 3.07Å; L54-V58 HydrophobicContact CD1-CG2 4.17Å; L54-V58 HydrophobicContact CG-CG2 4.48Å; L54-V58 VanDerWaalsContact O-CG2 3.27Å; L54-V58 WeakPolarHBondContact O-CG2 3.45Å; L54-V58 PolarHBondContact O-N 3.34Å; L54-A94 HydrophobicContact CD1-CB 4.48Å; L54-A94 HydrophobicContact CD2-CB 4.21Å; L54-L95 HydrophobicContact CB-CD1 4.33Å; L54-Q98 HydrophobicContact CD1-CB 3.81Å; L54-Q98 HydrophobicContact CD1-CG 4.03Å
55	Q	98.2	Very high	97.4	Very high	98 Å²	98	59 Å²	59	46%	0.458	29%	0.294	S	S	.	.	H	α-helix	trans	-59.6	-47.2	179.6	-75.3	-67.1	-23.6	0	0	112.6	H51 E52 A57 V58 E59	H51-Q55 WeakPolarHBondContact O-CG 3.29Å; H51-Q55 PolarHBondContact O-N 2.71Å; E52-Q55 PolarHBondContact O-N 2.85Å; Q55-A57 VanDerWaalsContact C-N 3.29Å; Q55-A57 PolarHBondContact O-N 3.47Å; Q55-V58 PolarHBondContact O-N 2.78Å; Q55-E59 PolarHBondContact O-N 3.29Å
56	S	98	Very high	97.2	Very high	5 Å²	5	62.3 Å²	62.3	4%	0.035	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-33.6	178.5	55.5	0	0	0	0	112.5	E52 Q53 L54 E59 L60	E52-S56 WeakPolarHBondContact O-CB 3.26Å; E52-S56 PolarHBondContact O-N 2.65Å; E52-S56 PolarHBondContact O-OG 2.89Å; Q53-S56 WeakPolarHBondContact CA-OG 3.47Å; Q53-S56 PolarHBondContact O-OG 3.28Å; L54-S56 PolarHBondContact O-N 2.61Å; S56-E59 PolarHBondContact O-N 3.08Å; S56-L60 PolarHBondContact O-N 3.38Å
57	A	97.9	Very high	97	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-72.8	-38.9	175.1	0	0	0	0	0	113.8	Q53 L54 Q55 E59 L60 E61 Q98 M99 C102	Q53-A57 WeakPolarHBondContact O-CB 3.49Å; Q53-A57 PolarHBondContact O-N 2.89Å; L54-A57 PolarHBondContact O-N 3.07Å; Q55-A57 VanDerWaalsContact C-N 3.29Å; Q55-A57 PolarHBondContact O-N 3.47Å; A57-E59 PolarHBondContact O-N 2.81Å; A57-L60 WeakPolarHBondContact O-CB 3.33Å; A57-L60 PolarHBondContact O-N 2.75Å; A57-E61 PolarHBondContact O-N 3.33Å; A57-Q98 HydrophobicContact CB-CG 3.48Å; A57-Q98 VanDerWaalsContact CB-CG 3.48Å; A57-Q98 PolarHBondContact O-NE2 3.38Å; A57-Q98 VanDerWaalsContact O-NE2 3.15Å; A57-M99 HydrophobicContact CB-CE 3.06Å; A57-C102 PolarHBondContact O-SG 3.28Å
58	V	98.2	Very high	96.6	Very high	37 Å²	37	62.5 Å²	62.5	22%	0.224	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-37.5	172.2	178.5	0	0	0	0	109.9	L54 Q55 R62 Q98	L54-V58 HydrophobicContact CD1-CG2 4.17Å; L54-V58 HydrophobicContact CG-CG2 4.48Å; L54-V58 VanDerWaalsContact O-CG2 3.27Å; L54-V58 WeakPolarHBondContact O-CG2 3.45Å; L54-V58 PolarHBondContact O-N 3.34Å; Q55-V58 PolarHBondContact O-N 2.78Å; V58-R62 WeakPolarHBondContact O-CG 3.19Å; V58-R62 PolarHBondContact O-N 2.72Å; V58-R62 VanDerWaalsContact O-N 3.12Å; V58-Q98 HydrophobicContact CG2-CG 4.04Å
59	E	98	Very high	96.3	Very high	45 Å²	45	57.6 Å²	57.6	21%	0.21	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-41.7	173.4	-168.9	178.2	-171.8	0	0	112.8	V40 R43 Q55 S56 A57 E61 R62 H63	V40-E59 HydrophobicContact CG2-CG 4.01Å; R43-E59 WeakPolarHBondContact CD-OE2 3.47Å; R43-E59 IonicContact CZ-OE1 3.53Å; R43-E59 IonicContact CZ-OE2 3.77Å; R43-E59 IonicContact NE-OE2 2.64Å; R43-E59 IonicContact NH1-OE1 3.97Å; R43-E59 PolarHBondContact NH1-OE1 2.97Å; R43-E59 IonicContact NH1-OE2 3.55Å; R43-E59 PolarHBondContact NH1-OE2 3.49Å; Q55-E59 PolarHBondContact O-N 3.29Å; S56-E59 PolarHBondContact O-N 3.08Å; A57-E59 PolarHBondContact O-N 2.81Å; E59-E61 PolarHBondContact O-N 3.24Å; E59-R62 PolarHBondContact O-N 3.25Å; E59-H63 VanDerWaalsContact O-CB 3.29Å; E59-H63 WeakPolarHBondContact O-CB 3.39Å; E59-H63 PolarHBondContact O-N 3.17Å
60	L	98.2	Very high	96.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.7	-46.7	174.8	176.4	65	0	0	0	111.9	V40 L44 S56 A57 H63 L64 L76 L83 C102 M106	V40-L60 HydrophobicContact CG1-CB 3.91Å; V40-L60 HydrophobicContact CG1-CD1 3.84Å; V40-L60 HydrophobicContact CG1-CG 4.5Å; L44-L60 HydrophobicContact CD1-CB 4.37Å; L44-L60 HydrophobicContact CD1-CD1 4.38Å; L44-L60 HydrophobicContact CD1-CD2 3.97Å; L44-L60 HydrophobicContact CD1-CG 4.47Å; S56-L60 PolarHBondContact O-N 3.38Å; A57-L60 WeakPolarHBondContact O-CB 3.33Å; A57-L60 PolarHBondContact O-N 2.75Å; L60-H63 PolarHBondContact O-N 2.94Å; L60-L64 HydrophobicContact CD1-CD1 3.8Å; L60-L64 HydrophobicContact CD1-CG 3.93Å; L60-L64 HydrophobicContact CG-CD1 3.9Å; L60-L64 HydrophobicContact CG-CG 4.37Å; L60-L64 WeakPolarHBondContact O-CB 3.21Å; L60-L64 WeakPolarHBondContact O-CG 3.02Å; L60-L64 PolarHBondContact O-N 3.41Å; L60-L76 HydrophobicContact CD1-CD1 3.72Å; L60-L76 HydrophobicContact CD1-CG 4.5Å; L60-L83 HydrophobicContact CD2-CD1 3.56Å; L60-L83 HydrophobicContact CD2-CD2 4.29Å; L60-C102 HydrophobicContact CD2-CB 3.94Å; L60-M106 HydrophobicContact CD2-SD 4.22Å
61	E	97.9	Very high	95.9	Very high	30 Å²	30	51.8 Å²	51.8	14%	0.14	24%	0.241	C	C	.	.	H	α-helix	trans	-58.6	-51	177.3	-173.8	-173.2	136.2	0	0	111.1	A57 E59 H63 L64 L65 Q98 R101 L105 L227	A57-E61 PolarHBondContact O-N 3.33Å; E59-E61 PolarHBondContact O-N 3.24Å; E61-H63 VanDerWaalsContact C-N 3.27Å; E61-H63 PolarHBondContact O-N 3.5Å; E61-L64 PolarHBondContact O-N 2.81Å; E61-L65 HydrophobicContact CG-CD1 4.14Å; E61-L65 WeakPolarHBondContact O-CG 3.36Å; E61-L65 PolarHBondContact O-N 2.93Å; E61-Q98 PolarHBondContact OE2-NE2 3.09Å; E61-Q98 PolarHBondContact OE2-OE1 3.42Å; E61-R101 IonicContact OE1-NE 3.33Å; E61-R101 WeakPolarHBondContact OE2-CD 3.48Å; E61-R101 IonicContact OE2-CZ 2.82Å; E61-R101 IonicContact OE2-NE 3.98Å; E61-R101 PolarHBondContact OE2-NE 2.83Å; E61-L105 HydrophobicContact CB-CD1 4.26Å; E61-L105 HydrophobicContact CG-CD1 3.61Å; E61-L227 HydrophobicContact CG-CD1 4.17Å
62	R	97.2	Very high	95.6	Very high	120 Å²	120	49.2 Å²	49.2	45%	0.453	23%	0.234	S	C	.	.	H	α-helix	trans	-58.9	-39.1	177.4	-72.4	-170.6	-122	114.9	-7.4	112.2	V58 E59 R66	V58-R62 WeakPolarHBondContact O-CG 3.19Å; V58-R62 PolarHBondContact O-N 2.72Å; V58-R62 VanDerWaalsContact O-N 3.12Å; E59-R62 PolarHBondContact O-N 3.25Å; R62-R66 WeakPolarHBondContact O-CG 3.46Å; R62-R66 PolarHBondContact O-N 3.09Å
63	H	97.1	Very high	95.4	Very high	16 Å²	16	46 Å²	46	7%	0.074	22%	0.22	C	C	.	.	H	α-helix	trans	-67.9	-46.8	179.1	-175.6	70.1	0	0	0	111.6	S37 V40 E59 L60 E61 L65 R66 H67	S37-H63 PolarHBondContact OG-NE2 3.36Å; V40-H63 HydrophobicContact CG2-CB 4.17Å; E59-H63 VanDerWaalsContact O-CB 3.29Å; E59-H63 WeakPolarHBondContact O-CB 3.39Å; E59-H63 PolarHBondContact O-N 3.17Å; L60-H63 PolarHBondContact O-N 2.94Å; E61-H63 VanDerWaalsContact C-N 3.27Å; E61-H63 PolarHBondContact O-N 3.5Å; H63-L65 PolarHBondContact O-N 3.17Å; H63-R66 PolarHBondContact O-N 2.94Å; H63-H67 AromaticContact CE1-CD2 3.78Å; H63-H67 AromaticContact ND1-CD2 3.79Å; H63-H67 WeakPolarHBondContact O-CB 3.1Å; H63-H67 PolarHBondContact O-N 3.41Å
64	L	95.8	Very high	95.2	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-66.9	-34.7	179.5	-74.5	176.1	0	0	0	113.2	L60 E61 R66 H67 P68 L71 L76 L105 M106	L60-L64 HydrophobicContact CD1-CD1 3.8Å; L60-L64 HydrophobicContact CD1-CG 3.93Å; L60-L64 HydrophobicContact CG-CD1 3.9Å; L60-L64 HydrophobicContact CG-CG 4.37Å; L60-L64 WeakPolarHBondContact O-CB 3.21Å; L60-L64 WeakPolarHBondContact O-CG 3.02Å; L60-L64 PolarHBondContact O-N 3.41Å; E61-L64 PolarHBondContact O-N 2.81Å; L64-R66 VanDerWaalsContact C-N 3.34Å; L64-H67 CarbonylContact O-C 3.52Å; L64-P68 WeakPolarHBondContact O-CA 3.44Å; L64-L71 HydrophobicContact CD2-CD2 3.63Å; L64-L71 HydrophobicContact CD2-CG 3.78Å; L64-L76 HydrophobicContact CD2-CD2 3.71Å; L64-L105 HydrophobicContact CB-CB 4.23Å; L64-L105 HydrophobicContact CB-CD1 4.04Å; L64-L105 HydrophobicContact CD1-CB 3.81Å; L64-M106 HydrophobicContact CD1-CG 3.66Å
65	L	94.5	Very high	95.1	Very high	67 Å²	67	53.5 Å²	53.5	35%	0.351	25%	0.252	S	S	.	.	H	α-helix	trans	-67.8	-33.7	174.4	-76.5	172.6	0	0	0	112.7	E61 H63 L105 L227	E61-L65 HydrophobicContact CG-CD1 4.14Å; E61-L65 WeakPolarHBondContact O-CG 3.36Å; E61-L65 PolarHBondContact O-N 2.93Å; H63-L65 PolarHBondContact O-N 3.17Å; L65-L105 HydrophobicContact CD2-CD1 4.44Å; L65-L105 HydrophobicContact CD2-CD2 3.81Å; L65-L105 HydrophobicContact CG-CD1 4.08Å; L65-L105 HydrophobicContact CG-CD2 4.3Å; L65-L227 HydrophobicContact CD1-CD1 4.22Å; L65-L227 HydrophobicContact CD2-CD1 4.29Å
66	R	93.2	Very high	94.9	Very high	188 Å²	188	48.9 Å²	48.9	71%	0.709	23%	0.23	S	C	*	.	H	α-helix	trans	-83.7	-33.4	178.4	-71.8	177.8	-177.8	175.3	0.6	113.3	R62 H63 L64	R62-R66 WeakPolarHBondContact O-CG 3.46Å; R62-R66 PolarHBondContact O-N 3.09Å; H63-R66 PolarHBondContact O-N 2.94Å; L64-R66 VanDerWaalsContact C-N 3.34Å
67	H	93.2	Very high	94.7	Very high	19 Å²	19	51.5 Å²	51.5	9%	0.088	24%	0.239	C	C	.	.			trans	-133.1	67	-173.3	-60	-56.5	0	0	0	110.3	I33 H63 L64 E69 A70	I33-H67 HydrophobicContact CG2-CB 3.99Å; H63-H67 AromaticContact CE1-CD2 3.78Å; H63-H67 AromaticContact ND1-CD2 3.79Å; H63-H67 WeakPolarHBondContact O-CB 3.1Å; H63-H67 PolarHBondContact O-N 3.41Å; L64-H67 CarbonylContact O-C 3.52Å; H67-E69 VanDerWaalsContact C-OE2 3.3Å; H67-E69 WeakPolarHBondContact CA-OE2 3.27Å; H67-E69 IonicContact CG-OE1 3.23Å; H67-E69 IonicContact ND1-OE1 2.74Å; H67-E69 PolarHBondContact ND1-OE1 2.61Å; H67-E69 PolarHBondContact O-N 2.84Å; H67-E69 VanDerWaalsContact O-N 3.17Å; H67-A70 HydrophobicContact CB-CB 4.23Å; H67-A70 WeakPolarHBondContact O-CB 3.48Å; H67-A70 PolarHBondContact O-N 3.17Å
68	P	90.5	Very high	94.6	Very high	69 Å²	69	56.5 Å²	56.5	45%	0.448	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-57.5	-29.4	178.4	23.9	-34.3	0	0	0	112.6	L64 A70 L71	L64-P68 WeakPolarHBondContact O-CA 3.44Å; P68-A70 PolarHBondContact O-N 3.07Å; P68-A70 VanDerWaalsContact O-N 3.17Å; P68-L71 PolarHBondContact O-N 2.93Å
69	E	89.6	Confident	94.5	Very high	89 Å²	89	54.9 Å²	54.9	42%	0.416	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-61.3	-18.3	173.8	68.4	-80.4	-174.8	0	0	113.9	I33 H67 L71 T72	I33-E69 VanDerWaalsContact CD1-OE1 3.3Å; I33-E69 WeakPolarHBondContact CD1-OE1 3.3Å; H67-E69 VanDerWaalsContact C-OE2 3.3Å; H67-E69 WeakPolarHBondContact CA-OE2 3.27Å; H67-E69 IonicContact CG-OE1 3.23Å; H67-E69 IonicContact ND1-OE1 2.74Å; H67-E69 PolarHBondContact ND1-OE1 2.61Å; H67-E69 PolarHBondContact O-N 2.84Å; H67-E69 VanDerWaalsContact O-N 3.17Å; E69-L71 PolarHBondContact O-N 2.76Å; E69-L71 VanDerWaalsContact O-N 3.17Å; E69-T72 WeakPolarHBondContact O-CB 3.5Å; E69-T72 WeakPolarHBondContact O-CG2 3.42Å; E69-T72 PolarHBondContact O-N 3.2Å; E69-T72 VanDerWaalsContact O-N 3.08Å; E69-T72 PolarHBondContact O-OG1 3.24Å
70	A	93.2	Very high	94.4	Very high	1 Å²	1	55 Å²	55	1%	0.008	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-61.2	-22.3	175.9	0	0	0	0	0	112.6	I33 S37 H67 P68 T72 L73 L76	I33-A70 HydrophobicContact CG2-CB 4.33Å; S37-A70 WeakPolarHBondContact OG-CB 3.39Å; H67-A70 HydrophobicContact CB-CB 4.23Å; H67-A70 WeakPolarHBondContact O-CB 3.48Å; H67-A70 PolarHBondContact O-N 3.17Å; P68-A70 PolarHBondContact O-N 3.07Å; P68-A70 VanDerWaalsContact O-N 3.17Å; A70-T72 PolarHBondContact O-N 3.35Å; A70-T72 VanDerWaalsContact O-N 3.15Å; A70-L73 VanDerWaalsContact O-CB 3.28Å; A70-L73 WeakPolarHBondContact O-CB 3.35Å; A70-L73 WeakPolarHBondContact O-CG 3.26Å; A70-L73 PolarHBondContact O-N 2.91Å; A70-L76 HydrophobicContact CB-CD2 3.8Å; A70-L76 WeakPolarHBondContact O-CD2 3.17Å
71	L	91.5	Very high	94.2	Very high	12 Å²	12	59.3 Å²	59.3	6%	0.063	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-63.2	-16.9	174.8	-69.9	173	0	0	0	113.7	L64 P68 E69 L73 L76 R77 L105 M106 N259	L64-L71 HydrophobicContact CD2-CD2 3.63Å; L64-L71 HydrophobicContact CD2-CG 3.78Å; P68-L71 PolarHBondContact O-N 2.93Å; E69-L71 PolarHBondContact O-N 2.76Å; E69-L71 VanDerWaalsContact O-N 3.17Å; L71-L73 PolarHBondContact O-N 2.87Å; L71-L76 HydrophobicContact CD2-CD2 4.34Å; L71-R77 WeakPolarHBondContact O-CD 3.48Å; L71-R77 WeakPolarHBondContact O-CG 3.31Å; L71-R77 PolarHBondContact O-NE 3.3Å; L71-L105 WeakPolarHBondContact CD1-O 3.45Å; L71-M106 HydrophobicContact CD2-CB 4.27Å; L71-M106 HydrophobicContact CD2-CG 4.07Å; L71-N259 WeakPolarHBondContact CD1-ND2 3.44Å
72	T	90.4	Very high	94.2	Very high	71 Å²	71	60.3 Å²	60.3	44%	0.436	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-64.5	-20.9	171.3	61.8	0	0	0	0	112.3	E69 A70 K74	E69-T72 WeakPolarHBondContact O-CB 3.5Å; E69-T72 WeakPolarHBondContact O-CG2 3.42Å; E69-T72 PolarHBondContact O-N 3.2Å; E69-T72 VanDerWaalsContact O-N 3.08Å; E69-T72 PolarHBondContact O-OG1 3.24Å; A70-T72 PolarHBondContact O-N 3.35Å; A70-T72 VanDerWaalsContact O-N 3.15Å; T72-K74 PolarHBondContact O-N 3.25Å
73	L	94	Very high	94.1	Very high	23 Å²	23	54.6 Å²	54.6	12%	0.12	27%	0.27	C	S	.	.			trans	-77.6	120.5	179.8	-60.5	169.8	0	0	0	111.5	V34 S37 A70 L71 Q75 L76 R77	V34-L73 HydrophobicContact CB-CD1 4.38Å; V34-L73 HydrophobicContact CG1-CD1 4.41Å; V34-L73 HydrophobicContact CG1-CD2 4.24Å; V34-L73 HydrophobicContact CG2-CD1 4.1Å; V34-L73 HydrophobicContact CG2-CD2 3.78Å; S37-L73 WeakPolarHBondContact OG-CD1 3.46Å; A70-L73 VanDerWaalsContact O-CB 3.28Å; A70-L73 WeakPolarHBondContact O-CB 3.35Å; A70-L73 WeakPolarHBondContact O-CG 3.26Å; A70-L73 PolarHBondContact O-N 2.91Å; L71-L73 PolarHBondContact O-N 2.87Å; L73-Q75 VanDerWaalsContact C-N 3.28Å; L73-Q75 PolarHBondContact O-N 3.48Å; L73-L76 HydrophobicContact CB-CB 4.23Å; L73-L76 PolarHBondContact O-N 3.49Å; L73-R77 PolarHBondContact O-N 2.9Å; L73-R77 VanDerWaalsContact O-N 3.17Å
74	K	94.7	Very high	94	Very high	132 Å²	132	59 Å²	59	57%	0.574	29%	0.286	S	S	*	.	H	α-helix	trans	-58.7	-39.9	179.6	-173	179	-179.8	-179.5	0	112.1	T72 L76 R77 N78	T72-K74 PolarHBondContact O-N 3.25Å; K74-L76 VanDerWaalsContact C-N 3.3Å; K74-L76 PolarHBondContact O-N 3Å; K74-R77 PolarHBondContact O-N 3.2Å; K74-N78 WeakPolarHBondContact O-CB 3.49Å; K74-N78 PolarHBondContact O-N 3.38Å; K74-N78 PolarHBondContact O-OD1 2.82Å
75	Q	95.9	Very high	94	Very high	96 Å²	96	60.5 Å²	60.5	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-59.5	-41.6	179.2	-64.9	86.4	-25	0	0	111.5	L38 L73 N78	L38-Q75 HydrophobicContact CD2-CB 3.8Å; L38-Q75 HydrophobicContact CD2-CG 3.77Å; L73-Q75 VanDerWaalsContact C-N 3.28Å; L73-Q75 PolarHBondContact O-N 3.48Å; Q75-N78 PolarHBondContact O-N 2.88Å
76	L	94.4	Very high	94.1	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-66.6	-43.9	176.5	-165.7	70.1	0	0	0	110.8	V41 L60 L64 A70 L71 L73 K74 N78 V79 M106	V41-L76 HydrophobicContact CG2-CB 4.25Å; V41-L76 HydrophobicContact CG2-CD1 3.66Å; L60-L76 HydrophobicContact CD1-CD1 3.72Å; L60-L76 HydrophobicContact CD1-CG 4.5Å; L64-L76 HydrophobicContact CD2-CD2 3.71Å; A70-L76 HydrophobicContact CB-CD2 3.8Å; A70-L76 WeakPolarHBondContact O-CD2 3.17Å; L71-L76 HydrophobicContact CD2-CD2 4.34Å; L73-L76 HydrophobicContact CB-CB 4.23Å; L73-L76 PolarHBondContact O-N 3.49Å; K74-L76 VanDerWaalsContact C-N 3.3Å; K74-L76 PolarHBondContact O-N 3Å; L76-N78 VanDerWaalsContact C-N 3.29Å; L76-N78 PolarHBondContact O-N 3.21Å; L76-V79 WeakPolarHBondContact O-CG2 3.5Å; L76-V79 PolarHBondContact O-N 2.93Å; L76-M106 WeakPolarHBondContact O-CE 3.37Å
77	R	93.8	Very high	94.2	Very high	60 Å²	60	50.6 Å²	50.6	23%	0.226	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-34.3	177.9	-66.6	-174.1	-69.7	131	-6	113.3	L71 L73 K74 V79 M80	L71-R77 WeakPolarHBondContact O-CD 3.48Å; L71-R77 WeakPolarHBondContact O-CG 3.31Å; L71-R77 PolarHBondContact O-NE 3.3Å; L73-R77 PolarHBondContact O-N 2.9Å; L73-R77 VanDerWaalsContact O-N 3.17Å; K74-R77 PolarHBondContact O-N 3.2Å; R77-V79 PolarHBondContact O-N 3.45Å; R77-V79 VanDerWaalsContact O-N 3.15Å; R77-M80 WeakPolarHBondContact O-CB 3.26Å; R77-M80 PolarHBondContact O-N 2.68Å; R77-M80 VanDerWaalsContact O-N 3.12Å
78	N	95.2	Very high	94.2	Very high	105 Å²	105	55 Å²	55	56%	0.561	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-12.2	-178.8	-73.5	-4.4	0	0	0	113.8	K74 Q75 L76 M80 P81	K74-N78 WeakPolarHBondContact O-CB 3.49Å; K74-N78 PolarHBondContact O-N 3.38Å; K74-N78 PolarHBondContact O-OD1 2.82Å; Q75-N78 PolarHBondContact O-N 2.88Å; L76-N78 VanDerWaalsContact C-N 3.29Å; L76-N78 PolarHBondContact O-N 3.21Å; N78-M80 VanDerWaalsContact C-N 3.34Å; N78-P81 WeakPolarHBondContact O-CD 3.49Å
79	V	96	Very high	94.5	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.018	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-10.4	174.5	-46.5	0	0	0	0	112.9	V41 L44 L76 R77 L82 L83 M106	V41-V79 HydrophobicContact CB-CG1 4.41Å; V41-V79 HydrophobicContact CG1-CG1 3.87Å; V41-V79 HydrophobicContact CG2-CG1 4.09Å; L44-V79 HydrophobicContact CD1-CB 4.36Å; L44-V79 HydrophobicContact CD1-CG1 4.39Å; L44-V79 HydrophobicContact CD1-CG2 3.89Å; L76-V79 WeakPolarHBondContact O-CG2 3.5Å; L76-V79 PolarHBondContact O-N 2.93Å; R77-V79 PolarHBondContact O-N 3.45Å; R77-V79 VanDerWaalsContact O-N 3.15Å; V79-L82 WeakPolarHBondContact O-CA 3.45Å; V79-L82 VanDerWaalsContact O-CB 3.23Å; V79-L82 WeakPolarHBondContact O-CB 3.42Å; V79-L82 PolarHBondContact O-N 3.13Å; V79-L83 HydrophobicContact CG2-CD1 4.25Å; V79-L83 HydrophobicContact CG2-CG 4.28Å; V79-L83 PolarHBondContact O-N 3.44Å; V79-M106 HydrophobicContact CG2-CE 3.97Å; V79-M106 HydrophobicContact CG2-SD 4.33Å
80	M	95.3	Very high	94.7	Very high	47 Å²	47	54.1 Å²	54.1	23%	0.232	27%	0.273	C	S	.	.	H	α-helix	trans	-56.9	-41.7	-176.6	-159.8	-177.4	-48.1	0	0	113.9	R77 N78 L82 L83 Y84 L103 M106 H108	R77-M80 WeakPolarHBondContact O-CB 3.26Å; R77-M80 PolarHBondContact O-N 2.68Å; R77-M80 VanDerWaalsContact O-N 3.12Å; N78-M80 VanDerWaalsContact C-N 3.34Å; M80-L82 VanDerWaalsContact C-N 3.29Å; M80-L82 PolarHBondContact O-N 3.37Å; M80-L83 PolarHBondContact O-N 2.84Å; M80-Y84 PolarHBondContact O-N 3.33Å; M80-L103 HydrophobicContact CG-CD2 3.8Å; M80-M106 HydrophobicContact CB-CE 4.03Å; M80-M106 HydrophobicContact CB-SD 4.48Å; M80-M106 HydrophobicContact CE-CB 4.02Å; M80-M106 HydrophobicContact CE-CE 4.1Å; M80-M106 HydrophobicContact CG-CE 4.48Å; M80-M106 HydrophobicContact CG-SD 4.48Å; M80-H108 HydrophobicContact SD-CB 4.13Å
81	P	95.5	Very high	94.8	Very high	91 Å²	91	62.7 Å²	62.7	59%	0.591	31%	0.313	S	S	*	.	H	α-helix	trans	-61.9	-34.2	173.4	-23.2	35.6	0	0	0	113.4	N78 Y84 A85	N78-P81 WeakPolarHBondContact O-CD 3.49Å; P81-Y84 PolarHBondContact O-N 3.06Å; P81-A85 WeakPolarHBondContact O-CB 3.38Å; P81-A85 PolarHBondContact O-N 2.75Å
82	L	96.7	Very high	95.1	Very high	51 Å²	51	64.9 Å²	64.9	27%	0.267	32%	0.324	S	S	.	.	H	α-helix	trans	-64.8	-47.8	175.4	179.1	71.4	0	0	0	110.6	L44 L45 V79 M80 Y84 A85 W86	L44-L82 HydrophobicContact CB-CD2 4.44Å; L45-L82 HydrophobicContact CD2-CD2 4.14Å; V79-L82 WeakPolarHBondContact O-CA 3.45Å; V79-L82 VanDerWaalsContact O-CB 3.23Å; V79-L82 WeakPolarHBondContact O-CB 3.42Å; V79-L82 PolarHBondContact O-N 3.13Å; M80-L82 VanDerWaalsContact C-N 3.29Å; M80-L82 PolarHBondContact O-N 3.37Å; L82-Y84 VanDerWaalsContact C-N 3.31Å; L82-Y84 PolarHBondContact O-N 3.49Å; L82-A85 WeakPolarHBondContact O-CB 3.34Å; L82-A85 PolarHBondContact O-N 3.34Å; L82-W86 HydrophobicContact CD1-CZ2 4.11Å; L82-W86 HydrophobicContact CD2-CH2 4.2Å; L82-W86 HydrophobicContact CD2-CZ2 3.71Å; L82-W86 HydrophobicContact CG-CD2 4.33Å; L82-W86 HydrophobicContact CG-CZ2 3.87Å; L82-W86 PolarHBondContact O-N 3.22Å
83	L	96.4	Very high	95.4	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.1	-40.7	178.1	-56.5	-177	0	0	0	111.8	L44 L60 V79 M80 W86 R87 M99 C102 L103 M106	L44-L83 HydrophobicContact CD2-CD2 3.97Å; L60-L83 HydrophobicContact CD2-CD1 3.56Å; L60-L83 HydrophobicContact CD2-CD2 4.29Å; V79-L83 HydrophobicContact CG2-CD1 4.25Å; V79-L83 HydrophobicContact CG2-CG 4.28Å; V79-L83 PolarHBondContact O-N 3.44Å; M80-L83 PolarHBondContact O-N 2.84Å; L83-W86 HydrophobicContact CD2-CE3 4.24Å; L83-W86 HydrophobicContact CD2-CZ3 4.3Å; L83-W86 PolarHBondContact O-N 3.16Å; L83-R87 PolarHBondContact O-N 3.34Å; L83-M99 HydrophobicContact CB-SD 3.73Å; L83-M99 HydrophobicContact CD2-CE 3.99Å; L83-M99 HydrophobicContact CD2-SD 3.66Å; L83-M99 HydrophobicContact CG-SD 4.24Å; L83-C102 HydrophobicContact CD1-CB 3.98Å; L83-L103 HydrophobicContact CB-CD2 4.1Å; L83-L103 HydrophobicContact CB-CG 4.38Å; L83-M106 HydrophobicContact CD1-SD 3.39Å; L83-M106 WeakPolarHBondContact CD1-SD 3.47Å
84	Y	94.4	Very high	95.6	Very high	109 Å²	109	70.3 Å²	70.3	43%	0.427	35%	0.351	S	S	.	.	H	α-helix	trans	-61.6	-46.3	174.8	-170.8	-93.1	0	0	0	111.1	M80 P81 L82 W86 R87 Q88 L103	M80-Y84 PolarHBondContact O-N 3.33Å; P81-Y84 PolarHBondContact O-N 3.06Å; L82-Y84 VanDerWaalsContact C-N 3.31Å; L82-Y84 PolarHBondContact O-N 3.49Å; Y84-W86 PolarHBondContact O-N 2.83Å; Y84-R87 PolarHBondContact O-N 2.81Å; Y84-Q88 HydrophobicContact CD1-CG 4.08Å; Y84-Q88 HydrophobicContact CE1-CG 3.73Å; Y84-Q88 WeakPolarHBondContact O-CG 3.48Å; Y84-Q88 PolarHBondContact O-N 3.36Å; Y84-Q88 VanDerWaalsContact O-N 3.09Å; Y84-Q88 PolarHBondContact OH-NE2 2.98Å; Y84-L103 HydrophobicContact CD2-CD1 4.46Å
85	A	95.8	Very high	95.7	Very high	37 Å²	37	64 Å²	64	31%	0.306	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-43.8	176.7	0	0	0	0	0	112.2	P81 L82 R87 Q88 N89	P81-A85 WeakPolarHBondContact O-CB 3.38Å; P81-A85 PolarHBondContact O-N 2.75Å; L82-A85 WeakPolarHBondContact O-CB 3.34Å; L82-A85 PolarHBondContact O-N 3.34Å; A85-R87 VanDerWaalsContact C-N 3.35Å; A85-R87 PolarHBondContact O-N 3.17Å; A85-Q88 PolarHBondContact O-N 3.36Å; A85-N89 WeakPolarHBondContact O-CB 3.44Å; A85-N89 VanDerWaalsContact O-CG 3.27Å; A85-N89 PolarHBondContact O-N 3.41Å; A85-N89 PolarHBondContact O-ND2 3.04Å
86	W	96.3	Very high	95.8	Very high	25 Å²	25	63.1 Å²	63.1	10%	0.095	32%	0.318	C	S	.	.	H	α-helix	trans	-58.9	-45.4	174.9	-70.7	-2.2	0	0	0	111.7	L44 A47 Q53 L82 L83 Y84 Q88 N89 T90 M99	L44-W86 HydrophobicContact CB-CH2 4.37Å; L44-W86 HydrophobicContact CD2-CH2 3.95Å; L44-W86 HydrophobicContact CD2-CZ3 3.76Å; L44-W86 VanDerWaalsContact O-CH2 3.24Å; L44-W86 WeakPolarHBondContact O-CH2 3.36Å; L44-W86 VanDerWaalsContact O-CZ2 3.28Å; L44-W86 WeakPolarHBondContact O-CZ2 3.42Å; A47-W86 HydrophobicContact CB-CH2 3.92Å; A47-W86 HydrophobicContact CB-CZ2 4.2Å; Q53-W86 HydrophobicContact CB-CD2 4.27Å; Q53-W86 HydrophobicContact CB-CE3 3.85Å; Q53-W86 HydrophobicContact CB-CH2 4Å; Q53-W86 HydrophobicContact CB-CZ2 4.39Å; Q53-W86 HydrophobicContact CB-CZ3 3.71Å; Q53-W86 HydrophobicContact CG-CD2 4Å; Q53-W86 HydrophobicContact CG-CE3 4.03Å; Q53-W86 HydrophobicContact CG-CH2 3.7Å; Q53-W86 HydrophobicContact CG-CZ2 3.63Å; Q53-W86 HydrophobicContact CG-CZ3 3.89Å; L82-W86 HydrophobicContact CD1-CZ2 4.11Å; L82-W86 HydrophobicContact CD2-CH2 4.2Å; L82-W86 HydrophobicContact CD2-CZ2 3.71Å; L82-W86 HydrophobicContact CG-CD2 4.33Å; L82-W86 HydrophobicContact CG-CZ2 3.87Å; L82-W86 PolarHBondContact O-N 3.22Å; L83-W86 HydrophobicContact CD2-CE3 4.24Å; L83-W86 HydrophobicContact CD2-CZ3 4.3Å; L83-W86 PolarHBondContact O-N 3.16Å; Y84-W86 PolarHBondContact O-N 2.83Å; W86-Q88 VanDerWaalsContact C-N 3.3Å; W86-Q88 PolarHBondContact O-N 3.23Å; W86-N89 PolarHBondContact O-N 3.3Å; W86-T90 VanDerWaalsContact O-CB 3.3Å; W86-T90 WeakPolarHBondContact O-CB 3.37Å; W86-T90 WeakPolarHBondContact O-CG2 3.47Å; W86-T90 PolarHBondContact O-N 3.01Å; W86-M99 HydrophobicContact CB-CG 4.09Å; W86-M99 HydrophobicContact CB-SD 3.87Å; W86-M99 HydrophobicContact CD2-SD 4.41Å; W86-M99 HydrophobicContact CE3-CE 3.82Å; W86-M99 HydrophobicContact CE3-SD 3.69Å; W86-M99 HydrophobicContact CZ3-CE 4.29Å
87	R	95.5	Very high	95.9	Very high	22 Å²	22	65.3 Å²	65.3	8%	0.083	33%	0.33	C	S	.	.	H	α-helix	trans	-61	-37.3	178.6	-167.3	178.1	177.9	-178.1	3.4	113	L83 Y84 A85 K96 M99 A100 E231	L83-R87 PolarHBondContact O-N 3.34Å; Y84-R87 PolarHBondContact O-N 2.81Å; A85-R87 VanDerWaalsContact C-N 3.35Å; A85-R87 PolarHBondContact O-N 3.17Å; R87-K96 HydrophobicContact CG-CG 3.93Å; R87-M99 HydrophobicContact CB-CB 3.7Å; R87-M99 HydrophobicContact CB-CG 4.1Å; R87-M99 HydrophobicContact CG-CB 4Å; R87-A100 VanDerWaalsContact CZ-CB 3.41Å; R87-E231 PolarHBondContact NH2-O 3.15Å
88	Q	93.7	Very high	96.1	Very high	111 Å²	111	62.7 Å²	62.7	52%	0.519	32%	0.32	S	S	.	.	H	α-helix	trans	-77	-36.2	-178.9	-66	-59.5	-27	0	0	112.5	Y84 A85 W86	Y84-Q88 HydrophobicContact CD1-CG 4.08Å; Y84-Q88 HydrophobicContact CE1-CG 3.73Å; Y84-Q88 WeakPolarHBondContact O-CG 3.48Å; Y84-Q88 PolarHBondContact O-N 3.36Å; Y84-Q88 VanDerWaalsContact O-N 3.09Å; Y84-Q88 PolarHBondContact OH-NE2 2.98Å; A85-Q88 PolarHBondContact O-N 3.36Å; W86-Q88 VanDerWaalsContact C-N 3.3Å; W86-Q88 PolarHBondContact O-N 3.23Å
89	N	95.3	Very high	96.2	Very high	126 Å²	126	57.7 Å²	57.7	67%	0.674	29%	0.293	S	S	*	.	H	α-helix	trans	-95.7	-16.8	-170.5	-63	-27.5	0	0	0	113.9	A85 W86	A85-N89 WeakPolarHBondContact O-CB 3.44Å; A85-N89 VanDerWaalsContact O-CG 3.27Å; A85-N89 PolarHBondContact O-N 3.41Å; A85-N89 PolarHBondContact O-ND2 3.04Å; W86-N89 PolarHBondContact O-N 3.3Å
90	T	95.5	Very high	96.2	Very high	14 Å²	14	57.6 Å²	57.6	9%	0.086	29%	0.293	C	S	.	.			trans	-79.6	142.4	179.3	-168	0	0	0	0	112.7	W86 D92 L95 K96	W86-T90 VanDerWaalsContact O-CB 3.3Å; W86-T90 WeakPolarHBondContact O-CB 3.37Å; W86-T90 WeakPolarHBondContact O-CG2 3.47Å; W86-T90 PolarHBondContact O-N 3.01Å; T90-D92 WeakPolarHBondContact OG1-CB 3.45Å; T90-D92 PolarHBondContact OG1-N 2.91Å; T90-L95 HydrophobicContact CG2-CB 4.33Å; T90-L95 HydrophobicContact CG2-CD2 4.27Å; T90-L95 HydrophobicContact CG2-CG 4.2Å; T90-K96 HydrophobicContact CG2-CB 3.96Å
91	H	95.2	Very high	96.4	Very high	180 Å²	180	57.6 Å²	57.6	83%	0.833	29%	0.29	S	S	*	.			trans	-97.1	-7.7	165.3	-62.2	-55.9	0	0	0	112.7	F93	H91-F93 PolarHBondContact O-N 3.5Å
92	D	97.5	Very high	96.5	Very high	58 Å²	58	53.3 Å²	53.3	31%	0.31	26%	0.262	S	S	.	.			trans	-76.8	119.1	176.5	-176.3	-90.5	0	0	0	110.4	I50 T90 A94 L95 K96	I50-D92 HydrophobicContact CG2-CB 3.76Å; T90-D92 WeakPolarHBondContact OG1-CB 3.45Å; T90-D92 PolarHBondContact OG1-N 2.91Å; D92-A94 WeakPolarHBondContact OD1-CB 3.5Å; D92-A94 PolarHBondContact OD1-N 3.33Å; D92-L95 HydrophobicContact CB-CB 4.15Å; D92-L95 WeakPolarHBondContact OD1-CB 3.4Å; D92-L95 PolarHBondContact OD1-N 3.35Å; D92-K96 WeakPolarHBondContact O-CB 3.26Å; D92-K96 PolarHBondContact O-N 3.07Å
93	F	96.4	Very high	96.5	Very high	160 Å²	160	51 Å²	51	70%	0.702	25%	0.25	S	C	*	.	H	α-helix	trans	-64.8	-42.4	-176.9	-67.4	-71.8	0	0	0	112.2	H91 L95 K96 D97	H91-F93 PolarHBondContact O-N 3.5Å; F93-L95 PolarHBondContact O-N 3.36Å; F93-K96 WeakPolarHBondContact O-CB 3.45Å; F93-K96 PolarHBondContact O-N 3.21Å; F93-K96 VanDerWaalsContact O-N 3.12Å; F93-D97 WeakPolarHBondContact O-CB 3.49Å; F93-D97 VanDerWaalsContact O-CG 3.22Å; F93-D97 PolarHBondContact O-N 2.9Å
94	A	97.3	Very high	96.5	Very high	49 Å²	49	51.2 Å²	51.2	41%	0.405	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-42.8	-178.8	0	0	0	0	0	111.7	L54 D92 Q98	L54-A94 HydrophobicContact CD1-CB 4.48Å; L54-A94 HydrophobicContact CD2-CB 4.21Å; D92-A94 WeakPolarHBondContact OD1-CB 3.5Å; D92-A94 PolarHBondContact OD1-N 3.33Å; A94-Q98 VanDerWaalsContact O-CB 3.24Å; A94-Q98 WeakPolarHBondContact O-CB 3.28Å; A94-Q98 PolarHBondContact O-N 2.92Å
95	L	97.6	Very high	96.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.7	-42.4	174	-178.9	58.2	0	0	0	111.4	I50 Q53 L54 T90 D92 F93 D97 Q98 M99	I50-L95 HydrophobicContact CG2-CD2 4.1Å; Q53-L95 HydrophobicContact CB-CD1 3.93Å; Q53-L95 HydrophobicContact CB-CD2 3.93Å; Q53-L95 VanDerWaalsContact OE1-CD2 3.25Å; L54-L95 HydrophobicContact CB-CD1 4.33Å; T90-L95 HydrophobicContact CG2-CB 4.33Å; T90-L95 HydrophobicContact CG2-CD2 4.27Å; T90-L95 HydrophobicContact CG2-CG 4.2Å; D92-L95 HydrophobicContact CB-CB 4.15Å; D92-L95 WeakPolarHBondContact OD1-CB 3.4Å; D92-L95 PolarHBondContact OD1-N 3.35Å; F93-L95 PolarHBondContact O-N 3.36Å; L95-D97 VanDerWaalsContact C-N 3.33Å; L95-D97 PolarHBondContact O-N 3.05Å; L95-Q98 PolarHBondContact O-N 3.17Å; L95-M99 HydrophobicContact CD1-CE 3.89Å; L95-M99 HydrophobicContact CD1-CG 4.26Å; L95-M99 HydrophobicContact CG-CG 4.48Å; L95-M99 WeakPolarHBondContact O-CB 3.28Å; L95-M99 VanDerWaalsContact O-CG 3.22Å; L95-M99 WeakPolarHBondContact O-CG 3.29Å; L95-M99 PolarHBondContact O-N 2.97Å
96	K	97.1	Very high	96.6	Very high	77 Å²	77	44.8 Å²	44.8	34%	0.335	22%	0.22	S	C	.	.	H	α-helix	trans	-60.7	-43	179.2	-166.3	172.4	-171.7	166.4	0	112.3	R87 T90 D92 F93 A100	R87-K96 HydrophobicContact CG-CG 3.93Å; T90-K96 HydrophobicContact CG2-CB 3.96Å; D92-K96 WeakPolarHBondContact O-CB 3.26Å; D92-K96 PolarHBondContact O-N 3.07Å; F93-K96 WeakPolarHBondContact O-CB 3.45Å; F93-K96 PolarHBondContact O-N 3.21Å; F93-K96 VanDerWaalsContact O-N 3.12Å; K96-A100 PolarHBondContact O-N 2.88Å
97	D	97.5	Very high	96.5	Very high	47 Å²	47	44 Å²	44	25%	0.251	22%	0.219	S	C	.	.	H	α-helix	trans	-69.1	-44.7	178.3	-66.6	-17.1	0	0	0	110.5	F93 L95 M99 A100 R101 E231	F93-D97 WeakPolarHBondContact O-CB 3.49Å; F93-D97 VanDerWaalsContact O-CG 3.22Å; F93-D97 PolarHBondContact O-N 2.9Å; L95-D97 VanDerWaalsContact C-N 3.33Å; L95-D97 PolarHBondContact O-N 3.05Å; D97-M99 VanDerWaalsContact C-N 3.31Å; D97-M99 PolarHBondContact O-N 3.24Å; D97-A100 VanDerWaalsContact O-CB 3.27Å; D97-A100 WeakPolarHBondContact O-CB 3.48Å; D97-A100 PolarHBondContact O-N 3.37Å; D97-R101 PolarHBondContact O-N 2.95Å; D97-R101 VanDerWaalsContact O-N 3.13Å; D97-E231 HydrophobicContact CB-CB 4.2Å; D97-E231 HydrophobicContact CB-CG 3.75Å
98	Q	97.9	Very high	96.4	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.019	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-40.5	175.2	-171.9	61	36.4	0	0	112.7	L54 A57 V58 E61 A94 L95 A100 R101 C102	L54-Q98 HydrophobicContact CD1-CB 3.81Å; L54-Q98 HydrophobicContact CD1-CG 4.03Å; A57-Q98 HydrophobicContact CB-CG 3.48Å; A57-Q98 VanDerWaalsContact CB-CG 3.48Å; A57-Q98 PolarHBondContact O-NE2 3.38Å; A57-Q98 VanDerWaalsContact O-NE2 3.15Å; V58-Q98 HydrophobicContact CG2-CG 4.04Å; E61-Q98 PolarHBondContact OE2-NE2 3.09Å; E61-Q98 PolarHBondContact OE2-OE1 3.42Å; A94-Q98 VanDerWaalsContact O-CB 3.24Å; A94-Q98 WeakPolarHBondContact O-CB 3.28Å; A94-Q98 PolarHBondContact O-N 2.92Å; L95-Q98 PolarHBondContact O-N 3.17Å; Q98-A100 VanDerWaalsContact C-N 3.32Å; Q98-A100 PolarHBondContact O-N 3.3Å; Q98-R101 PolarHBondContact O-N 3.21Å; Q98-C102 PolarHBondContact O-N 2.86Å; Q98-C102 PolarHBondContact O-SG 2.95Å
99	M	97.4	Very high	96.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-38.9	174.8	-71.8	-60.3	97.9	0	0	111.9	A57 L83 W86 R87 L95 D97 C102 L103	A57-M99 HydrophobicContact CB-CE 3.06Å; L83-M99 HydrophobicContact CB-SD 3.73Å; L83-M99 HydrophobicContact CD2-CE 3.99Å; L83-M99 HydrophobicContact CD2-SD 3.66Å; L83-M99 HydrophobicContact CG-SD 4.24Å; W86-M99 HydrophobicContact CB-CG 4.09Å; W86-M99 HydrophobicContact CB-SD 3.87Å; W86-M99 HydrophobicContact CD2-SD 4.41Å; W86-M99 HydrophobicContact CE3-CE 3.82Å; W86-M99 HydrophobicContact CE3-SD 3.69Å; W86-M99 HydrophobicContact CZ3-CE 4.29Å; R87-M99 HydrophobicContact CB-CB 3.7Å; R87-M99 HydrophobicContact CB-CG 4.1Å; R87-M99 HydrophobicContact CG-CB 4Å; L95-M99 HydrophobicContact CD1-CE 3.89Å; L95-M99 HydrophobicContact CD1-CG 4.26Å; L95-M99 HydrophobicContact CG-CG 4.48Å; L95-M99 WeakPolarHBondContact O-CB 3.28Å; L95-M99 VanDerWaalsContact O-CG 3.22Å; L95-M99 WeakPolarHBondContact O-CG 3.29Å; L95-M99 PolarHBondContact O-N 2.97Å; D97-M99 VanDerWaalsContact C-N 3.31Å; D97-M99 PolarHBondContact O-N 3.24Å; M99-C102 PolarHBondContact O-N 2.86Å; M99-L103 WeakPolarHBondContact O-CB 3.39Å; M99-L103 WeakPolarHBondContact O-CD1 3.5Å; M99-L103 WeakPolarHBondContact O-CG 3.42Å; M99-L103 PolarHBondContact O-N 2.9Å
100	A	96.8	Very high	96	Very high	2 Å²	2	39 Å²	39	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-46.5	177.6	0	0	0	0	0	111.6	R87 K96 D97 Q98 L103 A104 T230	R87-A100 VanDerWaalsContact CZ-CB 3.41Å; K96-A100 PolarHBondContact O-N 2.88Å; D97-A100 VanDerWaalsContact O-CB 3.27Å; D97-A100 WeakPolarHBondContact O-CB 3.48Å; D97-A100 PolarHBondContact O-N 3.37Å; Q98-A100 VanDerWaalsContact C-N 3.32Å; Q98-A100 PolarHBondContact O-N 3.3Å; A100-L103 PolarHBondContact O-N 3.35Å; A100-A104 PolarHBondContact O-N 3.46Å; A100-T230 WeakPolarHBondContact CB-O 3.25Å
101	R	98	Very high	95.7	Very high	47 Å²	47	42.6 Å²	42.6	18%	0.177	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-46.3	176.7	-62.9	-162	-75.3	-121.6	-12.6	112.1	E61 D97 Q98 L103 A104 L105 L227 D228 E231	E61-R101 IonicContact OE1-NE 3.33Å; E61-R101 WeakPolarHBondContact OE2-CD 3.48Å; E61-R101 IonicContact OE2-CZ 2.82Å; E61-R101 IonicContact OE2-NE 3.98Å; E61-R101 PolarHBondContact OE2-NE 2.83Å; D97-R101 PolarHBondContact O-N 2.95Å; D97-R101 VanDerWaalsContact O-N 3.13Å; Q98-R101 PolarHBondContact O-N 3.21Å; R101-L103 PolarHBondContact O-N 3.01Å; R101-A104 PolarHBondContact O-N 2.75Å; R101-L105 PolarHBondContact O-N 2.9Å; R101-L227 HydrophobicContact CB-CB 4.13Å; R101-L227 HydrophobicContact CG-CB 3.78Å; R101-D228 IonicContact CZ-OD1 2.71Å; R101-D228 IonicContact NH1-OD1 3.09Å; R101-D228 PolarHBondContact NH1-OD1 3.26Å; R101-E231 IonicContact CZ-OE1 2.91Å; R101-E231 IonicContact NH1-OE1 3.85Å; R101-E231 PolarHBondContact NH1-OE1 2.94Å
102	C	97.8	Very high	95.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-45	177.5	-66.9	0	0	0	0	111.8	A57 L60 L83 Q98 M99 A104 L105 M106	A57-C102 PolarHBondContact O-SG 3.28Å; L60-C102 HydrophobicContact CD2-CB 3.94Å; L83-C102 HydrophobicContact CD1-CB 3.98Å; Q98-C102 PolarHBondContact O-N 2.86Å; Q98-C102 PolarHBondContact O-SG 2.95Å; M99-C102 PolarHBondContact O-N 2.86Å; C102-A104 VanDerWaalsContact C-N 3.33Å; C102-A104 PolarHBondContact O-N 3.37Å; C102-L105 PolarHBondContact O-N 2.95Å; C102-M106 WeakPolarHBondContact O-CB 3.33Å; C102-M106 VanDerWaalsContact O-CG 3.27Å; C102-M106 WeakPolarHBondContact O-CG 3.29Å; C102-M106 PolarHBondContact O-N 3.33Å
103	L	96.7	Very high	95	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-60.7	-42.3	176.6	-73.3	167.8	0	0	0	111.4	M80 L83 Y84 M99 A100 R101 L105 M106 G107 H108	M80-L103 HydrophobicContact CG-CD2 3.8Å; L83-L103 HydrophobicContact CB-CD2 4.1Å; L83-L103 HydrophobicContact CB-CG 4.38Å; Y84-L103 HydrophobicContact CD2-CD1 4.46Å; M99-L103 WeakPolarHBondContact O-CB 3.39Å; M99-L103 WeakPolarHBondContact O-CD1 3.5Å; M99-L103 WeakPolarHBondContact O-CG 3.42Å; M99-L103 PolarHBondContact O-N 2.9Å; A100-L103 PolarHBondContact O-N 3.35Å; R101-L103 PolarHBondContact O-N 3.01Å; L103-L105 PolarHBondContact O-N 2.62Å; L103-M106 PolarHBondContact O-N 3.5Å; L103-G107 PolarHBondContact O-N 3.26Å; L103-H108 HydrophobicContact CB-CB 3.96Å; L103-H108 HydrophobicContact CD2-CB 4.15Å; L103-H108 VanDerWaalsContact O-CB 3.25Å; L103-H108 WeakPolarHBondContact O-CB 3.37Å; L103-H108 PolarHBondContact O-N 2.69Å
104	A	96.5	Very high	94.7	Very high	5 Å²	5	30 Å²	30	4%	0.041	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-44.1	176.1	0	0	0	0	0	112.2	A100 R101 C102 M106 G107 L227 T230 N259	A100-A104 PolarHBondContact O-N 3.46Å; R101-A104 PolarHBondContact O-N 2.75Å; C102-A104 VanDerWaalsContact C-N 3.33Å; C102-A104 PolarHBondContact O-N 3.37Å; A104-M106 VanDerWaalsContact C-N 3.32Å; A104-M106 PolarHBondContact O-N 3.38Å; A104-G107 PolarHBondContact O-N 2.95Å; A104-L227 HydrophobicContact CB-CD2 4.31Å; A104-T230 HydrophobicContact CB-CG2 3.88Å; A104-N259 WeakPolarHBondContact O-CB 3.45Å; A104-N259 PolarHBondContact O-N 2.84Å
105	L	96.5	Very high	94.4	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.031	15%	0.146	C	C	.	.	H	α-helix	trans	-65.5	-33.5	176.2	-74.3	173.4	0	0	0	113.2	E61 L64 L65 L71 R101 C102 L103 G107 L227 N259 C272	E61-L105 HydrophobicContact CB-CD1 4.26Å; E61-L105 HydrophobicContact CG-CD1 3.61Å; L64-L105 HydrophobicContact CB-CB 4.23Å; L64-L105 HydrophobicContact CB-CD1 4.04Å; L64-L105 HydrophobicContact CD1-CB 3.81Å; L65-L105 HydrophobicContact CD2-CD1 4.44Å; L65-L105 HydrophobicContact CD2-CD2 3.81Å; L65-L105 HydrophobicContact CG-CD1 4.08Å; L65-L105 HydrophobicContact CG-CD2 4.3Å; L71-L105 WeakPolarHBondContact CD1-O 3.45Å; R101-L105 PolarHBondContact O-N 2.9Å; C102-L105 PolarHBondContact O-N 2.95Å; L103-L105 PolarHBondContact O-N 2.62Å; L105-G107 PolarHBondContact O-N 2.94Å; L105-L227 HydrophobicContact CD1-CD1 3.91Å; L105-L227 HydrophobicContact CD2-CD1 4.18Å; L105-L227 HydrophobicContact CD2-CD2 3.98Å; L105-L227 HydrophobicContact CG-CD1 4.07Å; L105-L227 HydrophobicContact CG-CD2 3.86Å; L105-N259 VanDerWaalsContact O-CB 3.22Å; L105-N259 WeakPolarHBondContact O-CB 3.49Å; L105-N259 PolarHBondContact O-ND2 3.18Å; L105-C272 HydrophobicContact CD2-CB 3.95Å
106	M	95.6	Very high	94.2	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.03	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	1	177.1	-68.4	-174.4	80.7	0	0	114.1	L60 L64 L71 L76 V79 M80 L83 C102 L103 A104	L60-M106 HydrophobicContact CD2-SD 4.22Å; L64-M106 HydrophobicContact CD1-CG 3.66Å; L71-M106 HydrophobicContact CD2-CB 4.27Å; L71-M106 HydrophobicContact CD2-CG 4.07Å; L76-M106 WeakPolarHBondContact O-CE 3.37Å; V79-M106 HydrophobicContact CG2-CE 3.97Å; V79-M106 HydrophobicContact CG2-SD 4.33Å; M80-M106 HydrophobicContact CB-CE 4.03Å; M80-M106 HydrophobicContact CB-SD 4.48Å; M80-M106 HydrophobicContact CE-CB 4.02Å; M80-M106 HydrophobicContact CE-CE 4.1Å; M80-M106 HydrophobicContact CG-CE 4.48Å; M80-M106 HydrophobicContact CG-SD 4.48Å; L83-M106 HydrophobicContact CD1-SD 3.39Å; L83-M106 WeakPolarHBondContact CD1-SD 3.47Å; C102-M106 WeakPolarHBondContact O-CB 3.33Å; C102-M106 VanDerWaalsContact O-CG 3.27Å; C102-M106 WeakPolarHBondContact O-CG 3.29Å; C102-M106 PolarHBondContact O-N 3.33Å; L103-M106 PolarHBondContact O-N 3.5Å; A104-M106 VanDerWaalsContact C-N 3.32Å; A104-M106 PolarHBondContact O-N 3.38Å
107	G	94.2	Very high	94.3	Very high	7 Å²	7	24.9 Å²	24.9	7%	0.072	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	23.7	179	0	0	0	0	0	114.1	L103 A104 L105 V109 N259	L103-G107 PolarHBondContact O-N 3.26Å; A104-G107 PolarHBondContact O-N 2.95Å; L105-G107 PolarHBondContact O-N 2.94Å; G107-V109 PolarHBondContact O-N 3.06Å; G107-N259 WeakPolarHBondContact CA-O 3.36Å
108	H	93.1	Very high	94.3	Very high	51 Å²	51	23.7 Å²	23.7	24%	0.236	12%	0.123	C	C	.	.			trans	-71.8	121.8	172.3	174.7	-84.2	0	0	0	110.5	M80 L103	M80-H108 HydrophobicContact SD-CB 4.13Å; L103-H108 HydrophobicContact CB-CB 3.96Å; L103-H108 HydrophobicContact CD2-CB 4.15Å; L103-H108 VanDerWaalsContact O-CB 3.25Å; L103-H108 WeakPolarHBondContact O-CB 3.37Å; L103-H108 PolarHBondContact O-N 2.69Å
109	V	91.5	Very high	94.4	Very high	30 Å²	30	23.5 Å²	23.5	18%	0.182	12%	0.122	C	C	.	.			trans	-121	128.1	-179.9	-168.7	0	0	0	0	109.1	G107 L321 W322	G107-V109 PolarHBondContact O-N 3.06Å; V109-L321 HydrophobicContact CG1-CB 4.26Å; V109-L321 HydrophobicContact CG1-CD2 4.26Å; V109-L321 HydrophobicContact CG2-CB 4.49Å; V109-L321 HydrophobicContact CG2-CD2 3.47Å; V109-L321 VanDerWaalsContact CG2-CD2 3.47Å; V109-W322 HydrophobicContact CG1-CD2 4.32Å; V109-W322 HydrophobicContact CG1-CZ2 3.81Å; V109-W322 VanDerWaalsContact CG1-NE1 3.3Å
110	R	89.9	Confident	94.4	Very high	74 Å²	74	23.5 Å²	23.5	28%	0.279	12%	0.122	S	C	.	.	P	Polyproline II helix	trans	-72.9	148.3	172.6	-64.7	-173	-62.1	129.9	5.4	109.7	E113 P233 H235 W322	R110-E113 IonicContact NH1-OE1 2.73Å; R110-E113 PolarHBondContact NH1-OE1 3.07Å; R110-E113 VanDerWaalsContact NH1-OE1 3.09Å; R110-P233 PolarHBondContact NE-O 3.03Å; R110-P233 PolarHBondContact NH1-O 2.73Å; R110-P233 PolarHBondContact NH2-O 2.89Å; R110-H235 PolarHBondContact NH2-O 3.24Å; R110-W322 PolarHBondContact O-NE1 2.86Å
111	P	89.7	Confident	94.5	Very high	90 Å²	90	23.4 Å²	23.4	58%	0.584	12%	0.121	S	C	*	.	P	Polyproline II helix	trans	-53.9	148.5	169.8	-23.5	34	0	0	0	111.3
112	V	91.9	Very high	94.6	Very high	13 Å²	13	21.2 Å²	21.2	8%	0.079	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-60.1	142.4	172.9	-66.2	0	0	0	0	110.2	I117 D153 W322 A325 K433	V112-I117 HydrophobicContact CG1-CB 4.47Å; V112-I117 HydrophobicContact CG1-CG1 3.96Å; V112-D153 HydrophobicContact CG1-CB 4.47Å; V112-W322 HydrophobicContact CG1-CD2 3.81Å; V112-W322 HydrophobicContact CG1-CG 3.81Å; V112-W322 HydrophobicContact CG1-CZ2 4.39Å; V112-A325 HydrophobicContact CG2-CB 4.49Å; V112-K433 WeakPolarHBondContact O-CE 3.36Å; V112-K433 PolarHBondContact O-NZ 3.21Å
113	E	86.7	Confident	94.5	Very high	113 Å²	113	21.3 Å²	21.3	53%	0.528	11%	0.113	S	C	.	.	S	Bend	trans	-77.5	-29.3	-177.6	-61.5	-68.3	169.7	0	0	111.6	R110 K433	R110-E113 IonicContact NH1-OE1 2.73Å; R110-E113 PolarHBondContact NH1-OE1 3.07Å; R110-E113 VanDerWaalsContact NH1-OE1 3.09Å; E113-K433 WeakPolarHBondContact O-CE 3.37Å
114	G	88.8	Confident	94.3	Very high	6 Å²	6	21.3 Å²	21.3	6%	0.062	11%	0.114	C	C	.	.	S	Bend	trans	-86.3	-176.7	178.9	0	0	0	0	0	114.8	G116 K433	G114-G116 PolarHBondContact O-N 3.12Å; G114-K433 VanDerWaalsContact C-CG 3.41Å; G114-K433 WeakPolarHBondContact O-CE 3.35Å; G114-K433 VanDerWaalsContact O-CG 3.24Å; G114-K433 WeakPolarHBondContact O-CG 3.39Å
115	S	90.4	Very high	93.9	Very high	18 Å²	18	21.1 Å²	21.1	13%	0.126	11%	0.113	C	C	.	.	S	Bend	trans	-64.2	-8.7	169.9	67.1	0	0	0	0	114.5	Q328 Q437	S115-Q328 VanDerWaalsContact OG-CD 3.26Å; S115-Q328 PolarHBondContact OG-OE1 3.18Å; S115-Q437 PolarHBondContact O-NE2 3.36Å
116	G	95.3	Very high	93.4	Very high	2 Å²	2	21.8 Å²	21.8	2%	0.021	12%	0.121	C	C	.	.	S	Bend	trans	-176.3	-176.4	178.1	0	0	0	0	0	110.6	G114 S326	G114-G116 PolarHBondContact O-N 3.12Å; G116-S326 CarbonylContact C-O 3.49Å; G116-S326 WeakPolarHBondContact CA-O 3.48Å
117	I	97.8	Very high	93.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.2	-178	-51.7	165.3	0	0	0	110.3	V112 C318 W322 A325 S326 F327 Q328 C329	V112-I117 HydrophobicContact CG1-CB 4.47Å; V112-I117 HydrophobicContact CG1-CG1 3.96Å; I117-C318 HydrophobicContact CD1-CB 4.2Å; I117-C318 HydrophobicContact CG2-CB 4.07Å; I117-W322 HydrophobicContact CD1-CB 3.85Å; I117-W322 HydrophobicContact CD1-CE3 4.3Å; I117-W322 HydrophobicContact CG1-CB 4.06Å; I117-W322 HydrophobicContact CG1-CD2 4.46Å; I117-W322 HydrophobicContact CG1-CE3 4.22Å; I117-W322 HydrophobicContact CG1-CG 4.44Å; I117-W322 HydrophobicContact CG2-CE3 4.1Å; I117-W322 HydrophobicContact CG2-CZ3 4.25Å; I117-A325 HydrophobicContact CD1-CB 4.03Å; I117-A325 HydrophobicContact CG1-CB 3.76Å; I117-S326 PolarHBondContact N-O 3.31Å; I117-F327 HydrophobicContact CB-CD1 3.79Å; I117-F327 HydrophobicContact CB-CE1 4Å; I117-F327 HydrophobicContact CB-CG 4.45Å; I117-F327 HydrophobicContact CD1-CD1 4.46Å; I117-F327 HydrophobicContact CD1-CE1 4.17Å; I117-F327 HydrophobicContact CD1-CE2 4.48Å; I117-F327 HydrophobicContact CD1-CZ 4.17Å; I117-F327 HydrophobicContact CG2-CD1 3.95Å; I117-F327 HydrophobicContact CG2-CE1 3.76Å; I117-Q328 PolarHBondContact O-N 2.81Å; I117-C329 PolarHBondContact O-N 2.74Å
118	R	98.3	Very high	92.9	Very high	22 Å²	22	22.5 Å²	22.5	8%	0.083	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	109.4	173.4	-59.4	168.6	-61.5	157.1	6.3	109.4	E150 L151 F152 D153 Y154 Q328 C329 L429	R118-E150 PolarHBondContact NH1-O 2.65Å; R118-L151 VanDerWaalsContact CD-O 3.24Å; R118-L151 WeakPolarHBondContact CD-O 3.34Å; R118-L151 VanDerWaalsContact CZ-O 3.27Å; R118-L151 PolarHBondContact NE-O 3.19Å; R118-L151 PolarHBondContact NH1-O 3.36Å; R118-F152 HydrophobicContact CB-CD1 4.17Å; R118-D153 WeakPolarHBondContact CB-OD2 3.33Å; R118-D153 IonicContact CZ-OD1 3.34Å; R118-D153 IonicContact CZ-OD2 3.82Å; R118-D153 PolarHBondContact N-OD2 2.99Å; R118-D153 IonicContact NE-OD1 2.74Å; R118-D153 IonicContact NE-OD2 3.16Å; R118-D153 PolarHBondContact NE-OD2 3.21Å; R118-D153 VanDerWaalsContact NE-OD2 3.16Å; R118-D153 IonicContact NH2-OD1 3.58Å; R118-D153 PolarHBondContact NH2-OD1 3.41Å; R118-D153 IonicContact NH2-OD2 3.43Å; R118-D153 PolarHBondContact O-N 2.88Å; R118-Y154 PolarHBondContact O-N 2.69Å; R118-Q328 HydrophobicContact CG-CB 4.14Å; R118-Q328 HydrophobicContact CG-CG 4.14Å; R118-C329 CarbonylContact C-O 3.6Å; R118-C329 VanDerWaalsContact CA-O 3.29Å; R118-C329 WeakPolarHBondContact CA-O 3.22Å; R118-L429 HydrophobicContact CB-CD2 3.96Å; R118-L429 HydrophobicContact CG-CD2 4.11Å
119	L	98.8	Very high	92.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.8	-175.6	166.4	61.7	0	0	0	110.7	F152 Y154 I156 T311 I315 F327 C329 V330 L331	L119-F152 VanDerWaalsContact C-CD1 3.49Å; L119-Y154 WeakPolarHBondContact CA-O 3.38Å; L119-Y154 HydrophobicContact CD1-CD1 3.37Å; L119-Y154 HydrophobicContact CD1-CE1 4.06Å; L119-Y154 HydrophobicContact CD1-CG 4.3Å; L119-I156 HydrophobicContact CD1-CG2 4.11Å; L119-T311 HydrophobicContact CD2-CG2 4.46Å; L119-I315 HydrophobicContact CD2-CG1 3.68Å; L119-F327 HydrophobicContact CB-CD1 4.49Å; L119-F327 HydrophobicContact CB-CE1 4.27Å; L119-F327 HydrophobicContact CD2-CE1 4.18Å; L119-C329 PolarHBondContact N-O 3.33Å; L119-V330 HydrophobicContact CB-CG1 4.42Å; L119-V330 HydrophobicContact CB-CG2 4.23Å; L119-V330 HydrophobicContact CD2-CG1 3.85Å; L119-V330 HydrophobicContact CD2-CG2 4.3Å; L119-V330 HydrophobicContact CG-CG1 4.13Å; L119-V330 CarbonylContact O-C 3.6Å; L119-V330 WeakPolarHBondContact O-CA 3.23Å; L119-L331 PolarHBondContact O-N 2.71Å
120	L	98.9	Very high	93.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.3	164.2	177.5	56.6	0	0	0	109.4	I122 L136 I148 F152 Y154 I155 I156 L331 L333	L120-I122 HydrophobicContact CD1-CG1 4.22Å; L120-I122 HydrophobicContact CD2-CD1 4.24Å; L120-I122 HydrophobicContact CG-CD1 4.31Å; L120-I122 HydrophobicContact CG-CG1 4.08Å; L120-L136 HydrophobicContact CD1-CD2 4.24Å; L120-L136 HydrophobicContact CD2-CD2 3.96Å; L120-I148 HydrophobicContact CD2-CG2 3.58Å; L120-F152 HydrophobicContact CB-CB 4.41Å; L120-F152 HydrophobicContact CB-CD1 3.65Å; L120-F152 HydrophobicContact CB-CD2 3.88Å; L120-F152 HydrophobicContact CB-CE1 3.75Å; L120-F152 HydrophobicContact CB-CE2 4.02Å; L120-F152 HydrophobicContact CB-CG 3.72Å; L120-F152 HydrophobicContact CB-CZ 3.95Å; L120-F152 HydrophobicContact CD1-CZ 4.24Å; L120-F152 HydrophobicContact CD2-CD2 4.05Å; L120-F152 HydrophobicContact CD2-CE2 3.91Å; L120-F152 HydrophobicContact CD2-CZ 4.4Å; L120-F152 HydrophobicContact CG-CE2 4.39Å; L120-F152 HydrophobicContact CG-CZ 4.44Å; L120-Y154 PolarHBondContact N-O 2.82Å; L120-I155 HydrophobicContact CB-CB 4.41Å; L120-I155 HydrophobicContact CB-CG1 4.18Å; L120-I155 HydrophobicContact CD2-CD1 3.73Å; L120-I155 HydrophobicContact CD2-CG1 4.04Å; L120-I155 HydrophobicContact CG-CD1 4.32Å; L120-I155 HydrophobicContact CG-CG1 4.09Å; L120-I155 CarbonylContact O-C 3.44Å; L120-I155 VanDerWaalsContact O-CA 3.31Å; L120-I155 WeakPolarHBondContact O-CA 3.01Å; L120-I156 PolarHBondContact O-N 2.99Å; L120-L331 HydrophobicContact CD1-CB 4.22Å; L120-L331 HydrophobicContact CD1-CD2 4.07Å; L120-L331 HydrophobicContact CD1-CG 4.11Å; L120-L333 HydrophobicContact CD1-CD1 3.84Å; L120-L333 HydrophobicContact CD1-CG 4Å
121	S	98.8	Very high	93.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129	177	178.5	0	0	0	0	109.4	I156 P310 T311 L331 S332 L333	S121-I156 CarbonylContact C-O 3.58Å; S121-I156 WeakPolarHBondContact CA-O 3.41Å; S121-P310 WeakPolarHBondContact OG-CG 3.26Å; S121-T311 VanDerWaalsContact CB-OG1 3.25Å; S121-T311 WeakPolarHBondContact CB-OG1 3.27Å; S121-T311 VanDerWaalsContact OG-CA 3.24Å; S121-T311 WeakPolarHBondContact OG-CA 3.48Å; S121-T311 PolarHBondContact OG-N 3.39Å; S121-T311 PolarHBondContact OG-OG1 3.49Å; S121-L331 PolarHBondContact N-O 3.41Å; S121-S332 CarbonylContact O-C 3.5Å; S121-S332 WeakPolarHBondContact O-CA 3.16Å; S121-L333 PolarHBondContact O-N 3.28Å
122	I	98.5	Very high	93.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.8	-175.1	-48.3	178.8	0	0	0	109.1	L120 A132 L136 I155 I156 G157 V158 I164 P310	L120-I122 HydrophobicContact CD1-CG1 4.22Å; L120-I122 HydrophobicContact CD2-CD1 4.24Å; L120-I122 HydrophobicContact CG-CD1 4.31Å; L120-I122 HydrophobicContact CG-CG1 4.08Å; I122-A132 HydrophobicContact CG2-CB 4.24Å; I122-L136 HydrophobicContact CD1-CD1 4.18Å; I122-I155 HydrophobicContact CD1-CD1 4.27Å; I122-I156 PolarHBondContact N-O 2.88Å; I122-G157 WeakPolarHBondContact O-CA 3.29Å; I122-V158 PolarHBondContact O-N 3.29Å; I122-I164 HydrophobicContact CD1-CB 4.08Å; I122-I164 HydrophobicContact CD1-CG2 3.49Å; I122-I164 VanDerWaalsContact CD1-CG2 3.49Å; I122-I164 HydrophobicContact CG2-CD1 4.27Å; I122-P310 WeakPolarHBondContact O-CG 3.38Å
123	D	97.2	Very high	94	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.011	6%	0.059	C	C	.	.			trans	-66.4	168.8	-178.2	-66.4	3.2	0	0	0	111.8	G161 N308 N309 L333 G334 N335 T367 R385	D123-G161 WeakPolarHBondContact O-CA 3.33Å; D123-G161 PolarHBondContact O-N 3.16Å; D123-N308 WeakPolarHBondContact CA-O 3.5Å; D123-N308 VanDerWaalsContact CB-O 3.22Å; D123-N308 WeakPolarHBondContact CB-O 2.91Å; D123-N309 WeakPolarHBondContact OD1-CA 3.12Å; D123-L333 WeakPolarHBondContact CB-O 3.42Å; D123-L333 VanDerWaalsContact CG-O 3.25Å; D123-L333 PolarHBondContact N-O 2.91Å; D123-G334 WeakPolarHBondContact OD2-CA 3.48Å; D123-N335 PolarHBondContact O-ND2 3.01Å; D123-T367 HydrophobicContact CB-CG2 4.42Å; D123-T367 WeakPolarHBondContact OD2-CG2 3.47Å; D123-R385 IonicContact OD1-NH1 2.92Å; D123-R385 PolarHBondContact OD1-NH1 3.23Å; D123-R385 IonicContact OD2-CZ 2.83Å; D123-R385 IonicContact OD2-NH1 2.86Å; D123-R385 PolarHBondContact OD2-NH1 3.33Å; D123-R385 IonicContact OD2-NH2 2.61Å; D123-R385 PolarHBondContact OD2-NH2 2.96Å
124	G	92.3	Very high	94.5	Very high	3 Å²	3	5.3 Å²	5.3	3%	0.031	4%	0.035	C	C	.	.			trans	-86.5	171	168.1	0	0	0	0	0	111.7	V158 N308 N335	G124-V158 VanDerWaalsContact CA-O 3.3Å; G124-V158 WeakPolarHBondContact CA-O 3.28Å; G124-N308 VanDerWaalsContact C-OD1 3.27Å; G124-N308 WeakPolarHBondContact CA-OD1 3.03Å; G124-N308 PolarHBondContact N-O 3.25Å; G124-N308 VanDerWaalsContact N-O 3.16Å; G124-N308 PolarHBondContact N-OD1 3.17Å; G124-N308 PolarHBondContact O-ND2 2.86Å; G124-N308 PolarHBondContact O-OD1 3.09Å; G124-N335 PolarHBondContact O-ND2 2.92Å
125	G	87.5	Confident	95	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.01	3%	0.033	C	C	.	.			trans	154.1	10.8	-177.4	0	0	0	0	0	117.2	R128	G125-R128 WeakPolarHBondContact O-CB 3.49Å; G125-R128 WeakPolarHBondContact O-CG 3.28Å; G125-R128 PolarHBondContact O-NE 3.41Å
126	G	86.8	Confident	95.3	Very high	20 Å²	20	4.2 Å²	4.2	21%	0.206	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	61.8	-143.6	-178.2	0	0	0	0	0	112.3	R128 G129 T160 Y182 M396	G126-R128 PolarHBondContact O-N 3.41Å; G126-G129 PolarHBondContact O-N 2.87Å; G126-T160 WeakPolarHBondContact O-CB 3.45Å; G126-T160 WeakPolarHBondContact O-CG2 3.5Å; G126-T160 PolarHBondContact O-OG1 2.84Å; G126-Y182 PolarHBondContact O-OH 3.5Å; G126-M396 CarbonylContact C-O 3.35Å; G126-M396 VanDerWaalsContact CA-O 3.29Å; G126-M396 WeakPolarHBondContact CA-O 3.39Å
127	A	87.7	Confident	95.5	Very high	9 Å²	9	6.3 Å²	6.3	7%	0.074	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-51.6	-20.9	-178.8	0	0	0	0	0	114.4	G129 L130 Y182 M396 E398 L404	A127-G129 PolarHBondContact O-N 3.36Å; A127-G129 VanDerWaalsContact O-N 3.09Å; A127-L130 PolarHBondContact O-N 3.38Å; A127-Y182 WeakPolarHBondContact CA-OH 3.36Å; A127-M396 PolarHBondContact N-O 3.49Å; A127-E398 HydrophobicContact CB-CB 4.34Å; A127-E398 WeakPolarHBondContact CB-O 3.29Å; A127-L404 HydrophobicContact CB-CD2 4.38Å
128	R	91.2	Very high	95.5	Very high	19 Å²	19	8.3 Å²	8.3	7%	0.072	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-60.5	-14.3	173.4	-52.9	-177.6	-76.9	-166.3	0.9	113.8	G125 G126 L130 M131 N335 D362 M407	G125-R128 WeakPolarHBondContact O-CB 3.49Å; G125-R128 WeakPolarHBondContact O-CG 3.28Å; G125-R128 PolarHBondContact O-NE 3.41Å; G126-R128 PolarHBondContact O-N 3.41Å; R128-L130 PolarHBondContact O-N 3.17Å; R128-M131 WeakPolarHBondContact O-CB 3.23Å; R128-M131 PolarHBondContact O-N 3.06Å; R128-N335 HydrophobicContact CB-CB 3.95Å; R128-N335 VanDerWaalsContact CB-O 3.23Å; R128-N335 WeakPolarHBondContact CB-O 3.25Å; R128-D362 IonicContact CZ-OD1 3.87Å; R128-D362 IonicContact NH1-OD1 3.66Å; R128-D362 PolarHBondContact NH1-OD1 3.24Å; R128-D362 IonicContact NH2-OD1 3.16Å; R128-D362 PolarHBondContact NH2-OD1 3.42Å; R128-M407 HydrophobicContact CB-SD 4.45Å; R128-M407 HydrophobicContact CG-CE 4.08Å
129	G	93.6	Very high	95.5	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-53.2	-22.2	170.7	0	0	0	0	0	114.7	G126 A127 M131 A132 L133 Y182 N335	G126-G129 PolarHBondContact O-N 2.87Å; A127-G129 PolarHBondContact O-N 3.36Å; A127-G129 VanDerWaalsContact O-N 3.09Å; G129-M131 PolarHBondContact O-N 3.36Å; G129-A132 PolarHBondContact O-N 3Å; G129-L133 PolarHBondContact O-N 3.34Å; G129-Y182 PolarHBondContact N-OH 3.06Å; G129-N335 WeakPolarHBondContact CA-OD1 3.48Å
130	L	94	Very high	95.4	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-54.9	-35.8	170.1	-75.3	177.6	0	0	0	112.7	A127 R128 L133 E134 Y182 E183 L404 M407 Q408	A127-L130 PolarHBondContact O-N 3.38Å; R128-L130 PolarHBondContact O-N 3.17Å; L130-L133 HydrophobicContact CD2-CD1 4.43Å; L130-L133 WeakPolarHBondContact O-CB 3.41Å; L130-L133 PolarHBondContact O-N 3.12Å; L130-E134 WeakPolarHBondContact O-CG 3.22Å; L130-E134 PolarHBondContact O-N 3.02Å; L130-Y182 HydrophobicContact CD2-CD1 3.49Å; L130-Y182 VanDerWaalsContact CD2-CD1 3.49Å; L130-Y182 HydrophobicContact CD2-CE1 4.07Å; L130-Y182 HydrophobicContact CD2-CG 4.42Å; L130-Y182 HydrophobicContact CG-CD1 3.76Å; L130-Y182 HydrophobicContact CG-CE1 3.8Å; L130-E183 HydrophobicContact CD2-CG 3.85Å; L130-L404 HydrophobicContact CD1-CB 4.13Å; L130-L404 HydrophobicContact CD1-CD2 3.82Å; L130-L404 HydrophobicContact CD1-CG 4.43Å; L130-M407 HydrophobicContact CB-SD 4.11Å; L130-Q408 HydrophobicContact CB-CG 4.44Å; L130-Q408 HydrophobicContact CD1-CG 4.45Å
131	M	95.8	Very high	95.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.9	-42.8	179.8	-58.5	-172.1	91.2	0	0	111.7	R128 G129 L133 E134 V135 P388 M390 M407 D410 A411	R128-M131 WeakPolarHBondContact O-CB 3.23Å; R128-M131 PolarHBondContact O-N 3.06Å; G129-M131 PolarHBondContact O-N 3.36Å; M131-L133 VanDerWaalsContact C-N 3.31Å; M131-L133 PolarHBondContact O-N 3.43Å; M131-E134 PolarHBondContact O-N 3.12Å; M131-V135 WeakPolarHBondContact O-CG2 3.05Å; M131-V135 PolarHBondContact O-N 3.46Å; M131-P388 HydrophobicContact CB-CB 4.45Å; M131-P388 HydrophobicContact CB-CG 4.2Å; M131-P388 HydrophobicContact CE-CB 3.55Å; M131-P388 HydrophobicContact SD-CB 4.42Å; M131-M390 HydrophobicContact CE-CG 4.23Å; M131-M390 HydrophobicContact SD-CG 4.06Å; M131-M407 HydrophobicContact CE-CG 4.38Å; M131-M407 HydrophobicContact CG-CG 3.34Å; M131-M407 HydrophobicContact CG-SD 3.98Å; M131-M407 HydrophobicContact SD-CG 3.77Å; M131-D410 HydrophobicContact CE-CB 3.86Å; M131-A411 HydrophobicContact CB-CB 3.92Å; M131-A411 HydrophobicContact CE-CB 4.18Å; M131-A411 HydrophobicContact CG-CB 4.18Å
132	A	97.6	Very high	95.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.1	-37.7	174.1	0	0	0	0	0	111.4	I122 G129 V135 L136 L333 N335	I122-A132 HydrophobicContact CG2-CB 4.24Å; G129-A132 PolarHBondContact O-N 3Å; A132-V135 PolarHBondContact O-N 2.85Å; A132-L136 WeakPolarHBondContact O-CG 3.31Å; A132-L136 PolarHBondContact O-N 3.18Å; A132-L333 HydrophobicContact CB-CB 4.25Å; A132-L333 HydrophobicContact CB-CD1 4.42Å; A132-N335 VanDerWaalsContact CB-OD1 3.26Å; A132-N335 WeakPolarHBondContact CB-OD1 3.47Å
133	L	97.8	Very high	95	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.3	-36.7	174.4	-70.1	171.1	0	0	0	112.7	G129 L130 M131 L136 Q137 I164 V175 C178 K179 Y182	G129-L133 PolarHBondContact O-N 3.34Å; L130-L133 HydrophobicContact CD2-CD1 4.43Å; L130-L133 WeakPolarHBondContact O-CB 3.41Å; L130-L133 PolarHBondContact O-N 3.12Å; M131-L133 VanDerWaalsContact C-N 3.31Å; M131-L133 PolarHBondContact O-N 3.43Å; L133-L136 PolarHBondContact O-N 2.9Å; L133-Q137 WeakPolarHBondContact O-CB 3.37Å; L133-Q137 PolarHBondContact O-N 3.3Å; L133-I164 HydrophobicContact CD1-CD1 4.41Å; L133-I164 HydrophobicContact CD1-CG1 4.49Å; L133-I164 HydrophobicContact CD2-CD1 4.26Å; L133-I164 HydrophobicContact CD2-CG1 4.19Å; L133-I164 HydrophobicContact CD2-CG2 3.93Å; L133-I164 HydrophobicContact CG-CD1 4.01Å; L133-I164 HydrophobicContact CG-CG1 4.34Å; L133-V175 HydrophobicContact CB-CG1 4.49Å; L133-V175 HydrophobicContact CD2-CG1 4.24Å; L133-V175 VanDerWaalsContact O-CG1 3.31Å; L133-V175 WeakPolarHBondContact O-CG1 3.31Å; L133-C178 HydrophobicContact CD2-CB 4.24Å; L133-K179 HydrophobicContact CB-CD 4.2Å; L133-K179 HydrophobicContact CB-CG 3.71Å; L133-K179 HydrophobicContact CD1-CG 3.92Å; L133-K179 HydrophobicContact CD2-CG 4.48Å; L133-K179 HydrophobicContact CG-CG 4.25Å; L133-Y182 HydrophobicContact CD1-CD1 4.17Å; L133-Y182 HydrophobicContact CD1-CD2 4.09Å; L133-Y182 HydrophobicContact CD1-CG 3.75Å
134	E	97.6	Very high	94.7	Very high	9 Å²	9	26.1 Å²	26.1	4%	0.042	13%	0.133	C	C	.	.	H	α-helix	trans	-64.2	-41	172.5	-65.2	-54	156.1	0	0	112	L130 M131 Q137 N138 K179 Q408 A411 N412	L130-E134 WeakPolarHBondContact O-CG 3.22Å; L130-E134 PolarHBondContact O-N 3.02Å; M131-E134 PolarHBondContact O-N 3.12Å; E134-Q137 PolarHBondContact O-N 3.07Å; E134-N138 PolarHBondContact O-N 3.04Å; E134-N138 PolarHBondContact O-ND2 2.96Å; E134-K179 WeakPolarHBondContact OE1-CE 3.32Å; E134-K179 IonicContact OE1-NZ 3.98Å; E134-K179 PolarHBondContact OE1-NZ 3.2Å; E134-K179 IonicContact OE2-NZ 3.13Å; E134-K179 PolarHBondContact OE2-NZ 2.95Å; E134-Q408 HydrophobicContact CG-CB 4.09Å; E134-Q408 HydrophobicContact CG-CG 4.23Å; E134-Q408 WeakPolarHBondContact OE1-CB 3.23Å; E134-Q408 VanDerWaalsContact OE1-CG 3.26Å; E134-Q408 WeakPolarHBondContact OE1-CG 3.24Å; E134-Q408 PolarHBondContact OE1-NE2 3.29Å; E134-A411 HydrophobicContact CB-CB 3.68Å; E134-A411 HydrophobicContact CG-CB 3.9Å; E134-N412 PolarHBondContact OE2-ND2 3.06Å
135	V	98.4	Very high	94.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-62.1	-45.2	175.1	178	0	0	0	0	110.6	M131 A132 Q137 N138 L139 L333 M386 P388 V415 L422	M131-V135 WeakPolarHBondContact O-CG2 3.05Å; M131-V135 PolarHBondContact O-N 3.46Å; A132-V135 PolarHBondContact O-N 2.85Å; V135-Q137 PolarHBondContact O-N 3.48Å; V135-N138 PolarHBondContact O-N 3.13Å; V135-L139 PolarHBondContact O-N 2.86Å; V135-L333 HydrophobicContact CB-CD2 4.49Å; V135-L333 HydrophobicContact CG1-CD2 3.82Å; V135-M386 HydrophobicContact CG1-CB 3.98Å; V135-M386 HydrophobicContact CG1-CE 4.32Å; V135-M386 HydrophobicContact CG1-CG 4.2Å; V135-P388 HydrophobicContact CG2-CG 3.89Å; V135-V415 HydrophobicContact CB-CG2 4.33Å; V135-V415 HydrophobicContact CG2-CG2 3.79Å; V135-L422 HydrophobicContact CG1-CD1 4.23Å
136	L	98.5	Very high	95	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-36.5	177.8	-72.3	169.5	0	0	0	112.5	L120 I122 A132 L133 N138 L139 E140 I148 I164 L168 V175 L333	L120-L136 HydrophobicContact CD1-CD2 4.24Å; L120-L136 HydrophobicContact CD2-CD2 3.96Å; I122-L136 HydrophobicContact CD1-CD1 4.18Å; A132-L136 WeakPolarHBondContact O-CG 3.31Å; A132-L136 PolarHBondContact O-N 3.18Å; L133-L136 PolarHBondContact O-N 2.9Å; L136-N138 VanDerWaalsContact C-N 3.29Å; L136-N138 PolarHBondContact O-N 2.97Å; L136-L139 HydrophobicContact CD2-CD2 4.34Å; L136-L139 WeakPolarHBondContact O-CB 3.23Å; L136-L139 PolarHBondContact O-N 3.15Å; L136-E140 WeakPolarHBondContact O-CB 3.45Å; L136-E140 PolarHBondContact O-N 3.5Å; L136-I148 HydrophobicContact CB-CD1 4.47Å; L136-I148 HydrophobicContact CD2-CD1 3.88Å; L136-I148 HydrophobicContact CD2-CG1 4.38Å; L136-I164 HydrophobicContact CD1-CG2 4.25Å; L136-L168 HydrophobicContact CD1-CD1 3.65Å; L136-V175 HydrophobicContact CB-CG1 4.19Å; L136-V175 HydrophobicContact CB-CG2 3.72Å; L136-L333 HydrophobicContact CD1-CD1 3.84Å; L136-L333 HydrophobicContact CD2-CD1 3.55Å; L136-L333 HydrophobicContact CG-CD1 3.46Å; L136-L333 VanDerWaalsContact CG-CD1 3.46Å
137	Q	97.6	Very high	95.5	Very high	46 Å²	46	37.1 Å²	37.1	22%	0.215	19%	0.188	C	C	.	.	H	α-helix	trans	-62.8	-40.9	177.5	-176.3	64.6	72.5	0	0	110.7	L133 E134 V135 S141 V175	L133-Q137 WeakPolarHBondContact O-CB 3.37Å; L133-Q137 PolarHBondContact O-N 3.3Å; E134-Q137 PolarHBondContact O-N 3.07Å; V135-Q137 PolarHBondContact O-N 3.48Å; Q137-S141 WeakPolarHBondContact O-CB 3.47Å; Q137-S141 PolarHBondContact O-N 2.95Å; Q137-S141 PolarHBondContact O-OG 2.88Å; Q137-V175 HydrophobicContact CB-CB 4.48Å; Q137-V175 HydrophobicContact CB-CG1 3.75Å
138	N	97.7	Very high	96	Very high	42 Å²	42	36.8 Å²	36.8	23%	0.225	19%	0.185	C	C	.	.	H	α-helix	trans	-69.3	-37.6	175.3	-77.8	-91.8	0	0	0	111.7	E134 V135 L136 S141 Y142 N412 V415 L422	E134-N138 PolarHBondContact O-N 3.04Å; E134-N138 PolarHBondContact O-ND2 2.96Å; V135-N138 PolarHBondContact O-N 3.13Å; L136-N138 VanDerWaalsContact C-N 3.29Å; L136-N138 PolarHBondContact O-N 2.97Å; N138-S141 PolarHBondContact O-N 2.88Å; N138-Y142 PolarHBondContact O-N 3.03Å; N138-N412 PolarHBondContact ND2-OD1 3.28Å; N138-V415 HydrophobicContact CB-CG1 3.75Å; N138-L422 HydrophobicContact CB-CD2 3.65Å
139	L	98.3	Very high	96.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.7	-51.5	174.1	-178.1	63.5	0	0	0	111.8	V135 L136 S141 Y142 C143 I148 L151 F152 L331 L422 A426 L429	V135-L139 PolarHBondContact O-N 2.86Å; L136-L139 HydrophobicContact CD2-CD2 4.34Å; L136-L139 WeakPolarHBondContact O-CB 3.23Å; L136-L139 PolarHBondContact O-N 3.15Å; L139-S141 VanDerWaalsContact C-N 3.25Å; L139-S141 PolarHBondContact O-N 2.87Å; L139-Y142 PolarHBondContact O-N 3.43Å; L139-Y142 VanDerWaalsContact O-N 3.12Å; L139-C143 WeakPolarHBondContact O-CB 3.38Å; L139-C143 PolarHBondContact O-N 2.96Å; L139-I148 HydrophobicContact CD2-CD1 4.15Å; L139-L151 HydrophobicContact CD2-CD1 4.47Å; L139-L151 HydrophobicContact CG-CD1 4.35Å; L139-F152 HydrophobicContact CD2-CE2 4.12Å; L139-F152 HydrophobicContact CD2-CZ 4.05Å; L139-L331 HydrophobicContact CD2-CD2 3.61Å; L139-L422 HydrophobicContact CB-CD1 4.11Å; L139-L422 HydrophobicContact CD1-CD1 4.12Å; L139-A426 HydrophobicContact CD1-CB 3.74Å; L139-L429 HydrophobicContact CD1-CD1 4.15Å; L139-L429 HydrophobicContact CD2-CD1 4.13Å
140	E	97.5	Very high	96.4	Very high	27 Å²	27	40.4 Å²	40.4	13%	0.126	20%	0.203	C	C	.	.	H	α-helix	trans	-60	-38.2	179.3	-165	178.6	170.2	0	0	110.9	L136 C143 Y146 I148 N174 V175	L136-E140 WeakPolarHBondContact O-CB 3.45Å; L136-E140 PolarHBondContact O-N 3.5Å; E140-C143 CarbonylContact O-C 3.45Å; E140-C143 PolarHBondContact O-N 3.32Å; E140-Y146 WeakPolarHBondContact CG-O 3.48Å; E140-I148 HydrophobicContact CB-CD1 4.15Å; E140-N174 VanDerWaalsContact OE1-CB 3.23Å; E140-N174 WeakPolarHBondContact OE1-CB 3.38Å; E140-V175 HydrophobicContact CB-CG2 4.47Å; E140-V175 VanDerWaalsContact OE2-CB 3.22Å; E140-V175 WeakPolarHBondContact OE2-CB 3.46Å; E140-V175 WeakPolarHBondContact OE2-CG2 3.46Å; E140-V175 PolarHBondContact OE2-N 2.86Å
141	S	95.9	Very high	96.5	Very high	75 Å²	75	40.4 Å²	40.4	52%	0.524	20%	0.203	S	C	.	.	H	α-helix	trans	-66.3	-37	176	-56	0	0	0	0	112.8	Q137 N138 L139	Q137-S141 WeakPolarHBondContact O-CB 3.47Å; Q137-S141 PolarHBondContact O-N 2.95Å; Q137-S141 PolarHBondContact O-OG 2.88Å; N138-S141 PolarHBondContact O-N 2.88Å; L139-S141 VanDerWaalsContact C-N 3.25Å; L139-S141 PolarHBondContact O-N 2.87Å
142	Y	95.5	Very high	96.6	Very high	105 Å²	105	40.6 Å²	40.6	41%	0.412	20%	0.204	S	C	.	.	H	α-helix	trans	-75	-37.7	177.8	-169	-90.1	0	0	0	112.1	N138 L139 F144 Q423 A426	N138-Y142 PolarHBondContact O-N 3.03Å; L139-Y142 PolarHBondContact O-N 3.43Å; L139-Y142 VanDerWaalsContact O-N 3.12Å; Y142-F144 PolarHBondContact O-N 3.34Å; Y142-Q423 HydrophobicContact CD2-CG 4.02Å; Y142-Q423 HydrophobicContact CE1-CB 4.39Å; Y142-Q423 HydrophobicContact CE1-CG 4.35Å; Y142-Q423 HydrophobicContact CE2-CB 4.32Å; Y142-Q423 HydrophobicContact CE2-CG 3.5Å; Y142-Q423 VanDerWaalsContact CE2-CG 3.5Å; Y142-A426 HydrophobicContact CD1-CB 3.33Å; Y142-A426 HydrophobicContact CE1-CB 3.74Å; Y142-A426 HydrophobicContact CG-CB 4.31Å
143	C	95.9	Very high	96.7	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.027	21%	0.207	C	C	.	.	S	Bend	trans	-83.3	53.3	173.4	-69.5	0	0	0	0	111.5	L139 E140 G145 Y146 L151 M430	L139-C143 WeakPolarHBondContact O-CB 3.38Å; L139-C143 PolarHBondContact O-N 2.96Å; E140-C143 CarbonylContact O-C 3.45Å; E140-C143 PolarHBondContact O-N 3.32Å; C143-G145 PolarHBondContact O-N 3.15Å; C143-Y146 PolarHBondContact O-N 2.96Å; C143-Y146 VanDerWaalsContact O-N 3.07Å; C143-L151 HydrophobicContact CB-CD1 3.75Å; C143-L151 HydrophobicContact CB-CD2 3.89Å; C143-L151 HydrophobicContact CB-CG 4.45Å; C143-M430 HydrophobicContact CB-SD 4.34Å
144	F	90.7	Very high	96.7	Very high	187 Å²	187	41.2 Å²	41.2	82%	0.82	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.8	128.9	-172.9	-178.8	-95.5	0	0	0	112.9	Y142	Y142-F144 PolarHBondContact O-N 3.34Å
145	G	92.1	Very high	96.8	Very high	66 Å²	66	40.8 Å²	40.8	68%	0.68	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.2	-4.7	179.8	0	0	0	0	0	115.3	C143	C143-G145 PolarHBondContact O-N 3.15Å
146	Y	95.5	Very high	96.8	Very high	108 Å²	108	40.8 Å²	40.8	42%	0.424	21%	0.205	S	C	.	.			trans	-116	132.2	178.7	-64.6	-96.5	0	0	0	111.3	E140 C143 E150 L151 M430	E140-Y146 WeakPolarHBondContact CG-O 3.48Å; C143-Y146 PolarHBondContact O-N 2.96Å; C143-Y146 VanDerWaalsContact O-N 3.07Å; Y146-E150 HydrophobicContact CD1-CB 4.07Å; Y146-L151 HydrophobicContact CD1-CD2 4.3Å; Y146-L151 HydrophobicContact CG-CD2 3.96Å; Y146-M430 HydrophobicContact CD1-CE 4.49Å; Y146-M430 HydrophobicContact CD2-CE 3.54Å; Y146-M430 HydrophobicContact CD2-SD 4.18Å; Y146-M430 HydrophobicContact CE1-CE 4.17Å; Y146-M430 HydrophobicContact CE2-CE 3.16Å; Y146-M430 HydrophobicContact CE2-SD 4.34Å; Y146-M430 HydrophobicContact CG-CE 4.21Å; Y146-M430 HydrophobicContact CG-SD 4.42Å
147	R	96.4	Very high	96.8	Very high	81 Å²	81	40.8 Å²	40.8	31%	0.306	21%	0.205	S	C	.	.			trans	-75.3	157.9	165.1	-62	-84.2	179.5	140.7	-8.1	109.4	H149 E150 L151 N174 E177	R147-H149 VanDerWaalsContact C-N 3.27Å; R147-H149 PolarHBondContact O-N 3.36Å; R147-E150 HydrophobicContact CB-CG 4.27Å; R147-E150 WeakPolarHBondContact CB-OE2 3.45Å; R147-E150 PolarHBondContact N-OE2 2.73Å; R147-E150 WeakPolarHBondContact O-CB 3.24Å; R147-E150 PolarHBondContact O-N 2.88Å; R147-L151 PolarHBondContact O-N 3.46Å; R147-N174 VanDerWaalsContact CZ-CB 3.49Å; R147-N174 VanDerWaalsContact NH1-CG 3.33Å; R147-N174 PolarHBondContact NH1-ND2 3.29Å; R147-N174 PolarHBondContact NH2-ND2 3.46Å; R147-N174 VanDerWaalsContact NH2-ND2 3.12Å; R147-E177 IonicContact NH1-OE2 2.86Å; R147-E177 PolarHBondContact NH1-OE2 2.74Å
148	I	98	Very high	96.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-53.1	-42.9	178	-64.7	-58.4	0	0	0	112.3	L120 L136 L139 E140 E150 L151 F152 L168 V175	L120-I148 HydrophobicContact CD2-CG2 3.58Å; L136-I148 HydrophobicContact CB-CD1 4.47Å; L136-I148 HydrophobicContact CD2-CD1 3.88Å; L136-I148 HydrophobicContact CD2-CG1 4.38Å; L139-I148 HydrophobicContact CD2-CD1 4.15Å; E140-I148 HydrophobicContact CB-CD1 4.15Å; I148-E150 PolarHBondContact O-N 3.34Å; I148-E150 VanDerWaalsContact O-N 3.1Å; I148-L151 HydrophobicContact CD1-CD1 4.27Å; I148-L151 PolarHBondContact O-N 2.72Å; I148-L151 VanDerWaalsContact O-N 3.1Å; I148-F152 HydrophobicContact CG2-CD2 4.03Å; I148-F152 HydrophobicContact CG2-CE2 4.14Å; I148-F152 WeakPolarHBondContact O-CD2 3.5Å; I148-L168 HydrophobicContact CB-CD1 4.45Å; I148-L168 HydrophobicContact CG1-CD1 4.36Å; I148-L168 HydrophobicContact CG2-CB 4.42Å; I148-L168 HydrophobicContact CG2-CD1 4.24Å; I148-V175 HydrophobicContact CD1-CG2 4.24Å; I148-V175 HydrophobicContact CG1-CG2 3.59Å
149	H	96.7	Very high	96.6	Very high	15 Å²	15	37 Å²	37	7%	0.069	19%	0.187	C	C	.	.	H	α-helix	trans	-65	-15.4	-179.8	77.4	81.1	0	0	0	114.6	R147 R172 I236	R147-H149 VanDerWaalsContact C-N 3.27Å; R147-H149 PolarHBondContact O-N 3.36Å; H149-R172 VanDerWaalsContact CD2-CB 3.49Å; H149-R172 WeakPolarHBondContact CD2-CB 3.33Å; H149-I236 HydrophobicContact CB-CG2 4.1Å
150	E	96.3	Very high	96.4	Very high	81 Å²	81	37.3 Å²	37.3	38%	0.379	19%	0.189	S	C	.	.	H	α-helix	trans	-90.3	-21.2	178.6	-56.4	177.7	107.5	0	0	111.5	R118 Y146 R147 I148	R118-E150 PolarHBondContact NH1-O 2.65Å; Y146-E150 HydrophobicContact CD1-CB 4.07Å; R147-E150 HydrophobicContact CB-CG 4.27Å; R147-E150 WeakPolarHBondContact CB-OE2 3.45Å; R147-E150 PolarHBondContact N-OE2 2.73Å; R147-E150 WeakPolarHBondContact O-CB 3.24Å; R147-E150 PolarHBondContact O-N 2.88Å; I148-E150 PolarHBondContact O-N 3.34Å; I148-E150 VanDerWaalsContact O-N 3.1Å
151	L	97.1	Very high	96.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-82.2	-20.9	179.9	-62.5	178.8	0	0	0	113.2	R118 L139 C143 Y146 R147 I148 L429 M430	R118-L151 VanDerWaalsContact CD-O 3.24Å; R118-L151 WeakPolarHBondContact CD-O 3.34Å; R118-L151 VanDerWaalsContact CZ-O 3.27Å; R118-L151 PolarHBondContact NE-O 3.19Å; R118-L151 PolarHBondContact NH1-O 3.36Å; L139-L151 HydrophobicContact CD2-CD1 4.47Å; L139-L151 HydrophobicContact CG-CD1 4.35Å; C143-L151 HydrophobicContact CB-CD1 3.75Å; C143-L151 HydrophobicContact CB-CD2 3.89Å; C143-L151 HydrophobicContact CB-CG 4.45Å; Y146-L151 HydrophobicContact CD1-CD2 4.3Å; Y146-L151 HydrophobicContact CG-CD2 3.96Å; R147-L151 PolarHBondContact O-N 3.46Å; I148-L151 HydrophobicContact CD1-CD1 4.27Å; I148-L151 PolarHBondContact O-N 2.72Å; I148-L151 VanDerWaalsContact O-N 3.1Å; L151-L429 WeakPolarHBondContact O-CD2 3.38Å; L151-M430 HydrophobicContact CD2-SD 3.43Å; L151-M430 WeakPolarHBondContact CD2-SD 3.42Å
152	F	98.1	Very high	96.5	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.018	16%	0.158	C	C	.	.			trans	-124.7	150.2	-173	-62.1	-83.1	0	0	0	111.6	R118 L119 L120 L139 I148 I236 L331 L429	R118-F152 HydrophobicContact CB-CD1 4.17Å; L119-F152 VanDerWaalsContact C-CD1 3.49Å; L120-F152 HydrophobicContact CB-CB 4.41Å; L120-F152 HydrophobicContact CB-CD1 3.65Å; L120-F152 HydrophobicContact CB-CD2 3.88Å; L120-F152 HydrophobicContact CB-CE1 3.75Å; L120-F152 HydrophobicContact CB-CE2 4.02Å; L120-F152 HydrophobicContact CB-CG 3.72Å; L120-F152 HydrophobicContact CB-CZ 3.95Å; L120-F152 HydrophobicContact CD1-CZ 4.24Å; L120-F152 HydrophobicContact CD2-CD2 4.05Å; L120-F152 HydrophobicContact CD2-CE2 3.91Å; L120-F152 HydrophobicContact CD2-CZ 4.4Å; L120-F152 HydrophobicContact CG-CE2 4.39Å; L120-F152 HydrophobicContact CG-CZ 4.44Å; L139-F152 HydrophobicContact CD2-CE2 4.12Å; L139-F152 HydrophobicContact CD2-CZ 4.05Å; I148-F152 HydrophobicContact CG2-CD2 4.03Å; I148-F152 HydrophobicContact CG2-CE2 4.14Å; I148-F152 WeakPolarHBondContact O-CD2 3.5Å; F152-I236 HydrophobicContact CB-CD1 3.6Å; F152-I236 VanDerWaalsContact O-CD1 3.31Å; F152-I236 WeakPolarHBondContact O-CD1 3.46Å; F152-I236 WeakPolarHBondContact O-CG1 3.33Å; F152-L331 HydrophobicContact CE1-CB 4Å; F152-L331 HydrophobicContact CZ-CB 4.14Å; F152-L331 HydrophobicContact CZ-CD2 3.88Å; F152-L429 HydrophobicContact CD1-CD2 3.73Å; F152-L429 HydrophobicContact CE1-CD1 3.94Å; F152-L429 HydrophobicContact CE1-CD2 3.36Å; F152-L429 HydrophobicContact CE1-CG 4.29Å; F152-L429 HydrophobicContact CE2-CD1 4.26Å; F152-L429 HydrophobicContact CZ-CD1 3.56Å; F152-L429 HydrophobicContact CZ-CD2 3.85Å; F152-L429 HydrophobicContact CZ-CG 4.37Å
153	D	97.9	Very high	96.6	Very high	13 Å²	13	27.9 Å²	27.9	7%	0.07	14%	0.141	C	C	.	.	S	Bend	trans	-92	-23.3	172.8	-50.8	-64.2	0	0	0	110.8	V112 R118 I236 K237 W322	V112-D153 HydrophobicContact CG1-CB 4.47Å; R118-D153 WeakPolarHBondContact CB-OD2 3.33Å; R118-D153 IonicContact CZ-OD1 3.34Å; R118-D153 IonicContact CZ-OD2 3.82Å; R118-D153 PolarHBondContact N-OD2 2.99Å; R118-D153 IonicContact NE-OD1 2.74Å; R118-D153 IonicContact NE-OD2 3.16Å; R118-D153 PolarHBondContact NE-OD2 3.21Å; R118-D153 VanDerWaalsContact NE-OD2 3.16Å; R118-D153 IonicContact NH2-OD1 3.58Å; R118-D153 PolarHBondContact NH2-OD1 3.41Å; R118-D153 IonicContact NH2-OD2 3.43Å; R118-D153 PolarHBondContact O-N 2.88Å; D153-I236 VanDerWaalsContact C-CG1 3.42Å; D153-I236 WeakPolarHBondContact O-CG1 3.41Å; D153-K237 PolarHBondContact O-N 3.33Å; D153-W322 HydrophobicContact CB-CH2 4.06Å; D153-W322 HydrophobicContact CB-CZ2 4.34Å
154	Y	98.8	Very high	96.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	134.2	-180	-169	-87.5	0	0	0	111.7	R118 L119 L120 I156 K237 Y258 E317 L321 W322	R118-Y154 PolarHBondContact O-N 2.69Å; L119-Y154 WeakPolarHBondContact CA-O 3.38Å; L119-Y154 HydrophobicContact CD1-CD1 3.37Å; L119-Y154 HydrophobicContact CD1-CE1 4.06Å; L119-Y154 HydrophobicContact CD1-CG 4.3Å; L120-Y154 PolarHBondContact N-O 2.82Å; Y154-I156 HydrophobicContact CD1-CB 4.32Å; Y154-I156 HydrophobicContact CE1-CB 3.61Å; Y154-I156 HydrophobicContact CE1-CD1 4.25Å; Y154-I156 HydrophobicContact CE1-CG1 4.42Å; Y154-I156 HydrophobicContact CE1-CG2 4.02Å; Y154-K237 CarbonylContact C-O 3.54Å; Y154-K237 WeakPolarHBondContact CA-O 3.31Å; Y154-K237 HydrophobicContact CD2-CB 3.31Å; Y154-K237 HydrophobicContact CD2-CG 4.33Å; Y154-K237 HydrophobicContact CE2-CB 3.93Å; Y154-K237 HydrophobicContact CG-CB 4.15Å; Y154-Y258 HydrophobicContact CD2-CE1 4.31Å; Y154-Y258 HydrophobicContact CE2-CD1 4.31Å; Y154-Y258 AromaticContact CE2-CE1 3.36Å; Y154-Y258 HydrophobicContact CE2-CE1 3.36Å; Y154-Y258 AromaticContact CE2-CZ 3.54Å; Y154-Y258 WeakPolarHBondContact CE2-OH 3.41Å; Y154-Y258 PolarHBondContact OH-OH 3.23Å; Y154-E317 HydrophobicContact CE2-CB 4.19Å; Y154-L321 HydrophobicContact CD2-CD1 3.89Å; Y154-L321 HydrophobicContact CE2-CD1 3.97Å; Y154-W322 HydrophobicContact CD2-CZ3 4.43Å
155	I	98.9	Very high	97	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.1	172	-174.6	171.7	0	0	0	109.7	L120 I122 A165 L168 I236 K237 V238 G239	L120-I155 HydrophobicContact CB-CB 4.41Å; L120-I155 HydrophobicContact CB-CG1 4.18Å; L120-I155 HydrophobicContact CD2-CD1 3.73Å; L120-I155 HydrophobicContact CD2-CG1 4.04Å; L120-I155 HydrophobicContact CG-CD1 4.32Å; L120-I155 HydrophobicContact CG-CG1 4.09Å; L120-I155 CarbonylContact O-C 3.44Å; L120-I155 VanDerWaalsContact O-CA 3.31Å; L120-I155 WeakPolarHBondContact O-CA 3.01Å; I122-I155 HydrophobicContact CD1-CD1 4.27Å; I155-A165 HydrophobicContact CD1-CB 4.06Å; I155-A165 HydrophobicContact CG1-CB 3.93Å; I155-L168 HydrophobicContact CD1-CB 4.33Å; I155-I236 HydrophobicContact CB-CD1 3.9Å; I155-I236 HydrophobicContact CG2-CD1 3.84Å; I155-I236 HydrophobicContact CG2-CG1 4.37Å; I155-I236 HydrophobicContact CG2-CG2 4.23Å; I155-K237 PolarHBondContact N-O 2.9Å; I155-V238 HydrophobicContact CG2-CB 4.28Å; I155-V238 HydrophobicContact CG2-CG1 4.28Å; I155-V238 HydrophobicContact CG2-CG2 3.85Å; I155-V238 CarbonylContact O-C 3.44Å; I155-V238 WeakPolarHBondContact O-CA 3.41Å; I155-G239 PolarHBondContact O-N 3.11Å
156	I	98.8	Very high	97.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.5	174.3	-168.3	167.8	0	0	0	111.6	L119 L120 S121 I122 Y154 G239 V241 P310 V313	L119-I156 HydrophobicContact CD1-CG2 4.11Å; L120-I156 PolarHBondContact O-N 2.99Å; S121-I156 CarbonylContact C-O 3.58Å; S121-I156 WeakPolarHBondContact CA-O 3.41Å; I122-I156 PolarHBondContact N-O 2.88Å; Y154-I156 HydrophobicContact CD1-CB 4.32Å; Y154-I156 HydrophobicContact CE1-CB 3.61Å; Y154-I156 HydrophobicContact CE1-CD1 4.25Å; Y154-I156 HydrophobicContact CE1-CG1 4.42Å; Y154-I156 HydrophobicContact CE1-CG2 4.02Å; I156-G239 VanDerWaalsContact CA-O 3.28Å; I156-G239 WeakPolarHBondContact CA-O 3.33Å; I156-V241 HydrophobicContact CD1-CG2 3.7Å; I156-V241 HydrophobicContact CG1-CG2 3.91Å; I156-P310 HydrophobicContact CD1-CB 4.21Å; I156-P310 HydrophobicContact CG1-CB 4.12Å; I156-P310 HydrophobicContact CG2-CB 4.35Å; I156-P310 HydrophobicContact CG2-CG 4.38Å; I156-V313 HydrophobicContact CD1-CB 4.15Å; I156-V313 HydrophobicContact CD1-CG1 3.78Å
157	G	98.6	Very high	97.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	158	177.7	0	0	0	0	0	112.7	I122 G161 G239 M240 V241	I122-G157 WeakPolarHBondContact O-CA 3.29Å; G157-G161 VanDerWaalsContact CA-C 3.41Å; G157-G161 WeakPolarHBondContact CA-O 3.42Å; G157-G239 PolarHBondContact N-O 3.35Å; G157-G239 VanDerWaalsContact N-O 3.1Å; G157-M240 WeakPolarHBondContact O-CA 3.4Å; G157-V241 PolarHBondContact O-N 3.02Å
158	V	97.5	Very high	97.6	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.1	174.3	64.3	0	0	0	0	109.3	I122 G124 T160 G161 A162 V241 T307 N308 P310	I122-V158 PolarHBondContact O-N 3.29Å; G124-V158 VanDerWaalsContact CA-O 3.3Å; G124-V158 WeakPolarHBondContact CA-O 3.28Å; V158-T160 PolarHBondContact O-N 3.49Å; V158-G161 WeakPolarHBondContact O-CA 3.37Å; V158-G161 PolarHBondContact O-N 2.89Å; V158-A162 PolarHBondContact O-N 3.14Å; V158-V241 HydrophobicContact CB-CB 4.16Å; V158-V241 HydrophobicContact CG2-CB 4.16Å; V158-V241 HydrophobicContact CG2-CG1 4.5Å; V158-T307 WeakPolarHBondContact CG1-O 3.27Å; V158-N308 VanDerWaalsContact CG1-O 3.26Å; V158-N308 WeakPolarHBondContact CG1-O 3.39Å; V158-P310 HydrophobicContact CB-CB 4.46Å; V158-P310 HydrophobicContact CB-CG 4.25Å; V158-P310 HydrophobicContact CG1-CB 4.48Å; V158-P310 HydrophobicContact CG1-CG 3.91Å
159	S	94.3	Very high	97.5	Very high	9 Å²	9	6.8 Å²	6.8	6%	0.063	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-126.8	-177.4	-167.4	0	0	0	0	111.3	G161 A162 V163 S283 D302	S159-G161 PolarHBondContact O-N 3.27Å; S159-G161 VanDerWaalsContact O-N 3.14Å; S159-A162 WeakPolarHBondContact O-CA 3.38Å; S159-A162 VanDerWaalsContact O-CB 3.24Å; S159-A162 WeakPolarHBondContact O-CB 3.26Å; S159-A162 PolarHBondContact O-N 3.44Å; S159-V163 PolarHBondContact O-N 2.82Å; S159-S283 VanDerWaalsContact CA-O 3.29Å; S159-S283 WeakPolarHBondContact CA-O 3.4Å; S159-S283 PolarHBondContact N-O 2.83Å; S159-S283 PolarHBondContact N-OG 2.7Å; S159-D302 VanDerWaalsContact CB-OD1 3.28Å; S159-D302 WeakPolarHBondContact CB-OD1 3.36Å; S159-D302 VanDerWaalsContact CB-OD2 3.26Å; S159-D302 WeakPolarHBondContact CB-OD2 3.4Å; S159-D302 PolarHBondContact OG-OD2 3.13Å
160	T	93.7	Very high	97.6	Very high	7 Å²	7	6.2 Å²	6.2	4%	0.043	3%	0.033	C	C	.	.	H	α-helix	trans	-51	-34.5	170.5	-173.1	0	0	0	0	113.9	G126 V158 A162 V163 I164 Y182 N335	G126-T160 WeakPolarHBondContact O-CB 3.45Å; G126-T160 WeakPolarHBondContact O-CG2 3.5Å; G126-T160 PolarHBondContact O-OG1 2.84Å; V158-T160 PolarHBondContact O-N 3.49Å; T160-A162 VanDerWaalsContact C-N 3.26Å; T160-A162 PolarHBondContact O-N 3.06Å; T160-V163 WeakPolarHBondContact O-CB 3.41Å; T160-V163 PolarHBondContact O-N 3.41Å; T160-I164 WeakPolarHBondContact O-CG1 3.24Å; T160-I164 PolarHBondContact O-N 3.45Å; T160-Y182 WeakPolarHBondContact OG1-CE2 3.43Å; T160-Y182 VanDerWaalsContact OG1-CZ 3.27Å; T160-Y182 PolarHBondContact OG1-OH 3.06Å; T160-N335 VanDerWaalsContact CG2-ND2 3.33Å; T160-N335 WeakPolarHBondContact CG2-ND2 3.3Å
161	G	97.1	Very high	97.6	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-64.4	-32.7	176	0	0	0	0	0	112	D123 G157 V158 S159 I164 A165	D123-G161 WeakPolarHBondContact O-CA 3.33Å; D123-G161 PolarHBondContact O-N 3.16Å; G157-G161 VanDerWaalsContact CA-C 3.41Å; G157-G161 WeakPolarHBondContact CA-O 3.42Å; V158-G161 WeakPolarHBondContact O-CA 3.37Å; V158-G161 PolarHBondContact O-N 2.89Å; S159-G161 PolarHBondContact O-N 3.27Å; S159-G161 VanDerWaalsContact O-N 3.14Å; G161-I164 PolarHBondContact O-N 3.27Å; G161-A165 VanDerWaalsContact O-CB 3.31Å; G161-A165 WeakPolarHBondContact O-CB 3.34Å; G161-A165 PolarHBondContact O-N 2.8Å
162	A	98.3	Very high	97.6	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-68.2	-41.7	174.6	0	0	0	0	0	111.4	V158 S159 T160 I164 A165 A166 M240 S283	V158-A162 PolarHBondContact O-N 3.14Å; S159-A162 WeakPolarHBondContact O-CA 3.38Å; S159-A162 VanDerWaalsContact O-CB 3.24Å; S159-A162 WeakPolarHBondContact O-CB 3.26Å; S159-A162 PolarHBondContact O-N 3.44Å; T160-A162 VanDerWaalsContact C-N 3.26Å; T160-A162 PolarHBondContact O-N 3.06Å; A162-I164 VanDerWaalsContact C-N 3.33Å; A162-I164 PolarHBondContact O-N 2.83Å; A162-A165 PolarHBondContact O-N 2.83Å; A162-A166 PolarHBondContact O-N 3.44Å; A162-M240 HydrophobicContact CB-CB 3.82Å; A162-M240 HydrophobicContact CB-CG 3.7Å; A162-M240 HydrophobicContact CB-SD 3.75Å; A162-S283 WeakPolarHBondContact CB-OG 3.36Å
163	V	96.9	Very high	97.6	Very high	9 Å²	9	7.3 Å²	7.3	6%	0.055	4%	0.038	C	C	.	.	H	α-helix	trans	-56.9	-48.7	172.2	179.9	0	0	0	0	110.2	S159 T160 A165 A166 L167 W213 L217 M221 A280	S159-V163 PolarHBondContact O-N 2.82Å; T160-V163 WeakPolarHBondContact O-CB 3.41Å; T160-V163 PolarHBondContact O-N 3.41Å; V163-A165 VanDerWaalsContact C-N 3.34Å; V163-A165 PolarHBondContact O-N 3.04Å; V163-A166 PolarHBondContact O-N 3.3Å; V163-L167 HydrophobicContact CG1-CD1 4.18Å; V163-L167 WeakPolarHBondContact O-CG 3.35Å; V163-L167 PolarHBondContact O-N 3.07Å; V163-W213 HydrophobicContact CG2-CH2 4.04Å; V163-W213 HydrophobicContact CG2-CZ2 3.98Å; V163-L217 HydrophobicContact CG2-CD2 4.26Å; V163-M221 HydrophobicContact CB-CE 4.45Å; V163-M221 HydrophobicContact CG1-CE 3.91Å; V163-A280 HydrophobicContact CG2-CB 4.27Å
164	I	98.1	Very high	97.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-62.7	-41.3	177.6	-63.5	165.7	0	0	0	111	I122 L133 L136 T160 G161 A162 A166 L167 L168 Y182	I122-I164 HydrophobicContact CD1-CB 4.08Å; I122-I164 HydrophobicContact CD1-CG2 3.49Å; I122-I164 VanDerWaalsContact CD1-CG2 3.49Å; I122-I164 HydrophobicContact CG2-CD1 4.27Å; L133-I164 HydrophobicContact CD1-CD1 4.41Å; L133-I164 HydrophobicContact CD1-CG1 4.49Å; L133-I164 HydrophobicContact CD2-CD1 4.26Å; L133-I164 HydrophobicContact CD2-CG1 4.19Å; L133-I164 HydrophobicContact CD2-CG2 3.93Å; L133-I164 HydrophobicContact CG-CD1 4.01Å; L133-I164 HydrophobicContact CG-CG1 4.34Å; L136-I164 HydrophobicContact CD1-CG2 4.25Å; T160-I164 WeakPolarHBondContact O-CG1 3.24Å; T160-I164 PolarHBondContact O-N 3.45Å; G161-I164 PolarHBondContact O-N 3.27Å; A162-I164 VanDerWaalsContact C-N 3.33Å; A162-I164 PolarHBondContact O-N 2.83Å; I164-A166 VanDerWaalsContact C-N 3.35Å; I164-A166 PolarHBondContact O-N 3.42Å; I164-L167 PolarHBondContact O-N 3.17Å; I164-L168 HydrophobicContact CG2-CD1 3.51Å; I164-L168 HydrophobicContact CG2-CG 4.05Å; I164-L168 WeakPolarHBondContact O-CB 3.33Å; I164-L168 WeakPolarHBondContact O-CG 3.45Å; I164-L168 PolarHBondContact O-N 3.2Å; I164-Y182 HydrophobicContact CG1-CD2 4.46Å; I164-Y182 HydrophobicContact CG1-CE2 4.38Å
165	A	98.7	Very high	97.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63	-39.1	177.7	0	0	0	0	0	112.6	I155 G161 A162 V163 G169 G170	I155-A165 HydrophobicContact CD1-CB 4.06Å; I155-A165 HydrophobicContact CG1-CB 3.93Å; G161-A165 VanDerWaalsContact O-CB 3.31Å; G161-A165 WeakPolarHBondContact O-CB 3.34Å; G161-A165 PolarHBondContact O-N 2.8Å; A162-A165 PolarHBondContact O-N 2.83Å; V163-A165 VanDerWaalsContact C-N 3.34Å; V163-A165 PolarHBondContact O-N 3.04Å; A165-G169 VanDerWaalsContact O-CA 3.28Å; A165-G169 WeakPolarHBondContact O-CA 3Å; A165-G169 PolarHBondContact O-N 3.42Å; A165-G170 PolarHBondContact O-N 2.86Å
166	A	98.5	Very high	97.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-64.8	-44.8	174.2	0	0	0	0	0	111.9	A162 V163 I164 G170 L171 M221 M240 L276	A162-A166 PolarHBondContact O-N 3.44Å; V163-A166 PolarHBondContact O-N 3.3Å; I164-A166 VanDerWaalsContact C-N 3.35Å; I164-A166 PolarHBondContact O-N 3.42Å; A166-G170 CarbonylContact O-C 3.45Å; A166-G170 WeakPolarHBondContact O-CA 3.3Å; A166-G170 PolarHBondContact O-N 2.71Å; A166-L171 PolarHBondContact O-N 2.73Å; A166-M221 HydrophobicContact CB-CE 3.76Å; A166-M221 HydrophobicContact CB-SD 3.9Å; A166-M240 HydrophobicContact CB-CE 3.99Å; A166-M240 HydrophobicContact CB-SD 3.92Å; A166-L276 HydrophobicContact CB-CB 4.43Å
167	L	98.2	Very high	97.2	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	8%	0.079	C	C	.	.	I	π-helix	trans	-69.2	-49	-178.6	-64.6	177.3	0	0	0	112.3	V163 I164 L171 R172 L173 C178 I181 A220 M221	V163-L167 HydrophobicContact CG1-CD1 4.18Å; V163-L167 WeakPolarHBondContact O-CG 3.35Å; V163-L167 PolarHBondContact O-N 3.07Å; I164-L167 PolarHBondContact O-N 3.17Å; L167-L171 HydrophobicContact CD2-CD1 3.71Å; L167-L171 WeakPolarHBondContact O-CB 3.25Å; L167-R172 PolarHBondContact O-N 2.77Å; L167-L173 HydrophobicContact CB-CD1 4.39Å; L167-L173 HydrophobicContact CD2-CD1 4.14Å; L167-L173 PolarHBondContact O-N 3.08Å; L167-L173 VanDerWaalsContact O-N 3.08Å; L167-C178 HydrophobicContact CB-CB 4.44Å; L167-C178 VanDerWaalsContact CD1-SG 3.51Å; L167-I181 HydrophobicContact CD1-CB 4.43Å; L167-I181 HydrophobicContact CD1-CG2 4.11Å; L167-I181 HydrophobicContact CD2-CD1 4.13Å; L167-A220 HydrophobicContact CD2-CB 4.37Å; L167-M221 HydrophobicContact CD2-CE 4.43Å; L167-M221 HydrophobicContact CD2-CG 4.31Å
168	L	98.2	Very high	97.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.079	C	C	.	.	I	π-helix	trans	-78.8	-41.7	-177	-63.1	-179.9	0	0	0	112.5	L136 I148 I155 I164 R172 L173 V175 C178	L136-L168 HydrophobicContact CD1-CD1 3.65Å; I148-L168 HydrophobicContact CB-CD1 4.45Å; I148-L168 HydrophobicContact CG1-CD1 4.36Å; I148-L168 HydrophobicContact CG2-CB 4.42Å; I148-L168 HydrophobicContact CG2-CD1 4.24Å; I155-L168 HydrophobicContact CD1-CB 4.33Å; I164-L168 HydrophobicContact CG2-CD1 3.51Å; I164-L168 HydrophobicContact CG2-CG 4.05Å; I164-L168 WeakPolarHBondContact O-CB 3.33Å; I164-L168 WeakPolarHBondContact O-CG 3.45Å; I164-L168 PolarHBondContact O-N 3.2Å; L168-R172 WeakPolarHBondContact O-CA 3.21Å; L168-L173 WeakPolarHBondContact CD2-O 3.46Å; L168-V175 HydrophobicContact CD1-CG2 4.34Å; L168-V175 HydrophobicContact CD2-CG2 4.05Å; L168-C178 HydrophobicContact CD2-CB 3.73Å; L168-C178 HydrophobicContact CG-CB 4.38Å
169	G	97.8	Very high	96.9	Very high	2 Å²	2	18.8 Å²	18.8	2%	0.021	9%	0.085	C	C	.	.	I	π-helix	trans	-90.7	-49.7	-176.7	0	0	0	0	0	113.6	A165	A165-G169 VanDerWaalsContact O-CA 3.28Å; A165-G169 WeakPolarHBondContact O-CA 3Å; A165-G169 PolarHBondContact O-N 3.42Å
170	G	97.4	Very high	96.8	Very high	3 Å²	3	23 Å²	23	3%	0.031	10%	0.104	C	C	.	.	I	π-helix	trans	-75.1	-47.1	-176.4	0	0	0	0	0	113.4	A165 A166	A165-G170 PolarHBondContact O-N 2.86Å; A166-G170 CarbonylContact O-C 3.45Å; A166-G170 WeakPolarHBondContact O-CA 3.3Å; A166-G170 PolarHBondContact O-N 2.71Å
171	L	97.4	Very high	96.6	Very high	35 Å²	35	24.7 Å²	24.7	18%	0.183	11%	0.112	C	C	.	.	S	Bend	trans	-93.2	-13.6	-179.8	-55.6	-177	0	0	0	113.8	A166 L167 L173 A220 M221 K224 L276	A166-L171 PolarHBondContact O-N 2.73Å; L167-L171 HydrophobicContact CD2-CD1 3.71Å; L167-L171 WeakPolarHBondContact O-CB 3.25Å; L171-L173 VanDerWaalsContact C-N 3.27Å; L171-L173 HydrophobicContact CB-CG 4Å; L171-L173 HydrophobicContact CD1-CD1 4.41Å; L171-L173 PolarHBondContact O-N 2.89Å; L171-A220 VanDerWaalsContact CD1-O 3.27Å; L171-A220 WeakPolarHBondContact CD1-O 3.47Å; L171-M221 HydrophobicContact CD1-CB 4.37Å; L171-M221 HydrophobicContact CD1-CG 4.32Å; L171-K224 HydrophobicContact CD2-CD 4.01Å; L171-L276 HydrophobicContact CD2-CD1 3.91Å; L171-L276 HydrophobicContact CG-CD1 4.42Å
172	R	96.9	Very high	96.1	Very high	35 Å²	35	25.5 Å²	25.5	13%	0.132	12%	0.115	C	C	.	.			trans	62.8	30.2	178.7	-54.3	-178.5	-179.3	-158	0.1	114.1	H149 L167 L168 D234 H235	H149-R172 VanDerWaalsContact CD2-CB 3.49Å; H149-R172 WeakPolarHBondContact CD2-CB 3.33Å; L167-R172 PolarHBondContact O-N 2.77Å; L168-R172 WeakPolarHBondContact O-CA 3.21Å; R172-D234 IonicContact CZ-OD1 3.17Å; R172-D234 VanDerWaalsContact CZ-OD1 3.26Å; R172-D234 IonicContact CZ-OD2 3.92Å; R172-D234 IonicContact NH1-OD1 2.69Å; R172-D234 PolarHBondContact NH1-OD1 2.96Å; R172-D234 IonicContact NH1-OD2 2.91Å; R172-D234 PolarHBondContact NH1-OD2 3.39Å; R172-D234 IonicContact NH2-OD1 2.86Å; R172-D234 PolarHBondContact NH2-OD1 2.87Å; R172-H235 VanDerWaalsContact NH2-N 3.18Å
173	L	96.9	Very high	95.5	Very high	38 Å²	38	28.8 Å²	28.8	20%	0.199	13%	0.131	C	C	.	.			trans	-68.2	153.1	173	-57.8	-175.4	0	0	0	110.4	L167 L168 L171 E177 I181	L167-L173 HydrophobicContact CB-CD1 4.39Å; L167-L173 HydrophobicContact CD2-CD1 4.14Å; L167-L173 PolarHBondContact O-N 3.08Å; L167-L173 VanDerWaalsContact O-N 3.08Å; L168-L173 WeakPolarHBondContact CD2-O 3.46Å; L171-L173 VanDerWaalsContact C-N 3.27Å; L171-L173 HydrophobicContact CB-CG 4Å; L171-L173 HydrophobicContact CD1-CD1 4.41Å; L171-L173 PolarHBondContact O-N 2.89Å; L173-E177 WeakPolarHBondContact CA-OE2 3.47Å; L173-E177 HydrophobicContact CB-CB 3.98Å; L173-E177 HydrophobicContact CD1-CB 4.41Å; L173-I181 HydrophobicContact CD1-CD1 3.54Å
174	N	97.1	Very high	94.7	Very high	15 Å²	15	32 Å²	32	8%	0.08	15%	0.145	C	C	.	.			trans	-75.5	165.2	167.4	53.8	56.6	0	0	0	108.9	E140 R147 R176 E177 C178	E140-N174 VanDerWaalsContact OE1-CB 3.23Å; E140-N174 WeakPolarHBondContact OE1-CB 3.38Å; R147-N174 VanDerWaalsContact CZ-CB 3.49Å; R147-N174 VanDerWaalsContact NH1-CG 3.33Å; R147-N174 PolarHBondContact NH1-ND2 3.29Å; R147-N174 PolarHBondContact NH2-ND2 3.46Å; R147-N174 VanDerWaalsContact NH2-ND2 3.12Å; N174-R176 PolarHBondContact O-N 3.07Å; N174-R176 WeakPolarHBondContact OD1-CB 3.26Å; N174-R176 PolarHBondContact OD1-N 3.4Å; N174-E177 PolarHBondContact N-OE2 3.27Å; N174-E177 PolarHBondContact ND2-OE1 3.47Å; N174-E177 PolarHBondContact ND2-OE2 2.86Å; N174-E177 VanDerWaalsContact ND2-OE2 3.09Å; N174-E177 PolarHBondContact O-N 2.66Å; N174-E177 WeakPolarHBondContact OD1-CB 3.38Å; N174-E177 VanDerWaalsContact OD1-CG 3.26Å; N174-E177 WeakPolarHBondContact OD1-CG 3.47Å; N174-E177 PolarHBondContact OD1-N 2.95Å; N174-E177 PolarHBondContact OD1-OE2 3.5Å; N174-C178 WeakPolarHBondContact O-CB 3.17Å; N174-C178 PolarHBondContact O-N 3Å
175	V	97.4	Very high	93.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.3	-33.3	-179.4	176.8	0	0	0	0	111.6	L133 L136 Q137 E140 I148 L168 C178 K179	L133-V175 HydrophobicContact CB-CG1 4.49Å; L133-V175 HydrophobicContact CD2-CG1 4.24Å; L133-V175 VanDerWaalsContact O-CG1 3.31Å; L133-V175 WeakPolarHBondContact O-CG1 3.31Å; L136-V175 HydrophobicContact CB-CG1 4.19Å; L136-V175 HydrophobicContact CB-CG2 3.72Å; Q137-V175 HydrophobicContact CB-CB 4.48Å; Q137-V175 HydrophobicContact CB-CG1 3.75Å; E140-V175 HydrophobicContact CB-CG2 4.47Å; E140-V175 VanDerWaalsContact OE2-CB 3.22Å; E140-V175 WeakPolarHBondContact OE2-CB 3.46Å; E140-V175 WeakPolarHBondContact OE2-CG2 3.46Å; E140-V175 PolarHBondContact OE2-N 2.86Å; I148-V175 HydrophobicContact CD1-CG2 4.24Å; I148-V175 HydrophobicContact CG1-CG2 3.59Å; L168-V175 HydrophobicContact CD1-CG2 4.34Å; L168-V175 HydrophobicContact CD2-CG2 4.05Å; V175-C178 WeakPolarHBondContact O-CB 3.49Å; V175-C178 PolarHBondContact O-N 3.38Å; V175-K179 HydrophobicContact CG1-CD 4.08Å; V175-K179 HydrophobicContact CG1-CG 4.25Å; V175-K179 WeakPolarHBondContact O-CB 3.43Å; V175-K179 VanDerWaalsContact O-CG 3.31Å; V175-K179 WeakPolarHBondContact O-CG 3.49Å; V175-K179 PolarHBondContact O-N 2.84Å
176	R	96.1	Very high	92.4	Very high	153 Å²	153	33.6 Å²	33.6	58%	0.577	16%	0.155	S	C	*	.	H	α-helix	trans	-63.2	-50.4	177.1	-177.2	-179	66.4	-178.8	0.5	112.3	N174 C178 K179 E180	N174-R176 PolarHBondContact O-N 3.07Å; N174-R176 WeakPolarHBondContact OD1-CB 3.26Å; N174-R176 PolarHBondContact OD1-N 3.4Å; R176-C178 VanDerWaalsContact C-N 3.28Å; R176-C178 PolarHBondContact O-N 3.07Å; R176-K179 WeakPolarHBondContact O-CB 3.38Å; R176-K179 PolarHBondContact O-N 3.44Å; R176-E180 WeakPolarHBondContact O-CG 3.38Å; R176-E180 PolarHBondContact O-N 2.79Å
177	E	96	Very high	91.1	Very high	60 Å²	60	37.8 Å²	37.8	28%	0.28	18%	0.177	S	C	.	.	H	α-helix	trans	-58.6	-41.7	175.1	-73.8	160	168.1	0	0	110.7	R147 L173 N174 E180 I181	R147-E177 IonicContact NH1-OE2 2.86Å; R147-E177 PolarHBondContact NH1-OE2 2.74Å; L173-E177 WeakPolarHBondContact CA-OE2 3.47Å; L173-E177 HydrophobicContact CB-CB 3.98Å; L173-E177 HydrophobicContact CD1-CB 4.41Å; N174-E177 PolarHBondContact N-OE2 3.27Å; N174-E177 PolarHBondContact ND2-OE1 3.47Å; N174-E177 PolarHBondContact ND2-OE2 2.86Å; N174-E177 VanDerWaalsContact ND2-OE2 3.09Å; N174-E177 PolarHBondContact O-N 2.66Å; N174-E177 WeakPolarHBondContact OD1-CB 3.38Å; N174-E177 VanDerWaalsContact OD1-CG 3.26Å; N174-E177 WeakPolarHBondContact OD1-CG 3.47Å; N174-E177 PolarHBondContact OD1-N 2.95Å; N174-E177 PolarHBondContact OD1-OE2 3.5Å; E177-E180 PolarHBondContact O-N 3.2Å; E177-I181 WeakPolarHBondContact O-CG1 3.44Å; E177-I181 PolarHBondContact O-N 3.11Å; E177-I181 VanDerWaalsContact O-N 3.17Å
178	C	96	Very high	89.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-44.2	175.3	-171.8	0	0	0	0	111.9	L133 L167 L168 N174 V175 R176 I181 Y182	L133-C178 HydrophobicContact CD2-CB 4.24Å; L167-C178 HydrophobicContact CB-CB 4.44Å; L167-C178 VanDerWaalsContact CD1-SG 3.51Å; L168-C178 HydrophobicContact CD2-CB 3.73Å; L168-C178 HydrophobicContact CG-CB 4.38Å; N174-C178 WeakPolarHBondContact O-CB 3.17Å; N174-C178 PolarHBondContact O-N 3Å; V175-C178 WeakPolarHBondContact O-CB 3.49Å; V175-C178 PolarHBondContact O-N 3.38Å; R176-C178 VanDerWaalsContact C-N 3.28Å; R176-C178 PolarHBondContact O-N 3.07Å; C178-I181 PolarHBondContact O-N 3.32Å; C178-Y182 VanDerWaalsContact O-CB 3.26Å; C178-Y182 WeakPolarHBondContact O-CB 3.18Å; C178-Y182 PolarHBondContact O-N 3.42Å
179	K	93.7	Very high	88.4	Confident	28 Å²	28	43.3 Å²	43.3	12%	0.122	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-43.7	176.3	-74.8	175.2	71.7	177.8	0	111.9	L133 E134 V175 R176 I181 Y182 E183	L133-K179 HydrophobicContact CB-CD 4.2Å; L133-K179 HydrophobicContact CB-CG 3.71Å; L133-K179 HydrophobicContact CD1-CG 3.92Å; L133-K179 HydrophobicContact CD2-CG 4.48Å; L133-K179 HydrophobicContact CG-CG 4.25Å; E134-K179 WeakPolarHBondContact OE1-CE 3.32Å; E134-K179 IonicContact OE1-NZ 3.98Å; E134-K179 PolarHBondContact OE1-NZ 3.2Å; E134-K179 IonicContact OE2-NZ 3.13Å; E134-K179 PolarHBondContact OE2-NZ 2.95Å; V175-K179 HydrophobicContact CG1-CD 4.08Å; V175-K179 HydrophobicContact CG1-CG 4.25Å; V175-K179 WeakPolarHBondContact O-CB 3.43Å; V175-K179 VanDerWaalsContact O-CG 3.31Å; V175-K179 WeakPolarHBondContact O-CG 3.49Å; V175-K179 PolarHBondContact O-N 2.84Å; R176-K179 WeakPolarHBondContact O-CB 3.38Å; R176-K179 PolarHBondContact O-N 3.44Å; K179-I181 VanDerWaalsContact C-N 3.3Å; K179-I181 PolarHBondContact O-N 3.14Å; K179-Y182 PolarHBondContact O-N 2.99Å; K179-Y182 VanDerWaalsContact O-N 3.09Å; K179-E183 WeakPolarHBondContact O-CB 3.41Å; K179-E183 WeakPolarHBondContact O-CG 3.38Å; K179-E183 PolarHBondContact O-N 3.36Å
180	E	92.4	Very high	86.6	Confident	98 Å²	98	44.2 Å²	44.2	46%	0.458	20%	0.202	S	C	.	.	H	α-helix	trans	-60	-38.7	178.2	-73.5	172	-167.1	0	0	112.5	R176 E177 Q184	R176-E180 WeakPolarHBondContact O-CG 3.38Å; R176-E180 PolarHBondContact O-N 2.79Å; E177-E180 PolarHBondContact O-N 3.2Å; E180-Q184 VanDerWaalsContact O-CG 3.29Å; E180-Q184 WeakPolarHBondContact O-CG 3.28Å; E180-Q184 PolarHBondContact O-NE2 3.29Å
181	I	90.5	Very high	84.6	Confident	41 Å²	41	50.1 Å²	50.1	21%	0.21	23%	0.232	C	C	.	.	H	α-helix	trans	-68.4	-46.4	172.8	-67.3	169.9	0	0	0	109.9	L167 L173 E177 C178 K179 E183 Q184 V185 A220	L167-I181 HydrophobicContact CD1-CB 4.43Å; L167-I181 HydrophobicContact CD1-CG2 4.11Å; L167-I181 HydrophobicContact CD2-CD1 4.13Å; L173-I181 HydrophobicContact CD1-CD1 3.54Å; E177-I181 WeakPolarHBondContact O-CG1 3.44Å; E177-I181 PolarHBondContact O-N 3.11Å; E177-I181 VanDerWaalsContact O-N 3.17Å; C178-I181 PolarHBondContact O-N 3.32Å; K179-I181 VanDerWaalsContact C-N 3.3Å; K179-I181 PolarHBondContact O-N 3.14Å; I181-E183 PolarHBondContact O-N 2.9Å; I181-Q184 PolarHBondContact O-N 3.12Å; I181-V185 PolarHBondContact O-N 3.1Å; I181-A220 HydrophobicContact CG2-CB 3.74Å
182	Y	85.6	Confident	82.3	Confident	17 Å²	17	53.6 Å²	53.6	7%	0.067	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-41.7	-174.7	-161.5	-84.1	0	0	0	112.9	G126 A127 G129 L130 L133 T160 I164 C178 K179 Q184 V185 P186	G126-Y182 PolarHBondContact O-OH 3.5Å; A127-Y182 WeakPolarHBondContact CA-OH 3.36Å; G129-Y182 PolarHBondContact N-OH 3.06Å; L130-Y182 HydrophobicContact CD2-CD1 3.49Å; L130-Y182 VanDerWaalsContact CD2-CD1 3.49Å; L130-Y182 HydrophobicContact CD2-CE1 4.07Å; L130-Y182 HydrophobicContact CD2-CG 4.42Å; L130-Y182 HydrophobicContact CG-CD1 3.76Å; L130-Y182 HydrophobicContact CG-CE1 3.8Å; L133-Y182 HydrophobicContact CD1-CD1 4.17Å; L133-Y182 HydrophobicContact CD1-CD2 4.09Å; L133-Y182 HydrophobicContact CD1-CG 3.75Å; T160-Y182 WeakPolarHBondContact OG1-CE2 3.43Å; T160-Y182 VanDerWaalsContact OG1-CZ 3.27Å; T160-Y182 PolarHBondContact OG1-OH 3.06Å; I164-Y182 HydrophobicContact CG1-CD2 4.46Å; I164-Y182 HydrophobicContact CG1-CE2 4.38Å; C178-Y182 VanDerWaalsContact O-CB 3.26Å; C178-Y182 WeakPolarHBondContact O-CB 3.18Å; C178-Y182 PolarHBondContact O-N 3.42Å; K179-Y182 PolarHBondContact O-N 2.99Å; K179-Y182 VanDerWaalsContact O-N 3.09Å; Y182-Q184 PolarHBondContact O-N 3.44Å; Y182-V185 WeakPolarHBondContact O-CB 3.31Å; Y182-V185 PolarHBondContact O-N 3.44Å; Y182-P186 WeakPolarHBondContact O-CD 3.28Å
183	E	85.5	Confident	79.9	Confident	70 Å²	70	52.8 Å²	52.8	33%	0.327	25%	0.247	S	C	.	.	H	α-helix	trans	-67.5	-22.5	177.9	-71.4	173.9	178.7	0	0	112.8	L130 K179 I181 Q408	L130-E183 HydrophobicContact CD2-CG 3.85Å; K179-E183 WeakPolarHBondContact O-CB 3.41Å; K179-E183 WeakPolarHBondContact O-CG 3.38Å; K179-E183 PolarHBondContact O-N 3.36Å; I181-E183 PolarHBondContact O-N 2.9Å; E183-Q408 PolarHBondContact OE1-NE2 3.39Å
184	Q	80.7	Confident	77.3	Confident	77 Å²	77	61.3 Å²	61.3	36%	0.36	28%	0.277	S	S	.	.	H	α-helix	trans	-78.5	-22.1	174.5	-71	176	51.1	0	0	113.1	E180 I181 Y182 L187 R188	E180-Q184 VanDerWaalsContact O-CG 3.29Å; E180-Q184 WeakPolarHBondContact O-CG 3.28Å; E180-Q184 PolarHBondContact O-NE2 3.29Å; I181-Q184 PolarHBondContact O-N 3.12Å; Y182-Q184 PolarHBondContact O-N 3.44Å; Q184-L187 PolarHBondContact O-N 2.85Å; Q184-R188 WeakPolarHBondContact O-CG 3.39Å; Q184-R188 PolarHBondContact O-N 3.23Å; Q184-R188 VanDerWaalsContact O-N 3.09Å
185	V	79.5	Confident	74.9	Confident	27 Å²	27	68.5 Å²	68.5	16%	0.164	31%	0.314	C	S	.	.	H	α-helix	trans	-63.1	-51.9	-177.4	170.6	0	0	0	0	111.1	I181 Y182 L187 R188 L189 W213	I181-V185 PolarHBondContact O-N 3.1Å; Y182-V185 WeakPolarHBondContact O-CB 3.31Å; Y182-V185 PolarHBondContact O-N 3.44Å; V185-L187 VanDerWaalsContact C-N 3.3Å; V185-L187 PolarHBondContact O-N 3.42Å; V185-R188 PolarHBondContact O-N 3.29Å; V185-L189 HydrophobicContact CG1-CD1 3.39Å; V185-L189 HydrophobicContact CG1-CG 4.03Å; V185-L189 WeakPolarHBondContact O-CB 3.25Å; V185-L189 PolarHBondContact O-N 2.71Å; V185-W213 HydrophobicContact CB-CZ3 4.5Å; V185-W213 HydrophobicContact CG1-CE3 4.22Å; V185-W213 HydrophobicContact CG1-CH2 4.39Å; V185-W213 HydrophobicContact CG1-CZ3 3.6Å; V185-W213 HydrophobicContact CG2-CZ3 4.03Å
186	P	69.1	Low	72.5	Confident	6 Å²	6	70.5 Å²	70.5	4%	0.039	33%	0.334	C	S	.	.	H	α-helix	trans	-58	-42.6	177.1	-26.6	34.5	0	0	0	113.3	Y182 R188 F190 L404	Y182-P186 WeakPolarHBondContact O-CD 3.28Å; P186-R188 VanDerWaalsContact C-N 3.29Å; P186-R188 PolarHBondContact O-N 3.47Å; P186-F190 VanDerWaalsContact CA-CE2 3.47Å; P186-F190 HydrophobicContact CB-CD2 3.57Å; P186-F190 HydrophobicContact CB-CE2 3.65Å; P186-F190 HydrophobicContact CG-CE2 4.22Å; P186-F190 WeakPolarHBondContact O-CB 3.29Å; P186-F190 WeakPolarHBondContact O-CD2 3.41Å; P186-F190 WeakPolarHBondContact O-CG 3.3Å; P186-F190 PolarHBondContact O-N 3.17Å; P186-L404 HydrophobicContact CB-CD1 4.19Å; P186-L404 HydrophobicContact CG-CD1 4.19Å
187	L	69.9	Low	70.1	Confident	88 Å²	88	63.9 Å²	63.9	46%	0.461	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-37.1	-179.3	-71.4	171.9	0	0	0	112.6	Q184 V185 D191 L401	Q184-L187 PolarHBondContact O-N 2.85Å; V185-L187 VanDerWaalsContact C-N 3.3Å; V185-L187 PolarHBondContact O-N 3.42Å; L187-D191 WeakPolarHBondContact O-CB 3.24Å; L187-L401 HydrophobicContact CD1-CD2 4.49Å; L187-L401 HydrophobicContact CD2-CD1 4.2Å; L187-L401 HydrophobicContact CD2-CD2 3.93Å; L187-L401 HydrophobicContact CD2-CG 4.21Å; L187-L401 HydrophobicContact CG-CD2 4.35Å
188	R	72.5	Confident	67.6	Low	107 Å²	107	66 Å²	66	40%	0.404	34%	0.335	S	S	.	.	H	α-helix	trans	-93.2	-32.9	-175.5	-65.3	-177.6	-174.9	-169.2	9.5	113.7	Q184 V185 P186 L216 E219	Q184-R188 WeakPolarHBondContact O-CG 3.39Å; Q184-R188 PolarHBondContact O-N 3.23Å; Q184-R188 VanDerWaalsContact O-N 3.09Å; V185-R188 PolarHBondContact O-N 3.29Å; P186-R188 VanDerWaalsContact C-N 3.29Å; P186-R188 PolarHBondContact O-N 3.47Å; R188-L216 HydrophobicContact CB-CD1 3.93Å; R188-L216 HydrophobicContact CB-CD2 3.93Å; R188-L216 HydrophobicContact CG-CD2 4.34Å; R188-E219 IonicContact NH1-OE2 2.86Å; R188-E219 PolarHBondContact NH1-OE2 2.81Å
189	L	67.5	Low	65.1	Low	9 Å²	9	71.6 Å²	71.6	5%	0.047	36%	0.364	C	S	.	.	H	α-helix	trans	-74.1	-39.8	176.6	-77.4	-179.6	0	0	0	112.3	V185 T212 W213 L216 F290	V185-L189 HydrophobicContact CG1-CD1 3.39Å; V185-L189 HydrophobicContact CG1-CG 4.03Å; V185-L189 WeakPolarHBondContact O-CB 3.25Å; V185-L189 PolarHBondContact O-N 2.71Å; L189-T212 HydrophobicContact CD2-CG2 4.04Å; L189-W213 HydrophobicContact CD1-CD2 4.35Å; L189-W213 HydrophobicContact CD1-CE3 3.74Å; L189-W213 HydrophobicContact CD1-CZ3 4.27Å; L189-W213 HydrophobicContact CD2-CB 3.83Å; L189-W213 HydrophobicContact CD2-CE3 4.34Å; L189-W213 HydrophobicContact CG-CE3 4.41Å; L189-L216 HydrophobicContact CD1-CD1 4.5Å; L189-L216 HydrophobicContact CD2-CD1 3.74Å; L189-L216 HydrophobicContact CG-CD1 3.6Å; L189-F290 HydrophobicContact CD1-CZ 4.47Å
190	F	60.9	Low	62.9	Low	21 Å²	21	71.2 Å²	71.2	9%	0.092	37%	0.369	C	S	.	.	H	α-helix	trans	-99.6	-16.1	-164.3	-51.6	-42.1	0	0	0	114.1	P186 Q192 S193 Y208 D397	P186-F190 VanDerWaalsContact CA-CE2 3.47Å; P186-F190 HydrophobicContact CB-CD2 3.57Å; P186-F190 HydrophobicContact CB-CE2 3.65Å; P186-F190 HydrophobicContact CG-CE2 4.22Å; P186-F190 WeakPolarHBondContact O-CB 3.29Å; P186-F190 WeakPolarHBondContact O-CD2 3.41Å; P186-F190 WeakPolarHBondContact O-CG 3.3Å; P186-F190 PolarHBondContact O-N 3.17Å; F190-Q192 PolarHBondContact O-N 3.28Å; F190-S193 PolarHBondContact O-N 3.21Å; F190-S193 PolarHBondContact O-OG 2.97Å; F190-S193 VanDerWaalsContact O-OG 3.06Å; F190-Y208 AromaticContact CD1-CD1 3.61Å; F190-Y208 HydrophobicContact CD1-CD1 3.61Å; F190-Y208 AromaticContact CD1-CE1 3.02Å; F190-Y208 HydrophobicContact CD1-CE1 3.02Å; F190-Y208 HydrophobicContact CD1-CE2 4.22Å; F190-Y208 HydrophobicContact CD1-CG 4.45Å; F190-Y208 AromaticContact CD1-CZ 3.41Å; F190-Y208 VanDerWaalsContact CD1-CZ 3.41Å; F190-Y208 AromaticContact CE1-CD1 3.69Å; F190-Y208 HydrophobicContact CE1-CD1 3.69Å; F190-Y208 HydrophobicContact CE1-CD2 4.01Å; F190-Y208 AromaticContact CE1-CE1 3.2Å; F190-Y208 HydrophobicContact CE1-CE1 3.2Å; F190-Y208 AromaticContact CE1-CE2 3.5Å; F190-Y208 HydrophobicContact CE1-CE2 3.5Å; F190-Y208 VanDerWaalsContact CE1-CE2 3.5Å; F190-Y208 HydrophobicContact CE1-CG 4.11Å; F190-Y208 AromaticContact CE1-CZ 3.11Å; F190-Y208 HydrophobicContact CG-CE1 4.22Å; F190-Y208 HydrophobicContact CZ-CE1 4.48Å; F190-Y208 HydrophobicContact CZ-CE2 4.32Å; F190-D397 HydrophobicContact CE1-CB 4.43Å; F190-D397 HydrophobicContact CZ-CB 4.11Å
191	D	54.3	Low	60.6	Low	127 Å²	127	67.9 Å²	67.9	68%	0.679	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.9	170.3	-161.8	30.4	0	0	0	111.5	L187	L187-D191 WeakPolarHBondContact O-CB 3.24Å
192	Q	49	Very low	58.4	Low	108 Å²	108	71.8 Å²	71.8	51%	0.505	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-26.9	178.4	-65.1	-172.2	-13.4	0	0	114.2	F190 R194 T212	F190-Q192 PolarHBondContact O-N 3.28Å; Q192-R194 PolarHBondContact O-N 3.37Å; Q192-T212 PolarHBondContact OE1-OG1 2.77Å
193	S	48.1	Very low	56.2	Low	18 Å²	18	77.3 Å²	77.3	13%	0.126	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-79.9	-15.7	-172.3	57.3	0	0	0	0	114	F190 I195 G196 G197	F190-S193 PolarHBondContact O-N 3.21Å; F190-S193 PolarHBondContact O-OG 2.97Å; F190-S193 VanDerWaalsContact O-OG 3.06Å; S193-I195 PolarHBondContact O-N 3.18Å; S193-I195 VanDerWaalsContact O-N 3.14Å; S193-G196 PolarHBondContact O-N 3.33Å; S193-G197 PolarHBondContact O-N 3.44Å
194	R	42.5	Very low	54.1	Low	218 Å²	218	76.4 Å²	76.4	82%	0.823	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-65.3	-15.6	-179.1	-76.3	-169.5	161.6	-172.1	-4.7	114.9	Q192	Q192-R194 PolarHBondContact O-N 3.37Å
195	I	45.7	Very low	52.8	Low	166 Å²	166	80.3 Å²	80.3	85%	0.851	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-99	-8.4	-175.1	-57	178.9	0	0	0	113	S193	S193-I195 PolarHBondContact O-N 3.18Å; S193-I195 VanDerWaalsContact O-N 3.14Å
196	G	47.8	Very low	51.4	Low	41 Å²	41	79.2 Å²	79.2	42%	0.423	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-162.2	11.6	-176.7	0	0	0	0	0	118.9	S193 S198 L199 G200	S193-G196 PolarHBondContact O-N 3.33Å; G196-S198 VanDerWaalsContact C-N 3.28Å; G196-S198 PolarHBondContact O-N 3.33Å; G196-L199 PolarHBondContact O-N 2.98Å; G196-L199 VanDerWaalsContact O-N 3.09Å; G196-G200 PolarHBondContact O-N 2.92Å
197	G	45.5	Very low	50.8	Low	14 Å²	14	82.5 Å²	82.5	14%	0.144	43%	0.434	C	S	.	.	H	α-helix	trans	-56.1	-26.5	-166.4	0	0	0	0	0	117.4	S193 Y207	S193-G197 PolarHBondContact O-N 3.44Å; G197-Y207 WeakPolarHBondContact O-CD2 3.45Å
198	S	43.3	Very low	50.5	Low	106 Å²	106	78.9 Å²	78.9	74%	0.741	41%	0.414	S	S	*	.	H	α-helix	trans	-82.5	-31	177.9	52	0	0	0	0	113.8	G196	G196-S198 VanDerWaalsContact C-N 3.28Å; G196-S198 PolarHBondContact O-N 3.33Å
199	L	43.2	Very low	50.4	Low	117 Å²	117	77.3 Å²	77.3	61%	0.613	41%	0.414	S	S	*	.	H	α-helix	trans	-76.6	-32.9	175.8	-130.1	82.3	0	0	0	111.3	G196 L201 V202 L203	G196-L199 PolarHBondContact O-N 2.98Å; G196-L199 VanDerWaalsContact O-N 3.09Å; L199-L201 PolarHBondContact O-N 2.66Å; L199-V202 PolarHBondContact O-N 3.21Å; L199-L203 HydrophobicContact CB-CD1 4.3Å; L199-L203 HydrophobicContact CD2-CD1 3.64Å; L199-L203 HydrophobicContact CG-CD1 3.86Å; L199-L203 WeakPolarHBondContact O-CB 3.14Å; L199-L203 PolarHBondContact O-N 2.91Å
200	G	46.9	Very low	51.1	Low	20 Å²	20	77.6 Å²	77.6	21%	0.206	42%	0.416	C	S	.	.	H	α-helix	trans	-60.3	-39.3	-179.8	0	0	0	0	0	113.6	G196 V202 L203 S204	G196-G200 PolarHBondContact O-N 2.92Å; G200-V202 VanDerWaalsContact C-N 3.31Å; G200-V202 PolarHBondContact O-N 3.43Å; G200-L203 PolarHBondContact O-N 3.44Å; G200-S204 WeakPolarHBondContact O-CA 3.48Å; G200-S204 PolarHBondContact O-N 3.17Å; G200-S204 PolarHBondContact O-OG 2.92Å
201	L	44.4	Very low	52.2	Low	28 Å²	28	83.8 Å²	83.8	15%	0.147	45%	0.446	C	S	.	.	H	α-helix	trans	-65.7	-35.5	179.3	-142.3	91.4	0	0	0	112.7	L199 H205 G288 V354	L199-L201 PolarHBondContact O-N 2.66Å; L201-H205 PolarHBondContact O-N 3.48Å; L201-G288 WeakPolarHBondContact CD1-O 3.48Å; L201-V354 HydrophobicContact CD2-CG2 3.94Å
202	V	45	Very low	53.7	Low	123 Å²	123	78.8 Å²	78.8	75%	0.745	42%	0.42	S	S	*	.	H	α-helix	trans	-75.1	-34.7	179.3	-177.5	0	0	0	0	111.2	L199 G200	L199-V202 PolarHBondContact O-N 3.21Å; G200-V202 VanDerWaalsContact C-N 3.31Å; G200-V202 PolarHBondContact O-N 3.43Å
203	L	39.2	Very low	55.5	Low	133 Å²	133	74.5 Å²	74.5	70%	0.696	40%	0.399	S	S	*	.	H	α-helix	trans	-96	-36	-173.7	-73.2	162.2	0	0	0	114.4	L199 G200	L199-L203 HydrophobicContact CB-CD1 4.3Å; L199-L203 HydrophobicContact CD2-CD1 3.64Å; L199-L203 HydrophobicContact CG-CD1 3.86Å; L199-L203 WeakPolarHBondContact O-CB 3.14Å; L199-L203 PolarHBondContact O-N 2.91Å; G200-L203 PolarHBondContact O-N 3.44Å
204	S	41.7	Very low	57.5	Low	50 Å²	50	75.6 Å²	75.6	35%	0.35	40%	0.403	S	S	.	.	H	α-helix	trans	-120.2	4.3	-171.4	65.9	0	0	0	0	115.1	G200 S206 Q291	G200-S204 WeakPolarHBondContact O-CA 3.48Å; G200-S204 PolarHBondContact O-N 3.17Å; G200-S204 PolarHBondContact O-OG 2.92Å; S204-S206 PolarHBondContact O-N 3.29Å; S204-S206 PolarHBondContact OG-O 2.57Å; S204-Q291 PolarHBondContact O-NE2 3.36Å
205	H	52.6	Low	59.8	Low	159 Å²	159	71.2 Å²	71.2	74%	0.736	39%	0.39	S	S	*	.	S	Bend	trans	55.4	15.6	-179.9	-72.4	-57.4	0	0	0	115.9	L201	L201-H205 PolarHBondContact O-N 3.48Å
206	S	51.1	Low	62	Low	5 Å²	5	64.2 Å²	64.2	4%	0.035	35%	0.354	C	S	.	.			trans	-151	145.1	173.7	67.4	0	0	0	0	111.3	S204 Y208 Q291	S204-S206 PolarHBondContact O-N 3.29Å; S204-S206 PolarHBondContact OG-O 2.57Å; S206-Y208 PolarHBondContact OG-O 2.79Å; S206-Q291 WeakPolarHBondContact OG-CG 3.3Å
207	Y	56.1	Low	64.1	Low	75 Å²	75	62.4 Å²	62.4	29%	0.294	33%	0.334	S	S	.	.	S	Bend	trans	-76.5	-37	-179.3	-173.8	-96.5	0	0	0	112.7	G197 G288 Y289	G197-Y207 WeakPolarHBondContact O-CD2 3.45Å; Y207-G288 WeakPolarHBondContact CB-O 3.25Å; Y207-G288 PolarHBondContact N-O 2.82Å; Y207-Y289 PolarHBondContact N-O 3.46Å
208	Y	63.5	Low	66.5	Low	11 Å²	11	67.2 Å²	67.2	4%	0.043	35%	0.348	C	S	.	.	S	Bend	trans	-100.2	146.9	-178	-65.4	-56.7	0	0	0	112.9	F190 S206 T210 Y289 F290 D397	F190-Y208 AromaticContact CD1-CD1 3.61Å; F190-Y208 HydrophobicContact CD1-CD1 3.61Å; F190-Y208 AromaticContact CD1-CE1 3.02Å; F190-Y208 HydrophobicContact CD1-CE1 3.02Å; F190-Y208 HydrophobicContact CD1-CE2 4.22Å; F190-Y208 HydrophobicContact CD1-CG 4.45Å; F190-Y208 AromaticContact CD1-CZ 3.41Å; F190-Y208 VanDerWaalsContact CD1-CZ 3.41Å; F190-Y208 AromaticContact CE1-CD1 3.69Å; F190-Y208 HydrophobicContact CE1-CD1 3.69Å; F190-Y208 HydrophobicContact CE1-CD2 4.01Å; F190-Y208 AromaticContact CE1-CE1 3.2Å; F190-Y208 HydrophobicContact CE1-CE1 3.2Å; F190-Y208 AromaticContact CE1-CE2 3.5Å; F190-Y208 HydrophobicContact CE1-CE2 3.5Å; F190-Y208 VanDerWaalsContact CE1-CE2 3.5Å; F190-Y208 HydrophobicContact CE1-CG 4.11Å; F190-Y208 AromaticContact CE1-CZ 3.11Å; F190-Y208 HydrophobicContact CG-CE1 4.22Å; F190-Y208 HydrophobicContact CZ-CE1 4.48Å; F190-Y208 HydrophobicContact CZ-CE2 4.32Å; S206-Y208 PolarHBondContact OG-O 2.79Å; Y208-T210 PolarHBondContact O-N 3.39Å; Y208-Y289 AromaticContact CD2-CD1 3.93Å; Y208-Y289 HydrophobicContact CD2-CD1 3.93Å; Y208-Y289 AromaticContact CE2-CD1 3.51Å; Y208-Y289 HydrophobicContact CE2-CD1 3.51Å; Y208-Y289 HydrophobicContact CE2-CE1 4.13Å; Y208-Y289 PolarHBondContact N-O 3.2Å; Y208-F290 HydrophobicContact CD2-CE1 4.33Å; Y208-F290 HydrophobicContact CD2-CE2 4.49Å; Y208-F290 HydrophobicContact CD2-CZ 4.07Å; Y208-F290 HydrophobicContact CG-CE1 4.27Å; Y208-F290 HydrophobicContact CG-CZ 4.4Å; Y208-D397 HydrophobicContact CE2-CB 3.82Å; Y208-D397 WeakPolarHBondContact OH-CB 3.47Å; Y208-D397 VanDerWaalsContact OH-CG 3.32Å; Y208-D397 PolarHBondContact OH-OD2 3.41Å
209	N	71.1	Confident	68.9	Low	74 Å²	74	67.2 Å²	67.2	40%	0.396	34%	0.336	S	S	.	.			trans	-68.7	104.7	173	-173	-20.8	0	0	0	109.3	E211 T212 W213	N209-E211 PolarHBondContact O-N 3.02Å; N209-E211 WeakPolarHBondContact OD1-CA 3.34Å; N209-E211 VanDerWaalsContact OD1-CB 3.26Å; N209-E211 WeakPolarHBondContact OD1-CB 3.13Å; N209-E211 PolarHBondContact OD1-N 2.87Å; N209-T212 PolarHBondContact ND2-OG1 3.35Å; N209-T212 PolarHBondContact O-N 3.1Å; N209-T212 PolarHBondContact OD1-N 2.92Å; N209-W213 PolarHBondContact O-N 3.46Å; N209-W213 VanDerWaalsContact O-N 3.17Å
210	T	80.4	Confident	71.3	Confident	16 Å²	16	62.9 Å²	62.9	10%	0.098	32%	0.318	C	S	.	.	H	α-helix	trans	-63.8	-28.9	-179.3	-60.6	0	0	0	0	111.6	Y208 W213 I214 Q291	Y208-T210 PolarHBondContact O-N 3.39Å; T210-W213 PolarHBondContact O-N 2.75Å; T210-I214 HydrophobicContact CG2-CD1 4.02Å; T210-I214 HydrophobicContact CG2-CG1 4.48Å; T210-I214 VanDerWaalsContact O-CG1 3.28Å; T210-I214 WeakPolarHBondContact O-CG1 3.16Å; T210-I214 PolarHBondContact O-N 2.8Å; T210-Q291 PolarHBondContact OG1-N 3.4Å
211	E	85.2	Confident	73.6	Confident	151 Å²	151	62.3 Å²	62.3	71%	0.706	31%	0.31	S	S	*	.	H	α-helix	trans	-68	-41.7	175.5	-55.8	-178.9	162.9	0	0	111.7	N209 W213 I214 K215	N209-E211 PolarHBondContact O-N 3.02Å; N209-E211 WeakPolarHBondContact OD1-CA 3.34Å; N209-E211 VanDerWaalsContact OD1-CB 3.26Å; N209-E211 WeakPolarHBondContact OD1-CB 3.13Å; N209-E211 PolarHBondContact OD1-N 2.87Å; E211-W213 VanDerWaalsContact C-N 3.3Å; E211-W213 PolarHBondContact O-N 3.18Å; E211-I214 PolarHBondContact O-N 3.34Å; E211-K215 WeakPolarHBondContact O-CB 3.22Å; E211-K215 PolarHBondContact O-N 3.28Å
212	T	84.8	Confident	76.1	Confident	22 Å²	22	62.5 Å²	62.5	14%	0.135	32%	0.318	C	S	.	.	H	α-helix	trans	-61.9	-41.7	174.3	-55	0	0	0	0	110.3	L189 Q192 N209 K215 L216	L189-T212 HydrophobicContact CD2-CG2 4.04Å; Q192-T212 PolarHBondContact OE1-OG1 2.77Å; N209-T212 PolarHBondContact ND2-OG1 3.35Å; N209-T212 PolarHBondContact O-N 3.1Å; N209-T212 PolarHBondContact OD1-N 2.92Å; T212-K215 WeakPolarHBondContact O-CB 3.42Å; T212-K215 PolarHBondContact O-N 3.5Å; T212-L216 HydrophobicContact CG2-CD1 4.46Å; T212-L216 WeakPolarHBondContact O-CG 3.33Å; T212-L216 PolarHBondContact O-N 3.02Å
213	W	86.9	Confident	78.6	Confident	18 Å²	18	60.4 Å²	60.4	7%	0.068	30%	0.301	C	S	.	.	H	α-helix	trans	-62.3	-47.3	175.5	178.6	-135.4	0	0	0	113	V163 V185 L189 N209 T210 E211 K215 L216 L217 A284 F290	V163-W213 HydrophobicContact CG2-CH2 4.04Å; V163-W213 HydrophobicContact CG2-CZ2 3.98Å; V185-W213 HydrophobicContact CB-CZ3 4.5Å; V185-W213 HydrophobicContact CG1-CE3 4.22Å; V185-W213 HydrophobicContact CG1-CH2 4.39Å; V185-W213 HydrophobicContact CG1-CZ3 3.6Å; V185-W213 HydrophobicContact CG2-CZ3 4.03Å; L189-W213 HydrophobicContact CD1-CD2 4.35Å; L189-W213 HydrophobicContact CD1-CE3 3.74Å; L189-W213 HydrophobicContact CD1-CZ3 4.27Å; L189-W213 HydrophobicContact CD2-CB 3.83Å; L189-W213 HydrophobicContact CD2-CE3 4.34Å; L189-W213 HydrophobicContact CG-CE3 4.41Å; N209-W213 PolarHBondContact O-N 3.46Å; N209-W213 VanDerWaalsContact O-N 3.17Å; T210-W213 PolarHBondContact O-N 2.75Å; E211-W213 VanDerWaalsContact C-N 3.3Å; E211-W213 PolarHBondContact O-N 3.18Å; W213-K215 VanDerWaalsContact C-N 3.28Å; W213-K215 PolarHBondContact O-N 2.75Å; W213-L216 HydrophobicContact CE3-CB 4.3Å; W213-L216 PolarHBondContact O-N 3.01Å; W213-L217 HydrophobicContact CD2-CD1 3.92Å; W213-L217 HydrophobicContact CD2-CG 3.89Å; W213-L217 VanDerWaalsContact CE2-CD1 3.41Å; W213-L217 HydrophobicContact CE3-CG 4.01Å; W213-L217 HydrophobicContact CG-CD1 4.33Å; W213-L217 HydrophobicContact CH2-CD1 4.34Å; W213-L217 HydrophobicContact CH2-CD2 3.45Å; W213-L217 VanDerWaalsContact CH2-CD2 3.45Å; W213-L217 HydrophobicContact CH2-CG 3.81Å; W213-L217 HydrophobicContact CZ2-CD1 3.67Å; W213-L217 HydrophobicContact CZ2-CD2 3.52Å; W213-L217 HydrophobicContact CZ2-CG 3.66Å; W213-L217 HydrophobicContact CZ3-CD2 3.98Å; W213-L217 HydrophobicContact CZ3-CG 3.97Å; W213-L217 WeakPolarHBondContact O-CG 3.26Å; W213-L217 PolarHBondContact O-N 2.59Å; W213-A284 HydrophobicContact CZ2-CB 4.45Å; W213-F290 HydrophobicContact CB-CD1 4.41Å; W213-F290 HydrophobicContact CB-CE1 3.84Å; W213-F290 AromaticContact CD1-CE1 3.94Å; W213-F290 HydrophobicContact CG-CD1 4.48Å; W213-F290 AromaticContact CG-CE1 3.92Å; W213-F290 HydrophobicContact CG-CE1 3.92Å; W213-F290 HydrophobicContact CG-CZ 4.28Å
214	I	90.1	Very high	81.3	Confident	41 Å²	41	58 Å²	58	21%	0.21	28%	0.284	C	S	.	.	H	α-helix	trans	-57.6	-44	175	-72.3	166.1	0	0	0	110.6	T210 E211 L216 L217 R218 W277 Q281	T210-I214 HydrophobicContact CG2-CD1 4.02Å; T210-I214 HydrophobicContact CG2-CG1 4.48Å; T210-I214 VanDerWaalsContact O-CG1 3.28Å; T210-I214 WeakPolarHBondContact O-CG1 3.16Å; T210-I214 PolarHBondContact O-N 2.8Å; E211-I214 PolarHBondContact O-N 3.34Å; I214-L216 PolarHBondContact O-N 3.22Å; I214-L217 PolarHBondContact O-N 3.16Å; I214-R218 HydrophobicContact CG2-CG 4.31Å; I214-R218 WeakPolarHBondContact O-CB 3.35Å; I214-R218 VanDerWaalsContact O-CG 3.29Å; I214-R218 WeakPolarHBondContact O-CG 3.12Å; I214-R218 PolarHBondContact O-N 2.8Å; I214-W277 HydrophobicContact CB-CZ3 4.49Å; I214-W277 HydrophobicContact CG1-CZ3 4.33Å; I214-W277 HydrophobicContact CG2-CE3 4.08Å; I214-W277 HydrophobicContact CG2-CH2 4.11Å; I214-W277 HydrophobicContact CG2-CZ3 3.56Å; I214-Q281 HydrophobicContact CG1-CG 3.97Å
215	K	91.4	Very high	84	Confident	126 Å²	126	56.7 Å²	56.7	55%	0.548	28%	0.275	S	S	.	.	H	α-helix	trans	-59.2	-46.4	177.8	-178.2	178.1	174.2	180	0	111.6	E211 T212 W213 R218 E219	E211-K215 WeakPolarHBondContact O-CB 3.22Å; E211-K215 PolarHBondContact O-N 3.28Å; T212-K215 WeakPolarHBondContact O-CB 3.42Å; T212-K215 PolarHBondContact O-N 3.5Å; W213-K215 VanDerWaalsContact C-N 3.28Å; W213-K215 PolarHBondContact O-N 2.75Å; K215-R218 PolarHBondContact O-N 3.24Å; K215-E219 WeakPolarHBondContact CE-OE1 3.16Å; K215-E219 WeakPolarHBondContact O-CB 3.41Å; K215-E219 WeakPolarHBondContact O-CG 3.41Å; K215-E219 PolarHBondContact O-N 2.88Å
216	L	91	Very high	86.2	Confident	18 Å²	18	49.1 Å²	49.1	9%	0.094	24%	0.24	C	C	.	.	H	α-helix	trans	-64.5	-42.4	178.6	-66.7	173.7	0	0	0	112.3	R188 L189 T212 W213 I214 R218 E219 A220	R188-L216 HydrophobicContact CB-CD1 3.93Å; R188-L216 HydrophobicContact CB-CD2 3.93Å; R188-L216 HydrophobicContact CG-CD2 4.34Å; L189-L216 HydrophobicContact CD1-CD1 4.5Å; L189-L216 HydrophobicContact CD2-CD1 3.74Å; L189-L216 HydrophobicContact CG-CD1 3.6Å; T212-L216 HydrophobicContact CG2-CD1 4.46Å; T212-L216 WeakPolarHBondContact O-CG 3.33Å; T212-L216 PolarHBondContact O-N 3.02Å; W213-L216 HydrophobicContact CE3-CB 4.3Å; W213-L216 PolarHBondContact O-N 3.01Å; I214-L216 PolarHBondContact O-N 3.22Å; L216-R218 VanDerWaalsContact C-N 3.35Å; L216-E219 PolarHBondContact O-N 2.84Å; L216-A220 WeakPolarHBondContact O-CB 3.42Å; L216-A220 PolarHBondContact O-N 3.34Å
217	L	93.4	Very high	88.4	Confident	3 Å²	3	49 Å²	49	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-42.8	175.4	-74.4	176.2	0	0	0	111.7	V163 W213 I214 A220 M221 W277 A280 Q281	V163-L217 HydrophobicContact CG2-CD2 4.26Å; W213-L217 HydrophobicContact CD2-CD1 3.92Å; W213-L217 HydrophobicContact CD2-CG 3.89Å; W213-L217 VanDerWaalsContact CE2-CD1 3.41Å; W213-L217 HydrophobicContact CE3-CG 4.01Å; W213-L217 HydrophobicContact CG-CD1 4.33Å; W213-L217 HydrophobicContact CH2-CD1 4.34Å; W213-L217 HydrophobicContact CH2-CD2 3.45Å; W213-L217 VanDerWaalsContact CH2-CD2 3.45Å; W213-L217 HydrophobicContact CH2-CG 3.81Å; W213-L217 HydrophobicContact CZ2-CD1 3.67Å; W213-L217 HydrophobicContact CZ2-CD2 3.52Å; W213-L217 HydrophobicContact CZ2-CG 3.66Å; W213-L217 HydrophobicContact CZ3-CD2 3.98Å; W213-L217 HydrophobicContact CZ3-CG 3.97Å; W213-L217 WeakPolarHBondContact O-CG 3.26Å; W213-L217 PolarHBondContact O-N 2.59Å; I214-L217 PolarHBondContact O-N 3.16Å; L217-A220 PolarHBondContact O-N 2.87Å; L217-M221 HydrophobicContact CD2-CE 3.65Å; L217-M221 HydrophobicContact CD2-SD 4.39Å; L217-M221 WeakPolarHBondContact O-CB 3.44Å; L217-M221 WeakPolarHBondContact O-CG 3.4Å; L217-M221 PolarHBondContact O-N 2.91Å; L217-W277 HydrophobicContact CB-CB 3.98Å; L217-A280 HydrophobicContact CD1-CB 4.21Å; L217-A280 HydrophobicContact CD2-CB 3.92Å; L217-Q281 HydrophobicContact CD1-CB 3.73Å
218	R	95	Very high	90.4	Very high	115 Å²	115	47.2 Å²	47.2	43%	0.434	24%	0.235	S	C	.	.	H	α-helix	trans	-66.2	-39.7	176.3	-72.8	-179.4	76	178.6	1.1	112.4	I214 K215 L216 A220 G222 E223 W277	I214-R218 HydrophobicContact CG2-CG 4.31Å; I214-R218 WeakPolarHBondContact O-CB 3.35Å; I214-R218 VanDerWaalsContact O-CG 3.29Å; I214-R218 WeakPolarHBondContact O-CG 3.12Å; I214-R218 PolarHBondContact O-N 2.8Å; K215-R218 PolarHBondContact O-N 3.24Å; L216-R218 VanDerWaalsContact C-N 3.35Å; R218-A220 VanDerWaalsContact C-N 3.34Å; R218-G222 WeakPolarHBondContact O-CA 3.19Å; R218-G222 PolarHBondContact O-N 2.87Å; R218-E223 IonicContact CZ-OE1 2.67Å; R218-E223 IonicContact NE-OE1 3.9Å; R218-E223 PolarHBondContact NE-OE1 2.85Å; R218-E223 IonicContact NH2-OE1 3.59Å; R218-E223 PolarHBondContact NH2-OE1 2.97Å; R218-E223 IonicContact NH2-OE2 2.81Å; R218-W277 HydrophobicContact CG-CB 4.31Å; R218-W277 HydrophobicContact CG-CD2 3.39Å; R218-W277 HydrophobicContact CG-CE3 3.83Å; R218-W277 HydrophobicContact CG-CG 3.63Å; R218-W277 HydrophobicContact CG-CH2 4.5Å; R218-W277 HydrophobicContact CG-CZ2 4.09Å; R218-W277 HydrophobicContact CG-CZ3 4.38Å
219	E	94.3	Very high	92	Very high	106 Å²	106	47 Å²	47	50%	0.495	24%	0.235	S	C	.	.	H	α-helix	trans	-62.4	-41	173.6	-77.5	177.3	-166.2	0	0	111.8	R188 K215 L216	R188-E219 IonicContact NH1-OE2 2.86Å; R188-E219 PolarHBondContact NH1-OE2 2.81Å; K215-E219 WeakPolarHBondContact CE-OE1 3.16Å; K215-E219 WeakPolarHBondContact O-CB 3.41Å; K215-E219 WeakPolarHBondContact O-CG 3.41Å; K215-E219 PolarHBondContact O-N 2.88Å; L216-E219 PolarHBondContact O-N 2.84Å
220	A	93.9	Very high	93.3	Very high	27 Å²	27	43.5 Å²	43.5	22%	0.223	22%	0.216	C	C	.	.	H	α-helix	trans	-75.4	-38.2	-178.5	0	0	0	0	0	113.4	L167 L171 I181 L216 L217 R218	L167-A220 HydrophobicContact CD2-CB 4.37Å; L171-A220 VanDerWaalsContact CD1-O 3.27Å; L171-A220 WeakPolarHBondContact CD1-O 3.47Å; I181-A220 HydrophobicContact CG2-CB 3.74Å; L216-A220 WeakPolarHBondContact O-CB 3.42Å; L216-A220 PolarHBondContact O-N 3.34Å; L217-A220 PolarHBondContact O-N 2.87Å; R218-A220 VanDerWaalsContact C-N 3.34Å
221	M	95.5	Very high	94	Very high	7 Å²	7	45.1 Å²	45.1	3%	0.034	22%	0.223	C	C	.	.	H	α-helix	trans	-108.8	-12.7	-169.6	-54.4	179.9	-175.3	0	0	114.4	V163 A166 L167 L171 L217 L276 W277 A280	V163-M221 HydrophobicContact CB-CE 4.45Å; V163-M221 HydrophobicContact CG1-CE 3.91Å; A166-M221 HydrophobicContact CB-CE 3.76Å; A166-M221 HydrophobicContact CB-SD 3.9Å; L167-M221 HydrophobicContact CD2-CE 4.43Å; L167-M221 HydrophobicContact CD2-CG 4.31Å; L171-M221 HydrophobicContact CD1-CB 4.37Å; L171-M221 HydrophobicContact CD1-CG 4.32Å; L217-M221 HydrophobicContact CD2-CE 3.65Å; L217-M221 HydrophobicContact CD2-SD 4.39Å; L217-M221 WeakPolarHBondContact O-CB 3.44Å; L217-M221 WeakPolarHBondContact O-CG 3.4Å; L217-M221 PolarHBondContact O-N 2.91Å; M221-L276 HydrophobicContact CB-CB 4.38Å; M221-L276 HydrophobicContact SD-CB 4.04Å; M221-W277 HydrophobicContact CB-CB 4.23Å; M221-W277 HydrophobicContact SD-CB 4.15Å; M221-A280 HydrophobicContact CE-CB 3.78Å; M221-A280 HydrophobicContact SD-CB 4Å
222	G	95.6	Very high	94.4	Very high	32 Å²	32	45.6 Å²	45.6	33%	0.33	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	-154.2	-172.7	0	0	0	0	0	112.2	R218	R218-G222 WeakPolarHBondContact O-CA 3.19Å; R218-G222 PolarHBondContact O-N 2.87Å
223	E	97.1	Very high	94.6	Very high	79 Å²	79	48.1 Å²	48.1	37%	0.369	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	20	179	-61.1	-59	150.2	0	0	113.1	R218 S225 K275 W277	R218-E223 IonicContact CZ-OE1 2.67Å; R218-E223 IonicContact NE-OE1 3.9Å; R218-E223 PolarHBondContact NE-OE1 2.85Å; R218-E223 IonicContact NH2-OE1 3.59Å; R218-E223 PolarHBondContact NH2-OE1 2.97Å; R218-E223 IonicContact NH2-OE2 2.81Å; E223-S225 PolarHBondContact O-N 3.07Å; E223-K275 HydrophobicContact CB-CD 4.44Å; E223-K275 WeakPolarHBondContact OE2-CD 3.3Å; E223-K275 VanDerWaalsContact OE2-CE 3.24Å; E223-K275 WeakPolarHBondContact OE2-CE 3.4Å; E223-K275 IonicContact OE2-NZ 3.32Å; E223-K275 PolarHBondContact OE2-NZ 3.33Å; E223-W277 PolarHBondContact OE2-NE1 2.99Å
224	K	97	Very high	94.7	Very high	82 Å²	82	50.7 Å²	50.7	36%	0.357	25%	0.25	S	C	.	.			trans	-66.1	127.2	-175.6	-168.6	174.7	-64.5	-158	0	111.1	L171 D228 T229 K275 L276	L171-K224 HydrophobicContact CD2-CD 4.01Å; K224-D228 HydrophobicContact CD-CB 4.41Å; K224-D228 HydrophobicContact CG-CB 3.7Å; K224-T229 HydrophobicContact CD-CG2 4.09Å; K224-T229 HydrophobicContact CG-CG2 4.47Å; K224-K275 WeakPolarHBondContact O-CA 3.47Å; K224-L276 HydrophobicContact CB-CD1 4.4Å; K224-L276 HydrophobicContact CD-CD1 4.39Å; K224-L276 HydrophobicContact CG-CD1 4.45Å; K224-L276 PolarHBondContact O-N 3.37Å
225	S	98.1	Very high	95	Very high	23 Å²	23	49.7 Å²	49.7	16%	0.161	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-78.4	161.3	172.8	79.8	0	0	0	0	112	E223 L227 D228	E223-S225 PolarHBondContact O-N 3.07Å; S225-L227 PolarHBondContact O-N 3.1Å; S225-L227 PolarHBondContact OG-N 2.84Å; S225-D228 WeakPolarHBondContact CB-OD2 3.37Å; S225-D228 PolarHBondContact N-OD2 3.3Å; S225-D228 PolarHBondContact O-N 3.1Å; S225-D228 PolarHBondContact OG-N 2.86Å; S225-D228 PolarHBondContact OG-OD1 2.82Å; S225-D228 PolarHBondContact OG-OD2 2.85Å
226	F	98.4	Very high	95.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-39.3	168.3	-89.8	-89	0	0	0	111.9	D228 T229 V238 M240 F255 R256 N257 F274 L276 A279	F226-D228 PolarHBondContact O-N 3.15Å; F226-T229 WeakPolarHBondContact O-CB 3.28Å; F226-T229 PolarHBondContact O-N 2.96Å; F226-T229 PolarHBondContact O-OG1 2.74Å; F226-V238 HydrophobicContact CE1-CB 4.46Å; F226-V238 HydrophobicContact CE1-CG1 4.2Å; F226-M240 HydrophobicContact CE1-CE 3.94Å; F226-M240 HydrophobicContact CE2-CE 3.6Å; F226-M240 HydrophobicContact CZ-CB 4.34Å; F226-M240 HydrophobicContact CZ-CE 3.13Å; F226-M240 HydrophobicContact CZ-CG 4.23Å; F226-M240 HydrophobicContact CZ-SD 4.47Å; F226-F255 HydrophobicContact CD2-CB 4.48Å; F226-F255 HydrophobicContact CE1-CB 4.39Å; F226-F255 HydrophobicContact CE2-CB 3.51Å; F226-F255 HydrophobicContact CE2-CG 4.47Å; F226-F255 VanDerWaalsContact CZ-C 3.5Å; F226-F255 HydrophobicContact CZ-CB 3.41Å; F226-F255 VanDerWaalsContact CZ-CB 3.41Å; F226-R256 WeakPolarHBondContact CB-O 3.29Å; F226-N257 HydrophobicContact CB-CB 4.14Å; F226-N257 HydrophobicContact CD1-CB 3.89Å; F226-N257 VanDerWaalsContact CD1-N 3.27Å; F226-N257 WeakPolarHBondContact O-CB 3.38Å; F226-F274 WeakPolarHBondContact CD2-O 3.41Å; F226-F274 PolarHBondContact N-O 2.89Å; F226-F274 VanDerWaalsContact N-O 3.11Å; F226-L276 HydrophobicContact CD1-CD2 3.96Å; F226-L276 HydrophobicContact CD2-CD2 4.01Å; F226-L276 HydrophobicContact CE1-CD2 4.06Å; F226-L276 HydrophobicContact CE2-CD2 4.05Å; F226-L276 HydrophobicContact CG-CD2 4Å; F226-L276 HydrophobicContact CZ-CD2 4.14Å; F226-A279 HydrophobicContact CE2-CB 3.49Å; F226-A279 VanDerWaalsContact CE2-CB 3.49Å; F226-A279 HydrophobicContact CZ-CB 3.98Å
227	L	98.1	Very high	95.6	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.016	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-67	-35.8	-179.8	-65.9	177.5	0	0	0	112.4	E61 L65 R101 A104 L105 S225 T229 T230 C272	E61-L227 HydrophobicContact CG-CD1 4.17Å; L65-L227 HydrophobicContact CD1-CD1 4.22Å; L65-L227 HydrophobicContact CD2-CD1 4.29Å; R101-L227 HydrophobicContact CB-CB 4.13Å; R101-L227 HydrophobicContact CG-CB 3.78Å; A104-L227 HydrophobicContact CB-CD2 4.31Å; L105-L227 HydrophobicContact CD1-CD1 3.91Å; L105-L227 HydrophobicContact CD2-CD1 4.18Å; L105-L227 HydrophobicContact CD2-CD2 3.98Å; L105-L227 HydrophobicContact CG-CD1 4.07Å; L105-L227 HydrophobicContact CG-CD2 3.86Å; S225-L227 PolarHBondContact O-N 3.1Å; S225-L227 PolarHBondContact OG-N 2.84Å; L227-T229 PolarHBondContact O-N 3.25Å; L227-T230 WeakPolarHBondContact O-CB 3.31Å; L227-T230 WeakPolarHBondContact O-CG2 3.24Å; L227-T230 PolarHBondContact O-N 3.04Å; L227-T230 PolarHBondContact O-OG1 3.38Å; L227-C272 HydrophobicContact CD2-CB 3.76Å; L227-C272 HydrophobicContact CG-CB 4.14Å
228	D	98	Very high	95.9	Very high	37 Å²	37	43.4 Å²	43.4	20%	0.198	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-61.6	-26.9	176.6	-55.7	-22.8	0	0	0	111.5	R101 K224 S225 F226 T230 E231	R101-D228 IonicContact CZ-OD1 2.71Å; R101-D228 IonicContact NH1-OD1 3.09Å; R101-D228 PolarHBondContact NH1-OD1 3.26Å; K224-D228 HydrophobicContact CD-CB 4.41Å; K224-D228 HydrophobicContact CG-CB 3.7Å; S225-D228 WeakPolarHBondContact CB-OD2 3.37Å; S225-D228 PolarHBondContact N-OD2 3.3Å; S225-D228 PolarHBondContact O-N 3.1Å; S225-D228 PolarHBondContact OG-N 2.86Å; S225-D228 PolarHBondContact OG-OD1 2.82Å; S225-D228 PolarHBondContact OG-OD2 2.85Å; F226-D228 PolarHBondContact O-N 3.15Å; D228-T230 PolarHBondContact O-N 3.4Å; D228-T230 VanDerWaalsContact O-N 3.15Å; D228-E231 VanDerWaalsContact O-CG 3.28Å; D228-E231 WeakPolarHBondContact O-CG 3.33Å; D228-E231 PolarHBondContact O-N 3.29Å
229	T	97.8	Very high	96	Very high	8 Å²	8	38 Å²	38	5%	0.049	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-66.6	-13.8	174.9	74.8	0	0	0	0	113.4	K224 F226 L227 H235 N257 L276	K224-T229 HydrophobicContact CD-CG2 4.09Å; K224-T229 HydrophobicContact CG-CG2 4.47Å; F226-T229 WeakPolarHBondContact O-CB 3.28Å; F226-T229 PolarHBondContact O-N 2.96Å; F226-T229 PolarHBondContact O-OG1 2.74Å; L227-T229 PolarHBondContact O-N 3.25Å; T229-H235 WeakPolarHBondContact O-CB 3.47Å; T229-N257 VanDerWaalsContact OG1-CB 3.23Å; T229-N257 WeakPolarHBondContact OG1-CB 3.39Å; T229-N257 PolarHBondContact OG1-ND2 2.98Å; T229-L276 HydrophobicContact CG2-CD1 3.97Å; T229-L276 HydrophobicContact CG2-CD2 4.22Å; T229-L276 HydrophobicContact CG2-CG 4.45Å
230	T	97.2	Very high	96.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-93.1	-11.1	-176.2	75.3	0	0	0	0	114.4	A100 A104 L227 D228 R232 H235 N257	A100-T230 WeakPolarHBondContact CB-O 3.25Å; A104-T230 HydrophobicContact CB-CG2 3.88Å; L227-T230 WeakPolarHBondContact O-CB 3.31Å; L227-T230 WeakPolarHBondContact O-CG2 3.24Å; L227-T230 PolarHBondContact O-N 3.04Å; L227-T230 PolarHBondContact O-OG1 3.38Å; D228-T230 PolarHBondContact O-N 3.4Å; D228-T230 VanDerWaalsContact O-N 3.15Å; T230-R232 VanDerWaalsContact C-N 3.3Å; T230-R232 PolarHBondContact O-N 3.13Å; T230-H235 PolarHBondContact O-ND1 2.87Å; T230-N257 HydrophobicContact CG2-CB 3.86Å; T230-N257 WeakPolarHBondContact CG2-O 3.47Å
231	E	95.9	Very high	96.5	Very high	50 Å²	50	31.6 Å²	31.6	23%	0.234	16%	0.161	C	C	.	.	S	Bend	trans	-56.2	-45.2	-175.3	-68	174.5	168.2	0	0	111.6	R87 D97 R101 D228	R87-E231 PolarHBondContact NH2-O 3.15Å; D97-E231 HydrophobicContact CB-CB 4.2Å; D97-E231 HydrophobicContact CB-CG 3.75Å; R101-E231 IonicContact CZ-OE1 2.91Å; R101-E231 IonicContact NH1-OE1 3.85Å; R101-E231 PolarHBondContact NH1-OE1 2.94Å; D228-E231 VanDerWaalsContact O-CG 3.28Å; D228-E231 WeakPolarHBondContact O-CG 3.33Å; D228-E231 PolarHBondContact O-N 3.29Å
232	R	92.8	Very high	96.6	Very high	161 Å²	161	31.3 Å²	31.3	61%	0.608	16%	0.16	S	C	*	.	S	Bend	trans	-71.9	132.8	175.2	-74.1	-171.2	177.1	-143.2	0.7	111.4	T230 D234 H235	T230-R232 VanDerWaalsContact C-N 3.3Å; T230-R232 PolarHBondContact O-N 3.13Å; R232-D234 VanDerWaalsContact C-N 3.34Å; R232-D234 WeakPolarHBondContact CB-OD1 3.38Å; R232-D234 PolarHBondContact O-N 3.3Å; R232-H235 PolarHBondContact O-N 2.81Å; R232-H235 PolarHBondContact O-ND1 2.82Å
233	P	88.4	Confident	96.6	Very high	74 Å²	74	29.8 Å²	29.8	48%	0.481	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-46.6	-176.7	-27.7	35	0	0	0	113.1	R110 H235	R110-P233 PolarHBondContact NE-O 3.03Å; R110-P233 PolarHBondContact NH1-O 2.73Å; R110-P233 PolarHBondContact NH2-O 2.89Å; P233-H235 PolarHBondContact O-N 2.84Å; P233-H235 VanDerWaalsContact O-N 3.1Å; P233-H235 PolarHBondContact O-ND1 2.78Å
234	D	90.8	Very high	96.5	Very high	73 Å²	73	26.1 Å²	26.1	39%	0.39	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	19.1	-177.3	67.9	-27.3	0	0	0	114.8	R172 R232	R172-D234 IonicContact CZ-OD1 3.17Å; R172-D234 VanDerWaalsContact CZ-OD1 3.26Å; R172-D234 IonicContact CZ-OD2 3.92Å; R172-D234 IonicContact NH1-OD1 2.69Å; R172-D234 PolarHBondContact NH1-OD1 2.96Å; R172-D234 IonicContact NH1-OD2 2.91Å; R172-D234 PolarHBondContact NH1-OD2 3.39Å; R172-D234 IonicContact NH2-OD1 2.86Å; R172-D234 PolarHBondContact NH2-OD1 2.87Å; R232-D234 VanDerWaalsContact C-N 3.34Å; R232-D234 WeakPolarHBondContact CB-OD1 3.38Å; R232-D234 PolarHBondContact O-N 3.3Å
235	H	95.5	Very high	96.1	Very high	20 Å²	20	25.6 Å²	25.6	9%	0.093	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-64.7	141.7	-180	70	-88	0	0	0	112.7	R110 R172 T229 T230 R232 P233 K237	R110-H235 PolarHBondContact NH2-O 3.24Å; R172-H235 VanDerWaalsContact NH2-N 3.18Å; T229-H235 WeakPolarHBondContact O-CB 3.47Å; T230-H235 PolarHBondContact O-ND1 2.87Å; R232-H235 PolarHBondContact O-N 2.81Å; R232-H235 PolarHBondContact O-ND1 2.82Å; P233-H235 PolarHBondContact O-N 2.84Å; P233-H235 VanDerWaalsContact O-N 3.1Å; P233-H235 PolarHBondContact O-ND1 2.78Å; H235-K237 PolarHBondContact NE2-NZ 2.91Å
236	I	97.1	Very high	95.4	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.026	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-80.1	151.9	167.1	-167.2	174.7	0	0	0	110	H149 F152 D153 I155 V238 N257	H149-I236 HydrophobicContact CB-CG2 4.1Å; F152-I236 HydrophobicContact CB-CD1 3.6Å; F152-I236 VanDerWaalsContact O-CD1 3.31Å; F152-I236 WeakPolarHBondContact O-CD1 3.46Å; F152-I236 WeakPolarHBondContact O-CG1 3.33Å; D153-I236 VanDerWaalsContact C-CG1 3.42Å; D153-I236 WeakPolarHBondContact O-CG1 3.41Å; I155-I236 HydrophobicContact CB-CD1 3.9Å; I155-I236 HydrophobicContact CG2-CD1 3.84Å; I155-I236 HydrophobicContact CG2-CG1 4.37Å; I155-I236 HydrophobicContact CG2-CG2 4.23Å; I236-V238 HydrophobicContact CG2-CG2 3.9Å; I236-N257 PolarHBondContact O-ND2 3.07Å
237	K	98.4	Very high	94.6	Very high	9 Å²	9	31.4 Å²	31.4	4%	0.039	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	130.7	168.3	-62.2	-47.4	-166	-176.4	0	110.3	D153 Y154 I155 H235 N257 Y258 L321 W322	D153-K237 PolarHBondContact O-N 3.33Å; Y154-K237 CarbonylContact C-O 3.54Å; Y154-K237 WeakPolarHBondContact CA-O 3.31Å; Y154-K237 HydrophobicContact CD2-CB 3.31Å; Y154-K237 HydrophobicContact CD2-CG 4.33Å; Y154-K237 HydrophobicContact CE2-CB 3.93Å; Y154-K237 HydrophobicContact CG-CB 4.15Å; I155-K237 PolarHBondContact N-O 2.9Å; H235-K237 PolarHBondContact NE2-NZ 2.91Å; K237-N257 WeakPolarHBondContact CA-OD1 3.29Å; K237-Y258 HydrophobicContact CB-CD1 3.93Å; K237-Y258 HydrophobicContact CB-CE1 4.28Å; K237-Y258 HydrophobicContact CD-CD1 4.04Å; K237-Y258 HydrophobicContact CD-CG 4.25Å; K237-Y258 HydrophobicContact CG-CD1 4.28Å; K237-L321 HydrophobicContact CB-CD1 4.43Å; K237-L321 HydrophobicContact CG-CD1 4.15Å; K237-W322 HydrophobicContact CB-CH2 4.33Å; K237-W322 HydrophobicContact CG-CH2 3.72Å; K237-W322 HydrophobicContact CG-CZ2 4.21Å
238	V	98.7	Very high	93.8	Very high	1 Å²	1	41 Å²	41	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.9	-175.7	-176.5	0	0	0	0	108.9	I155 F226 I236 R256 N257	I155-V238 HydrophobicContact CG2-CB 4.28Å; I155-V238 HydrophobicContact CG2-CG1 4.28Å; I155-V238 HydrophobicContact CG2-CG2 3.85Å; I155-V238 CarbonylContact O-C 3.44Å; I155-V238 WeakPolarHBondContact O-CA 3.41Å; F226-V238 HydrophobicContact CE1-CB 4.46Å; F226-V238 HydrophobicContact CE1-CG1 4.2Å; I236-V238 HydrophobicContact CG2-CG2 3.9Å; V238-R256 VanDerWaalsContact O-CA 3.26Å; V238-R256 WeakPolarHBondContact O-CA 3.29Å; V238-N257 PolarHBondContact N-OD1 3Å; V238-N257 PolarHBondContact O-N 2.91Å
239	G	98.7	Very high	93.4	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.7	171.2	0	0	0	0	0	111.8	I155 I156 G157 F255	I155-G239 PolarHBondContact O-N 3.11Å; I156-G239 VanDerWaalsContact CA-O 3.28Å; I156-G239 WeakPolarHBondContact CA-O 3.33Å; G157-G239 PolarHBondContact N-O 3.35Å; G157-G239 VanDerWaalsContact N-O 3.1Å; G239-F255 CarbonylContact C-O 3.6Å; G239-F255 WeakPolarHBondContact CA-O 3.43Å
240	M	98.8	Very high	93	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.7	171.8	-67.4	-166	-89.6	0	0	109.4	G157 A162 A166 F226 F255 L276 A279 A280	G157-M240 WeakPolarHBondContact O-CA 3.4Å; A162-M240 HydrophobicContact CB-CB 3.82Å; A162-M240 HydrophobicContact CB-CG 3.7Å; A162-M240 HydrophobicContact CB-SD 3.75Å; A166-M240 HydrophobicContact CB-CE 3.99Å; A166-M240 HydrophobicContact CB-SD 3.92Å; F226-M240 HydrophobicContact CE1-CE 3.94Å; F226-M240 HydrophobicContact CE2-CE 3.6Å; F226-M240 HydrophobicContact CZ-CB 4.34Å; F226-M240 HydrophobicContact CZ-CE 3.13Å; F226-M240 HydrophobicContact CZ-CG 4.23Å; F226-M240 HydrophobicContact CZ-SD 4.47Å; M240-F255 HydrophobicContact CB-CB 4.35Å; M240-F255 PolarHBondContact N-O 3.29Å; M240-F255 PolarHBondContact O-N 3.39Å; M240-L276 HydrophobicContact CE-CB 4.36Å; M240-L276 HydrophobicContact CE-CD2 3.89Å; M240-L276 WeakPolarHBondContact CE-O 3.47Å; M240-A279 HydrophobicContact CE-CB 3.68Å; M240-A279 HydrophobicContact SD-CB 4.48Å; M240-A280 HydrophobicContact SD-CB 4.38Å
241	V	98.4	Very high	92.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.7	-173.4	-175.1	0	0	0	0	110.3	I156 G157 V158 P252 S283 T307 P310 V313	I156-V241 HydrophobicContact CD1-CG2 3.7Å; I156-V241 HydrophobicContact CG1-CG2 3.91Å; G157-V241 PolarHBondContact O-N 3.02Å; V158-V241 HydrophobicContact CB-CB 4.16Å; V158-V241 HydrophobicContact CG2-CB 4.16Å; V158-V241 HydrophobicContact CG2-CG1 4.5Å; V241-P252 HydrophobicContact CG1-CB 4.23Å; V241-S283 WeakPolarHBondContact O-CB 3.33Å; V241-S283 PolarHBondContact O-OG 3.46Å; V241-T307 HydrophobicContact CG1-CG2 4.27Å; V241-P310 HydrophobicContact CG2-CB 4.08Å; V241-V313 HydrophobicContact CG2-CG1 4.38Å
242	S	97.4	Very high	92.9	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	179.4	162	63.1	0	0	0	0	108.9	F253 F255 H300	S242-F253 PolarHBondContact N-O 2.83Å; S242-F253 PolarHBondContact O-N 3.3Å; S242-F253 PolarHBondContact OG-O 2.95Å; S242-F255 VanDerWaalsContact OG-CE2 3.28Å; S242-F255 WeakPolarHBondContact OG-CE2 3.24Å; S242-H300 PolarHBondContact OG-ND1 3.18Å
243	C	95.3	Very high	93.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.3	164.7	65.1	0	0	0	0	111.1	L250 V251 H300 Q301 D302 I306	C243-L250 HydrophobicContact CB-CB 4.38Å; C243-V251 VanDerWaalsContact CA-O 3.26Å; C243-V251 WeakPolarHBondContact CA-O 3.46Å; C243-H300 WeakPolarHBondContact O-CA 3.17Å; C243-Q301 PolarHBondContact N-O 3.32Å; C243-Q301 PolarHBondContact O-N 3.16Å; C243-D302 PolarHBondContact SG-O 3.47Å; C243-I306 HydrophobicContact CB-CD1 3.48Å; C243-I306 VanDerWaalsContact CB-CD1 3.48Å; C243-I306 HydrophobicContact CB-CG1 3.81Å
244	V	95	Very high	93.6	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	153.6	176.3	-62.9	0	0	0	0	109.3	S246 L250 V251 F253 R298 H300	V244-S246 PolarHBondContact O-N 2.81Å; V244-L250 WeakPolarHBondContact O-CA 3.33Å; V244-V251 HydrophobicContact CG2-CG2 3.79Å; V244-V251 PolarHBondContact N-O 3.19Å; V244-V251 PolarHBondContact O-N 3Å; V244-F253 HydrophobicContact CG1-CB 3.9Å; V244-F253 HydrophobicContact CG1-CD2 4.26Å; V244-F253 HydrophobicContact CG1-CG 4.2Å; V244-F253 HydrophobicContact CG2-CB 4.09Å; V244-F253 HydrophobicContact CG2-CD2 4.3Å; V244-R298 HydrophobicContact CG1-CB 4.13Å; V244-H300 WeakPolarHBondContact CG1-CE1 3.38Å; V244-H300 VanDerWaalsContact CG1-ND1 3.32Å; V244-H300 WeakPolarHBondContact CG1-ND1 3.37Å
245	S	88.7	Confident	93.9	Very high	72 Å²	72	34.7 Å²	34.7	50%	0.503	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	123.2	173.9	-56.6	0	0	0	0	110.8
246	S	83.6	Confident	94.1	Very high	71 Å²	71	34.5 Å²	34.5	50%	0.497	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	97.7	168.3	-175	0	0	0	0	108.5	V244 H248 E249	V244-S246 PolarHBondContact O-N 2.81Å; S246-H248 PolarHBondContact O-N 3.07Å; S246-E249 PolarHBondContact N-O 2.82Å; S246-E249 PolarHBondContact O-N 3.04Å
247	G	82.5	Confident	94.1	Very high	74 Å²	74	34.3 Å²	34.3	76%	0.763	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	-116.3	-170.2	0	0	0	0	0	111.3
248	H	81.7	Confident	94.1	Very high	203 Å²	203	33.9 Å²	33.9	94%	0.94	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-2	179.3	-64.5	-75.2	0	0	0	113.8	S246	S246-H248 PolarHBondContact O-N 3.07Å
249	E	87.8	Confident	93.9	Very high	143 Å²	143	35.4 Å²	35.4	67%	0.668	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	148.9	-174.6	-63.2	-178.9	168.6	0	0	111	S246	S246-E249 PolarHBondContact N-O 2.82Å; S246-E249 PolarHBondContact O-N 3.04Å
250	L	90.2	Very high	93.7	Very high	58 Å²	58	35.8 Å²	35.8	30%	0.304	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.3	165.4	-69.9	176.5	0	0	0	108.4	C243 V244 M305 I306	C243-L250 HydrophobicContact CB-CB 4.38Å; V244-L250 WeakPolarHBondContact O-CA 3.33Å; L250-M305 HydrophobicContact CD1-CB 4.41Å; L250-I306 HydrophobicContact CB-CD1 4.2Å; L250-I306 HydrophobicContact CB-CG2 3.87Å; L250-I306 HydrophobicContact CD1-CG2 4.46Å; L250-I306 WeakPolarHBondContact O-CD1 3.41Å
251	V	94	Very high	93.2	Very high	41 Å²	41	37.3 Å²	37.3	25%	0.248	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	147.8	177.2	-61.7	0	0	0	0	110.9	C243 V244	C243-V251 VanDerWaalsContact CA-O 3.26Å; C243-V251 WeakPolarHBondContact CA-O 3.46Å; V244-V251 HydrophobicContact CG2-CG2 3.79Å; V244-V251 PolarHBondContact N-O 3.19Å; V244-V251 PolarHBondContact O-N 3Å
252	P	96.5	Very high	92.5	Very high	21 Å²	21	41.5 Å²	41.5	14%	0.136	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	139.5	177.8	-19.6	32.8	0	0	0	111.2	V241 F268 I306 T307	V241-P252 HydrophobicContact CG1-CB 4.23Å; P252-F268 HydrophobicContact CB-CD1 3.85Å; P252-F268 HydrophobicContact CB-CE1 4.32Å; P252-F268 HydrophobicContact CB-CG 4.49Å; P252-F268 HydrophobicContact CG-CD1 3.87Å; P252-F268 HydrophobicContact CG-CE1 3.91Å; P252-I306 HydrophobicContact CB-CD1 4.43Å; P252-I306 HydrophobicContact CG-CD1 3.76Å; P252-T307 WeakPolarHBondContact CG-OG1 3.45Å
253	F	97.7	Very high	92.1	Very high	9 Å²	9	45.3 Å²	45.3	4%	0.039	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.5	172.7	-175.4	-77.7	0	0	0	109.7	S242 V244 F255 E269 T271 H300	S242-F253 PolarHBondContact N-O 2.83Å; S242-F253 PolarHBondContact O-N 3.3Å; S242-F253 PolarHBondContact OG-O 2.95Å; V244-F253 HydrophobicContact CG1-CB 3.9Å; V244-F253 HydrophobicContact CG1-CD2 4.26Å; V244-F253 HydrophobicContact CG1-CG 4.2Å; V244-F253 HydrophobicContact CG2-CB 4.09Å; V244-F253 HydrophobicContact CG2-CD2 4.3Å; F253-F255 HydrophobicContact CD1-CD1 4.49Å; F253-F255 HydrophobicContact CD1-CD2 4.16Å; F253-F255 HydrophobicContact CD1-CE1 4.28Å; F253-F255 AromaticContact CD1-CE2 3.93Å; F253-F255 HydrophobicContact CD1-CE2 3.93Å; F253-F255 HydrophobicContact CD1-CG 4.43Å; F253-F255 AromaticContact CD1-CZ 3.98Å; F253-F255 HydrophobicContact CD1-CZ 3.98Å; F253-F255 AromaticContact CE1-CD1 3.91Å; F253-F255 HydrophobicContact CE1-CD1 3.91Å; F253-F255 HydrophobicContact CE1-CD2 4.38Å; F253-F255 AromaticContact CE1-CE1 3.71Å; F253-F255 HydrophobicContact CE1-CE1 3.71Å; F253-F255 HydrophobicContact CE1-CE2 4.21Å; F253-F255 HydrophobicContact CE1-CG 4.24Å; F253-F255 AromaticContact CE1-CZ 3.87Å; F253-F255 HydrophobicContact CE1-CZ 3.87Å; F253-E269 WeakPolarHBondContact CA-O 3.48Å; F253-E269 HydrophobicContact CD2-CB 3.88Å; F253-E269 HydrophobicContact CD2-CG 3.83Å; F253-E269 HydrophobicContact CE2-CB 4.22Å; F253-E269 HydrophobicContact CE2-CG 3.66Å; F253-T271 HydrophobicContact CE1-CG2 3.72Å; F253-T271 HydrophobicContact CZ-CG2 3.65Å; F253-H300 AromaticContact CD1-CE1 3.49Å; F253-H300 VanDerWaalsContact CD1-CE1 3.49Å; F253-H300 WeakPolarHBondContact CD1-CE1 3.44Å; F253-H300 AromaticContact CE1-CE1 3.74Å; F253-H300 AromaticContact CG-CE1 3.72Å
254	I	98.2	Very high	91.8	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	112.7	-171.9	-50.5	178.4	0	0	0	110.6	R256 F268 E269 G270 T271 V313 E317	I254-R256 HydrophobicContact CG2-CB 4.21Å; I254-R256 HydrophobicContact CG2-CG 4.47Å; I254-F268 HydrophobicContact CD1-CB 3.62Å; I254-F268 HydrophobicContact CD1-CD2 3.86Å; I254-F268 HydrophobicContact CD1-CG 4.04Å; I254-F268 HydrophobicContact CG1-CB 3.96Å; I254-E269 PolarHBondContact N-O 2.88Å; I254-G270 CarbonylContact O-C 3.4Å; I254-G270 WeakPolarHBondContact O-CA 3.45Å; I254-T271 PolarHBondContact O-N 3.22Å; I254-V313 HydrophobicContact CD1-CG1 3.43Å; I254-V313 VanDerWaalsContact CD1-CG1 3.43Å; I254-V313 HydrophobicContact CG1-CG1 4.16Å; I254-E317 HydrophobicContact CD1-CG 3.71Å
255	F	98.7	Very high	91.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	130.8	162.8	-57.3	-88.8	0	0	0	109.2	F226 G239 M240 S242 F253 T271 F274 A279 A282 L295 H300	F226-F255 HydrophobicContact CD2-CB 4.48Å; F226-F255 HydrophobicContact CE1-CB 4.39Å; F226-F255 HydrophobicContact CE2-CB 3.51Å; F226-F255 HydrophobicContact CE2-CG 4.47Å; F226-F255 VanDerWaalsContact CZ-C 3.5Å; F226-F255 HydrophobicContact CZ-CB 3.41Å; F226-F255 VanDerWaalsContact CZ-CB 3.41Å; G239-F255 CarbonylContact C-O 3.6Å; G239-F255 WeakPolarHBondContact CA-O 3.43Å; M240-F255 HydrophobicContact CB-CB 4.35Å; M240-F255 PolarHBondContact N-O 3.29Å; M240-F255 PolarHBondContact O-N 3.39Å; S242-F255 VanDerWaalsContact OG-CE2 3.28Å; S242-F255 WeakPolarHBondContact OG-CE2 3.24Å; F253-F255 HydrophobicContact CD1-CD1 4.49Å; F253-F255 HydrophobicContact CD1-CD2 4.16Å; F253-F255 HydrophobicContact CD1-CE1 4.28Å; F253-F255 AromaticContact CD1-CE2 3.93Å; F253-F255 HydrophobicContact CD1-CE2 3.93Å; F253-F255 HydrophobicContact CD1-CG 4.43Å; F253-F255 AromaticContact CD1-CZ 3.98Å; F253-F255 HydrophobicContact CD1-CZ 3.98Å; F253-F255 AromaticContact CE1-CD1 3.91Å; F253-F255 HydrophobicContact CE1-CD1 3.91Å; F253-F255 HydrophobicContact CE1-CD2 4.38Å; F253-F255 AromaticContact CE1-CE1 3.71Å; F253-F255 HydrophobicContact CE1-CE1 3.71Å; F253-F255 HydrophobicContact CE1-CE2 4.21Å; F253-F255 HydrophobicContact CE1-CG 4.24Å; F253-F255 AromaticContact CE1-CZ 3.87Å; F253-F255 HydrophobicContact CE1-CZ 3.87Å; F255-T271 HydrophobicContact CD1-CG2 4.02Å; F255-T271 HydrophobicContact CE1-CG2 4.39Å; F255-F274 HydrophobicContact CD1-CB 4.21Å; F255-F274 AromaticContact CD1-CD2 3.77Å; F255-F274 HydrophobicContact CD1-CD2 3.77Å; F255-F274 HydrophobicContact CD1-CG 4.33Å; F255-F274 HydrophobicContact CE1-CB 4.38Å; F255-F274 AromaticContact CE1-CD2 3.51Å; F255-F274 HydrophobicContact CE1-CD2 3.51Å; F255-F274 HydrophobicContact CE1-CE2 4.03Å; F255-F274 HydrophobicContact CE1-CG 4.1Å; F255-A279 HydrophobicContact CB-CB 3.55Å; F255-A279 HydrophobicContact CD1-CB 3.7Å; F255-A279 HydrophobicContact CD2-CB 3.66Å; F255-A279 HydrophobicContact CE1-CB 4.27Å; F255-A279 HydrophobicContact CE2-CB 4.22Å; F255-A279 HydrophobicContact CG-CB 3.36Å; F255-A282 HydrophobicContact CE2-CB 3.66Å; F255-A282 HydrophobicContact CZ-CB 3.68Å; F255-L295 HydrophobicContact CE1-CD1 3.85Å; F255-L295 HydrophobicContact CZ-CD1 3.74Å; F255-H300 AromaticContact CE2-CE1 3.97Å; F255-H300 AromaticContact CE2-ND1 3.84Å; F255-H300 AromaticContact CZ-CE1 3.38Å; F255-H300 WeakPolarHBondContact CZ-CE1 3.38Å; F255-H300 AromaticContact CZ-ND1 3.59Å; F255-H300 AromaticContact CZ-NE2 3.89Å
256	R	98.3	Very high	91.7	Very high	15 Å²	15	55.6 Å²	55.6	6%	0.057	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	153	-168.7	50.1	178.2	-172.3	-135.3	-5.8	114.5	F226 V238 I254 Y258 H260 T271 C272 E317	F226-R256 WeakPolarHBondContact CB-O 3.29Å; V238-R256 VanDerWaalsContact O-CA 3.26Å; V238-R256 WeakPolarHBondContact O-CA 3.29Å; I254-R256 HydrophobicContact CG2-CB 4.21Å; I254-R256 HydrophobicContact CG2-CG 4.47Å; R256-Y258 VanDerWaalsContact C-N 3.3Å; R256-Y258 HydrophobicContact CB-CD1 3.9Å; R256-Y258 HydrophobicContact CB-CE1 3.46Å; R256-Y258 VanDerWaalsContact CB-CE1 3.46Å; R256-Y258 HydrophobicContact CB-CE2 4.31Å; R256-Y258 HydrophobicContact CB-CG 4.43Å; R256-Y258 VanDerWaalsContact CD-CZ 3.5Å; R256-Y258 WeakPolarHBondContact CD-O 3.49Å; R256-Y258 HydrophobicContact CG-CE1 4.41Å; R256-Y258 HydrophobicContact CG-CE2 4.43Å; R256-Y258 VanDerWaalsContact CG-O 3.29Å; R256-Y258 WeakPolarHBondContact CG-O 3.5Å; R256-Y258 PolarHBondContact NE-O 3.41Å; R256-H260 PolarHBondContact NH1-CE1 3.21Å; R256-T271 PolarHBondContact N-O 2.88Å; R256-C272 WeakPolarHBondContact O-CA 3.5Å; R256-C272 WeakPolarHBondContact O-CB 3.41Å; R256-C272 PolarHBondContact O-SG 3.31Å; R256-C272 VanDerWaalsContact O-SG 3.36Å; R256-E317 IonicContact CZ-OE2 3.28Å; R256-E317 IonicContact NH1-OE1 3.26Å; R256-E317 IonicContact NH1-OE2 3.84Å; R256-E317 PolarHBondContact NH1-OE2 3.41Å
257	N	98	Very high	92.2	Very high	1 Å²	1	57 Å²	57	1%	0.005	30%	0.3	C	S	.	.	S	Bend	trans	-93.9	23.6	174.2	70.2	-6.3	0	0	0	113.6	F226 T229 T230 I236 K237 V238	F226-N257 HydrophobicContact CB-CB 4.14Å; F226-N257 HydrophobicContact CD1-CB 3.89Å; F226-N257 VanDerWaalsContact CD1-N 3.27Å; F226-N257 WeakPolarHBondContact O-CB 3.38Å; T229-N257 VanDerWaalsContact OG1-CB 3.23Å; T229-N257 WeakPolarHBondContact OG1-CB 3.39Å; T229-N257 PolarHBondContact OG1-ND2 2.98Å; T230-N257 HydrophobicContact CG2-CB 3.86Å; T230-N257 WeakPolarHBondContact CG2-O 3.47Å; I236-N257 PolarHBondContact O-ND2 3.07Å; K237-N257 WeakPolarHBondContact CA-OD1 3.29Å; V238-N257 PolarHBondContact N-OD1 3Å; V238-N257 PolarHBondContact O-N 2.91Å
258	Y	97.3	Very high	92.7	Very high	1 Å²	1	55.8 Å²	55.8	0%	0.004	27%	0.274	C	S	.	.			trans	-149.3	152.2	-179.1	59.5	-88.2	0	0	0	109.9	Y154 K237 R256 H260 C272 E317 L321	Y154-Y258 HydrophobicContact CD2-CE1 4.31Å; Y154-Y258 HydrophobicContact CE2-CD1 4.31Å; Y154-Y258 AromaticContact CE2-CE1 3.36Å; Y154-Y258 HydrophobicContact CE2-CE1 3.36Å; Y154-Y258 AromaticContact CE2-CZ 3.54Å; Y154-Y258 WeakPolarHBondContact CE2-OH 3.41Å; Y154-Y258 PolarHBondContact OH-OH 3.23Å; K237-Y258 HydrophobicContact CB-CD1 3.93Å; K237-Y258 HydrophobicContact CB-CE1 4.28Å; K237-Y258 HydrophobicContact CD-CD1 4.04Å; K237-Y258 HydrophobicContact CD-CG 4.25Å; K237-Y258 HydrophobicContact CG-CD1 4.28Å; R256-Y258 VanDerWaalsContact C-N 3.3Å; R256-Y258 HydrophobicContact CB-CD1 3.9Å; R256-Y258 HydrophobicContact CB-CE1 3.46Å; R256-Y258 VanDerWaalsContact CB-CE1 3.46Å; R256-Y258 HydrophobicContact CB-CE2 4.31Å; R256-Y258 HydrophobicContact CB-CG 4.43Å; R256-Y258 VanDerWaalsContact CD-CZ 3.5Å; R256-Y258 WeakPolarHBondContact CD-O 3.49Å; R256-Y258 HydrophobicContact CG-CE1 4.41Å; R256-Y258 HydrophobicContact CG-CE2 4.43Å; R256-Y258 VanDerWaalsContact CG-O 3.29Å; R256-Y258 WeakPolarHBondContact CG-O 3.5Å; R256-Y258 PolarHBondContact NE-O 3.41Å; Y258-H260 AromaticContact CE2-CE1 3.96Å; Y258-H260 AromaticContact CE2-NE2 3.67Å; Y258-C272 PolarHBondContact O-SG 2.9Å; Y258-E317 WeakPolarHBondContact CE2-OE2 3.22Å; Y258-E317 WeakPolarHBondContact OH-CG 3.18Å; Y258-E317 PolarHBondContact OH-OE2 3.04Å; Y258-L321 HydrophobicContact CD1-CD1 4.43Å; Y258-L321 HydrophobicContact CD2-CD1 3.93Å; Y258-L321 HydrophobicContact CD2-CD2 3.59Å; Y258-L321 HydrophobicContact CD2-CG 4.11Å; Y258-L321 HydrophobicContact CE1-CD1 4.41Å; Y258-L321 HydrophobicContact CE2-CD1 3.86Å; Y258-L321 HydrophobicContact CE2-CD2 4.17Å; Y258-L321 HydrophobicContact CE2-CG 4.2Å; Y258-L321 HydrophobicContact CG-CD1 4.23Å; Y258-L321 HydrophobicContact CG-CD2 4.08Å
259	N	95.4	Very high	93.3	Very high	33 Å²	33	50.1 Å²	50.1	18%	0.176	25%	0.248	C	C	.	.			trans	-106.2	165.9	159.6	-151.4	7.1	0	0	0	110.1	L71 A104 L105 G107	L71-N259 WeakPolarHBondContact CD1-ND2 3.44Å; A104-N259 WeakPolarHBondContact O-CB 3.45Å; A104-N259 PolarHBondContact O-N 2.84Å; L105-N259 VanDerWaalsContact O-CB 3.22Å; L105-N259 WeakPolarHBondContact O-CB 3.49Å; L105-N259 PolarHBondContact O-ND2 3.18Å; G107-N259 WeakPolarHBondContact CA-O 3.36Å
260	H	93.6	Very high	93.7	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.032	23%	0.227	C	C	.	.			trans	-85.2	153.8	174.7	-63.6	107.7	0	0	0	111.1	R256 Y258 R264 E317 L320	R256-H260 PolarHBondContact NH1-CE1 3.21Å; Y258-H260 AromaticContact CE2-CE1 3.96Å; Y258-H260 AromaticContact CE2-NE2 3.67Å; H260-R264 HydrophobicContact CB-CB 4.14Å; H260-R264 VanDerWaalsContact CB-O 3.27Å; H260-R264 WeakPolarHBondContact CB-O 3.32Å; H260-E317 VanDerWaalsContact CE1-CD 3.5Å; H260-E317 IonicContact CE1-OE1 2.85Å; H260-E317 PolarHBondContact CE1-OE1 3.48Å; H260-E317 IonicContact CE1-OE2 3.61Å; H260-E317 PolarHBondContact CE1-OE2 3.49Å; H260-E317 IonicContact NE2-OE1 2.65Å; H260-E317 IonicContact NE2-OE2 3.85Å; H260-E317 PolarHBondContact NE2-OE2 3.18Å; H260-L320 WeakPolarHBondContact CD2-CB 3.39Å
261	P	88.1	Confident	94	Very high	32 Å²	32	43.4 Å²	43.4	21%	0.208	22%	0.224	C	C	.	.			trans	-52.4	148.4	166.4	-25.1	34.3	0	0	0	111.6	D263 R264	P261-D263 PolarHBondContact O-N 3.31Å; P261-R264 HydrophobicContact CB-CB 4.5Å; P261-R264 HydrophobicContact CB-CG 4.05Å; P261-R264 HydrophobicContact CG-CG 4.31Å; P261-R264 WeakPolarHBondContact O-CA 3.49Å; P261-R264 WeakPolarHBondContact O-CB 3.38Å; P261-R264 PolarHBondContact O-N 2.65Å
262	F	84.9	Confident	94.1	Very high	89 Å²	89	41.8 Å²	41.8	39%	0.39	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.8	-170.1	80.8	-79.1	0	0	0	115.8	Y265	F262-Y265 PolarHBondContact O-OH 2.93Å
263	D	87.8	Confident	94	Very high	79 Å²	79	42.7 Å²	42.7	42%	0.422	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	3.5	178.8	65.2	-46.1	0	0	0	112.6	P261	P261-D263 PolarHBondContact O-N 3.31Å
264	R	89.4	Confident	94	Very high	99 Å²	99	44.1 Å²	44.1	37%	0.374	23%	0.233	S	C	.	.			trans	-122.6	118.5	-174.5	-55.3	-61.8	166.3	157.5	0.5	109.5	H260 P261 L320	H260-R264 HydrophobicContact CB-CB 4.14Å; H260-R264 VanDerWaalsContact CB-O 3.27Å; H260-R264 WeakPolarHBondContact CB-O 3.32Å; P261-R264 HydrophobicContact CB-CB 4.5Å; P261-R264 HydrophobicContact CB-CG 4.05Å; P261-R264 HydrophobicContact CG-CG 4.31Å; P261-R264 WeakPolarHBondContact O-CA 3.49Å; P261-R264 WeakPolarHBondContact O-CB 3.38Å; P261-R264 PolarHBondContact O-N 2.65Å; R264-L320 HydrophobicContact CB-CB 4.48Å; R264-L320 HydrophobicContact CB-CD2 4.22Å
265	Y	89.9	Confident	94	Very high	165 Å²	165	47.4 Å²	47.4	65%	0.647	25%	0.247	S	C	*	.			trans	-114.1	131.2	-179.5	-59.1	-87.3	0	0	0	109	F262	F262-Y265 PolarHBondContact O-OH 2.93Å
266	S	92.7	Very high	94	Very high	26 Å²	26	47.4 Å²	47.4	18%	0.182	25%	0.247	C	C	.	.			trans	-78.9	138.4	170.6	-171.3	0	0	0	0	110.1	F268 H316 E317	S266-F268 WeakPolarHBondContact CB-O 3.28Å; S266-F268 PolarHBondContact O-N 2.87Å; S266-F268 PolarHBondContact OG-N 2.91Å; S266-F268 VanDerWaalsContact OG-N 3.16Å; S266-F268 PolarHBondContact OG-O 2.91Å; S266-H316 PolarHBondContact OG-NE2 3.37Å; S266-E317 VanDerWaalsContact CB-OE1 3.26Å; S266-E317 WeakPolarHBondContact CB-OE1 3.32Å; S266-E317 PolarHBondContact OG-OE1 3.13Å
267	S	92.8	Very high	94	Very high	100 Å²	100	47.9 Å²	47.9	70%	0.699	25%	0.249	S	C	*	.	S	Bend	trans	-63.6	-15.6	167.2	-50.4	0	0	0	0	112.5	H316	S267-H316 PolarHBondContact N-NE2 2.62Å; S267-H316 PolarHBondContact OG-CE1 3.44Å
268	F	94.2	Very high	94	Very high	49 Å²	49	49.7 Å²	49.7	22%	0.215	26%	0.258	C	S	.	.	S	Bend	trans	-106.4	131.4	178.3	-49.7	-65.7	0	0	0	110	P252 I254 S266 V313 H316	P252-F268 HydrophobicContact CB-CD1 3.85Å; P252-F268 HydrophobicContact CB-CE1 4.32Å; P252-F268 HydrophobicContact CB-CG 4.49Å; P252-F268 HydrophobicContact CG-CD1 3.87Å; P252-F268 HydrophobicContact CG-CE1 3.91Å; I254-F268 HydrophobicContact CD1-CB 3.62Å; I254-F268 HydrophobicContact CD1-CD2 3.86Å; I254-F268 HydrophobicContact CD1-CG 4.04Å; I254-F268 HydrophobicContact CG1-CB 3.96Å; S266-F268 WeakPolarHBondContact CB-O 3.28Å; S266-F268 PolarHBondContact O-N 2.87Å; S266-F268 PolarHBondContact OG-N 2.91Å; S266-F268 VanDerWaalsContact OG-N 3.16Å; S266-F268 PolarHBondContact OG-O 2.91Å; F268-V313 HydrophobicContact CD2-CG1 4.01Å; F268-V313 HydrophobicContact CE1-CG2 4.48Å; F268-V313 HydrophobicContact CE2-CB 4.32Å; F268-V313 HydrophobicContact CE2-CG1 4.05Å; F268-V313 HydrophobicContact CE2-CG2 3.99Å; F268-V313 HydrophobicContact CZ-CG2 3.94Å; F268-H316 AromaticContact CD2-CD2 3.51Å; F268-H316 AromaticContact CD2-NE2 3.9Å; F268-H316 HydrophobicContact CE2-CB 4.14Å; F268-H316 AromaticContact CE2-CD2 3.45Å; F268-H316 VanDerWaalsContact CE2-CD2 3.45Å; F268-H316 WeakPolarHBondContact CE2-CD2 3.26Å; F268-H316 AromaticContact CE2-CG 3.81Å
269	E	94.4	Very high	94	Very high	84 Å²	84	49.7 Å²	49.7	39%	0.393	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	146.5	169.8	-166.3	-179.2	-177.8	0	0	109.3	F253 I254 R298	F253-E269 WeakPolarHBondContact CA-O 3.48Å; F253-E269 HydrophobicContact CD2-CB 3.88Å; F253-E269 HydrophobicContact CD2-CG 3.83Å; F253-E269 HydrophobicContact CE2-CB 4.22Å; F253-E269 HydrophobicContact CE2-CG 3.66Å; I254-E269 PolarHBondContact N-O 2.88Å; E269-R298 IonicContact OE1-CZ 2.66Å; E269-R298 IonicContact OE1-NE 2.77Å; E269-R298 PolarHBondContact OE1-NE 3.03Å; E269-R298 IonicContact OE1-NH2 3.84Å; E269-R298 PolarHBondContact OE1-NH2 3.49Å; E269-R298 IonicContact OE2-CZ 3.55Å; E269-R298 IonicContact OE2-NE 3.14Å; E269-R298 PolarHBondContact OE2-NE 2.73Å; E269-R298 VanDerWaalsContact OE2-NE 3.16Å; E269-R298 IonicContact OE2-NH2 3.35Å
270	G	95.5	Very high	94.1	Very high	22 Å²	22	48.1 Å²	48.1	23%	0.227	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	165.9	179.5	0	0	0	0	0	113.4	I254	I254-G270 CarbonylContact O-C 3.4Å; I254-G270 WeakPolarHBondContact O-CA 3.45Å
271	T	95.8	Very high	94.2	Very high	39 Å²	39	48.7 Å²	48.7	24%	0.239	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	157.4	-172.3	-173.4	0	0	0	0	112.5	F253 I254 F255 R256 G273 F274	F253-T271 HydrophobicContact CE1-CG2 3.72Å; F253-T271 HydrophobicContact CZ-CG2 3.65Å; I254-T271 PolarHBondContact O-N 3.22Å; F255-T271 HydrophobicContact CD1-CG2 4.02Å; F255-T271 HydrophobicContact CE1-CG2 4.39Å; R256-T271 PolarHBondContact N-O 2.88Å; T271-G273 PolarHBondContact OG1-N 3.47Å; T271-G273 VanDerWaalsContact OG1-N 3.13Å; T271-F274 HydrophobicContact CG2-CD2 3.49Å; T271-F274 VanDerWaalsContact CG2-CD2 3.49Å; T271-F274 HydrophobicContact CG2-CE2 3.74Å
272	C	96.2	Very high	94.6	Very high	6 Å²	6	47.1 Å²	47.1	4%	0.041	24%	0.242	C	C	.	.	S	Bend	trans	-104	-1.9	171.5	-52.6	0	0	0	0	113.2	L105 L227 R256 Y258 F274	L105-C272 HydrophobicContact CD2-CB 3.95Å; L227-C272 HydrophobicContact CD2-CB 3.76Å; L227-C272 HydrophobicContact CG-CB 4.14Å; R256-C272 WeakPolarHBondContact O-CA 3.5Å; R256-C272 WeakPolarHBondContact O-CB 3.41Å; R256-C272 PolarHBondContact O-SG 3.31Å; R256-C272 VanDerWaalsContact O-SG 3.36Å; Y258-C272 PolarHBondContact O-SG 2.9Å; C272-F274 VanDerWaalsContact C-N 3.35Å; C272-F274 PolarHBondContact O-N 3.47Å
273	G	95.6	Very high	95.1	Very high	40 Å²	40	42.9 Å²	42.9	41%	0.412	22%	0.223	S	C	.	.			trans	-85.2	7.2	-162.5	0	0	0	0	0	116.8	T271	T271-G273 PolarHBondContact OG1-N 3.47Å; T271-G273 VanDerWaalsContact OG1-N 3.13Å
274	F	97.5	Very high	95.3	Very high	40 Å²	40	39.5 Å²	39.5	18%	0.175	21%	0.206	C	C	.	.	S	Bend	trans	-115.9	166.4	-175.4	-70.5	-72.3	0	0	0	112.6	F226 F255 T271 C272 E278 L295	F226-F274 WeakPolarHBondContact CD2-O 3.41Å; F226-F274 PolarHBondContact N-O 2.89Å; F226-F274 VanDerWaalsContact N-O 3.11Å; F255-F274 HydrophobicContact CD1-CB 4.21Å; F255-F274 AromaticContact CD1-CD2 3.77Å; F255-F274 HydrophobicContact CD1-CD2 3.77Å; F255-F274 HydrophobicContact CD1-CG 4.33Å; F255-F274 HydrophobicContact CE1-CB 4.38Å; F255-F274 AromaticContact CE1-CD2 3.51Å; F255-F274 HydrophobicContact CE1-CD2 3.51Å; F255-F274 HydrophobicContact CE1-CE2 4.03Å; F255-F274 HydrophobicContact CE1-CG 4.1Å; T271-F274 HydrophobicContact CG2-CD2 3.49Å; T271-F274 VanDerWaalsContact CG2-CD2 3.49Å; T271-F274 HydrophobicContact CG2-CE2 3.74Å; C272-F274 VanDerWaalsContact C-N 3.35Å; C272-F274 PolarHBondContact O-N 3.47Å; F274-E278 HydrophobicContact CB-CB 4.43Å; F274-L295 HydrophobicContact CD1-CD1 4.37Å; F274-L295 HydrophobicContact CD1-CD2 4.32Å; F274-L295 HydrophobicContact CE1-CB 3.81Å; F274-L295 HydrophobicContact CE1-CD1 4.43Å; F274-L295 HydrophobicContact CE1-CD2 4.1Å; F274-L295 HydrophobicContact CE1-CG 4.32Å; F274-L295 HydrophobicContact CE2-CB 4.33Å; F274-L295 HydrophobicContact CZ-CB 3.69Å
275	K	98.4	Very high	95.3	Very high	68 Å²	68	35 Å²	35	30%	0.296	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-78.4	155.5	170.2	-62.3	171.2	-179.9	167.6	0	111.1	E223 K224 W277 E278 A279	E223-K275 HydrophobicContact CB-CD 4.44Å; E223-K275 WeakPolarHBondContact OE2-CD 3.3Å; E223-K275 VanDerWaalsContact OE2-CE 3.24Å; E223-K275 WeakPolarHBondContact OE2-CE 3.4Å; E223-K275 IonicContact OE2-NZ 3.32Å; E223-K275 PolarHBondContact OE2-NZ 3.33Å; K224-K275 WeakPolarHBondContact O-CA 3.47Å; K275-W277 VanDerWaalsContact C-N 3.27Å; K275-W277 HydrophobicContact CB-CG 4.46Å; K275-W277 PolarHBondContact O-N 3.46Å; K275-E278 HydrophobicContact CB-CB 4.49Å; K275-E278 HydrophobicContact CB-CG 4.1Å; K275-E278 VanDerWaalsContact CB-OE2 3.3Å; K275-E278 WeakPolarHBondContact CB-OE2 3.35Å; K275-E278 WeakPolarHBondContact CG-OE2 3.28Å; K275-E278 PolarHBondContact N-OE2 3.19Å; K275-E278 PolarHBondContact O-N 2.72Å; K275-A279 PolarHBondContact O-N 3.41Å; K275-A279 VanDerWaalsContact O-N 3.17Å
276	L	98.5	Very high	95.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.8	-42.1	178.4	-64.5	178.7	0	0	0	111.2	A166 L171 M221 K224 F226 T229 M240 A279 A280	A166-L276 HydrophobicContact CB-CB 4.43Å; L171-L276 HydrophobicContact CD2-CD1 3.91Å; L171-L276 HydrophobicContact CG-CD1 4.42Å; M221-L276 HydrophobicContact CB-CB 4.38Å; M221-L276 HydrophobicContact SD-CB 4.04Å; K224-L276 HydrophobicContact CB-CD1 4.4Å; K224-L276 HydrophobicContact CD-CD1 4.39Å; K224-L276 HydrophobicContact CG-CD1 4.45Å; K224-L276 PolarHBondContact O-N 3.37Å; F226-L276 HydrophobicContact CD1-CD2 3.96Å; F226-L276 HydrophobicContact CD2-CD2 4.01Å; F226-L276 HydrophobicContact CE1-CD2 4.06Å; F226-L276 HydrophobicContact CE2-CD2 4.05Å; F226-L276 HydrophobicContact CG-CD2 4Å; F226-L276 HydrophobicContact CZ-CD2 4.14Å; T229-L276 HydrophobicContact CG2-CD1 3.97Å; T229-L276 HydrophobicContact CG2-CD2 4.22Å; T229-L276 HydrophobicContact CG2-CG 4.45Å; M240-L276 HydrophobicContact CE-CB 4.36Å; M240-L276 HydrophobicContact CE-CD2 3.89Å; M240-L276 WeakPolarHBondContact CE-O 3.47Å; L276-A279 PolarHBondContact O-N 3.12Å; L276-A280 WeakPolarHBondContact O-CB 3.18Å; L276-A280 PolarHBondContact O-N 2.91Å
277	W	97.5	Very high	94.5	Very high	26 Å²	26	28.2 Å²	28.2	10%	0.098	17%	0.167	C	C	.	.	H	α-helix	trans	-68.2	-35.8	-179.4	75.2	-100.5	0	0	0	113	I214 L217 R218 M221 E223 K275 A280 Q281	I214-W277 HydrophobicContact CB-CZ3 4.49Å; I214-W277 HydrophobicContact CG1-CZ3 4.33Å; I214-W277 HydrophobicContact CG2-CE3 4.08Å; I214-W277 HydrophobicContact CG2-CH2 4.11Å; I214-W277 HydrophobicContact CG2-CZ3 3.56Å; L217-W277 HydrophobicContact CB-CB 3.98Å; R218-W277 HydrophobicContact CG-CB 4.31Å; R218-W277 HydrophobicContact CG-CD2 3.39Å; R218-W277 HydrophobicContact CG-CE3 3.83Å; R218-W277 HydrophobicContact CG-CG 3.63Å; R218-W277 HydrophobicContact CG-CH2 4.5Å; R218-W277 HydrophobicContact CG-CZ2 4.09Å; R218-W277 HydrophobicContact CG-CZ3 4.38Å; M221-W277 HydrophobicContact CB-CB 4.23Å; M221-W277 HydrophobicContact SD-CB 4.15Å; E223-W277 PolarHBondContact OE2-NE1 2.99Å; K275-W277 VanDerWaalsContact C-N 3.27Å; K275-W277 HydrophobicContact CB-CG 4.46Å; K275-W277 PolarHBondContact O-N 3.46Å; W277-A280 PolarHBondContact O-N 3.43Å; W277-Q281 WeakPolarHBondContact O-CB 3.45Å; W277-Q281 PolarHBondContact O-N 3.15Å
278	E	97.9	Very high	93.5	Very high	39 Å²	39	24.4 Å²	24.4	18%	0.182	14%	0.143	C	C	.	.	H	α-helix	trans	-64.3	-45.8	177.1	-67.7	172.2	134.7	0	0	110.2	F274 K275 Q281 A282 L295	F274-E278 HydrophobicContact CB-CB 4.43Å; K275-E278 HydrophobicContact CB-CB 4.49Å; K275-E278 HydrophobicContact CB-CG 4.1Å; K275-E278 VanDerWaalsContact CB-OE2 3.3Å; K275-E278 WeakPolarHBondContact CB-OE2 3.35Å; K275-E278 WeakPolarHBondContact CG-OE2 3.28Å; K275-E278 PolarHBondContact N-OE2 3.19Å; K275-E278 PolarHBondContact O-N 2.72Å; E278-Q281 PolarHBondContact O-N 3.29Å; E278-A282 WeakPolarHBondContact O-CB 3.33Å; E278-A282 PolarHBondContact O-N 3.24Å; E278-L295 HydrophobicContact CB-CD1 4.19Å; E278-L295 HydrophobicContact CB-CD2 4.19Å; E278-L295 HydrophobicContact CG-CD2 4.49Å
279	A	98.2	Very high	92.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-68.4	-37.1	177	0	0	0	0	0	113.2	F226 M240 F255 K275 L276 Q281 A282 S283	F226-A279 HydrophobicContact CE2-CB 3.49Å; F226-A279 VanDerWaalsContact CE2-CB 3.49Å; F226-A279 HydrophobicContact CZ-CB 3.98Å; M240-A279 HydrophobicContact CE-CB 3.68Å; M240-A279 HydrophobicContact SD-CB 4.48Å; F255-A279 HydrophobicContact CB-CB 3.55Å; F255-A279 HydrophobicContact CD1-CB 3.7Å; F255-A279 HydrophobicContact CD2-CB 3.66Å; F255-A279 HydrophobicContact CE1-CB 4.27Å; F255-A279 HydrophobicContact CE2-CB 4.22Å; F255-A279 HydrophobicContact CG-CB 3.36Å; K275-A279 PolarHBondContact O-N 3.41Å; K275-A279 VanDerWaalsContact O-N 3.17Å; L276-A279 PolarHBondContact O-N 3.12Å; A279-Q281 VanDerWaalsContact C-N 3.35Å; A279-A282 PolarHBondContact O-N 3.02Å; A279-S283 WeakPolarHBondContact O-CB 3.23Å; A279-S283 PolarHBondContact O-N 2.89Å
280	A	96.9	Very high	91.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.9	-41.4	173.8	0	0	0	0	0	111.4	V163 L217 M221 M240 L276 W277 S283 A284	V163-A280 HydrophobicContact CG2-CB 4.27Å; L217-A280 HydrophobicContact CD1-CB 4.21Å; L217-A280 HydrophobicContact CD2-CB 3.92Å; M221-A280 HydrophobicContact CE-CB 3.78Å; M221-A280 HydrophobicContact SD-CB 4Å; M240-A280 HydrophobicContact SD-CB 4.38Å; L276-A280 WeakPolarHBondContact O-CB 3.18Å; L276-A280 PolarHBondContact O-N 2.91Å; W277-A280 PolarHBondContact O-N 3.43Å; A280-S283 PolarHBondContact O-N 3.18Å; A280-A284 WeakPolarHBondContact O-CB 3.39Å; A280-A284 PolarHBondContact O-N 3.27Å; A280-A284 VanDerWaalsContact O-N 3.1Å
281	Q	95.7	Very high	91.2	Very high	19 Å²	19	24.3 Å²	24.3	9%	0.089	14%	0.135	C	C	.	.	H	α-helix	trans	-63	-48	173.8	-178.7	-124.1	-18.3	0	0	111.2	I214 L217 W277 E278 A279 S283 A284 A285 C293	I214-Q281 HydrophobicContact CG1-CG 3.97Å; L217-Q281 HydrophobicContact CD1-CB 3.73Å; W277-Q281 WeakPolarHBondContact O-CB 3.45Å; W277-Q281 PolarHBondContact O-N 3.15Å; E278-Q281 PolarHBondContact O-N 3.29Å; A279-Q281 VanDerWaalsContact C-N 3.35Å; Q281-S283 VanDerWaalsContact C-N 3.34Å; Q281-S283 PolarHBondContact O-N 2.83Å; Q281-A284 CarbonylContact O-C 3.55Å; Q281-A284 PolarHBondContact O-N 3.32Å; Q281-A285 PolarHBondContact O-N 3.2Å; Q281-A285 VanDerWaalsContact O-N 3.12Å; Q281-C293 PolarHBondContact NE2-SG 2.84Å; Q281-C293 VanDerWaalsContact NE2-SG 3.42Å; Q281-C293 PolarHBondContact OE1-SG 3.19Å
282	A	96.5	Very high	90.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.7	-42.6	176.9	0	0	0	0	0	112.6	F255 E278 A279 A284 C293 L295 H300 Q301	F255-A282 HydrophobicContact CE2-CB 3.66Å; F255-A282 HydrophobicContact CZ-CB 3.68Å; E278-A282 WeakPolarHBondContact O-CB 3.33Å; E278-A282 PolarHBondContact O-N 3.24Å; A279-A282 PolarHBondContact O-N 3.02Å; A282-A284 VanDerWaalsContact C-N 3.31Å; A282-A284 PolarHBondContact O-N 2.87Å; A282-C293 HydrophobicContact CB-CB 4.24Å; A282-L295 HydrophobicContact CB-CD1 3.81Å; A282-H300 HydrophobicContact CB-CB 3.72Å; A282-Q301 CarbonylContact O-C 3.42Å
283	S	96.5	Very high	90.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-68.9	-26.2	-179.8	-175.8	0	0	0	0	113.5	S159 A162 V241 A279 A280 Q281 D302 G303	S159-S283 VanDerWaalsContact CA-O 3.29Å; S159-S283 WeakPolarHBondContact CA-O 3.4Å; S159-S283 PolarHBondContact N-O 2.83Å; S159-S283 PolarHBondContact N-OG 2.7Å; A162-S283 WeakPolarHBondContact CB-OG 3.36Å; V241-S283 WeakPolarHBondContact O-CB 3.33Å; V241-S283 PolarHBondContact O-OG 3.46Å; A279-S283 WeakPolarHBondContact O-CB 3.23Å; A279-S283 PolarHBondContact O-N 2.89Å; A280-S283 PolarHBondContact O-N 3.18Å; Q281-S283 VanDerWaalsContact C-N 3.34Å; Q281-S283 PolarHBondContact O-N 2.83Å; S283-D302 VanDerWaalsContact O-CA 3.25Å; S283-D302 WeakPolarHBondContact O-CA 3.44Å; S283-D302 VanDerWaalsContact O-CG 3.25Å; S283-G303 PolarHBondContact O-N 3Å
284	A	92.3	Very high	90.3	Very high	8 Å²	8	30.7 Å²	30.7	7%	0.066	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	16.4	-178.1	0	0	0	0	0	113.6	W213 A280 Q281 A282 A286 F290	W213-A284 HydrophobicContact CZ2-CB 4.45Å; A280-A284 WeakPolarHBondContact O-CB 3.39Å; A280-A284 PolarHBondContact O-N 3.27Å; A280-A284 VanDerWaalsContact O-N 3.1Å; Q281-A284 CarbonylContact O-C 3.55Å; Q281-A284 PolarHBondContact O-N 3.32Å; A282-A284 VanDerWaalsContact C-N 3.31Å; A282-A284 PolarHBondContact O-N 2.87Å; A284-A286 PolarHBondContact O-N 2.86Å; A284-F290 VanDerWaalsContact O-CD2 3.27Å; A284-F290 WeakPolarHBondContact O-CD2 3.3Å
285	A	89.2	Confident	90.1	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.033	15%	0.154	C	C	.	.			trans	-77.3	61.7	179.1	0	0	0	0	0	111.7	Q281 C293 D302	Q281-A285 PolarHBondContact O-N 3.2Å; Q281-A285 VanDerWaalsContact O-N 3.12Å; A285-C293 HydrophobicContact CB-CB 4.13Å; A285-D302 PolarHBondContact O-N 3.1Å
286	A	84	Confident	89.6	Confident	8 Å²	8	29.6 Å²	29.6	7%	0.066	17%	0.173	C	C	.	.			trans	-70	128.1	-173.5	0	0	0	0	0	111.3	A284 G288 Y289 F290 D302	A284-A286 PolarHBondContact O-N 2.86Å; A286-G288 PolarHBondContact O-N 3.16Å; A286-Y289 HydrophobicContact CB-CD2 4.04Å; A286-Y289 PolarHBondContact O-N 2.86Å; A286-Y289 VanDerWaalsContact O-N 3.07Å; A286-F290 PolarHBondContact O-N 3.03Å; A286-D302 HydrophobicContact CB-CB 3.89Å
287	P	80.5	Confident	89.2	Confident	41 Å²	41	35.8 Å²	35.8	27%	0.266	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	135.6	178.9	-26.7	34.9	0	0	0	112.9	Y289 M305	P287-Y289 PolarHBondContact O-N 3.24Å; P287-M305 HydrophobicContact CG-SD 4.36Å
288	G	73.3	Confident	89	Confident	19 Å²	19	37.9 Å²	37.9	20%	0.196	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-29.4	-175.8	0	0	0	0	0	114.2	L201 Y207 A286	L201-G288 WeakPolarHBondContact CD1-O 3.48Å; Y207-G288 WeakPolarHBondContact CB-O 3.25Å; Y207-G288 PolarHBondContact N-O 2.82Å; A286-G288 PolarHBondContact O-N 3.16Å
289	Y	73.8	Confident	88.7	Confident	28 Å²	28	38.7 Å²	38.7	11%	0.11	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-49.8	175.9	-69.6	-76.8	0	0	0	112	Y207 Y208 A286 P287 M396 D397	Y207-Y289 PolarHBondContact N-O 3.46Å; Y208-Y289 AromaticContact CD2-CD1 3.93Å; Y208-Y289 HydrophobicContact CD2-CD1 3.93Å; Y208-Y289 AromaticContact CE2-CD1 3.51Å; Y208-Y289 HydrophobicContact CE2-CD1 3.51Å; Y208-Y289 HydrophobicContact CE2-CE1 4.13Å; Y208-Y289 PolarHBondContact N-O 3.2Å; A286-Y289 HydrophobicContact CB-CD2 4.04Å; A286-Y289 PolarHBondContact O-N 2.86Å; A286-Y289 VanDerWaalsContact O-N 3.07Å; P287-Y289 PolarHBondContact O-N 3.24Å; Y289-M396 HydrophobicContact CE2-CE 3.87Å; Y289-D397 HydrophobicContact CD1-CB 4.48Å; Y289-D397 HydrophobicContact CE1-CB 3.89Å
290	F	79.4	Confident	88.6	Confident	30 Å²	30	38.8 Å²	38.8	13%	0.132	22%	0.222	C	C	.	.	S	Bend	trans	-128.8	158	-177.2	-61.6	-74.6	0	0	0	111.6	L189 Y208 W213 A284 A286	L189-F290 HydrophobicContact CD1-CZ 4.47Å; Y208-F290 HydrophobicContact CD2-CE1 4.33Å; Y208-F290 HydrophobicContact CD2-CE2 4.49Å; Y208-F290 HydrophobicContact CD2-CZ 4.07Å; Y208-F290 HydrophobicContact CG-CE1 4.27Å; Y208-F290 HydrophobicContact CG-CZ 4.4Å; W213-F290 HydrophobicContact CB-CD1 4.41Å; W213-F290 HydrophobicContact CB-CE1 3.84Å; W213-F290 AromaticContact CD1-CE1 3.94Å; W213-F290 HydrophobicContact CG-CD1 4.48Å; W213-F290 AromaticContact CG-CE1 3.92Å; W213-F290 HydrophobicContact CG-CE1 3.92Å; W213-F290 HydrophobicContact CG-CZ 4.28Å; A284-F290 VanDerWaalsContact O-CD2 3.27Å; A284-F290 WeakPolarHBondContact O-CD2 3.3Å; A286-F290 PolarHBondContact O-N 3.03Å
291	Q	82.1	Confident	88.4	Confident	95 Å²	95	40 Å²	40	44%	0.444	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-70.1	152.1	171.8	-64.9	-173.8	-15.8	0	0	110.7	S204 S206 T210	S204-Q291 PolarHBondContact O-NE2 3.36Å; S206-Q291 WeakPolarHBondContact OG-CG 3.3Å; T210-Q291 PolarHBondContact OG1-N 3.4Å
292	Q	84.4	Confident	88.3	Confident	119 Å²	119	39.6 Å²	39.6	56%	0.556	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-58.6	140.7	173.9	-61.5	178.8	-1.6	0	0	110.1	V299 Q301	Q292-V299 HydrophobicContact CB-CG1 3.79Å; Q292-V299 HydrophobicContact CG-CG1 4.4Å; Q292-V299 VanDerWaalsContact OE1-CG1 3.23Å; Q292-Q301 HydrophobicContact CG-CG 4.22Å
293	C	90.4	Very high	88	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.007	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	117.6	-177	172.2	0	0	0	0	109.6	Q281 A282 A285 L295 H300	Q281-C293 PolarHBondContact NE2-SG 2.84Å; Q281-C293 VanDerWaalsContact NE2-SG 3.42Å; Q281-C293 PolarHBondContact OE1-SG 3.19Å; A282-C293 HydrophobicContact CB-CB 4.24Å; A285-C293 HydrophobicContact CB-CB 4.13Å; C293-L295 VanDerWaalsContact SG-CG 3.59Å; C293-H300 HydrophobicContact CB-CB 4.18Å; C293-H300 PolarHBondContact N-O 3.04Å; C293-H300 WeakPolarHBondContact O-CA 3.33Å; C293-H300 WeakPolarHBondContact O-CB 3.43Å; C293-H300 PolarHBondContact O-N 2.78Å
294	V	92.7	Very high	87.7	Confident	99 Å²	99	39.6 Å²	39.6	60%	0.6	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.3	176	-174.3	0	0	0	0	109.1	R298 V299	V294-R298 WeakPolarHBondContact CA-O 3.28Å; V294-V299 HydrophobicContact CG2-CG2 4.28Å
295	L	93.5	Very high	87.4	Confident	16 Å²	16	41.1 Å²	41.1	8%	0.084	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	118	175.5	-67.2	178	0	0	0	109.4	F255 F274 E278 A282 C293 D297 R298	F255-L295 HydrophobicContact CE1-CD1 3.85Å; F255-L295 HydrophobicContact CZ-CD1 3.74Å; F274-L295 HydrophobicContact CD1-CD1 4.37Å; F274-L295 HydrophobicContact CD1-CD2 4.32Å; F274-L295 HydrophobicContact CE1-CB 3.81Å; F274-L295 HydrophobicContact CE1-CD1 4.43Å; F274-L295 HydrophobicContact CE1-CD2 4.1Å; F274-L295 HydrophobicContact CE1-CG 4.32Å; F274-L295 HydrophobicContact CE2-CB 4.33Å; F274-L295 HydrophobicContact CZ-CB 3.69Å; E278-L295 HydrophobicContact CB-CD1 4.19Å; E278-L295 HydrophobicContact CB-CD2 4.19Å; E278-L295 HydrophobicContact CG-CD2 4.49Å; A282-L295 HydrophobicContact CB-CD1 3.81Å; C293-L295 VanDerWaalsContact SG-CG 3.59Å; L295-D297 PolarHBondContact O-N 3.42Å; L295-R298 PolarHBondContact N-O 2.89Å; L295-R298 PolarHBondContact O-N 2.84Å; L295-R298 VanDerWaalsContact O-N 3.16Å
296	G	88.9	Confident	87.4	Confident	69 Å²	69	44.1 Å²	44.1	71%	0.711	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	-123.7	-172.9	0	0	0	0	0	111.6
297	D	89.3	Confident	87.7	Confident	130 Å²	130	44.7 Å²	44.7	70%	0.695	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	14.2	177.8	68.9	-25.7	0	0	0	112.8	L295	L295-D297 PolarHBondContact O-N 3.42Å
298	R	92.7	Very high	88.3	Confident	70 Å²	70	43.1 Å²	43.1	26%	0.264	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.7	-178	-63.9	-72.4	-177.9	-78.8	-11.9	111	V244 E269 V294 L295 H300	V244-R298 HydrophobicContact CG1-CB 4.13Å; E269-R298 IonicContact OE1-CZ 2.66Å; E269-R298 IonicContact OE1-NE 2.77Å; E269-R298 PolarHBondContact OE1-NE 3.03Å; E269-R298 IonicContact OE1-NH2 3.84Å; E269-R298 PolarHBondContact OE1-NH2 3.49Å; E269-R298 IonicContact OE2-CZ 3.55Å; E269-R298 IonicContact OE2-NE 3.14Å; E269-R298 PolarHBondContact OE2-NE 2.73Å; E269-R298 VanDerWaalsContact OE2-NE 3.16Å; E269-R298 IonicContact OE2-NH2 3.35Å; V294-R298 WeakPolarHBondContact CA-O 3.28Å; L295-R298 PolarHBondContact N-O 2.89Å; L295-R298 PolarHBondContact O-N 2.84Å; L295-R298 VanDerWaalsContact O-N 3.16Å; R298-H300 WeakPolarHBondContact CB-NE2 3.45Å
299	V	93.2	Very high	89.4	Confident	57 Å²	57	42.3 Å²	42.3	35%	0.345	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	113.4	170.5	-174.9	0	0	0	0	107.6	Q292 V294	Q292-V299 HydrophobicContact CB-CG1 3.79Å; Q292-V299 HydrophobicContact CG-CG1 4.4Å; Q292-V299 VanDerWaalsContact OE1-CG1 3.23Å; V294-V299 HydrophobicContact CG2-CG2 4.28Å
300	H	95.2	Very high	90.6	Very high	1 Å²	1	41 Å²	41	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	142.8	-177.9	-64.7	-97.3	0	0	0	111.5	S242 C243 V244 F253 F255 A282 C293 R298	S242-H300 PolarHBondContact OG-ND1 3.18Å; C243-H300 WeakPolarHBondContact O-CA 3.17Å; V244-H300 WeakPolarHBondContact CG1-CE1 3.38Å; V244-H300 VanDerWaalsContact CG1-ND1 3.32Å; V244-H300 WeakPolarHBondContact CG1-ND1 3.37Å; F253-H300 AromaticContact CD1-CE1 3.49Å; F253-H300 VanDerWaalsContact CD1-CE1 3.49Å; F253-H300 WeakPolarHBondContact CD1-CE1 3.44Å; F253-H300 AromaticContact CE1-CE1 3.74Å; F253-H300 AromaticContact CG-CE1 3.72Å; F255-H300 AromaticContact CE2-CE1 3.97Å; F255-H300 AromaticContact CE2-ND1 3.84Å; F255-H300 AromaticContact CZ-CE1 3.38Å; F255-H300 WeakPolarHBondContact CZ-CE1 3.38Å; F255-H300 AromaticContact CZ-ND1 3.59Å; F255-H300 AromaticContact CZ-NE2 3.89Å; A282-H300 HydrophobicContact CB-CB 3.72Å; C293-H300 HydrophobicContact CB-CB 4.18Å; C293-H300 PolarHBondContact N-O 3.04Å; C293-H300 WeakPolarHBondContact O-CA 3.33Å; C293-H300 WeakPolarHBondContact O-CB 3.43Å; C293-H300 PolarHBondContact O-N 2.78Å; R298-H300 WeakPolarHBondContact CB-NE2 3.45Å
301	Q	92.8	Very high	91.5	Very high	26 Å²	26	39.6 Å²	39.6	12%	0.121	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	167.9	170.6	-60.4	179.4	16.2	0	0	109.4	C243 A282 Q292 G303	C243-Q301 PolarHBondContact N-O 3.32Å; C243-Q301 PolarHBondContact O-N 3.16Å; A282-Q301 CarbonylContact O-C 3.42Å; Q292-Q301 HydrophobicContact CG-CG 4.22Å; Q301-G303 PolarHBondContact O-N 2.87Å
302	D	92.8	Very high	92.2	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.053	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	125.7	179.1	-169.2	-42.6	0	0	0	111.8	S159 C243 S283 A285 A286 G304 M305	S159-D302 VanDerWaalsContact CB-OD1 3.28Å; S159-D302 WeakPolarHBondContact CB-OD1 3.36Å; S159-D302 VanDerWaalsContact CB-OD2 3.26Å; S159-D302 WeakPolarHBondContact CB-OD2 3.4Å; S159-D302 PolarHBondContact OG-OD2 3.13Å; C243-D302 PolarHBondContact SG-O 3.47Å; S283-D302 VanDerWaalsContact O-CA 3.25Å; S283-D302 WeakPolarHBondContact O-CA 3.44Å; S283-D302 VanDerWaalsContact O-CG 3.25Å; A285-D302 PolarHBondContact O-N 3.1Å; A286-D302 HydrophobicContact CB-CB 3.89Å; D302-G304 PolarHBondContact O-N 2.83Å; D302-G304 WeakPolarHBondContact OD1-CA 3.29Å; D302-G304 PolarHBondContact OD1-N 2.97Å; D302-M305 VanDerWaalsContact O-CG 3.3Å; D302-M305 WeakPolarHBondContact O-CG 3.37Å; D302-M305 PolarHBondContact O-N 2.92Å
303	G	91.3	Very high	92.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.3	-178.6	0	0	0	0	0	113.3	S283 Q301 M305 I306 T307	S283-G303 PolarHBondContact O-N 3Å; Q301-G303 PolarHBondContact O-N 2.87Å; G303-M305 PolarHBondContact O-N 2.92Å; G303-I306 PolarHBondContact O-N 3.43Å; G303-T307 CarbonylContact O-C 3.56Å; G303-T307 WeakPolarHBondContact O-CA 3.08Å; G303-T307 PolarHBondContact O-N 3.36Å
304	G	89.2	Confident	93.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-63.7	-16.3	177.3	0	0	0	0	0	113.6	D302 I306	D302-G304 PolarHBondContact O-N 2.83Å; D302-G304 WeakPolarHBondContact OD1-CA 3.29Å; D302-G304 PolarHBondContact OD1-N 2.97Å; G304-I306 PolarHBondContact O-N 3.15Å
305	M	86.3	Confident	93.4	Very high	39 Å²	39	28.2 Å²	28.2	19%	0.192	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-27.3	175	-64.3	-59.1	-62	0	0	113.4	L250 P287 D302 G303 V361 A364	L250-M305 HydrophobicContact CD1-CB 4.41Å; P287-M305 HydrophobicContact CG-SD 4.36Å; D302-M305 VanDerWaalsContact O-CG 3.3Å; D302-M305 WeakPolarHBondContact O-CG 3.37Å; D302-M305 PolarHBondContact O-N 2.92Å; G303-M305 PolarHBondContact O-N 2.92Å; M305-V361 HydrophobicContact SD-CG1 4.37Å; M305-V361 HydrophobicContact SD-CG2 4.27Å; M305-A364 HydrophobicContact CE-CB 4.13Å; M305-A364 HydrophobicContact SD-CB 4.34Å
306	I	89.3	Confident	93.7	Very high	68 Å²	68	29.7 Å²	29.7	35%	0.349	18%	0.175	S	C	.	.	H	α-helix	trans	-135.4	-15.4	-176.9	58.3	169.9	0	0	0	113.5	C243 L250 P252 G303 G304	C243-I306 HydrophobicContact CB-CD1 3.48Å; C243-I306 VanDerWaalsContact CB-CD1 3.48Å; C243-I306 HydrophobicContact CB-CG1 3.81Å; L250-I306 HydrophobicContact CB-CD1 4.2Å; L250-I306 HydrophobicContact CB-CG2 3.87Å; L250-I306 HydrophobicContact CD1-CG2 4.46Å; L250-I306 WeakPolarHBondContact O-CD1 3.41Å; P252-I306 HydrophobicContact CB-CD1 4.43Å; P252-I306 HydrophobicContact CG-CD1 3.76Å; G303-I306 PolarHBondContact O-N 3.43Å; G304-I306 PolarHBondContact O-N 3.15Å
307	T	90.9	Very high	94.1	Very high	19 Å²	19	26.4 Å²	26.4	12%	0.117	14%	0.141	C	C	.	.	H	α-helix	trans	-145.8	54.9	-173.5	-53	0	0	0	0	109.8	V158 V241 P252 G303 N309 P310 V313	V158-T307 WeakPolarHBondContact CG1-O 3.27Å; V241-T307 HydrophobicContact CG1-CG2 4.27Å; P252-T307 WeakPolarHBondContact CG-OG1 3.45Å; G303-T307 CarbonylContact O-C 3.56Å; G303-T307 WeakPolarHBondContact O-CA 3.08Å; G303-T307 PolarHBondContact O-N 3.36Å; T307-N309 VanDerWaalsContact C-N 3.29Å; T307-N309 PolarHBondContact O-N 2.91Å; T307-P310 HydrophobicContact CG2-CB 4.31Å; T307-V313 HydrophobicContact CG2-CG2 3.6Å
308	N	93.6	Very high	94.5	Very high	9 Å²	9	20.2 Å²	20.2	5%	0.048	11%	0.108	C	C	.	.	S	Bend	trans	-68.8	-27	180	-165	54.2	0	0	0	114.1	D123 G124 V158 P310 T365 T367	D123-N308 WeakPolarHBondContact CA-O 3.5Å; D123-N308 VanDerWaalsContact CB-O 3.22Å; D123-N308 WeakPolarHBondContact CB-O 2.91Å; G124-N308 VanDerWaalsContact C-OD1 3.27Å; G124-N308 WeakPolarHBondContact CA-OD1 3.03Å; G124-N308 PolarHBondContact N-O 3.25Å; G124-N308 VanDerWaalsContact N-O 3.16Å; G124-N308 PolarHBondContact N-OD1 3.17Å; G124-N308 PolarHBondContact O-ND2 2.86Å; G124-N308 PolarHBondContact O-OD1 3.09Å; V158-N308 VanDerWaalsContact CG1-O 3.26Å; V158-N308 WeakPolarHBondContact CG1-O 3.39Å; N308-P310 WeakPolarHBondContact O-CD 3.48Å; N308-T365 HydrophobicContact CB-CG2 4.2Å; N308-T365 VanDerWaalsContact CG-CB 3.43Å; N308-T365 WeakPolarHBondContact ND2-CB 3.41Å; N308-T365 PolarHBondContact ND2-O 3.13Å; N308-T367 HydrophobicContact CB-CG2 4.38Å; N308-T367 VanDerWaalsContact ND2-CG2 3.25Å; N308-T367 WeakPolarHBondContact ND2-CG2 3.21Å
309	N	95.9	Very high	94.7	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.011	12%	0.115	C	C	.	.	S	Bend	trans	-104.3	95.2	166.8	-179.6	-14.7	0	0	0	109.2	D123 T307 T311 T367 V370 R385	D123-N309 WeakPolarHBondContact OD1-CA 3.12Å; T307-N309 VanDerWaalsContact C-N 3.29Å; T307-N309 PolarHBondContact O-N 2.91Å; N309-T311 PolarHBondContact O-N 2.91Å; N309-T311 WeakPolarHBondContact OD1-CB 3.29Å; N309-T311 PolarHBondContact OD1-N 2.95Å; N309-T311 PolarHBondContact OD1-OG1 3.21Å; N309-T367 HydrophobicContact CB-CG2 4.18Å; N309-T367 PolarHBondContact ND2-O 2.63Å; N309-T367 VanDerWaalsContact ND2-O 3.16Å; N309-V370 HydrophobicContact CB-CB 4.01Å; N309-V370 HydrophobicContact CB-CG1 4.23Å; N309-V370 HydrophobicContact CB-CG2 4.34Å; N309-R385 PolarHBondContact ND2-NH1 3.42Å
310	P	97.7	Very high	94.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	11.3	-172.7	32.1	-32.9	0	0	0	113.2	S121 I122 I156 V158 V241 T307 N308 A312 V313 G314	S121-P310 WeakPolarHBondContact OG-CG 3.26Å; I122-P310 WeakPolarHBondContact O-CG 3.38Å; I156-P310 HydrophobicContact CD1-CB 4.21Å; I156-P310 HydrophobicContact CG1-CB 4.12Å; I156-P310 HydrophobicContact CG2-CB 4.35Å; I156-P310 HydrophobicContact CG2-CG 4.38Å; V158-P310 HydrophobicContact CB-CB 4.46Å; V158-P310 HydrophobicContact CB-CG 4.25Å; V158-P310 HydrophobicContact CG1-CB 4.48Å; V158-P310 HydrophobicContact CG1-CG 3.91Å; V241-P310 HydrophobicContact CG2-CB 4.08Å; T307-P310 HydrophobicContact CG2-CB 4.31Å; N308-P310 WeakPolarHBondContact O-CD 3.48Å; P310-A312 PolarHBondContact O-N 3.43Å; P310-V313 PolarHBondContact O-N 2.99Å; P310-G314 PolarHBondContact O-N 3.34Å
311	T	98.3	Very high	94.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.2	-39.2	-173.9	-50.3	0	0	0	0	112.3	L119 S121 N309 V313 G314 I315 V330 S332 L374 Y383	L119-T311 HydrophobicContact CD2-CG2 4.46Å; S121-T311 VanDerWaalsContact CB-OG1 3.25Å; S121-T311 WeakPolarHBondContact CB-OG1 3.27Å; S121-T311 VanDerWaalsContact OG-CA 3.24Å; S121-T311 WeakPolarHBondContact OG-CA 3.48Å; S121-T311 PolarHBondContact OG-N 3.39Å; S121-T311 PolarHBondContact OG-OG1 3.49Å; N309-T311 PolarHBondContact O-N 2.91Å; N309-T311 WeakPolarHBondContact OD1-CB 3.29Å; N309-T311 PolarHBondContact OD1-N 2.95Å; N309-T311 PolarHBondContact OD1-OG1 3.21Å; T311-V313 VanDerWaalsContact C-N 3.34Å; T311-G314 PolarHBondContact O-N 2.7Å; T311-I315 HydrophobicContact CG2-CD1 4.24Å; T311-I315 WeakPolarHBondContact O-CG1 3.4Å; T311-I315 PolarHBondContact O-N 2.78Å; T311-V330 HydrophobicContact CG2-CG1 3.59Å; T311-S332 WeakPolarHBondContact OG1-CB 3.48Å; T311-S332 PolarHBondContact OG1-OG 3.47Å; T311-S332 VanDerWaalsContact OG1-OG 3.07Å; T311-L374 HydrophobicContact CG2-CD1 3.5Å; T311-L374 VanDerWaalsContact CG2-CD1 3.5Å; T311-Y383 HydrophobicContact CG2-CE2 4.16Å
312	A	97	Very high	95.1	Very high	44 Å²	44	20.9 Å²	20.9	36%	0.364	11%	0.105	S	C	.	.	H	α-helix	trans	-63.6	-41.8	176	0	0	0	0	0	111.6	P310 I315 H316 V370	P310-A312 PolarHBondContact O-N 3.43Å; A312-I315 PolarHBondContact O-N 3.43Å; A312-H316 PolarHBondContact O-N 3.4Å; A312-V370 HydrophobicContact CB-CG1 4.03Å
313	V	97.7	Very high	95.1	Very high	6 Å²	6	22.7 Å²	22.7	4%	0.036	12%	0.118	C	C	.	.	H	α-helix	trans	-63.4	-44.3	174.5	178	0	0	0	0	110.8	I156 V241 I254 F268 T307 P310 T311 I315 H316 E317	I156-V313 HydrophobicContact CD1-CB 4.15Å; I156-V313 HydrophobicContact CD1-CG1 3.78Å; V241-V313 HydrophobicContact CG2-CG1 4.38Å; I254-V313 HydrophobicContact CD1-CG1 3.43Å; I254-V313 VanDerWaalsContact CD1-CG1 3.43Å; I254-V313 HydrophobicContact CG1-CG1 4.16Å; F268-V313 HydrophobicContact CD2-CG1 4.01Å; F268-V313 HydrophobicContact CE1-CG2 4.48Å; F268-V313 HydrophobicContact CE2-CB 4.32Å; F268-V313 HydrophobicContact CE2-CG1 4.05Å; F268-V313 HydrophobicContact CE2-CG2 3.99Å; F268-V313 HydrophobicContact CZ-CG2 3.94Å; T307-V313 HydrophobicContact CG2-CG2 3.6Å; P310-V313 PolarHBondContact O-N 2.99Å; T311-V313 VanDerWaalsContact C-N 3.34Å; V313-I315 VanDerWaalsContact C-N 3.34Å; V313-I315 PolarHBondContact O-N 2.94Å; V313-H316 WeakPolarHBondContact O-CB 3.47Å; V313-H316 PolarHBondContact O-N 2.96Å; V313-E317 HydrophobicContact CG1-CG 4.49Å; V313-E317 WeakPolarHBondContact O-CG 3.46Å; V313-E317 PolarHBondContact O-N 3.08Å
314	G	98.4	Very high	95.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.4	-39.5	176	0	0	0	0	0	113	P310 T311 C318	P310-G314 PolarHBondContact O-N 3.34Å; T311-G314 PolarHBondContact O-N 2.7Å; G314-C318 VanDerWaalsContact O-CB 3.22Å; G314-C318 WeakPolarHBondContact O-CB 3.45Å; G314-C318 PolarHBondContact O-N 3.33Å; G314-C318 PolarHBondContact O-SG 3.1Å
315	I	98.2	Very high	95.3	Very high	25 Å²	25	29.8 Å²	29.8	13%	0.128	16%	0.158	C	C	.	.	H	α-helix	trans	-64.5	-44.1	174.8	-74.2	171.3	0	0	0	110.7	L119 T311 A312 V313 C318 R319 F327 L374 M378	L119-I315 HydrophobicContact CD2-CG1 3.68Å; T311-I315 HydrophobicContact CG2-CD1 4.24Å; T311-I315 WeakPolarHBondContact O-CG1 3.4Å; T311-I315 PolarHBondContact O-N 2.78Å; A312-I315 PolarHBondContact O-N 3.43Å; V313-I315 VanDerWaalsContact C-N 3.34Å; V313-I315 PolarHBondContact O-N 2.94Å; I315-C318 PolarHBondContact O-N 3.34Å; I315-R319 HydrophobicContact CG2-CG 4.49Å; I315-R319 VanDerWaalsContact O-CG 3.32Å; I315-R319 WeakPolarHBondContact O-CG 3.45Å; I315-R319 PolarHBondContact O-N 2.89Å; I315-F327 HydrophobicContact CB-CZ 4.07Å; I315-F327 HydrophobicContact CG1-CE1 4.25Å; I315-F327 HydrophobicContact CG1-CE2 4.36Å; I315-F327 HydrophobicContact CG1-CZ 3.91Å; I315-F327 HydrophobicContact CG2-CE2 3.87Å; I315-F327 HydrophobicContact CG2-CZ 3.87Å; I315-L374 HydrophobicContact CD1-CD1 3.83Å; I315-L374 HydrophobicContact CD1-CD2 3.63Å; I315-L374 HydrophobicContact CD1-CG 4.38Å; I315-M378 HydrophobicContact CD1-SD 4.45Å
316	H	97.8	Very high	95.7	Very high	47 Å²	47	31.4 Å²	31.4	22%	0.218	17%	0.173	C	C	.	.	H	α-helix	trans	-58.9	-51.9	177.1	171.4	82.5	0	0	0	111.7	S266 S267 F268 A312 V313 C318 R319 L320	S266-H316 PolarHBondContact OG-NE2 3.37Å; S267-H316 PolarHBondContact N-NE2 2.62Å; S267-H316 PolarHBondContact OG-CE1 3.44Å; F268-H316 AromaticContact CD2-CD2 3.51Å; F268-H316 AromaticContact CD2-NE2 3.9Å; F268-H316 HydrophobicContact CE2-CB 4.14Å; F268-H316 AromaticContact CE2-CD2 3.45Å; F268-H316 VanDerWaalsContact CE2-CD2 3.45Å; F268-H316 WeakPolarHBondContact CE2-CD2 3.26Å; F268-H316 AromaticContact CE2-CG 3.81Å; A312-H316 PolarHBondContact O-N 3.4Å; V313-H316 WeakPolarHBondContact O-CB 3.47Å; V313-H316 PolarHBondContact O-N 2.96Å; H316-C318 PolarHBondContact O-N 3.21Å; H316-R319 PolarHBondContact O-N 3.36Å; H316-R319 VanDerWaalsContact O-N 3.15Å; H316-L320 PolarHBondContact O-N 3.36Å
317	E	98.3	Very high	96	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.1	-42.7	177.8	-65.3	-70.9	100	0	0	111.5	Y154 I254 R256 Y258 H260 S266 V313 R319 L320 L321	Y154-E317 HydrophobicContact CE2-CB 4.19Å; I254-E317 HydrophobicContact CD1-CG 3.71Å; R256-E317 IonicContact CZ-OE2 3.28Å; R256-E317 IonicContact NH1-OE1 3.26Å; R256-E317 IonicContact NH1-OE2 3.84Å; R256-E317 PolarHBondContact NH1-OE2 3.41Å; Y258-E317 WeakPolarHBondContact CE2-OE2 3.22Å; Y258-E317 WeakPolarHBondContact OH-CG 3.18Å; Y258-E317 PolarHBondContact OH-OE2 3.04Å; H260-E317 VanDerWaalsContact CE1-CD 3.5Å; H260-E317 IonicContact CE1-OE1 2.85Å; H260-E317 PolarHBondContact CE1-OE1 3.48Å; H260-E317 IonicContact CE1-OE2 3.61Å; H260-E317 PolarHBondContact CE1-OE2 3.49Å; H260-E317 IonicContact NE2-OE1 2.65Å; H260-E317 IonicContact NE2-OE2 3.85Å; H260-E317 PolarHBondContact NE2-OE2 3.18Å; S266-E317 VanDerWaalsContact CB-OE1 3.26Å; S266-E317 WeakPolarHBondContact CB-OE1 3.32Å; S266-E317 PolarHBondContact OG-OE1 3.13Å; V313-E317 HydrophobicContact CG1-CG 4.49Å; V313-E317 WeakPolarHBondContact O-CG 3.46Å; V313-E317 PolarHBondContact O-N 3.08Å; E317-R319 VanDerWaalsContact C-N 3.29Å; E317-R319 PolarHBondContact O-N 2.78Å; E317-L320 PolarHBondContact O-N 3.03Å; E317-L320 VanDerWaalsContact O-N 3.13Å; E317-L321 WeakPolarHBondContact O-CG 3.49Å; E317-L321 PolarHBondContact O-N 2.94Å
318	C	97.9	Very high	96.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.3	-39.3	174.6	-76.9	0	0	0	0	112.8	I117 G314 I315 H316 L320 L321 W322 F327	I117-C318 HydrophobicContact CD1-CB 4.2Å; I117-C318 HydrophobicContact CG2-CB 4.07Å; G314-C318 VanDerWaalsContact O-CB 3.22Å; G314-C318 WeakPolarHBondContact O-CB 3.45Å; G314-C318 PolarHBondContact O-N 3.33Å; G314-C318 PolarHBondContact O-SG 3.1Å; I315-C318 PolarHBondContact O-N 3.34Å; H316-C318 PolarHBondContact O-N 3.21Å; C318-L320 VanDerWaalsContact C-N 3.32Å; C318-L320 PolarHBondContact O-N 3.5Å; C318-L321 PolarHBondContact O-N 2.96Å; C318-W322 HydrophobicContact CB-CE3 4.39Å; C318-W322 PolarHBondContact O-N 3.32Å; C318-F327 HydrophobicContact CB-CE1 3.74Å; C318-F327 HydrophobicContact CB-CZ 3.61Å
319	R	96.7	Very high	96.6	Very high	111 Å²	111	27.4 Å²	27.4	42%	0.419	15%	0.151	S	C	.	.	H	α-helix	trans	-70.3	-27.3	178.5	-75.2	-66.5	-170.6	-173.5	-0.7	113.1	I315 H316 E317 P323 A325 F327	I315-R319 HydrophobicContact CG2-CG 4.49Å; I315-R319 VanDerWaalsContact O-CG 3.32Å; I315-R319 WeakPolarHBondContact O-CG 3.45Å; I315-R319 PolarHBondContact O-N 2.89Å; H316-R319 PolarHBondContact O-N 3.36Å; H316-R319 VanDerWaalsContact O-N 3.15Å; E317-R319 VanDerWaalsContact C-N 3.29Å; E317-R319 PolarHBondContact O-N 2.78Å; R319-P323 WeakPolarHBondContact O-CA 3.38Å; R319-A325 PolarHBondContact NH1-O 2.95Å; R319-F327 HydrophobicContact CG-CE2 4.33Å
320	L	96.9	Very high	96.7	Very high	23 Å²	23	27.3 Å²	27.3	12%	0.12	15%	0.151	C	C	.	.	H	α-helix	trans	-78.2	-35.9	173.8	-62.8	174.6	0	0	0	111.8	H260 R264 H316 E317 C318	H260-L320 WeakPolarHBondContact CD2-CB 3.39Å; R264-L320 HydrophobicContact CB-CB 4.48Å; R264-L320 HydrophobicContact CB-CD2 4.22Å; H316-L320 PolarHBondContact O-N 3.36Å; E317-L320 PolarHBondContact O-N 3.03Å; E317-L320 VanDerWaalsContact O-N 3.13Å; C318-L320 VanDerWaalsContact C-N 3.32Å; C318-L320 PolarHBondContact O-N 3.5Å
321	L	96.5	Very high	96.7	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-73	-42.1	177.1	-71.5	170.7	0	0	0	112.9	V109 Y154 K237 Y258 E317 C318	V109-L321 HydrophobicContact CG1-CB 4.26Å; V109-L321 HydrophobicContact CG1-CD2 4.26Å; V109-L321 HydrophobicContact CG2-CB 4.49Å; V109-L321 HydrophobicContact CG2-CD2 3.47Å; V109-L321 VanDerWaalsContact CG2-CD2 3.47Å; Y154-L321 HydrophobicContact CD2-CD1 3.89Å; Y154-L321 HydrophobicContact CE2-CD1 3.97Å; K237-L321 HydrophobicContact CB-CD1 4.43Å; K237-L321 HydrophobicContact CG-CD1 4.15Å; Y258-L321 HydrophobicContact CD1-CD1 4.43Å; Y258-L321 HydrophobicContact CD2-CD1 3.93Å; Y258-L321 HydrophobicContact CD2-CD2 3.59Å; Y258-L321 HydrophobicContact CD2-CG 4.11Å; Y258-L321 HydrophobicContact CE1-CD1 4.41Å; Y258-L321 HydrophobicContact CE2-CD1 3.86Å; Y258-L321 HydrophobicContact CE2-CD2 4.17Å; Y258-L321 HydrophobicContact CE2-CG 4.2Å; Y258-L321 HydrophobicContact CG-CD1 4.23Å; Y258-L321 HydrophobicContact CG-CD2 4.08Å; E317-L321 WeakPolarHBondContact O-CG 3.49Å; E317-L321 PolarHBondContact O-N 2.94Å; C318-L321 PolarHBondContact O-N 2.96Å
322	W	95.8	Very high	96.7	Very high	26 Å²	26	27.3 Å²	27.3	10%	0.098	15%	0.151	C	C	.	.	S	Bend	trans	-132.4	70.7	-176.9	-57	-77.3	0	0	0	111.3	V109 R110 V112 I117 D153 Y154 K237 C318 D324 A325	V109-W322 HydrophobicContact CG1-CD2 4.32Å; V109-W322 HydrophobicContact CG1-CZ2 3.81Å; V109-W322 VanDerWaalsContact CG1-NE1 3.3Å; R110-W322 PolarHBondContact O-NE1 2.86Å; V112-W322 HydrophobicContact CG1-CD2 3.81Å; V112-W322 HydrophobicContact CG1-CG 3.81Å; V112-W322 HydrophobicContact CG1-CZ2 4.39Å; I117-W322 HydrophobicContact CD1-CB 3.85Å; I117-W322 HydrophobicContact CD1-CE3 4.3Å; I117-W322 HydrophobicContact CG1-CB 4.06Å; I117-W322 HydrophobicContact CG1-CD2 4.46Å; I117-W322 HydrophobicContact CG1-CE3 4.22Å; I117-W322 HydrophobicContact CG1-CG 4.44Å; I117-W322 HydrophobicContact CG2-CE3 4.1Å; I117-W322 HydrophobicContact CG2-CZ3 4.25Å; D153-W322 HydrophobicContact CB-CH2 4.06Å; D153-W322 HydrophobicContact CB-CZ2 4.34Å; Y154-W322 HydrophobicContact CD2-CZ3 4.43Å; K237-W322 HydrophobicContact CB-CH2 4.33Å; K237-W322 HydrophobicContact CG-CH2 3.72Å; K237-W322 HydrophobicContact CG-CZ2 4.21Å; C318-W322 HydrophobicContact CB-CE3 4.39Å; C318-W322 PolarHBondContact O-N 3.32Å; W322-D324 VanDerWaalsContact C-N 3.3Å; W322-D324 PolarHBondContact O-N 3.04Å; W322-A325 HydrophobicContact CB-CB 3.82Å; W322-A325 PolarHBondContact O-N 3.04Å
323	P	93.3	Very high	96.8	Very high	49 Å²	49	25.2 Å²	25.2	32%	0.318	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-36.5	-172.4	22.7	-33.9	0	0	0	113.7	R319	R319-P323 WeakPolarHBondContact O-CA 3.38Å
324	D	90.9	Very high	96.7	Very high	130 Å²	130	25 Å²	25	70%	0.695	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.5	-176	-65.7	-22.1	0	0	0	112.9	W322 K447	W322-D324 VanDerWaalsContact C-N 3.3Å; W322-D324 PolarHBondContact O-N 3.04Å; D324-K447 IonicContact OD2-NZ 2.89Å; D324-K447 PolarHBondContact OD2-NZ 2.91Å
325	A	92.8	Very high	96.4	Very high	20 Å²	20	25.2 Å²	25.2	17%	0.165	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-94.7	139.5	-178.5	0	0	0	0	0	112	V112 I117 R319 W322	V112-A325 HydrophobicContact CG2-CB 4.49Å; I117-A325 HydrophobicContact CD1-CB 4.03Å; I117-A325 HydrophobicContact CG1-CB 3.76Å; R319-A325 PolarHBondContact NH1-O 2.95Å; W322-A325 HydrophobicContact CB-CB 3.82Å; W322-A325 PolarHBondContact O-N 3.04Å
326	S	94.7	Very high	95.8	Very high	72 Å²	72	24.7 Å²	24.7	50%	0.503	13%	0.134	S	C	.	.	P	Polyproline II helix	trans	-82.9	160.8	169.1	59.7	0	0	0	0	110.7	G116 I117	G116-S326 CarbonylContact C-O 3.49Å; G116-S326 WeakPolarHBondContact CA-O 3.48Å; I117-S326 PolarHBondContact N-O 3.31Å
327	F	97.6	Very high	95.3	Very high	11 Å²	11	26.7 Å²	26.7	5%	0.048	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	125	171.1	-73.5	-84.3	0	0	0	110.4	I117 L119 I315 C318 R319 V330 M378	I117-F327 HydrophobicContact CB-CD1 3.79Å; I117-F327 HydrophobicContact CB-CE1 4Å; I117-F327 HydrophobicContact CB-CG 4.45Å; I117-F327 HydrophobicContact CD1-CD1 4.46Å; I117-F327 HydrophobicContact CD1-CE1 4.17Å; I117-F327 HydrophobicContact CD1-CE2 4.48Å; I117-F327 HydrophobicContact CD1-CZ 4.17Å; I117-F327 HydrophobicContact CG2-CD1 3.95Å; I117-F327 HydrophobicContact CG2-CE1 3.76Å; L119-F327 HydrophobicContact CB-CD1 4.49Å; L119-F327 HydrophobicContact CB-CE1 4.27Å; L119-F327 HydrophobicContact CD2-CE1 4.18Å; I315-F327 HydrophobicContact CB-CZ 4.07Å; I315-F327 HydrophobicContact CG1-CE1 4.25Å; I315-F327 HydrophobicContact CG1-CE2 4.36Å; I315-F327 HydrophobicContact CG1-CZ 3.91Å; I315-F327 HydrophobicContact CG2-CE2 3.87Å; I315-F327 HydrophobicContact CG2-CZ 3.87Å; C318-F327 HydrophobicContact CB-CE1 3.74Å; C318-F327 HydrophobicContact CB-CZ 3.61Å; R319-F327 HydrophobicContact CG-CE2 4.33Å; F327-V330 HydrophobicContact CB-CG2 4.02Å; F327-V330 HydrophobicContact CD1-CG2 3.47Å; F327-V330 VanDerWaalsContact CD1-CG2 3.47Å; F327-V330 HydrophobicContact CE1-CG2 4.14Å; F327-V330 HydrophobicContact CG-CG2 3.85Å; F327-M378 HydrophobicContact CB-CE 3.81Å; F327-M378 HydrophobicContact CD2-CE 3.94Å; F327-M378 HydrophobicContact CG-CE 3.93Å
328	Q	97	Very high	94.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-48.1	169.4	168.9	168	-21.4	0	0	110.4	S115 I117 R118 R428 L429 R431	S115-Q328 VanDerWaalsContact OG-CD 3.26Å; S115-Q328 PolarHBondContact OG-OE1 3.18Å; I117-Q328 PolarHBondContact O-N 2.81Å; R118-Q328 HydrophobicContact CG-CB 4.14Å; R118-Q328 HydrophobicContact CG-CG 4.14Å; Q328-R428 HydrophobicContact CG-CG 4.45Å; Q328-R428 WeakPolarHBondContact CG-O 3.16Å; Q328-R428 PolarHBondContact NE2-O 3.12Å; Q328-R428 WeakPolarHBondContact O-CG 3.24Å; Q328-R428 PolarHBondContact O-NE 2.78Å; Q328-L429 PolarHBondContact NE2-O 3.48Å; Q328-R431 PolarHBondContact NE2-O 3.09Å
329	C	98.3	Very high	93	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	135.1	-179.7	-171.1	0	0	0	0	110.1	I117 R118 L119 S382 R428 L429	I117-C329 PolarHBondContact O-N 2.74Å; R118-C329 CarbonylContact C-O 3.6Å; R118-C329 VanDerWaalsContact CA-O 3.29Å; R118-C329 WeakPolarHBondContact CA-O 3.22Å; L119-C329 PolarHBondContact N-O 3.33Å; C329-S382 CarbonylContact C-O 3.44Å; C329-S382 WeakPolarHBondContact CA-O 3.25Å; C329-R428 HydrophobicContact CB-CB 4.46Å; C329-R428 HydrophobicContact CB-CG 4.05Å; C329-L429 HydrophobicContact CB-CD2 3.64Å; C329-L429 HydrophobicContact CB-CG 4.07Å
330	V	98.7	Very high	91.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	106.8	170.8	179.4	0	0	0	0	106.3	L119 T311 F327 M378 S382 Y383 Y384	L119-V330 HydrophobicContact CB-CG1 4.42Å; L119-V330 HydrophobicContact CB-CG2 4.23Å; L119-V330 HydrophobicContact CD2-CG1 3.85Å; L119-V330 HydrophobicContact CD2-CG2 4.3Å; L119-V330 HydrophobicContact CG-CG1 4.13Å; L119-V330 CarbonylContact O-C 3.6Å; L119-V330 WeakPolarHBondContact O-CA 3.23Å; T311-V330 HydrophobicContact CG2-CG1 3.59Å; F327-V330 HydrophobicContact CB-CG2 4.02Å; F327-V330 HydrophobicContact CD1-CG2 3.47Å; F327-V330 VanDerWaalsContact CD1-CG2 3.47Å; F327-V330 HydrophobicContact CE1-CG2 4.14Å; F327-V330 HydrophobicContact CG-CG2 3.85Å; V330-M378 HydrophobicContact CG2-CE 3.75Å; V330-S382 PolarHBondContact N-O 2.87Å; V330-Y383 HydrophobicContact CB-CD2 4.02Å; V330-Y383 HydrophobicContact CG1-CD2 3.78Å; V330-Y383 HydrophobicContact CG1-CE2 4.16Å; V330-Y384 PolarHBondContact O-N 3.28Å
331	L	98.7	Very high	89	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	109.2	174.1	-177.4	61.1	0	0	0	108.6	L119 L120 S121 L139 F152 L333 Y384 M386	L119-L331 PolarHBondContact O-N 2.71Å; L120-L331 HydrophobicContact CD1-CB 4.22Å; L120-L331 HydrophobicContact CD1-CD2 4.07Å; L120-L331 HydrophobicContact CD1-CG 4.11Å; S121-L331 PolarHBondContact N-O 3.41Å; L139-L331 HydrophobicContact CD2-CD2 3.61Å; F152-L331 HydrophobicContact CE1-CB 4Å; F152-L331 HydrophobicContact CZ-CB 4.14Å; F152-L331 HydrophobicContact CZ-CD2 3.88Å; L331-L333 HydrophobicContact CD1-CD2 3.86Å; L331-L333 HydrophobicContact CD2-CD2 4.1Å; L331-L333 HydrophobicContact CG-CD2 3.77Å; L331-L333 HydrophobicContact CG-CG 4.2Å; L331-Y384 CarbonylContact C-O 3.58Å; L331-Y384 WeakPolarHBondContact CA-O 3.36Å; L331-M386 HydrophobicContact CD1-CG 3.82Å
332	S	98.4	Very high	86.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121.2	173.9	172.8	0	0	0	0	108.9	S121 T311 Y384 R385 M386	S121-S332 CarbonylContact O-C 3.5Å; S121-S332 WeakPolarHBondContact O-CA 3.16Å; T311-S332 WeakPolarHBondContact OG1-CB 3.48Å; T311-S332 PolarHBondContact OG1-OG 3.47Å; T311-S332 VanDerWaalsContact OG1-OG 3.07Å; S332-Y384 PolarHBondContact N-O 3.17Å; S332-R385 CarbonylContact O-C 3.59Å; S332-R385 WeakPolarHBondContact O-CA 3.42Å; S332-R385 WeakPolarHBondContact OG-CD 3.27Å; S332-R385 PolarHBondContact OG-NH1 3.47Å; S332-M386 PolarHBondContact O-N 2.86Å
333	L	98.1	Very high	83.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.3	-178.5	-60.3	-173.5	0	0	0	110.5	L120 S121 D123 A132 V135 L136 L331 M386	L120-L333 HydrophobicContact CD1-CD1 3.84Å; L120-L333 HydrophobicContact CD1-CG 4Å; S121-L333 PolarHBondContact O-N 3.28Å; D123-L333 WeakPolarHBondContact CB-O 3.42Å; D123-L333 VanDerWaalsContact CG-O 3.25Å; D123-L333 PolarHBondContact N-O 2.91Å; A132-L333 HydrophobicContact CB-CB 4.25Å; A132-L333 HydrophobicContact CB-CD1 4.42Å; V135-L333 HydrophobicContact CB-CD2 4.49Å; V135-L333 HydrophobicContact CG1-CD2 3.82Å; L136-L333 HydrophobicContact CD1-CD1 3.84Å; L136-L333 HydrophobicContact CD2-CD1 3.55Å; L136-L333 HydrophobicContact CG-CD1 3.46Å; L136-L333 VanDerWaalsContact CG-CD1 3.46Å; L331-L333 HydrophobicContact CD1-CD2 3.86Å; L331-L333 HydrophobicContact CD2-CD2 4.1Å; L331-L333 HydrophobicContact CG-CD2 3.77Å; L331-L333 HydrophobicContact CG-CG 4.2Å; L333-M386 WeakPolarHBondContact CA-O 3.48Å; L333-M386 HydrophobicContact CD2-CB 3.68Å; L333-M386 HydrophobicContact CD2-CG 4.18Å
334	G	95.2	Very high	81.6	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.01	31%	0.306	C	S	.	.			trans	-83.3	152.4	166.4	0	0	0	0	0	111.3	D123 G336 M386 D387	D123-G334 WeakPolarHBondContact OD2-CA 3.48Å; G334-G336 PolarHBondContact O-N 3.21Å; G334-M386 PolarHBondContact N-O 3.29Å; G334-D387 WeakPolarHBondContact CA-OD1 3.39Å
335	N	92.2	Very high	79.2	Confident	6 Å²	6	59.3 Å²	59.3	3%	0.032	31%	0.313	C	S	.	.	S	Bend	trans	-90.3	25.4	174.4	-63.5	-39.8	0	0	0	112.1	D123 G124 R128 G129 A132 T160	D123-N335 PolarHBondContact O-ND2 3.01Å; G124-N335 PolarHBondContact O-ND2 2.92Å; R128-N335 HydrophobicContact CB-CB 3.95Å; R128-N335 VanDerWaalsContact CB-O 3.23Å; R128-N335 WeakPolarHBondContact CB-O 3.25Å; G129-N335 WeakPolarHBondContact CA-OD1 3.48Å; A132-N335 VanDerWaalsContact CB-OD1 3.26Å; A132-N335 WeakPolarHBondContact CB-OD1 3.47Å; T160-N335 VanDerWaalsContact CG2-ND2 3.33Å; T160-N335 WeakPolarHBondContact CG2-ND2 3.3Å
336	G	86.5	Confident	76.9	Confident	14 Å²	14	68 Å²	68	14%	0.144	35%	0.347	C	S	.	.			trans	97.4	149.3	176.3	0	0	0	0	0	113.4	G334 D387 P388 M390	G334-G336 PolarHBondContact O-N 3.21Å; G336-D387 VanDerWaalsContact CA-OD1 3.28Å; G336-D387 WeakPolarHBondContact CA-OD1 3.42Å; G336-D387 PolarHBondContact N-OD1 3.09Å; G336-D387 VanDerWaalsContact N-OD1 3.12Å; G336-P388 CarbonylContact C-O 3.59Å; G336-P388 WeakPolarHBondContact CA-O 3.2Å; G336-M390 WeakPolarHBondContact O-CE 3.49Å
337	H	85.7	Confident	74.7	Confident	88 Å²	88	68.4 Å²	68.4	41%	0.407	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-126.6	135.8	175.9	86.4	93.6	0	0	0	110.3	P388 Y389 M390	H337-P388 PolarHBondContact N-O 3.1Å; H337-Y389 AromaticContact CE1-CD2 3.78Å; H337-Y389 AromaticContact NE2-CD2 3.93Å; H337-M390 PolarHBondContact O-N 3.05Å
338	Y	81.3	Confident	72.6	Confident	105 Å²	105	74.8 Å²	74.8	41%	0.412	39%	0.39	S	S	.	.			trans	-98.5	119.5	166.8	-171.8	-112.5	0	0	0	107.3	M390 P393	Y338-M390 HydrophobicContact CD2-CB 4.27Å; Y338-M390 WeakPolarHBondContact CD2-O 3.12Å; Y338-P393 HydrophobicContact CD1-CB 4.37Å
339	G	67.9	Low	70.8	Confident	18 Å²	18	82.1 Å²	82.1	19%	0.186	42%	0.424	C	S	.	.			trans	-63.5	159.6	176.6	0	0	0	0	0	110.9	G341	G339-G341 VanDerWaalsContact C-N 3.31Å; G339-G341 PolarHBondContact O-N 3.5Å
340	P	59.7	Low	68.8	Low	139 Å²	139	92.4 Å²	92.4	90%	0.903	47%	0.47	S	S	*	.			trans	-59.6	98	172.4	24.8	-31.7	0	0	0	108.6
341	G	49.9	Very low	67.1	Low	39 Å²	39	96.4 Å²	96.4	40%	0.402	49%	0.49	S	S	.	.			trans	-57.2	144.3	166.9	0	0	0	0	0	108.2	G339 R343	G339-G341 VanDerWaalsContact C-N 3.31Å; G339-G341 PolarHBondContact O-N 3.5Å; G341-R343 PolarHBondContact O-N 3.08Å; G341-R343 VanDerWaalsContact O-N 3.08Å
342	F	40.5	Very low	65.6	Low	212 Å²	212	98.9 Å²	98.9	93%	0.93	51%	0.507	S	S	*	.	S	Bend	trans	-36.2	117.8	174.5	-121.6	-101.4	0	0	0	110.6	D344	F342-D344 PolarHBondContact O-N 3.19Å
343	R	39.6	Very low	64	Low	225 Å²	225	103.5 Å²	103.5	85%	0.849	53%	0.532	S	S	*	.			trans	8.1	100	172.8	-76.9	178.9	164.5	-177.3	-5.7	112.6	G341 N345	G341-R343 PolarHBondContact O-N 3.08Å; G341-R343 VanDerWaalsContact O-N 3.08Å; R343-N345 PolarHBondContact O-N 3.16Å
344	D	49	Very low	62.3	Low	139 Å²	139	106.6 Å²	106.6	74%	0.743	55%	0.55	S	S	*	*			trans	-46.8	114.4	159.9	-85.7	-25.6	0	0	0	106.4	F342 F346	F342-D344 PolarHBondContact O-N 3.19Å; D344-F346 VanDerWaalsContact C-N 3.29Å; D344-F346 PolarHBondContact O-N 3.34Å
345	N	42.6	Very low	61	Low	155 Å²	155	110.8 Å²	110.8	83%	0.829	57%	0.573	S	S	*	*			trans	-54.3	108.1	164.2	-80.4	-24.8	0	0	0	103.9	R343 S347	R343-N345 PolarHBondContact O-N 3.16Å; N345-S347 PolarHBondContact O-N 2.74Å
346	F	43.7	Very low	59.7	Low	202 Å²	202	117.4 Å²	117.4	89%	0.886	60%	0.597	S	S	*	*			trans	-55.8	95.8	175.6	-92.1	-95	0	0	0	106.6	D344 T348	D344-F346 VanDerWaalsContact C-N 3.29Å; D344-F346 PolarHBondContact O-N 3.34Å; F346-T348 PolarHBondContact O-N 3.29Å
347	S	48.4	Very low	58.9	Low	82 Å²	82	118.8 Å²	118.8	57%	0.573	60%	0.601	S	S	*	*			trans	-71	122.2	164.9	53.8	0	0	0	0	105.2	N345 E349	N345-S347 PolarHBondContact O-N 2.74Å; S347-E349 PolarHBondContact O-N 3.26Å; S347-E349 VanDerWaalsContact O-N 3.12Å
348	T	53.9	Low	58.2	Low	144 Å²	144	115.8 Å²	115.8	88%	0.883	59%	0.591	S	S	*	*			trans	-72.1	11.6	171.8	40.5	0	0	0	0	112.1	F346	F346-T348 PolarHBondContact O-N 3.29Å
349	E	58.3	Low	57.8	Low	155 Å²	155	116.9 Å²	116.9	72%	0.724	60%	0.598	S	S	*	*	S	Bend	trans	-70.8	142.3	178.3	-72.1	-172.2	158.4	0	0	110.9	S347 I351	S347-E349 PolarHBondContact O-N 3.26Å; S347-E349 VanDerWaalsContact O-N 3.12Å; E349-I351 PolarHBondContact O-N 3.4Å
350	F	55.9	Low	57.9	Low	216 Å²	216	121.6 Å²	121.6	95%	0.947	62%	0.618	S	S	*	*			trans	-59.6	104.8	178.2	-83	-89.9	0	0	0	110.1	S352	F350-S352 PolarHBondContact O-N 3.27Å
351	I	63.8	Low	58.4	Low	85 Å²	85	115.2 Å²	115.2	44%	0.436	58%	0.577	S	S	.	*			trans	-63	127.5	171.1	-56.1	176.5	0	0	0	107.8	E349 D355 R356	E349-I351 PolarHBondContact O-N 3.4Å; I351-D355 HydrophobicContact CG2-CB 3.31Å; I351-R356 HydrophobicContact CB-CG 4.12Å; I351-R356 HydrophobicContact CG2-CG 3.72Å
352	S	67.9	Low	59.4	Low	51 Å²	51	117 Å²	117	36%	0.357	58%	0.577	S	S	.	*			trans	-59.1	155.9	178.4	77.5	0	0	0	0	110.5	F350 V354 D355 R356	F350-S352 PolarHBondContact O-N 3.27Å; S352-V354 PolarHBondContact O-N 3.44Å; S352-D355 WeakPolarHBondContact CB-OD2 2.93Å; S352-D355 PolarHBondContact N-OD2 3.16Å; S352-D355 PolarHBondContact O-N 3.44Å; S352-D355 PolarHBondContact OG-N 3.12Å; S352-D355 PolarHBondContact OG-OD2 2.98Å; S352-R356 PolarHBondContact O-N 3Å
353	L	63.8	Low	60.7	Low	98 Å²	98	111.5 Å²	111.5	51%	0.513	56%	0.561	S	S	.	*	H	α-helix	trans	-56.9	-34.9	174.9	-179.8	64	0	0	0	111.1	R356 I357	L353-R356 PolarHBondContact O-N 3.14Å; L353-I357 HydrophobicContact CD1-CD1 4.29Å; L353-I357 HydrophobicContact CD1-CG1 4.5Å; L353-I357 HydrophobicContact CG-CD1 3.97Å; L353-I357 VanDerWaalsContact O-CG1 3.29Å; L353-I357 WeakPolarHBondContact O-CG1 3.24Å; L353-I357 PolarHBondContact O-N 2.56Å
354	V	62.6	Low	61.9	Low	64 Å²	64	102.4 Å²	102.4	39%	0.388	53%	0.534	S	S	.	.	H	α-helix	trans	-62.7	-50.1	177.2	177.4	0	0	0	0	110.8	L201 S352 R356 I357 A358	L201-V354 HydrophobicContact CD2-CG2 3.94Å; S352-V354 PolarHBondContact O-N 3.44Å; V354-R356 VanDerWaalsContact C-N 3.29Å; V354-R356 PolarHBondContact O-N 3.38Å; V354-I357 PolarHBondContact O-N 3.29Å; V354-I357 VanDerWaalsContact O-N 3.17Å; V354-A358 WeakPolarHBondContact O-CB 3.17Å; V354-A358 PolarHBondContact O-N 3.32Å
355	D	67.4	Low	62.7	Low	90 Å²	90	96.5 Å²	96.5	48%	0.481	50%	0.503	S	S	.	.	H	α-helix	trans	-64.2	-35.1	179.6	-62.9	-41.8	0	0	0	111.8	I351 S352 A358 K359	I351-D355 HydrophobicContact CG2-CB 3.31Å; S352-D355 WeakPolarHBondContact CB-OD2 2.93Å; S352-D355 PolarHBondContact N-OD2 3.16Å; S352-D355 PolarHBondContact O-N 3.44Å; S352-D355 PolarHBondContact OG-N 3.12Å; S352-D355 PolarHBondContact OG-OD2 2.98Å; D355-A358 PolarHBondContact O-N 2.97Å; D355-K359 VanDerWaalsContact O-CB 3.28Å; D355-K359 WeakPolarHBondContact O-CB 3.07Å; D355-K359 PolarHBondContact O-N 3.5Å
356	R	65.3	Low	64.3	Low	144 Å²	144	94 Å²	94	54%	0.543	49%	0.487	S	S	.	.	H	α-helix	trans	-64.1	-45.2	173.3	-75.7	-172.5	-74	163.6	-1.6	111.9	I351 S352 L353 V354 K359 L360	I351-R356 HydrophobicContact CB-CG 4.12Å; I351-R356 HydrophobicContact CG2-CG 3.72Å; S352-R356 PolarHBondContact O-N 3Å; L353-R356 PolarHBondContact O-N 3.14Å; V354-R356 VanDerWaalsContact C-N 3.29Å; V354-R356 PolarHBondContact O-N 3.38Å; R356-K359 PolarHBondContact O-N 3.33Å; R356-L360 WeakPolarHBondContact O-CB 3.43Å; R356-L360 PolarHBondContact O-N 3.18Å
357	I	70.3	Confident	66.1	Low	43 Å²	43	85.8 Å²	85.8	22%	0.221	45%	0.453	C	S	.	.	H	α-helix	trans	-64.7	-46.4	176.8	-68.2	166.6	0	0	0	109.8	L353 V354 K359 L360 V361	L353-I357 HydrophobicContact CD1-CD1 4.29Å; L353-I357 HydrophobicContact CD1-CG1 4.5Å; L353-I357 HydrophobicContact CG-CD1 3.97Å; L353-I357 VanDerWaalsContact O-CG1 3.29Å; L353-I357 WeakPolarHBondContact O-CG1 3.24Å; L353-I357 PolarHBondContact O-N 2.56Å; V354-I357 PolarHBondContact O-N 3.29Å; V354-I357 VanDerWaalsContact O-N 3.17Å; I357-K359 VanDerWaalsContact C-N 3.33Å; I357-K359 PolarHBondContact O-N 3.43Å; I357-L360 WeakPolarHBondContact O-CB 3.41Å; I357-L360 PolarHBondContact O-N 3.46Å; I357-L360 VanDerWaalsContact O-N 3.15Å; I357-V361 HydrophobicContact CG2-CG2 4.23Å; I357-V361 WeakPolarHBondContact O-CG2 3.26Å; I357-V361 PolarHBondContact O-N 2.89Å
358	A	71.5	Confident	67.8	Low	25 Å²	25	86.9 Å²	86.9	21%	0.207	45%	0.452	C	S	.	.	H	α-helix	trans	-58.3	-44.7	178.3	0	0	0	0	0	111.8	V354 D355 V361 D362	V354-A358 WeakPolarHBondContact O-CB 3.17Å; V354-A358 PolarHBondContact O-N 3.32Å; D355-A358 PolarHBondContact O-N 2.97Å; A358-V361 PolarHBondContact O-N 3.32Å; A358-D362 WeakPolarHBondContact O-CB 3.25Å; A358-D362 PolarHBondContact O-N 3.03Å
359	K	71.2	Confident	69.4	Low	129 Å²	129	84 Å²	84	56%	0.561	43%	0.434	S	S	*	.	H	α-helix	trans	-65.3	-38.1	176.1	-171.4	171.7	-175.1	169.9	0	112.6	D355 R356 I357 T363	D355-K359 VanDerWaalsContact O-CB 3.28Å; D355-K359 WeakPolarHBondContact O-CB 3.07Å; D355-K359 PolarHBondContact O-N 3.5Å; R356-K359 PolarHBondContact O-N 3.33Å; I357-K359 VanDerWaalsContact C-N 3.33Å; I357-K359 PolarHBondContact O-N 3.43Å; K359-T363 WeakPolarHBondContact O-CB 3.34Å; K359-T363 PolarHBondContact O-N 3.42Å; K359-T363 PolarHBondContact O-OG1 3.35Å
360	L	70.5	Confident	71.1	Confident	116 Å²	116	78.3 Å²	78.3	61%	0.607	41%	0.41	S	S	*	.	H	α-helix	trans	-65.4	-45.7	176.3	-175.6	69.7	0	0	0	111.2	R356 I357 T363 A364	R356-L360 WeakPolarHBondContact O-CB 3.43Å; R356-L360 PolarHBondContact O-N 3.18Å; I357-L360 WeakPolarHBondContact O-CB 3.41Å; I357-L360 PolarHBondContact O-N 3.46Å; I357-L360 VanDerWaalsContact O-N 3.15Å; L360-T363 PolarHBondContact O-N 2.99Å; L360-A364 WeakPolarHBondContact O-CB 3.45Å; L360-A364 PolarHBondContact O-N 3.15Å
361	V	71.1	Confident	72.9	Confident	6 Å²	6	70.4 Å²	70.4	4%	0.036	38%	0.376	C	S	.	.	H	α-helix	trans	-63.4	-44.7	176.8	177.7	0	0	0	0	110.1	M305 I357 A358 T363 A364 T365 M396	M305-V361 HydrophobicContact SD-CG1 4.37Å; M305-V361 HydrophobicContact SD-CG2 4.27Å; I357-V361 HydrophobicContact CG2-CG2 4.23Å; I357-V361 WeakPolarHBondContact O-CG2 3.26Å; I357-V361 PolarHBondContact O-N 2.89Å; A358-V361 PolarHBondContact O-N 3.32Å; V361-T363 VanDerWaalsContact C-N 3.3Å; V361-T363 PolarHBondContact O-N 3.05Å; V361-A364 PolarHBondContact O-N 3.24Å; V361-T365 WeakPolarHBondContact O-CG2 3.27Å; V361-T365 PolarHBondContact O-N 3.24Å; V361-T365 PolarHBondContact O-OG1 3.44Å; V361-M396 HydrophobicContact CB-CE 3.9Å; V361-M396 HydrophobicContact CG1-CE 3.54Å; V361-M396 HydrophobicContact CG1-SD 4.03Å
362	D	71.2	Confident	74.3	Confident	77 Å²	77	70.2 Å²	70.2	41%	0.412	38%	0.378	S	S	.	.	H	α-helix	trans	-63.2	-36.1	178.3	-161.6	54.6	0	0	0	112.2	R128 A358 T365	R128-D362 IonicContact CZ-OD1 3.87Å; R128-D362 IonicContact NH1-OD1 3.66Å; R128-D362 PolarHBondContact NH1-OD1 3.24Å; R128-D362 IonicContact NH2-OD1 3.16Å; R128-D362 PolarHBondContact NH2-OD1 3.42Å; A358-D362 WeakPolarHBondContact O-CB 3.25Å; A358-D362 PolarHBondContact O-N 3.03Å; D362-T365 VanDerWaalsContact C-OG1 3.29Å; D362-T365 VanDerWaalsContact CA-OG1 3.3Å; D362-T365 WeakPolarHBondContact CA-OG1 3.48Å; D362-T365 PolarHBondContact O-N 3.45Å; D362-T365 PolarHBondContact O-OG1 3.28Å
363	T	65.8	Low	75.6	Confident	96 Å²	96	71.2 Å²	71.2	59%	0.589	38%	0.383	S	S	*	.	H	α-helix	trans	-69.9	-41.1	174.4	-53.1	0	0	0	0	112.2	K359 L360 V361 T365 E366	K359-T363 WeakPolarHBondContact O-CB 3.34Å; K359-T363 PolarHBondContact O-N 3.42Å; K359-T363 PolarHBondContact O-OG1 3.35Å; L360-T363 PolarHBondContact O-N 2.99Å; V361-T363 VanDerWaalsContact C-N 3.3Å; V361-T363 PolarHBondContact O-N 3.05Å; T363-T365 PolarHBondContact O-N 3.5Å; T363-E366 PolarHBondContact O-N 3.27Å
364	A	64.7	Low	77.2	Confident	34 Å²	34	67.3 Å²	67.3	28%	0.281	36%	0.362	S	S	.	.	H	α-helix	trans	-64.7	-27.1	176.8	0	0	0	0	0	111.7	M305 L360 V361 E366	M305-A364 HydrophobicContact CE-CB 4.13Å; M305-A364 HydrophobicContact SD-CB 4.34Å; L360-A364 WeakPolarHBondContact O-CB 3.45Å; L360-A364 PolarHBondContact O-N 3.15Å; V361-A364 PolarHBondContact O-N 3.24Å; A364-E366 PolarHBondContact O-N 3.02Å
365	T	67.4	Low	78.7	Confident	15 Å²	15	67 Å²	67	9%	0.092	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	30.2	176.6	55.9	0	0	0	0	114.7	N308 V361 D362 T363 T367	N308-T365 HydrophobicContact CB-CG2 4.2Å; N308-T365 VanDerWaalsContact CG-CB 3.43Å; N308-T365 WeakPolarHBondContact ND2-CB 3.41Å; N308-T365 PolarHBondContact ND2-O 3.13Å; V361-T365 WeakPolarHBondContact O-CG2 3.27Å; V361-T365 PolarHBondContact O-N 3.24Å; V361-T365 PolarHBondContact O-OG1 3.44Å; D362-T365 VanDerWaalsContact C-OG1 3.29Å; D362-T365 VanDerWaalsContact CA-OG1 3.3Å; D362-T365 WeakPolarHBondContact CA-OG1 3.48Å; D362-T365 PolarHBondContact O-N 3.45Å; D362-T365 PolarHBondContact O-OG1 3.28Å; T363-T365 PolarHBondContact O-N 3.5Å; T365-T367 PolarHBondContact O-N 2.94Å
366	E	74.7	Confident	80	Confident	103 Å²	103	66.8 Å²	66.8	48%	0.481	37%	0.374	S	S	.	.			trans	-63.5	131.8	178.3	-163.3	-134.6	134	0	0	111.8	T363 A364 L368 T369	T363-E366 PolarHBondContact O-N 3.27Å; A364-E366 PolarHBondContact O-N 3.02Å; E366-L368 HydrophobicContact CG-CB 4.43Å; E366-L368 WeakPolarHBondContact OE1-CB 3.17Å; E366-L368 PolarHBondContact OE1-N 3.13Å; E366-T369 WeakPolarHBondContact OE1-CB 3.27Å; E366-T369 PolarHBondContact OE1-N 3.49Å; E366-T369 PolarHBondContact OE1-OG1 3.02Å; E366-T369 PolarHBondContact OE2-OG1 3.22Å
367	T	82.5	Confident	81.5	Confident	28 Å²	28	66.3 Å²	66.3	17%	0.172	38%	0.381	C	S	.	.			trans	-114.3	-12.6	-177.3	60.2	0	0	0	0	113	D123 N308 N309 T365 H371 R385	D123-T367 HydrophobicContact CB-CG2 4.42Å; D123-T367 WeakPolarHBondContact OD2-CG2 3.47Å; N308-T367 HydrophobicContact CB-CG2 4.38Å; N308-T367 VanDerWaalsContact ND2-CG2 3.25Å; N308-T367 WeakPolarHBondContact ND2-CG2 3.21Å; N309-T367 HydrophobicContact CB-CG2 4.18Å; N309-T367 PolarHBondContact ND2-O 2.63Å; N309-T367 VanDerWaalsContact ND2-O 3.16Å; T365-T367 PolarHBondContact O-N 2.94Å; T367-H371 PolarHBondContact O-N 3.47Å; T367-R385 VanDerWaalsContact CB-NH2 3.32Å; T367-R385 PolarHBondContact OG1-NH2 3.4Å; T367-R385 VanDerWaalsContact OG1-NH2 3.17Å
368	L	83.8	Confident	82.7	Confident	105 Å²	105	65.7 Å²	65.7	55%	0.55	38%	0.378	S	S	.	.	H	α-helix	trans	-71.9	-40.7	-166.5	-179.8	63.2	0	0	0	112.1	E366 V370 H371 T372	E366-L368 HydrophobicContact CG-CB 4.43Å; E366-L368 WeakPolarHBondContact OE1-CB 3.17Å; E366-L368 PolarHBondContact OE1-N 3.13Å; L368-V370 PolarHBondContact O-N 3.5Å; L368-H371 PolarHBondContact O-N 3.21Å; L368-T372 VanDerWaalsContact O-CB 3.29Å; L368-T372 WeakPolarHBondContact O-CB 3.49Å; L368-T372 PolarHBondContact O-N 2.99Å; L368-T372 PolarHBondContact O-OG1 3.31Å
369	T	88.2	Confident	83.7	Confident	83 Å²	83	68 Å²	68	51%	0.509	39%	0.391	S	S	.	.	H	α-helix	trans	-57.5	-52.9	179.6	-66	0	0	0	0	111.3	E366 H371 T372 T373	E366-T369 WeakPolarHBondContact OE1-CB 3.27Å; E366-T369 PolarHBondContact OE1-N 3.49Å; E366-T369 PolarHBondContact OE1-OG1 3.02Å; E366-T369 PolarHBondContact OE2-OG1 3.22Å; T369-H371 VanDerWaalsContact C-N 3.35Å; T369-H371 PolarHBondContact O-N 3.23Å; T369-T372 PolarHBondContact O-N 2.9Å; T369-T373 PolarHBondContact O-N 3.15Å; T369-T373 PolarHBondContact O-OG1 3.22Å; T369-T373 VanDerWaalsContact O-OG1 3.07Å
370	V	93.3	Very high	84.7	Confident	37 Å²	37	66.4 Å²	66.4	22%	0.224	40%	0.401	C	S	.	.	H	α-helix	trans	-61.2	-43.8	178.1	174.2	0	0	0	0	111.2	N309 A312 L368 L374	N309-V370 HydrophobicContact CB-CB 4.01Å; N309-V370 HydrophobicContact CB-CG1 4.23Å; N309-V370 HydrophobicContact CB-CG2 4.34Å; A312-V370 HydrophobicContact CB-CG1 4.03Å; L368-V370 PolarHBondContact O-N 3.5Å; V370-L374 HydrophobicContact CG1-CD1 3.77Å; V370-L374 HydrophobicContact CG1-CG 4.29Å; V370-L374 WeakPolarHBondContact O-CB 3.22Å; V370-L374 VanDerWaalsContact O-CG 3.3Å; V370-L374 WeakPolarHBondContact O-CG 3.3Å; V370-L374 PolarHBondContact O-N 3.13Å
371	H	93.8	Very high	85.9	Confident	50 Å²	50	64 Å²	64	23%	0.231	39%	0.394	C	S	.	.	H	α-helix	trans	-61.6	-45	178.3	174.7	47.8	0	0	0	112.4	T367 L368 T369 L374 S375 Y383 R385	T367-H371 PolarHBondContact O-N 3.47Å; L368-H371 PolarHBondContact O-N 3.21Å; T369-H371 VanDerWaalsContact C-N 3.35Å; T369-H371 PolarHBondContact O-N 3.23Å; H371-L374 PolarHBondContact O-N 3.4Å; H371-S375 PolarHBondContact CE1-OG 3.37Å; H371-S375 PolarHBondContact ND1-OG 2.91Å; H371-S375 VanDerWaalsContact O-CB 3.3Å; H371-S375 WeakPolarHBondContact O-CB 3.37Å; H371-S375 PolarHBondContact O-N 3.18Å; H371-S375 PolarHBondContact O-OG 3.4Å; H371-Y383 AromaticContact CE1-CE1 3.81Å; H371-Y383 AromaticContact ND1-CE1 3.46Å; H371-Y383 WeakPolarHBondContact ND1-CE1 3.38Å; H371-Y383 AromaticContact ND1-CZ 3.66Å; H371-Y383 PolarHBondContact ND1-OH 2.99Å; H371-R385 WeakPolarHBondContact CE1-CB 3.33Å; H371-R385 WeakPolarHBondContact ND1-CB 3.34Å
372	T	93.3	Very high	87.1	Confident	80 Å²	80	63.9 Å²	63.9	49%	0.491	39%	0.394	S	S	.	.	H	α-helix	trans	-62.6	-48.4	-179.4	-58.3	0	0	0	0	110.4	L368 T369 S375 A376	L368-T372 VanDerWaalsContact O-CB 3.29Å; L368-T372 WeakPolarHBondContact O-CB 3.49Å; L368-T372 PolarHBondContact O-N 2.99Å; L368-T372 PolarHBondContact O-OG1 3.31Å; T369-T372 PolarHBondContact O-N 2.9Å; T372-S375 PolarHBondContact O-N 2.93Å; T372-A376 PolarHBondContact O-N 3.37Å
373	T	95.4	Very high	88.4	Confident	73 Å²	73	61 Å²	61	45%	0.448	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-48.5	177.8	-57.1	0	0	0	0	111.7	T369 S375 A376 L377	T369-T373 PolarHBondContact O-N 3.15Å; T369-T373 PolarHBondContact O-OG1 3.22Å; T369-T373 VanDerWaalsContact O-OG1 3.07Å; T373-S375 PolarHBondContact O-N 2.99Å; T373-A376 PolarHBondContact O-N 3.35Å; T373-L377 HydrophobicContact CG2-CD1 3.74Å; T373-L377 HydrophobicContact CG2-CG 4.45Å; T373-L377 WeakPolarHBondContact O-CG 3.19Å; T373-L377 PolarHBondContact O-N 2.95Å; T373-L377 VanDerWaalsContact O-N 3.1Å
374	L	96.2	Very high	89.9	Confident	16 Å²	16	57.5 Å²	57.5	8%	0.084	35%	0.353	C	S	.	.	H	α-helix	trans	-69.5	-33.2	-177.7	-68	-179.5	0	0	0	113	T311 I315 V370 H371 A376 L377 M378 Y383	T311-L374 HydrophobicContact CG2-CD1 3.5Å; T311-L374 VanDerWaalsContact CG2-CD1 3.5Å; I315-L374 HydrophobicContact CD1-CD1 3.83Å; I315-L374 HydrophobicContact CD1-CD2 3.63Å; I315-L374 HydrophobicContact CD1-CG 4.38Å; V370-L374 HydrophobicContact CG1-CD1 3.77Å; V370-L374 HydrophobicContact CG1-CG 4.29Å; V370-L374 WeakPolarHBondContact O-CB 3.22Å; V370-L374 VanDerWaalsContact O-CG 3.3Å; V370-L374 WeakPolarHBondContact O-CG 3.3Å; V370-L374 PolarHBondContact O-N 3.13Å; H371-L374 PolarHBondContact O-N 3.4Å; L374-A376 PolarHBondContact O-N 2.85Å; L374-L377 PolarHBondContact O-N 3.39Å; L374-M378 HydrophobicContact CD2-CG 4.43Å; L374-M378 VanDerWaalsContact O-CB 3.25Å; L374-M378 WeakPolarHBondContact O-CB 3.42Å; L374-M378 WeakPolarHBondContact O-CG 3.47Å; L374-M378 PolarHBondContact O-N 3.26Å; L374-Y383 HydrophobicContact CB-CD2 4.44Å; L374-Y383 HydrophobicContact CB-CE1 4.23Å; L374-Y383 HydrophobicContact CB-CE2 4.06Å; L374-Y383 HydrophobicContact CD1-CE2 4.11Å
375	S	94.7	Very high	91.4	Very high	57 Å²	57	56.3 Å²	56.3	40%	0.399	34%	0.342	S	S	.	.	H	α-helix	trans	-63.3	-31.5	174.5	-60	0	0	0	0	112.5	H371 T372 T373 Y383	H371-S375 PolarHBondContact CE1-OG 3.37Å; H371-S375 PolarHBondContact ND1-OG 2.91Å; H371-S375 VanDerWaalsContact O-CB 3.3Å; H371-S375 WeakPolarHBondContact O-CB 3.37Å; H371-S375 PolarHBondContact O-N 3.18Å; H371-S375 PolarHBondContact O-OG 3.4Å; T372-S375 PolarHBondContact O-N 2.93Å; T373-S375 PolarHBondContact O-N 2.99Å; S375-Y383 WeakPolarHBondContact OG-CE1 3.3Å
376	A	95.4	Very high	92.9	Very high	86 Å²	86	55.6 Å²	55.6	71%	0.711	34%	0.337	S	S	*	.	H	α-helix	trans	-81	-32.9	177.1	0	0	0	0	0	113.1	T372 T373 L374	T372-A376 PolarHBondContact O-N 3.37Å; T373-A376 PolarHBondContact O-N 3.35Å; L374-A376 PolarHBondContact O-N 2.85Å
377	L	95.7	Very high	93.8	Very high	133 Å²	133	51.9 Å²	51.9	70%	0.696	32%	0.321	S	S	*	.	H	α-helix	trans	-92.5	-31.3	-174.1	-66.2	178.1	0	0	0	114.2	T373 L374	T373-L377 HydrophobicContact CG2-CD1 3.74Å; T373-L377 HydrophobicContact CG2-CG 4.45Å; T373-L377 WeakPolarHBondContact O-CG 3.19Å; T373-L377 PolarHBondContact O-N 2.95Å; T373-L377 VanDerWaalsContact O-N 3.1Å; L374-L377 PolarHBondContact O-N 3.39Å
378	M	95.4	Very high	94.5	Very high	30 Å²	30	50.5 Å²	50.5	15%	0.148	31%	0.312	C	S	.	.	S	Bend	trans	-92.5	146.9	-174.9	-66.9	-74	-70.6	0	0	111.4	I315 F327 V330 L374 A380 Y383	I315-M378 HydrophobicContact CD1-SD 4.45Å; F327-M378 HydrophobicContact CB-CE 3.81Å; F327-M378 HydrophobicContact CD2-CE 3.94Å; F327-M378 HydrophobicContact CG-CE 3.93Å; V330-M378 HydrophobicContact CG2-CE 3.75Å; L374-M378 HydrophobicContact CD2-CG 4.43Å; L374-M378 VanDerWaalsContact O-CB 3.25Å; L374-M378 WeakPolarHBondContact O-CB 3.42Å; L374-M378 WeakPolarHBondContact O-CG 3.47Å; L374-M378 PolarHBondContact O-N 3.26Å; M378-A380 PolarHBondContact O-N 3.26Å; M378-Y383 HydrophobicContact CB-CG 4.35Å
379	P	94.3	Very high	94.8	Very high	75 Å²	75	50.7 Å²	50.7	49%	0.487	31%	0.307	S	S	.	.			trans	-57.7	132.1	171.2	-22.1	32.6	0	0	0	111	S381 S382 Y383	P379-S381 PolarHBondContact O-N 2.99Å; P379-S382 PolarHBondContact O-N 3.49Å; P379-Y383 PolarHBondContact O-N 2.86Å
380	A	91.9	Very high	95	Very high	94 Å²	94	46.9 Å²	46.9	78%	0.777	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-25	179.3	0	0	0	0	0	113.4	M378 S382	M378-A380 PolarHBondContact O-N 3.26Å; A380-S382 VanDerWaalsContact C-N 3.25Å; A380-S382 PolarHBondContact O-N 3.09Å
381	S	94.1	Very high	94.9	Very high	65 Å²	65	47.7 Å²	47.7	46%	0.455	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-1.9	175.5	62.7	0	0	0	0	114.6	P379 Y384 R428	P379-S381 PolarHBondContact O-N 2.99Å; S381-Y384 PolarHBondContact O-OH 3.41Å; S381-R428 WeakPolarHBondContact O-CD 3.33Å; S381-R428 PolarHBondContact O-NE 3.45Å
382	S	96.6	Very high	94.6	Very high	5 Å²	5	50.1 Å²	50.1	4%	0.035	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-18.2	-174.5	-52	0	0	0	0	112.9	C329 V330 P379 A380 R428	C329-S382 CarbonylContact C-O 3.44Å; C329-S382 WeakPolarHBondContact CA-O 3.25Å; V330-S382 PolarHBondContact N-O 2.87Å; P379-S382 PolarHBondContact O-N 3.49Å; A380-S382 VanDerWaalsContact C-N 3.25Å; A380-S382 PolarHBondContact O-N 3.09Å; S382-R428 PolarHBondContact OG-NH2 3.42Å
383	Y	98.2	Very high	94.3	Very high	16 Å²	16	49.9 Å²	49.9	6%	0.063	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.2	177.3	177.6	-107.6	0	0	0	112	T311 V330 H371 L374 S375 M378 P379 R385	T311-Y383 HydrophobicContact CG2-CE2 4.16Å; V330-Y383 HydrophobicContact CB-CD2 4.02Å; V330-Y383 HydrophobicContact CG1-CD2 3.78Å; V330-Y383 HydrophobicContact CG1-CE2 4.16Å; H371-Y383 AromaticContact CE1-CE1 3.81Å; H371-Y383 AromaticContact ND1-CE1 3.46Å; H371-Y383 WeakPolarHBondContact ND1-CE1 3.38Å; H371-Y383 AromaticContact ND1-CZ 3.66Å; H371-Y383 PolarHBondContact ND1-OH 2.99Å; L374-Y383 HydrophobicContact CB-CD2 4.44Å; L374-Y383 HydrophobicContact CB-CE1 4.23Å; L374-Y383 HydrophobicContact CB-CE2 4.06Å; L374-Y383 HydrophobicContact CD1-CE2 4.11Å; S375-Y383 WeakPolarHBondContact OG-CE1 3.3Å; M378-Y383 HydrophobicContact CB-CG 4.35Å; P379-Y383 PolarHBondContact O-N 2.86Å; Y383-R385 HydrophobicContact CE1-CB 4.26Å
384	Y	98.1	Very high	93.9	Very high	23 Å²	23	46.9 Å²	46.9	9%	0.09	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	108.4	-177.5	-59.2	-91.1	0	0	0	109.7	V330 L331 S332 S381 K421 A424 A425 R428	V330-Y384 PolarHBondContact O-N 3.28Å; L331-Y384 CarbonylContact C-O 3.58Å; L331-Y384 WeakPolarHBondContact CA-O 3.36Å; S332-Y384 PolarHBondContact N-O 3.17Å; S381-Y384 PolarHBondContact O-OH 3.41Å; Y384-K421 HydrophobicContact CD1-CG 4.2Å; Y384-A424 HydrophobicContact CE1-CB 3.85Å; Y384-A425 HydrophobicContact CD1-CB 3.84Å; Y384-A425 HydrophobicContact CD2-CB 3.95Å; Y384-A425 HydrophobicContact CE1-CB 4.23Å; Y384-A425 HydrophobicContact CE2-CB 4.33Å; Y384-A425 HydrophobicContact CG-CB 3.69Å; Y384-R428 HydrophobicContact CE2-CB 4.23Å; Y384-R428 HydrophobicContact CE2-CG 4.29Å
385	R	97.1	Very high	93.3	Very high	9 Å²	9	49.5 Å²	49.5	3%	0.034	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.2	168.7	176.1	68.4	172.3	-162.8	5	110.4	D123 N309 S332 T367 H371 Y383 D387 K421	D123-R385 IonicContact OD1-NH1 2.92Å; D123-R385 PolarHBondContact OD1-NH1 3.23Å; D123-R385 IonicContact OD2-CZ 2.83Å; D123-R385 IonicContact OD2-NH1 2.86Å; D123-R385 PolarHBondContact OD2-NH1 3.33Å; D123-R385 IonicContact OD2-NH2 2.61Å; D123-R385 PolarHBondContact OD2-NH2 2.96Å; N309-R385 PolarHBondContact ND2-NH1 3.42Å; S332-R385 CarbonylContact O-C 3.59Å; S332-R385 WeakPolarHBondContact O-CA 3.42Å; S332-R385 WeakPolarHBondContact OG-CD 3.27Å; S332-R385 PolarHBondContact OG-NH1 3.47Å; T367-R385 VanDerWaalsContact CB-NH2 3.32Å; T367-R385 PolarHBondContact OG1-NH2 3.4Å; T367-R385 VanDerWaalsContact OG1-NH2 3.17Å; H371-R385 WeakPolarHBondContact CE1-CB 3.33Å; H371-R385 WeakPolarHBondContact ND1-CB 3.34Å; Y383-R385 HydrophobicContact CE1-CB 4.26Å; R385-D387 HydrophobicContact CG-CB 4.37Å; R385-D387 IonicContact CZ-OD2 3.13Å; R385-D387 IonicContact NE-OD2 3.43Å; R385-D387 IonicContact NH2-OD2 2.87Å; R385-D387 PolarHBondContact NH2-OD2 3.42Å; R385-K421 WeakPolarHBondContact O-CE 3.48Å; R385-K421 PolarHBondContact O-NZ 3.01Å
386	M	97.3	Very high	92.6	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	112.8	169.9	-58.2	-68.3	-78.6	0	0	107.8	V135 L331 S332 L333 G334 Y414 N418 K421 L422	V135-M386 HydrophobicContact CG1-CB 3.98Å; V135-M386 HydrophobicContact CG1-CE 4.32Å; V135-M386 HydrophobicContact CG1-CG 4.2Å; L331-M386 HydrophobicContact CD1-CG 3.82Å; S332-M386 PolarHBondContact O-N 2.86Å; L333-M386 WeakPolarHBondContact CA-O 3.48Å; L333-M386 HydrophobicContact CD2-CB 3.68Å; L333-M386 HydrophobicContact CD2-CG 4.18Å; G334-M386 PolarHBondContact N-O 3.29Å; M386-Y414 HydrophobicContact CB-CE1 4.26Å; M386-Y414 HydrophobicContact CE-CE1 3.88Å; M386-Y414 HydrophobicContact SD-CE1 4.42Å; M386-N418 HydrophobicContact CE-CB 4.19Å; M386-K421 HydrophobicContact SD-CB 4.3Å; M386-K421 HydrophobicContact SD-CD 3.73Å; M386-K421 HydrophobicContact SD-CG 3.9Å; M386-L422 HydrophobicContact CE-CB 3.96Å; M386-L422 HydrophobicContact CE-CD1 4.2Å
387	D	95.5	Very high	91.8	Very high	24 Å²	24	45.5 Å²	45.5	13%	0.128	26%	0.256	C	S	.	.			trans	-137	96.3	-176.7	-162	-2.8	0	0	0	108.7	G334 G336 R385 Y414	G334-D387 WeakPolarHBondContact CA-OD1 3.39Å; G336-D387 VanDerWaalsContact CA-OD1 3.28Å; G336-D387 WeakPolarHBondContact CA-OD1 3.42Å; G336-D387 PolarHBondContact N-OD1 3.09Å; G336-D387 VanDerWaalsContact N-OD1 3.12Å; R385-D387 HydrophobicContact CG-CB 4.37Å; R385-D387 IonicContact CZ-OD2 3.13Å; R385-D387 IonicContact NE-OD2 3.43Å; R385-D387 IonicContact NH2-OD2 2.87Å; R385-D387 PolarHBondContact NH2-OD2 3.42Å; D387-Y414 PolarHBondContact N-OH 2.98Å; D387-Y414 VanDerWaalsContact O-CE2 3.25Å; D387-Y414 WeakPolarHBondContact O-CE2 3.46Å
388	P	95.2	Very high	91.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-58.6	143.7	-175.2	-30	39.1	0	0	0	114.2	M131 V135 G336 H337 A411 Y414	M131-P388 HydrophobicContact CB-CB 4.45Å; M131-P388 HydrophobicContact CB-CG 4.2Å; M131-P388 HydrophobicContact CE-CB 3.55Å; M131-P388 HydrophobicContact SD-CB 4.42Å; V135-P388 HydrophobicContact CG2-CG 3.89Å; G336-P388 CarbonylContact C-O 3.59Å; G336-P388 WeakPolarHBondContact CA-O 3.2Å; H337-P388 PolarHBondContact N-O 3.1Å; P388-A411 HydrophobicContact CB-CB 4.38Å; P388-A411 HydrophobicContact CG-CB 4.34Å; P388-Y414 HydrophobicContact CB-CD1 4.05Å; P388-Y414 HydrophobicContact CB-CD2 4.47Å; P388-Y414 HydrophobicContact CB-CG 3.92Å; P388-Y414 HydrophobicContact CG-CD1 3.79Å; P388-Y414 HydrophobicContact CG-CE1 4.22Å; P388-Y414 HydrophobicContact CG-CG 4.19Å
389	Y	91.5	Very high	90.7	Very high	109 Å²	109	40.8 Å²	40.8	43%	0.427	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-81.1	134.5	170.6	172.2	-100.3	0	0	0	110.1	H337	H337-Y389 AromaticContact CE1-CD2 3.78Å; H337-Y389 AromaticContact NE2-CD2 3.93Å
390	M	91.8	Very high	90.3	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.015	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-87	128.9	171.7	-52	-178.5	-144	0	0	110.2	M131 G336 H337 Y338 R392 Y394	M131-M390 HydrophobicContact CE-CG 4.23Å; M131-M390 HydrophobicContact SD-CG 4.06Å; G336-M390 WeakPolarHBondContact O-CE 3.49Å; H337-M390 PolarHBondContact O-N 3.05Å; Y338-M390 HydrophobicContact CD2-CB 4.27Å; Y338-M390 WeakPolarHBondContact CD2-O 3.12Å; M390-R392 VanDerWaalsContact CB-O 3.27Å; M390-R392 WeakPolarHBondContact CB-O 3.42Å; M390-R392 PolarHBondContact O-N 2.73Å; M390-Y394 HydrophobicContact CB-CD2 3.99Å; M390-Y394 HydrophobicContact CB-CE2 3.97Å; M390-Y394 HydrophobicContact CG-CD2 3.94Å; M390-Y394 HydrophobicContact CG-CE2 4.28Å; M390-Y394 HydrophobicContact SD-CD2 3.7Å; M390-Y394 HydrophobicContact SD-CG 4.46Å
391	S	90.5	Very high	90.1	Very high	53 Å²	53	41.3 Å²	41.3	37%	0.371	22%	0.221	S	C	.	.	S	Bend	trans	-68.1	-18.9	176.9	62.7	0	0	0	0	113.7	D410	S391-D410 VanDerWaalsContact CB-OD1 3.29Å; S391-D410 WeakPolarHBondContact CB-OD1 3.5Å; S391-D410 WeakPolarHBondContact CB-OD2 3.37Å; S391-D410 PolarHBondContact N-OD2 2.63Å; S391-D410 VanDerWaalsContact OG-CG 3.29Å; S391-D410 PolarHBondContact OG-OD1 3.42Å; S391-D410 VanDerWaalsContact OG-OD1 3.06Å; S391-D410 PolarHBondContact OG-OD2 2.91Å
392	R	89.4	Confident	90	Very high	101 Å²	101	42.4 Å²	42.4	38%	0.381	23%	0.225	S	C	.	.	S	Bend	trans	-152.8	161.4	-177.8	65.2	-171.9	68.3	-159	-1.8	108.9	M390 Y394	M390-R392 VanDerWaalsContact CB-O 3.27Å; M390-R392 WeakPolarHBondContact CB-O 3.42Å; M390-R392 PolarHBondContact O-N 2.73Å; R392-Y394 HydrophobicContact CG-CD1 4.21Å; R392-Y394 HydrophobicContact CG-CE1 3.57Å; R392-Y394 HydrophobicContact CG-CE2 4.19Å; R392-Y394 PolarHBondContact O-N 3.28Å
393	P	86.7	Confident	89.7	Confident	76 Å²	76	45.8 Å²	45.8	49%	0.494	24%	0.237	S	C	.	.			trans	-66.8	130.2	173.5	27.4	-33.7	0	0	0	110.5	Y338 R403	Y338-P393 HydrophobicContact CD1-CB 4.37Å; P393-R403 PolarHBondContact O-NH2 3.27Å
394	Y	86.9	Confident	89.4	Confident	9 Å²	9	45.5 Å²	45.5	4%	0.035	24%	0.236	C	C	.	.			trans	-113.8	136.2	167.6	-57	-67.6	0	0	0	109.1	M390 R392 R403 M406 M407 D410	M390-Y394 HydrophobicContact CB-CD2 3.99Å; M390-Y394 HydrophobicContact CB-CE2 3.97Å; M390-Y394 HydrophobicContact CG-CD2 3.94Å; M390-Y394 HydrophobicContact CG-CE2 4.28Å; M390-Y394 HydrophobicContact SD-CD2 3.7Å; M390-Y394 HydrophobicContact SD-CG 4.46Å; R392-Y394 HydrophobicContact CG-CD1 4.21Å; R392-Y394 HydrophobicContact CG-CE1 3.57Å; R392-Y394 HydrophobicContact CG-CE2 4.19Å; R392-Y394 PolarHBondContact O-N 3.28Å; Y394-R403 HydrophobicContact CD1-CB 4.48Å; Y394-R403 HydrophobicContact CE1-CB 4.39Å; Y394-M406 HydrophobicContact CE1-CB 4.43Å; Y394-M406 WeakPolarHBondContact OH-CB 3.42Å; Y394-M407 HydrophobicContact CD1-CE 4.15Å; Y394-M407 HydrophobicContact CD2-CB 4.15Å; Y394-M407 HydrophobicContact CD2-CE 3.96Å; Y394-M407 HydrophobicContact CD2-CG 4.11Å; Y394-M407 HydrophobicContact CE1-CB 4.26Å; Y394-M407 HydrophobicContact CE2-CB 3.86Å; Y394-M407 HydrophobicContact CE2-CG 4.15Å; Y394-M407 HydrophobicContact CG-CE 3.64Å; Y394-M407 PolarHBondContact OH-N 2.87Å; Y394-D410 WeakPolarHBondContact CE2-OD2 3.47Å; Y394-D410 PolarHBondContact OH-OD2 3.17Å
395	T	83	Confident	89.2	Confident	72 Å²	72	50.7 Å²	50.7	44%	0.442	26%	0.259	S	S	.	.			trans	-77	160.4	176.3	64.6	0	0	0	0	110.7	D397 E398	T395-D397 WeakPolarHBondContact CB-OD1 3.08Å; T395-D397 PolarHBondContact O-N 2.83Å; T395-D397 PolarHBondContact OG1-OD1 2.93Å; T395-E398 WeakPolarHBondContact O-CB 3.15Å; T395-E398 PolarHBondContact O-N 3.17Å; T395-E398 PolarHBondContact OG1-N 2.65Å
396	M	80	Confident	89.1	Confident	25 Å²	25	53.1 Å²	53.1	12%	0.123	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.8	176.3	-72.4	-177.3	-70.2	0	0	112.9	G126 A127 Y289 V361	G126-M396 CarbonylContact C-O 3.35Å; G126-M396 VanDerWaalsContact CA-O 3.29Å; G126-M396 WeakPolarHBondContact CA-O 3.39Å; A127-M396 PolarHBondContact N-O 3.49Å; Y289-M396 HydrophobicContact CE2-CE 3.87Å; V361-M396 HydrophobicContact CB-CE 3.9Å; V361-M396 HydrophobicContact CG1-CE 3.54Å; V361-M396 HydrophobicContact CG1-SD 4.03Å
397	D	79.4	Confident	88.9	Confident	34 Å²	34	53.1 Å²	53.1	18%	0.182	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	25.3	-179.1	67.1	-21.5	0	0	0	112.6	F190 Y208 Y289 T395 S399	F190-D397 HydrophobicContact CE1-CB 4.43Å; F190-D397 HydrophobicContact CZ-CB 4.11Å; Y208-D397 HydrophobicContact CE2-CB 3.82Å; Y208-D397 WeakPolarHBondContact OH-CB 3.47Å; Y208-D397 VanDerWaalsContact OH-CG 3.32Å; Y208-D397 PolarHBondContact OH-OD2 3.41Å; Y289-D397 HydrophobicContact CD1-CB 4.48Å; Y289-D397 HydrophobicContact CE1-CB 3.89Å; T395-D397 WeakPolarHBondContact CB-OD1 3.08Å; T395-D397 PolarHBondContact O-N 2.83Å; T395-D397 PolarHBondContact OG1-OD1 2.93Å; D397-S399 PolarHBondContact O-N 3.23Å
398	E	84.5	Confident	88.9	Confident	14 Å²	14	53.4 Å²	53.4	7%	0.065	27%	0.272	C	S	.	.			trans	-52.9	126.9	177.2	-176.6	63.2	-105	0	0	110.7	A127 T395 N400 R403 L404 M407	A127-E398 HydrophobicContact CB-CB 4.34Å; A127-E398 WeakPolarHBondContact CB-O 3.29Å; T395-E398 WeakPolarHBondContact O-CB 3.15Å; T395-E398 PolarHBondContact O-N 3.17Å; T395-E398 PolarHBondContact OG1-N 2.65Å; E398-N400 VanDerWaalsContact OE1-CB 3.24Å; E398-N400 WeakPolarHBondContact OE1-CB 3.39Å; E398-N400 PolarHBondContact OE1-N 2.64Å; E398-N400 VanDerWaalsContact OE1-N 3.09Å; E398-R403 HydrophobicContact CG-CB 4.04Å; E398-R403 IonicContact OE1-NE 2.84Å; E398-R403 IonicContact OE2-CZ 3.64Å; E398-R403 IonicContact OE2-NE 3.92Å; E398-R403 PolarHBondContact OE2-NE 2.95Å; E398-R403 IonicContact OE2-NH2 3.36Å; E398-R403 PolarHBondContact OE2-NH2 3.34Å; E398-R403 VanDerWaalsContact OE2-NH2 3.13Å; E398-L404 HydrophobicContact CB-CD2 4.14Å; E398-L404 HydrophobicContact CG-CD2 3.82Å; E398-L404 HydrophobicContact CG-CG 4.25Å; E398-M407 HydrophobicContact CB-CE 4.35Å; E398-M407 HydrophobicContact CG-CE 4.43Å
399	S	82.7	Confident	89	Confident	49 Å²	49	57.2 Å²	57.2	34%	0.343	29%	0.293	S	S	.	.			trans	-128.7	-12.4	-174.7	62.7	0	0	0	0	112.7	D397 L401	D397-S399 PolarHBondContact O-N 3.23Å; S399-L401 PolarHBondContact O-N 2.87Å
400	N	86.3	Confident	89.3	Confident	72 Å²	72	53 Å²	53	39%	0.385	28%	0.278	S	S	.	.			trans	-71.6	115.2	179.5	-179.5	-67.2	0	0	0	109.5	E398 T402 R403 L404	E398-N400 VanDerWaalsContact OE1-CB 3.24Å; E398-N400 WeakPolarHBondContact OE1-CB 3.39Å; E398-N400 PolarHBondContact OE1-N 2.64Å; E398-N400 VanDerWaalsContact OE1-N 3.09Å; N400-T402 PolarHBondContact O-N 3.26Å; N400-T402 VanDerWaalsContact O-N 3.16Å; N400-T402 WeakPolarHBondContact OD1-CA 3.44Å; N400-T402 WeakPolarHBondContact OD1-CB 3.44Å; N400-T402 PolarHBondContact OD1-N 3.05Å; N400-R403 HydrophobicContact CB-CB 4.06Å; N400-R403 HydrophobicContact CB-CG 4.06Å; N400-R403 CarbonylContact O-C 3.52Å; N400-R403 WeakPolarHBondContact O-CA 3.27Å; N400-R403 PolarHBondContact O-N 3.01Å; N400-R403 PolarHBondContact OD1-N 2.93Å; N400-L404 WeakPolarHBondContact O-CG 3.14Å; N400-L404 PolarHBondContact O-N 3.32Å
401	L	87.6	Confident	89.5	Confident	108 Å²	108	52.9 Å²	52.9	57%	0.565	28%	0.277	S	S	*	.	H	α-helix	trans	-53.1	-37.8	-178.7	-71	176.8	0	0	0	113.8	L187 S399 L404 K405	L187-L401 HydrophobicContact CD1-CD2 4.49Å; L187-L401 HydrophobicContact CD2-CD1 4.2Å; L187-L401 HydrophobicContact CD2-CD2 3.93Å; L187-L401 HydrophobicContact CD2-CG 4.21Å; L187-L401 HydrophobicContact CG-CD2 4.35Å; S399-L401 PolarHBondContact O-N 2.87Å; L401-L404 HydrophobicContact CD2-CD1 4.45Å; L401-K405 WeakPolarHBondContact O-CB 3.39Å; L401-K405 PolarHBondContact O-N 2.88Å
402	T	91.3	Very high	89.8	Confident	89 Å²	89	52.4 Å²	52.4	55%	0.546	27%	0.27	S	S	.	.	H	α-helix	trans	-65.7	-41.3	176.7	-52.7	0	0	0	0	111.1	N400 K405 M406	N400-T402 PolarHBondContact O-N 3.26Å; N400-T402 VanDerWaalsContact O-N 3.16Å; N400-T402 WeakPolarHBondContact OD1-CA 3.44Å; N400-T402 WeakPolarHBondContact OD1-CB 3.44Å; N400-T402 PolarHBondContact OD1-N 3.05Å; T402-K405 PolarHBondContact O-N 3.24Å; T402-M406 HydrophobicContact CG2-CE 3.82Å; T402-M406 VanDerWaalsContact O-CG 3.3Å; T402-M406 WeakPolarHBondContact O-CG 3.38Å; T402-M406 PolarHBondContact O-N 2.76Å
403	R	91.3	Very high	90.2	Very high	76 Å²	76	50.3 Å²	50.3	29%	0.287	27%	0.267	S	S	.	.	H	α-helix	trans	-73.3	-36.4	179.1	-64.9	177.2	56.1	91.8	8.4	112.1	P393 Y394 E398 N400 K405 M406 M407	P393-R403 PolarHBondContact O-NH2 3.27Å; Y394-R403 HydrophobicContact CD1-CB 4.48Å; Y394-R403 HydrophobicContact CE1-CB 4.39Å; E398-R403 HydrophobicContact CG-CB 4.04Å; E398-R403 IonicContact OE1-NE 2.84Å; E398-R403 IonicContact OE2-CZ 3.64Å; E398-R403 IonicContact OE2-NE 3.92Å; E398-R403 PolarHBondContact OE2-NE 2.95Å; E398-R403 IonicContact OE2-NH2 3.36Å; E398-R403 PolarHBondContact OE2-NH2 3.34Å; E398-R403 VanDerWaalsContact OE2-NH2 3.13Å; N400-R403 HydrophobicContact CB-CB 4.06Å; N400-R403 HydrophobicContact CB-CG 4.06Å; N400-R403 CarbonylContact O-C 3.52Å; N400-R403 WeakPolarHBondContact O-CA 3.27Å; N400-R403 PolarHBondContact O-N 3.01Å; N400-R403 PolarHBondContact OD1-N 2.93Å; R403-K405 VanDerWaalsContact C-N 3.32Å; R403-K405 PolarHBondContact O-N 3.08Å; R403-M406 PolarHBondContact O-N 2.81Å; R403-M407 WeakPolarHBondContact O-CB 3.48Å; R403-M407 PolarHBondContact O-N 2.98Å
404	L	91.5	Very high	90.8	Very high	9 Å²	9	48.4 Å²	48.4	5%	0.047	25%	0.25	C	C	.	.	H	α-helix	trans	-60.4	-42.8	170.5	-66.4	176.1	0	0	0	111.3	A127 L130 P186 E398 N400 L401 M407 Q408	A127-L404 HydrophobicContact CB-CD2 4.38Å; L130-L404 HydrophobicContact CD1-CB 4.13Å; L130-L404 HydrophobicContact CD1-CD2 3.82Å; L130-L404 HydrophobicContact CD1-CG 4.43Å; P186-L404 HydrophobicContact CB-CD1 4.19Å; P186-L404 HydrophobicContact CG-CD1 4.19Å; E398-L404 HydrophobicContact CB-CD2 4.14Å; E398-L404 HydrophobicContact CG-CD2 3.82Å; E398-L404 HydrophobicContact CG-CG 4.25Å; N400-L404 WeakPolarHBondContact O-CG 3.14Å; N400-L404 PolarHBondContact O-N 3.32Å; L401-L404 HydrophobicContact CD2-CD1 4.45Å; L404-M407 HydrophobicContact CD2-CE 4.4Å; L404-M407 WeakPolarHBondContact O-CB 3.33Å; L404-M407 PolarHBondContact O-N 2.85Å; L404-Q408 WeakPolarHBondContact O-CG 3.42Å; L404-Q408 PolarHBondContact O-N 3Å
405	K	93.2	Very high	91.3	Very high	133 Å²	133	48 Å²	48	58%	0.578	25%	0.248	S	C	*	.	H	α-helix	trans	-64.4	-41.9	175.5	-171.4	147.2	-174.6	167.4	0	112.7	L401 T402 R403 M407 Q408 D409	L401-K405 WeakPolarHBondContact O-CB 3.39Å; L401-K405 PolarHBondContact O-N 2.88Å; T402-K405 PolarHBondContact O-N 3.24Å; R403-K405 VanDerWaalsContact C-N 3.32Å; R403-K405 PolarHBondContact O-N 3.08Å; K405-M407 VanDerWaalsContact C-N 3.28Å; K405-M407 PolarHBondContact O-N 3.19Å; K405-Q408 WeakPolarHBondContact O-CB 3.27Å; K405-Q408 PolarHBondContact O-N 2.92Å; K405-D409 PolarHBondContact O-N 2.88Å
406	M	95.1	Very high	91.9	Very high	60 Å²	60	51.9 Å²	51.9	30%	0.296	26%	0.255	S	S	.	.	H	α-helix	trans	-60.1	-38.6	173.4	-70	171	176.8	0	0	112.1	Y394 T402 R403 D409 D410	Y394-M406 HydrophobicContact CE1-CB 4.43Å; Y394-M406 WeakPolarHBondContact OH-CB 3.42Å; T402-M406 HydrophobicContact CG2-CE 3.82Å; T402-M406 VanDerWaalsContact O-CG 3.3Å; T402-M406 WeakPolarHBondContact O-CG 3.38Å; T402-M406 PolarHBondContact O-N 2.76Å; R403-M406 PolarHBondContact O-N 2.81Å; M406-D409 WeakPolarHBondContact O-CB 3.48Å; M406-D409 PolarHBondContact O-N 2.95Å; M406-D410 PolarHBondContact O-N 3.33Å
407	M	94.2	Very high	92.8	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-40.6	175.9	179.8	-165.5	-65.9	0	0	111.9	R128 L130 M131 Y394 E398 R403 L404 K405 D410 A411	R128-M407 HydrophobicContact CB-SD 4.45Å; R128-M407 HydrophobicContact CG-CE 4.08Å; L130-M407 HydrophobicContact CB-SD 4.11Å; M131-M407 HydrophobicContact CE-CG 4.38Å; M131-M407 HydrophobicContact CG-CG 3.34Å; M131-M407 HydrophobicContact CG-SD 3.98Å; M131-M407 HydrophobicContact SD-CG 3.77Å; Y394-M407 HydrophobicContact CD1-CE 4.15Å; Y394-M407 HydrophobicContact CD2-CB 4.15Å; Y394-M407 HydrophobicContact CD2-CE 3.96Å; Y394-M407 HydrophobicContact CD2-CG 4.11Å; Y394-M407 HydrophobicContact CE1-CB 4.26Å; Y394-M407 HydrophobicContact CE2-CB 3.86Å; Y394-M407 HydrophobicContact CE2-CG 4.15Å; Y394-M407 HydrophobicContact CG-CE 3.64Å; Y394-M407 PolarHBondContact OH-N 2.87Å; E398-M407 HydrophobicContact CB-CE 4.35Å; E398-M407 HydrophobicContact CG-CE 4.43Å; R403-M407 WeakPolarHBondContact O-CB 3.48Å; R403-M407 PolarHBondContact O-N 2.98Å; L404-M407 HydrophobicContact CD2-CE 4.4Å; L404-M407 WeakPolarHBondContact O-CB 3.33Å; L404-M407 PolarHBondContact O-N 2.85Å; K405-M407 VanDerWaalsContact C-N 3.28Å; K405-M407 PolarHBondContact O-N 3.19Å; M407-D410 PolarHBondContact O-N 3.36Å; M407-A411 PolarHBondContact O-N 3.05Å; M407-A411 VanDerWaalsContact O-N 3.07Å
408	Q	95.2	Very high	93.6	Very high	29 Å²	29	59.6 Å²	59.6	14%	0.136	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-40.7	172.6	-65.5	175.8	-67.8	0	0	111.7	L130 E134 E183 L404 K405 A411 N412	L130-Q408 HydrophobicContact CB-CG 4.44Å; L130-Q408 HydrophobicContact CD1-CG 4.45Å; E134-Q408 HydrophobicContact CG-CB 4.09Å; E134-Q408 HydrophobicContact CG-CG 4.23Å; E134-Q408 WeakPolarHBondContact OE1-CB 3.23Å; E134-Q408 VanDerWaalsContact OE1-CG 3.26Å; E134-Q408 WeakPolarHBondContact OE1-CG 3.24Å; E134-Q408 PolarHBondContact OE1-NE2 3.29Å; E183-Q408 PolarHBondContact OE1-NE2 3.39Å; L404-Q408 WeakPolarHBondContact O-CG 3.42Å; L404-Q408 PolarHBondContact O-N 3Å; K405-Q408 WeakPolarHBondContact O-CB 3.27Å; K405-Q408 PolarHBondContact O-N 2.92Å; Q408-A411 PolarHBondContact O-N 3.42Å; Q408-N412 WeakPolarHBondContact O-CB 3.28Å; Q408-N412 PolarHBondContact O-N 3.5Å; Q408-N412 PolarHBondContact O-ND2 2.97Å
409	D	96.9	Very high	94.2	Very high	81 Å²	81	61.2 Å²	61.2	43%	0.433	30%	0.297	S	S	.	.	H	α-helix	trans	-63.7	-40.6	176.5	-69.5	-27.3	0	0	0	111.7	K405 M406 N412 N413	K405-D409 PolarHBondContact O-N 2.88Å; M406-D409 WeakPolarHBondContact O-CB 3.48Å; M406-D409 PolarHBondContact O-N 2.95Å; D409-N412 PolarHBondContact O-N 2.89Å; D409-N413 WeakPolarHBondContact O-CB 3.37Å; D409-N413 VanDerWaalsContact O-CG 3.3Å; D409-N413 PolarHBondContact O-N 3.19Å; D409-N413 PolarHBondContact O-ND2 3.3Å
410	D	97.2	Very high	94.9	Very high	20 Å²	20	63.2 Å²	63.2	11%	0.107	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-45.5	174.1	-76.6	-18.8	0	0	0	111.5	M131 S391 Y394 M406 M407 N413 Y414	M131-D410 HydrophobicContact CE-CB 3.86Å; S391-D410 VanDerWaalsContact CB-OD1 3.29Å; S391-D410 WeakPolarHBondContact CB-OD1 3.5Å; S391-D410 WeakPolarHBondContact CB-OD2 3.37Å; S391-D410 PolarHBondContact N-OD2 2.63Å; S391-D410 VanDerWaalsContact OG-CG 3.29Å; S391-D410 PolarHBondContact OG-OD1 3.42Å; S391-D410 VanDerWaalsContact OG-OD1 3.06Å; S391-D410 PolarHBondContact OG-OD2 2.91Å; Y394-D410 WeakPolarHBondContact CE2-OD2 3.47Å; Y394-D410 PolarHBondContact OH-OD2 3.17Å; M406-D410 PolarHBondContact O-N 3.33Å; M407-D410 PolarHBondContact O-N 3.36Å; D410-N413 WeakPolarHBondContact O-CB 3.16Å; D410-N413 PolarHBondContact O-N 3.29Å; D410-Y414 PolarHBondContact O-N 3.35Å
411	A	97.2	Very high	95.5	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.8	-43.2	176	0	0	0	0	0	112.2	M131 E134 P388 M407 Q408 N413 Y414 V415	M131-A411 HydrophobicContact CB-CB 3.92Å; M131-A411 HydrophobicContact CE-CB 4.18Å; M131-A411 HydrophobicContact CG-CB 4.18Å; E134-A411 HydrophobicContact CB-CB 3.68Å; E134-A411 HydrophobicContact CG-CB 3.9Å; P388-A411 HydrophobicContact CB-CB 4.38Å; P388-A411 HydrophobicContact CG-CB 4.34Å; M407-A411 PolarHBondContact O-N 3.05Å; M407-A411 VanDerWaalsContact O-N 3.07Å; Q408-A411 PolarHBondContact O-N 3.42Å; A411-N413 PolarHBondContact O-N 3.45Å; A411-Y414 WeakPolarHBondContact O-CB 3.43Å; A411-Y414 PolarHBondContact O-N 3.37Å; A411-V415 WeakPolarHBondContact O-CG2 3.28Å; A411-V415 PolarHBondContact O-N 3.08Å
412	N	97.3	Very high	96	Very high	43 Å²	43	58.3 Å²	58.3	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-36.7	176.1	-79.2	-54.1	0	0	0	112.7	E134 N138 Q408 D409 V415 R416	E134-N412 PolarHBondContact OE2-ND2 3.06Å; N138-N412 PolarHBondContact ND2-OD1 3.28Å; Q408-N412 WeakPolarHBondContact O-CB 3.28Å; Q408-N412 PolarHBondContact O-N 3.5Å; Q408-N412 PolarHBondContact O-ND2 2.97Å; D409-N412 PolarHBondContact O-N 2.89Å; N412-V415 PolarHBondContact O-N 2.73Å; N412-R416 WeakPolarHBondContact O-CG 3.3Å; N412-R416 PolarHBondContact O-N 3.34Å
413	N	97.4	Very high	96.2	Very high	58 Å²	58	57.4 Å²	57.4	31%	0.31	27%	0.269	S	S	.	.	H	α-helix	trans	-60.9	-44.9	170.5	-82.2	-50.1	0	0	0	111.3	D409 D410 A411 R416 K417	D409-N413 WeakPolarHBondContact O-CB 3.37Å; D409-N413 VanDerWaalsContact O-CG 3.3Å; D409-N413 PolarHBondContact O-N 3.19Å; D409-N413 PolarHBondContact O-ND2 3.3Å; D410-N413 WeakPolarHBondContact O-CB 3.16Å; D410-N413 PolarHBondContact O-N 3.29Å; A411-N413 PolarHBondContact O-N 3.45Å; N413-R416 VanDerWaalsContact CG-NH2 3.35Å; N413-R416 PolarHBondContact O-N 2.81Å; N413-R416 PolarHBondContact OD1-NH1 3.1Å; N413-R416 VanDerWaalsContact OD1-NH1 3.15Å; N413-R416 PolarHBondContact OD1-NH2 3.09Å; N413-K417 WeakPolarHBondContact O-CG 3.27Å; N413-K417 PolarHBondContact O-N 3.02Å; N413-K417 VanDerWaalsContact O-N 3.13Å
414	Y	97.6	Very high	96.6	Very high	35 Å²	35	55.6 Å²	55.6	14%	0.137	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-47	176.7	172.9	-94.6	0	0	0	111.9	M386 D387 P388 D410 A411 R416 K417 N418	M386-Y414 HydrophobicContact CB-CE1 4.26Å; M386-Y414 HydrophobicContact CE-CE1 3.88Å; M386-Y414 HydrophobicContact SD-CE1 4.42Å; D387-Y414 PolarHBondContact N-OH 2.98Å; D387-Y414 VanDerWaalsContact O-CE2 3.25Å; D387-Y414 WeakPolarHBondContact O-CE2 3.46Å; P388-Y414 HydrophobicContact CB-CD1 4.05Å; P388-Y414 HydrophobicContact CB-CD2 4.47Å; P388-Y414 HydrophobicContact CB-CG 3.92Å; P388-Y414 HydrophobicContact CG-CD1 3.79Å; P388-Y414 HydrophobicContact CG-CE1 4.22Å; P388-Y414 HydrophobicContact CG-CG 4.19Å; D410-Y414 PolarHBondContact O-N 3.35Å; A411-Y414 WeakPolarHBondContact O-CB 3.43Å; A411-Y414 PolarHBondContact O-N 3.37Å; Y414-R416 VanDerWaalsContact C-N 3.34Å; Y414-R416 PolarHBondContact O-N 3.17Å; Y414-K417 PolarHBondContact O-N 3.17Å; Y414-N418 VanDerWaalsContact CD2-ND2 3.28Å; Y414-N418 WeakPolarHBondContact CD2-ND2 3.42Å; Y414-N418 HydrophobicContact CE1-CB 4.3Å; Y414-N418 WeakPolarHBondContact CE2-ND2 3.39Å; Y414-N418 WeakPolarHBondContact O-CB 3.33Å; Y414-N418 PolarHBondContact O-N 2.98Å; Y414-N418 PolarHBondContact O-ND2 3.15Å
415	V	97.7	Very high	96.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.5	-44.3	178.4	171.5	0	0	0	0	110.8	V135 N138 A411 N412 K417 N418 M419 L422	V135-V415 HydrophobicContact CB-CG2 4.33Å; V135-V415 HydrophobicContact CG2-CG2 3.79Å; N138-V415 HydrophobicContact CB-CG1 3.75Å; A411-V415 WeakPolarHBondContact O-CG2 3.28Å; A411-V415 PolarHBondContact O-N 3.08Å; N412-V415 PolarHBondContact O-N 2.73Å; V415-K417 VanDerWaalsContact C-N 3.32Å; V415-K417 PolarHBondContact O-N 3.31Å; V415-N418 CarbonylContact O-C 3.59Å; V415-N418 PolarHBondContact O-N 3.15Å; V415-N418 VanDerWaalsContact O-N 3.16Å; V415-M419 HydrophobicContact CG1-CE 3.73Å; V415-M419 WeakPolarHBondContact O-CA 3.46Å; V415-M419 PolarHBondContact O-N 3.12Å; V415-L422 HydrophobicContact CG1-CD2 3.84Å
416	R	97.1	Very high	97.1	Very high	155 Å²	155	48.9 Å²	48.9	59%	0.585	24%	0.241	S	C	*	.	H	α-helix	trans	-57	-44	175.4	-81.4	-174.3	-82.7	123.8	-7.2	112.5	N412 N413 Y414	N412-R416 WeakPolarHBondContact O-CG 3.3Å; N412-R416 PolarHBondContact O-N 3.34Å; N413-R416 VanDerWaalsContact CG-NH2 3.35Å; N413-R416 PolarHBondContact O-N 2.81Å; N413-R416 PolarHBondContact OD1-NH1 3.1Å; N413-R416 VanDerWaalsContact OD1-NH1 3.15Å; N413-R416 PolarHBondContact OD1-NH2 3.09Å; Y414-R416 VanDerWaalsContact C-N 3.34Å; Y414-R416 PolarHBondContact O-N 3.17Å
417	K	97.1	Very high	97.1	Very high	172 Å²	172	49.3 Å²	49.3	75%	0.748	25%	0.249	S	C	*	.	H	α-helix	trans	-70.6	-30	178.1	-69.4	176.7	-178.3	178.6	0	113.2	N413 Y414 V415	N413-K417 WeakPolarHBondContact O-CG 3.27Å; N413-K417 PolarHBondContact O-N 3.02Å; N413-K417 VanDerWaalsContact O-N 3.13Å; Y414-K417 PolarHBondContact O-N 3.17Å; V415-K417 VanDerWaalsContact C-N 3.32Å; V415-K417 PolarHBondContact O-N 3.31Å
418	N	97.3	Very high	97.2	Very high	48 Å²	48	51.3 Å²	51.3	26%	0.257	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	19.2	-176.6	-67.2	-87.8	0	0	0	112.9	M386 Y414 V415 P420 K421 L422	M386-N418 HydrophobicContact CE-CB 4.19Å; Y414-N418 VanDerWaalsContact CD2-ND2 3.28Å; Y414-N418 WeakPolarHBondContact CD2-ND2 3.42Å; Y414-N418 HydrophobicContact CE1-CB 4.3Å; Y414-N418 WeakPolarHBondContact CE2-ND2 3.39Å; Y414-N418 WeakPolarHBondContact O-CB 3.33Å; Y414-N418 PolarHBondContact O-N 2.98Å; Y414-N418 PolarHBondContact O-ND2 3.15Å; V415-N418 CarbonylContact O-C 3.59Å; V415-N418 PolarHBondContact O-N 3.15Å; V415-N418 VanDerWaalsContact O-N 3.16Å; N418-P420 VanDerWaalsContact C-CD 3.46Å; N418-P420 VanDerWaalsContact C-N 3.34Å; N418-K421 WeakPolarHBondContact O-CB 3.34Å; N418-K421 PolarHBondContact O-N 3.48Å; N418-L422 PolarHBondContact O-N 3.42Å; N418-L422 VanDerWaalsContact O-N 3.15Å
419	M	97.1	Very high	97.3	Very high	49 Å²	49	50 Å²	50	24%	0.241	25%	0.251	C	S	.	.	H	α-helix	trans	-55.1	-42.3	-176.8	-170.9	61	70.8	0	0	112.7	V415 K421 L422 Q423	V415-M419 HydrophobicContact CG1-CE 3.73Å; V415-M419 WeakPolarHBondContact O-CA 3.46Å; V415-M419 PolarHBondContact O-N 3.12Å; M419-K421 PolarHBondContact O-N 3.25Å; M419-L422 PolarHBondContact O-N 2.92Å; M419-L422 VanDerWaalsContact O-N 3.13Å; M419-L422 HydrophobicContact SD-CD2 4.16Å; M419-Q423 HydrophobicContact CG-CG 4.08Å; M419-Q423 WeakPolarHBondContact O-CB 3.44Å; M419-Q423 VanDerWaalsContact O-CG 3.24Å; M419-Q423 WeakPolarHBondContact O-CG 3.37Å; M419-Q423 PolarHBondContact O-N 3.3Å; M419-Q423 HydrophobicContact SD-CG 4.18Å
420	P	97.7	Very high	97.2	Very high	91 Å²	91	49.6 Å²	49.6	59%	0.591	25%	0.247	S	C	*	.	H	α-helix	trans	-57.6	-35	176.1	-26.1	36	0	0	0	113.6	N418 A424	N418-P420 VanDerWaalsContact C-CD 3.46Å; N418-P420 VanDerWaalsContact C-N 3.34Å; P420-A424 VanDerWaalsContact O-CB 3.31Å; P420-A424 WeakPolarHBondContact O-CB 3.42Å; P420-A424 PolarHBondContact O-N 3.3Å
421	K	97.5	Very high	96.9	Very high	75 Å²	75	54.9 Å²	54.9	33%	0.326	27%	0.266	S	S	.	.	H	α-helix	trans	-70.7	-43.1	177.5	-170.8	177.2	-173.2	177.3	0	111.4	Y384 R385 M386 N418 M419 A424 A425	Y384-K421 HydrophobicContact CD1-CG 4.2Å; R385-K421 WeakPolarHBondContact O-CE 3.48Å; R385-K421 PolarHBondContact O-NZ 3.01Å; M386-K421 HydrophobicContact SD-CB 4.3Å; M386-K421 HydrophobicContact SD-CD 3.73Å; M386-K421 HydrophobicContact SD-CG 3.9Å; N418-K421 WeakPolarHBondContact O-CB 3.34Å; N418-K421 PolarHBondContact O-N 3.48Å; M419-K421 PolarHBondContact O-N 3.25Å; K421-A424 PolarHBondContact O-N 3.32Å; K421-A425 PolarHBondContact O-N 3.03Å
422	L	97.9	Very high	96.5	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-62.9	-44	175.5	-173.8	66.7	0	0	0	111.2	V135 N138 L139 M386 V415 N418 M419 A424 A425 A426	V135-L422 HydrophobicContact CG1-CD1 4.23Å; N138-L422 HydrophobicContact CB-CD2 3.65Å; L139-L422 HydrophobicContact CB-CD1 4.11Å; L139-L422 HydrophobicContact CD1-CD1 4.12Å; M386-L422 HydrophobicContact CE-CB 3.96Å; M386-L422 HydrophobicContact CE-CD1 4.2Å; V415-L422 HydrophobicContact CG1-CD2 3.84Å; N418-L422 PolarHBondContact O-N 3.42Å; N418-L422 VanDerWaalsContact O-N 3.15Å; M419-L422 PolarHBondContact O-N 2.92Å; M419-L422 VanDerWaalsContact O-N 3.13Å; M419-L422 HydrophobicContact SD-CD2 4.16Å; L422-A424 PolarHBondContact O-N 3.42Å; L422-A425 PolarHBondContact O-N 3.19Å; L422-A426 WeakPolarHBondContact O-CB 3.28Å; L422-A426 PolarHBondContact O-N 3.17Å
423	Q	97.6	Very high	96	Very high	70 Å²	70	58.7 Å²	58.7	33%	0.327	29%	0.29	S	S	.	.	H	α-helix	trans	-64.7	-38.2	177.1	-68.6	-180	-26.2	0	0	112.3	Y142 M419 A426 S427	Y142-Q423 HydrophobicContact CD2-CG 4.02Å; Y142-Q423 HydrophobicContact CE1-CB 4.39Å; Y142-Q423 HydrophobicContact CE1-CG 4.35Å; Y142-Q423 HydrophobicContact CE2-CB 4.32Å; Y142-Q423 HydrophobicContact CE2-CG 3.5Å; Y142-Q423 VanDerWaalsContact CE2-CG 3.5Å; M419-Q423 HydrophobicContact CG-CG 4.08Å; M419-Q423 WeakPolarHBondContact O-CB 3.44Å; M419-Q423 VanDerWaalsContact O-CG 3.24Å; M419-Q423 WeakPolarHBondContact O-CG 3.37Å; M419-Q423 PolarHBondContact O-N 3.3Å; M419-Q423 HydrophobicContact SD-CG 4.18Å; Q423-A426 PolarHBondContact O-N 3.49Å; Q423-S427 VanDerWaalsContact O-CB 3.28Å; Q423-S427 WeakPolarHBondContact O-CB 3.36Å; Q423-S427 PolarHBondContact O-N 2.96Å; Q423-S427 PolarHBondContact O-OG 3.35Å
424	A	97.6	Very high	95.4	Very high	39 Å²	39	58.8 Å²	58.8	32%	0.322	29%	0.293	S	S	.	.	H	α-helix	trans	-63.8	-44.3	173.8	0	0	0	0	0	111.4	Y384 P420 K421 L422 R428	Y384-A424 HydrophobicContact CE1-CB 3.85Å; P420-A424 VanDerWaalsContact O-CB 3.31Å; P420-A424 WeakPolarHBondContact O-CB 3.42Å; P420-A424 PolarHBondContact O-N 3.3Å; K421-A424 PolarHBondContact O-N 3.32Å; L422-A424 PolarHBondContact O-N 3.42Å; A424-R428 VanDerWaalsContact O-CB 3.29Å; A424-R428 WeakPolarHBondContact O-CB 3.41Å; A424-R428 PolarHBondContact O-N 3.05Å
425	A	98	Very high	94.7	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.2	-47.2	174.6	0	0	0	0	0	111.4	Y384 K421 L422 R428 L429	Y384-A425 HydrophobicContact CD1-CB 3.84Å; Y384-A425 HydrophobicContact CD2-CB 3.95Å; Y384-A425 HydrophobicContact CE1-CB 4.23Å; Y384-A425 HydrophobicContact CE2-CB 4.33Å; Y384-A425 HydrophobicContact CG-CB 3.69Å; K421-A425 PolarHBondContact O-N 3.03Å; L422-A425 PolarHBondContact O-N 3.19Å; A425-R428 CarbonylContact O-C 3.53Å; A425-R428 WeakPolarHBondContact O-CB 3.29Å; A425-R428 PolarHBondContact O-N 3.15Å; A425-R428 VanDerWaalsContact O-N 3.15Å; A425-L429 WeakPolarHBondContact O-CG 3.34Å; A425-L429 PolarHBondContact O-N 2.76Å
426	A	97.7	Very high	93.8	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-47.8	177.8	0	0	0	0	0	112.6	L139 Y142 L422 Q423 R428 L429 M430	L139-A426 HydrophobicContact CD1-CB 3.74Å; Y142-A426 HydrophobicContact CD1-CB 3.33Å; Y142-A426 HydrophobicContact CE1-CB 3.74Å; Y142-A426 HydrophobicContact CG-CB 4.31Å; L422-A426 WeakPolarHBondContact O-CB 3.28Å; L422-A426 PolarHBondContact O-N 3.17Å; Q423-A426 PolarHBondContact O-N 3.49Å; A426-R428 PolarHBondContact O-N 3.48Å; A426-L429 WeakPolarHBondContact O-CB 3.19Å; A426-L429 PolarHBondContact O-N 3.06Å; A426-L429 VanDerWaalsContact O-N 3.13Å; A426-M430 WeakPolarHBondContact O-CB 3.43Å; A426-M430 VanDerWaalsContact O-CG 3.29Å; A426-M430 WeakPolarHBondContact O-CG 3.44Å; A426-M430 PolarHBondContact O-N 3.37Å
427	S	96.1	Very high	93	Very high	69 Å²	69	67.2 Å²	67.2	48%	0.483	34%	0.343	S	S	.	.	H	α-helix	trans	-59.5	-36.7	175.3	-59.6	0	0	0	0	111.5	Q423 R431	Q423-S427 VanDerWaalsContact O-CB 3.28Å; Q423-S427 WeakPolarHBondContact O-CB 3.36Å; Q423-S427 PolarHBondContact O-N 2.96Å; Q423-S427 PolarHBondContact O-OG 3.35Å; S427-R431 PolarHBondContact O-N 2.99Å
428	R	95.8	Very high	92.1	Very high	42 Å²	42	64.8 Å²	64.8	16%	0.158	33%	0.332	C	S	.	.	H	α-helix	trans	-69.3	-40.1	176.4	-166.1	67.4	165.9	122.1	3.9	111.9	Q328 C329 S381 S382 Y384 A424 A425 A426 R431	Q328-R428 HydrophobicContact CG-CG 4.45Å; Q328-R428 WeakPolarHBondContact CG-O 3.16Å; Q328-R428 PolarHBondContact NE2-O 3.12Å; Q328-R428 WeakPolarHBondContact O-CG 3.24Å; Q328-R428 PolarHBondContact O-NE 2.78Å; C329-R428 HydrophobicContact CB-CB 4.46Å; C329-R428 HydrophobicContact CB-CG 4.05Å; S381-R428 WeakPolarHBondContact O-CD 3.33Å; S381-R428 PolarHBondContact O-NE 3.45Å; S382-R428 PolarHBondContact OG-NH2 3.42Å; Y384-R428 HydrophobicContact CE2-CB 4.23Å; Y384-R428 HydrophobicContact CE2-CG 4.29Å; A424-R428 VanDerWaalsContact O-CB 3.29Å; A424-R428 WeakPolarHBondContact O-CB 3.41Å; A424-R428 PolarHBondContact O-N 3.05Å; A425-R428 CarbonylContact O-C 3.53Å; A425-R428 WeakPolarHBondContact O-CB 3.29Å; A425-R428 PolarHBondContact O-N 3.15Å; A425-R428 VanDerWaalsContact O-N 3.15Å; A426-R428 PolarHBondContact O-N 3.48Å; R428-R431 PolarHBondContact O-N 2.92Å
429	L	96.7	Very high	91.2	Very high	2 Å²	2	67 Å²	67	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-64.3	-40.7	176.1	-71.7	164.6	0	0	0	112.1	R118 L139 L151 F152 Q328 C329 A425 A426 R431	R118-L429 HydrophobicContact CB-CD2 3.96Å; R118-L429 HydrophobicContact CG-CD2 4.11Å; L139-L429 HydrophobicContact CD1-CD1 4.15Å; L139-L429 HydrophobicContact CD2-CD1 4.13Å; L151-L429 WeakPolarHBondContact O-CD2 3.38Å; F152-L429 HydrophobicContact CD1-CD2 3.73Å; F152-L429 HydrophobicContact CE1-CD1 3.94Å; F152-L429 HydrophobicContact CE1-CD2 3.36Å; F152-L429 HydrophobicContact CE1-CG 4.29Å; F152-L429 HydrophobicContact CE2-CD1 4.26Å; F152-L429 HydrophobicContact CZ-CD1 3.56Å; F152-L429 HydrophobicContact CZ-CD2 3.85Å; F152-L429 HydrophobicContact CZ-CG 4.37Å; Q328-L429 PolarHBondContact NE2-O 3.48Å; C329-L429 HydrophobicContact CB-CD2 3.64Å; C329-L429 HydrophobicContact CB-CG 4.07Å; A425-L429 WeakPolarHBondContact O-CG 3.34Å; A425-L429 PolarHBondContact O-N 2.76Å; A426-L429 WeakPolarHBondContact O-CB 3.19Å; A426-L429 PolarHBondContact O-N 3.06Å; A426-L429 VanDerWaalsContact O-N 3.13Å; L429-R431 VanDerWaalsContact C-N 3.29Å; L429-R431 PolarHBondContact O-N 3.23Å
430	M	94.5	Very high	90.2	Very high	72 Å²	72	70.9 Å²	70.9	36%	0.355	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-4.3	-177.4	-64.8	-53.4	-66.7	0	0	114.3	C143 Y146 L151 A426 P432	C143-M430 HydrophobicContact CB-SD 4.34Å; Y146-M430 HydrophobicContact CD1-CE 4.49Å; Y146-M430 HydrophobicContact CD2-CE 3.54Å; Y146-M430 HydrophobicContact CD2-SD 4.18Å; Y146-M430 HydrophobicContact CE1-CE 4.17Å; Y146-M430 HydrophobicContact CE2-CE 3.16Å; Y146-M430 HydrophobicContact CE2-SD 4.34Å; Y146-M430 HydrophobicContact CG-CE 4.21Å; Y146-M430 HydrophobicContact CG-SD 4.42Å; L151-M430 HydrophobicContact CD2-SD 3.43Å; L151-M430 WeakPolarHBondContact CD2-SD 3.42Å; A426-M430 WeakPolarHBondContact O-CB 3.43Å; A426-M430 VanDerWaalsContact O-CG 3.29Å; A426-M430 WeakPolarHBondContact O-CG 3.44Å; A426-M430 PolarHBondContact O-N 3.37Å; M430-P432 WeakPolarHBondContact O-CD 3.23Å
431	R	92.3	Very high	89	Confident	132 Å²	132	71.3 Å²	71.3	50%	0.498	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-65.7	121.8	-177.7	-172.8	179	-179.9	173.2	1.4	110.8	Q328 S427 R428 L429	Q328-R431 PolarHBondContact NE2-O 3.09Å; S427-R431 PolarHBondContact O-N 2.99Å; R428-R431 PolarHBondContact O-N 2.92Å; L429-R431 VanDerWaalsContact C-N 3.29Å; L429-R431 PolarHBondContact O-N 3.23Å
432	P	88	Confident	87.4	Confident	96 Å²	96	72.9 Å²	72.9	62%	0.623	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-72.7	160.5	179.3	30.4	-35.4	0	0	0	111.9	M430	M430-P432 WeakPolarHBondContact O-CD 3.23Å
433	K	87.4	Confident	85.5	Confident	27 Å²	27	77.5 Å²	77.5	12%	0.117	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-56.9	138.6	166.6	-74.5	-178.9	176.6	172	0	110.9	V112 E113 G114 Q437 K438 E441	V112-K433 WeakPolarHBondContact O-CE 3.36Å; V112-K433 PolarHBondContact O-NZ 3.21Å; E113-K433 WeakPolarHBondContact O-CE 3.37Å; G114-K433 VanDerWaalsContact C-CG 3.41Å; G114-K433 WeakPolarHBondContact O-CE 3.35Å; G114-K433 VanDerWaalsContact O-CG 3.24Å; G114-K433 WeakPolarHBondContact O-CG 3.39Å; K433-Q437 HydrophobicContact CB-CB 4.28Å; K433-K438 HydrophobicContact CB-CG 3.99Å; K433-E441 VanDerWaalsContact CE-OE1 3.25Å; K433-E441 WeakPolarHBondContact CE-OE1 3.41Å; K433-E441 IonicContact NZ-OE1 2.77Å; K433-E441 PolarHBondContact NZ-OE1 3.46Å; K433-E441 IonicContact NZ-OE2 3.5Å; K433-E441 PolarHBondContact NZ-OE2 3.15Å
434	T	84.1	Confident	83.4	Confident	59 Å²	59	79.6 Å²	79.6	36%	0.362	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-69.9	156.7	171.6	67.1	0	0	0	0	110.7	W436 Q437 K438	T434-W436 PolarHBondContact O-N 3.43Å; T434-Q437 WeakPolarHBondContact O-CB 3.32Å; T434-Q437 PolarHBondContact O-N 2.99Å; T434-Q437 WeakPolarHBondContact OG1-CG 3.49Å; T434-Q437 PolarHBondContact OG1-N 3.41Å; T434-Q437 PolarHBondContact OG1-OE1 2.93Å; T434-K438 PolarHBondContact O-N 2.98Å; T434-K438 VanDerWaalsContact O-N 3.09Å
435	S	82.6	Confident	80.8	Confident	102 Å²	102	83.9 Å²	83.9	71%	0.713	43%	0.427	S	S	*	.	H	α-helix	trans	-55.8	-36.7	176.6	-51	0	0	0	0	112.2	K438 L439	S435-K438 PolarHBondContact O-N 2.89Å; S435-L439 WeakPolarHBondContact O-CB 3.48Å; S435-L439 PolarHBondContact O-N 3.31Å
436	W	79	Confident	77.9	Confident	207 Å²	207	91.6 Å²	91.6	78%	0.784	47%	0.469	S	S	*	.	H	α-helix	trans	-63.1	-40.3	174.3	-93.2	105.4	0	0	0	113.4	T434 L439 K440	T434-W436 PolarHBondContact O-N 3.43Å; W436-L439 PolarHBondContact O-N 2.92Å; W436-K440 WeakPolarHBondContact O-CB 3.35Å; W436-K440 PolarHBondContact O-N 3.21Å
437	Q	80.8	Confident	75.1	Confident	59 Å²	59	98.1 Å²	98.1	28%	0.276	50%	0.497	S	S	.	.	H	α-helix	trans	-66.1	-43.9	176.9	-74.3	173.9	-38.6	0	0	111.2	S115 K433 T434 L439 K440 E441	S115-Q437 PolarHBondContact O-NE2 3.36Å; K433-Q437 HydrophobicContact CB-CB 4.28Å; T434-Q437 WeakPolarHBondContact O-CB 3.32Å; T434-Q437 PolarHBondContact O-N 2.99Å; T434-Q437 WeakPolarHBondContact OG1-CG 3.49Å; T434-Q437 PolarHBondContact OG1-N 3.41Å; T434-Q437 PolarHBondContact OG1-OE1 2.93Å; Q437-L439 VanDerWaalsContact C-N 3.31Å; Q437-L439 PolarHBondContact O-N 3.45Å; Q437-K440 PolarHBondContact O-N 2.94Å; Q437-E441 PolarHBondContact O-N 3.25Å
438	K	78.1	Confident	72.3	Confident	120 Å²	120	104.5 Å²	104.5	52%	0.522	52%	0.516	S	S	.	.	H	α-helix	trans	-60	-42.4	174.8	-64.6	-177.7	-179	-176.5	0	111.6	K433 T434 S435 E441 C442	K433-K438 HydrophobicContact CB-CG 3.99Å; T434-K438 PolarHBondContact O-N 2.98Å; T434-K438 VanDerWaalsContact O-N 3.09Å; S435-K438 PolarHBondContact O-N 2.89Å; K438-E441 PolarHBondContact O-N 3.26Å; K438-C442 PolarHBondContact O-N 3.45Å; K438-C442 PolarHBondContact O-SG 3.18Å
439	L	78.7	Confident	69.4	Low	96 Å²	96	111.4 Å²	111.4	50%	0.503	57%	0.571	S	S	.	*	H	α-helix	trans	-67.6	-38.5	-179.8	-163.3	135	0	0	0	112.3	S435 W436 Q437 E441 C442 I443	S435-L439 WeakPolarHBondContact O-CB 3.48Å; S435-L439 PolarHBondContact O-N 3.31Å; W436-L439 PolarHBondContact O-N 2.92Å; Q437-L439 VanDerWaalsContact C-N 3.31Å; Q437-L439 PolarHBondContact O-N 3.45Å; L439-E441 VanDerWaalsContact C-N 3.25Å; L439-E441 PolarHBondContact O-N 3.45Å; L439-C442 PolarHBondContact O-N 3.4Å; L439-I443 HydrophobicContact CD2-CD1 3.99Å; L439-I443 PolarHBondContact O-N 3.32Å
440	K	76.4	Confident	68	Low	129 Å²	129	116.9 Å²	116.9	56%	0.561	60%	0.599	S	S	*	*	H	α-helix	trans	-63.5	-30.2	175.4	-169.4	178.8	178.3	-176.1	0	112.7	W436 Q437 F445	W436-K440 WeakPolarHBondContact O-CB 3.35Å; W436-K440 PolarHBondContact O-N 3.21Å; Q437-K440 PolarHBondContact O-N 2.94Å; K440-F445 HydrophobicContact CG-CE2 4.34Å
441	E	71.2	Confident	66.6	Low	101 Å²	101	119.3 Å²	119.3	47%	0.472	61%	0.612	S	S	.	*	H	α-helix	trans	-74.8	-29.3	175.4	-71.6	173.6	-176.2	0	0	112.9	K433 Q437 K438 L439	K433-E441 VanDerWaalsContact CE-OE1 3.25Å; K433-E441 WeakPolarHBondContact CE-OE1 3.41Å; K433-E441 IonicContact NZ-OE1 2.77Å; K433-E441 PolarHBondContact NZ-OE1 3.46Å; K433-E441 IonicContact NZ-OE2 3.5Å; K433-E441 PolarHBondContact NZ-OE2 3.15Å; Q437-E441 PolarHBondContact O-N 3.25Å; K438-E441 PolarHBondContact O-N 3.26Å; L439-E441 VanDerWaalsContact C-N 3.25Å; L439-E441 PolarHBondContact O-N 3.45Å
442	C	65.4	Low	65.2	Low	108 Å²	108	118.6 Å²	118.6	73%	0.73	62%	0.618	S	S	*	*	H	α-helix	trans	-77.9	-19.5	177.2	-66.6	0	0	0	0	113.9	K438 L439 P444	K438-C442 PolarHBondContact O-N 3.45Å; K438-C442 PolarHBondContact O-SG 3.18Å; L439-C442 PolarHBondContact O-N 3.4Å; C442-P444 VanDerWaalsContact O-CD 3.28Å; C442-P444 WeakPolarHBondContact O-CD 3.47Å
443	I	58.2	Low	63.9	Low	98 Å²	98	119.9 Å²	119.9	50%	0.503	62%	0.618	S	S	.	*	S	Bend	trans	-79.3	112.9	176	-61.6	167.9	0	0	0	106.8	L439 F445	L439-I443 HydrophobicContact CD2-CD1 3.99Å; L439-I443 PolarHBondContact O-N 3.32Å; I443-F445 PolarHBondContact O-N 2.93Å
444	P	51.7	Low	62.4	Low	113 Å²	113	125.7 Å²	125.7	73%	0.734	65%	0.649	S	S	*	*			trans	-58.2	114	175.6	7	-3.7	0	0	0	107.2	C442 N446	C442-P444 VanDerWaalsContact O-CD 3.28Å; C442-P444 WeakPolarHBondContact O-CD 3.47Å; P444-N446 VanDerWaalsContact C-N 3.29Å; P444-N446 PolarHBondContact O-N 3.27Å
445	F	44.7	Very low	60.9	Low	130 Å²	130	130.1 Å²	130.1	57%	0.57	67%	0.668	S	S	*	*			trans	-60.3	96.3	178.1	-105.8	-86.3	0	0	0	108	K440 I443 K447	K440-F445 HydrophobicContact CG-CE2 4.34Å; I443-F445 PolarHBondContact O-N 2.93Å; F445-K447 HydrophobicContact CD1-CD 4.43Å; F445-K447 HydrophobicContact CD1-CG 3.93Å; F445-K447 PolarHBondContact O-N 2.79Å
446	N	36.9	Very low	59.4	Low	162 Å²	162	132.1 Å²	132.1	87%	0.866	67%	0.665	S	S	*	*			trans	-67.8	64.3	161.7	-118.5	-6.7	0	0	0	107.4	P444 K448	P444-N446 VanDerWaalsContact C-N 3.29Å; P444-N446 PolarHBondContact O-N 3.27Å; N446-K448 VanDerWaalsContact C-N 3.31Å; N446-K448 PolarHBondContact O-N 3.03Å
447	K	39.4	Very low	57.9	Low	137 Å²	137	126.4 Å²	126.4	60%	0.596	66%	0.656	S	S	*	*			trans	-72.2	97.3	165.2	-88.8	-173.9	-178.3	176	0	105.5	D324 F445 S449	D324-K447 IonicContact OD2-NZ 2.89Å; D324-K447 PolarHBondContact OD2-NZ 2.91Å; F445-K447 HydrophobicContact CD1-CD 4.43Å; F445-K447 HydrophobicContact CD1-CG 3.93Å; F445-K447 PolarHBondContact O-N 2.79Å; K447-S449 PolarHBondContact O-N 3.26Å
448	K	35.6	Very low	56	Low	202 Å²	202	132 Å²	132	88%	0.878	69%	0.687	S	S	*	*			trans	-45.2	123	163.1	-74.1	-179.1	174.1	-178.6	0	108.1	N446	N446-K448 VanDerWaalsContact C-N 3.31Å; N446-K448 PolarHBondContact O-N 3.03Å
449	S	35.4	Very low	54	Low	188 Å²	188	133.1 Å²	133.1	100%	1.315	70%	0.702	S	S	*	*			trans	-58.4	0	167.2	58.3	0	0	0	0	111.5	K447	K447-S449 PolarHBondContact O-N 3.26Å

Retrieved 449 of 449 residues in 241.1 ms (Link to these results)

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