A0A077ZDW6_TRITR Loading...

DNA-directed RNA polymerase subunit

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession A0A077ZDW6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 644 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	34	Very low	31.2	Very low	244 Å²	244	155.3 Å²	155.3	100%	1.202	81%	0.811	S	S	*	*				0	118.3	0	-65.2	-170.5	-150.8	0	0	106.3
2	G	34.1	Very low	31.9	Very low	81 Å²	81	154.3 Å²	154.3	84%	0.835	81%	0.806	S	S	*	*			trans	-68.8	128.6	-154	0	0	0	0	0	115.1	E4	G2-E4 PolarHBondContact O-N 3.08Å
3	E	29.8	Very low	32.5	Very low	190 Å²	190	154.1 Å²	154.1	89%	0.888	80%	0.795	S	S	*	*			trans	-83.1	94.1	155.1	-75	-175.6	156.1	0	0	107.4	M5	E3-M5 PolarHBondContact O-N 3.31Å
4	E	30.3	Very low	33.4	Very low	172 Å²	172	150.3 Å²	150.3	80%	0.804	79%	0.789	S	S	*	*			trans	-61.7	104.4	161	-79.4	-176	154.9	0	0	107.7	G2 N6	G2-E4 PolarHBondContact O-N 3.08Å; E4-N6 PolarHBondContact O-N 3.28Å
5	M	30	Very low	34.6	Very low	164 Å²	164	150.4 Å²	150.4	81%	0.808	78%	0.78	S	S	*	*			trans	-56.3	92	160.5	-73.9	-167.1	-52.8	0	0	108	E3 N7	E3-M5 PolarHBondContact O-N 3.31Å; M5-N7 PolarHBondContact O-N 3.37Å
6	N	29.7	Very low	36.4	Very low	131 Å²	131	147.3 Å²	147.3	70%	0.701	77%	0.772	S	S	*	*			trans	-62.8	84.4	163.4	-100.6	-39	0	0	0	107.8	E4 T8	E4-N6 PolarHBondContact O-N 3.28Å; N6-T8 PolarHBondContact O-N 3.49Å
7	N	29.5	Very low	38.9	Very low	143 Å²	143	148.6 Å²	148.6	77%	0.765	78%	0.78	S	S	*	*			trans	-62.4	72.7	155.4	-92.8	-26.7	0	0	0	107.2	M5 K9	M5-N7 PolarHBondContact O-N 3.37Å; N7-K9 PolarHBondContact O-N 3.47Å
8	T	30.2	Very low	41.2	Very low	115 Å²	115	148.8 Å²	148.8	71%	0.706	78%	0.777	S	S	*	*			trans	-62.6	90.4	159.7	40.1	0	0	0	0	106.1	N6 L10	N6-T8 PolarHBondContact O-N 3.49Å; T8-L10 PolarHBondContact O-N 3.41Å
9	K	31	Very low	43.5	Very low	187 Å²	187	148.4 Å²	148.4	81%	0.813	77%	0.774	S	S	*	*			trans	-40.5	112.1	157.7	-93.1	175.6	171.9	173.9	0	105.8	N7 E11	N7-K9 PolarHBondContact O-N 3.47Å; K9-E11 HydrophobicContact CB-CG 4.45Å; K9-E11 PolarHBondContact O-N 2.73Å
10	L	33.7	Very low	45.7	Very low	161 Å²	161	145.1 Å²	145.1	84%	0.843	78%	0.778	S	S	*	*			trans	-59.9	81.1	161.3	-90.4	145.8	0	0	0	105.8	T8 L12	T8-L10 PolarHBondContact O-N 3.41Å; L10-L12 PolarHBondContact O-N 2.72Å
11	E	30.7	Very low	47.6	Very low	120 Å²	120	143.2 Å²	143.2	56%	0.561	78%	0.776	S	S	*	*			trans	-63.4	94.5	164.1	-74.3	-170.2	142	0	0	105.4	K9 K13	K9-E11 HydrophobicContact CB-CG 4.45Å; K9-E11 PolarHBondContact O-N 2.73Å; E11-K13 HydrophobicContact CB-CB 4.18Å; E11-K13 HydrophobicContact CB-CD 4.02Å; E11-K13 HydrophobicContact CB-CG 3.91Å; E11-K13 HydrophobicContact CG-CD 4.39Å; E11-K13 PolarHBondContact O-N 2.76Å; E11-K13 WeakPolarHBondContact OE1-CE 3.01Å; E11-K13 IonicContact OE1-NZ 3.73Å; E11-K13 PolarHBondContact OE1-NZ 2.69Å; E11-K13 WeakPolarHBondContact OE2-CD 3.11Å; E11-K13 WeakPolarHBondContact OE2-CE 3.47Å; E11-K13 IonicContact OE2-NZ 2.92Å; E11-K13 PolarHBondContact OE2-NZ 2.64Å
12	L	40	Very low	50	Low	144 Å²	144	137 Å²	137	75%	0.754	75%	0.747	S	S	*	*			trans	-60.2	61.6	156.8	-85.6	145	0	0	0	107.9	L10 S14	L10-L12 PolarHBondContact O-N 2.72Å; L12-S14 VanDerWaalsContact C-N 3.27Å; L12-S14 PolarHBondContact O-N 3.13Å
13	K	39	Very low	52.3	Low	151 Å²	151	136.1 Å²	136.1	66%	0.657	74%	0.738	S	S	*	*			trans	-85	76.5	-176.6	-102.8	-178.9	-174.4	165.9	0	109.1	E11	E11-K13 HydrophobicContact CB-CB 4.18Å; E11-K13 HydrophobicContact CB-CD 4.02Å; E11-K13 HydrophobicContact CB-CG 3.91Å; E11-K13 HydrophobicContact CG-CD 4.39Å; E11-K13 PolarHBondContact O-N 2.76Å; E11-K13 WeakPolarHBondContact OE1-CE 3.01Å; E11-K13 IonicContact OE1-NZ 3.73Å; E11-K13 PolarHBondContact OE1-NZ 2.69Å; E11-K13 WeakPolarHBondContact OE2-CD 3.11Å; E11-K13 WeakPolarHBondContact OE2-CE 3.47Å; E11-K13 IonicContact OE2-NZ 2.92Å; E11-K13 PolarHBondContact OE2-NZ 2.64Å
14	S	45	Very low	54.8	Low	101 Å²	101	136 Å²	136	71%	0.706	74%	0.735	S	S	*	*			trans	170.9	79.3	133.9	45	0	0	0	0	105.9	L12 P16	L12-S14 VanDerWaalsContact C-N 3.27Å; L12-S14 PolarHBondContact O-N 3.13Å; S14-P16 WeakPolarHBondContact O-CD 3.18Å; S14-P16 VanDerWaalsContact O-N 3.14Å
15	F	52.5	Low	57.2	Low	152 Å²	152	133.7 Å²	133.7	67%	0.667	72%	0.724	S	S	*	*			trans	-60.3	116.1	147.6	-89	-84.4	0	0	0	105	N17	F15-N17 PolarHBondContact O-N 3.33Å
16	P	63	Low	59.6	Low	100 Å²	100	130.5 Å²	130.5	65%	0.649	71%	0.708	S	S	*	*			trans	-57.2	142	174	25.6	-32	0	0	0	107	S14 Q18	S14-P16 WeakPolarHBondContact O-CD 3.18Å; S14-P16 VanDerWaalsContact O-N 3.14Å; P16-Q18 WeakPolarHBondContact O-CG 2.98Å; P16-Q18 PolarHBondContact O-N 3.23Å
17	N	78.4	Confident	62.1	Low	170 Å²	170	127.9 Å²	127.9	91%	0.909	69%	0.694	S	S	*	*			trans	-40.4	112.3	173.3	-71.8	-20.6	0	0	0	108.7	F15	F15-N17 PolarHBondContact O-N 3.33Å
18	Q	81.2	Confident	64.6	Low	153 Å²	153	121.6 Å²	121.6	72%	0.715	66%	0.66	S	S	*	*			trans	-80.8	136.5	-178.4	-71.9	-173.5	-11.6	0	0	108.2	P16 G20	P16-Q18 WeakPolarHBondContact O-CG 2.98Å; P16-Q18 PolarHBondContact O-N 3.23Å; Q18-G20 PolarHBondContact O-N 3.18Å; Q18-G20 VanDerWaalsContact O-N 3.12Å
19	L	84.8	Confident	66.9	Low	140 Å²	140	119.5 Å²	119.5	73%	0.733	64%	0.643	S	S	*	*			trans	-68.7	109.5	176.9	-167.7	86.2	0	0	0	108.9	I22	L19-I22 HydrophobicContact CD2-CD1 3.69Å; L19-I22 HydrophobicContact CD2-CG1 3.49Å; L19-I22 VanDerWaalsContact CD2-CG1 3.49Å; L19-I22 HydrophobicContact CG-CG1 4.36Å
20	G	86.7	Confident	69.3	Low	83 Å²	83	114.4 Å²	114.4	86%	0.856	62%	0.622	S	S	*	*			trans	-76.5	-43	179.6	0	0	0	0	0	113.3	Q18	Q18-G20 PolarHBondContact O-N 3.18Å; Q18-G20 VanDerWaalsContact O-N 3.12Å
21	S	85.1	Confident	71.7	Confident	105 Å²	105	108.5 Å²	108.5	73%	0.734	59%	0.591	S	S	*	*			trans	-149.2	166.1	-178.7	65.9	0	0	0	0	112
22	I	84.8	Confident	74.2	Confident	114 Å²	114	103.1 Å²	103.1	59%	0.585	57%	0.567	S	S	*	*			trans	-128	119.9	176.8	-62.7	172	0	0	0	108.5	L19 F24	L19-I22 HydrophobicContact CD2-CD1 3.69Å; L19-I22 HydrophobicContact CD2-CG1 3.49Å; L19-I22 VanDerWaalsContact CD2-CG1 3.49Å; L19-I22 HydrophobicContact CG-CG1 4.36Å; I22-F24 HydrophobicContact CG2-CE2 4.16Å; I22-F24 HydrophobicContact CG2-CZ 4.13Å
23	G	82.1	Confident	76.2	Confident	63 Å²	63	98.7 Å²	98.7	65%	0.649	55%	0.55	S	S	*	*			trans	-91.5	137.2	170	0	0	0	0	0	111.6
24	F	82.9	Confident	78.5	Confident	186 Å²	186	97.9 Å²	97.9	82%	0.816	55%	0.553	S	S	*	*			trans	-103.8	125.3	173.4	-63.9	-89.9	0	0	0	109.7	I22	I22-F24 HydrophobicContact CG2-CE2 4.16Å; I22-F24 HydrophobicContact CG2-CZ 4.13Å
25	H	79.9	Confident	80.5	Confident	125 Å²	125	96.7 Å²	96.7	58%	0.579	54%	0.538	S	S	*	.			trans	-138.5	162.5	177.7	59.3	-85.3	0	0	0	110.9
26	M	80.9	Confident	82.2	Confident	97 Å²	97	90.1 Å²	90.1	48%	0.478	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-88.7	135.1	169	-65.7	-64.8	-161.7	0	0	108.6	T28 V332	M26-T28 PolarHBondContact O-N 3.47Å; M26-V332 HydrophobicContact CB-CB 3.88Å; M26-V332 HydrophobicContact CB-CG1 4.41Å; M26-V332 HydrophobicContact CB-CG2 4Å; M26-V332 HydrophobicContact CG-CG2 4.25Å
27	L	82.7	Confident	83.4	Confident	75 Å²	75	89 Å²	89	39%	0.393	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-72.1	127.4	176.5	-64	172.5	0	0	0	110	D31 V32 I35 L339	L27-D31 HydrophobicContact CB-CB 4.33Å; L27-D31 HydrophobicContact CD2-CB 4Å; L27-V32 HydrophobicContact CB-CG2 4.1Å; L27-I35 HydrophobicContact CD2-CD1 4.03Å; L27-L339 HydrophobicContact CD1-CD1 3.49Å; L27-L339 VanDerWaalsContact CD1-CD1 3.49Å
28	T	82.8	Confident	83.8	Confident	11 Å²	11	84.7 Å²	84.7	7%	0.067	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-78.3	170	172.1	66.7	0	0	0	0	111.2	M26 E30 D31 V32 V320 L327 V332	M26-T28 PolarHBondContact O-N 3.47Å; T28-E30 PolarHBondContact O-N 2.95Å; T28-D31 WeakPolarHBondContact CB-OD2 3.47Å; T28-D31 WeakPolarHBondContact CG2-OD2 3.29Å; T28-D31 PolarHBondContact N-OD2 2.98Å; T28-D31 PolarHBondContact O-N 2.79Å; T28-D31 PolarHBondContact OG1-N 3.07Å; T28-D31 VanDerWaalsContact OG1-N 3.09Å; T28-D31 PolarHBondContact OG1-OD2 3.09Å; T28-V32 WeakPolarHBondContact O-CG2 3.3Å; T28-V32 PolarHBondContact O-N 2.97Å; T28-V320 HydrophobicContact CG2-CG1 3.87Å; T28-L327 HydrophobicContact CG2-CD1 4.3Å; T28-V332 HydrophobicContact CG2-CG1 3.99Å
29	E	78.2	Confident	84.1	Confident	71 Å²	71	81.7 Å²	81.7	33%	0.332	46%	0.458	S	S	.	.	H	α-helix	trans	-59.5	-39	173.6	-167.1	173.8	-178.7	0	0	111.6	V32 A33 R336 N337	E29-V32 PolarHBondContact O-N 3.49Å; E29-A33 WeakPolarHBondContact O-CB 3.21Å; E29-A33 PolarHBondContact O-N 3.39Å; E29-R336 WeakPolarHBondContact OE2-CD 3.48Å; E29-R336 IonicContact OE2-CZ 3.42Å; E29-R336 IonicContact OE2-NE 3.28Å; E29-R336 IonicContact OE2-NH1 3.61Å; E29-R336 PolarHBondContact OE2-NH1 2.87Å; E29-N337 VanDerWaalsContact CG-ND2 3.35Å; E29-N337 WeakPolarHBondContact CG-ND2 3.42Å
30	E	80.1	Confident	84	Confident	81 Å²	81	75.1 Å²	75.1	38%	0.379	42%	0.424	S	S	.	.	H	α-helix	trans	-66.8	-42.2	176.5	-66.6	179.8	-179.3	0	0	111.5	T28 V32 A33 N34 N324 L327	T28-E30 PolarHBondContact O-N 2.95Å; E30-V32 VanDerWaalsContact C-N 3.32Å; E30-V32 PolarHBondContact O-N 3.23Å; E30-A33 PolarHBondContact O-N 3.08Å; E30-N34 WeakPolarHBondContact O-CB 3.47Å; E30-N34 PolarHBondContact O-N 3.49Å; E30-N34 PolarHBondContact O-ND2 3Å; E30-N324 VanDerWaalsContact CD-ND2 3.3Å; E30-N324 PolarHBondContact OE1-ND2 2.93Å; E30-N324 PolarHBondContact OE2-ND2 3.23Å; E30-L327 HydrophobicContact CG-CD1 4.29Å
31	D	84.9	Confident	83.9	Confident	36 Å²	36	75.1 Å²	75.1	19%	0.193	41%	0.407	C	S	.	.	H	α-helix	trans	-61	-44.3	176	-61.5	-43.1	0	0	0	111.2	L27 T28 A33 N34 I35	L27-D31 HydrophobicContact CB-CB 4.33Å; L27-D31 HydrophobicContact CD2-CB 4Å; T28-D31 WeakPolarHBondContact CB-OD2 3.47Å; T28-D31 WeakPolarHBondContact CG2-OD2 3.29Å; T28-D31 PolarHBondContact N-OD2 2.98Å; T28-D31 PolarHBondContact O-N 2.79Å; T28-D31 PolarHBondContact OG1-N 3.07Å; T28-D31 VanDerWaalsContact OG1-N 3.09Å; T28-D31 PolarHBondContact OG1-OD2 3.09Å; D31-A33 VanDerWaalsContact C-N 3.33Å; D31-A33 PolarHBondContact O-N 2.94Å; D31-N34 PolarHBondContact O-N 3.4Å; D31-I35 WeakPolarHBondContact O-CB 3.26Å; D31-I35 WeakPolarHBondContact O-CD1 3.43Å; D31-I35 WeakPolarHBondContact O-CG1 3.48Å; D31-I35 PolarHBondContact O-N 3.29Å
32	V	83	Confident	83.9	Confident	8 Å²	8	71.4 Å²	71.4	5%	0.048	38%	0.381	C	S	.	.	H	α-helix	trans	-63.4	-41.6	177.6	173.5	0	0	0	0	110.8	L27 T28 E29 E30 N34 S36 H87 N337 L339	L27-V32 HydrophobicContact CB-CG2 4.1Å; T28-V32 WeakPolarHBondContact O-CG2 3.3Å; T28-V32 PolarHBondContact O-N 2.97Å; E29-V32 PolarHBondContact O-N 3.49Å; E30-V32 VanDerWaalsContact C-N 3.32Å; E30-V32 PolarHBondContact O-N 3.23Å; V32-N34 VanDerWaalsContact C-N 3.35Å; V32-S36 WeakPolarHBondContact O-CB 3.34Å; V32-S36 PolarHBondContact O-N 3.07Å; V32-H87 HydrophobicContact CG1-CB 3.76Å; V32-N337 HydrophobicContact CB-CB 4.06Å; V32-N337 HydrophobicContact CG1-CB 3.38Å; V32-L339 HydrophobicContact CB-CG 4.36Å; V32-L339 HydrophobicContact CG1-CD2 3.76Å; V32-L339 HydrophobicContact CG1-CG 3.75Å; V32-L339 HydrophobicContact CG2-CD1 4.07Å; V32-L339 HydrophobicContact CG2-CG 4.03Å
33	A	82.6	Confident	83.6	Confident	50 Å²	50	66.3 Å²	66.3	41%	0.413	36%	0.356	S	S	.	.	H	α-helix	trans	-64	-39.4	176.2	0	0	0	0	0	112	E29 E30 D31	E29-A33 WeakPolarHBondContact O-CB 3.21Å; E29-A33 PolarHBondContact O-N 3.39Å; E30-A33 PolarHBondContact O-N 3.08Å; D31-A33 VanDerWaalsContact C-N 3.33Å; D31-A33 PolarHBondContact O-N 2.94Å
34	N	86.1	Confident	83.6	Confident	135 Å²	135	68.5 Å²	68.5	72%	0.722	35%	0.352	S	S	*	.	H	α-helix	trans	-72.1	-34.9	179.3	-70.1	-24.1	0	0	0	113.1	E30 D31 V32	E30-N34 WeakPolarHBondContact O-CB 3.47Å; E30-N34 PolarHBondContact O-N 3.49Å; E30-N34 PolarHBondContact O-ND2 3Å; D31-N34 PolarHBondContact O-N 3.4Å; V32-N34 VanDerWaalsContact C-N 3.35Å
35	I	88.4	Confident	83.5	Confident	76 Å²	76	59.7 Å²	59.7	39%	0.39	31%	0.314	S	S	.	.	H	α-helix	trans	-78	-34.6	178	-66.4	164.1	0	0	0	111.2	L27 D31 F85 L339	L27-I35 HydrophobicContact CD2-CD1 4.03Å; D31-I35 WeakPolarHBondContact O-CB 3.26Å; D31-I35 WeakPolarHBondContact O-CD1 3.43Å; D31-I35 WeakPolarHBondContact O-CG1 3.48Å; D31-I35 PolarHBondContact O-N 3.29Å; I35-F85 HydrophobicContact CG2-CB 4.05Å; I35-F85 HydrophobicContact CG2-CD2 4.16Å; I35-F85 HydrophobicContact CG2-CG 4.19Å; I35-L339 HydrophobicContact CB-CD2 4.45Å; I35-L339 HydrophobicContact CG2-CD2 4.15Å
36	S	88.2	Confident	83.7	Confident	14 Å²	14	56.1 Å²	56.1	10%	0.098	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	132.6	-175.1	-173.6	0	0	0	0	111.7	V32 K38 F85 G86 H87	V32-S36 WeakPolarHBondContact O-CB 3.34Å; V32-S36 PolarHBondContact O-N 3.07Å; S36-K38 PolarHBondContact OG-O 3.28Å; S36-F85 WeakPolarHBondContact CA-O 3.37Å; S36-G86 VanDerWaalsContact OG-CA 3.27Å; S36-G86 WeakPolarHBondContact OG-CA 3.44Å; S36-H87 VanDerWaalsContact CB-ND1 3.32Å; S36-H87 WeakPolarHBondContact CB-ND1 3.47Å; S36-H87 WeakPolarHBondContact OG-CB 3.45Å; S36-H87 PolarHBondContact OG-N 2.72Å; S36-H87 PolarHBondContact OG-ND1 3.39Å
37	I	88.5	Confident	83.9	Confident	77 Å²	77	55 Å²	55	40%	0.395	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-28	178.3	-55.6	-157.3	0	0	0	111.3	T73 H84 F85	I37-T73 HydrophobicContact CD1-CG2 3.3Å; I37-T73 HydrophobicContact CG2-CG2 4.18Å; I37-H84 HydrophobicContact CD1-CB 3.35Å; I37-H84 VanDerWaalsContact CD1-CG 3.46Å; I37-H84 WeakPolarHBondContact CD1-ND1 3.33Å; I37-H84 HydrophobicContact CG1-CB 3.94Å; I37-F85 PolarHBondContact N-O 3.18Å
38	K	86.3	Confident	83.9	Confident	79 Å²	79	61.8 Å²	61.8	34%	0.343	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	142.4	-174.3	-158.5	174.5	-176.3	177.9	0	112	S36 D59 A61 F62 G86 H87	S36-K38 PolarHBondContact OG-O 3.28Å; K38-D59 WeakPolarHBondContact CE-OD2 3.47Å; K38-D59 IonicContact NZ-OD1 3.81Å; K38-D59 IonicContact NZ-OD2 2.86Å; K38-D59 PolarHBondContact NZ-OD2 3.08Å; K38-A61 HydrophobicContact CD-CB 4.39Å; K38-F62 HydrophobicContact CB-CE1 3.73Å; K38-F62 HydrophobicContact CB-CZ 3.88Å; K38-G86 WeakPolarHBondContact O-CA 3.45Å; K38-H87 PolarHBondContact O-N 3.32Å; K38-H87 VanDerWaalsContact O-N 3.1Å
39	E	86.8	Confident	83.9	Confident	90 Å²	90	65.1 Å²	65.1	42%	0.421	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	138	168.4	-173.5	-179.3	177.6	0	0	110.4	T41 H87	E39-T41 HydrophobicContact CG-CG2 4.25Å; E39-H87 WeakPolarHBondContact CA-O 3.44Å
40	I	83.6	Confident	84	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.01	36%	0.357	C	S	.	.			trans	-95.3	110.1	176.5	-55.8	-174.3	0	0	0	109	G55 L57 F62 H87 I88 V340 L368	I40-G55 WeakPolarHBondContact CG2-O 3.37Å; I40-L57 HydrophobicContact CD1-CD2 3.92Å; I40-L57 HydrophobicContact CG2-CD2 4Å; I40-L57 HydrophobicContact CG2-CG 4.29Å; I40-F62 HydrophobicContact CD1-CE2 3.64Å; I40-F62 HydrophobicContact CD1-CZ 3.91Å; I40-F62 HydrophobicContact CG1-CE2 3.68Å; I40-F62 HydrophobicContact CG1-CZ 3.61Å; I40-H87 PolarHBondContact N-O 3.15Å; I40-I88 HydrophobicContact CB-CG1 4.16Å; I40-V340 HydrophobicContact CD1-CB 3.61Å; I40-V340 HydrophobicContact CD1-CG1 3.65Å; I40-V340 HydrophobicContact CD1-CG2 3.71Å; I40-L368 HydrophobicContact CG2-CD2 3.86Å
41	T	84.3	Confident	84.1	Confident	82 Å²	82	64.6 Å²	64.6	50%	0.503	36%	0.355	S	S	.	.			trans	-104	-20.3	-174.4	57.4	0	0	0	0	113.2	E39 G55 Q372	E39-T41 HydrophobicContact CG-CG2 4.25Å; T41-G55 PolarHBondContact N-O 3.02Å; T41-Q372 PolarHBondContact O-NE2 2.94Å
42	S	84.4	Confident	84.1	Confident	27 Å²	27	64.4 Å²	64.4	19%	0.189	36%	0.355	C	S	.	.			trans	-113.3	130.9	-176.7	-178.6	0	0	0	0	113.1	L44 G55 G56 L368	S42-L44 VanDerWaalsContact C-N 3.29Å; S42-L44 PolarHBondContact OG-N 3.33Å; S42-G55 PolarHBondContact N-O 3.31Å; S42-G56 WeakPolarHBondContact O-CA 3.1Å; S42-L368 VanDerWaalsContact O-CD2 3.25Å; S42-L368 WeakPolarHBondContact O-CD2 3.29Å
43	A	79.8	Confident	84.2	Confident	8 Å²	8	65.5 Å²	65.5	7%	0.066	36%	0.362	C	S	.	.	S	Bend	trans	-76.9	-15.3	173	0	0	0	0	0	113.4	S45 K365 L368 E369	A43-S45 PolarHBondContact O-N 2.97Å; A43-K365 HydrophobicContact CB-CG 4.28Å; A43-K365 WeakPolarHBondContact O-CE 3.02Å; A43-K365 WeakPolarHBondContact O-CG 3.41Å; A43-L368 HydrophobicContact CB-CB 4.4Å; A43-L368 HydrophobicContact CB-CD2 4.21Å; A43-L368 HydrophobicContact CB-CG 4.32Å; A43-E369 HydrophobicContact CB-CG 3.56Å
44	L	81.8	Confident	84.3	Confident	108 Å²	108	67.8 Å²	67.8	57%	0.565	37%	0.373	S	S	*	.			trans	-78.1	115.8	176.7	-68.1	171.3	0	0	0	109.6	S42 V53	S42-L44 VanDerWaalsContact C-N 3.29Å; S42-L44 PolarHBondContact OG-N 3.33Å; L44-V53 HydrophobicContact CB-CG2 4.39Å; L44-V53 WeakPolarHBondContact O-CB 3.17Å
45	S	80.5	Confident	84.1	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.007	34%	0.341	C	S	.	.			trans	-71.8	-44.2	177	-61.4	0	0	0	0	112.9	A43 P52 V53 E357	A43-S45 PolarHBondContact O-N 2.97Å; S45-P52 WeakPolarHBondContact O-CA 3.23Å; S45-V53 PolarHBondContact O-N 3.36Å; S45-V53 VanDerWaalsContact O-N 3.15Å; S45-E357 WeakPolarHBondContact CB-OE1 3.38Å; S45-E357 PolarHBondContact OG-OE1 3.31Å
46	F	84.6	Confident	83.9	Confident	51 Å²	51	58 Å²	58	22%	0.224	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-134.7	148.4	-173.7	-58.4	-75.5	0	0	0	110.4	A51 P52 V53 Y58 V348 E357	F46-A51 CarbonylContact C-O 3.59Å; F46-A51 VanDerWaalsContact CA-O 3.23Å; F46-A51 WeakPolarHBondContact CA-O 3.24Å; F46-P52 HydrophobicContact CD1-CG 4.48Å; F46-P52 HydrophobicContact CE1-CB 4.49Å; F46-P52 HydrophobicContact CE1-CG 4.25Å; F46-V53 VanDerWaalsContact C-CG2 3.47Å; F46-Y58 HydrophobicContact CE1-CD2 4.18Å; F46-Y58 HydrophobicContact CE1-CG 4.41Å; F46-Y58 AromaticContact CE2-CD2 3.62Å; F46-Y58 HydrophobicContact CE2-CD2 3.62Å; F46-Y58 AromaticContact CE2-CE2 3.79Å; F46-Y58 HydrophobicContact CE2-CE2 3.79Å; F46-Y58 AromaticContact CZ-CD2 3.36Å; F46-Y58 HydrophobicContact CZ-CD2 3.36Å; F46-Y58 AromaticContact CZ-CE2 3.75Å; F46-Y58 HydrophobicContact CZ-CE2 3.75Å; F46-Y58 AromaticContact CZ-CG 3.9Å; F46-Y58 HydrophobicContact CZ-CG 3.9Å; F46-V348 HydrophobicContact CE2-CG2 4.33Å; F46-V348 HydrophobicContact CZ-CG2 3.69Å; F46-E357 HydrophobicContact CE2-CG 4.43Å
47	D	84.3	Confident	83.8	Confident	73 Å²	73	57.4 Å²	57.4	39%	0.39	32%	0.318	S	S	.	.			trans	-80.8	-175.4	172.5	72.2	2.8	0	0	0	111.7	A49 L50 A51 V53	D47-A49 PolarHBondContact O-N 3.32Å; D47-A49 VanDerWaalsContact OD1-C 3.25Å; D47-A49 VanDerWaalsContact OD1-CA 3.29Å; D47-A49 WeakPolarHBondContact OD1-CA 3.25Å; D47-A49 WeakPolarHBondContact OD1-CB 3.41Å; D47-A49 PolarHBondContact OD1-N 3.42Å; D47-L50 PolarHBondContact O-N 2.91Å; D47-L50 VanDerWaalsContact O-N 3.11Å; D47-L50 PolarHBondContact OD1-N 2.94Å; D47-A51 PolarHBondContact N-O 2.94Å; D47-A51 PolarHBondContact OD1-N 3Å; D47-V53 HydrophobicContact CB-CG2 4.12Å
48	K	83.5	Confident	83.7	Confident	218 Å²	218	53.8 Å²	53.8	95%	0.948	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.9	177.3	-66.1	-177.9	-178.8	176.7	0	113.2	L50	K48-L50 VanDerWaalsContact C-N 3.32Å
49	A	82.6	Confident	83.8	Confident	81 Å²	81	50 Å²	50	67%	0.669	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	5.5	176.9	0	0	0	0	0	112.8	D47 A51	D47-A49 PolarHBondContact O-N 3.32Å; D47-A49 VanDerWaalsContact OD1-C 3.25Å; D47-A49 VanDerWaalsContact OD1-CA 3.29Å; D47-A49 WeakPolarHBondContact OD1-CA 3.25Å; D47-A49 WeakPolarHBondContact OD1-CB 3.41Å; D47-A49 PolarHBondContact OD1-N 3.42Å; A49-A51 PolarHBondContact O-N 3.38Å
50	L	78.7	Confident	83.8	Confident	102 Å²	102	47.3 Å²	47.3	53%	0.534	27%	0.274	S	S	.	.	S	Bend	trans	61.8	23.3	-174.8	-55.4	170.8	0	0	0	113.5	D47 K48	D47-L50 PolarHBondContact O-N 2.91Å; D47-L50 VanDerWaalsContact O-N 3.11Å; D47-L50 PolarHBondContact OD1-N 2.94Å; K48-L50 VanDerWaalsContact C-N 3.32Å
51	A	83.6	Confident	84.1	Confident	39 Å²	39	47.7 Å²	47.7	32%	0.322	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-86.8	144.7	169.3	0	0	0	0	0	110	F46 D47 A49 V53	F46-A51 CarbonylContact C-O 3.59Å; F46-A51 VanDerWaalsContact CA-O 3.23Å; F46-A51 WeakPolarHBondContact CA-O 3.24Å; D47-A51 PolarHBondContact N-O 2.94Å; D47-A51 PolarHBondContact OD1-N 3Å; A49-A51 PolarHBondContact O-N 3.38Å; A51-V53 PolarHBondContact O-N 3.22Å
52	P	84	Confident	84.3	Confident	31 Å²	31	43.9 Å²	43.9	20%	0.201	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-63.5	135.3	177.3	-15.5	28	0	0	0	111.6	S45 F46 Y58	S45-P52 WeakPolarHBondContact O-CA 3.23Å; F46-P52 HydrophobicContact CD1-CG 4.48Å; F46-P52 HydrophobicContact CE1-CB 4.49Å; F46-P52 HydrophobicContact CE1-CG 4.25Å; P52-Y58 WeakPolarHBondContact CB-O 3.19Å
53	V	85.7	Confident	84.5	Confident	31 Å²	31	42.8 Å²	42.8	19%	0.188	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-81.2	130.4	179.5	-179.4	0	0	0	0	109.8	L44 S45 F46 D47 A51 G55 G56	L44-V53 HydrophobicContact CB-CG2 4.39Å; L44-V53 WeakPolarHBondContact O-CB 3.17Å; S45-V53 PolarHBondContact O-N 3.36Å; S45-V53 VanDerWaalsContact O-N 3.15Å; F46-V53 VanDerWaalsContact C-CG2 3.47Å; D47-V53 HydrophobicContact CB-CG2 4.12Å; A51-V53 PolarHBondContact O-N 3.22Å; V53-G55 PolarHBondContact O-N 3.49Å; V53-G56 WeakPolarHBondContact O-CA 3.46Å; V53-G56 PolarHBondContact O-N 3.16Å
54	P	84.9	Confident	84.9	Confident	99 Å²	99	43 Å²	43	64%	0.643	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	135.1	170.4	-24	34.1	0	0	0	111.7	G56	P54-G56 PolarHBondContact O-N 2.84Å
55	G	81.2	Confident	84.9	Confident	6 Å²	6	40 Å²	40	6%	0.062	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	1.5	-171.9	0	0	0	0	0	114.1	I40 T41 S42 V53 D59	I40-G55 WeakPolarHBondContact CG2-O 3.37Å; T41-G55 PolarHBondContact N-O 3.02Å; S42-G55 PolarHBondContact N-O 3.31Å; V53-G55 PolarHBondContact O-N 3.49Å; G55-D59 PolarHBondContact N-OD2 2.8Å
56	G	84.5	Confident	84.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-89.5	176.9	176.8	0	0	0	0	0	113.9	S42 V53 P54 Y58 D59	S42-G56 WeakPolarHBondContact O-CA 3.1Å; V53-G56 WeakPolarHBondContact O-CA 3.46Å; V53-G56 PolarHBondContact O-N 3.16Å; P54-G56 PolarHBondContact O-N 2.84Å; G56-Y58 PolarHBondContact O-N 3.15Å; G56-Y58 VanDerWaalsContact O-N 3.12Å; G56-D59 WeakPolarHBondContact O-CB 3.46Å; G56-D59 PolarHBondContact O-N 3.34Å; G56-D59 VanDerWaalsContact O-N 3.16Å
57	L	85.7	Confident	84.6	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.4	-176	-70	165.6	0	0	0	115.6	I40 V340 R346 T361 F364 K365	I40-L57 HydrophobicContact CD1-CD2 3.92Å; I40-L57 HydrophobicContact CG2-CD2 4Å; I40-L57 HydrophobicContact CG2-CG 4.29Å; L57-V340 HydrophobicContact CD2-CG1 4.06Å; L57-R346 PolarHBondContact O-NH1 3.03Å; L57-R346 PolarHBondContact O-NH2 3.49Å; L57-T361 HydrophobicContact CB-CG2 3.91Å; L57-T361 HydrophobicContact CD1-CG2 3.75Å; L57-T361 HydrophobicContact CG-CG2 4.44Å; L57-F364 HydrophobicContact CD1-CB 4.07Å; L57-F364 HydrophobicContact CD2-CB 3.58Å; L57-F364 HydrophobicContact CD2-CG 4.38Å; L57-K365 HydrophobicContact CD1-CB 3.68Å
58	Y	87.3	Confident	84.3	Confident	1 Å²	1	51 Å²	51	0%	0.004	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	23.3	176	-76.3	-66.6	0	0	0	112.1	F46 P52 G56 T65 P343 R346 V348 T361	F46-Y58 HydrophobicContact CE1-CD2 4.18Å; F46-Y58 HydrophobicContact CE1-CG 4.41Å; F46-Y58 AromaticContact CE2-CD2 3.62Å; F46-Y58 HydrophobicContact CE2-CD2 3.62Å; F46-Y58 AromaticContact CE2-CE2 3.79Å; F46-Y58 HydrophobicContact CE2-CE2 3.79Å; F46-Y58 AromaticContact CZ-CD2 3.36Å; F46-Y58 HydrophobicContact CZ-CD2 3.36Å; F46-Y58 AromaticContact CZ-CE2 3.75Å; F46-Y58 HydrophobicContact CZ-CE2 3.75Å; F46-Y58 AromaticContact CZ-CG 3.9Å; F46-Y58 HydrophobicContact CZ-CG 3.9Å; P52-Y58 WeakPolarHBondContact CB-O 3.19Å; G56-Y58 PolarHBondContact O-N 3.15Å; G56-Y58 VanDerWaalsContact O-N 3.12Å; Y58-T65 HydrophobicContact CD1-CG2 3.46Å; Y58-T65 VanDerWaalsContact CD1-CG2 3.46Å; Y58-T65 HydrophobicContact CE1-CG2 4.23Å; Y58-T65 HydrophobicContact CG-CG2 3.98Å; Y58-P343 HydrophobicContact CD1-CB 3.84Å; Y58-P343 HydrophobicContact CD1-CG 3.92Å; Y58-P343 HydrophobicContact CE1-CB 4.09Å; Y58-R346 VanDerWaalsContact CE1-O 3.23Å; Y58-R346 WeakPolarHBondContact CE1-O 3.36Å; Y58-R346 PolarHBondContact OH-O 2.83Å; Y58-V348 HydrophobicContact CE1-CG2 4.13Å; Y58-V348 HydrophobicContact CE2-CG2 4.19Å; Y58-T361 HydrophobicContact CD2-CG2 4.4Å; Y58-T361 HydrophobicContact CE2-CG2 3.74Å; Y58-T361 PolarHBondContact OH-OG1 2.94Å
59	D	87.8	Confident	84.4	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	28%	0.275	C	S	.	.			trans	-45.7	132.5	176.1	-172.9	-52.6	0	0	0	111	K38 G55 G56 A61 F62	K38-D59 WeakPolarHBondContact CE-OD2 3.47Å; K38-D59 IonicContact NZ-OD1 3.81Å; K38-D59 IonicContact NZ-OD2 2.86Å; K38-D59 PolarHBondContact NZ-OD2 3.08Å; G55-D59 PolarHBondContact N-OD2 2.8Å; G56-D59 WeakPolarHBondContact O-CB 3.46Å; G56-D59 PolarHBondContact O-N 3.34Å; G56-D59 VanDerWaalsContact O-N 3.16Å; D59-A61 PolarHBondContact O-N 3.32Å; D59-A61 VanDerWaalsContact O-N 3.09Å; D59-A61 VanDerWaalsContact OD1-CB 3.25Å; D59-A61 WeakPolarHBondContact OD1-CB 3.38Å; D59-A61 PolarHBondContact OD1-N 3.14Å; D59-F62 HydrophobicContact CB-CD2 3.67Å; D59-F62 HydrophobicContact CB-CE2 3.6Å; D59-F62 HydrophobicContact CB-CZ 4.41Å; D59-F62 PolarHBondContact O-N 3.29Å
60	P	88.1	Confident	84.7	Confident	33 Å²	33	44.7 Å²	44.7	21%	0.214	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-56.1	-22.8	-179.4	-25.7	35	0	0	0	115.3	F62 G63 E72	P60-F62 PolarHBondContact O-N 3.47Å; P60-G63 PolarHBondContact O-N 3.2Å; P60-G63 VanDerWaalsContact O-N 3.14Å; P60-E72 HydrophobicContact CB-CG 3.82Å; P60-E72 WeakPolarHBondContact CB-OE1 3.41Å; P60-E72 PolarHBondContact O-N 3.08Å
61	A	89.1	Confident	85.2	Confident	9 Å²	9	40 Å²	40	7%	0.074	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-61.9	-29.3	172.1	0	0	0	0	0	112.6	K38 D59 G63 T73	K38-A61 HydrophobicContact CD-CB 4.39Å; D59-A61 PolarHBondContact O-N 3.32Å; D59-A61 VanDerWaalsContact O-N 3.09Å; D59-A61 VanDerWaalsContact OD1-CB 3.25Å; D59-A61 WeakPolarHBondContact OD1-CB 3.38Å; D59-A61 PolarHBondContact OD1-N 3.14Å; A61-G63 PolarHBondContact O-N 3.46Å; A61-T73 PolarHBondContact O-OG1 3.04Å
62	F	88.4	Confident	85.6	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.009	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-79	-10.4	178.1	-54.2	-43.9	0	0	0	113.3	K38 I40 D59 P60 H84 P343	K38-F62 HydrophobicContact CB-CE1 3.73Å; K38-F62 HydrophobicContact CB-CZ 3.88Å; I40-F62 HydrophobicContact CD1-CE2 3.64Å; I40-F62 HydrophobicContact CD1-CZ 3.91Å; I40-F62 HydrophobicContact CG1-CE2 3.68Å; I40-F62 HydrophobicContact CG1-CZ 3.61Å; D59-F62 HydrophobicContact CB-CD2 3.67Å; D59-F62 HydrophobicContact CB-CE2 3.6Å; D59-F62 HydrophobicContact CB-CZ 4.41Å; D59-F62 PolarHBondContact O-N 3.29Å; P60-F62 PolarHBondContact O-N 3.47Å; F62-H84 WeakPolarHBondContact CB-O 3.49Å; F62-H84 PolarHBondContact O-N 2.99Å; F62-P343 VanDerWaalsContact CB-CD 3.48Å; F62-P343 HydrophobicContact CB-CG 4.01Å; F62-P343 WeakPolarHBondContact O-CD 3.4Å
63	G	87.6	Confident	85.8	Confident	4 Å²	4	46.1 Å²	46.1	4%	0.041	27%	0.267	C	S	.	.			trans	124.5	160.5	179.1	0	0	0	0	0	113.2	P60 A61	P60-G63 PolarHBondContact O-N 3.2Å; P60-G63 VanDerWaalsContact O-N 3.14Å; A61-G63 PolarHBondContact O-N 3.46Å
64	P	88.2	Confident	86.1	Confident	14 Å²	14	46.8 Å²	46.8	9%	0.091	27%	0.272	C	S	.	.			trans	-71.6	135.3	-173.3	28.4	-35.3	0	0	0	112	N69	P64-N69 HydrophobicContact CB-CB 3.79Å; P64-N69 VanDerWaalsContact CB-O 3.23Å; P64-N69 WeakPolarHBondContact CB-O 3.23Å
65	T	82.1	Confident	86.3	Confident	43 Å²	43	44.4 Å²	44.4	26%	0.264	27%	0.265	S	S	.	.	S	Bend	trans	-88.4	-21.4	177.4	41.8	0	0	0	0	114.1	Y58 P343	Y58-T65 HydrophobicContact CD1-CG2 3.46Å; Y58-T65 VanDerWaalsContact CD1-CG2 3.46Å; Y58-T65 HydrophobicContact CE1-CG2 4.23Å; Y58-T65 HydrophobicContact CG-CG2 3.98Å; T65-P343 HydrophobicContact CG2-CB 4.1Å; T65-P343 HydrophobicContact CG2-CG 4.49Å
66	K	80.8	Confident	86.7	Confident	103 Å²	103	47.8 Å²	47.8	45%	0.448	28%	0.282	S	S	.	.	S	Bend	trans	-117.7	151.6	178.9	-65.7	-178.9	-174.5	172.2	0	110.8	N69	K66-N69 PolarHBondContact O-N 2.99Å
67	Q	78.1	Confident	86.9	Confident	188 Å²	188	51.5 Å²	51.5	88%	0.879	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	135.4	167.2	-77.8	176.2	-12.7	0	0	109.6
68	G	79	Confident	86.9	Confident	67 Å²	67	53.4 Å²	53.4	69%	0.691	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.9	-27.2	-177.3	0	0	0	0	0	114.7
69	N	84.6	Confident	86.8	Confident	82 Å²	82	56.3 Å²	56.3	44%	0.439	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-76	148.4	175.1	-70.3	15.4	0	0	0	111	P64 K66	P64-N69 HydrophobicContact CB-CB 3.79Å; P64-N69 VanDerWaalsContact CB-O 3.23Å; P64-N69 WeakPolarHBondContact CB-O 3.23Å; K66-N69 PolarHBondContact O-N 2.99Å
70	T	90.1	Very high	86.8	Confident	84 Å²	84	62.6 Å²	62.6	52%	0.515	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-98.1	152.2	173.9	49.9	0	0	0	0	110.9	G75 I77	T70-G75 WeakPolarHBondContact CG2-O 3.41Å; T70-I77 HydrophobicContact CG2-CG2 4.04Å
71	C	88.8	Confident	86.8	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.014	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-73	133.7	171.6	-175.2	0	0	0	0	110.3	T73 C74 G75 L76 H84	C71-T73 VanDerWaalsContact C-N 3.27Å; C71-T73 PolarHBondContact O-N 3.36Å; C71-T73 PolarHBondContact SG-N 3.41Å; C71-T73 VanDerWaalsContact SG-N 3.41Å; C71-C74 WeakPolarHBondContact CB-SG 3.43Å; C71-C74 VanDerWaalsContact SG-SG 3.66Å; C71-G75 WeakPolarHBondContact O-CA 3.49Å; C71-G75 PolarHBondContact O-N 3.39Å; C71-L76 PolarHBondContact N-O 3.02Å; C71-H84 PolarHBondContact SG-CD2 2.84Å; C71-H84 PolarHBondContact SG-NE2 2.96Å
72	E	91	Very high	86.9	Confident	138 Å²	138	64.2 Å²	64.2	65%	0.645	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-25	175.3	-73.7	-177.8	-174.6	0	0	112.9	P60	P60-E72 HydrophobicContact CB-CG 3.82Å; P60-E72 WeakPolarHBondContact CB-OE1 3.41Å; P60-E72 PolarHBondContact O-N 3.08Å
73	T	89.8	Confident	86.9	Confident	61 Å²	61	64.7 Å²	64.7	37%	0.374	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-50.7	179.2	-55.9	0	0	0	0	113	I37 A61 C71	I37-T73 HydrophobicContact CD1-CG2 3.3Å; I37-T73 HydrophobicContact CG2-CG2 4.18Å; A61-T73 PolarHBondContact O-OG1 3.04Å; C71-T73 VanDerWaalsContact C-N 3.27Å; C71-T73 PolarHBondContact O-N 3.36Å; C71-T73 PolarHBondContact SG-N 3.41Å; C71-T73 VanDerWaalsContact SG-N 3.41Å
74	C	90.4	Very high	87.1	Confident	46 Å²	46	65.9 Å²	65.9	31%	0.311	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-4.7	-174.6	65.3	0	0	0	0	114.6	C71 L76 H84	C71-C74 WeakPolarHBondContact CB-SG 3.43Å; C71-C74 VanDerWaalsContact SG-SG 3.66Å; C74-L76 HydrophobicContact CB-CG 4.42Å; C74-L76 PolarHBondContact O-N 2.98Å; C74-H84 PolarHBondContact SG-NE2 2.89Å
75	G	90.1	Very high	87.2	Confident	48 Å²	48	68.6 Å²	68.6	50%	0.495	40%	0.398	S	S	.	.			trans	69.8	-8.6	-177.4	0	0	0	0	0	115.2	T70 C71	T70-G75 WeakPolarHBondContact CG2-O 3.41Å; C71-G75 WeakPolarHBondContact O-CA 3.49Å; C71-G75 PolarHBondContact O-N 3.39Å
76	L	89.3	Confident	87.4	Confident	78 Å²	78	66.6 Å²	66.6	41%	0.408	39%	0.386	S	S	.	.			trans	-77.7	149.4	-176.8	-59.9	176.6	0	0	0	112.3	C71 C74 H80 C81	C71-L76 PolarHBondContact N-O 3.02Å; C74-L76 HydrophobicContact CB-CG 4.42Å; C74-L76 PolarHBondContact O-N 2.98Å; L76-H80 HydrophobicContact CB-CB 4.35Å; L76-H80 HydrophobicContact CD1-CB 4.33Å; L76-C81 HydrophobicContact CB-CB 4.12Å
77	I	89.8	Confident	87.8	Confident	77 Å²	77	63.1 Å²	63.1	40%	0.395	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-71.7	163.7	171.1	60.1	168	0	0	0	112	T70 A79 H80 C81	T70-I77 HydrophobicContact CG2-CG2 4.04Å; I77-A79 HydrophobicContact CD1-CB 4.47Å; I77-A79 PolarHBondContact O-N 2.81Å; I77-H80 PolarHBondContact O-N 2.83Å; I77-C81 WeakPolarHBondContact O-CB 3.29Å; I77-C81 PolarHBondContact O-N 3.01Å
78	S	85.3	Confident	87.9	Confident	41 Å²	41	54.3 Å²	54.3	29%	0.287	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-33.4	-176.7	-170.8	0	0	0	0	115.7
79	A	84.9	Confident	87.6	Confident	62 Å²	62	55.6 Å²	55.6	51%	0.512	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-37.3	179.1	0	0	0	0	0	113.3	I77 R344	I77-A79 HydrophobicContact CD1-CB 4.47Å; I77-A79 PolarHBondContact O-N 2.81Å; A79-R344 PolarHBondContact O-NH2 3.1Å
80	H	87.4	Confident	85.9	Confident	133 Å²	133	52.5 Å²	52.5	62%	0.616	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-20.6	-172.2	-61.1	-64	0	0	0	113.3	L76 I77 P82	L76-H80 HydrophobicContact CB-CB 4.35Å; L76-H80 HydrophobicContact CD1-CB 4.33Å; I77-H80 PolarHBondContact O-N 2.83Å; H80-P82 WeakPolarHBondContact O-CD 3.48Å
81	C	88.3	Confident	83.3	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.02	29%	0.291	C	S	.	.			trans	-64.6	122.4	175.7	-179.1	0	0	0	0	110.6	L76 I77 G83 R344	L76-C81 HydrophobicContact CB-CB 4.12Å; I77-C81 WeakPolarHBondContact O-CB 3.29Å; I77-C81 PolarHBondContact O-N 3.01Å; C81-G83 PolarHBondContact O-N 3.21Å; C81-G83 PolarHBondContact SG-N 3.23Å; C81-R344 PolarHBondContact O-NH1 2.75Å
82	P	90.6	Very high	80.8	Confident	73 Å²	73	51.2 Å²	51.2	47%	0.474	29%	0.294	S	S	.	.			trans	-66.6	-23	174.9	27.7	-33.9	0	0	0	112.2	H80	H80-P82 WeakPolarHBondContact O-CD 3.48Å
83	G	88.9	Confident	77.9	Confident	12 Å²	12	45.8 Å²	45.8	12%	0.124	27%	0.269	C	S	.	.			trans	86.3	148.5	-169.2	0	0	0	0	0	111	C81	C81-G83 PolarHBondContact O-N 3.21Å; C81-G83 PolarHBondContact SG-N 3.23Å
84	H	91.5	Very high	75.2	Confident	29 Å²	29	46.6 Å²	46.6	13%	0.134	27%	0.274	C	S	.	.			trans	-122.8	143.1	-175.9	-53.7	-76.3	0	0	0	112	I37 F62 C71 C74 P342	I37-H84 HydrophobicContact CD1-CB 3.35Å; I37-H84 VanDerWaalsContact CD1-CG 3.46Å; I37-H84 WeakPolarHBondContact CD1-ND1 3.33Å; I37-H84 HydrophobicContact CG1-CB 3.94Å; F62-H84 WeakPolarHBondContact CB-O 3.49Å; F62-H84 PolarHBondContact O-N 2.99Å; C71-H84 PolarHBondContact SG-CD2 2.84Å; C71-H84 PolarHBondContact SG-NE2 2.96Å; C74-H84 PolarHBondContact SG-NE2 2.89Å; H84-P342 WeakPolarHBondContact O-CG 3.39Å
85	F	90.3	Very high	72.9	Confident	70 Å²	70	45.9 Å²	45.9	31%	0.307	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	146.1	-177	-74.8	-95.6	0	0	0	111.1	I35 S36 I37 L339 V340 M341 P342	I35-F85 HydrophobicContact CG2-CB 4.05Å; I35-F85 HydrophobicContact CG2-CD2 4.16Å; I35-F85 HydrophobicContact CG2-CG 4.19Å; S36-F85 WeakPolarHBondContact CA-O 3.37Å; I37-F85 PolarHBondContact N-O 3.18Å; F85-L339 HydrophobicContact CB-CD2 4.06Å; F85-L339 HydrophobicContact CD1-CB 4.35Å; F85-L339 HydrophobicContact CD1-CD2 4.42Å; F85-V340 WeakPolarHBondContact CD1-O 3.47Å; F85-M341 HydrophobicContact CE1-CG 4.49Å; F85-P342 HydrophobicContact CD2-CG 4.21Å; F85-P342 HydrophobicContact CE2-CG 4.23Å; F85-P342 HydrophobicContact CG-CG 4.46Å
86	G	86.8	Confident	71.2	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	177	164.4	0	0	0	0	0	110.7	S36 K38 L339 V340	S36-G86 VanDerWaalsContact OG-CA 3.27Å; S36-G86 WeakPolarHBondContact OG-CA 3.44Å; K38-G86 WeakPolarHBondContact O-CA 3.45Å; G86-L339 CarbonylContact O-C 3.53Å; G86-L339 WeakPolarHBondContact O-CA 3.38Å; G86-V340 PolarHBondContact N-O 3.11Å; G86-V340 PolarHBondContact O-N 2.9Å
87	H	88.4	Confident	70.1	Confident	31 Å²	31	41.9 Å²	41.9	14%	0.144	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	158.6	173.3	76.2	-85.7	0	0	0	113.5	V32 S36 K38 E39 I40 N337 V338	V32-H87 HydrophobicContact CG1-CB 3.76Å; S36-H87 VanDerWaalsContact CB-ND1 3.32Å; S36-H87 WeakPolarHBondContact CB-ND1 3.47Å; S36-H87 WeakPolarHBondContact OG-CB 3.45Å; S36-H87 PolarHBondContact OG-N 2.72Å; S36-H87 PolarHBondContact OG-ND1 3.39Å; K38-H87 PolarHBondContact O-N 3.32Å; K38-H87 VanDerWaalsContact O-N 3.1Å; E39-H87 WeakPolarHBondContact CA-O 3.44Å; I40-H87 PolarHBondContact N-O 3.15Å; H87-N337 HydrophobicContact CB-CB 4.39Å; H87-V338 CarbonylContact C-O 3.46Å; H87-V338 WeakPolarHBondContact CA-O 3.17Å
88	I	81	Confident	69.4	Low	3 Å²	3	38.2 Å²	38.2	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.3	174.5	-60.4	169.5	0	0	0	109	I40 L90 N337 V338 V340 F364 L367 L368	I40-I88 HydrophobicContact CB-CG1 4.16Å; I88-L90 HydrophobicContact CG2-CD2 3.83Å; I88-N337 CarbonylContact O-C 3.56Å; I88-N337 VanDerWaalsContact O-CA 3.28Å; I88-N337 WeakPolarHBondContact O-CA 3.49Å; I88-V338 HydrophobicContact CB-CB 4.4Å; I88-V338 PolarHBondContact N-O 2.84Å; I88-V338 PolarHBondContact O-N 3.45Å; I88-V340 HydrophobicContact CD1-CG2 3.65Å; I88-V340 HydrophobicContact CG1-CG2 3.77Å; I88-F364 HydrophobicContact CD1-CD1 4.24Å; I88-L367 HydrophobicContact CD1-CD2 4.4Å; I88-L368 HydrophobicContact CG2-CD1 4.11Å
89	K	72.9	Confident	68.9	Low	93 Å²	93	36.7 Å²	36.7	40%	0.404	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	141.8	179.1	-166.3	173.9	175.9	-173.5	0	113.3	E273 R336 N337	K89-E273 IonicContact NZ-OE2 3.4Å; K89-E273 PolarHBondContact NZ-OE2 2.86Å; K89-R336 CarbonylContact C-O 3.59Å; K89-R336 WeakPolarHBondContact CA-O 3.43Å; K89-N337 VanDerWaalsContact CA-OD1 3.29Å; K89-N337 WeakPolarHBondContact CA-OD1 3.19Å; K89-N337 WeakPolarHBondContact CB-OD1 3.17Å; K89-N337 WeakPolarHBondContact CG-OD1 3.41Å
90	L	47.9	Very low	68.4	Low	17 Å²	17	35.7 Å²	35.7	9%	0.089	20%	0.2	C	C	.	.			trans	-152.6	175.2	-165.7	-44.9	-172.3	0	0	0	110.9	I88 V335 R336 V338 L367 F411 L415	I88-L90 HydrophobicContact CG2-CD2 3.83Å; L90-V335 WeakPolarHBondContact CB-O 3.44Å; L90-V335 HydrophobicContact CD1-CB 4.4Å; L90-V335 HydrophobicContact CD1-CG1 3.85Å; L90-R336 VanDerWaalsContact CA-O 3.27Å; L90-R336 WeakPolarHBondContact CA-O 3.29Å; L90-R336 VanDerWaalsContact CB-O 3.27Å; L90-R336 WeakPolarHBondContact CB-O 3.32Å; L90-R336 PolarHBondContact N-O 3.27Å; L90-R336 VanDerWaalsContact O-CA 3.3Å; L90-R336 WeakPolarHBondContact O-CA 3.5Å; L90-V338 HydrophobicContact CD1-CB 4.35Å; L90-V338 HydrophobicContact CD1-CG2 3.32Å; L90-V338 HydrophobicContact CG-CG2 4.1Å; L90-L367 HydrophobicContact CD2-CD1 4.41Å; L90-L367 HydrophobicContact CD2-CD2 4.26Å; L90-L367 HydrophobicContact CD2-CG 4.41Å; L90-F411 HydrophobicContact CB-CZ 4Å; L90-F411 HydrophobicContact CD1-CZ 4.46Å; L90-F411 HydrophobicContact CD2-CE2 3.6Å; L90-F411 HydrophobicContact CD2-CZ 3.31Å; L90-F411 HydrophobicContact CG-CZ 4.09Å; L90-L415 HydrophobicContact CD1-CD1 3.51Å; L90-L415 HydrophobicContact CD1-CD2 3.74Å; L90-L415 HydrophobicContact CD1-CG 4.22Å
91	S	35.4	Very low	67.9	Low	47 Å²	47	30.6 Å²	30.6	33%	0.329	18%	0.179	S	C	.	.			trans	-146.1	153.2	174.4	73.8	0	0	0	0	112.5
92	T	36.8	Very low	67.4	Low	12 Å²	12	31 Å²	31	7%	0.074	18%	0.18	C	C	.	.			trans	-147.9	175	-156.1	21	0	0	0	0	115.9	P291 F334 V335	T92-P291 VanDerWaalsContact C-CB 3.42Å; T92-P291 CarbonylContact O-C 2.95Å; T92-P291 WeakPolarHBondContact O-CA 3.29Å; T92-P291 WeakPolarHBondContact O-CB 3.42Å; T92-F334 VanDerWaalsContact CB-CA 3.49Å; T92-F334 VanDerWaalsContact CB-CD1 3.49Å; T92-F334 WeakPolarHBondContact O-CD1 3.4Å; T92-F334 WeakPolarHBondContact O-CE1 3.45Å; T92-F334 WeakPolarHBondContact OG1-CA 3.42Å; T92-F334 WeakPolarHBondContact OG1-CB 3.33Å; T92-V335 HydrophobicContact CG2-CB 4.2Å; T92-V335 VanDerWaalsContact CG2-O 3.28Å; T92-V335 WeakPolarHBondContact CG2-O 3.36Å; T92-V335 PolarHBondContact OG1-N 2.96Å; T92-V335 VanDerWaalsContact OG1-N 3.14Å; T92-V335 PolarHBondContact OG1-O 3.22Å; T92-V335 VanDerWaalsContact OG1-O 3.07Å
93	L	31.3	Very low	66.8	Low	25 Å²	25	32 Å²	32	13%	0.131	18%	0.175	C	C	.	.			trans	-147	154.5	-161.5	-139.8	154.6	0	0	0	112	I233 L289 P291 V294 F334	L93-I233 HydrophobicContact CD2-CB 3.6Å; L93-I233 HydrophobicContact CD2-CD1 3.19Å; L93-I233 HydrophobicContact CD2-CG1 3.53Å; L93-I233 HydrophobicContact CD2-CG2 4.05Å; L93-L289 WeakPolarHBondContact CD1-O 3.29Å; L93-P291 HydrophobicContact CB-CB 4.3Å; L93-P291 VanDerWaalsContact CD1-CA 3.47Å; L93-P291 HydrophobicContact CD1-CB 4.25Å; L93-P291 VanDerWaalsContact CD1-CD 3.49Å; L93-P291 HydrophobicContact CD1-CG 3.84Å; L93-P291 VanDerWaalsContact CG-CA 3.43Å; L93-P291 HydrophobicContact CG-CB 4.43Å; L93-V294 HydrophobicContact CB-CB 4.49Å; L93-V294 HydrophobicContact CD1-CG2 4.41Å; L93-V294 HydrophobicContact CD2-CB 3.65Å; L93-V294 HydrophobicContact CD2-CG1 3.9Å; L93-V294 HydrophobicContact CD2-CG2 3.2Å; L93-V294 HydrophobicContact CG-CB 3.71Å; L93-V294 HydrophobicContact CG-CG1 4.35Å; L93-V294 HydrophobicContact CG-CG2 3.54Å; L93-F334 VanDerWaalsContact C-CE1 3.43Å
94	V	32.1	Very low	66.3	Low	78 Å²	78	32 Å²	32	47%	0.473	17%	0.172	S	C	.	.			trans	161	164	137.9	169.7	0	0	0	0	112.8	I233 V294 F298	V94-I233 HydrophobicContact CB-CD1 4.02Å; V94-I233 HydrophobicContact CG1-CD1 4.25Å; V94-I233 HydrophobicContact CG2-CD1 3.51Å; V94-V294 WeakPolarHBondContact O-CG1 3.37Å; V94-F298 WeakPolarHBondContact O-CD1 3.27Å; V94-F298 WeakPolarHBondContact O-CE1 3.32Å; V94-F298 WeakPolarHBondContact O-CE2 3.04Å; V94-F298 WeakPolarHBondContact O-CZ 3.49Å
95	R	42.7	Very low	65.5	Low	31 Å²	31	32 Å²	32	12%	0.117	17%	0.172	C	C	.	.			trans	-115.7	156.4	-149.4	-91.2	175.7	164.3	170.1	-10.3	118.3	W99 V225 R226 I233 L234 V294 F298	R95-W99 HydrophobicContact CG-CH2 4.39Å; R95-W99 HydrophobicContact CG-CZ2 3.35Å; R95-V225 HydrophobicContact CB-CG1 4.12Å; R95-V225 HydrophobicContact CG-CG1 4.17Å; R95-V225 VanDerWaalsContact CZ-CB 3.46Å; R95-V225 VanDerWaalsContact NH1-CB 3.35Å; R95-V225 VanDerWaalsContact NH1-CG1 3.28Å; R95-R226 PolarHBondContact NH1-O 3.28Å; R95-I233 VanDerWaalsContact CD-CG2 3.41Å; R95-I233 HydrophobicContact CG-CG2 4.18Å; R95-I233 VanDerWaalsContact NE-CG2 3.28Å; R95-L234 PolarHBondContact NH1-O 2.79Å; R95-L234 PolarHBondContact NH2-O 3.08Å; R95-V294 HydrophobicContact CG-CG1 4.44Å; R95-F298 VanDerWaalsContact C-CE1 3.47Å; R95-F298 VanDerWaalsContact C-CZ 3.41Å; R95-F298 VanDerWaalsContact CA-CE1 3.42Å
96	G	53.7	Low	64.9	Low	37 Å²	37	29.4 Å²	29.4	38%	0.381	16%	0.161	S	C	.	.			trans	176.7	19.7	169.5	0	0	0	0	0	118.6	L104	G96-L104 VanDerWaalsContact O-CD2 3.31Å; G96-L104 WeakPolarHBondContact O-CD2 3.46Å
97	S	67.4	Low	64.1	Low	5 Å²	5	33.5 Å²	33.5	4%	0.035	18%	0.182	C	C	.	.	S	Bend	trans	-147.9	174.2	-173.7	36.7	0	0	0	0	113.4	W99 R103 H297 M301	S97-W99 PolarHBondContact O-N 3.11Å; S97-W99 PolarHBondContact O-NE1 3.11Å; S97-R103 VanDerWaalsContact CB-O 3.29Å; S97-R103 WeakPolarHBondContact CB-O 3.23Å; S97-H297 PolarHBondContact OG-CE1 3.18Å; S97-H297 PolarHBondContact OG-NE2 3.11Å; S97-M301 WeakPolarHBondContact CB-SD 3.44Å; S97-M301 PolarHBondContact OG-SD 3.32Å
98	C	74.8	Confident	63.1	Low	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.			trans	-63.1	119.2	175.7	176.4	0	0	0	0	110.5	S100 C101 H102 R103 F105 C215 Q222 H297	C98-S100 PolarHBondContact O-N 3.47Å; C98-C101 PolarHBondContact SG-N 2.9Å; C98-C101 PolarHBondContact SG-SG 2.9Å; C98-H102 WeakPolarHBondContact O-CA 3.1Å; C98-H102 PolarHBondContact O-N 2.87Å; C98-R103 WeakPolarHBondContact CB-O 3.35Å; C98-R103 PolarHBondContact N-O 3.08Å; C98-F105 HydrophobicContact CB-CD1 4.41Å; C98-F105 HydrophobicContact CB-CE1 3.79Å; C98-F105 HydrophobicContact CB-CZ 4.4Å; C98-C215 HydrophobicContact CB-CB 4.4Å; C98-C215 VanDerWaalsContact SG-SG 3.66Å; C98-Q222 PolarHBondContact SG-NE2 2.97Å; C98-H297 PolarHBondContact O-CE1 2.99Å; C98-H297 VanDerWaalsContact O-CE1 3.31Å
99	W	74.1	Confident	62.4	Low	8 Å²	8	40.3 Å²	40.3	3%	0.03	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-10.9	-177.7	-77.9	77.2	0	0	0	114.4	R95 S97 M235 I262 L289 V294 H297	R95-W99 HydrophobicContact CG-CH2 4.39Å; R95-W99 HydrophobicContact CG-CZ2 3.35Å; S97-W99 PolarHBondContact O-N 3.11Å; S97-W99 PolarHBondContact O-NE1 3.11Å; W99-M235 HydrophobicContact CB-CE 3.77Å; W99-M235 HydrophobicContact CD2-CE 3.35Å; W99-M235 HydrophobicContact CE3-CE 3.59Å; W99-M235 HydrophobicContact CG-CE 3.37Å; W99-I262 HydrophobicContact CE3-CD1 4.01Å; W99-I262 HydrophobicContact CE3-CG1 4.23Å; W99-I262 HydrophobicContact CZ3-CD1 4.28Å; W99-L289 HydrophobicContact CD2-CD1 4.24Å; W99-L289 HydrophobicContact CE3-CD1 4.05Å; W99-L289 HydrophobicContact CE3-CD2 4.4Å; W99-L289 HydrophobicContact CH2-CD1 3.32Å; W99-L289 HydrophobicContact CZ2-CD1 3.52Å; W99-L289 HydrophobicContact CZ3-CD1 3.57Å; W99-L289 HydrophobicContact CZ3-CD2 4.09Å; W99-L289 HydrophobicContact CZ3-CG 4.48Å; W99-V294 HydrophobicContact CH2-CB 4.02Å; W99-V294 HydrophobicContact CH2-CG1 3.99Å; W99-V294 HydrophobicContact CH2-CG2 3.52Å; W99-V294 HydrophobicContact CZ2-CG1 4.24Å; W99-V294 HydrophobicContact CZ2-CG2 4.27Å; W99-V294 HydrophobicContact CZ3-CG2 4.37Å; W99-H297 AromaticContact CD2-CE1 3.92Å; W99-H297 AromaticContact CD2-NE2 3.96Å; W99-H297 AromaticContact CE2-CD2 3.73Å; W99-H297 AromaticContact CE2-CE1 3.82Å; W99-H297 AromaticContact CE2-NE2 3.38Å; W99-H297 HydrophobicContact CH2-CB 3.86Å; W99-H297 AromaticContact CH2-CD2 3.59Å; W99-H297 AromaticContact CH2-CG 3.77Å; W99-H297 HydrophobicContact CZ2-CB 4.43Å; W99-H297 AromaticContact CZ2-CD2 3.28Å; W99-H297 WeakPolarHBondContact CZ2-CD2 3.42Å; W99-H297 AromaticContact CZ2-CG 3.88Å; W99-H297 AromaticContact CZ2-NE2 3.44Å; W99-H297 WeakPolarHBondContact CZ2-NE2 3.28Å; W99-H297 HydrophobicContact CZ3-CB 4.02Å; W99-H297 AromaticContact NE1-CE1 3.95Å; W99-H297 AromaticContact NE1-NE2 3.5Å; W99-H297 PolarHBondContact NE1-NE2 3.38Å
100	S	74.3	Confident	62.6	Low	41 Å²	41	36.5 Å²	36.5	29%	0.287	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-51.1	176.5	-48.3	0	0	0	0	112.4	C98 A220 C263	C98-S100 PolarHBondContact O-N 3.47Å; S100-A220 WeakPolarHBondContact OG-CB 3.35Å; S100-C263 WeakPolarHBondContact O-CB 3.41Å
101	C	77.1	Confident	64	Low	26 Å²	26	37.7 Å²	37.7	18%	0.176	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	0.9	-176.2	71.8	0	0	0	0	114.2	C98 R103 C215 C218 L304	C98-C101 PolarHBondContact SG-N 2.9Å; C98-C101 PolarHBondContact SG-SG 2.9Å; C101-R103 PolarHBondContact O-N 3.36Å; C101-C215 VanDerWaalsContact SG-SG 3.67Å; C101-C218 HydrophobicContact CB-CB 3.81Å; C101-C218 VanDerWaalsContact SG-SG 3.62Å; C101-L304 VanDerWaalsContact O-CD1 3.32Å; C101-L304 WeakPolarHBondContact O-CD1 3.1Å
102	H	77.5	Confident	66.1	Low	11 Å²	11	38.9 Å²	38.9	5%	0.051	21%	0.206	C	C	.	.			trans	60.2	7.3	179.9	-55.1	-90	0	0	0	115.7	C98 H297 R300 M301 L304	C98-H102 WeakPolarHBondContact O-CA 3.1Å; C98-H102 PolarHBondContact O-N 2.87Å; H102-H297 AromaticContact CE1-ND1 3.71Å; H102-H297 AromaticContact CG-ND1 3.84Å; H102-H297 AromaticContact ND1-CG 3.65Å; H102-H297 AromaticContact ND1-ND1 2.95Å; H102-H297 PolarHBondContact ND1-ND1 3.24Å; H102-R300 HydrophobicContact CB-CB 3.51Å; H102-R300 PolarHBondContact NE2-NH1 2.9Å; H102-M301 WeakPolarHBondContact O-CA 3.36Å; H102-M301 VanDerWaalsContact O-CB 3.28Å; H102-M301 WeakPolarHBondContact O-CB 3.49Å; H102-L304 HydrophobicContact CB-CD1 3.96Å
103	R	77.2	Confident	68.2	Low	96 Å²	96	38.6 Å²	38.6	36%	0.362	20%	0.204	S	C	.	.			trans	-84.9	150.3	176.8	-65.3	174.7	-174	-107.5	5.2	111.7	S97 C98 C101 L304	S97-R103 VanDerWaalsContact CB-O 3.29Å; S97-R103 WeakPolarHBondContact CB-O 3.23Å; C98-R103 WeakPolarHBondContact CB-O 3.35Å; C98-R103 PolarHBondContact N-O 3.08Å; C101-R103 PolarHBondContact O-N 3.36Å; R103-L304 HydrophobicContact CG-CB 3.85Å; R103-L304 HydrophobicContact CG-CD1 4.48Å
104	L	79	Confident	70.7	Confident	11 Å²	11	41 Å²	41	6%	0.058	21%	0.212	C	C	.	.			trans	-58.7	150.6	162	-69.3	171.3	0	0	0	109.3	G96 V106 L208 H217 M301 I309 L310	G96-L104 VanDerWaalsContact O-CD2 3.31Å; G96-L104 WeakPolarHBondContact O-CD2 3.46Å; L104-V106 PolarHBondContact O-N 3.14Å; L104-L208 HydrophobicContact CD1-CD2 4.3Å; L104-L208 HydrophobicContact CD2-CD2 4.16Å; L104-H217 PolarHBondContact O-CD2 3.48Å; L104-H217 VanDerWaalsContact O-CD2 3.32Å; L104-H217 PolarHBondContact O-NE2 3.19Å; L104-M301 HydrophobicContact CD2-CG 4.11Å; L104-M301 HydrophobicContact CD2-SD 3.47Å; L104-M301 WeakPolarHBondContact CD2-SD 3.3Å; L104-M301 HydrophobicContact CG-CG 3.98Å; L104-M301 HydrophobicContact CG-SD 4.03Å; L104-I309 HydrophobicContact CD1-CB 4.27Å; L104-I309 HydrophobicContact CD1-CD1 4.02Å; L104-I309 HydrophobicContact CD1-CG2 4.43Å; L104-L310 HydrophobicContact CD1-CG 4.37Å
105	F	75.3	Confident	73.2	Confident	30 Å²	30	37.9 Å²	37.9	13%	0.132	19%	0.193	C	C	.	.	S	Bend	trans	-68.5	-25	175.2	-64.5	-52.4	0	0	0	112.2	C98 L107 C215 P216 Q222	C98-F105 HydrophobicContact CB-CD1 4.41Å; C98-F105 HydrophobicContact CB-CE1 3.79Å; C98-F105 HydrophobicContact CB-CZ 4.4Å; F105-L107 PolarHBondContact O-N 3.32Å; F105-C215 HydrophobicContact CD1-CB 4.45Å; F105-C215 HydrophobicContact CE1-CB 4.13Å; F105-P216 WeakPolarHBondContact O-CG 3.39Å; F105-Q222 HydrophobicContact CE1-CG 3.66Å; F105-Q222 HydrophobicContact CZ-CB 4.43Å; F105-Q222 HydrophobicContact CZ-CG 3.61Å
106	V	76.3	Confident	75.3	Confident	14 Å²	14	36.6 Å²	36.6	9%	0.085	19%	0.188	C	C	.	.	S	Bend	trans	-73.4	122.8	173.5	-168.2	0	0	0	0	109.8	L104 K108 V113 F203 F207 I309	L104-V106 PolarHBondContact O-N 3.14Å; V106-K108 PolarHBondContact O-N 2.76Å; V106-V113 HydrophobicContact CG1-CG2 3.42Å; V106-V113 VanDerWaalsContact CG1-CG2 3.42Å; V106-F203 HydrophobicContact CG1-CZ 4.37Å; V106-F207 HydrophobicContact CG2-CB 3.57Å; V106-F207 VanDerWaalsContact CG2-O 3.28Å; V106-F207 WeakPolarHBondContact CG2-O 3.41Å; V106-I309 HydrophobicContact CB-CD1 4.28Å; V106-I309 HydrophobicContact CG1-CD1 4.34Å
107	L	71.6	Confident	76.9	Confident	87 Å²	87	36.3 Å²	36.3	46%	0.455	18%	0.179	S	C	.	.			trans	-63.1	130.7	175.6	-73.1	150.9	0	0	0	110	F105 N109 S110 H217	F105-L107 PolarHBondContact O-N 3.32Å; L107-N109 PolarHBondContact O-N 2.91Å; L107-N109 VanDerWaalsContact O-N 3.11Å; L107-S110 VanDerWaalsContact O-CB 3.25Å; L107-S110 WeakPolarHBondContact O-CB 3.37Å; L107-S110 PolarHBondContact O-N 2.92Å; L107-H217 WeakPolarHBondContact CD2-CE1 3.24Å
108	K	66.3	Low	77.8	Confident	61 Å²	61	36.1 Å²	36.1	27%	0.265	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-35.6	-177.7	-174.5	173.9	-175.4	152.8	0	113.9	V106 D307 K308	V106-K108 PolarHBondContact O-N 2.76Å; K108-D307 VanDerWaalsContact NZ-CG 3.29Å; K108-D307 IonicContact NZ-OD1 3.11Å; K108-D307 PolarHBondContact NZ-OD1 2.87Å; K108-D307 IonicContact NZ-OD2 2.72Å; K108-D307 PolarHBondContact NZ-OD2 3.09Å; K108-K308 HydrophobicContact CD-CD 4.22Å; K108-K308 HydrophobicContact CG-CB 4.37Å; K108-K308 HydrophobicContact CG-CD 4.13Å
109	N	66.8	Low	78.4	Confident	116 Å²	116	36.6 Å²	36.6	62%	0.62	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.5	21.3	179.8	-65	-11.4	0	0	0	112.2	L107	L107-N109 PolarHBondContact O-N 2.91Å; L107-N109 VanDerWaalsContact O-N 3.11Å
110	S	76.1	Confident	79	Confident	14 Å²	14	36.4 Å²	36.4	10%	0.098	18%	0.179	C	C	.	.			trans	-63.9	146.9	178.6	94.6	0	0	0	0	110.1	L107 Q112 V113 R114	L107-S110 VanDerWaalsContact O-CB 3.25Å; L107-S110 WeakPolarHBondContact O-CB 3.37Å; L107-S110 PolarHBondContact O-N 2.92Å; S110-Q112 PolarHBondContact O-N 3.39Å; S110-Q112 VanDerWaalsContact O-N 3.12Å; S110-Q112 PolarHBondContact OG-N 3.49Å; S110-Q112 PolarHBondContact OG-OE1 3.1Å; S110-V113 PolarHBondContact O-N 2.95Å; S110-V113 PolarHBondContact OG-N 2.88Å; S110-R114 PolarHBondContact O-N 3.45Å; S110-R114 VanDerWaalsContact O-N 3.16Å
111	Y	77.4	Confident	79.5	Confident	41 Å²	41	37 Å²	37	16%	0.161	18%	0.177	C	C	.	.	H	α-helix	trans	-48.8	-39.2	173.4	171.4	-92.9	0	0	0	111.5	R114 L115 I137 L163 L167	Y111-R114 PolarHBondContact O-N 3.3Å; Y111-L115 HydrophobicContact CE1-CD2 4.45Å; Y111-L115 WeakPolarHBondContact O-CB 3.42Å; Y111-L115 PolarHBondContact O-N 2.93Å; Y111-I137 WeakPolarHBondContact OH-CG2 3.45Å; Y111-L163 HydrophobicContact CE2-CB 4.2Å; Y111-L167 HydrophobicContact CD2-CD2 3.9Å; Y111-L167 HydrophobicContact CE2-CB 4.35Å; Y111-L167 HydrophobicContact CE2-CD2 3.76Å
112	Q	80.7	Confident	79.8	Confident	73 Å²	73	35.7 Å²	35.7	34%	0.341	17%	0.169	S	C	.	.	H	α-helix	trans	-68	-36.7	-179.1	-54.8	84.1	-2.5	0	0	113.5	S110 L116 F207	S110-Q112 PolarHBondContact O-N 3.39Å; S110-Q112 VanDerWaalsContact O-N 3.12Å; S110-Q112 PolarHBondContact OG-N 3.49Å; S110-Q112 PolarHBondContact OG-OE1 3.1Å; Q112-L116 WeakPolarHBondContact O-CB 3.42Å; Q112-L116 PolarHBondContact O-N 2.76Å; Q112-F207 HydrophobicContact CB-CE1 4.34Å; Q112-F207 HydrophobicContact CB-CE2 4.17Å; Q112-F207 HydrophobicContact CB-CZ 4.07Å; Q112-F207 HydrophobicContact CG-CE1 3.79Å; Q112-F207 HydrophobicContact CG-CE2 4.21Å; Q112-F207 HydrophobicContact CG-CZ 3.6Å
113	V	80.7	Confident	80.2	Confident	6 Å²	6	35.3 Å²	35.3	4%	0.036	17%	0.167	C	C	.	.	H	α-helix	trans	-68.1	-44.5	174.5	174.3	0	0	0	0	110	V106 S110 L115 L116 T117 F203 I309	V106-V113 HydrophobicContact CG1-CG2 3.42Å; V106-V113 VanDerWaalsContact CG1-CG2 3.42Å; S110-V113 PolarHBondContact O-N 2.95Å; S110-V113 PolarHBondContact OG-N 2.88Å; V113-L115 VanDerWaalsContact C-N 3.3Å; V113-L115 PolarHBondContact O-N 3.29Å; V113-L116 PolarHBondContact O-N 2.9Å; V113-T117 PolarHBondContact O-N 2.85Å; V113-T117 PolarHBondContact O-OG1 2.8Å; V113-F203 HydrophobicContact CG2-CZ 4.25Å; V113-I309 HydrophobicContact CG1-CG1 3.86Å; V113-I309 HydrophobicContact CG2-CD1 3.81Å; V113-I309 HydrophobicContact CG2-CG1 3.99Å
114	R	83.2	Confident	80.4	Confident	74 Å²	74	35.7 Å²	35.7	28%	0.279	18%	0.176	S	C	.	.	H	α-helix	trans	-61.8	-40	177.1	-67.3	-167.2	-52.9	-131.1	-5	111.8	S110 Y111 T117 A118 E164 L167 Q171	S110-R114 PolarHBondContact O-N 3.45Å; S110-R114 VanDerWaalsContact O-N 3.16Å; Y111-R114 PolarHBondContact O-N 3.3Å; R114-T117 PolarHBondContact O-N 3.07Å; R114-A118 WeakPolarHBondContact O-CB 3.4Å; R114-A118 PolarHBondContact O-N 2.9Å; R114-E164 IonicContact CZ-OE1 3.56Å; R114-E164 IonicContact NH1-OE1 3.6Å; R114-E164 PolarHBondContact NH1-OE1 2.7Å; R114-E164 IonicContact NH2-OE1 2.71Å; R114-E164 PolarHBondContact NH2-OE1 3.34Å; R114-L167 HydrophobicContact CB-CD2 3.78Å; R114-Q171 PolarHBondContact O-NE2 3.19Å
115	L	85.4	Confident	80.4	Confident	14 Å²	14	38.3 Å²	38.3	7%	0.073	19%	0.188	C	C	.	.	H	α-helix	trans	-59.3	-51.4	173.9	-170.6	77.9	0	0	0	111.1	Y111 V113 T117 A118 Q119 I134 L167	Y111-L115 HydrophobicContact CE1-CD2 4.45Å; Y111-L115 WeakPolarHBondContact O-CB 3.42Å; Y111-L115 PolarHBondContact O-N 2.93Å; V113-L115 VanDerWaalsContact C-N 3.3Å; V113-L115 PolarHBondContact O-N 3.29Å; L115-T117 PolarHBondContact O-N 3.35Å; L115-A118 PolarHBondContact O-N 3Å; L115-Q119 VanDerWaalsContact O-CG 3.32Å; L115-Q119 WeakPolarHBondContact O-CG 3.45Å; L115-Q119 PolarHBondContact O-N 3.3Å; L115-I134 HydrophobicContact CD1-CG2 3.36Å; L115-I134 WeakPolarHBondContact CD1-O 3.4Å; L115-I134 HydrophobicContact CG-CG2 4.06Å; L115-L167 HydrophobicContact CD1-CD1 3.88Å
116	L	87.2	Confident	80.6	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-58.1	-47.5	177.6	177.1	71.5	0	0	0	111.5	Q112 V113 A118 Q119 M120 I199 F203 V312 V313	Q112-L116 WeakPolarHBondContact O-CB 3.42Å; Q112-L116 PolarHBondContact O-N 2.76Å; V113-L116 PolarHBondContact O-N 2.9Å; L116-A118 VanDerWaalsContact C-N 3.35Å; L116-A118 PolarHBondContact O-N 2.9Å; L116-Q119 PolarHBondContact O-N 3.37Å; L116-M120 HydrophobicContact CD1-CE 4.05Å; L116-M120 HydrophobicContact CD1-CG 4.23Å; L116-M120 HydrophobicContact CG-CG 4.37Å; L116-M120 WeakPolarHBondContact O-CG 3.37Å; L116-M120 PolarHBondContact O-N 2.88Å; L116-I199 HydrophobicContact CD1-CG2 3.62Å; L116-F203 HydrophobicContact CB-CD2 4.06Å; L116-F203 HydrophobicContact CB-CE2 4.15Å; L116-F203 HydrophobicContact CD1-CB 4.22Å; L116-F203 HydrophobicContact CD1-CD2 4.4Å; L116-F203 HydrophobicContact CD1-CG 4.24Å; L116-F203 HydrophobicContact CD2-CD1 3.7Å; L116-F203 HydrophobicContact CD2-CD2 3.86Å; L116-F203 HydrophobicContact CD2-CE1 3.72Å; L116-F203 HydrophobicContact CD2-CE2 3.88Å; L116-F203 HydrophobicContact CD2-CG 3.77Å; L116-F203 HydrophobicContact CD2-CZ 3.82Å; L116-F203 HydrophobicContact CG-CD2 4.32Å; L116-F203 HydrophobicContact CG-CG 4.44Å; L116-V312 HydrophobicContact CD2-CG1 4.01Å; L116-V312 HydrophobicContact CG-CG1 3.97Å; L116-V313 HydrophobicContact CD2-CG2 3.65Å
117	T	86.6	Confident	80.9	Confident	32 Å²	32	38.8 Å²	38.8	20%	0.196	20%	0.198	C	C	.	.	H	α-helix	trans	-60	-45.7	179.6	-57.2	0	0	0	0	111.1	V113 R114 L115 Q119 M120 E121 V312	V113-T117 PolarHBondContact O-N 2.85Å; V113-T117 PolarHBondContact O-OG1 2.8Å; R114-T117 PolarHBondContact O-N 3.07Å; L115-T117 PolarHBondContact O-N 3.35Å; T117-Q119 VanDerWaalsContact C-N 3.34Å; T117-Q119 PolarHBondContact O-N 2.94Å; T117-M120 PolarHBondContact O-N 2.79Å; T117-E121 HydrophobicContact CG2-CG 4.43Å; T117-E121 WeakPolarHBondContact O-CB 3.31Å; T117-E121 WeakPolarHBondContact O-CG 3.47Å; T117-E121 PolarHBondContact O-N 3.24Å; T117-V312 HydrophobicContact CG2-CG2 4.5Å
118	A	86	Confident	81.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-43.7	177.2	0	0	0	0	0	112	R114 L115 L116 E121 A122 I134 L167 Q171	R114-A118 WeakPolarHBondContact O-CB 3.4Å; R114-A118 PolarHBondContact O-N 2.9Å; L115-A118 PolarHBondContact O-N 3Å; L116-A118 VanDerWaalsContact C-N 3.35Å; L116-A118 PolarHBondContact O-N 2.9Å; A118-E121 PolarHBondContact O-N 3.25Å; A118-A122 WeakPolarHBondContact O-CB 3.42Å; A118-A122 PolarHBondContact O-N 2.85Å; A118-I134 HydrophobicContact CB-CD1 3.91Å; A118-I134 HydrophobicContact CB-CG2 4.27Å; A118-L167 HydrophobicContact CB-CD1 4.1Å; A118-Q171 HydrophobicContact CB-CG 3.42Å; A118-Q171 VanDerWaalsContact CB-CG 3.42Å
119	Q	87.9	Confident	82.4	Confident	10 Å²	10	39 Å²	39	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-43.6	176.3	-71.1	178.3	-40.9	0	0	111.8	L115 L116 T117 A122 L123 A131 I134 S135 I199	L115-Q119 VanDerWaalsContact O-CG 3.32Å; L115-Q119 WeakPolarHBondContact O-CG 3.45Å; L115-Q119 PolarHBondContact O-N 3.3Å; L116-Q119 PolarHBondContact O-N 3.37Å; T117-Q119 VanDerWaalsContact C-N 3.34Å; T117-Q119 PolarHBondContact O-N 2.94Å; Q119-A122 PolarHBondContact O-N 2.78Å; Q119-L123 WeakPolarHBondContact O-CB 3.16Å; Q119-L123 VanDerWaalsContact O-CG 3.24Å; Q119-L123 WeakPolarHBondContact O-CG 3.37Å; Q119-L123 PolarHBondContact O-N 2.86Å; Q119-A131 PolarHBondContact NE2-O 2.81Å; Q119-I134 HydrophobicContact CG-CB 3.87Å; Q119-I134 HydrophobicContact CG-CG2 3.49Å; Q119-I134 VanDerWaalsContact CG-CG2 3.49Å; Q119-S135 VanDerWaalsContact NE2-CA 3.28Å; Q119-S135 VanDerWaalsContact NE2-CB 3.27Å; Q119-I199 HydrophobicContact CB-CD1 4.24Å; Q119-I199 VanDerWaalsContact OE1-CG2 3.27Å
120	M	87	Confident	83.2	Confident	4 Å²	4	33.9 Å²	33.9	2%	0.02	18%	0.181	C	C	.	.	H	α-helix	trans	-67.4	-39.1	178.9	-68.8	-54.6	107.5	0	0	111.9	L116 T117 L123 N124 R196 I199 I200 V312	L116-M120 HydrophobicContact CD1-CE 4.05Å; L116-M120 HydrophobicContact CD1-CG 4.23Å; L116-M120 HydrophobicContact CG-CG 4.37Å; L116-M120 WeakPolarHBondContact O-CG 3.37Å; L116-M120 PolarHBondContact O-N 2.88Å; T117-M120 PolarHBondContact O-N 2.79Å; M120-L123 HydrophobicContact CE-CD1 3.77Å; M120-L123 PolarHBondContact O-N 2.92Å; M120-L123 HydrophobicContact SD-CD1 4.41Å; M120-N124 WeakPolarHBondContact O-CB 3.23Å; M120-N124 PolarHBondContact O-N 2.84Å; M120-N124 PolarHBondContact O-ND2 3.46Å; M120-N124 PolarHBondContact O-OD1 3.03Å; M120-R196 HydrophobicContact CE-CG 4.42Å; M120-R196 HydrophobicContact SD-CG 3.87Å; M120-I199 HydrophobicContact CE-CB 3.88Å; M120-I199 HydrophobicContact CE-CD1 4.15Å; M120-I199 HydrophobicContact CE-CG2 3.51Å; M120-I200 HydrophobicContact SD-CD1 4.34Å; M120-I200 HydrophobicContact SD-CG1 4.26Å; M120-V312 HydrophobicContact CB-CG1 3.92Å; M120-V312 HydrophobicContact CG-CG1 3.56Å
121	E	84.2	Confident	83.7	Confident	53 Å²	53	33.2 Å²	33.2	25%	0.248	18%	0.176	C	C	.	.	H	α-helix	trans	-60.4	-48.7	174.1	-75.9	174.9	-176.5	0	0	111.2	T117 A118 L123 N124 Q125 A174	T117-E121 HydrophobicContact CG2-CG 4.43Å; T117-E121 WeakPolarHBondContact O-CB 3.31Å; T117-E121 WeakPolarHBondContact O-CG 3.47Å; T117-E121 PolarHBondContact O-N 3.24Å; A118-E121 PolarHBondContact O-N 3.25Å; E121-L123 VanDerWaalsContact C-N 3.32Å; E121-L123 PolarHBondContact O-N 2.71Å; E121-N124 PolarHBondContact O-N 2.92Å; E121-Q125 WeakPolarHBondContact O-CG 3.28Å; E121-Q125 PolarHBondContact O-N 3.26Å; E121-A174 HydrophobicContact CB-CB 4.25Å
122	A	84.4	Confident	84.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.1	-41.9	175.7	0	0	0	0	0	112.3	A118 Q119 Q125 G126 N127 L130 A131 I134	A118-A122 WeakPolarHBondContact O-CB 3.42Å; A118-A122 PolarHBondContact O-N 2.85Å; Q119-A122 PolarHBondContact O-N 2.78Å; A122-Q125 PolarHBondContact O-N 2.89Å; A122-G126 PolarHBondContact O-N 3.41Å; A122-N127 PolarHBondContact O-N 3.09Å; A122-L130 HydrophobicContact CB-CB 4.15Å; A122-L130 HydrophobicContact CB-CD2 3.88Å; A122-L130 HydrophobicContact CB-CG 3.93Å; A122-A131 HydrophobicContact CB-CB 4.12Å; A122-I134 HydrophobicContact CB-CD1 4.27Å
123	L	85.4	Confident	84.3	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-69.1	-36.7	177.5	-70.4	176.6	0	0	0	113.1	Q119 M120 E121 Q125 G126 L128 A131 I192 V195 R196 I199	Q119-L123 WeakPolarHBondContact O-CB 3.16Å; Q119-L123 VanDerWaalsContact O-CG 3.24Å; Q119-L123 WeakPolarHBondContact O-CG 3.37Å; Q119-L123 PolarHBondContact O-N 2.86Å; M120-L123 HydrophobicContact CE-CD1 3.77Å; M120-L123 PolarHBondContact O-N 2.92Å; M120-L123 HydrophobicContact SD-CD1 4.41Å; E121-L123 VanDerWaalsContact C-N 3.32Å; E121-L123 PolarHBondContact O-N 2.71Å; L123-Q125 PolarHBondContact O-N 3.22Å; L123-G126 PolarHBondContact O-N 3.44Å; L123-L128 HydrophobicContact CD2-CD1 3.95Å; L123-A131 HydrophobicContact CD1-CB 4.5Å; L123-A131 HydrophobicContact CD2-CB 3.56Å; L123-A131 HydrophobicContact CG-CB 3.69Å; L123-I192 HydrophobicContact CB-CG2 4.28Å; L123-I192 HydrophobicContact CD2-CG2 4.17Å; L123-V195 HydrophobicContact CD2-CG1 4.38Å; L123-R196 HydrophobicContact CD1-CB 3.91Å; L123-R196 HydrophobicContact CD1-CG 4.28Å; L123-I199 HydrophobicContact CD1-CD1 4.08Å
124	N	81.6	Confident	84.4	Confident	104 Å²	104	33.9 Å²	33.9	56%	0.556	18%	0.184	S	C	*	.	H	α-helix	trans	-62.2	-30.5	175.5	-72.2	-16.5	0	0	0	111.4	M120 E121 G126 R196	M120-N124 WeakPolarHBondContact O-CB 3.23Å; M120-N124 PolarHBondContact O-N 2.84Å; M120-N124 PolarHBondContact O-ND2 3.46Å; M120-N124 PolarHBondContact O-OD1 3.03Å; E121-N124 PolarHBondContact O-N 2.92Å; N124-G126 VanDerWaalsContact C-N 3.28Å; N124-R196 PolarHBondContact OD1-NH1 3.32Å
125	Q	79.5	Confident	84.3	Confident	66 Å²	66	32.5 Å²	32.5	31%	0.308	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	1.2	175.7	-65.7	169.4	-1.4	0	0	113.7	E121 A122 L123 N127 A174	E121-Q125 WeakPolarHBondContact O-CG 3.28Å; E121-Q125 PolarHBondContact O-N 3.26Å; A122-Q125 PolarHBondContact O-N 2.89Å; L123-Q125 PolarHBondContact O-N 3.22Å; Q125-N127 VanDerWaalsContact C-N 3.28Å; Q125-N127 PolarHBondContact O-N 3.47Å; Q125-A174 PolarHBondContact NE2-O 2.95Å; Q125-A174 PolarHBondContact OE1-O 3.29Å
126	G	78.9	Confident	84.1	Confident	26 Å²	26	38.4 Å²	38.4	27%	0.268	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	4.6	-177.2	0	0	0	0	0	115	A122 L123 N124 L128	A122-G126 PolarHBondContact O-N 3.41Å; L123-G126 PolarHBondContact O-N 3.44Å; N124-G126 VanDerWaalsContact C-N 3.28Å; G126-L128 PolarHBondContact O-N 3.1Å; G126-L128 VanDerWaalsContact O-N 3.11Å
127	N	82.9	Confident	83.5	Confident	27 Å²	27	39.1 Å²	39.1	14%	0.144	22%	0.215	C	C	.	.			trans	-87	84.7	-176.9	-163.9	-23	0	0	0	111.8	A122 Q125 C129 L130 A131	A122-N127 PolarHBondContact O-N 3.09Å; Q125-N127 VanDerWaalsContact C-N 3.28Å; Q125-N127 PolarHBondContact O-N 3.47Å; N127-C129 PolarHBondContact OD1-N 2.79Å; N127-L130 HydrophobicContact CB-CB 4.14Å; N127-L130 VanDerWaalsContact CG-CB 3.44Å; N127-L130 WeakPolarHBondContact OD1-CB 3.23Å; N127-L130 PolarHBondContact OD1-N 3.17Å; N127-A131 PolarHBondContact O-N 3.15Å
128	L	84.4	Confident	82.5	Confident	53 Å²	53	40 Å²	40	28%	0.277	22%	0.222	S	C	.	.	H	α-helix	trans	-64.7	-39.7	-179.9	-173.8	63.9	0	0	0	112.9	L123 G126 A131 V132 N191 I192 V195	L123-L128 HydrophobicContact CD2-CD1 3.95Å; G126-L128 PolarHBondContact O-N 3.1Å; G126-L128 VanDerWaalsContact O-N 3.11Å; L128-A131 PolarHBondContact O-N 2.8Å; L128-V132 WeakPolarHBondContact O-CG2 3.44Å; L128-V132 PolarHBondContact O-N 3.48Å; L128-V132 VanDerWaalsContact O-N 3.07Å; L128-N191 HydrophobicContact CD2-CB 4.33Å; L128-I192 HydrophobicContact CD1-CG1 4.47Å; L128-V195 HydrophobicContact CD1-CB 3.92Å; L128-V195 HydrophobicContact CD1-CG1 4.08Å; L128-V195 HydrophobicContact CD1-CG2 3.82Å
129	C	84.4	Confident	81	Confident	100 Å²	100	45.8 Å²	45.8	68%	0.676	25%	0.251	S	S	*	.	H	α-helix	trans	-63.4	-46.7	-177.8	-67.5	0	0	0	0	110.9	N127 A131 V132 E133	N127-C129 PolarHBondContact OD1-N 2.79Å; C129-A131 PolarHBondContact O-N 2.91Å; C129-V132 PolarHBondContact O-N 3.44Å; C129-E133 WeakPolarHBondContact O-CB 3.33Å; C129-E133 PolarHBondContact O-N 3.24Å
130	L	84.1	Confident	79.4	Confident	8 Å²	8	48 Å²	48	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-44	177	-178	61.3	0	0	0	111.4	A122 N127 V132 E133 I134 L170 A174	A122-L130 HydrophobicContact CB-CB 4.15Å; A122-L130 HydrophobicContact CB-CD2 3.88Å; A122-L130 HydrophobicContact CB-CG 3.93Å; N127-L130 HydrophobicContact CB-CB 4.14Å; N127-L130 VanDerWaalsContact CG-CB 3.44Å; N127-L130 WeakPolarHBondContact OD1-CB 3.23Å; N127-L130 PolarHBondContact OD1-N 3.17Å; L130-V132 VanDerWaalsContact C-N 3.29Å; L130-V132 PolarHBondContact O-N 2.93Å; L130-E133 PolarHBondContact O-N 3.18Å; L130-I134 HydrophobicContact CD1-CD1 4.31Å; L130-I134 HydrophobicContact CD1-CG1 4.37Å; L130-I134 HydrophobicContact CG-CD1 3.99Å; L130-I134 WeakPolarHBondContact O-CG1 3.09Å; L130-I134 PolarHBondContact O-N 3.13Å; L130-L170 HydrophobicContact CD1-CB 4.29Å; L130-L170 HydrophobicContact CD1-CD1 4.45Å; L130-L170 HydrophobicContact CD1-CD2 3.85Å; L130-L170 HydrophobicContact CD1-CG 4.43Å; L130-A174 HydrophobicContact CD2-CB 4.06Å
131	A	85.6	Confident	77.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-37.6	177.4	0	0	0	0	0	113	Q119 A122 L123 N127 L128 C129 S135	Q119-A131 PolarHBondContact NE2-O 2.81Å; A122-A131 HydrophobicContact CB-CB 4.12Å; L123-A131 HydrophobicContact CD1-CB 4.5Å; L123-A131 HydrophobicContact CD2-CB 3.56Å; L123-A131 HydrophobicContact CG-CB 3.69Å; N127-A131 PolarHBondContact O-N 3.15Å; L128-A131 PolarHBondContact O-N 2.8Å; C129-A131 PolarHBondContact O-N 2.91Å; A131-S135 PolarHBondContact O-N 3.08Å
132	V	85.4	Confident	75.9	Confident	54 Å²	54	51.2 Å²	51.2	33%	0.327	29%	0.292	S	S	.	.	H	α-helix	trans	-72.7	-39.8	175.8	173.7	0	0	0	0	111.3	L128 C129 L130 S135 K136	L128-V132 WeakPolarHBondContact O-CG2 3.44Å; L128-V132 PolarHBondContact O-N 3.48Å; L128-V132 VanDerWaalsContact O-N 3.07Å; C129-V132 PolarHBondContact O-N 3.44Å; L130-V132 VanDerWaalsContact C-N 3.29Å; L130-V132 PolarHBondContact O-N 2.93Å; V132-S135 WeakPolarHBondContact O-CA 3.42Å; V132-S135 VanDerWaalsContact O-CB 3.22Å; V132-S135 WeakPolarHBondContact O-CB 3.43Å; V132-S135 PolarHBondContact O-N 3.41Å; V132-S135 VanDerWaalsContact O-N 3.09Å; V132-K136 PolarHBondContact O-N 2.99Å
133	E	84.7	Confident	73.8	Confident	81 Å²	81	56.2 Å²	56.2	38%	0.379	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-45.5	176	-169.2	-179.8	167.2	0	0	111.2	C129 L130 S135 K136 R166 L170	C129-E133 WeakPolarHBondContact O-CB 3.33Å; C129-E133 PolarHBondContact O-N 3.24Å; L130-E133 PolarHBondContact O-N 3.18Å; E133-S135 PolarHBondContact O-N 2.75Å; E133-K136 WeakPolarHBondContact O-CB 3.46Å; E133-K136 PolarHBondContact O-N 3.33Å; E133-R166 IonicContact OE1-NH2 3.5Å; E133-R166 PolarHBondContact OE1-NH2 2.71Å; E133-R166 VanDerWaalsContact OE1-NH2 3.11Å; E133-L170 HydrophobicContact CG-CD1 4.42Å
134	I	84.2	Confident	71.7	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-55.2	-40.1	173	-65.3	163.6	0	0	0	110.1	L115 A118 Q119 A122 L130 K136 I137 L167 L170	L115-I134 HydrophobicContact CD1-CG2 3.36Å; L115-I134 WeakPolarHBondContact CD1-O 3.4Å; L115-I134 HydrophobicContact CG-CG2 4.06Å; A118-I134 HydrophobicContact CB-CD1 3.91Å; A118-I134 HydrophobicContact CB-CG2 4.27Å; Q119-I134 HydrophobicContact CG-CB 3.87Å; Q119-I134 HydrophobicContact CG-CG2 3.49Å; Q119-I134 VanDerWaalsContact CG-CG2 3.49Å; A122-I134 HydrophobicContact CB-CD1 4.27Å; L130-I134 HydrophobicContact CD1-CD1 4.31Å; L130-I134 HydrophobicContact CD1-CG1 4.37Å; L130-I134 HydrophobicContact CG-CD1 3.99Å; L130-I134 WeakPolarHBondContact O-CG1 3.09Å; L130-I134 PolarHBondContact O-N 3.13Å; I134-K136 VanDerWaalsContact C-N 3.3Å; I134-K136 PolarHBondContact O-N 3.24Å; I134-I137 PolarHBondContact O-N 2.83Å; I134-L167 HydrophobicContact CG2-CD1 4.2Å; I134-L170 HydrophobicContact CB-CD1 4.31Å; I134-L170 HydrophobicContact CD1-CB 4.4Å; I134-L170 HydrophobicContact CG1-CB 3.92Å; I134-L170 HydrophobicContact CG1-CD1 3.49Å; I134-L170 VanDerWaalsContact CG1-CD1 3.49Å; I134-L170 HydrophobicContact CG1-CG 4.35Å
135	S	81.2	Confident	69.7	Low	45 Å²	45	63.6 Å²	63.6	32%	0.315	35%	0.35	S	S	.	.	H	α-helix	trans	-62.9	-32.7	177.4	-163.7	0	0	0	0	113.8	Q119 A131 V132 E133 I137 S138	Q119-S135 VanDerWaalsContact NE2-CA 3.28Å; Q119-S135 VanDerWaalsContact NE2-CB 3.27Å; A131-S135 PolarHBondContact O-N 3.08Å; V132-S135 WeakPolarHBondContact O-CA 3.42Å; V132-S135 VanDerWaalsContact O-CB 3.22Å; V132-S135 WeakPolarHBondContact O-CB 3.43Å; V132-S135 PolarHBondContact O-N 3.41Å; V132-S135 VanDerWaalsContact O-N 3.09Å; E133-S135 PolarHBondContact O-N 2.75Å; S135-I137 VanDerWaalsContact C-N 3.3Å; S135-I137 PolarHBondContact O-N 3.11Å; S135-S138 WeakPolarHBondContact O-CB 3.4Å; S135-S138 PolarHBondContact O-N 3.33Å
136	K	80.7	Confident	67.9	Low	138 Å²	138	66.3 Å²	66.3	60%	0.6	37%	0.37	S	S	*	.	H	α-helix	trans	-69.5	-29.3	-177.5	-69.3	178.7	179.5	-179.8	0	112.2	V132 E133 I134 S138 M139 S140	V132-K136 PolarHBondContact O-N 2.99Å; E133-K136 WeakPolarHBondContact O-CB 3.46Å; E133-K136 PolarHBondContact O-N 3.33Å; I134-K136 VanDerWaalsContact C-N 3.3Å; I134-K136 PolarHBondContact O-N 3.24Å; K136-S138 PolarHBondContact O-N 3.08Å; K136-M139 PolarHBondContact O-N 3.1Å; K136-S140 PolarHBondContact O-N 2.85Å
137	I	74.6	Confident	66.1	Low	17 Å²	17	71.6 Å²	71.6	9%	0.087	39%	0.392	C	S	.	.	H	α-helix	trans	-59.6	-30.7	176.1	-54.1	179.4	0	0	0	111.2	Y111 I134 S135 M139 S140 S141 L163 R166 L170	Y111-I137 WeakPolarHBondContact OH-CG2 3.45Å; I134-I137 PolarHBondContact O-N 2.83Å; S135-I137 VanDerWaalsContact C-N 3.3Å; S135-I137 PolarHBondContact O-N 3.11Å; I137-M139 VanDerWaalsContact C-N 3.33Å; I137-S140 PolarHBondContact O-OG 2.8Å; I137-S141 PolarHBondContact O-OG 2.94Å; I137-L163 HydrophobicContact CG2-CD2 3.51Å; I137-R166 HydrophobicContact CD1-CB 4.48Å; I137-R166 HydrophobicContact CD1-CG 3.8Å; I137-L170 HydrophobicContact CD1-CD1 3.46Å; I137-L170 VanDerWaalsContact CD1-CD1 3.46Å; I137-L170 HydrophobicContact CD1-CG 4.37Å
138	S	65.1	Low	64	Low	51 Å²	51	78.3 Å²	78.3	36%	0.357	42%	0.422	S	S	.	.	H	α-helix	trans	-74.2	-20.8	175.6	-173.8	0	0	0	0	113.8	S135 K136 S141	S135-S138 WeakPolarHBondContact O-CB 3.4Å; S135-S138 PolarHBondContact O-N 3.33Å; K136-S138 PolarHBondContact O-N 3.08Å; S138-S141 PolarHBondContact O-OG 2.94Å
139	M	55.8	Low	61.7	Low	122 Å²	122	84.1 Å²	84.1	60%	0.601	45%	0.454	S	S	*	.	H	α-helix	trans	-87.4	-35.5	-179.2	-68.7	-172.8	66.4	0	0	111.8	K136 I137 S141 V142 D143	K136-M139 PolarHBondContact O-N 3.1Å; I137-M139 VanDerWaalsContact C-N 3.33Å; M139-S141 PolarHBondContact O-N 2.86Å; M139-S141 VanDerWaalsContact O-N 3.11Å; M139-V142 PolarHBondContact O-N 3.15Å; M139-D143 PolarHBondContact O-N 2.94Å
140	S	54.5	Low	59.1	Low	55 Å²	55	82 Å²	82	39%	0.385	45%	0.449	S	S	.	.	H	α-helix	trans	-61.5	-20.1	176.9	50.9	0	0	0	0	113.2	K136 I137 V142	K136-S140 PolarHBondContact O-N 2.85Å; I137-S140 PolarHBondContact O-OG 2.8Å; S140-V142 VanDerWaalsContact C-N 3.35Å
141	S	51.8	Low	56.7	Low	31 Å²	31	87.9 Å²	87.9	22%	0.217	49%	0.49	C	S	.	.	H	α-helix	trans	-75.3	-19.2	174.8	-5	0	0	0	0	114.1	I137 S138 M139	I137-S141 PolarHBondContact O-OG 2.94Å; S138-S141 PolarHBondContact O-OG 2.94Å; M139-S141 PolarHBondContact O-N 2.86Å; M139-S141 VanDerWaalsContact O-N 3.11Å
142	V	45.8	Very low	54.4	Low	94 Å²	94	97.8 Å²	97.8	57%	0.57	53%	0.534	S	S	*	.	H	α-helix	trans	-95.1	-36.7	-177.2	-176.1	0	0	0	0	111.4	M139 S140	M139-V142 PolarHBondContact O-N 3.15Å; S140-V142 VanDerWaalsContact C-N 3.35Å
143	D	39.4	Very low	51.8	Low	106 Å²	106	107.2 Å²	107.2	57%	0.567	56%	0.563	S	S	*	*	H	α-helix	trans	-73.7	-30.2	-176.4	-71.9	-28.4	0	0	0	113.1	M139 V146	M139-D143 PolarHBondContact O-N 2.94Å; D143-V146 PolarHBondContact O-N 2.86Å
144	E	41.7	Very low	49.4	Very low	102 Å²	102	106.9 Å²	106.9	48%	0.477	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-77	-27.7	178.3	-85.4	175.3	162.4	0	0	113.8	V146 L147 E148	E144-V146 PolarHBondContact O-N 3.4Å; E144-V146 VanDerWaalsContact O-N 3.16Å; E144-L147 PolarHBondContact O-N 2.97Å; E144-L147 VanDerWaalsContact O-N 3.08Å; E144-E148 PolarHBondContact O-N 3.26Å
145	Q	39	Very low	47.3	Very low	160 Å²	160	112.2 Å²	112.2	75%	0.748	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-67.1	-14.9	174.7	-72.3	-169.9	-10.4	0	0	113.3
146	V	41.5	Very low	45.2	Very low	123 Å²	123	118.3 Å²	118.3	75%	0.745	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-91.1	-15.2	176	-179.5	0	0	0	0	111.8	D143 E144	D143-V146 PolarHBondContact O-N 2.86Å; E144-V146 PolarHBondContact O-N 3.4Å; E144-V146 VanDerWaalsContact O-N 3.16Å
147	L	42.1	Very low	43.5	Very low	136 Å²	136	117.8 Å²	117.8	71%	0.712	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-12.6	-174.9	-78.9	157.5	0	0	0	114.4	E144 N149	E144-L147 PolarHBondContact O-N 2.97Å; E144-L147 VanDerWaalsContact O-N 3.08Å; L147-N149 PolarHBondContact O-N 3.3Å
148	E	38.7	Very low	42.3	Very low	168 Å²	168	121 Å²	121	79%	0.785	67%	0.669	S	S	*	*			trans	-80.8	66.8	174	-72.5	-169.2	155.6	0	0	112.7	E144	E144-E148 PolarHBondContact O-N 3.26Å
149	N	35.2	Very low	41.6	Very low	176 Å²	176	122.9 Å²	122.9	94%	0.941	68%	0.675	S	S	*	*	S	Bend	trans	-128	25.3	154.7	-98.1	-20	0	0	0	111.3	L147	L147-N149 PolarHBondContact O-N 3.3Å
150	G	30.3	Very low	42	Very low	56 Å²	56	120.5 Å²	120.5	58%	0.577	67%	0.671	S	S	*	*	S	Bend	trans	-164.5	107.6	179	0	0	0	0	0	114.6
151	S	33.1	Very low	42.6	Very low	130 Å²	130	119.2 Å²	119.2	91%	0.909	66%	0.663	S	S	*	*			trans	77.3	115	152.6	-59	0	0	0	0	119.9
152	K	37.6	Very low	43.3	Very low	209 Å²	209	122.9 Å²	122.9	91%	0.909	68%	0.677	S	S	*	*			trans	-56.3	135.5	173.2	-64	174.7	173.1	179.5	0	114.5
153	R	32	Very low	44.4	Very low	252 Å²	252	119.9 Å²	119.9	95%	0.951	66%	0.657	S	S	*	*			trans	-163.5	121.6	141.8	-90.4	174.6	-165	-163.4	2.2	104.3
154	G	33	Very low	46	Very low	74 Å²	74	119.1 Å²	119.1	76%	0.763	65%	0.65	S	S	*	*	S	Bend		117.9	74.5	59.4	0	0	0	0	0	108.8
155	S	40.3	Very low	47.7	Very low	111 Å²	111	121.6 Å²	121.6	78%	0.776	66%	0.656	S	S	*	*			trans	151.6	104.6	158.5	47.6	0	0	0	0	108.2	E157	S155-E157 VanDerWaalsContact C-N 3.27Å; S155-E157 PolarHBondContact O-N 3.23Å
156	D	37.5	Very low	49.5	Very low	174 Å²	174	118.3 Å²	118.3	93%	0.93	64%	0.637	S	S	*	*			trans	-80.3	66.7	-173.1	-66.6	-41.8	0	0	0	111.7
157	E	44	Very low	51.2	Low	127 Å²	127	112.5 Å²	112.5	59%	0.593	60%	0.602	S	S	*	*			trans	-101.2	124.8	152.6	-109.1	-175.7	158.1	0	0	107.7	S155 L159 A161	S155-E157 VanDerWaalsContact C-N 3.27Å; S155-E157 PolarHBondContact O-N 3.23Å; E157-L159 PolarHBondContact O-N 3.02Å; E157-A161 HydrophobicContact CG-CB 4.48Å
158	P	49.3	Very low	53.1	Low	84 Å²	84	111.9 Å²	111.9	55%	0.545	60%	0.595	S	S	.	*			trans	-58.5	131.2	178	24.1	-31.2	0	0	0	108	S160 A161	P158-S160 CarbonylContact O-C 3.55Å; P158-S160 PolarHBondContact O-N 3.25Å; P158-A161 HydrophobicContact CG-CB 4.29Å; P158-A161 WeakPolarHBondContact O-CB 3.38Å; P158-A161 PolarHBondContact O-N 3.02Å
159	L	52.1	Low	55.2	Low	90 Å²	90	107 Å²	107	47%	0.471	57%	0.573	S	S	.	*	H	α-helix	trans	-44.9	-28	-176.3	-157.8	80.7	0	0	0	113.5	E157 L163	E157-L159 PolarHBondContact O-N 3.02Å; L159-L163 VanDerWaalsContact O-CG 3.29Å; L159-L163 WeakPolarHBondContact O-CG 3.37Å; L159-L163 PolarHBondContact O-N 2.97Å
160	S	62.5	Low	57.1	Low	73 Å²	73	98.7 Å²	98.7	51%	0.51	53%	0.528	S	S	.	.	H	α-helix	trans	-59.4	-41.2	172	57.7	0	0	0	0	114.4	P158 L163 E164	P158-S160 CarbonylContact O-C 3.55Å; P158-S160 PolarHBondContact O-N 3.25Å; S160-L163 PolarHBondContact O-N 3.47Å; S160-E164 WeakPolarHBondContact O-CB 3.43Å; S160-E164 VanDerWaalsContact O-CG 3.25Å; S160-E164 WeakPolarHBondContact O-CG 3.34Å; S160-E164 PolarHBondContact O-N 2.75Å
161	A	67.1	Low	59.4	Low	28 Å²	28	97.5 Å²	97.5	23%	0.231	51%	0.507	C	S	.	.	H	α-helix	trans	-67.7	-42.4	-178.2	0	0	0	0	0	111.7	E157 P158 L163 E164 Y165	E157-A161 HydrophobicContact CG-CB 4.48Å; P158-A161 HydrophobicContact CG-CB 4.29Å; P158-A161 WeakPolarHBondContact O-CB 3.38Å; P158-A161 PolarHBondContact O-N 3.02Å; A161-L163 PolarHBondContact O-N 2.99Å; A161-E164 PolarHBondContact O-N 2.86Å; A161-Y165 PolarHBondContact O-N 3.01Å
162	Q	68.2	Low	61.7	Low	107 Å²	107	93.1 Å²	93.1	50%	0.5	48%	0.477	S	S	.	.	H	α-helix	trans	-64	-42.2	177	-170.7	66.1	0.7	0	0	111.9	E164 Y165 R166	Q162-E164 VanDerWaalsContact C-N 3.33Å; Q162-Y165 PolarHBondContact O-N 2.78Å; Q162-R166 PolarHBondContact O-N 3.32Å
163	L	67.9	Low	63.5	Low	31 Å²	31	85.7 Å²	85.7	16%	0.162	45%	0.447	C	S	.	.	H	α-helix	trans	-65.4	-36.3	174.4	-68.2	169.2	0	0	0	111.9	Y111 I137 L159 S160 A161 L167	Y111-L163 HydrophobicContact CE2-CB 4.2Å; I137-L163 HydrophobicContact CG2-CD2 3.51Å; L159-L163 VanDerWaalsContact O-CG 3.29Å; L159-L163 WeakPolarHBondContact O-CG 3.37Å; L159-L163 PolarHBondContact O-N 2.97Å; S160-L163 PolarHBondContact O-N 3.47Å; A161-L163 PolarHBondContact O-N 2.99Å; L163-L167 VanDerWaalsContact O-CB 3.29Å; L163-L167 WeakPolarHBondContact O-CB 3.45Å; L163-L167 PolarHBondContact O-N 2.91Å
164	E	72.9	Confident	65.4	Low	90 Å²	90	73.7 Å²	73.7	42%	0.421	40%	0.401	S	S	.	.	H	α-helix	trans	-67.5	-42.7	175	-77.2	-166.4	153.1	0	0	112.4	R114 S160 A161 Q162 L167 H168	R114-E164 IonicContact CZ-OE1 3.56Å; R114-E164 IonicContact NH1-OE1 3.6Å; R114-E164 PolarHBondContact NH1-OE1 2.7Å; R114-E164 IonicContact NH2-OE1 2.71Å; R114-E164 PolarHBondContact NH2-OE1 3.34Å; S160-E164 WeakPolarHBondContact O-CB 3.43Å; S160-E164 VanDerWaalsContact O-CG 3.25Å; S160-E164 WeakPolarHBondContact O-CG 3.34Å; S160-E164 PolarHBondContact O-N 2.75Å; A161-E164 PolarHBondContact O-N 2.86Å; Q162-E164 VanDerWaalsContact C-N 3.33Å; E164-L167 PolarHBondContact O-N 2.76Å; E164-H168 WeakPolarHBondContact O-CB 3.49Å; E164-H168 PolarHBondContact O-N 2.86Å
165	Y	78.1	Confident	67.4	Low	154 Å²	154	77.1 Å²	77.1	60%	0.604	40%	0.395	S	S	*	.	H	α-helix	trans	-61.9	-49.6	176.2	-178.6	-95.5	0	0	0	111.3	A161 Q162 L167 H168 E169	A161-Y165 PolarHBondContact O-N 3.01Å; Q162-Y165 PolarHBondContact O-N 2.78Å; Y165-L167 VanDerWaalsContact C-N 3.33Å; Y165-L167 PolarHBondContact O-N 2.92Å; Y165-H168 WeakPolarHBondContact O-CB 3.48Å; Y165-H168 PolarHBondContact O-N 2.83Å; Y165-H168 VanDerWaalsContact O-N 3.14Å; Y165-E169 PolarHBondContact O-N 2.93Å
166	R	75.5	Confident	69	Low	91 Å²	91	78.2 Å²	78.2	34%	0.343	39%	0.386	S	S	.	.	H	α-helix	trans	-63.5	-38.7	179.3	-171.2	63.4	-180	165	3.3	112.1	E133 I137 Q162 E169 L170	E133-R166 IonicContact OE1-NH2 3.5Å; E133-R166 PolarHBondContact OE1-NH2 2.71Å; E133-R166 VanDerWaalsContact OE1-NH2 3.11Å; I137-R166 HydrophobicContact CD1-CB 4.48Å; I137-R166 HydrophobicContact CD1-CG 3.8Å; Q162-R166 PolarHBondContact O-N 3.32Å; R166-E169 WeakPolarHBondContact CD-OE2 3.45Å; R166-E169 IonicContact CZ-OE2 3.64Å; R166-E169 IonicContact NE-OE2 3.9Å; R166-E169 IonicContact NH1-OE1 3.1Å; R166-E169 PolarHBondContact NH1-OE1 2.79Å; R166-E169 VanDerWaalsContact NH1-OE1 3.1Å; R166-E169 IonicContact NH1-OE2 2.67Å; R166-E169 PolarHBondContact NH1-OE2 3.39Å; R166-E169 PolarHBondContact O-N 3.49Å; R166-L170 WeakPolarHBondContact O-CG 3.47Å; R166-L170 PolarHBondContact O-N 2.8Å
167	L	78.3	Confident	70.2	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-63.7	-42.8	173.7	179.1	62	0	0	0	111.7	Y111 R114 L115 A118 I134 L163 E164 Y165 E169 L170 Q171	Y111-L167 HydrophobicContact CD2-CD2 3.9Å; Y111-L167 HydrophobicContact CE2-CB 4.35Å; Y111-L167 HydrophobicContact CE2-CD2 3.76Å; R114-L167 HydrophobicContact CB-CD2 3.78Å; L115-L167 HydrophobicContact CD1-CD1 3.88Å; A118-L167 HydrophobicContact CB-CD1 4.1Å; I134-L167 HydrophobicContact CG2-CD1 4.2Å; L163-L167 VanDerWaalsContact O-CB 3.29Å; L163-L167 WeakPolarHBondContact O-CB 3.45Å; L163-L167 PolarHBondContact O-N 2.91Å; E164-L167 PolarHBondContact O-N 2.76Å; Y165-L167 VanDerWaalsContact C-N 3.33Å; Y165-L167 PolarHBondContact O-N 2.92Å; L167-E169 VanDerWaalsContact C-N 3.33Å; L167-L170 PolarHBondContact O-N 3.21Å; L167-Q171 HydrophobicContact CD1-CG 4.43Å; L167-Q171 WeakPolarHBondContact O-CB 3.34Å; L167-Q171 WeakPolarHBondContact O-CG 3.48Å; L167-Q171 PolarHBondContact O-N 3.45Å
168	H	82.7	Confident	70.8	Confident	124 Å²	124	71.2 Å²	71.2	57%	0.574	36%	0.36	S	S	*	.	H	α-helix	trans	-62.3	-41.1	177.3	-177.9	-90.1	0	0	0	111.6	E164 Y165 Q171 S172	E164-H168 WeakPolarHBondContact O-CB 3.49Å; E164-H168 PolarHBondContact O-N 2.86Å; Y165-H168 WeakPolarHBondContact O-CB 3.48Å; Y165-H168 PolarHBondContact O-N 2.83Å; Y165-H168 VanDerWaalsContact O-N 3.14Å; H168-Q171 PolarHBondContact O-N 2.83Å; H168-S172 PolarHBondContact O-N 3.32Å
169	E	81.6	Confident	71.1	Confident	66 Å²	66	72.5 Å²	72.5	31%	0.308	36%	0.362	S	S	.	.	H	α-helix	trans	-58.8	-51.9	173.8	-171.4	-172.6	176.4	0	0	111.3	Y165 R166 L167 Q171 S172 L173	Y165-E169 PolarHBondContact O-N 2.93Å; R166-E169 WeakPolarHBondContact CD-OE2 3.45Å; R166-E169 IonicContact CZ-OE2 3.64Å; R166-E169 IonicContact NE-OE2 3.9Å; R166-E169 IonicContact NH1-OE1 3.1Å; R166-E169 PolarHBondContact NH1-OE1 2.79Å; R166-E169 VanDerWaalsContact NH1-OE1 3.1Å; R166-E169 IonicContact NH1-OE2 2.67Å; R166-E169 PolarHBondContact NH1-OE2 3.39Å; R166-E169 PolarHBondContact O-N 3.49Å; L167-E169 VanDerWaalsContact C-N 3.33Å; E169-Q171 VanDerWaalsContact C-N 3.33Å; E169-Q171 PolarHBondContact O-N 2.77Å; E169-S172 WeakPolarHBondContact O-CB 3.36Å; E169-S172 PolarHBondContact O-N 2.83Å; E169-S172 PolarHBondContact O-OG 3.19Å; E169-L173 PolarHBondContact O-N 3.26Å
170	L	75.4	Confident	71	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-65.5	-34	179.1	-64.8	-170	0	0	0	113	L130 E133 I134 I137 R166 L167 S172 L173 A174	L130-L170 HydrophobicContact CD1-CB 4.29Å; L130-L170 HydrophobicContact CD1-CD1 4.45Å; L130-L170 HydrophobicContact CD1-CD2 3.85Å; L130-L170 HydrophobicContact CD1-CG 4.43Å; E133-L170 HydrophobicContact CG-CD1 4.42Å; I134-L170 HydrophobicContact CB-CD1 4.31Å; I134-L170 HydrophobicContact CD1-CB 4.4Å; I134-L170 HydrophobicContact CG1-CB 3.92Å; I134-L170 HydrophobicContact CG1-CD1 3.49Å; I134-L170 VanDerWaalsContact CG1-CD1 3.49Å; I134-L170 HydrophobicContact CG1-CG 4.35Å; I137-L170 HydrophobicContact CD1-CD1 3.46Å; I137-L170 VanDerWaalsContact CD1-CD1 3.46Å; I137-L170 HydrophobicContact CD1-CG 4.37Å; R166-L170 WeakPolarHBondContact O-CG 3.47Å; R166-L170 PolarHBondContact O-N 2.8Å; L167-L170 PolarHBondContact O-N 3.21Å; L170-S172 VanDerWaalsContact C-N 3.32Å; L170-L173 HydrophobicContact CD2-CD1 3.96Å; L170-L173 PolarHBondContact O-N 3.03Å; L170-A174 PolarHBondContact O-N 2.59Å
171	Q	78.3	Confident	70.4	Confident	30 Å²	30	71.7 Å²	71.7	14%	0.14	37%	0.367	C	S	.	.	H	α-helix	trans	-63	-39.4	171	-80.5	-179.3	-16.6	0	0	111.8	R114 A118 L167 H168 E169 L173 A174 K175	R114-Q171 PolarHBondContact O-NE2 3.19Å; A118-Q171 HydrophobicContact CB-CG 3.42Å; A118-Q171 VanDerWaalsContact CB-CG 3.42Å; L167-Q171 HydrophobicContact CD1-CG 4.43Å; L167-Q171 WeakPolarHBondContact O-CB 3.34Å; L167-Q171 WeakPolarHBondContact O-CG 3.48Å; L167-Q171 PolarHBondContact O-N 3.45Å; H168-Q171 PolarHBondContact O-N 2.83Å; E169-Q171 VanDerWaalsContact C-N 3.33Å; E169-Q171 PolarHBondContact O-N 2.77Å; Q171-L173 VanDerWaalsContact C-N 3.33Å; Q171-A174 PolarHBondContact O-N 3.48Å; Q171-K175 WeakPolarHBondContact O-CG 3.46Å; Q171-K175 PolarHBondContact O-N 3.1Å
172	S	81.4	Confident	69.3	Low	38 Å²	38	76.2 Å²	76.2	27%	0.266	40%	0.397	S	S	.	.	H	α-helix	trans	-65.8	-38.6	176.4	82.1	0	0	0	0	111.5	H168 E169 L170 K175 K176	H168-S172 PolarHBondContact O-N 3.32Å; E169-S172 WeakPolarHBondContact O-CB 3.36Å; E169-S172 PolarHBondContact O-N 2.83Å; E169-S172 PolarHBondContact O-OG 3.19Å; L170-S172 VanDerWaalsContact C-N 3.32Å; S172-K175 PolarHBondContact O-N 3.06Å; S172-K176 WeakPolarHBondContact O-CB 3.3Å; S172-K176 VanDerWaalsContact O-CG 3.3Å; S172-K176 WeakPolarHBondContact O-CG 3.34Å; S172-K176 PolarHBondContact O-N 3.24Å
173	L	75.2	Confident	68.1	Low	53 Å²	53	75 Å²	75	28%	0.277	40%	0.4	S	S	.	.	H	α-helix	trans	-66.2	-42.5	175.2	-68.8	176.3	0	0	0	112	E169 L170 Q171 G177	E169-L173 PolarHBondContact O-N 3.26Å; L170-L173 HydrophobicContact CD2-CD1 3.96Å; L170-L173 PolarHBondContact O-N 3.03Å; Q171-L173 VanDerWaalsContact C-N 3.33Å; L173-G177 PolarHBondContact O-N 3.36Å
174	A	73	Confident	67.1	Low	0 Å²	0	77.4 Å²	77.4	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-57.4	-55.9	171.4	0	0	0	0	0	109.1	E121 Q125 L130 L170 Q171 K176 G177	E121-A174 HydrophobicContact CB-CB 4.25Å; Q125-A174 PolarHBondContact NE2-O 2.95Å; Q125-A174 PolarHBondContact OE1-O 3.29Å; L130-A174 HydrophobicContact CD2-CB 4.06Å; L170-A174 PolarHBondContact O-N 2.59Å; Q171-A174 PolarHBondContact O-N 3.48Å; A174-K176 VanDerWaalsContact C-N 3.31Å; A174-K176 PolarHBondContact O-N 2.85Å; A174-G177 PolarHBondContact O-N 3Å; A174-G177 VanDerWaalsContact O-N 3.07Å
175	K	75.2	Confident	66.1	Low	146 Å²	146	82.9 Å²	82.9	64%	0.635	44%	0.444	S	S	*	.	H	α-helix	trans	-58.3	-36.9	-177.2	-74.8	178.9	-178.6	178.3	0	115.1	Q171 S172 G177	Q171-K175 WeakPolarHBondContact O-CG 3.46Å; Q171-K175 PolarHBondContact O-N 3.1Å; S172-K175 PolarHBondContact O-N 3.06Å; K175-G177 PolarHBondContact O-N 2.88Å
176	K	72.3	Confident	64.9	Low	135 Å²	135	82.2 Å²	82.2	59%	0.587	45%	0.451	S	S	*	.	H	α-helix	trans	-69.3	-21.1	-179.1	-74.4	176.5	178.9	-178.1	0	113.1	S172 A174 D178	S172-K176 WeakPolarHBondContact O-CB 3.3Å; S172-K176 VanDerWaalsContact O-CG 3.3Å; S172-K176 WeakPolarHBondContact O-CG 3.34Å; S172-K176 PolarHBondContact O-N 3.24Å; A174-K176 VanDerWaalsContact C-N 3.31Å; A174-K176 PolarHBondContact O-N 2.85Å; K176-D178 HydrophobicContact CB-CB 4.37Å; K176-D178 WeakPolarHBondContact CB-OD2 3.27Å; K176-D178 PolarHBondContact O-N 3.15Å; K176-D178 VanDerWaalsContact O-N 3.1Å
177	G	63.6	Low	64.1	Low	31 Å²	31	80.9 Å²	80.9	32%	0.32	45%	0.451	S	S	.	.			trans	66.9	5.9	-179.4	0	0	0	0	0	114.1	L173 A174 K175 L179 G180	L173-G177 PolarHBondContact O-N 3.36Å; A174-G177 PolarHBondContact O-N 3Å; A174-G177 VanDerWaalsContact O-N 3.07Å; K175-G177 PolarHBondContact O-N 2.88Å; G177-L179 PolarHBondContact O-N 3.02Å; G177-G180 PolarHBondContact O-N 2.99Å
178	D	56.7	Low	63.5	Low	123 Å²	123	84.9 Å²	84.9	66%	0.658	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	0.7	-170.2	-75	-25.9	0	0	0	114.6	K176	K176-D178 HydrophobicContact CB-CB 4.37Å; K176-D178 WeakPolarHBondContact CB-OD2 3.27Å; K176-D178 PolarHBondContact O-N 3.15Å; K176-D178 VanDerWaalsContact O-N 3.1Å
179	L	54.3	Low	63.5	Low	111 Å²	111	82.4 Å²	82.4	58%	0.581	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	9	-175.9	-73.3	157.3	0	0	0	113.7	G177	G177-L179 PolarHBondContact O-N 3.02Å
180	G	50.4	Low	63.7	Low	31 Å²	31	89.1 Å²	89.1	32%	0.32	50%	0.501	S	S	.	.	S	Bend	trans	-115.4	140.2	178.5	0	0	0	0	0	112.5	G177 S182	G177-G180 PolarHBondContact O-N 2.99Å; G180-S182 PolarHBondContact O-N 3.22Å
181	C	50.3	Low	64.3	Low	115 Å²	115	93.7 Å²	93.7	78%	0.777	53%	0.525	S	S	*	.			trans	-61.7	101.5	168.4	-171.1	0	0	0	0	108.3	S183	C181-S183 VanDerWaalsContact C-N 3.25Å; C181-S183 PolarHBondContact O-N 3.17Å
182	S	43.8	Very low	64.7	Low	122 Å²	122	92.9 Å²	92.9	85%	0.853	52%	0.521	S	S	*	.			trans	-72.5	75.7	-178.4	47.7	0	0	0	0	110.7	G180	G180-S182 PolarHBondContact O-N 3.22Å
183	S	43.5	Very low	64.9	Low	81 Å²	81	92.7 Å²	92.7	57%	0.566	52%	0.522	S	S	*	.			trans	-157.9	141.9	153.2	59	0	0	0	0	109.4	C181	C181-S183 VanDerWaalsContact C-N 3.25Å; C181-S183 PolarHBondContact O-N 3.17Å
184	C	46.1	Very low	65.6	Low	83 Å²	83	93.5 Å²	93.5	56%	0.561	53%	0.532	S	S	*	.			trans	81.9	125.3	170.2	86.9	0	0	0	0	118.7	D186	C184-D186 PolarHBondContact O-N 3.42Å
185	E	52.3	Low	66.4	Low	204 Å²	204	94.5 Å²	94.5	95%	0.953	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	10.8	173.9	-63.8	174.8	140.4	0	0	113.3
186	D	53.4	Low	67	Low	140 Å²	140	90.1 Å²	90.1	75%	0.749	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	24.4	-165.6	-79.5	-33.8	0	0	0	114.5	C184 A188	C184-D186 PolarHBondContact O-N 3.42Å; D186-A188 PolarHBondContact O-N 2.91Å
187	N	57.6	Low	67.7	Low	64 Å²	64	91.2 Å²	91.2	34%	0.342	52%	0.518	S	S	.	.			trans	-77.9	24.9	-175.6	-76.6	-30.4	0	0	0	115.7	T189 I192	N187-T189 VanDerWaalsContact C-N 3.29Å; N187-T189 PolarHBondContact O-N 2.65Å; N187-I192 WeakPolarHBondContact O-CD1 3.32Å
188	A	66.2	Low	69	Low	84 Å²	84	95.6 Å²	95.6	69%	0.694	53%	0.525	S	S	*	.			trans	-81.3	69.1	176.1	0	0	0	0	0	112	D186	D186-A188 PolarHBondContact O-N 2.91Å
189	T	83.7	Confident	70.6	Confident	72 Å²	72	90.4 Å²	90.4	44%	0.442	50%	0.497	S	S	.	.			trans	-65.3	155.6	173.7	71.1	0	0	0	0	111.6	N187 N191 I192 A193	N187-T189 VanDerWaalsContact C-N 3.29Å; N187-T189 PolarHBondContact O-N 2.65Å; T189-N191 PolarHBondContact O-N 2.89Å; T189-N191 VanDerWaalsContact O-N 3.12Å; T189-I192 HydrophobicContact CG2-CD1 4.29Å; T189-I192 PolarHBondContact O-N 2.95Å; T189-I192 VanDerWaalsContact O-N 3.13Å; T189-I192 WeakPolarHBondContact OG1-CD1 3.08Å; T189-I192 WeakPolarHBondContact OG1-CG1 3.43Å; T189-I192 PolarHBondContact OG1-N 3.5Å; T189-A193 PolarHBondContact O-N 2.87Å
190	R	85.2	Confident	72.1	Confident	208 Å²	208	86.6 Å²	86.6	79%	0.785	48%	0.477	S	S	*	.	H	α-helix	trans	-53.9	-35.9	178.1	-168.8	-178.9	77.3	166.8	1.8	112.6	S194	R190-S194 WeakPolarHBondContact O-CB 3.24Å; R190-S194 PolarHBondContact O-N 3.32Å
191	N	87.1	Confident	73.7	Confident	97 Å²	97	91.8 Å²	91.8	52%	0.519	49%	0.487	S	S	.	.	H	α-helix	trans	-70.8	-46.1	-179.8	-66.9	-14	0	0	0	111.3	L128 T189 A193 S194 V195	L128-N191 HydrophobicContact CD2-CB 4.33Å; T189-N191 PolarHBondContact O-N 2.89Å; T189-N191 VanDerWaalsContact O-N 3.12Å; N191-A193 VanDerWaalsContact C-N 3.34Å; N191-A193 PolarHBondContact O-N 3Å; N191-S194 WeakPolarHBondContact O-CB 3.45Å; N191-S194 PolarHBondContact O-N 3.47Å; N191-V195 PolarHBondContact O-N 3.38Å
192	I	87.4	Confident	75.4	Confident	13 Å²	13	90 Å²	90	7%	0.067	47%	0.469	C	S	.	.	H	α-helix	trans	-58.3	-47.3	173.9	-70.4	165	0	0	0	110.1	L123 L128 N187 T189 S194 V195 R196	L123-I192 HydrophobicContact CB-CG2 4.28Å; L123-I192 HydrophobicContact CD2-CG2 4.17Å; L128-I192 HydrophobicContact CD1-CG1 4.47Å; N187-I192 WeakPolarHBondContact O-CD1 3.32Å; T189-I192 HydrophobicContact CG2-CD1 4.29Å; T189-I192 PolarHBondContact O-N 2.95Å; T189-I192 VanDerWaalsContact O-N 3.13Å; T189-I192 WeakPolarHBondContact OG1-CD1 3.08Å; T189-I192 WeakPolarHBondContact OG1-CG1 3.43Å; T189-I192 PolarHBondContact OG1-N 3.5Å; I192-S194 VanDerWaalsContact C-N 3.3Å; I192-S194 PolarHBondContact O-N 3.01Å; I192-V195 PolarHBondContact O-N 3.31Å; I192-R196 VanDerWaalsContact O-CB 3.23Å; I192-R196 WeakPolarHBondContact O-CB 3.34Å; I192-R196 PolarHBondContact O-N 3.14Å
193	A	86.3	Confident	77.4	Confident	34 Å²	34	84.7 Å²	84.7	28%	0.281	43%	0.431	S	S	.	.	H	α-helix	trans	-63.7	-33.1	178.2	0	0	0	0	0	113.3	T189 N191 R197	T189-A193 PolarHBondContact O-N 2.87Å; N191-A193 VanDerWaalsContact C-N 3.34Å; N191-A193 PolarHBondContact O-N 3Å; A193-R197 WeakPolarHBondContact O-CB 3.49Å; A193-R197 WeakPolarHBondContact O-CG 3.49Å; A193-R197 PolarHBondContact O-N 3Å; A193-R197 PolarHBondContact O-NE 2.83Å
194	S	88.8	Confident	79.1	Confident	69 Å²	69	81.1 Å²	81.1	48%	0.483	41%	0.406	S	S	.	.	H	α-helix	trans	-68.3	-49.9	174.7	-172.3	0	0	0	0	111.4	R190 N191 I192 R197 R198	R190-S194 WeakPolarHBondContact O-CB 3.24Å; R190-S194 PolarHBondContact O-N 3.32Å; N191-S194 WeakPolarHBondContact O-CB 3.45Å; N191-S194 PolarHBondContact O-N 3.47Å; I192-S194 VanDerWaalsContact C-N 3.3Å; I192-S194 PolarHBondContact O-N 3.01Å; S194-R197 PolarHBondContact O-N 2.99Å; S194-R198 PolarHBondContact O-N 3.07Å
195	V	89.5	Confident	80.6	Confident	21 Å²	21	81.5 Å²	81.5	13%	0.127	40%	0.402	C	S	.	.	H	α-helix	trans	-65.1	-42.5	179.4	171.8	0	0	0	0	111.3	L123 L128 N191 I192 R197 R198 I199	L123-V195 HydrophobicContact CD2-CG1 4.38Å; L128-V195 HydrophobicContact CD1-CB 3.92Å; L128-V195 HydrophobicContact CD1-CG1 4.08Å; L128-V195 HydrophobicContact CD1-CG2 3.82Å; N191-V195 PolarHBondContact O-N 3.38Å; I192-V195 PolarHBondContact O-N 3.31Å; V195-R197 VanDerWaalsContact C-N 3.35Å; V195-R197 PolarHBondContact O-N 2.81Å; V195-R198 WeakPolarHBondContact O-CB 3.14Å; V195-R198 PolarHBondContact O-N 2.67Å; V195-R198 VanDerWaalsContact O-N 3.16Å; V195-I199 HydrophobicContact CG1-CD1 3.73Å; V195-I199 HydrophobicContact CG1-CG1 4.29Å; V195-I199 WeakPolarHBondContact O-CG1 3.35Å; V195-I199 PolarHBondContact O-N 2.94Å
196	R	89.6	Confident	82	Confident	55 Å²	55	74.3 Å²	74.3	21%	0.208	38%	0.375	C	S	.	.	H	α-helix	trans	-53.9	-50.1	173	-170.2	-177.5	-173.9	118.2	6.1	111.6	M120 L123 N124 I192 R198 I199 I200 P315	M120-R196 HydrophobicContact CE-CG 4.42Å; M120-R196 HydrophobicContact SD-CG 3.87Å; L123-R196 HydrophobicContact CD1-CB 3.91Å; L123-R196 HydrophobicContact CD1-CG 4.28Å; N124-R196 PolarHBondContact OD1-NH1 3.32Å; I192-R196 VanDerWaalsContact O-CB 3.23Å; I192-R196 WeakPolarHBondContact O-CB 3.34Å; I192-R196 PolarHBondContact O-N 3.14Å; R196-R198 VanDerWaalsContact C-N 3.32Å; R196-R198 PolarHBondContact O-N 2.85Å; R196-I199 PolarHBondContact O-N 3.21Å; R196-I200 HydrophobicContact CG-CD1 3.8Å; R196-I200 WeakPolarHBondContact O-CB 3.23Å; R196-I200 WeakPolarHBondContact O-CG1 3.39Å; R196-I200 PolarHBondContact O-N 3.18Å; R196-P315 VanDerWaalsContact NH2-CG 3.31Å
197	R	85.9	Confident	83.2	Confident	158 Å²	158	71 Å²	71	60%	0.596	35%	0.354	S	S	*	.	H	α-helix	trans	-62.3	-37.7	178.8	-81.4	-174.9	-74.9	-166.9	-2.8	112.6	A193 S194 V195 R201	A193-R197 WeakPolarHBondContact O-CB 3.49Å; A193-R197 WeakPolarHBondContact O-CG 3.49Å; A193-R197 PolarHBondContact O-N 3Å; A193-R197 PolarHBondContact O-NE 2.83Å; S194-R197 PolarHBondContact O-N 2.99Å; V195-R197 VanDerWaalsContact C-N 3.35Å; V195-R197 PolarHBondContact O-N 2.81Å; R197-R201 VanDerWaalsContact O-CB 3.23Å; R197-R201 WeakPolarHBondContact O-CB 3.45Å; R197-R201 PolarHBondContact O-N 2.98Å
198	R	90.3	Very high	84	Confident	123 Å²	123	69.2 Å²	69.2	46%	0.464	34%	0.344	S	S	.	.	H	α-helix	trans	-63.8	-54.4	175.6	-177.6	177.6	65.1	179.3	1.3	110.9	S194 V195 R196 I200 R201 D202	S194-R198 PolarHBondContact O-N 3.07Å; V195-R198 WeakPolarHBondContact O-CB 3.14Å; V195-R198 PolarHBondContact O-N 2.67Å; V195-R198 VanDerWaalsContact O-N 3.16Å; R196-R198 VanDerWaalsContact C-N 3.32Å; R196-R198 PolarHBondContact O-N 2.85Å; R198-I200 VanDerWaalsContact C-N 3.34Å; R198-I200 PolarHBondContact O-N 2.94Å; R198-R201 WeakPolarHBondContact O-CB 3.5Å; R198-R201 PolarHBondContact O-N 3.37Å; R198-R201 VanDerWaalsContact O-N 3.1Å; R198-D202 WeakPolarHBondContact CG-OD2 3.39Å; R198-D202 PolarHBondContact O-N 3.12Å
199	I	90.4	Very high	84.1	Confident	14 Å²	14	71.9 Å²	71.9	7%	0.072	34%	0.337	C	S	.	.	H	α-helix	trans	-57.1	-47.3	-179.7	-65.6	169.8	0	0	0	111.1	L116 Q119 M120 L123 V195 R196 R201 D202 F203	L116-I199 HydrophobicContact CD1-CG2 3.62Å; Q119-I199 HydrophobicContact CB-CD1 4.24Å; Q119-I199 VanDerWaalsContact OE1-CG2 3.27Å; M120-I199 HydrophobicContact CE-CB 3.88Å; M120-I199 HydrophobicContact CE-CD1 4.15Å; M120-I199 HydrophobicContact CE-CG2 3.51Å; L123-I199 HydrophobicContact CD1-CD1 4.08Å; V195-I199 HydrophobicContact CG1-CD1 3.73Å; V195-I199 HydrophobicContact CG1-CG1 4.29Å; V195-I199 WeakPolarHBondContact O-CG1 3.35Å; V195-I199 PolarHBondContact O-N 2.94Å; R196-I199 PolarHBondContact O-N 3.21Å; I199-R201 VanDerWaalsContact C-N 3.35Å; I199-R201 PolarHBondContact O-N 3.35Å; I199-D202 PolarHBondContact O-N 3.47Å; I199-F203 WeakPolarHBondContact O-CB 3.23Å; I199-F203 PolarHBondContact O-N 2.84Å
200	I	86.4	Confident	83.4	Confident	31 Å²	31	75.9 Å²	75.9	16%	0.159	34%	0.344	C	S	.	.	H	α-helix	trans	-60.3	-45	177.7	-72	172.2	0	0	0	111.1	M120 R196 R198 C204 V313	M120-I200 HydrophobicContact SD-CD1 4.34Å; M120-I200 HydrophobicContact SD-CG1 4.26Å; R196-I200 HydrophobicContact CG-CD1 3.8Å; R196-I200 WeakPolarHBondContact O-CB 3.23Å; R196-I200 WeakPolarHBondContact O-CG1 3.39Å; R196-I200 PolarHBondContact O-N 3.18Å; R198-I200 VanDerWaalsContact C-N 3.34Å; R198-I200 PolarHBondContact O-N 2.94Å; I200-C204 VanDerWaalsContact O-CB 3.3Å; I200-C204 WeakPolarHBondContact O-CB 3.48Å; I200-C204 PolarHBondContact O-N 2.98Å; I200-C204 PolarHBondContact O-SG 3.31Å; I200-V313 HydrophobicContact CG2-CG1 4.07Å
201	R	83.2	Confident	82.4	Confident	139 Å²	139	73.2 Å²	73.2	53%	0.525	33%	0.334	S	S	.	.	H	α-helix	trans	-62.4	-46.3	179.3	-173	-167.7	-56.3	130.3	0.4	111.4	R197 R198 I199 C204 N205	R197-R201 VanDerWaalsContact O-CB 3.23Å; R197-R201 WeakPolarHBondContact O-CB 3.45Å; R197-R201 PolarHBondContact O-N 2.98Å; R198-R201 WeakPolarHBondContact O-CB 3.5Å; R198-R201 PolarHBondContact O-N 3.37Å; R198-R201 VanDerWaalsContact O-N 3.1Å; I199-R201 VanDerWaalsContact C-N 3.35Å; I199-R201 PolarHBondContact O-N 3.35Å; R201-C204 PolarHBondContact O-N 3.27Å; R201-N205 WeakPolarHBondContact O-CB 3.34Å; R201-N205 VanDerWaalsContact O-CG 3.31Å; R201-N205 PolarHBondContact O-N 3.22Å; R201-N205 PolarHBondContact O-ND2 3.07Å
202	D	86.8	Confident	81.6	Confident	77 Å²	77	71.1 Å²	71.1	41%	0.412	32%	0.323	S	S	.	.	H	α-helix	trans	-66.4	-42.1	-177.5	-62.7	-16.9	0	0	0	110.6	R198 I199 S206	R198-D202 WeakPolarHBondContact CG-OD2 3.39Å; R198-D202 PolarHBondContact O-N 3.12Å; I199-D202 PolarHBondContact O-N 3.47Å; D202-S206 WeakPolarHBondContact O-CB 3.32Å; D202-S206 PolarHBondContact O-N 3.28Å; D202-S206 PolarHBondContact O-OG 2.76Å
203	F	85.7	Confident	80.9	Confident	12 Å²	12	74.8 Å²	74.8	5%	0.053	35%	0.35	C	S	.	.	H	α-helix	trans	-62.3	-46.4	173.1	-178	-92.1	0	0	0	111.8	V106 V113 L116 I199 N205 S206 F207 L208 I309 V313	V106-F203 HydrophobicContact CG1-CZ 4.37Å; V113-F203 HydrophobicContact CG2-CZ 4.25Å; L116-F203 HydrophobicContact CB-CD2 4.06Å; L116-F203 HydrophobicContact CB-CE2 4.15Å; L116-F203 HydrophobicContact CD1-CB 4.22Å; L116-F203 HydrophobicContact CD1-CD2 4.4Å; L116-F203 HydrophobicContact CD1-CG 4.24Å; L116-F203 HydrophobicContact CD2-CD1 3.7Å; L116-F203 HydrophobicContact CD2-CD2 3.86Å; L116-F203 HydrophobicContact CD2-CE1 3.72Å; L116-F203 HydrophobicContact CD2-CE2 3.88Å; L116-F203 HydrophobicContact CD2-CG 3.77Å; L116-F203 HydrophobicContact CD2-CZ 3.82Å; L116-F203 HydrophobicContact CG-CD2 4.32Å; L116-F203 HydrophobicContact CG-CG 4.44Å; I199-F203 WeakPolarHBondContact O-CB 3.23Å; I199-F203 PolarHBondContact O-N 2.84Å; F203-N205 PolarHBondContact O-N 3.24Å; F203-S206 PolarHBondContact O-N 2.84Å; F203-F207 AromaticContact CD2-CD2 3.52Å; F203-F207 HydrophobicContact CD2-CD2 3.52Å; F203-F207 HydrophobicContact CD2-CE2 4.13Å; F203-F207 HydrophobicContact CD2-CG 4.44Å; F203-F207 HydrophobicContact CE2-CB 4.4Å; F203-F207 AromaticContact CE2-CD2 3.84Å; F203-F207 HydrophobicContact CE2-CD2 3.84Å; F203-F207 HydrophobicContact CE2-CG 4.38Å; F203-F207 HydrophobicContact CG-CD2 4.09Å; F203-F207 HydrophobicContact CZ-CB 4.43Å; F203-F207 WeakPolarHBondContact O-CB 3.13Å; F203-F207 WeakPolarHBondContact O-CD2 3.48Å; F203-F207 PolarHBondContact O-N 3.33Å; F203-L208 HydrophobicContact CD1-CD1 3.89Å; F203-L208 HydrophobicContact CD1-CG 4.23Å; F203-L208 HydrophobicContact CE1-CD1 3.75Å; F203-L208 HydrophobicContact CE1-CG 3.82Å; F203-I309 HydrophobicContact CE1-CG2 4.12Å; F203-I309 HydrophobicContact CZ-CG2 4.24Å; F203-V313 HydrophobicContact CD1-CG2 4.01Å; F203-V313 HydrophobicContact CE1-CG2 3.95Å
204	C	79.5	Confident	80.7	Confident	5 Å²	5	76.3 Å²	76.3	3%	0.034	36%	0.355	C	S	.	.	I	π-helix	trans	-60.8	-47.6	179.7	-71.9	0	0	0	0	111.5	I200 R201 L208 Y209	I200-C204 VanDerWaalsContact O-CB 3.3Å; I200-C204 WeakPolarHBondContact O-CB 3.48Å; I200-C204 PolarHBondContact O-N 2.98Å; I200-C204 PolarHBondContact O-SG 3.31Å; R201-C204 PolarHBondContact O-N 3.27Å; C204-L208 HydrophobicContact CB-CD1 4.49Å; C204-L208 PolarHBondContact O-N 3.2Å; C204-L208 VanDerWaalsContact O-N 3.1Å; C204-Y209 HydrophobicContact CB-CD2 4Å; C204-Y209 HydrophobicContact CB-CE2 3.59Å; C204-Y209 WeakPolarHBondContact O-CB 3.35Å; C204-Y209 PolarHBondContact O-N 3.05Å
205	N	77.7	Confident	80.3	Confident	91 Å²	91	73 Å²	73	49%	0.487	33%	0.332	S	S	.	.	I	π-helix	trans	-66.6	-40.7	-179.1	-72.1	-19.7	0	0	0	112.5	R201 F203	R201-N205 WeakPolarHBondContact O-CB 3.34Å; R201-N205 VanDerWaalsContact O-CG 3.31Å; R201-N205 PolarHBondContact O-N 3.22Å; R201-N205 PolarHBondContact O-ND2 3.07Å; F203-N205 PolarHBondContact O-N 3.24Å
206	S	80.9	Confident	79.8	Confident	54 Å²	54	74.8 Å²	74.8	38%	0.378	34%	0.344	S	S	.	.	I	π-helix	trans	-77.5	-34.8	-175	-56.6	0	0	0	0	113	D202 F203 R210	D202-S206 WeakPolarHBondContact O-CB 3.32Å; D202-S206 PolarHBondContact O-N 3.28Å; D202-S206 PolarHBondContact O-OG 2.76Å; F203-S206 PolarHBondContact O-N 2.84Å; S206-R210 WeakPolarHBondContact O-CB 3.41Å; S206-R210 WeakPolarHBondContact O-CD 3.27Å
207	F	79	Confident	79.4	Confident	71 Å²	71	75.1 Å²	75.1	31%	0.311	35%	0.348	S	S	.	.	I	π-helix	trans	-125.3	-43	-166.5	-54.5	-67.6	0	0	0	114.3	V106 Q112 F203	V106-F207 HydrophobicContact CG2-CB 3.57Å; V106-F207 VanDerWaalsContact CG2-O 3.28Å; V106-F207 WeakPolarHBondContact CG2-O 3.41Å; Q112-F207 HydrophobicContact CB-CE1 4.34Å; Q112-F207 HydrophobicContact CB-CE2 4.17Å; Q112-F207 HydrophobicContact CB-CZ 4.07Å; Q112-F207 HydrophobicContact CG-CE1 3.79Å; Q112-F207 HydrophobicContact CG-CE2 4.21Å; Q112-F207 HydrophobicContact CG-CZ 3.6Å; F203-F207 AromaticContact CD2-CD2 3.52Å; F203-F207 HydrophobicContact CD2-CD2 3.52Å; F203-F207 HydrophobicContact CD2-CE2 4.13Å; F203-F207 HydrophobicContact CD2-CG 4.44Å; F203-F207 HydrophobicContact CE2-CB 4.4Å; F203-F207 AromaticContact CE2-CD2 3.84Å; F203-F207 HydrophobicContact CE2-CD2 3.84Å; F203-F207 HydrophobicContact CE2-CG 4.38Å; F203-F207 HydrophobicContact CG-CD2 4.09Å; F203-F207 HydrophobicContact CZ-CB 4.43Å; F203-F207 WeakPolarHBondContact O-CB 3.13Å; F203-F207 WeakPolarHBondContact O-CD2 3.48Å; F203-F207 PolarHBondContact O-N 3.33Å
208	L	74.2	Confident	79.2	Confident	25 Å²	25	70 Å²	70	13%	0.131	34%	0.336	C	S	.	.	I	π-helix	trans	-82.1	-40.6	-177.5	-73.5	167	0	0	0	113.3	L104 F203 C204 I309 V313	L104-L208 HydrophobicContact CD1-CD2 4.3Å; L104-L208 HydrophobicContact CD2-CD2 4.16Å; F203-L208 HydrophobicContact CD1-CD1 3.89Å; F203-L208 HydrophobicContact CD1-CG 4.23Å; F203-L208 HydrophobicContact CE1-CD1 3.75Å; F203-L208 HydrophobicContact CE1-CG 3.82Å; C204-L208 HydrophobicContact CB-CD1 4.49Å; C204-L208 PolarHBondContact O-N 3.2Å; C204-L208 VanDerWaalsContact O-N 3.1Å; L208-I309 HydrophobicContact CD2-CG2 4.48Å; L208-V313 HydrophobicContact CD1-CG1 4.1Å; L208-V313 HydrophobicContact CD1-CG2 4.13Å
209	Y	69.3	Low	78.8	Confident	140 Å²	140	70.6 Å²	70.6	55%	0.549	35%	0.348	S	S	.	.	S	Bend	trans	-92.5	-15.6	-177.6	-58.1	-27.6	0	0	0	112.8	C204 R211	C204-Y209 HydrophobicContact CB-CD2 4Å; C204-Y209 HydrophobicContact CB-CE2 3.59Å; C204-Y209 WeakPolarHBondContact O-CB 3.35Å; C204-Y209 PolarHBondContact O-N 3.05Å; Y209-R211 PolarHBondContact O-N 2.72Å
210	R	67.9	Low	78.2	Confident	157 Å²	157	71.2 Å²	71.2	59%	0.592	36%	0.355	S	S	*	.			trans	-63.3	132.4	173.7	-174.6	176.8	175.4	168.6	3.4	109.5	S206 D212	S206-R210 WeakPolarHBondContact O-CB 3.41Å; S206-R210 WeakPolarHBondContact O-CD 3.27Å; R210-D212 IonicContact NE-OD1 2.98Å
211	R	64.4	Low	77.8	Confident	152 Å²	152	72.8 Å²	72.8	57%	0.574	37%	0.369	S	S	*	.			trans	-105.9	108.8	179.4	-64.4	178.8	-170.1	-165.8	-4.7	109	Y209 V225	Y209-R211 PolarHBondContact O-N 2.72Å; R211-V225 PolarHBondContact NH1-O 3.48Å; R211-V225 PolarHBondContact NH2-O 3.14Å
212	D	70.1	Confident	77.4	Confident	53 Å²	53	67.1 Å²	67.1	28%	0.283	35%	0.348	S	S	.	.			trans	-77.7	136.3	168	-61.7	-36.6	0	0	0	109.3	R210 V214 Q222	R210-D212 IonicContact NE-OD1 2.98Å; D212-V214 WeakPolarHBondContact CB-O 3.45Å; D212-V214 PolarHBondContact O-N 2.95Å; D212-Q222 WeakPolarHBondContact O-CG 3.43Å
213	S	74.1	Confident	76.9	Confident	89 Å²	89	64.8 Å²	64.8	62%	0.622	34%	0.335	S	S	*	.	S	Bend	trans	-65.7	-21.9	-180	59.7	0	0	0	0	112.2	Q222	S213-Q222 PolarHBondContact O-N 2.6Å
214	V	81.4	Confident	76.4	Confident	66 Å²	66	65.9 Å²	65.9	40%	0.4	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-134.5	135.5	179.9	179.7	0	0	0	0	108.2	D212 L219	D212-V214 WeakPolarHBondContact CB-O 3.45Å; D212-V214 PolarHBondContact O-N 2.95Å; V214-L219 HydrophobicContact CG1-CB 4.43Å; V214-L219 WeakPolarHBondContact CG1-O 3.37Å
215	C	79.7	Confident	76.4	Confident	0 Å²	0	67 Å²	67	0%	0	35%	0.354	C	S	.	.			trans	-71.2	129.7	178.3	176.1	0	0	0	0	110.9	C98 C101 F105 H217 L219 A220 Q222	C98-C215 HydrophobicContact CB-CB 4.4Å; C98-C215 VanDerWaalsContact SG-SG 3.66Å; C101-C215 VanDerWaalsContact SG-SG 3.67Å; F105-C215 HydrophobicContact CD1-CB 4.45Å; F105-C215 HydrophobicContact CE1-CB 4.13Å; C215-H217 PolarHBondContact O-N 3.29Å; C215-H217 PolarHBondContact SG-N 2.96Å; C215-H217 VanDerWaalsContact SG-N 3.37Å; C215-L219 WeakPolarHBondContact O-CA 3.47Å; C215-L219 PolarHBondContact O-N 3.09Å; C215-A220 PolarHBondContact N-O 2.8Å; C215-Q222 HydrophobicContact CB-CG 4.49Å
216	P	79.2	Confident	76.1	Confident	59 Å²	59	70.2 Å²	70.2	38%	0.383	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-17.4	178.4	27	-32.9	0	0	0	113.5	F105	F105-P216 WeakPolarHBondContact O-CG 3.39Å
217	H	80.9	Confident	75.8	Confident	61 Å²	61	71.3 Å²	71.3	28%	0.282	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-43.5	-179.7	-67.9	-78.3	0	0	0	114.2	L104 L107 C215	L104-H217 PolarHBondContact O-CD2 3.48Å; L104-H217 VanDerWaalsContact O-CD2 3.32Å; L104-H217 PolarHBondContact O-NE2 3.19Å; L107-H217 WeakPolarHBondContact CD2-CE1 3.24Å; C215-H217 PolarHBondContact O-N 3.29Å; C215-H217 PolarHBondContact SG-N 2.96Å; C215-H217 VanDerWaalsContact SG-N 3.37Å
218	C	83	Confident	75.5	Confident	51 Å²	51	72.5 Å²	72.5	35%	0.345	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	0.3	-172.8	66.9	0	0	0	0	113.4	C101 A220	C101-C218 HydrophobicContact CB-CB 3.81Å; C101-C218 VanDerWaalsContact SG-SG 3.62Å; C218-A220 PolarHBondContact O-N 3.29Å; C218-A220 VanDerWaalsContact SG-CB 3.54Å
219	L	82	Confident	75.1	Confident	136 Å²	136	74.1 Å²	74.1	71%	0.712	40%	0.4	S	S	*	.			trans	58.7	9.4	-179.5	-52	176	0	0	0	114.6	V214 C215	V214-L219 HydrophobicContact CG1-CB 4.43Å; V214-L219 WeakPolarHBondContact CG1-O 3.37Å; C215-L219 WeakPolarHBondContact O-CA 3.47Å; C215-L219 PolarHBondContact O-N 3.09Å
220	A	76.8	Confident	75.2	Confident	26 Å²	26	75.3 Å²	75.3	22%	0.215	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-69.4	134.4	176.1	0	0	0	0	0	110.4	S100 C215 C218 Q222	S100-A220 WeakPolarHBondContact OG-CB 3.35Å; C215-A220 PolarHBondContact N-O 2.8Å; C218-A220 PolarHBondContact O-N 3.29Å; C218-A220 VanDerWaalsContact SG-CB 3.54Å; A220-Q222 PolarHBondContact O-N 3.44Å; A220-Q222 PolarHBondContact O-NE2 3.12Å
221	S	77.4	Confident	75.5	Confident	65 Å²	65	72.6 Å²	72.6	46%	0.455	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-65	130.6	173.6	85.4	0	0	0	0	110
222	Q	75.8	Confident	76.1	Confident	20 Å²	20	66.3 Å²	66.3	9%	0.093	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-86	138.4	-173.5	-63.5	-57.2	-57.8	0	0	112.4	C98 F105 D212 S213 C215 A220 K238	C98-Q222 PolarHBondContact SG-NE2 2.97Å; F105-Q222 HydrophobicContact CE1-CG 3.66Å; F105-Q222 HydrophobicContact CZ-CB 4.43Å; F105-Q222 HydrophobicContact CZ-CG 3.61Å; D212-Q222 WeakPolarHBondContact O-CG 3.43Å; S213-Q222 PolarHBondContact O-N 2.6Å; C215-Q222 HydrophobicContact CB-CG 4.49Å; A220-Q222 PolarHBondContact O-N 3.44Å; A220-Q222 PolarHBondContact O-NE2 3.12Å; Q222-K238 WeakPolarHBondContact O-CE 3.46Å; Q222-K238 PolarHBondContact O-NZ 3.12Å; Q222-K238 VanDerWaalsContact O-NZ 3.14Å
223	N	75.8	Confident	76.6	Confident	27 Å²	27	64.2 Å²	64.2	14%	0.144	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-88.6	136.9	174	-75.3	-29.8	0	0	0	110.4	V225 M235 S236	N223-V225 PolarHBondContact O-N 3.36Å; N223-M235 HydrophobicContact CB-CG 3.55Å; N223-M235 HydrophobicContact CB-SD 3.81Å; N223-S236 WeakPolarHBondContact CB-O 3.38Å; N223-S236 PolarHBondContact OD1-O 3.34Å
224	A	76.5	Confident	76.9	Confident	36 Å²	36	61.4 Å²	61.4	30%	0.298	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	121.4	-175.8	0	0	0	0	0	110.8	S236	A224-S236 PolarHBondContact N-O 3.38Å; A224-S236 PolarHBondContact O-N 2.72Å
225	V	77.7	Confident	76.8	Confident	28 Å²	28	58.2 Å²	58.2	17%	0.17	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.5	177.6	144.7	0	0	0	0	110.3	R95 R211 N223	R95-V225 HydrophobicContact CB-CG1 4.12Å; R95-V225 HydrophobicContact CG-CG1 4.17Å; R95-V225 VanDerWaalsContact CZ-CB 3.46Å; R95-V225 VanDerWaalsContact NH1-CB 3.35Å; R95-V225 VanDerWaalsContact NH1-CG1 3.28Å; R211-V225 PolarHBondContact NH1-O 3.48Å; R211-V225 PolarHBondContact NH2-O 3.14Å; N223-V225 PolarHBondContact O-N 3.36Å
226	R	72.2	Confident	76.8	Confident	158 Å²	158	59.5 Å²	59.5	60%	0.596	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.3	166.6	-57	-176.2	-146.7	-155.3	4.3	111.2	R95 I233 L234	R95-R226 PolarHBondContact NH1-O 3.28Å; R226-I233 WeakPolarHBondContact O-CA 3.48Å; R226-L234 PolarHBondContact N-O 3.49Å; R226-L234 PolarHBondContact O-N 3.2Å
227	A	74.7	Confident	76.6	Confident	77 Å²	77	57.6 Å²	57.6	64%	0.636	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	130.8	164.6	0	0	0	0	0	107.6	V232 I233	A227-V232 WeakPolarHBondContact CA-O 3.45Å; A227-I233 HydrophobicContact CB-CG1 4.32Å
228	E	71.9	Confident	76	Confident	97 Å²	97	59.1 Å²	59.1	45%	0.453	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.1	-177.9	-164.2	177.3	151.5	0	0	109.6	R230 R231 V232 L234	E228-R230 PolarHBondContact O-N 2.82Å; E228-R231 WeakPolarHBondContact O-CG 3.44Å; E228-R231 PolarHBondContact O-N 3.26Å; E228-V232 HydrophobicContact CB-CG2 3.86Å; E228-V232 PolarHBondContact N-O 3.33Å; E228-V232 PolarHBondContact O-N 3.26Å; E228-L234 WeakPolarHBondContact OE2-CD1 3.22Å
229	G	66.9	Low	74.7	Confident	58 Å²	58	61.3 Å²	61.3	60%	0.598	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	22.8	175	0	0	0	0	0	116.1	R231	G229-R231 PolarHBondContact O-N 3.03Å; G229-R231 VanDerWaalsContact O-N 3.07Å
230	R	70.4	Confident	73.2	Confident	166 Å²	166	65.7 Å²	65.7	63%	0.626	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	21.1	-174.9	-52.9	-179.6	-173	165.7	4.6	114.5	E228 N416 D420	E228-R230 PolarHBondContact O-N 2.82Å; R230-N416 PolarHBondContact O-ND2 3.11Å; R230-D420 IonicContact NH1-OD2 3.24Å; R230-D420 PolarHBondContact NH1-OD2 2.8Å
231	R	74.4	Confident	71.8	Confident	100 Å²	100	69.4 Å²	69.4	38%	0.377	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-28.2	-174.6	64.8	178	-176.6	176	-0.2	113.8	E228 G229 L409 L413	E228-R231 WeakPolarHBondContact O-CG 3.44Å; E228-R231 PolarHBondContact O-N 3.26Å; G229-R231 PolarHBondContact O-N 3.03Å; G229-R231 VanDerWaalsContact O-N 3.07Å; R231-L409 HydrophobicContact CB-CD2 4.43Å; R231-L409 HydrophobicContact CG-CD2 4.43Å; R231-L413 HydrophobicContact CB-CD2 3.95Å; R231-L413 HydrophobicContact CB-CG 4.42Å
232	V	78.4	Confident	70.1	Confident	20 Å²	20	67.9 Å²	67.9	12%	0.121	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.7	-178.1	-70.6	0	0	0	0	111.8	A227 E228 L234 L288 L409	A227-V232 WeakPolarHBondContact CA-O 3.45Å; E228-V232 HydrophobicContact CB-CG2 3.86Å; E228-V232 PolarHBondContact N-O 3.33Å; E228-V232 PolarHBondContact O-N 3.26Å; V232-L234 HydrophobicContact CG2-CG 4.46Å; V232-L288 HydrophobicContact CB-CD1 3.78Å; V232-L288 HydrophobicContact CG1-CD1 3.72Å; V232-L409 HydrophobicContact CG1-CD1 4.45Å; V232-L409 HydrophobicContact CG1-CD2 3.17Å; V232-L409 HydrophobicContact CG1-CG 4.22Å
233	I	78.9	Confident	68.3	Low	9 Å²	9	75.1 Å²	75.1	5%	0.046	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121	173.9	-67.2	-157.5	0	0	0	108.7	L93 V94 R95 R226 A227 L289	L93-I233 HydrophobicContact CD2-CB 3.6Å; L93-I233 HydrophobicContact CD2-CD1 3.19Å; L93-I233 HydrophobicContact CD2-CG1 3.53Å; L93-I233 HydrophobicContact CD2-CG2 4.05Å; V94-I233 HydrophobicContact CB-CD1 4.02Å; V94-I233 HydrophobicContact CG1-CD1 4.25Å; V94-I233 HydrophobicContact CG2-CD1 3.51Å; R95-I233 VanDerWaalsContact CD-CG2 3.41Å; R95-I233 HydrophobicContact CG-CG2 4.18Å; R95-I233 VanDerWaalsContact NE-CG2 3.28Å; R226-I233 WeakPolarHBondContact O-CA 3.48Å; A227-I233 HydrophobicContact CB-CG1 4.32Å; I233-L289 HydrophobicContact CB-CB 4.49Å; I233-L289 HydrophobicContact CG2-CB 4.15Å; I233-L289 HydrophobicContact CG2-CD1 3.98Å; I233-L289 HydrophobicContact CG2-CG 4.41Å; I233-L289 PolarHBondContact O-N 3.26Å
234	L	80.2	Confident	66.8	Low	29 Å²	29	83.8 Å²	83.8	15%	0.152	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.5	-175.6	-61.3	177.7	0	0	0	110.8	R95 R226 E228 V232 K286 R287 L288	R95-L234 PolarHBondContact NH1-O 2.79Å; R95-L234 PolarHBondContact NH2-O 3.08Å; R226-L234 PolarHBondContact N-O 3.49Å; R226-L234 PolarHBondContact O-N 3.2Å; E228-L234 WeakPolarHBondContact OE2-CD1 3.22Å; V232-L234 HydrophobicContact CG2-CG 4.46Å; L234-K286 HydrophobicContact CD1-CD 4.3Å; L234-R287 CarbonylContact C-O 3.54Å; L234-R287 WeakPolarHBondContact CA-O 3.18Å; L234-L288 HydrophobicContact CD2-CB 4.29Å; L234-L288 HydrophobicContact CD2-CD1 3.93Å
235	M	79.8	Confident	65.2	Low	0 Å²	0	84.9 Å²	84.9	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.6	169	-167.3	176.9	-76.6	0	0	109.6	W99 N223 L237 I262 K286 R287 L289	W99-M235 HydrophobicContact CB-CE 3.77Å; W99-M235 HydrophobicContact CD2-CE 3.35Å; W99-M235 HydrophobicContact CE3-CE 3.59Å; W99-M235 HydrophobicContact CG-CE 3.37Å; N223-M235 HydrophobicContact CB-CG 3.55Å; N223-M235 HydrophobicContact CB-SD 3.81Å; M235-L237 HydrophobicContact SD-CD2 4.34Å; M235-I262 HydrophobicContact CE-CD1 4.33Å; M235-I262 HydrophobicContact CE-CG1 4.28Å; M235-K286 CarbonylContact O-C 3.52Å; M235-K286 WeakPolarHBondContact O-CA 3.28Å; M235-R287 HydrophobicContact CB-CB 4.29Å; M235-R287 PolarHBondContact N-O 3.41Å; M235-R287 PolarHBondContact O-N 2.93Å; M235-L289 HydrophobicContact CB-CG 4.42Å; M235-L289 HydrophobicContact CE-CD1 4.1Å; M235-L289 HydrophobicContact CE-CD2 3.96Å; M235-L289 HydrophobicContact CE-CG 4.41Å
236	S	80.2	Confident	63.5	Low	27 Å²	27	87.9 Å²	87.9	19%	0.189	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	118.9	171.4	-51.4	0	0	0	0	109.5	N223 A224	N223-S236 WeakPolarHBondContact CB-O 3.38Å; N223-S236 PolarHBondContact OD1-O 3.34Å; A224-S236 PolarHBondContact N-O 3.38Å; A224-S236 PolarHBondContact O-N 2.72Å
237	L	75.1	Confident	61.8	Low	18 Å²	18	88.6 Å²	88.6	9%	0.094	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-86.2	134.5	178.4	-60.3	171.7	0	0	0	109.7	M235 V282 G285 R287	M235-L237 HydrophobicContact SD-CD2 4.34Å; L237-V282 HydrophobicContact CD1-CG1 3.79Å; L237-V282 HydrophobicContact CD1-CG2 4.25Å; L237-G285 WeakPolarHBondContact CB-O 3.32Å; L237-G285 PolarHBondContact N-O 3.09Å; L237-R287 HydrophobicContact CD1-CB 4.2Å; L237-R287 HydrophobicContact CG-CB 4.39Å
238	K	67.4	Low	59.9	Low	94 Å²	94	89.1 Å²	89.1	41%	0.409	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-71.7	144	174.7	-66.1	-178.7	-177.8	170.1	0	111	Q222 R240 F241	Q222-K238 WeakPolarHBondContact O-CE 3.46Å; Q222-K238 PolarHBondContact O-NZ 3.12Å; Q222-K238 VanDerWaalsContact O-NZ 3.14Å; K238-R240 VanDerWaalsContact C-N 3.26Å; K238-R240 PolarHBondContact O-N 2.73Å; K238-F241 PolarHBondContact O-N 2.87Å; K238-F241 VanDerWaalsContact O-N 3.17Å
239	S	55.6	Low	57.9	Low	97 Å²	97	88.8 Å²	88.8	68%	0.678	47%	0.468	S	S	*	.	H	α-helix	trans	-53.6	-24.7	-162.1	64.7	0	0	0	0	117.3	F241 A242	S239-F241 PolarHBondContact O-N 3.37Å; S239-A242 PolarHBondContact O-N 2.88Å
240	R	50.8	Low	56.2	Low	228 Å²	228	91 Å²	91	86%	0.86	48%	0.48	S	S	*	.	H	α-helix	trans	-65	-25.5	179.5	-67.2	-171.4	-172.9	-174.8	2.5	113.3	K238	K238-R240 VanDerWaalsContact C-N 3.26Å; K238-R240 PolarHBondContact O-N 2.73Å
241	F	46.8	Very low	54.1	Low	104 Å²	104	88.5 Å²	88.5	46%	0.456	48%	0.484	S	S	.	.	H	α-helix	trans	-95.9	-24.2	178.5	-70.9	-79.8	0	0	0	114.1	K238 S239 K243 R244 A245 P260	K238-F241 PolarHBondContact O-N 2.87Å; K238-F241 VanDerWaalsContact O-N 3.17Å; S239-F241 PolarHBondContact O-N 3.37Å; F241-K243 VanDerWaalsContact C-N 3.26Å; F241-K243 PolarHBondContact O-N 3.4Å; F241-R244 PolarHBondContact O-N 2.91Å; F241-R244 VanDerWaalsContact O-N 3.16Å; F241-A245 PolarHBondContact O-N 2.99Å; F241-P260 HydrophobicContact CB-CB 3.9Å; F241-P260 HydrophobicContact CD1-CB 3.57Å; F241-P260 HydrophobicContact CE1-CB 4.31Å; F241-P260 HydrophobicContact CG-CB 3.89Å
242	A	41.5	Very low	51.9	Low	32 Å²	32	93.8 Å²	93.8	26%	0.264	51%	0.509	S	S	.	.	H	α-helix	trans	-64.9	-27.1	-178.8	0	0	0	0	0	113.5	S239 S246	S239-A242 PolarHBondContact O-N 2.88Å; A242-S246 PolarHBondContact O-OG 2.75Å; A242-S246 VanDerWaalsContact O-OG 3.05Å
243	K	39.8	Very low	49.4	Very low	173 Å²	173	100.1 Å²	100.1	75%	0.752	54%	0.543	S	S	*	.	H	α-helix	trans	-74.7	-23.2	175.5	-78.3	-174.4	177.1	-179	0	114.1	F241	F241-K243 VanDerWaalsContact C-N 3.26Å; F241-K243 PolarHBondContact O-N 3.4Å
244	R	42.6	Very low	46.9	Very low	209 Å²	209	110 Å²	110	79%	0.789	59%	0.585	S	S	*	*	H	α-helix	trans	-82.9	-35.6	176	-88.5	-176.7	171.1	178.4	-2.8	112.3	F241 S246	F241-R244 PolarHBondContact O-N 2.91Å; F241-R244 VanDerWaalsContact O-N 3.16Å; R244-S246 VanDerWaalsContact C-N 3.32Å; R244-S246 PolarHBondContact O-N 3.13Å
245	A	43.4	Very low	44.3	Very low	58 Å²	58	117 Å²	117	48%	0.479	62%	0.617	S	S	.	*	H	α-helix	trans	-72.9	-19.7	-179.2	0	0	0	0	0	114.2	F241	F241-A245 PolarHBondContact O-N 2.99Å
246	S	42.9	Very low	41.9	Very low	92 Å²	92	123.5 Å²	123.5	64%	0.643	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-8.2	-177.9	47	0	0	0	0	114.8	A242 R244	A242-S246 PolarHBondContact O-OG 2.75Å; A242-S246 VanDerWaalsContact O-OG 3.05Å; R244-S246 VanDerWaalsContact C-N 3.32Å; R244-S246 PolarHBondContact O-N 3.13Å
247	K	35.5	Very low	39.5	Very low	172 Å²	172	126.6 Å²	126.6	75%	0.748	68%	0.684	S	S	*	*			trans	-108	98.6	174.8	-77.3	-171.6	174.3	-172.8	0	109.4	S249	K247-S249 PolarHBondContact O-N 2.93Å
248	G	34.6	Very low	37.8	Very low	88 Å²	88	128.2 Å²	128.2	91%	0.907	71%	0.705	S	S	*	*			trans	-65	75.4	169.9	0	0	0	0	0	111.9	A250	G248-A250 PolarHBondContact O-N 2.95Å
249	S	30.2	Very low	36.7	Very low	90 Å²	90	127 Å²	127	63%	0.629	70%	0.702	S	S	*	*			trans	-86.6	103.6	167.2	179.5	0	0	0	0	108.5	K247 T251	K247-S249 PolarHBondContact O-N 2.93Å; S249-T251 VanDerWaalsContact C-N 3.32Å; S249-T251 PolarHBondContact O-N 3.01Å
250	A	30.7	Very low	36.1	Very low	105 Å²	105	124.2 Å²	124.2	87%	0.868	68%	0.682	S	S	*	*			trans	-64.5	88.2	166.4	0	0	0	0	0	109.9	G248	G248-A250 PolarHBondContact O-N 2.95Å
251	T	28	Very low	35.8	Very low	113 Å²	113	114.4 Å²	114.4	69%	0.693	65%	0.652	S	S	*	*			trans	-118.9	114.4	164.8	31.9	0	0	0	0	109.5	S249 N253	S249-T251 VanDerWaalsContact C-N 3.32Å; S249-T251 PolarHBondContact O-N 3.01Å; T251-N253 PolarHBondContact O-N 3.16Å
252	K	28.5	Very low	36	Very low	211 Å²	211	110.3 Å²	110.3	92%	0.917	64%	0.635	S	S	*	*			trans	-68.8	57.3	-178.6	-73.4	179.5	169.8	177.6	0	113.1
253	N	25.2	Very low	36.2	Very low	153 Å²	153	112.7 Å²	112.7	82%	0.818	65%	0.649	S	S	*	*			trans	-122.7	91.8	162.5	-83.9	-5.6	0	0	0	108.7	T251 E255	T251-N253 PolarHBondContact O-N 3.16Å; N253-E255 PolarHBondContact O-N 3.12Å
254	K	27.2	Very low	36.4	Very low	216 Å²	216	108.5 Å²	108.5	94%	0.939	63%	0.629	S	S	*	*			trans	-75.8	72	168.1	-80.5	-178	173	-179.5	0	108.9
255	E	25.2	Very low	36.6	Very low	176 Å²	176	101.7 Å²	101.7	82%	0.822	61%	0.608	S	S	*	*			trans	-97	133.9	149	-80.1	-173.7	162.2	0	0	107.2	N253 A257	N253-E255 PolarHBondContact O-N 3.12Å; E255-A257 PolarHBondContact O-N 3.38Å
256	V	29.9	Very low	36.5	Very low	137 Å²	137	102 Å²	102	83%	0.83	61%	0.605	S	S	*	*			trans	-67.1	71.4	-173.5	-175.5	0	0	0	0	109.8	G258	V256-G258 PolarHBondContact O-N 3.14Å
257	A	29.3	Very low	36.4	Very low	92 Å²	92	103.4 Å²	103.4	76%	0.76	61%	0.605	S	S	*	*			trans	-73.9	104.1	165.8	0	0	0	0	0	107	E255 L259	E255-A257 PolarHBondContact O-N 3.38Å; A257-L259 PolarHBondContact O-N 3.36Å
258	G	38.5	Very low	36.8	Very low	52 Å²	52	99.8 Å²	99.8	54%	0.536	59%	0.594	S	S	.	*			trans	-43.7	128.9	-178.4	0	0	0	0	0	112.7	V256	V256-G258 PolarHBondContact O-N 3.14Å
259	L	44.1	Very low	37.2	Very low	68 Å²	68	97.1 Å²	97.1	36%	0.356	56%	0.558	S	S	.	*			trans	-48	138.8	177.3	-85.9	147.6	0	0	0	111	A257 G261 I262 P280	A257-L259 PolarHBondContact O-N 3.36Å; L259-G261 PolarHBondContact O-N 3.09Å; L259-I262 PolarHBondContact O-N 2.92Å; L259-P280 HydrophobicContact CD1-CG 4.15Å; L259-P280 HydrophobicContact CD2-CG 3.48Å; L259-P280 VanDerWaalsContact CD2-CG 3.48Å; L259-P280 HydrophobicContact CG-CG 4.4Å
260	P	43	Very low	37.5	Very low	39 Å²	39	99.5 Å²	99.5	25%	0.253	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.9	113.4	-170.8	22.7	-31.7	0	0	0	111.3	F241	F241-P260 HydrophobicContact CB-CB 3.9Å; F241-P260 HydrophobicContact CD1-CB 3.57Å; F241-P260 HydrophobicContact CE1-CB 4.31Å; F241-P260 HydrophobicContact CG-CB 3.89Å
261	G	45.2	Very low	37.9	Very low	23 Å²	23	98.6 Å²	98.6	24%	0.237	57%	0.565	C	S	.	*	T	Hydrogen-bonded Turn	trans	97.9	3.6	170.6	0	0	0	0	0	117.2	L259	L259-G261 PolarHBondContact O-N 3.09Å
262	I	50.9	Low	38.7	Very low	18 Å²	18	94.4 Å²	94.4	9%	0.092	54%	0.538	C	S	.	.	S	Bend	trans	-141.8	129.2	174.5	-52.3	-176.2	0	0	0	109.4	W99 M235 L259 Y264 L289	W99-I262 HydrophobicContact CE3-CD1 4.01Å; W99-I262 HydrophobicContact CE3-CG1 4.23Å; W99-I262 HydrophobicContact CZ3-CD1 4.28Å; M235-I262 HydrophobicContact CE-CD1 4.33Å; M235-I262 HydrophobicContact CE-CG1 4.28Å; L259-I262 PolarHBondContact O-N 2.92Å; I262-Y264 PolarHBondContact O-N 3.49Å; I262-L289 HydrophobicContact CD1-CD2 3.63Å
263	C	46.3	Very low	39.5	Very low	81 Å²	81	92.1 Å²	92.1	55%	0.547	53%	0.53	S	S	.	.			trans	-75.6	89.8	170	-140.9	0	0	0	0	108.6	S100 R300	S100-C263 WeakPolarHBondContact O-CB 3.41Å; C263-R300 PolarHBondContact O-NH1 3.34Å
264	Y	44.1	Very low	40.2	Very low	85 Å²	85	86.2 Å²	86.2	33%	0.333	50%	0.501	S	S	.	.			trans	-78.5	116.8	176.1	-172.7	-94.6	0	0	0	108.8	I262 P266	I262-Y264 PolarHBondContact O-N 3.49Å; Y264-P266 HydrophobicContact CD1-CG 4.35Å; Y264-P266 HydrophobicContact CE1-CB 3.93Å; Y264-P266 HydrophobicContact CE1-CG 4Å
265	D	45.7	Very low	41.1	Very low	66 Å²	66	78.2 Å²	78.2	35%	0.353	48%	0.48	S	S	.	.			trans	-121.6	109.9	170.6	179	-3.1	0	0	0	107.4	N267 R300	D265-N267 VanDerWaalsContact C-N 3.31Å; D265-N267 PolarHBondContact O-N 2.54Å; D265-N267 PolarHBondContact OD1-N 2.89Å; D265-R300 PolarHBondContact O-NH2 3.43Å
266	P	41.5	Very low	42.1	Very low	66 Å²	66	72.7 Å²	72.7	43%	0.429	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-67	-26.6	-177.5	11	-10	0	0	0	113.8	Y264 L268 M269	Y264-P266 HydrophobicContact CD1-CG 4.35Å; Y264-P266 HydrophobicContact CE1-CB 3.93Å; Y264-P266 HydrophobicContact CE1-CG 4Å; P266-L268 PolarHBondContact O-N 2.96Å; P266-M269 PolarHBondContact O-N 3.37Å; P266-M269 VanDerWaalsContact O-N 3.15Å
267	N	41.8	Very low	43.1	Very low	120 Å²	120	69.1 Å²	69.1	64%	0.642	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-69.7	-15.3	-176.9	-64.8	-22.8	0	0	0	112.9	D265	D265-N267 VanDerWaalsContact C-N 3.31Å; D265-N267 PolarHBondContact O-N 2.54Å; D265-N267 PolarHBondContact OD1-N 2.89Å
268	L	44.2	Very low	44.3	Very low	97 Å²	97	65.6 Å²	65.6	51%	0.508	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-91.3	0.6	177.9	-128.7	83	0	0	0	113.6	P266 R300	P266-L268 PolarHBondContact O-N 2.96Å; L268-R300 HydrophobicContact CD2-CG 3.65Å; L268-R300 VanDerWaalsContact CD2-NE 3.27Å
269	M	41.7	Very low	45.2	Very low	32 Å²	32	68.7 Å²	68.7	16%	0.158	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-89.5	-3.9	170.1	-67.3	-65.5	-168.3	0	0	112.3	P266 G271 I272 A296	P266-M269 PolarHBondContact O-N 3.37Å; P266-M269 VanDerWaalsContact O-N 3.15Å; M269-G271 PolarHBondContact O-N 2.88Å; M269-I272 PolarHBondContact O-N 2.82Å; M269-I272 HydrophobicContact SD-CD1 4.21Å; M269-A296 HydrophobicContact CE-CB 3.63Å; M269-A296 HydrophobicContact SD-CB 4.08Å
270	D	36.7	Very low	46.2	Very low	139 Å²	139	66.9 Å²	66.9	74%	0.743	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	120.3	176.3	-78.8	-19.2	0	0	0	110.6
271	G	39.6	Very low	47.4	Very low	87 Å²	87	67 Å²	67	90%	0.897	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-1.2	-176.1	0	0	0	0	0	115.5	M269	M269-G271 PolarHBondContact O-N 2.88Å
272	I	44.8	Very low	48.6	Very low	24 Å²	24	68.4 Å²	68.4	12%	0.123	40%	0.401	C	S	.	.			trans	-102.2	109.3	169.7	-43.1	-175.4	0	0	0	107.6	M269 C274 R299	M269-I272 PolarHBondContact O-N 2.82Å; M269-I272 HydrophobicContact SD-CD1 4.21Å; I272-C274 VanDerWaalsContact CB-SG 3.55Å; I272-C274 WeakPolarHBondContact CG2-SG 3.31Å; I272-C274 PolarHBondContact O-N 2.8Å; I272-R299 VanDerWaalsContact CG1-NH1 3.33Å
273	E	44.5	Very low	49.6	Very low	163 Å²	163	72.3 Å²	72.3	76%	0.762	43%	0.425	S	S	*	.			trans	-64.7	69.2	160.9	-74.1	-176.2	164.9	0	0	108.8	K89 G275	K89-E273 IonicContact NZ-OE2 3.4Å; K89-E273 PolarHBondContact NZ-OE2 2.86Å; E273-G275 PolarHBondContact O-N 3.34Å
274	C	39.9	Very low	51	Low	30 Å²	30	73.3 Å²	73.3	20%	0.203	44%	0.439	C	S	.	.			trans	-69.5	112.5	163.2	-53.7	0	0	0	0	103.9	I272 V277 C292	I272-C274 VanDerWaalsContact CB-SG 3.55Å; I272-C274 WeakPolarHBondContact CG2-SG 3.31Å; I272-C274 PolarHBondContact O-N 2.8Å; C274-V277 HydrophobicContact CB-CG2 4.47Å; C274-C292 HydrophobicContact CB-CB 4.01Å
275	G	46.1	Very low	52.4	Low	48 Å²	48	70.2 Å²	70.2	50%	0.495	43%	0.433	S	S	.	.			trans	-45.7	155.1	161.9	0	0	0	0	0	110.2	E273 V277	E273-G275 PolarHBondContact O-N 3.34Å; G275-V277 PolarHBondContact O-N 2.97Å; G275-V277 VanDerWaalsContact O-N 3.13Å
276	I	46.5	Very low	53.9	Low	59 Å²	59	72 Å²	72	30%	0.303	44%	0.438	S	S	.	.			trans	-31.4	112.6	-169.1	-48.9	169.7	0	0	0	112.7	M278 A378 N379	I276-M278 HydrophobicContact CB-CE 3.73Å; I276-M278 HydrophobicContact CG2-CE 3.18Å; I276-M278 PolarHBondContact O-N 3.11Å; I276-M278 VanDerWaalsContact O-N 3.07Å; I276-A378 HydrophobicContact CD1-CB 3.49Å; I276-A378 VanDerWaalsContact CD1-CB 3.49Å; I276-A378 WeakPolarHBondContact CD1-O 3.36Å; I276-A378 HydrophobicContact CG1-CB 4.36Å; I276-N379 VanDerWaalsContact CD1-OD1 3.26Å; I276-N379 WeakPolarHBondContact CD1-OD1 3.46Å
277	V	50.5	Low	55.8	Low	63 Å²	63	69 Å²	69	38%	0.382	42%	0.418	S	S	.	.			trans	-65.8	108.3	176.1	-178.2	0	0	0	0	107.6	C274 G275	C274-V277 HydrophobicContact CB-CG2 4.47Å; G275-V277 PolarHBondContact O-N 2.97Å; G275-V277 VanDerWaalsContact O-N 3.13Å
278	M	55.6	Low	57.6	Low	18 Å²	18	64.2 Å²	64.2	9%	0.089	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-85.2	153.9	177.7	-54.1	-87.1	95.8	0	0	110.1	I276 C404	I276-M278 HydrophobicContact CB-CE 3.73Å; I276-M278 HydrophobicContact CG2-CE 3.18Å; I276-M278 PolarHBondContact O-N 3.11Å; I276-M278 VanDerWaalsContact O-N 3.07Å; M278-C404 HydrophobicContact SD-CB 3.93Å
279	D	57.8	Low	59.1	Low	116 Å²	116	59.7 Å²	59.7	62%	0.62	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-62.2	144.7	172.8	-77.5	-38.8	0	0	0	111.5	I281	D279-I281 PolarHBondContact O-N 2.73Å
280	P	64.7	Low	60.7	Low	31 Å²	31	59.4 Å²	59.4	20%	0.201	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-69.7	120	-174	21.3	-27.7	0	0	0	112.3	L259 V282 R287	L259-P280 HydrophobicContact CD1-CG 4.15Å; L259-P280 HydrophobicContact CD2-CG 3.48Å; L259-P280 VanDerWaalsContact CD2-CG 3.48Å; L259-P280 HydrophobicContact CG-CG 4.4Å; P280-V282 PolarHBondContact O-N 3.3Å; P280-R287 HydrophobicContact CB-CG 4.41Å
281	I	66.6	Low	62.6	Low	40 Å²	40	53.3 Å²	53.3	21%	0.205	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-77.1	119	176.4	-57.5	169.2	0	0	0	109.3	D279 R287 L288 E401 H405	D279-I281 PolarHBondContact O-N 2.73Å; I281-R287 WeakPolarHBondContact O-CA 3.46Å; I281-L288 PolarHBondContact O-N 2.83Å; I281-L288 VanDerWaalsContact O-N 3.14Å; I281-E401 HydrophobicContact CD1-CB 4.4Å; I281-E401 HydrophobicContact CG1-CB 4.46Å; I281-H405 HydrophobicContact CD1-CB 3.69Å
282	V	70.6	Confident	64.2	Low	54 Å²	54	50 Å²	50	33%	0.327	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	114.3	176.6	-175.3	0	0	0	0	109.8	L237 P280 K286 R287	L237-V282 HydrophobicContact CD1-CG1 3.79Å; L237-V282 HydrophobicContact CD1-CG2 4.25Å; P280-V282 PolarHBondContact O-N 3.3Å; V282-K286 WeakPolarHBondContact CA-O 3.45Å; V282-R287 HydrophobicContact CG2-CB 4.03Å; V282-R287 HydrophobicContact CG2-CG 4.24Å
283	T	71.9	Confident	65.6	Low	99 Å²	99	49.9 Å²	49.9	61%	0.607	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.8	177.7	-47.2	0	0	0	0	109.1	G285 K286	T283-G285 VanDerWaalsContact C-N 3.25Å; T283-G285 PolarHBondContact O-N 3.33Å; T283-K286 PolarHBondContact N-O 2.94Å; T283-K286 PolarHBondContact O-N 3.21Å
284	A	75.5	Confident	67.1	Low	102 Å²	102	42.1 Å²	42.1	84%	0.843	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	40.1	178.1	0	0	0	0	0	114.1	K286	A284-K286 PolarHBondContact O-N 3.03Å
285	G	74	Confident	68.9	Low	20 Å²	20	41 Å²	41	21%	0.206	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	9.3	-179.3	0	0	0	0	0	114.8	L237 T283	L237-G285 WeakPolarHBondContact CB-O 3.32Å; L237-G285 PolarHBondContact N-O 3.09Å; T283-G285 VanDerWaalsContact C-N 3.25Å; T283-G285 PolarHBondContact O-N 3.33Å
286	K	78.5	Confident	70.3	Confident	103 Å²	103	39.3 Å²	39.3	45%	0.448	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.4	172.1	-62.2	-179.9	-174.7	173.4	0	109.4	L234 M235 V282 T283 A284	L234-K286 HydrophobicContact CD1-CD 4.3Å; M235-K286 CarbonylContact O-C 3.52Å; M235-K286 WeakPolarHBondContact O-CA 3.28Å; V282-K286 WeakPolarHBondContact CA-O 3.45Å; T283-K286 PolarHBondContact N-O 2.94Å; T283-K286 PolarHBondContact O-N 3.21Å; A284-K286 PolarHBondContact O-N 3.03Å
287	R	81	Confident	71.9	Confident	5 Å²	5	36.6 Å²	36.6	2%	0.019	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.3	171	176.4	176.2	173.9	169	4	109.3	L234 M235 L237 P280 I281 V282 E293	L234-R287 CarbonylContact C-O 3.54Å; L234-R287 WeakPolarHBondContact CA-O 3.18Å; M235-R287 HydrophobicContact CB-CB 4.29Å; M235-R287 PolarHBondContact N-O 3.41Å; M235-R287 PolarHBondContact O-N 2.93Å; L237-R287 HydrophobicContact CD1-CB 4.2Å; L237-R287 HydrophobicContact CG-CB 4.39Å; P280-R287 HydrophobicContact CB-CG 4.41Å; I281-R287 WeakPolarHBondContact O-CA 3.46Å; V282-R287 HydrophobicContact CG2-CB 4.03Å; V282-R287 HydrophobicContact CG2-CG 4.24Å; R287-E293 IonicContact CZ-OE1 3.47Å; R287-E293 IonicContact NH2-OE1 3.67Å; R287-E293 PolarHBondContact NH2-OE1 2.98Å
288	L	78.7	Confident	73.3	Confident	19 Å²	19	34.1 Å²	34.1	10%	0.099	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	130.4	165.8	178.7	86	0	0	0	108.9	V232 L234 I281 H405	V232-L288 HydrophobicContact CB-CD1 3.78Å; V232-L288 HydrophobicContact CG1-CD1 3.72Å; L234-L288 HydrophobicContact CD2-CB 4.29Å; L234-L288 HydrophobicContact CD2-CD1 3.93Å; I281-L288 PolarHBondContact O-N 2.83Å; I281-L288 VanDerWaalsContact O-N 3.14Å; L288-H405 WeakPolarHBondContact CD2-CE1 3.28Å; L288-H405 WeakPolarHBondContact CD2-ND1 3.41Å
289	L	76.8	Confident	74.6	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	138.3	169.5	-69.6	-171	0	0	0	110.9	L93 W99 I233 M235 I262 E293 V294	L93-L289 WeakPolarHBondContact CD1-O 3.29Å; W99-L289 HydrophobicContact CD2-CD1 4.24Å; W99-L289 HydrophobicContact CE3-CD1 4.05Å; W99-L289 HydrophobicContact CE3-CD2 4.4Å; W99-L289 HydrophobicContact CH2-CD1 3.32Å; W99-L289 HydrophobicContact CZ2-CD1 3.52Å; W99-L289 HydrophobicContact CZ3-CD1 3.57Å; W99-L289 HydrophobicContact CZ3-CD2 4.09Å; W99-L289 HydrophobicContact CZ3-CG 4.48Å; I233-L289 HydrophobicContact CB-CB 4.49Å; I233-L289 HydrophobicContact CG2-CB 4.15Å; I233-L289 HydrophobicContact CG2-CD1 3.98Å; I233-L289 HydrophobicContact CG2-CG 4.41Å; I233-L289 PolarHBondContact O-N 3.26Å; M235-L289 HydrophobicContact CB-CG 4.42Å; M235-L289 HydrophobicContact CE-CD1 4.1Å; M235-L289 HydrophobicContact CE-CD2 3.96Å; M235-L289 HydrophobicContact CE-CG 4.41Å; I262-L289 HydrophobicContact CD1-CD2 3.63Å; L289-E293 WeakPolarHBondContact CA-OE2 3.38Å; L289-V294 HydrophobicContact CB-CG2 3.81Å; L289-V294 HydrophobicContact CD1-CG2 3.85Å; L289-V294 HydrophobicContact CG-CG2 4.49Å
290	Q	73.7	Confident	75.6	Confident	26 Å²	26	32.2 Å²	32.2	12%	0.121	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-88.5	153.6	176.6	-63.1	-154.1	-26.1	0	0	112.6	C292 E293 V294	Q290-C292 PolarHBondContact O-N 2.98Å; Q290-E293 HydrophobicContact CB-CG 4.06Å; Q290-E293 PolarHBondContact N-OE2 2.76Å; Q290-E293 PolarHBondContact O-N 3.23Å; Q290-V294 VanDerWaalsContact O-CG2 3.25Å; Q290-V294 WeakPolarHBondContact O-CG2 3.32Å; Q290-V294 PolarHBondContact O-N 3.35Å
291	P	76.4	Confident	76.4	Confident	10 Å²	10	31 Å²	31	7%	0.065	18%	0.179	C	C	.	.	H	α-helix	trans	-43.3	-59.7	174.2	-30.8	35.2	0	0	0	113.8	T92 L93 E293 V294 L295 F408	T92-P291 VanDerWaalsContact C-CB 3.42Å; T92-P291 CarbonylContact O-C 2.95Å; T92-P291 WeakPolarHBondContact O-CA 3.29Å; T92-P291 WeakPolarHBondContact O-CB 3.42Å; L93-P291 HydrophobicContact CB-CB 4.3Å; L93-P291 VanDerWaalsContact CD1-CA 3.47Å; L93-P291 HydrophobicContact CD1-CB 4.25Å; L93-P291 VanDerWaalsContact CD1-CD 3.49Å; L93-P291 HydrophobicContact CD1-CG 3.84Å; L93-P291 VanDerWaalsContact CG-CA 3.43Å; L93-P291 HydrophobicContact CG-CB 4.43Å; P291-E293 PolarHBondContact O-N 3.22Å; P291-V294 PolarHBondContact O-N 2.7Å; P291-L295 PolarHBondContact O-N 3.43Å; P291-F408 HydrophobicContact CB-CZ 4.32Å; P291-F408 HydrophobicContact CG-CE1 3.61Å; P291-F408 HydrophobicContact CG-CE2 3.6Å; P291-F408 HydrophobicContact CG-CZ 3.04Å
292	C	73.3	Confident	77.2	Confident	18 Å²	18	30.2 Å²	30.2	12%	0.122	17%	0.173	C	C	.	.	H	α-helix	trans	-58.8	-42.9	-176.9	52	0	0	0	0	112.9	C274 Q290 V294 L295 A296	C274-C292 HydrophobicContact CB-CB 4.01Å; Q290-C292 PolarHBondContact O-N 2.98Å; C292-V294 PolarHBondContact O-N 3.28Å; C292-L295 PolarHBondContact O-N 3.21Å; C292-A296 WeakPolarHBondContact O-CB 3.48Å; C292-A296 PolarHBondContact O-N 3.47Å
293	E	74.6	Confident	77.8	Confident	21 Å²	21	32.5 Å²	32.5	10%	0.098	19%	0.187	C	C	.	.	H	α-helix	trans	-58.5	-38.2	176	-64.3	178.9	135.3	0	0	111.2	R287 L289 Q290 P291 H297	R287-E293 IonicContact CZ-OE1 3.47Å; R287-E293 IonicContact NH2-OE1 3.67Å; R287-E293 PolarHBondContact NH2-OE1 2.98Å; L289-E293 WeakPolarHBondContact CA-OE2 3.38Å; Q290-E293 HydrophobicContact CB-CG 4.06Å; Q290-E293 PolarHBondContact N-OE2 2.76Å; Q290-E293 PolarHBondContact O-N 3.23Å; P291-E293 PolarHBondContact O-N 3.22Å; E293-H297 VanDerWaalsContact O-CB 3.32Å; E293-H297 WeakPolarHBondContact O-CB 3.27Å; E293-H297 PolarHBondContact O-N 2.8Å
294	V	77.3	Confident	78.3	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-80.3	-36.9	-177	-173	0	0	0	0	112.2	L93 V94 R95 W99 L289 Q290 P291 C292 H297 F298	L93-V294 HydrophobicContact CB-CB 4.49Å; L93-V294 HydrophobicContact CD1-CG2 4.41Å; L93-V294 HydrophobicContact CD2-CB 3.65Å; L93-V294 HydrophobicContact CD2-CG1 3.9Å; L93-V294 HydrophobicContact CD2-CG2 3.2Å; L93-V294 HydrophobicContact CG-CB 3.71Å; L93-V294 HydrophobicContact CG-CG1 4.35Å; L93-V294 HydrophobicContact CG-CG2 3.54Å; V94-V294 WeakPolarHBondContact O-CG1 3.37Å; R95-V294 HydrophobicContact CG-CG1 4.44Å; W99-V294 HydrophobicContact CH2-CB 4.02Å; W99-V294 HydrophobicContact CH2-CG1 3.99Å; W99-V294 HydrophobicContact CH2-CG2 3.52Å; W99-V294 HydrophobicContact CZ2-CG1 4.24Å; W99-V294 HydrophobicContact CZ2-CG2 4.27Å; W99-V294 HydrophobicContact CZ3-CG2 4.37Å; L289-V294 HydrophobicContact CB-CG2 3.81Å; L289-V294 HydrophobicContact CD1-CG2 3.85Å; L289-V294 HydrophobicContact CG-CG2 4.49Å; Q290-V294 VanDerWaalsContact O-CG2 3.25Å; Q290-V294 WeakPolarHBondContact O-CG2 3.32Å; Q290-V294 PolarHBondContact O-N 3.35Å; P291-V294 PolarHBondContact O-N 2.7Å; C292-V294 PolarHBondContact O-N 3.28Å; V294-H297 PolarHBondContact O-N 3.48Å; V294-F298 HydrophobicContact CG1-CD1 4.4Å; V294-F298 PolarHBondContact O-N 3.16Å
295	L	77.3	Confident	78.5	Confident	8 Å²	8	26.1 Å²	26.1	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-58.4	-49.8	169.6	179.7	65.3	0	0	0	111.1	P291 C292 H297 F298 R299 D331 F334 R336	P291-L295 PolarHBondContact O-N 3.43Å; C292-L295 PolarHBondContact O-N 3.21Å; L295-H297 VanDerWaalsContact C-N 3.27Å; L295-H297 PolarHBondContact O-N 3.38Å; L295-F298 WeakPolarHBondContact O-CB 3.4Å; L295-F298 PolarHBondContact O-N 3.28Å; L295-R299 PolarHBondContact O-N 2.99Å; L295-D331 WeakPolarHBondContact CD1-OD1 3.32Å; L295-F334 VanDerWaalsContact CA-CE1 3.5Å; L295-F334 HydrophobicContact CB-CD1 3.88Å; L295-F334 HydrophobicContact CB-CE1 3.53Å; L295-F334 HydrophobicContact CB-CZ 4.14Å; L295-F334 HydrophobicContact CD1-CB 4.27Å; L295-F334 HydrophobicContact CD1-CD1 3.63Å; L295-F334 HydrophobicContact CD1-CD2 3.8Å; L295-F334 HydrophobicContact CD1-CE1 3.83Å; L295-F334 HydrophobicContact CD1-CE2 3.99Å; L295-F334 HydrophobicContact CD1-CG 3.67Å; L295-F334 HydrophobicContact CD1-CZ 4.04Å; L295-F334 HydrophobicContact CG-CD1 4.25Å; L295-F334 HydrophobicContact CG-CE1 4.27Å; L295-R336 VanDerWaalsContact CD2-NH2 3.3Å
296	A	75.8	Confident	78.7	Confident	12 Å²	12	25.1 Å²	25.1	10%	0.099	13%	0.126	C	C	.	.	H	α-helix	trans	-59.4	-41.2	178.3	0	0	0	0	0	111.4	M269 C292 F298 R299 R300	M269-A296 HydrophobicContact CE-CB 3.63Å; M269-A296 HydrophobicContact SD-CB 4.08Å; C292-A296 WeakPolarHBondContact O-CB 3.48Å; C292-A296 PolarHBondContact O-N 3.47Å; A296-F298 VanDerWaalsContact C-N 3.33Å; A296-F298 PolarHBondContact O-N 3.32Å; A296-R299 PolarHBondContact O-N 3.24Å; A296-R300 WeakPolarHBondContact O-CG 3.4Å; A296-R300 PolarHBondContact O-N 3.16Å
297	H	78.5	Confident	79	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-62.9	-38	173.9	171.6	81.3	0	0	0	112.7	S97 C98 W99 H102 E293 V294 L295 R300 M301	S97-H297 PolarHBondContact OG-CE1 3.18Å; S97-H297 PolarHBondContact OG-NE2 3.11Å; C98-H297 PolarHBondContact O-CE1 2.99Å; C98-H297 VanDerWaalsContact O-CE1 3.31Å; W99-H297 AromaticContact CD2-CE1 3.92Å; W99-H297 AromaticContact CD2-NE2 3.96Å; W99-H297 AromaticContact CE2-CD2 3.73Å; W99-H297 AromaticContact CE2-CE1 3.82Å; W99-H297 AromaticContact CE2-NE2 3.38Å; W99-H297 HydrophobicContact CH2-CB 3.86Å; W99-H297 AromaticContact CH2-CD2 3.59Å; W99-H297 AromaticContact CH2-CG 3.77Å; W99-H297 HydrophobicContact CZ2-CB 4.43Å; W99-H297 AromaticContact CZ2-CD2 3.28Å; W99-H297 WeakPolarHBondContact CZ2-CD2 3.42Å; W99-H297 AromaticContact CZ2-CG 3.88Å; W99-H297 AromaticContact CZ2-NE2 3.44Å; W99-H297 WeakPolarHBondContact CZ2-NE2 3.28Å; W99-H297 HydrophobicContact CZ3-CB 4.02Å; W99-H297 AromaticContact NE1-CE1 3.95Å; W99-H297 AromaticContact NE1-NE2 3.5Å; W99-H297 PolarHBondContact NE1-NE2 3.38Å; H102-H297 AromaticContact CE1-ND1 3.71Å; H102-H297 AromaticContact CG-ND1 3.84Å; H102-H297 AromaticContact ND1-CG 3.65Å; H102-H297 AromaticContact ND1-ND1 2.95Å; H102-H297 PolarHBondContact ND1-ND1 3.24Å; E293-H297 VanDerWaalsContact O-CB 3.32Å; E293-H297 WeakPolarHBondContact O-CB 3.27Å; E293-H297 PolarHBondContact O-N 2.8Å; V294-H297 PolarHBondContact O-N 3.48Å; L295-H297 VanDerWaalsContact C-N 3.27Å; L295-H297 PolarHBondContact O-N 3.38Å; H297-R300 PolarHBondContact O-N 3.3Å; H297-M301 WeakPolarHBondContact O-CB 3.36Å; H297-M301 PolarHBondContact O-N 2.81Å
298	F	80.7	Confident	79	Confident	12 Å²	12	27.8 Å²	27.8	5%	0.053	14%	0.14	C	C	.	.	H	α-helix	trans	-68.2	-44.6	177.2	-92.7	32.5	0	0	0	112.4	V94 R95 V294 L295 A296 R300 M301 W302 L330 L333 F334	V94-F298 WeakPolarHBondContact O-CD1 3.27Å; V94-F298 WeakPolarHBondContact O-CE1 3.32Å; V94-F298 WeakPolarHBondContact O-CE2 3.04Å; V94-F298 WeakPolarHBondContact O-CZ 3.49Å; R95-F298 VanDerWaalsContact C-CE1 3.47Å; R95-F298 VanDerWaalsContact C-CZ 3.41Å; R95-F298 VanDerWaalsContact CA-CE1 3.42Å; V294-F298 HydrophobicContact CG1-CD1 4.4Å; V294-F298 PolarHBondContact O-N 3.16Å; L295-F298 WeakPolarHBondContact O-CB 3.4Å; L295-F298 PolarHBondContact O-N 3.28Å; A296-F298 VanDerWaalsContact C-N 3.33Å; A296-F298 PolarHBondContact O-N 3.32Å; F298-R300 VanDerWaalsContact C-N 3.32Å; F298-R300 PolarHBondContact O-N 3.08Å; F298-M301 HydrophobicContact CD1-CE 3.91Å; F298-M301 HydrophobicContact CD2-CE 4.2Å; F298-M301 HydrophobicContact CE1-CE 3.82Å; F298-M301 HydrophobicContact CE2-CE 4.23Å; F298-M301 HydrophobicContact CG-CE 4.04Å; F298-M301 HydrophobicContact CZ-CE 4Å; F298-M301 WeakPolarHBondContact O-CB 3.33Å; F298-M301 PolarHBondContact O-N 3.18Å; F298-M301 VanDerWaalsContact O-N 3.11Å; F298-W302 PolarHBondContact O-N 2.88Å; F298-L330 HydrophobicContact CB-CB 4.36Å; F298-L330 HydrophobicContact CB-CD1 4.06Å; F298-L330 HydrophobicContact CD2-CB 4.2Å; F298-L330 HydrophobicContact CD2-CD1 4.08Å; F298-L330 HydrophobicContact CG-CD1 4.27Å; F298-L330 WeakPolarHBondContact O-CD1 3.47Å; F298-L333 HydrophobicContact CD2-CD1 4.11Å; F298-L333 HydrophobicContact CE2-CD1 3.74Å; F298-F334 HydrophobicContact CB-CE2 4.3Å; F298-F334 HydrophobicContact CB-CZ 4.34Å; F298-F334 AromaticContact CD2-CE2 3.65Å; F298-F334 HydrophobicContact CD2-CE2 3.65Å; F298-F334 HydrophobicContact CD2-CZ 4.02Å; F298-F334 HydrophobicContact CE2-CE2 4.39Å; F298-F334 HydrophobicContact CG-CE2 4.16Å; F298-F334 HydrophobicContact CG-CZ 4.16Å
299	R	82.2	Confident	79.2	Confident	64 Å²	64	27 Å²	27	24%	0.242	14%	0.136	C	C	.	.	H	α-helix	trans	-59	-43.3	174.3	-70.3	180	171.4	-168.3	-5.2	111.8	I272 L295 A296 W302 T303 C328 D331	I272-R299 VanDerWaalsContact CG1-NH1 3.33Å; L295-R299 PolarHBondContact O-N 2.99Å; A296-R299 PolarHBondContact O-N 3.24Å; R299-W302 WeakPolarHBondContact O-CB 3.05Å; R299-W302 PolarHBondContact O-N 3.08Å; R299-T303 PolarHBondContact O-N 2.76Å; R299-T303 PolarHBondContact O-OG1 3.3Å; R299-C328 HydrophobicContact CG-CB 4.1Å; R299-D331 IonicContact CZ-OD1 3.97Å; R299-D331 IonicContact CZ-OD2 3.26Å; R299-D331 IonicContact NE-OD1 2.73Å; R299-D331 PolarHBondContact NE-OD1 2.97Å; R299-D331 IonicContact NE-OD2 3.77Å; R299-D331 PolarHBondContact NE-OD2 3.11Å; R299-D331 IonicContact NH2-OD1 2.72Å; R299-D331 IonicContact NH2-OD2 2.95Å; R299-D331 PolarHBondContact NH2-OD2 2.93Å
300	R	79.3	Confident	79.5	Confident	29 Å²	29	27.5 Å²	27.5	11%	0.109	14%	0.139	C	C	.	.	H	α-helix	trans	-64	-39.9	173.1	-70.4	178.6	-171.1	-172.1	0.3	112.5	H102 C263 D265 L268 A296 H297 F298 W302 T303 L304	H102-R300 HydrophobicContact CB-CB 3.51Å; H102-R300 PolarHBondContact NE2-NH1 2.9Å; C263-R300 PolarHBondContact O-NH1 3.34Å; D265-R300 PolarHBondContact O-NH2 3.43Å; L268-R300 HydrophobicContact CD2-CG 3.65Å; L268-R300 VanDerWaalsContact CD2-NE 3.27Å; A296-R300 WeakPolarHBondContact O-CG 3.4Å; A296-R300 PolarHBondContact O-N 3.16Å; H297-R300 PolarHBondContact O-N 3.3Å; F298-R300 VanDerWaalsContact C-N 3.32Å; F298-R300 PolarHBondContact O-N 3.08Å; R300-W302 VanDerWaalsContact C-N 3.28Å; R300-W302 PolarHBondContact O-N 3.38Å; R300-T303 PolarHBondContact O-N 3.07Å; R300-T303 PolarHBondContact O-OG1 2.92Å; R300-T303 VanDerWaalsContact O-OG1 3.08Å; R300-L304 HydrophobicContact CB-CD1 4.46Å; R300-L304 VanDerWaalsContact O-CB 3.23Å; R300-L304 WeakPolarHBondContact O-CB 3.48Å; R300-L304 VanDerWaalsContact O-CG 3.24Å; R300-L304 WeakPolarHBondContact O-CG 3.48Å; R300-L304 PolarHBondContact O-N 2.99Å
301	M	81.3	Confident	80	Confident	6 Å²	6	26.9 Å²	26.9	3%	0.03	14%	0.137	C	C	.	.	H	α-helix	trans	-62.3	-38.5	176.8	177.8	-174.1	64.6	0	0	112.2	S97 H102 L104 H297 F298 G306 L310 L330	S97-M301 WeakPolarHBondContact CB-SD 3.44Å; S97-M301 PolarHBondContact OG-SD 3.32Å; H102-M301 WeakPolarHBondContact O-CA 3.36Å; H102-M301 VanDerWaalsContact O-CB 3.28Å; H102-M301 WeakPolarHBondContact O-CB 3.49Å; L104-M301 HydrophobicContact CD2-CG 4.11Å; L104-M301 HydrophobicContact CD2-SD 3.47Å; L104-M301 WeakPolarHBondContact CD2-SD 3.3Å; L104-M301 HydrophobicContact CG-CG 3.98Å; L104-M301 HydrophobicContact CG-SD 4.03Å; H297-M301 WeakPolarHBondContact O-CB 3.36Å; H297-M301 PolarHBondContact O-N 2.81Å; F298-M301 HydrophobicContact CD1-CE 3.91Å; F298-M301 HydrophobicContact CD2-CE 4.2Å; F298-M301 HydrophobicContact CE1-CE 3.82Å; F298-M301 HydrophobicContact CE2-CE 4.23Å; F298-M301 HydrophobicContact CG-CE 4.04Å; F298-M301 HydrophobicContact CZ-CE 4Å; F298-M301 WeakPolarHBondContact O-CB 3.33Å; F298-M301 PolarHBondContact O-N 3.18Å; F298-M301 VanDerWaalsContact O-N 3.11Å; M301-G306 WeakPolarHBondContact O-CA 3.49Å; M301-G306 PolarHBondContact O-N 3.46Å; M301-L310 HydrophobicContact CE-CD1 4.12Å; M301-L330 HydrophobicContact CE-CD1 3.42Å; M301-L330 VanDerWaalsContact CE-CD1 3.42Å
302	W	83	Confident	80.3	Confident	24 Å²	24	27.8 Å²	27.8	9%	0.091	14%	0.142	C	C	.	.	I	π-helix	trans	-60.5	-53.8	174.4	-171	-100.4	0	0	0	111.6	F298 R299 R300 L304 G305 G306 D307 L310 P311 F317 M321 P329 L330	F298-W302 PolarHBondContact O-N 2.88Å; R299-W302 WeakPolarHBondContact O-CB 3.05Å; R299-W302 PolarHBondContact O-N 3.08Å; R300-W302 VanDerWaalsContact C-N 3.28Å; R300-W302 PolarHBondContact O-N 3.38Å; W302-L304 VanDerWaalsContact C-N 3.32Å; W302-L304 PolarHBondContact O-N 3.44Å; W302-G305 PolarHBondContact O-N 2.92Å; W302-G306 PolarHBondContact O-N 3.12Å; W302-D307 HydrophobicContact CZ2-CB 4.36Å; W302-D307 PolarHBondContact O-N 3.33Å; W302-D307 VanDerWaalsContact O-N 3.1Å; W302-L310 HydrophobicContact CE3-CB 4.35Å; W302-L310 HydrophobicContact CE3-CD1 3.77Å; W302-L310 HydrophobicContact CH2-CB 4.46Å; W302-L310 HydrophobicContact CZ3-CB 3.64Å; W302-L310 HydrophobicContact CZ3-CD1 3.9Å; W302-L310 HydrophobicContact CZ3-CG 4.42Å; W302-P311 HydrophobicContact CH2-CG 3.67Å; W302-P311 HydrophobicContact CZ2-CG 4.28Å; W302-F317 HydrophobicContact CH2-CB 4.03Å; W302-F317 HydrophobicContact CZ3-CB 4.37Å; W302-F317 HydrophobicContact CZ3-CD2 4.39Å; W302-F317 HydrophobicContact CZ3-CG 4.45Å; W302-M321 HydrophobicContact CH2-SD 4.23Å; W302-M321 HydrophobicContact CZ2-CG 4.44Å; W302-M321 HydrophobicContact CZ2-SD 3.63Å; W302-P329 HydrophobicContact CH2-CB 3.97Å; W302-P329 HydrophobicContact CH2-CG 3.78Å; W302-P329 HydrophobicContact CZ2-CB 4.18Å; W302-P329 HydrophobicContact CZ2-CG 3.49Å; W302-P329 VanDerWaalsContact CZ2-CG 3.49Å; W302-P329 HydrophobicContact CZ3-CB 4.37Å; W302-L330 HydrophobicContact CB-CD1 4.03Å; W302-L330 HydrophobicContact CD2-CG 4.46Å; W302-L330 HydrophobicContact CE3-CD1 3.88Å; W302-L330 HydrophobicContact CE3-CD2 4.3Å; W302-L330 HydrophobicContact CE3-CG 3.67Å; W302-L330 HydrophobicContact CZ3-CD2 4.43Å; W302-L330 HydrophobicContact CZ3-CG 4.21Å
303	T	83.7	Confident	80.6	Confident	101 Å²	101	27.1 Å²	27.1	62%	0.62	14%	0.138	S	C	*	.	I	π-helix	trans	-68.2	-30.6	-177.1	58.1	0	0	0	0	113	R299 R300 G305	R299-T303 PolarHBondContact O-N 2.76Å; R299-T303 PolarHBondContact O-OG1 3.3Å; R300-T303 PolarHBondContact O-N 3.07Å; R300-T303 PolarHBondContact O-OG1 2.92Å; R300-T303 VanDerWaalsContact O-OG1 3.08Å; T303-G305 VanDerWaalsContact C-N 3.27Å; T303-G305 PolarHBondContact O-N 3.36Å
304	L	82.8	Confident	80.8	Confident	62 Å²	62	29.2 Å²	29.2	33%	0.325	15%	0.146	S	C	.	.	I	π-helix	trans	-90.6	28.2	-179.5	-61.4	173.5	0	0	0	113.8	C101 H102 R103 R300 W302	C101-L304 VanDerWaalsContact O-CD1 3.32Å; C101-L304 WeakPolarHBondContact O-CD1 3.1Å; H102-L304 HydrophobicContact CB-CD1 3.96Å; R103-L304 HydrophobicContact CG-CB 3.85Å; R103-L304 HydrophobicContact CG-CD1 4.48Å; R300-L304 HydrophobicContact CB-CD1 4.46Å; R300-L304 VanDerWaalsContact O-CB 3.23Å; R300-L304 WeakPolarHBondContact O-CB 3.48Å; R300-L304 VanDerWaalsContact O-CG 3.24Å; R300-L304 WeakPolarHBondContact O-CG 3.48Å; R300-L304 PolarHBondContact O-N 2.99Å; W302-L304 VanDerWaalsContact C-N 3.32Å; W302-L304 PolarHBondContact O-N 3.44Å
305	G	78.6	Confident	80.9	Confident	5 Å²	5	31.8 Å²	31.8	5%	0.052	16%	0.163	C	C	.	.	I	π-helix	trans	119.6	-6.7	167.6	0	0	0	0	0	116.2	W302 T303 D307 K308	W302-G305 PolarHBondContact O-N 2.92Å; T303-G305 VanDerWaalsContact C-N 3.27Å; T303-G305 PolarHBondContact O-N 3.36Å; G305-D307 WeakPolarHBondContact CA-OD1 3.17Å; G305-D307 PolarHBondContact O-N 3.09Å; G305-K308 PolarHBondContact O-N 2.86Å
306	G	80	Confident	81	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	I	π-helix	trans	-62.7	-31.1	173.7	0	0	0	0	0	112.8	M301 W302 K308 I309 L310	M301-G306 WeakPolarHBondContact O-CA 3.49Å; M301-G306 PolarHBondContact O-N 3.46Å; W302-G306 PolarHBondContact O-N 3.12Å; G306-K308 PolarHBondContact O-N 2.83Å; G306-K308 VanDerWaalsContact O-N 3.13Å; G306-I309 PolarHBondContact O-N 3.19Å; G306-I309 VanDerWaalsContact O-N 3.09Å; G306-L310 WeakPolarHBondContact O-CB 3.45Å; G306-L310 WeakPolarHBondContact O-CG 3.17Å; G306-L310 PolarHBondContact O-N 3.3Å
307	D	82.9	Confident	81.3	Confident	53 Å²	53	34.1 Å²	34.1	28%	0.283	17%	0.172	S	C	.	.	H	α-helix	trans	-47.9	-35.2	175.3	66	-44.5	0	0	0	114.8	K108 W302 G305 P311	K108-D307 VanDerWaalsContact NZ-CG 3.29Å; K108-D307 IonicContact NZ-OD1 3.11Å; K108-D307 PolarHBondContact NZ-OD1 2.87Å; K108-D307 IonicContact NZ-OD2 2.72Å; K108-D307 PolarHBondContact NZ-OD2 3.09Å; W302-D307 HydrophobicContact CZ2-CB 4.36Å; W302-D307 PolarHBondContact O-N 3.33Å; W302-D307 VanDerWaalsContact O-N 3.1Å; G305-D307 WeakPolarHBondContact CA-OD1 3.17Å; G305-D307 PolarHBondContact O-N 3.09Å; D307-P311 WeakPolarHBondContact O-CD 3.47Å; D307-P311 WeakPolarHBondContact O-CG 3.49Å
308	K	82.1	Confident	81.4	Confident	111 Å²	111	37.8 Å²	37.8	48%	0.483	19%	0.19	S	C	.	.	H	α-helix	trans	-90.4	-22	-179.3	-69.9	-165	-169.4	174.3	0	114.4	K108 G305 G306 V312	K108-K308 HydrophobicContact CD-CD 4.22Å; K108-K308 HydrophobicContact CG-CB 4.37Å; K108-K308 HydrophobicContact CG-CD 4.13Å; G305-K308 PolarHBondContact O-N 2.86Å; G306-K308 PolarHBondContact O-N 2.83Å; G306-K308 VanDerWaalsContact O-N 3.13Å; K308-V312 WeakPolarHBondContact O-CG2 3.47Å
309	I	83.2	Confident	81.1	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-99.7	-46	-172.5	-59.2	175.3	0	0	0	110.2	L104 V106 V113 F203 L208 G306 V312 V313	L104-I309 HydrophobicContact CD1-CB 4.27Å; L104-I309 HydrophobicContact CD1-CD1 4.02Å; L104-I309 HydrophobicContact CD1-CG2 4.43Å; V106-I309 HydrophobicContact CB-CD1 4.28Å; V106-I309 HydrophobicContact CG1-CD1 4.34Å; V113-I309 HydrophobicContact CG1-CG1 3.86Å; V113-I309 HydrophobicContact CG2-CD1 3.81Å; V113-I309 HydrophobicContact CG2-CG1 3.99Å; F203-I309 HydrophobicContact CE1-CG2 4.12Å; F203-I309 HydrophobicContact CZ-CG2 4.24Å; L208-I309 HydrophobicContact CD2-CG2 4.48Å; G306-I309 PolarHBondContact O-N 3.19Å; G306-I309 VanDerWaalsContact O-N 3.09Å; I309-V312 PolarHBondContact O-N 3.41Å; I309-V313 HydrophobicContact CG2-CG2 4.33Å; I309-V313 WeakPolarHBondContact O-CG2 3.25Å; I309-V313 PolarHBondContact O-N 2.95Å
310	L	82.1	Confident	80.8	Confident	12 Å²	12	39.9 Å²	39.9	6%	0.063	20%	0.203	C	C	.	.	H	α-helix	trans	-70.2	-38.5	-168.9	-66.1	169	0	0	0	113.7	L104 M301 W302 G306 V312 V313 F314 F317 L330	L104-L310 HydrophobicContact CD1-CG 4.37Å; M301-L310 HydrophobicContact CE-CD1 4.12Å; W302-L310 HydrophobicContact CE3-CB 4.35Å; W302-L310 HydrophobicContact CE3-CD1 3.77Å; W302-L310 HydrophobicContact CH2-CB 4.46Å; W302-L310 HydrophobicContact CZ3-CB 3.64Å; W302-L310 HydrophobicContact CZ3-CD1 3.9Å; W302-L310 HydrophobicContact CZ3-CG 4.42Å; G306-L310 WeakPolarHBondContact O-CB 3.45Å; G306-L310 WeakPolarHBondContact O-CG 3.17Å; G306-L310 PolarHBondContact O-N 3.3Å; L310-V312 VanDerWaalsContact C-N 3.3Å; L310-V312 PolarHBondContact O-N 2.91Å; L310-V313 PolarHBondContact O-N 3.16Å; L310-F314 HydrophobicContact CD2-CD2 4.2Å; L310-F314 HydrophobicContact CD2-CE2 4.24Å; L310-F314 WeakPolarHBondContact O-CA 3.41Å; L310-F314 WeakPolarHBondContact O-CB 3.38Å; L310-F314 PolarHBondContact O-N 2.85Å; L310-F317 HydrophobicContact CB-CD2 4.08Å; L310-F317 HydrophobicContact CB-CE2 4.38Å; L310-L330 HydrophobicContact CD1-CD1 4.1Å; L310-L330 HydrophobicContact CD1-CD2 4.14Å
311	P	83.7	Confident	80.8	Confident	14 Å²	14	41.3 Å²	41.3	9%	0.091	21%	0.211	C	C	.	.	H	α-helix	trans	-62.4	-35.1	172.6	-25	34.7	0	0	0	113.8	W302 D307 F314 P315 Q318 M321	W302-P311 HydrophobicContact CH2-CG 3.67Å; W302-P311 HydrophobicContact CZ2-CG 4.28Å; D307-P311 WeakPolarHBondContact O-CD 3.47Å; D307-P311 WeakPolarHBondContact O-CG 3.49Å; P311-F314 CarbonylContact O-C 3.29Å; P311-F314 VanDerWaalsContact O-C 3.29Å; P311-P315 WeakPolarHBondContact O-CA 3.25Å; P311-Q318 HydrophobicContact CB-CB 4.37Å; P311-M321 HydrophobicContact CG-SD 4.4Å
312	V	83.4	Confident	80.7	Confident	29 Å²	29	45.9 Å²	45.9	18%	0.176	24%	0.236	C	C	.	.	H	α-helix	trans	-66.7	-43.3	179.8	178.5	0	0	0	0	110.4	L116 T117 M120 K308 I309 L310	L116-V312 HydrophobicContact CD2-CG1 4.01Å; L116-V312 HydrophobicContact CG-CG1 3.97Å; T117-V312 HydrophobicContact CG2-CG2 4.5Å; M120-V312 HydrophobicContact CB-CG1 3.92Å; M120-V312 HydrophobicContact CG-CG1 3.56Å; K308-V312 WeakPolarHBondContact O-CG2 3.47Å; I309-V312 PolarHBondContact O-N 3.41Å; L310-V312 VanDerWaalsContact C-N 3.3Å; L310-V312 PolarHBondContact O-N 2.91Å
313	V	79.6	Confident	80.2	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-76.8	-41.6	179.6	179.3	0	0	0	0	111.6	L116 I200 F203 L208 I309 L310 P315	L116-V313 HydrophobicContact CD2-CG2 3.65Å; I200-V313 HydrophobicContact CG2-CG1 4.07Å; F203-V313 HydrophobicContact CD1-CG2 4.01Å; F203-V313 HydrophobicContact CE1-CG2 3.95Å; L208-V313 HydrophobicContact CD1-CG1 4.1Å; L208-V313 HydrophobicContact CD1-CG2 4.13Å; I309-V313 HydrophobicContact CG2-CG2 4.33Å; I309-V313 WeakPolarHBondContact O-CG2 3.25Å; I309-V313 PolarHBondContact O-N 2.95Å; L310-V313 PolarHBondContact O-N 3.16Å; V313-P315 WeakPolarHBondContact O-CD 3.46Å
314	F	80	Confident	79.9	Confident	65 Å²	65	46.4 Å²	46.4	29%	0.285	24%	0.24	S	C	.	.			trans	-124.5	85.5	-176.6	-55.4	-73.3	0	0	0	109.6	L310 P311 M316 F317	L310-F314 HydrophobicContact CD2-CD2 4.2Å; L310-F314 HydrophobicContact CD2-CE2 4.24Å; L310-F314 WeakPolarHBondContact O-CA 3.41Å; L310-F314 WeakPolarHBondContact O-CB 3.38Å; L310-F314 PolarHBondContact O-N 2.85Å; P311-F314 CarbonylContact O-C 3.29Å; P311-F314 VanDerWaalsContact O-C 3.29Å; F314-M316 HydrophobicContact CB-CE 4.37Å; F314-M316 HydrophobicContact CB-CG 4.27Å; F314-M316 PolarHBondContact O-N 3.22Å; F314-F317 HydrophobicContact CB-CD2 3.58Å; F314-F317 HydrophobicContact CB-CE2 3.58Å; F314-F317 HydrophobicContact CD2-CD2 4.39Å; F314-F317 AromaticContact CD2-CE2 3.83Å; F314-F317 HydrophobicContact CD2-CE2 3.83Å; F314-F317 HydrophobicContact CG-CD2 4.38Å; F314-F317 AromaticContact CG-CE2 3.94Å; F314-F317 HydrophobicContact CG-CE2 3.94Å; F314-F317 PolarHBondContact O-N 2.8Å
315	P	78.8	Confident	79.6	Confident	54 Å²	54	48.3 Å²	48.3	35%	0.351	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-22.5	-178.1	-27.9	35.6	0	0	0	114.4	R196 P311 V313 F317 Q318	R196-P315 VanDerWaalsContact NH2-CG 3.31Å; P311-P315 WeakPolarHBondContact O-CA 3.25Å; V313-P315 WeakPolarHBondContact O-CD 3.46Å; P315-F317 PolarHBondContact O-N 3.34Å; P315-F317 VanDerWaalsContact O-N 3.14Å; P315-Q318 VanDerWaalsContact O-CB 3.31Å; P315-Q318 WeakPolarHBondContact O-CB 3.44Å; P315-Q318 PolarHBondContact O-N 3.09Å
316	M	79	Confident	79.5	Confident	64 Å²	64	57.3 Å²	57.3	32%	0.315	30%	0.297	S	S	.	.	H	α-helix	trans	-55	-30.3	174.9	70.3	-172.6	-169.2	0	0	113.2	F314 L333	F314-M316 HydrophobicContact CB-CE 4.37Å; F314-M316 HydrophobicContact CB-CG 4.27Å; F314-M316 PolarHBondContact O-N 3.22Å; M316-L333 HydrophobicContact CE-CD2 4.12Å
317	F	82.2	Confident	79.3	Confident	5 Å²	5	59.2 Å²	59.2	2%	0.022	31%	0.307	C	S	.	.	H	α-helix	trans	-74.1	-27.7	177.3	-62.7	-44.2	0	0	0	112.7	W302 L310 F314 P315 V320 M321 P329 L330 V332 L333	W302-F317 HydrophobicContact CH2-CB 4.03Å; W302-F317 HydrophobicContact CZ3-CB 4.37Å; W302-F317 HydrophobicContact CZ3-CD2 4.39Å; W302-F317 HydrophobicContact CZ3-CG 4.45Å; L310-F317 HydrophobicContact CB-CD2 4.08Å; L310-F317 HydrophobicContact CB-CE2 4.38Å; F314-F317 HydrophobicContact CB-CD2 3.58Å; F314-F317 HydrophobicContact CB-CE2 3.58Å; F314-F317 HydrophobicContact CD2-CD2 4.39Å; F314-F317 AromaticContact CD2-CE2 3.83Å; F314-F317 HydrophobicContact CD2-CE2 3.83Å; F314-F317 HydrophobicContact CG-CD2 4.38Å; F314-F317 AromaticContact CG-CE2 3.94Å; F314-F317 HydrophobicContact CG-CE2 3.94Å; F314-F317 PolarHBondContact O-N 2.8Å; P315-F317 PolarHBondContact O-N 3.34Å; P315-F317 VanDerWaalsContact O-N 3.14Å; F317-V320 PolarHBondContact O-N 2.9Å; F317-M321 WeakPolarHBondContact O-CG 3.35Å; F317-M321 PolarHBondContact O-N 3.49Å; F317-P329 HydrophobicContact CB-CB 3.75Å; F317-P329 HydrophobicContact CD1-CB 3.91Å; F317-P329 WeakPolarHBondContact CD1-O 3.46Å; F317-P329 HydrophobicContact CG-CB 4.13Å; F317-L330 HydrophobicContact CD2-CD2 4.46Å; F317-L330 HydrophobicContact CE1-CD2 3.94Å; F317-L330 HydrophobicContact CE2-CD2 3.86Å; F317-L330 HydrophobicContact CZ-CD2 3.57Å; F317-V332 HydrophobicContact CD1-CG2 4.31Å; F317-V332 HydrophobicContact CE1-CG2 3.99Å; F317-L333 HydrophobicContact CE1-CD2 4.3Å; F317-L333 HydrophobicContact CE1-CG 4.28Å; F317-L333 HydrophobicContact CZ-CD1 4.13Å; F317-L333 HydrophobicContact CZ-CD2 4.21Å; F317-L333 HydrophobicContact CZ-CG 4.29Å
318	Q	80.1	Confident	79.2	Confident	78 Å²	78	57.7 Å²	57.7	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-64.1	-46.6	175.9	-172.7	57.9	49.8	0	0	110.4	P311 P315 V320 M321 D322	P311-Q318 HydrophobicContact CB-CB 4.37Å; P315-Q318 VanDerWaalsContact O-CB 3.31Å; P315-Q318 WeakPolarHBondContact O-CB 3.44Å; P315-Q318 PolarHBondContact O-N 3.09Å; Q318-V320 VanDerWaalsContact C-N 3.27Å; Q318-V320 PolarHBondContact O-N 3.41Å; Q318-M321 WeakPolarHBondContact O-CA 3.19Å; Q318-M321 VanDerWaalsContact O-CB 3.32Å; Q318-M321 WeakPolarHBondContact O-CB 3.33Å; Q318-M321 PolarHBondContact O-N 3.33Å; Q318-D322 PolarHBondContact NE2-OD1 2.98Å; Q318-D322 PolarHBondContact O-N 2.94Å
319	H	74.1	Confident	79.3	Confident	111 Å²	111	52.5 Å²	52.5	51%	0.514	28%	0.277	S	S	.	.	H	α-helix	trans	-60.2	-35.5	178.2	-71.8	-36.2	0	0	0	113.7	M321 D322 V323	H319-M321 VanDerWaalsContact C-N 3.29Å; H319-M321 PolarHBondContact O-N 2.72Å; H319-D322 IonicContact ND1-OD2 3.03Å; H319-D322 PolarHBondContact ND1-OD2 3.31Å; H319-D322 PolarHBondContact O-N 3.4Å; H319-V323 WeakPolarHBondContact O-CG2 3.48Å; H319-V323 PolarHBondContact O-N 3.26Å; H319-V323 VanDerWaalsContact O-N 3.11Å
320	V	76.9	Confident	79.2	Confident	9 Å²	9	52.5 Å²	52.5	6%	0.055	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-39.1	174.9	178.6	0	0	0	0	110.8	T28 F317 Q318 V323 N324 P329 V332	T28-V320 HydrophobicContact CG2-CG1 3.87Å; F317-V320 PolarHBondContact O-N 2.9Å; Q318-V320 VanDerWaalsContact C-N 3.27Å; Q318-V320 PolarHBondContact O-N 3.41Å; V320-V323 PolarHBondContact O-N 3.44Å; V320-N324 PolarHBondContact O-N 3.49Å; V320-N324 VanDerWaalsContact O-N 3.08Å; V320-P329 HydrophobicContact CB-CB 4.13Å; V320-P329 HydrophobicContact CG1-CB 4.2Å; V320-V332 HydrophobicContact CG1-CG1 4.12Å; V320-V332 HydrophobicContact CG2-CG1 3.78Å
321	M	79.3	Confident	79.2	Confident	59 Å²	59	53.2 Å²	53.2	29%	0.291	28%	0.281	S	S	.	.	H	α-helix	trans	-67.5	-36.2	175.3	-61.7	174.7	64.4	0	0	112.5	W302 P311 F317 Q318 H319 V323 N324 S325 P329	W302-M321 HydrophobicContact CH2-SD 4.23Å; W302-M321 HydrophobicContact CZ2-CG 4.44Å; W302-M321 HydrophobicContact CZ2-SD 3.63Å; P311-M321 HydrophobicContact CG-SD 4.4Å; F317-M321 WeakPolarHBondContact O-CG 3.35Å; F317-M321 PolarHBondContact O-N 3.49Å; Q318-M321 WeakPolarHBondContact O-CA 3.19Å; Q318-M321 VanDerWaalsContact O-CB 3.32Å; Q318-M321 WeakPolarHBondContact O-CB 3.33Å; Q318-M321 PolarHBondContact O-N 3.33Å; H319-M321 VanDerWaalsContact C-N 3.29Å; H319-M321 PolarHBondContact O-N 2.72Å; M321-V323 VanDerWaalsContact C-N 3.3Å; M321-N324 CarbonylContact O-C 3.35Å; M321-S325 WeakPolarHBondContact O-CA 3.39Å; M321-S325 PolarHBondContact O-N 3.36Å; M321-P329 HydrophobicContact CG-CB 4.44Å; M321-P329 HydrophobicContact CG-CG 3.29Å; M321-P329 HydrophobicContact SD-CG 4.08Å
322	D	78.7	Confident	79.1	Confident	102 Å²	102	53.6 Å²	53.6	55%	0.545	28%	0.283	S	S	.	.	H	α-helix	trans	-66.7	-35.1	179.6	-56.3	-24.9	0	0	0	111.1	Q318 H319	Q318-D322 PolarHBondContact NE2-OD1 2.98Å; Q318-D322 PolarHBondContact O-N 2.94Å; H319-D322 IonicContact ND1-OD2 3.03Å; H319-D322 PolarHBondContact ND1-OD2 3.31Å; H319-D322 PolarHBondContact O-N 3.4Å
323	V	73.5	Confident	79	Confident	102 Å²	102	55.8 Å²	55.8	62%	0.618	29%	0.294	S	S	*	.	H	α-helix	trans	-71.8	-49.3	175	174.8	0	0	0	0	111	H319 V320 M321	H319-V323 WeakPolarHBondContact O-CG2 3.48Å; H319-V323 PolarHBondContact O-N 3.26Å; H319-V323 VanDerWaalsContact O-N 3.11Å; V320-V323 PolarHBondContact O-N 3.44Å; M321-V323 VanDerWaalsContact C-N 3.3Å
324	N	76.2	Confident	79	Confident	34 Å²	34	56.1 Å²	56.1	18%	0.182	30%	0.295	C	S	.	.			trans	-149.4	106.7	178.6	-174.3	-11.4	0	0	0	111.2	E30 V320 M321 K326 L327	E30-N324 VanDerWaalsContact CD-ND2 3.3Å; E30-N324 PolarHBondContact OE1-ND2 2.93Å; E30-N324 PolarHBondContact OE2-ND2 3.23Å; V320-N324 PolarHBondContact O-N 3.49Å; V320-N324 VanDerWaalsContact O-N 3.08Å; M321-N324 CarbonylContact O-C 3.35Å; N324-K326 PolarHBondContact O-N 3.23Å; N324-K326 WeakPolarHBondContact OD1-CB 3.5Å; N324-K326 PolarHBondContact OD1-N 3.46Å; N324-L327 HydrophobicContact CB-CD1 3.92Å; N324-L327 HydrophobicContact CB-CG 4.21Å; N324-L327 PolarHBondContact O-N 3.02Å
325	S	77.9	Confident	79	Confident	103 Å²	103	55.3 Å²	55.3	72%	0.72	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.5	-177.9	60.3	0	0	0	0	114.4	M321	M321-S325 WeakPolarHBondContact O-CA 3.39Å; M321-S325 PolarHBondContact O-N 3.36Å
326	K	75.7	Confident	78.9	Confident	194 Å²	194	55 Å²	55	84%	0.843	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-21.5	178.5	-62	-178.5	-179	176.8	0	113	N324	N324-K326 PolarHBondContact O-N 3.23Å; N324-K326 WeakPolarHBondContact OD1-CB 3.5Å; N324-K326 PolarHBondContact OD1-N 3.46Å
327	L	75.4	Confident	79.1	Confident	40 Å²	40	52.9 Å²	52.9	21%	0.209	28%	0.277	C	S	.	.	S	Bend	trans	-77	142.8	179.6	-73.3	172.9	0	0	0	110.7	T28 E30 N324 P329	T28-L327 HydrophobicContact CG2-CD1 4.3Å; E30-L327 HydrophobicContact CG-CD1 4.29Å; N324-L327 HydrophobicContact CB-CD1 3.92Å; N324-L327 HydrophobicContact CB-CG 4.21Å; N324-L327 PolarHBondContact O-N 3.02Å; L327-P329 VanDerWaalsContact O-CD 3.24Å; L327-P329 WeakPolarHBondContact O-CD 3.25Å
328	C	81.8	Confident	79.4	Confident	21 Å²	21	52.9 Å²	52.9	14%	0.142	28%	0.277	C	S	.	.			trans	-76.4	116.5	167.3	-175	0	0	0	0	108.5	R299 L330 D331	R299-C328 HydrophobicContact CG-CB 4.1Å; C328-L330 PolarHBondContact O-N 3.42Å; C328-D331 VanDerWaalsContact O-CB 3.26Å; C328-D331 WeakPolarHBondContact O-CB 3.15Å; C328-D331 PolarHBondContact O-N 3.18Å
329	P	83.8	Confident	79.9	Confident	1 Å²	1	51 Å²	51	1%	0.006	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-61.3	-22.7	-175.7	-28.2	39.3	0	0	0	114.1	W302 F317 V320 M321 L327 D331 V332	W302-P329 HydrophobicContact CH2-CB 3.97Å; W302-P329 HydrophobicContact CH2-CG 3.78Å; W302-P329 HydrophobicContact CZ2-CB 4.18Å; W302-P329 HydrophobicContact CZ2-CG 3.49Å; W302-P329 VanDerWaalsContact CZ2-CG 3.49Å; W302-P329 HydrophobicContact CZ3-CB 4.37Å; F317-P329 HydrophobicContact CB-CB 3.75Å; F317-P329 HydrophobicContact CD1-CB 3.91Å; F317-P329 WeakPolarHBondContact CD1-O 3.46Å; F317-P329 HydrophobicContact CG-CB 4.13Å; V320-P329 HydrophobicContact CB-CB 4.13Å; V320-P329 HydrophobicContact CG1-CB 4.2Å; M321-P329 HydrophobicContact CG-CB 4.44Å; M321-P329 HydrophobicContact CG-CG 3.29Å; M321-P329 HydrophobicContact SD-CG 4.08Å; L327-P329 VanDerWaalsContact O-CD 3.24Å; L327-P329 WeakPolarHBondContact O-CD 3.25Å; P329-D331 PolarHBondContact O-N 2.96Å; P329-V332 WeakPolarHBondContact O-CG2 3.34Å; P329-V332 PolarHBondContact O-N 3.21Å
330	L	82.3	Confident	80.6	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.016	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-69.1	-18.1	176.4	-68.6	-178.4	0	0	0	113.5	F298 M301 W302 L310 F317 C328 V332 L333 F334	F298-L330 HydrophobicContact CB-CB 4.36Å; F298-L330 HydrophobicContact CB-CD1 4.06Å; F298-L330 HydrophobicContact CD2-CB 4.2Å; F298-L330 HydrophobicContact CD2-CD1 4.08Å; F298-L330 HydrophobicContact CG-CD1 4.27Å; F298-L330 WeakPolarHBondContact O-CD1 3.47Å; M301-L330 HydrophobicContact CE-CD1 3.42Å; M301-L330 VanDerWaalsContact CE-CD1 3.42Å; W302-L330 HydrophobicContact CB-CD1 4.03Å; W302-L330 HydrophobicContact CD2-CG 4.46Å; W302-L330 HydrophobicContact CE3-CD1 3.88Å; W302-L330 HydrophobicContact CE3-CD2 4.3Å; W302-L330 HydrophobicContact CE3-CG 3.67Å; W302-L330 HydrophobicContact CZ3-CD2 4.43Å; W302-L330 HydrophobicContact CZ3-CG 4.21Å; L310-L330 HydrophobicContact CD1-CD1 4.1Å; L310-L330 HydrophobicContact CD1-CD2 4.14Å; F317-L330 HydrophobicContact CD2-CD2 4.46Å; F317-L330 HydrophobicContact CE1-CD2 3.94Å; F317-L330 HydrophobicContact CE2-CD2 3.86Å; F317-L330 HydrophobicContact CZ-CD2 3.57Å; C328-L330 PolarHBondContact O-N 3.42Å; L330-V332 PolarHBondContact O-N 3Å; L330-L333 HydrophobicContact CD2-CD1 3.97Å; L330-L333 WeakPolarHBondContact O-CB 3.49Å; L330-L333 WeakPolarHBondContact O-CG 3.44Å; L330-L333 PolarHBondContact O-N 2.93Å; L330-L333 VanDerWaalsContact O-N 3.11Å; L330-F334 VanDerWaalsContact O-CD2 3.29Å; L330-F334 WeakPolarHBondContact O-CD2 3.47Å
331	D	81.5	Confident	81.3	Confident	26 Å²	26	48 Å²	48	14%	0.139	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-63.3	-21.6	176.8	-67.2	-7.7	0	0	0	111.7	L295 R299 C328 P329 L333 F334	L295-D331 WeakPolarHBondContact CD1-OD1 3.32Å; R299-D331 IonicContact CZ-OD1 3.97Å; R299-D331 IonicContact CZ-OD2 3.26Å; R299-D331 IonicContact NE-OD1 2.73Å; R299-D331 PolarHBondContact NE-OD1 2.97Å; R299-D331 IonicContact NE-OD2 3.77Å; R299-D331 PolarHBondContact NE-OD2 3.11Å; R299-D331 IonicContact NH2-OD1 2.72Å; R299-D331 IonicContact NH2-OD2 2.95Å; R299-D331 PolarHBondContact NH2-OD2 2.93Å; C328-D331 VanDerWaalsContact O-CB 3.26Å; C328-D331 WeakPolarHBondContact O-CB 3.15Å; C328-D331 PolarHBondContact O-N 3.18Å; P329-D331 PolarHBondContact O-N 2.96Å; D331-L333 PolarHBondContact O-N 3.37Å; D331-F334 WeakPolarHBondContact O-CA 3.45Å; D331-F334 VanDerWaalsContact O-CB 3.23Å; D331-F334 WeakPolarHBondContact O-CB 3.27Å; D331-F334 PolarHBondContact O-N 2.93Å; D331-F334 VanDerWaalsContact O-O 3.11Å
332	V	81.7	Confident	81.8	Confident	23 Å²	23	45.2 Å²	45.2	14%	0.139	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-69.4	-15.2	176	-52.1	0	0	0	0	113.6	M26 T28 F317 V320 P329 L330 F334	M26-V332 HydrophobicContact CB-CB 3.88Å; M26-V332 HydrophobicContact CB-CG1 4.41Å; M26-V332 HydrophobicContact CB-CG2 4Å; M26-V332 HydrophobicContact CG-CG2 4.25Å; T28-V332 HydrophobicContact CG2-CG1 3.99Å; F317-V332 HydrophobicContact CD1-CG2 4.31Å; F317-V332 HydrophobicContact CE1-CG2 3.99Å; V320-V332 HydrophobicContact CG1-CG1 4.12Å; V320-V332 HydrophobicContact CG2-CG1 3.78Å; P329-V332 WeakPolarHBondContact O-CG2 3.34Å; P329-V332 PolarHBondContact O-N 3.21Å; L330-V332 PolarHBondContact O-N 3Å; V332-F334 PolarHBondContact O-N 3.35Å
333	L	80.4	Confident	82.3	Confident	75 Å²	75	40.6 Å²	40.6	39%	0.393	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-74.6	-7.5	171.3	-56.2	176.8	0	0	0	111.8	F298 M316 F317 L330 D331	F298-L333 HydrophobicContact CD2-CD1 4.11Å; F298-L333 HydrophobicContact CE2-CD1 3.74Å; M316-L333 HydrophobicContact CE-CD2 4.12Å; F317-L333 HydrophobicContact CE1-CD2 4.3Å; F317-L333 HydrophobicContact CE1-CG 4.28Å; F317-L333 HydrophobicContact CZ-CD1 4.13Å; F317-L333 HydrophobicContact CZ-CD2 4.21Å; F317-L333 HydrophobicContact CZ-CG 4.29Å; L330-L333 HydrophobicContact CD2-CD1 3.97Å; L330-L333 WeakPolarHBondContact O-CB 3.49Å; L330-L333 WeakPolarHBondContact O-CG 3.44Å; L330-L333 PolarHBondContact O-N 2.93Å; L330-L333 VanDerWaalsContact O-N 3.11Å; D331-L333 PolarHBondContact O-N 3.37Å
334	F	79.5	Confident	83	Confident	10 Å²	10	41.9 Å²	41.9	4%	0.044	21%	0.212	C	C	.	.	S	Bend	trans	-117.8	106.3	-170.4	-70.4	-107.2	0	0	0	108.5	T92 L93 L295 F298 L330 D331 V332 R336	T92-F334 VanDerWaalsContact CB-CA 3.49Å; T92-F334 VanDerWaalsContact CB-CD1 3.49Å; T92-F334 WeakPolarHBondContact O-CD1 3.4Å; T92-F334 WeakPolarHBondContact O-CE1 3.45Å; T92-F334 WeakPolarHBondContact OG1-CA 3.42Å; T92-F334 WeakPolarHBondContact OG1-CB 3.33Å; L93-F334 VanDerWaalsContact C-CE1 3.43Å; L295-F334 VanDerWaalsContact CA-CE1 3.5Å; L295-F334 HydrophobicContact CB-CD1 3.88Å; L295-F334 HydrophobicContact CB-CE1 3.53Å; L295-F334 HydrophobicContact CB-CZ 4.14Å; L295-F334 HydrophobicContact CD1-CB 4.27Å; L295-F334 HydrophobicContact CD1-CD1 3.63Å; L295-F334 HydrophobicContact CD1-CD2 3.8Å; L295-F334 HydrophobicContact CD1-CE1 3.83Å; L295-F334 HydrophobicContact CD1-CE2 3.99Å; L295-F334 HydrophobicContact CD1-CG 3.67Å; L295-F334 HydrophobicContact CD1-CZ 4.04Å; L295-F334 HydrophobicContact CG-CD1 4.25Å; L295-F334 HydrophobicContact CG-CE1 4.27Å; F298-F334 HydrophobicContact CB-CE2 4.3Å; F298-F334 HydrophobicContact CB-CZ 4.34Å; F298-F334 AromaticContact CD2-CE2 3.65Å; F298-F334 HydrophobicContact CD2-CE2 3.65Å; F298-F334 HydrophobicContact CD2-CZ 4.02Å; F298-F334 HydrophobicContact CE2-CE2 4.39Å; F298-F334 HydrophobicContact CG-CE2 4.16Å; F298-F334 HydrophobicContact CG-CZ 4.16Å; L330-F334 VanDerWaalsContact O-CD2 3.29Å; L330-F334 WeakPolarHBondContact O-CD2 3.47Å; D331-F334 WeakPolarHBondContact O-CA 3.45Å; D331-F334 VanDerWaalsContact O-CB 3.23Å; D331-F334 WeakPolarHBondContact O-CB 3.27Å; D331-F334 PolarHBondContact O-N 2.93Å; D331-F334 VanDerWaalsContact O-O 3.11Å; V332-F334 PolarHBondContact O-N 3.35Å; F334-R336 PolarHBondContact O-N 3.4Å
335	V	79.9	Confident	83.6	Confident	48 Å²	48	45.1 Å²	45.1	29%	0.291	22%	0.224	S	C	.	.			trans	-71.4	106	171.9	-169.2	0	0	0	0	108.5	L90 T92 V338	L90-V335 WeakPolarHBondContact CB-O 3.44Å; L90-V335 HydrophobicContact CD1-CB 4.4Å; L90-V335 HydrophobicContact CD1-CG1 3.85Å; T92-V335 HydrophobicContact CG2-CB 4.2Å; T92-V335 VanDerWaalsContact CG2-O 3.28Å; T92-V335 WeakPolarHBondContact CG2-O 3.36Å; T92-V335 PolarHBondContact OG1-N 2.96Å; T92-V335 VanDerWaalsContact OG1-N 3.14Å; T92-V335 PolarHBondContact OG1-O 3.22Å; T92-V335 VanDerWaalsContact OG1-O 3.07Å; V335-V338 HydrophobicContact CG1-CG2 3.55Å
336	R	78.3	Confident	84.2	Confident	48 Å²	48	40.2 Å²	40.2	18%	0.181	19%	0.19	C	C	.	.			trans	-94.8	-44.6	165.3	-73.5	177.9	172.7	-163.1	-5.9	111.2	E29 K89 L90 L295 F334	E29-R336 WeakPolarHBondContact OE2-CD 3.48Å; E29-R336 IonicContact OE2-CZ 3.42Å; E29-R336 IonicContact OE2-NE 3.28Å; E29-R336 IonicContact OE2-NH1 3.61Å; E29-R336 PolarHBondContact OE2-NH1 2.87Å; K89-R336 CarbonylContact C-O 3.59Å; K89-R336 WeakPolarHBondContact CA-O 3.43Å; L90-R336 VanDerWaalsContact CA-O 3.27Å; L90-R336 WeakPolarHBondContact CA-O 3.29Å; L90-R336 VanDerWaalsContact CB-O 3.27Å; L90-R336 WeakPolarHBondContact CB-O 3.32Å; L90-R336 PolarHBondContact N-O 3.27Å; L90-R336 VanDerWaalsContact O-CA 3.3Å; L90-R336 WeakPolarHBondContact O-CA 3.5Å; L295-R336 VanDerWaalsContact CD2-NH2 3.3Å; F334-R336 PolarHBondContact O-N 3.4Å
337	N	83.1	Confident	84.8	Confident	18 Å²	18	34.4 Å²	34.4	10%	0.096	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.3	178.9	-64.4	-30.9	0	0	0	109.9	E29 V32 H87 I88 K89	E29-N337 VanDerWaalsContact CG-ND2 3.35Å; E29-N337 WeakPolarHBondContact CG-ND2 3.42Å; V32-N337 HydrophobicContact CB-CB 4.06Å; V32-N337 HydrophobicContact CG1-CB 3.38Å; H87-N337 HydrophobicContact CB-CB 4.39Å; I88-N337 CarbonylContact O-C 3.56Å; I88-N337 VanDerWaalsContact O-CA 3.28Å; I88-N337 WeakPolarHBondContact O-CA 3.49Å; K89-N337 VanDerWaalsContact CA-OD1 3.29Å; K89-N337 WeakPolarHBondContact CA-OD1 3.19Å; K89-N337 WeakPolarHBondContact CB-OD1 3.17Å; K89-N337 WeakPolarHBondContact CG-OD1 3.41Å
338	V	87.7	Confident	85.4	Confident	6 Å²	6	34.5 Å²	34.5	4%	0.036	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116.8	171.1	167.3	0	0	0	0	109	H87 I88 L90 V335 F364 L367 L415 L418	H87-V338 CarbonylContact C-O 3.46Å; H87-V338 WeakPolarHBondContact CA-O 3.17Å; I88-V338 HydrophobicContact CB-CB 4.4Å; I88-V338 PolarHBondContact N-O 2.84Å; I88-V338 PolarHBondContact O-N 3.45Å; L90-V338 HydrophobicContact CD1-CB 4.35Å; L90-V338 HydrophobicContact CD1-CG2 3.32Å; L90-V338 HydrophobicContact CG-CG2 4.1Å; V335-V338 HydrophobicContact CG1-CG2 3.55Å; V338-F364 HydrophobicContact CG1-CD1 4.34Å; V338-F364 HydrophobicContact CG1-CE1 3.78Å; V338-L367 HydrophobicContact CG1-CD2 4.43Å; V338-L367 HydrophobicContact CG2-CD2 4.39Å; V338-L415 HydrophobicContact CG2-CD1 3.7Å; V338-L418 HydrophobicContact CG1-CD2 3.74Å
339	L	89.9	Confident	85.6	Confident	39 Å²	39	37 Å²	37	20%	0.204	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	133.2	168.7	-77.4	167.4	0	0	0	111	L27 V32 I35 F85 G86	L27-L339 HydrophobicContact CD1-CD1 3.49Å; L27-L339 VanDerWaalsContact CD1-CD1 3.49Å; V32-L339 HydrophobicContact CB-CG 4.36Å; V32-L339 HydrophobicContact CG1-CD2 3.76Å; V32-L339 HydrophobicContact CG1-CG 3.75Å; V32-L339 HydrophobicContact CG2-CD1 4.07Å; V32-L339 HydrophobicContact CG2-CG 4.03Å; I35-L339 HydrophobicContact CB-CD2 4.45Å; I35-L339 HydrophobicContact CG2-CD2 4.15Å; F85-L339 HydrophobicContact CB-CD2 4.06Å; F85-L339 HydrophobicContact CD1-CB 4.35Å; F85-L339 HydrophobicContact CD1-CD2 4.42Å; G86-L339 CarbonylContact O-C 3.53Å; G86-L339 WeakPolarHBondContact O-CA 3.38Å
340	V	90.3	Very high	85.7	Confident	2 Å²	2	43 Å²	43	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.2	176.3	-178.5	0	0	0	0	109	I40 L57 F85 G86 I88 F364	I40-V340 HydrophobicContact CD1-CB 3.61Å; I40-V340 HydrophobicContact CD1-CG1 3.65Å; I40-V340 HydrophobicContact CD1-CG2 3.71Å; L57-V340 HydrophobicContact CD2-CG1 4.06Å; F85-V340 WeakPolarHBondContact CD1-O 3.47Å; G86-V340 PolarHBondContact N-O 3.11Å; G86-V340 PolarHBondContact O-N 2.9Å; I88-V340 HydrophobicContact CD1-CG2 3.65Å; I88-V340 HydrophobicContact CG1-CG2 3.77Å; V340-F364 HydrophobicContact CB-CE1 4.42Å; V340-F364 HydrophobicContact CG1-CD1 4.38Å; V340-F364 HydrophobicContact CG1-CD2 4.14Å; V340-F364 HydrophobicContact CG1-CE1 4.43Å; V340-F364 HydrophobicContact CG1-CE2 4.22Å; V340-F364 HydrophobicContact CG1-CG 4.23Å; V340-F364 HydrophobicContact CG1-CZ 4.36Å; V340-F364 HydrophobicContact CG2-CD1 3.82Å; V340-F364 HydrophobicContact CG2-CE1 3.89Å; V340-F364 HydrophobicContact CG2-CG 4.4Å
341	M	90.5	Very high	85.8	Confident	53 Å²	53	48.8 Å²	48.8	26%	0.261	24%	0.242	S	C	.	.			trans	-61.6	143.1	-178.9	-57	-174.5	82.3	0	0	111.3	F85 F345 R346	F85-M341 HydrophobicContact CE1-CG 4.49Å; M341-F345 HydrophobicContact CB-CB 4.38Å; M341-F345 HydrophobicContact CE-CB 3.87Å; M341-F345 HydrophobicContact CE-CD2 4.49Å; M341-F345 HydrophobicContact CE-CG 4.21Å; M341-R346 HydrophobicContact CB-CG 4.37Å; M341-R346 VanDerWaalsContact O-CZ 3.22Å; M341-R346 PolarHBondContact O-NE 3.41Å; M341-R346 PolarHBondContact O-NH2 3.36Å
342	P	90.6	Very high	85.9	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	28%	0.28	C	S	.	.			trans	-56.2	154.7	175.2	-18.8	19.4	0	0	0	114	H84 F85 R344 F345 R346	H84-P342 WeakPolarHBondContact O-CG 3.39Å; F85-P342 HydrophobicContact CD2-CG 4.21Å; F85-P342 HydrophobicContact CE2-CG 4.23Å; F85-P342 HydrophobicContact CG-CG 4.46Å; P342-R344 PolarHBondContact O-N 2.89Å; P342-R344 VanDerWaalsContact O-N 3.11Å; P342-F345 HydrophobicContact CB-CD2 4.2Å; P342-F345 HydrophobicContact CG-CD2 3.93Å; P342-F345 HydrophobicContact CG-CE2 4.09Å; P342-F345 PolarHBondContact O-N 2.92Å; P342-R346 PolarHBondContact O-N 2.99Å
343	P	87.7	Confident	85.9	Confident	6 Å²	6	58.6 Å²	58.6	4%	0.039	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-50.6	-33.1	174.7	-31.2	37.2	0	0	0	114.9	Y58 F62 T65 F345 R346 P347	Y58-P343 HydrophobicContact CD1-CB 3.84Å; Y58-P343 HydrophobicContact CD1-CG 3.92Å; Y58-P343 HydrophobicContact CE1-CB 4.09Å; F62-P343 VanDerWaalsContact CB-CD 3.48Å; F62-P343 HydrophobicContact CB-CG 4.01Å; F62-P343 WeakPolarHBondContact O-CD 3.4Å; T65-P343 HydrophobicContact CG2-CB 4.1Å; T65-P343 HydrophobicContact CG2-CG 4.49Å; P343-F345 PolarHBondContact O-N 2.84Å; P343-R346 CarbonylContact O-C 3.21Å; P343-R346 WeakPolarHBondContact O-CA 3.46Å; P343-R346 PolarHBondContact O-N 2.96Å; P343-P347 VanDerWaalsContact O-N 3.12Å
344	R	88.5	Confident	86	Confident	128 Å²	128	63.9 Å²	63.9	48%	0.483	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-56	-32.5	176.4	-167.2	175.9	-161.7	173.8	7	113	A79 C81 P342	A79-R344 PolarHBondContact O-NH2 3.1Å; C81-R344 PolarHBondContact O-NH1 2.75Å; P342-R344 PolarHBondContact O-N 2.89Å; P342-R344 VanDerWaalsContact O-N 3.11Å
345	F	89.7	Confident	86.1	Confident	102 Å²	102	68 Å²	68	45%	0.447	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-96.8	-0.6	178	-55.9	-65.5	0	0	0	113.6	M341 P342 P343	M341-F345 HydrophobicContact CB-CB 4.38Å; M341-F345 HydrophobicContact CE-CB 3.87Å; M341-F345 HydrophobicContact CE-CD2 4.49Å; M341-F345 HydrophobicContact CE-CG 4.21Å; P342-F345 HydrophobicContact CB-CD2 4.2Å; P342-F345 HydrophobicContact CG-CD2 3.93Å; P342-F345 HydrophobicContact CG-CE2 4.09Å; P342-F345 PolarHBondContact O-N 2.92Å; P343-F345 PolarHBondContact O-N 2.84Å
346	R	90	Very high	86.3	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.345	C	S	.	.	S	Bend	trans	-135.8	54.9	176.1	-61.6	-173.3	-68.2	111.1	-0.6	110.5	L57 Y58 M341 P342 P343 N358 K360 T361	L57-R346 PolarHBondContact O-NH1 3.03Å; L57-R346 PolarHBondContact O-NH2 3.49Å; Y58-R346 VanDerWaalsContact CE1-O 3.23Å; Y58-R346 WeakPolarHBondContact CE1-O 3.36Å; Y58-R346 PolarHBondContact OH-O 2.83Å; M341-R346 HydrophobicContact CB-CG 4.37Å; M341-R346 VanDerWaalsContact O-CZ 3.22Å; M341-R346 PolarHBondContact O-NE 3.41Å; M341-R346 PolarHBondContact O-NH2 3.36Å; P342-R346 PolarHBondContact O-N 2.99Å; P343-R346 CarbonylContact O-C 3.21Å; P343-R346 WeakPolarHBondContact O-CA 3.46Å; P343-R346 PolarHBondContact O-N 2.96Å; R346-N358 HydrophobicContact CB-CB 4.12Å; R346-K360 HydrophobicContact CG-CB 4.04Å; R346-K360 HydrophobicContact CG-CD 4.16Å; R346-T361 PolarHBondContact NH1-OG1 2.79Å
347	P	89	Confident	86.6	Confident	72 Å²	72	70.8 Å²	70.8	47%	0.468	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-61	147.3	-174.8	26.8	-35.6	0	0	0	111.2	P343 N358	P343-P347 VanDerWaalsContact O-N 3.12Å; P347-N358 WeakPolarHBondContact O-CB 3.31Å; P347-N358 PolarHBondContact O-ND2 2.92Å; P347-N358 VanDerWaalsContact O-ND2 3.1Å
348	V	87.8	Confident	86.9	Confident	42 Å²	42	70.9 Å²	70.9	26%	0.255	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-65.5	133.6	169.2	-179.2	0	0	0	0	108.1	F46 Y58 K355	F46-V348 HydrophobicContact CE2-CG2 4.33Å; F46-V348 HydrophobicContact CZ-CG2 3.69Å; Y58-V348 HydrophobicContact CE1-CG2 4.13Å; Y58-V348 HydrophobicContact CE2-CG2 4.19Å; V348-K355 HydrophobicContact CG1-CB 3.97Å; V348-K355 HydrophobicContact CG1-CD 4.49Å; V348-K355 HydrophobicContact CG1-CG 4.32Å
349	I	85.7	Confident	86.8	Confident	75 Å²	75	73.7 Å²	73.7	39%	0.385	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.3	-178.5	-58	171	0	0	0	107.6	F356	I349-F356 HydrophobicContact CB-CB 4.4Å; I349-F356 PolarHBondContact N-O 2.93Å; I349-F356 PolarHBondContact O-N 2.87Å
350	E	85.2	Confident	86.8	Confident	126 Å²	126	74.3 Å²	74.3	59%	0.589	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.1	175.5	-169.4	159.6	-170.1	0	0	109.5	R354 K355	E350-R354 WeakPolarHBondContact CA-O 3.09Å; E350-K355 HydrophobicContact CG-CG 4.38Å
351	M	83.9	Confident	86.7	Confident	125 Å²	125	74.2 Å²	74.2	62%	0.616	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	120.3	-179.2	-161.3	179	-177.1	0	0	108.8	G353 R354 F356	M351-G353 VanDerWaalsContact C-N 3.28Å; M351-G353 PolarHBondContact O-N 3.11Å; M351-R354 PolarHBondContact N-O 3.46Å; M351-R354 PolarHBondContact O-N 2.93Å; M351-R354 VanDerWaalsContact O-N 3.07Å; M351-F356 HydrophobicContact CB-CD2 4.19Å; M351-F356 HydrophobicContact CB-CE2 3.99Å
352	M	84.6	Confident	86.6	Confident	190 Å²	190	74.3 Å²	74.3	94%	0.936	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	44	-176.7	-58.2	-162.3	174.5	0	0	113.6	R354	M352-R354 PolarHBondContact O-N 3.36Å
353	G	81.6	Confident	86.5	Confident	64 Å²	64	74.8 Å²	74.8	66%	0.66	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	-0.1	178.8	0	0	0	0	0	115.4	M351	M351-G353 VanDerWaalsContact C-N 3.28Å; M351-G353 PolarHBondContact O-N 3.11Å
354	R	81.9	Confident	86.6	Confident	186 Å²	186	75 Å²	75	70%	0.702	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.4	171.4	-67.1	-175.9	-178.5	-179.7	1.5	110.2	E350 M351 M352 F356	E350-R354 WeakPolarHBondContact CA-O 3.09Å; M351-R354 PolarHBondContact N-O 3.46Å; M351-R354 PolarHBondContact O-N 2.93Å; M351-R354 VanDerWaalsContact O-N 3.07Å; M352-R354 PolarHBondContact O-N 3.36Å; R354-F356 HydrophobicContact CB-CE2 3.71Å; R354-F356 HydrophobicContact CB-CZ 4.01Å; R354-F356 WeakPolarHBondContact O-CD2 3.27Å
355	K	81.7	Confident	86.7	Confident	97 Å²	97	71 Å²	71	42%	0.422	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.6	177.7	-67.6	-179	-178.9	177.3	0	110.2	V348 E350	V348-K355 HydrophobicContact CG1-CB 3.97Å; V348-K355 HydrophobicContact CG1-CD 4.49Å; V348-K355 HydrophobicContact CG1-CG 4.32Å; E350-K355 HydrophobicContact CG-CG 4.38Å
356	F	84.9	Confident	86.6	Confident	102 Å²	102	70.3 Å²	70.3	45%	0.447	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137.5	178	-62.8	-87.3	0	0	0	109.4	I349 M351 R354	I349-F356 HydrophobicContact CB-CB 4.4Å; I349-F356 PolarHBondContact N-O 2.93Å; I349-F356 PolarHBondContact O-N 2.87Å; M351-F356 HydrophobicContact CB-CD2 4.19Å; M351-F356 HydrophobicContact CB-CE2 3.99Å; R354-F356 HydrophobicContact CB-CE2 3.71Å; R354-F356 HydrophobicContact CB-CZ 4.01Å; R354-F356 WeakPolarHBondContact O-CD2 3.27Å
357	E	85.2	Confident	86.5	Confident	52 Å²	52	70.3 Å²	70.3	24%	0.243	35%	0.354	C	S	.	.			trans	-63.4	145.4	171.5	-66.5	179.3	161.3	0	0	109.9	S45 F46 K365	S45-E357 WeakPolarHBondContact CB-OE1 3.38Å; S45-E357 PolarHBondContact OG-OE1 3.31Å; F46-E357 HydrophobicContact CE2-CG 4.43Å; E357-K365 IonicContact OE1-NZ 3.31Å; E357-K365 PolarHBondContact OE1-NZ 3.31Å; E357-K365 IonicContact OE2-NZ 3.36Å; E357-K365 PolarHBondContact OE2-NZ 3.08Å
358	N	88.8	Confident	86.5	Confident	20 Å²	20	67.2 Å²	67.2	11%	0.107	33%	0.334	C	S	.	.			trans	-60.4	139.4	173.2	-165	-76.2	0	0	0	110.1	R346 P347 K360 T361 T362	R346-N358 HydrophobicContact CB-CB 4.12Å; P347-N358 WeakPolarHBondContact O-CB 3.31Å; P347-N358 PolarHBondContact O-ND2 2.92Å; P347-N358 VanDerWaalsContact O-ND2 3.1Å; N358-K360 PolarHBondContact O-N 3.09Å; N358-K360 WeakPolarHBondContact OD1-CB 3.4Å; N358-K360 PolarHBondContact OD1-N 3.37Å; N358-T361 WeakPolarHBondContact O-CA 3.45Å; N358-T361 VanDerWaalsContact O-CB 3.24Å; N358-T361 WeakPolarHBondContact O-CB 3.29Å; N358-T361 PolarHBondContact O-N 3.29Å; N358-T362 PolarHBondContact O-N 3.17Å; N358-T362 VanDerWaalsContact O-N 3.14Å; N358-T362 PolarHBondContact O-OG1 2.96Å
359	P	86.5	Confident	86.6	Confident	65 Å²	65	69 Å²	69	42%	0.422	34%	0.34	S	S	.	.	H	α-helix	trans	-52.6	-33.8	177.1	-28.9	34.7	0	0	0	114.1	T362 L363	P359-T362 WeakPolarHBondContact O-CB 3.44Å; P359-T362 PolarHBondContact O-N 3.43Å; P359-L363 PolarHBondContact O-N 3.22Å
360	K	88	Confident	86.7	Confident	52 Å²	52	69.3 Å²	69.3	23%	0.226	34%	0.336	C	S	.	.	H	α-helix	trans	-66.4	-39.6	174.5	-64.8	178.7	-178.7	177.3	0	112.1	R346 N358 T362 L363 F364	R346-K360 HydrophobicContact CG-CB 4.04Å; R346-K360 HydrophobicContact CG-CD 4.16Å; N358-K360 PolarHBondContact O-N 3.09Å; N358-K360 WeakPolarHBondContact OD1-CB 3.4Å; N358-K360 PolarHBondContact OD1-N 3.37Å; K360-T362 VanDerWaalsContact C-N 3.28Å; K360-T362 PolarHBondContact O-N 2.84Å; K360-L363 WeakPolarHBondContact O-CB 3.1Å; K360-L363 PolarHBondContact O-N 3.3Å; K360-F364 WeakPolarHBondContact O-CD2 3.02Å; K360-F364 PolarHBondContact O-N 2.84Å
361	T	89.6	Confident	86.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-40.2	176.1	-54.8	0	0	0	0	110.4	L57 Y58 R346 N358 L363 F364 K365	L57-T361 HydrophobicContact CB-CG2 3.91Å; L57-T361 HydrophobicContact CD1-CG2 3.75Å; L57-T361 HydrophobicContact CG-CG2 4.44Å; Y58-T361 HydrophobicContact CD2-CG2 4.4Å; Y58-T361 HydrophobicContact CE2-CG2 3.74Å; Y58-T361 PolarHBondContact OH-OG1 2.94Å; R346-T361 PolarHBondContact NH1-OG1 2.79Å; N358-T361 WeakPolarHBondContact O-CA 3.45Å; N358-T361 VanDerWaalsContact O-CB 3.24Å; N358-T361 WeakPolarHBondContact O-CB 3.29Å; N358-T361 PolarHBondContact O-N 3.29Å; T361-L363 VanDerWaalsContact C-N 3.27Å; T361-L363 PolarHBondContact O-N 2.88Å; T361-F364 PolarHBondContact O-N 3.25Å; T361-K365 WeakPolarHBondContact O-CB 3.3Å; T361-K365 PolarHBondContact O-N 2.88Å
362	T	87.9	Confident	86.7	Confident	55 Å²	55	62.3 Å²	62.3	34%	0.337	30%	0.304	S	S	.	.	H	α-helix	trans	-59.9	-36	176.3	-44.2	0	0	0	0	112.5	N358 P359 K360 R366	N358-T362 PolarHBondContact O-N 3.17Å; N358-T362 VanDerWaalsContact O-N 3.14Å; N358-T362 PolarHBondContact O-OG1 2.96Å; P359-T362 WeakPolarHBondContact O-CB 3.44Å; P359-T362 PolarHBondContact O-N 3.43Å; K360-T362 VanDerWaalsContact C-N 3.28Å; K360-T362 PolarHBondContact O-N 2.84Å; T362-R366 WeakPolarHBondContact O-CB 3.39Å; T362-R366 PolarHBondContact O-N 3.07Å
363	L	88.4	Confident	86.6	Confident	12 Å²	12	54.5 Å²	54.5	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-66.4	-47.5	174.8	-67.7	173.7	0	0	0	111.8	P359 K360 T361 K365 R366 L367 L418	P359-L363 PolarHBondContact O-N 3.22Å; K360-L363 WeakPolarHBondContact O-CB 3.1Å; K360-L363 PolarHBondContact O-N 3.3Å; T361-L363 VanDerWaalsContact C-N 3.27Å; T361-L363 PolarHBondContact O-N 2.88Å; L363-K365 VanDerWaalsContact C-N 3.33Å; L363-K365 PolarHBondContact O-N 3.31Å; L363-R366 PolarHBondContact O-N 3.48Å; L363-L367 PolarHBondContact O-N 3.42Å; L363-L418 HydrophobicContact CB-CD1 3.95Å; L363-L418 HydrophobicContact CD1-CD1 4.47Å
364	F	90.4	Very high	86.6	Confident	9 Å²	9	53.1 Å²	53.1	4%	0.039	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-40.4	175.9	-70.4	-65.8	0	0	0	112.2	L57 I88 V338 V340 K360 T361 L367 L368 L418	L57-F364 HydrophobicContact CD1-CB 4.07Å; L57-F364 HydrophobicContact CD2-CB 3.58Å; L57-F364 HydrophobicContact CD2-CG 4.38Å; I88-F364 HydrophobicContact CD1-CD1 4.24Å; V338-F364 HydrophobicContact CG1-CD1 4.34Å; V338-F364 HydrophobicContact CG1-CE1 3.78Å; V340-F364 HydrophobicContact CB-CE1 4.42Å; V340-F364 HydrophobicContact CG1-CD1 4.38Å; V340-F364 HydrophobicContact CG1-CD2 4.14Å; V340-F364 HydrophobicContact CG1-CE1 4.43Å; V340-F364 HydrophobicContact CG1-CE2 4.22Å; V340-F364 HydrophobicContact CG1-CG 4.23Å; V340-F364 HydrophobicContact CG1-CZ 4.36Å; V340-F364 HydrophobicContact CG2-CD1 3.82Å; V340-F364 HydrophobicContact CG2-CE1 3.89Å; V340-F364 HydrophobicContact CG2-CG 4.4Å; K360-F364 WeakPolarHBondContact O-CD2 3.02Å; K360-F364 PolarHBondContact O-N 2.84Å; T361-F364 PolarHBondContact O-N 3.25Å; F364-L367 WeakPolarHBondContact O-CB 3.42Å; F364-L367 PolarHBondContact O-N 2.84Å; F364-L368 WeakPolarHBondContact O-CB 3.46Å; F364-L368 PolarHBondContact O-N 3.5Å; F364-L418 HydrophobicContact CD1-CD1 4.02Å; F364-L418 HydrophobicContact CD1-CD2 4.18Å; F364-L418 HydrophobicContact CE1-CD1 3.71Å; F364-L418 HydrophobicContact CE1-CD2 3.65Å; F364-L418 HydrophobicContact CE1-CG 4.31Å; F364-L418 HydrophobicContact CE2-CD1 4.24Å; F364-L418 HydrophobicContact CG-CD1 4.41Å; F364-L418 HydrophobicContact CZ-CD1 3.83Å; F364-L418 HydrophobicContact CZ-CD2 4.35Å
365	K	89.4	Confident	86.3	Confident	44 Å²	44	47.3 Å²	47.3	19%	0.191	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-49.7	175.9	-177.8	172.2	-174.4	176.4	0	111.3	A43 L57 E357 T361 L363 L367 L368 E369	A43-K365 HydrophobicContact CB-CG 4.28Å; A43-K365 WeakPolarHBondContact O-CE 3.02Å; A43-K365 WeakPolarHBondContact O-CG 3.41Å; L57-K365 HydrophobicContact CD1-CB 3.68Å; E357-K365 IonicContact OE1-NZ 3.31Å; E357-K365 PolarHBondContact OE1-NZ 3.31Å; E357-K365 IonicContact OE2-NZ 3.36Å; E357-K365 PolarHBondContact OE2-NZ 3.08Å; T361-K365 WeakPolarHBondContact O-CB 3.3Å; T361-K365 PolarHBondContact O-N 2.88Å; L363-K365 VanDerWaalsContact C-N 3.33Å; L363-K365 PolarHBondContact O-N 3.31Å; K365-L367 VanDerWaalsContact C-N 3.31Å; K365-L367 PolarHBondContact O-N 3.35Å; K365-L368 PolarHBondContact O-N 3.1Å; K365-E369 HydrophobicContact CG-CG 4.5Å; K365-E369 WeakPolarHBondContact O-CG 3.46Å; K365-E369 PolarHBondContact O-N 2.72Å
366	R	87.9	Confident	86	Confident	88 Å²	88	43.9 Å²	43.9	33%	0.332	22%	0.218	S	C	.	.	H	α-helix	trans	-59.9	-41.6	176.6	-176.5	-179.4	-71.7	-178.8	-6.2	111.8	T362 L363 R370 A414 F427	T362-R366 WeakPolarHBondContact O-CB 3.39Å; T362-R366 PolarHBondContact O-N 3.07Å; L363-R366 PolarHBondContact O-N 3.48Å; R366-R370 WeakPolarHBondContact O-CB 3.42Å; R366-R370 VanDerWaalsContact O-CG 3.25Å; R366-R370 WeakPolarHBondContact O-CG 3.39Å; R366-R370 PolarHBondContact O-N 2.83Å; R366-R370 VanDerWaalsContact O-N 3.09Å; R366-A414 HydrophobicContact CG-CB 4.39Å; R366-F427 VanDerWaalsContact NH1-CB 3.33Å; R366-F427 PolarHBondContact NH1-O 3.16Å
367	L	89	Confident	85.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-47.5	175.9	178.6	67	0	0	0	111.2	I88 L90 V338 L363 F364 K365 R370 S371 F411 A414 L415 L418	I88-L367 HydrophobicContact CD1-CD2 4.4Å; L90-L367 HydrophobicContact CD2-CD1 4.41Å; L90-L367 HydrophobicContact CD2-CD2 4.26Å; L90-L367 HydrophobicContact CD2-CG 4.41Å; V338-L367 HydrophobicContact CG1-CD2 4.43Å; V338-L367 HydrophobicContact CG2-CD2 4.39Å; L363-L367 PolarHBondContact O-N 3.42Å; F364-L367 WeakPolarHBondContact O-CB 3.42Å; F364-L367 PolarHBondContact O-N 2.84Å; K365-L367 VanDerWaalsContact C-N 3.31Å; K365-L367 PolarHBondContact O-N 3.35Å; L367-R370 PolarHBondContact O-N 2.83Å; L367-S371 PolarHBondContact O-N 2.99Å; L367-F411 HydrophobicContact CD1-CD2 3.71Å; L367-F411 HydrophobicContact CD1-CE2 3.46Å; L367-F411 VanDerWaalsContact CD1-CE2 3.46Å; L367-F411 HydrophobicContact CD1-CZ 4.48Å; L367-F411 HydrophobicContact CG-CE2 4.2Å; L367-A414 HydrophobicContact CD1-CB 4.28Å; L367-L415 HydrophobicContact CD1-CB 3.85Å; L367-L415 HydrophobicContact CD1-CD1 4.2Å; L367-L415 HydrophobicContact CD2-CD1 4.13Å; L367-L418 HydrophobicContact CD2-CD2 4.49Å
368	L	88.5	Confident	84.9	Confident	8 Å²	8	38.3 Å²	38.3	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-67.8	-42.7	-178.3	-170.9	60.7	0	0	0	112.3	I40 S42 A43 I88 F364 K365 R370 S371 Q372	I40-L368 HydrophobicContact CG2-CD2 3.86Å; S42-L368 VanDerWaalsContact O-CD2 3.25Å; S42-L368 WeakPolarHBondContact O-CD2 3.29Å; A43-L368 HydrophobicContact CB-CB 4.4Å; A43-L368 HydrophobicContact CB-CD2 4.21Å; A43-L368 HydrophobicContact CB-CG 4.32Å; I88-L368 HydrophobicContact CG2-CD1 4.11Å; F364-L368 WeakPolarHBondContact O-CB 3.46Å; F364-L368 PolarHBondContact O-N 3.5Å; K365-L368 PolarHBondContact O-N 3.1Å; L368-R370 VanDerWaalsContact C-N 3.28Å; L368-R370 PolarHBondContact O-N 3.25Å; L368-S371 WeakPolarHBondContact O-CB 3.37Å; L368-S371 PolarHBondContact O-N 2.9Å; L368-Q372 WeakPolarHBondContact O-CG 3.27Å; L368-Q372 PolarHBondContact O-N 2.8Å
369	E	89.2	Confident	84.1	Confident	80 Å²	80	41.2 Å²	41.2	37%	0.374	21%	0.212	S	C	.	.	H	α-helix	trans	-58.5	-40	174.1	-72.4	177.6	168.7	0	0	111.8	A43 K365 A373	A43-E369 HydrophobicContact CB-CG 3.56Å; K365-E369 HydrophobicContact CG-CG 4.5Å; K365-E369 WeakPolarHBondContact O-CG 3.46Å; K365-E369 PolarHBondContact O-N 2.72Å; E369-A373 WeakPolarHBondContact O-CB 3.48Å; E369-A373 PolarHBondContact O-N 2.88Å
370	R	87.5	Confident	83.3	Confident	80 Å²	80	43.7 Å²	43.7	30%	0.302	22%	0.222	S	C	.	.	H	α-helix	trans	-72.6	-35.9	177.4	-67.6	-62.8	176.8	-177.6	-2.5	113	R366 L367 L368 A373 Y374 E407 F411 A414	R366-R370 WeakPolarHBondContact O-CB 3.42Å; R366-R370 VanDerWaalsContact O-CG 3.25Å; R366-R370 WeakPolarHBondContact O-CG 3.39Å; R366-R370 PolarHBondContact O-N 2.83Å; R366-R370 VanDerWaalsContact O-N 3.09Å; L367-R370 PolarHBondContact O-N 2.83Å; L368-R370 VanDerWaalsContact C-N 3.28Å; L368-R370 PolarHBondContact O-N 3.25Å; R370-A373 PolarHBondContact O-N 2.63Å; R370-Y374 WeakPolarHBondContact O-CB 3.41Å; R370-Y374 PolarHBondContact O-N 2.98Å; R370-E407 IonicContact NH1-OE1 2.66Å; R370-E407 IonicContact NH1-OE2 3.72Å; R370-E407 PolarHBondContact NH1-OE2 2.68Å; R370-F411 HydrophobicContact CB-CB 4.05Å; R370-F411 HydrophobicContact CB-CD2 4.25Å; R370-A414 HydrophobicContact CG-CB 4.35Å
371	S	85.9	Confident	82	Confident	19 Å²	19	46.9 Å²	46.9	13%	0.133	24%	0.237	C	C	.	.	H	α-helix	trans	-60.4	-50.5	171.9	-173	0	0	0	0	110.9	L367 L368 A373 Y374 V375	L367-S371 PolarHBondContact O-N 2.99Å; L368-S371 WeakPolarHBondContact O-CB 3.37Å; L368-S371 PolarHBondContact O-N 2.9Å; S371-A373 PolarHBondContact O-N 3.45Å; S371-Y374 WeakPolarHBondContact O-CB 3.49Å; S371-Y374 PolarHBondContact O-N 3.31Å; S371-V375 WeakPolarHBondContact O-CG2 3.48Å; S371-V375 PolarHBondContact O-N 2.53Å
372	Q	83.5	Confident	80.2	Confident	85 Å²	85	53 Å²	53	40%	0.397	28%	0.275	S	S	.	.	H	α-helix	trans	-62.2	-41.8	178	-70.2	176.8	-15.1	0	0	112.5	T41 L368 V375 S376	T41-Q372 PolarHBondContact O-NE2 2.94Å; L368-Q372 WeakPolarHBondContact O-CG 3.27Å; L368-Q372 PolarHBondContact O-N 2.8Å; Q372-V375 PolarHBondContact O-N 2.75Å; Q372-S376 PolarHBondContact O-N 2.79Å; Q372-S376 PolarHBondContact O-OG 2.78Å
373	A	82.4	Confident	78.3	Confident	27 Å²	27	54 Å²	54	22%	0.223	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-46.8	175.8	0	0	0	0	0	111.4	E369 R370 S371 V375 S376 V377	E369-A373 WeakPolarHBondContact O-CB 3.48Å; E369-A373 PolarHBondContact O-N 2.88Å; R370-A373 PolarHBondContact O-N 2.63Å; S371-A373 PolarHBondContact O-N 3.45Å; A373-V375 PolarHBondContact O-N 3.02Å; A373-S376 PolarHBondContact O-N 2.93Å; A373-S376 PolarHBondContact O-OG 3.01Å; A373-V377 WeakPolarHBondContact O-CG2 3.47Å; A373-V377 PolarHBondContact O-N 2.88Å; A373-V377 VanDerWaalsContact O-N 3.09Å
374	Y	82	Confident	76.2	Confident	34 Å²	34	60.3 Å²	60.3	13%	0.133	32%	0.32	C	S	.	.	H	α-helix	trans	-58.6	-48	175.2	173.2	-103.4	0	0	0	112	R370 S371 S376 V377 A378 C404 E407 F408	R370-Y374 WeakPolarHBondContact O-CB 3.41Å; R370-Y374 PolarHBondContact O-N 2.98Å; S371-Y374 WeakPolarHBondContact O-CB 3.49Å; S371-Y374 PolarHBondContact O-N 3.31Å; Y374-S376 VanDerWaalsContact C-N 3.33Å; Y374-S376 PolarHBondContact O-N 2.78Å; Y374-V377 PolarHBondContact O-N 2.85Å; Y374-A378 VanDerWaalsContact O-CB 3.26Å; Y374-A378 WeakPolarHBondContact O-CB 3.38Å; Y374-A378 PolarHBondContact O-N 3.29Å; Y374-C404 WeakPolarHBondContact CE2-SG 3.48Å; Y374-E407 HydrophobicContact CD2-CB 4.42Å; Y374-F408 HydrophobicContact CD2-CB 3.86Å; Y374-F408 HydrophobicContact CD2-CD2 4.42Å; Y374-F408 HydrophobicContact CE2-CB 3.68Å; Y374-F408 HydrophobicContact CE2-CD2 4.01Å; Y374-F408 HydrophobicContact CE2-CG 4.29Å
375	V	76.1	Confident	73.6	Confident	64 Å²	64	68 Å²	68	39%	0.388	36%	0.356	S	S	.	.	H	α-helix	trans	-60.1	-42.6	178.1	172.8	0	0	0	0	111.5	S371 Q372 A373 V377 A378 N379	S371-V375 WeakPolarHBondContact O-CG2 3.48Å; S371-V375 PolarHBondContact O-N 2.53Å; Q372-V375 PolarHBondContact O-N 2.75Å; A373-V375 PolarHBondContact O-N 3.02Å; V375-V377 PolarHBondContact O-N 2.71Å; V375-A378 PolarHBondContact O-N 2.72Å; V375-N379 WeakPolarHBondContact O-CB 3.41Å; V375-N379 PolarHBondContact O-N 3.04Å
376	S	75.6	Confident	71.2	Confident	25 Å²	25	74.7 Å²	74.7	18%	0.175	39%	0.386	C	S	.	.	H	α-helix	trans	-63.1	-43.7	179.1	67.4	0	0	0	0	112.9	Q372 A373 Y374 N380 E381	Q372-S376 PolarHBondContact O-N 2.79Å; Q372-S376 PolarHBondContact O-OG 2.78Å; A373-S376 PolarHBondContact O-N 2.93Å; A373-S376 PolarHBondContact O-OG 3.01Å; Y374-S376 VanDerWaalsContact C-N 3.33Å; Y374-S376 PolarHBondContact O-N 2.78Å; S376-N380 PolarHBondContact O-N 2.75Å; S376-N380 VanDerWaalsContact O-N 3.16Å; S376-E381 PolarHBondContact O-N 2.73Å
377	V	75.6	Confident	68.4	Low	33 Å²	33	80.5 Å²	80.5	20%	0.2	41%	0.413	C	S	.	.	H	α-helix	trans	-67.9	-40.9	177.3	174.7	0	0	0	0	110.7	A373 Y374 V375 N380 E403 C404 E407	A373-V377 WeakPolarHBondContact O-CG2 3.47Å; A373-V377 PolarHBondContact O-N 2.88Å; A373-V377 VanDerWaalsContact O-N 3.09Å; Y374-V377 PolarHBondContact O-N 2.85Å; V375-V377 PolarHBondContact O-N 2.71Å; V377-N380 PolarHBondContact O-N 3.2Å; V377-E403 HydrophobicContact CG1-CB 4.17Å; V377-C404 HydrophobicContact CG1-CB 4.09Å; V377-E407 HydrophobicContact CG2-CG 4.35Å
378	A	71.6	Confident	65.6	Low	4 Å²	4	83.4 Å²	83.4	3%	0.033	44%	0.444	C	S	.	.	H	α-helix	trans	-62	-51.9	177	0	0	0	0	0	110.1	I276 Y374 V375 N380 R400	I276-A378 HydrophobicContact CD1-CB 3.49Å; I276-A378 VanDerWaalsContact CD1-CB 3.49Å; I276-A378 WeakPolarHBondContact CD1-O 3.36Å; I276-A378 HydrophobicContact CG1-CB 4.36Å; Y374-A378 VanDerWaalsContact O-CB 3.26Å; Y374-A378 WeakPolarHBondContact O-CB 3.38Å; Y374-A378 PolarHBondContact O-N 3.29Å; V375-A378 PolarHBondContact O-N 2.72Å; A378-N380 PolarHBondContact O-N 3.06Å; A378-N380 VanDerWaalsContact O-N 3.16Å; A378-R400 PolarHBondContact O-NH2 3.41Å
379	N	71.9	Confident	62.7	Low	82 Å²	82	95 Å²	95	44%	0.439	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	1.5	-177	-72.1	-10.6	0	0	0	114.6	I276 V375 E381	I276-N379 VanDerWaalsContact CD1-OD1 3.26Å; I276-N379 WeakPolarHBondContact CD1-OD1 3.46Å; V375-N379 WeakPolarHBondContact O-CB 3.41Å; V375-N379 PolarHBondContact O-N 3.04Å; N379-E381 HydrophobicContact CB-CG 4.04Å; N379-E381 PolarHBondContact O-N 3.07Å
380	N	69.4	Low	59.8	Low	117 Å²	117	102.2 Å²	102.2	63%	0.626	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	26.6	-177.3	-118.4	19.3	0	0	0	113.1	S376 V377 A378 R400	S376-N380 PolarHBondContact O-N 2.75Å; S376-N380 VanDerWaalsContact O-N 3.16Å; V377-N380 PolarHBondContact O-N 3.2Å; A378-N380 PolarHBondContact O-N 3.06Å; A378-N380 VanDerWaalsContact O-N 3.16Å; N380-R400 PolarHBondContact OD1-NE 2.89Å
381	E	61	Low	57.3	Low	118 Å²	118	102.6 Å²	102.6	55%	0.551	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-81.2	121.6	176	-69.3	176.2	-168.9	0	0	109	S376 N379 P383	S376-E381 PolarHBondContact O-N 2.73Å; N379-E381 HydrophobicContact CB-CG 4.04Å; N379-E381 PolarHBondContact O-N 3.07Å; E381-P383 WeakPolarHBondContact O-CD 3.43Å
382	V	51.7	Low	54.8	Low	130 Å²	130	106.2 Å²	106.2	79%	0.788	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-61.1	122.8	174.3	-177.4	0	0	0	0	107.6	V384	V382-V384 PolarHBondContact O-N 3.13Å; V382-V384 VanDerWaalsContact O-N 3.08Å
383	P	47.7	Very low	52.6	Low	74 Å²	74	109.4 Å²	109.4	48%	0.481	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-59.4	122.5	-178.3	20.8	-30.2	0	0	0	109	E381 Q385	E381-P383 WeakPolarHBondContact O-CD 3.43Å; P383-Q385 PolarHBondContact O-N 3.21Å
384	V	43.5	Very low	50.4	Low	145 Å²	145	118.4 Å²	118.4	88%	0.879	62%	0.616	S	S	*	*			trans	-52	115.7	173.2	179.3	0	0	0	0	107.3	V382 K386	V382-V384 PolarHBondContact O-N 3.13Å; V382-V384 VanDerWaalsContact O-N 3.08Å; V384-K386 PolarHBondContact O-N 3.22Å
385	Q	36.4	Very low	48.3	Very low	170 Å²	170	119.6 Å²	119.6	79%	0.794	64%	0.638	S	S	*	*			trans	-48.1	114.2	-167.6	-68.5	178.4	-4.6	0	0	112.2	P383 K387	P383-Q385 PolarHBondContact O-N 3.21Å; Q385-K387 PolarHBondContact O-N 2.98Å; Q385-K387 VanDerWaalsContact O-N 3.1Å
386	K	37.8	Very low	47.2	Very low	186 Å²	186	122 Å²	122	81%	0.809	65%	0.653	S	S	*	*			trans	-67.6	104.4	155.5	-85.4	-177.9	176	174.5	0	107.5	V384 G388	V384-K386 PolarHBondContact O-N 3.22Å; K386-G388 PolarHBondContact O-N 3.48Å
387	K	29.7	Very low	46.2	Very low	209 Å²	209	131 Å²	131	91%	0.909	69%	0.689	S	S	*	*	S	Bend	trans	-56.4	100.4	163	-76.9	-176.6	175.7	179.9	0	108.3	Q385	Q385-K387 PolarHBondContact O-N 2.98Å; Q385-K387 VanDerWaalsContact O-N 3.1Å
388	G	29.3	Very low	45.5	Very low	62 Å²	62	133 Å²	133	64%	0.639	70%	0.696	S	S	*	*	S	Bend	trans	143.2	103.4	170.7	0	0	0	0	0	114.2	K386	K386-G388 PolarHBondContact O-N 3.48Å
389	R	28.2	Very low	45.6	Very low	252 Å²	252	135.2 Å²	135.2	95%	0.951	71%	0.711	S	S	*	*			trans	49.5	84.4	163	-73.7	-179.7	169.1	172.4	-3.3	116.2
390	R	29.8	Very low	45.5	Very low	230 Å²	230	136.3 Å²	136.3	87%	0.868	71%	0.709	S	S	*	*			trans	-98	110.4	139.6	-81.5	-174.8	170.8	-176.5	-3.3	107.5	A392	R390-A392 PolarHBondContact O-N 3.44Å
391	A	33.6	Very low	45.6	Very low	88 Å²	88	134.2 Å²	134.2	73%	0.727	70%	0.695	S	S	*	*			trans	-57.8	120.4	160	0	0	0	0	0	106.8	N393	A391-N393 PolarHBondContact O-N 2.85Å
392	A	34	Very low	46.3	Very low	95 Å²	95	132.7 Å²	132.7	79%	0.785	69%	0.688	S	S	*	*			trans	-67.4	84.9	173.8	0	0	0	0	0	108.7	R390 K394	R390-A392 PolarHBondContact O-N 3.44Å; A392-K394 PolarHBondContact O-N 2.91Å; A392-K394 VanDerWaalsContact O-N 3.08Å
393	N	36.7	Very low	47.6	Very low	152 Å²	152	131 Å²	131	81%	0.813	67%	0.671	S	S	*	*			trans	-71.7	100.9	163.6	-94.9	1.7	0	0	0	107.6	A391 G395	A391-N393 PolarHBondContact O-N 2.85Å; N393-G395 VanDerWaalsContact C-N 3.29Å; N393-G395 PolarHBondContact O-N 3.28Å
394	K	36.6	Very low	49	Very low	217 Å²	217	127.5 Å²	127.5	94%	0.943	65%	0.649	S	S	*	*			trans	-61.2	91.3	158.8	-73.5	177.8	174.8	178.1	0	107.8	A392	A392-K394 PolarHBondContact O-N 2.91Å; A392-K394 VanDerWaalsContact O-N 3.08Å
395	G	38.3	Very low	50.6	Low	58 Å²	58	122.6 Å²	122.6	60%	0.598	62%	0.617	S	S	*	*			trans	-165.4	116.6	176.7	0	0	0	0	0	111	N393	N393-G395 VanDerWaalsContact C-N 3.29Å; N393-G395 PolarHBondContact O-N 3.28Å
396	V	51.8	Low	52.8	Low	115 Å²	115	119.1 Å²	119.1	70%	0.697	60%	0.6	S	S	*	*			trans	44.9	105.7	169.8	-168	0	0	0	0	115.4	H398	V396-H398 PolarHBondContact O-N 3.38Å
397	K	54.7	Low	54.9	Low	214 Å²	214	112.6 Å²	112.6	93%	0.93	57%	0.573	S	S	*	*			trans	-62.7	101.8	165.2	-79.9	-176.1	175.2	-178.4	0	108.2
398	H	61.7	Low	57.4	Low	75 Å²	75	103.5 Å²	103.5	35%	0.347	53%	0.533	S	S	.	.			trans	-66.7	143.7	171	-75.8	-61.1	0	0	0	109.7	V396 E402 E403	V396-H398 PolarHBondContact O-N 3.38Å; H398-E402 HydrophobicContact CB-CB 4.22Å; H398-E402 IonicContact CE1-OE2 3.73Å; H398-E402 IonicContact CG-OE2 3.67Å; H398-E402 IonicContact ND1-OE2 3.32Å; H398-E402 PolarHBondContact ND1-OE2 2.77Å; H398-E403 HydrophobicContact CB-CG 3.72Å
399	S	73.5	Confident	59.9	Low	50 Å²	50	102.1 Å²	102.1	35%	0.35	51%	0.511	S	S	.	.			trans	-63.4	151.5	169.5	-175.5	0	0	0	0	109.2	E401 E402 E403	S399-E401 PolarHBondContact O-N 3.05Å; S399-E401 PolarHBondContact OG-OE2 3.3Å; S399-E402 PolarHBondContact N-OE2 3.07Å; S399-E402 WeakPolarHBondContact O-CA 3.28Å; S399-E402 WeakPolarHBondContact O-CB 3.31Å; S399-E402 PolarHBondContact O-N 3.06Å; S399-E403 PolarHBondContact O-N 3.24Å
400	R	71.1	Confident	62.5	Low	105 Å²	105	90.7 Å²	90.7	40%	0.396	47%	0.47	S	S	.	.	H	α-helix	trans	-52.2	-39.4	173.7	177.4	-178.4	168.5	-145.7	1.3	111.5	A378 N380 E402 E403 C404	A378-R400 PolarHBondContact O-NH2 3.41Å; N380-R400 PolarHBondContact OD1-NE 2.89Å; R400-E402 VanDerWaalsContact C-N 3.31Å; R400-E402 PolarHBondContact O-N 2.69Å; R400-E403 PolarHBondContact O-N 3.14Å; R400-C404 VanDerWaalsContact O-CB 3.28Å; R400-C404 WeakPolarHBondContact O-CB 3.43Å; R400-C404 PolarHBondContact O-N 2.91Å
401	E	71.2	Confident	65.2	Low	74 Å²	74	80 Å²	80	35%	0.346	43%	0.43	S	S	.	.	H	α-helix	trans	-64.9	-36.4	177.9	-56.3	103.3	-164.5	0	0	112.1	I281 S399 H405	I281-E401 HydrophobicContact CD1-CB 4.4Å; I281-E401 HydrophobicContact CG1-CB 4.46Å; S399-E401 PolarHBondContact O-N 3.05Å; S399-E401 PolarHBondContact OG-OE2 3.3Å; E401-H405 VanDerWaalsContact O-CB 3.27Å; E401-H405 WeakPolarHBondContact O-CB 3.45Å; E401-H405 PolarHBondContact O-N 2.74Å
402	E	75.6	Confident	67.6	Low	86 Å²	86	77.1 Å²	77.1	40%	0.402	40%	0.401	S	S	.	.	H	α-helix	trans	-68.9	-44	177.4	-66.4	-177.4	163.7	0	0	111.3	H398 S399 R400 H405 Q406	H398-E402 HydrophobicContact CB-CB 4.22Å; H398-E402 IonicContact CE1-OE2 3.73Å; H398-E402 IonicContact CG-OE2 3.67Å; H398-E402 IonicContact ND1-OE2 3.32Å; H398-E402 PolarHBondContact ND1-OE2 2.77Å; S399-E402 PolarHBondContact N-OE2 3.07Å; S399-E402 WeakPolarHBondContact O-CA 3.28Å; S399-E402 WeakPolarHBondContact O-CB 3.31Å; S399-E402 PolarHBondContact O-N 3.06Å; R400-E402 VanDerWaalsContact C-N 3.31Å; R400-E402 PolarHBondContact O-N 2.69Å; E402-H405 PolarHBondContact O-N 3.12Å; E402-Q406 VanDerWaalsContact O-CG 3.28Å; E402-Q406 WeakPolarHBondContact O-CG 3.46Å; E402-Q406 PolarHBondContact O-N 3.17Å
403	E	78.3	Confident	70.1	Confident	93 Å²	93	73.2 Å²	73.2	44%	0.435	37%	0.367	S	S	.	.	H	α-helix	trans	-62.8	-46.5	176.8	-68	-172.3	175.3	0	0	111.4	V377 H398 S399 R400 H405 Q406 E407	V377-E403 HydrophobicContact CG1-CB 4.17Å; H398-E403 HydrophobicContact CB-CG 3.72Å; S399-E403 PolarHBondContact O-N 3.24Å; R400-E403 PolarHBondContact O-N 3.14Å; E403-H405 VanDerWaalsContact C-N 3.28Å; E403-H405 PolarHBondContact O-N 3.43Å; E403-Q406 PolarHBondContact O-N 2.98Å; E403-E407 PolarHBondContact O-N 3.14Å
404	C	76.5	Confident	72.4	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.014	33%	0.33	C	S	.	.	H	α-helix	trans	-58.1	-42.9	175.8	-171.1	0	0	0	0	111.1	M278 Y374 V377 R400 E407 F408	M278-C404 HydrophobicContact SD-CB 3.93Å; Y374-C404 WeakPolarHBondContact CE2-SG 3.48Å; V377-C404 HydrophobicContact CG1-CB 4.09Å; R400-C404 VanDerWaalsContact O-CB 3.28Å; R400-C404 WeakPolarHBondContact O-CB 3.43Å; R400-C404 PolarHBondContact O-N 2.91Å; C404-E407 PolarHBondContact O-N 3.28Å; C404-F408 WeakPolarHBondContact O-CB 3.46Å; C404-F408 PolarHBondContact O-N 3.23Å
405	H	78.2	Confident	74.9	Confident	42 Å²	42	56.1 Å²	56.1	19%	0.194	29%	0.287	C	S	.	.	H	α-helix	trans	-65.8	-41	177	-179.7	46.1	0	0	0	113.1	I281 L288 E401 E402 E403 F408 L409	I281-H405 HydrophobicContact CD1-CB 3.69Å; L288-H405 WeakPolarHBondContact CD2-CE1 3.28Å; L288-H405 WeakPolarHBondContact CD2-ND1 3.41Å; E401-H405 VanDerWaalsContact O-CB 3.27Å; E401-H405 WeakPolarHBondContact O-CB 3.45Å; E401-H405 PolarHBondContact O-N 2.74Å; E402-H405 PolarHBondContact O-N 3.12Å; E403-H405 VanDerWaalsContact C-N 3.28Å; E403-H405 PolarHBondContact O-N 3.43Å; H405-F408 PolarHBondContact O-N 3.43Å; H405-L409 VanDerWaalsContact NE2-CD1 3.28Å; H405-L409 WeakPolarHBondContact NE2-CD1 3.48Å; H405-L409 WeakPolarHBondContact O-CB 3.49Å; H405-L409 WeakPolarHBondContact O-CG 3.28Å; H405-L409 PolarHBondContact O-N 3.45Å
406	Q	82.5	Confident	77.2	Confident	96 Å²	96	54.6 Å²	54.6	45%	0.449	27%	0.265	S	S	.	.	H	α-helix	trans	-62.7	-43	176.8	-74	176.7	19.8	0	0	111.6	E402 E403 L409 A410	E402-Q406 VanDerWaalsContact O-CG 3.28Å; E402-Q406 WeakPolarHBondContact O-CG 3.46Å; E402-Q406 PolarHBondContact O-N 3.17Å; E403-Q406 PolarHBondContact O-N 2.98Å; Q406-L409 WeakPolarHBondContact O-CB 3.47Å; Q406-L409 PolarHBondContact O-N 2.86Å; Q406-A410 PolarHBondContact O-N 2.81Å
407	E	81.5	Confident	78.8	Confident	50 Å²	50	49.6 Å²	49.6	23%	0.234	24%	0.235	C	C	.	.	H	α-helix	trans	-68.7	-38.3	175.9	-72.1	-58.9	158.4	0	0	112	R370 Y374 V377 E403 C404 L409 A410 F411	R370-E407 IonicContact NH1-OE1 2.66Å; R370-E407 IonicContact NH1-OE2 3.72Å; R370-E407 PolarHBondContact NH1-OE2 2.68Å; Y374-E407 HydrophobicContact CD2-CB 4.42Å; V377-E407 HydrophobicContact CG2-CG 4.35Å; E403-E407 PolarHBondContact O-N 3.14Å; C404-E407 PolarHBondContact O-N 3.28Å; E407-L409 VanDerWaalsContact C-N 3.31Å; E407-L409 PolarHBondContact O-N 2.93Å; E407-A410 PolarHBondContact O-N 2.84Å; E407-F411 WeakPolarHBondContact O-CB 3.13Å; E407-F411 PolarHBondContact O-N 3.32Å
408	F	81.6	Confident	80.4	Confident	18 Å²	18	39.9 Å²	39.9	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-58.8	-43.7	172.7	-176.8	-96.1	0	0	0	111.9	P291 Y374 C404 H405 F411 Q412	P291-F408 HydrophobicContact CB-CZ 4.32Å; P291-F408 HydrophobicContact CG-CE1 3.61Å; P291-F408 HydrophobicContact CG-CE2 3.6Å; P291-F408 HydrophobicContact CG-CZ 3.04Å; Y374-F408 HydrophobicContact CD2-CB 3.86Å; Y374-F408 HydrophobicContact CD2-CD2 4.42Å; Y374-F408 HydrophobicContact CE2-CB 3.68Å; Y374-F408 HydrophobicContact CE2-CD2 4.01Å; Y374-F408 HydrophobicContact CE2-CG 4.29Å; C404-F408 WeakPolarHBondContact O-CB 3.46Å; C404-F408 PolarHBondContact O-N 3.23Å; H405-F408 PolarHBondContact O-N 3.43Å; F408-F411 HydrophobicContact CD2-CD1 4.34Å; F408-F411 HydrophobicContact CE2-CD1 4.2Å; F408-F411 WeakPolarHBondContact O-CB 3.19Å; F408-F411 PolarHBondContact O-N 3.41Å; F408-Q412 HydrophobicContact CE1-CB 4.42Å; F408-Q412 PolarHBondContact O-N 2.66Å
409	L	82.3	Confident	81.6	Confident	32 Å²	32	40.7 Å²	40.7	17%	0.168	20%	0.196	C	C	.	.	H	α-helix	trans	-61.6	-44.2	175.6	-86.5	173.8	0	0	0	112.5	R231 V232 H405 Q406 E407 F411 Q412 L413	R231-L409 HydrophobicContact CB-CD2 4.43Å; R231-L409 HydrophobicContact CG-CD2 4.43Å; V232-L409 HydrophobicContact CG1-CD1 4.45Å; V232-L409 HydrophobicContact CG1-CD2 3.17Å; V232-L409 HydrophobicContact CG1-CG 4.22Å; H405-L409 VanDerWaalsContact NE2-CD1 3.28Å; H405-L409 WeakPolarHBondContact NE2-CD1 3.48Å; H405-L409 WeakPolarHBondContact O-CB 3.49Å; H405-L409 WeakPolarHBondContact O-CG 3.28Å; H405-L409 PolarHBondContact O-N 3.45Å; Q406-L409 WeakPolarHBondContact O-CB 3.47Å; Q406-L409 PolarHBondContact O-N 2.86Å; E407-L409 VanDerWaalsContact C-N 3.31Å; E407-L409 PolarHBondContact O-N 2.93Å; L409-F411 VanDerWaalsContact C-N 3.3Å; L409-F411 PolarHBondContact O-N 3.09Å; L409-Q412 PolarHBondContact O-N 2.7Å; L409-L413 WeakPolarHBondContact O-CB 3.26Å; L409-L413 VanDerWaalsContact O-CG 3.31Å; L409-L413 WeakPolarHBondContact O-CG 3.35Å; L409-L413 PolarHBondContact O-N 2.83Å
410	A	84	Confident	82.1	Confident	12 Å²	12	39 Å²	39	10%	0.099	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-40.2	177.1	0	0	0	0	0	111.3	Q406 E407 L413 A414 F427	Q406-A410 PolarHBondContact O-N 2.81Å; E407-A410 PolarHBondContact O-N 2.84Å; A410-L413 PolarHBondContact O-N 3.2Å; A410-A414 WeakPolarHBondContact O-CB 3.26Å; A410-A414 PolarHBondContact O-N 3.35Å; A410-F427 HydrophobicContact CB-CZ 4.17Å
411	F	85.5	Confident	82.6	Confident	7 Å²	7	34.5 Å²	34.5	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-48.6	174.2	171.7	-122.5	0	0	0	112.5	L90 L367 R370 E407 F408 L409 L413 A414 L415	L90-F411 HydrophobicContact CB-CZ 4Å; L90-F411 HydrophobicContact CD1-CZ 4.46Å; L90-F411 HydrophobicContact CD2-CE2 3.6Å; L90-F411 HydrophobicContact CD2-CZ 3.31Å; L90-F411 HydrophobicContact CG-CZ 4.09Å; L367-F411 HydrophobicContact CD1-CD2 3.71Å; L367-F411 HydrophobicContact CD1-CE2 3.46Å; L367-F411 VanDerWaalsContact CD1-CE2 3.46Å; L367-F411 HydrophobicContact CD1-CZ 4.48Å; L367-F411 HydrophobicContact CG-CE2 4.2Å; R370-F411 HydrophobicContact CB-CB 4.05Å; R370-F411 HydrophobicContact CB-CD2 4.25Å; E407-F411 WeakPolarHBondContact O-CB 3.13Å; E407-F411 PolarHBondContact O-N 3.32Å; F408-F411 HydrophobicContact CD2-CD1 4.34Å; F408-F411 HydrophobicContact CE2-CD1 4.2Å; F408-F411 WeakPolarHBondContact O-CB 3.19Å; F408-F411 PolarHBondContact O-N 3.41Å; L409-F411 VanDerWaalsContact C-N 3.3Å; L409-F411 PolarHBondContact O-N 3.09Å; F411-L413 VanDerWaalsContact C-N 3.3Å; F411-L413 PolarHBondContact O-N 3.38Å; F411-A414 WeakPolarHBondContact O-CB 3.41Å; F411-A414 PolarHBondContact O-N 2.89Å; F411-A414 VanDerWaalsContact O-N 3.11Å; F411-L415 PolarHBondContact O-N 2.87Å
412	Q	84.5	Confident	82.9	Confident	26 Å²	26	34.6 Å²	34.6	12%	0.121	17%	0.17	C	C	.	.	H	α-helix	trans	-60.1	-40.1	176.1	-176.9	63.1	60.2	0	0	111.9	F408 L409 L415 N416	F408-Q412 HydrophobicContact CE1-CB 4.42Å; F408-Q412 PolarHBondContact O-N 2.66Å; L409-Q412 PolarHBondContact O-N 2.7Å; Q412-L415 PolarHBondContact O-N 2.92Å; Q412-N416 PolarHBondContact NE2-OD1 3.48Å; Q412-N416 WeakPolarHBondContact O-CB 2.95Å; Q412-N416 PolarHBondContact O-N 3.29Å; Q412-N416 PolarHBondContact O-OD1 3.38Å
413	L	85.4	Confident	82.8	Confident	13 Å²	13	31.3 Å²	31.3	7%	0.068	16%	0.158	C	C	.	.	H	α-helix	trans	-68.8	-34.7	175.8	-73.7	172.3	0	0	0	112.4	R231 L409 A410 F411 N416 S417 M426 F427	R231-L413 HydrophobicContact CB-CD2 3.95Å; R231-L413 HydrophobicContact CB-CG 4.42Å; L409-L413 WeakPolarHBondContact O-CB 3.26Å; L409-L413 VanDerWaalsContact O-CG 3.31Å; L409-L413 WeakPolarHBondContact O-CG 3.35Å; L409-L413 PolarHBondContact O-N 2.83Å; A410-L413 PolarHBondContact O-N 3.2Å; F411-L413 VanDerWaalsContact C-N 3.3Å; F411-L413 PolarHBondContact O-N 3.38Å; L413-N416 PolarHBondContact O-N 3.21Å; L413-S417 WeakPolarHBondContact O-CB 3.48Å; L413-S417 PolarHBondContact O-N 3.05Å; L413-S417 PolarHBondContact O-OG 3.42Å; L413-M426 HydrophobicContact CD1-CB 4.44Å; L413-M426 HydrophobicContact CD1-CG 4.25Å; L413-F427 HydrophobicContact CB-CD2 4.48Å; L413-F427 HydrophobicContact CB-CE2 3.66Å; L413-F427 HydrophobicContact CD1-CE2 4.07Å; L413-F427 HydrophobicContact CD1-CZ 4.41Å
414	A	86.5	Confident	82.1	Confident	4 Å²	4	27.1 Å²	27.1	3%	0.033	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-41.9	172.6	0	0	0	0	0	111.2	R366 L367 R370 A410 F411 S417 L418	R366-A414 HydrophobicContact CG-CB 4.39Å; L367-A414 HydrophobicContact CD1-CB 4.28Å; R370-A414 HydrophobicContact CG-CB 4.35Å; A410-A414 WeakPolarHBondContact O-CB 3.26Å; A410-A414 PolarHBondContact O-N 3.35Å; F411-A414 WeakPolarHBondContact O-CB 3.41Å; F411-A414 PolarHBondContact O-N 2.89Å; F411-A414 VanDerWaalsContact O-N 3.11Å; A414-S417 WeakPolarHBondContact O-CB 3.29Å; A414-S417 PolarHBondContact O-N 3.28Å; A414-L418 PolarHBondContact O-N 3.01Å
415	L	87.6	Confident	81.5	Confident	7 Å²	7	35.3 Å²	35.3	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-62.6	-46.9	173.6	-176.6	63.4	0	0	0	111.5	L90 V338 L367 F411 Q412 S417 L418 F419	L90-L415 HydrophobicContact CD1-CD1 3.51Å; L90-L415 HydrophobicContact CD1-CD2 3.74Å; L90-L415 HydrophobicContact CD1-CG 4.22Å; V338-L415 HydrophobicContact CG2-CD1 3.7Å; L367-L415 HydrophobicContact CD1-CB 3.85Å; L367-L415 HydrophobicContact CD1-CD1 4.2Å; L367-L415 HydrophobicContact CD2-CD1 4.13Å; F411-L415 PolarHBondContact O-N 2.87Å; Q412-L415 PolarHBondContact O-N 2.92Å; L415-S417 PolarHBondContact O-N 3.35Å; L415-L418 VanDerWaalsContact O-CB 3.28Å; L415-L418 WeakPolarHBondContact O-CB 3.2Å; L415-L418 PolarHBondContact O-N 2.96Å; L415-L418 VanDerWaalsContact O-N 3.09Å; L415-F419 HydrophobicContact CD1-CD2 4.5Å; L415-F419 HydrophobicContact CD1-CE2 3.92Å; L415-F419 HydrophobicContact CG-CE2 4.4Å; L415-F419 WeakPolarHBondContact O-CD2 3.32Å
416	N	86.9	Confident	80.5	Confident	26 Å²	26	39.8 Å²	39.8	14%	0.139	19%	0.193	C	C	.	.	H	α-helix	trans	-56.8	-42	176.1	-72.9	-0.7	0	0	0	111.2	R230 Q412 L413 L418 F419 D420 A423	R230-N416 PolarHBondContact O-ND2 3.11Å; Q412-N416 PolarHBondContact NE2-OD1 3.48Å; Q412-N416 WeakPolarHBondContact O-CB 2.95Å; Q412-N416 PolarHBondContact O-N 3.29Å; Q412-N416 PolarHBondContact O-OD1 3.38Å; L413-N416 PolarHBondContact O-N 3.21Å; N416-L418 PolarHBondContact O-N 3.4Å; N416-F419 PolarHBondContact O-N 3.4Å; N416-D420 CarbonylContact O-C 3.58Å; N416-D420 PolarHBondContact O-N 3.22Å; N416-A423 HydrophobicContact CB-CB 3.96Å
417	S	86.2	Confident	79.2	Confident	10 Å²	10	38.3 Å²	38.3	7%	0.07	19%	0.185	C	C	.	.	H	α-helix	trans	-62	-28.8	179.1	-55.2	0	0	0	0	113.4	L413 A414 L415 G424	L413-S417 WeakPolarHBondContact O-CB 3.48Å; L413-S417 PolarHBondContact O-N 3.05Å; L413-S417 PolarHBondContact O-OG 3.42Å; A414-S417 WeakPolarHBondContact O-CB 3.29Å; A414-S417 PolarHBondContact O-N 3.28Å; L415-S417 PolarHBondContact O-N 3.35Å; S417-G424 VanDerWaalsContact OG-CA 3.27Å; S417-G424 WeakPolarHBondContact OG-CA 3.03Å
418	L	87.3	Confident	77.9	Confident	9 Å²	9	38.3 Å²	38.3	5%	0.047	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-41	176.7	-175.8	68.5	0	0	0	111.3	V338 L363 F364 L367 A414 L415 N416 G433 L434	V338-L418 HydrophobicContact CG1-CD2 3.74Å; L363-L418 HydrophobicContact CB-CD1 3.95Å; L363-L418 HydrophobicContact CD1-CD1 4.47Å; F364-L418 HydrophobicContact CD1-CD1 4.02Å; F364-L418 HydrophobicContact CD1-CD2 4.18Å; F364-L418 HydrophobicContact CE1-CD1 3.71Å; F364-L418 HydrophobicContact CE1-CD2 3.65Å; F364-L418 HydrophobicContact CE1-CG 4.31Å; F364-L418 HydrophobicContact CE2-CD1 4.24Å; F364-L418 HydrophobicContact CG-CD1 4.41Å; F364-L418 HydrophobicContact CZ-CD1 3.83Å; F364-L418 HydrophobicContact CZ-CD2 4.35Å; L367-L418 HydrophobicContact CD2-CD2 4.49Å; A414-L418 PolarHBondContact O-N 3.01Å; L415-L418 VanDerWaalsContact O-CB 3.28Å; L415-L418 WeakPolarHBondContact O-CB 3.2Å; L415-L418 PolarHBondContact O-N 2.96Å; L415-L418 VanDerWaalsContact O-N 3.09Å; N416-L418 PolarHBondContact O-N 3.4Å; L418-G433 WeakPolarHBondContact O-CA 3.4Å; L418-L434 PolarHBondContact O-N 2.68Å
419	F	86.6	Confident	76.6	Confident	92 Å²	92	43.8 Å²	43.8	40%	0.404	24%	0.236	S	C	.	.	H	α-helix	trans	-89.8	-46.7	-178.2	-67	-77.7	0	0	0	112.7	L415 N416 L434 R435	L415-F419 HydrophobicContact CD1-CD2 4.5Å; L415-F419 HydrophobicContact CD1-CE2 3.92Å; L415-F419 HydrophobicContact CG-CE2 4.4Å; L415-F419 WeakPolarHBondContact O-CD2 3.32Å; N416-F419 PolarHBondContact O-N 3.4Å; F419-L434 HydrophobicContact CD1-CD1 3.89Å; F419-L434 HydrophobicContact CE1-CD1 4.01Å; F419-L434 PolarHBondContact O-N 2.92Å; F419-R435 WeakPolarHBondContact O-CB 3.2Å; F419-R435 PolarHBondContact O-N 2.79Å
420	D	84.8	Confident	75.4	Confident	15 Å²	15	45 Å²	45	8%	0.08	25%	0.251	C	S	.	.			trans	-137.7	108.3	-176	-173.1	-9.3	0	0	0	110.3	R230 N416 D422 A423 R435 Q436	R230-D420 IonicContact NH1-OD2 3.24Å; R230-D420 PolarHBondContact NH1-OD2 2.8Å; N416-D420 CarbonylContact O-C 3.58Å; N416-D420 PolarHBondContact O-N 3.22Å; D420-D422 PolarHBondContact O-N 3.31Å; D420-D422 WeakPolarHBondContact OD1-CB 3.41Å; D420-D422 PolarHBondContact OD1-N 2.73Å; D420-A423 HydrophobicContact CB-CB 4.15Å; D420-A423 PolarHBondContact O-N 2.83Å; D420-A423 VanDerWaalsContact O-N 3.11Å; D420-R435 IonicContact OD2-CZ 2.68Å; D420-R435 IonicContact OD2-NH1 2.92Å; D420-R435 PolarHBondContact OD2-NH1 2.95Å; D420-Q436 PolarHBondContact OD1-NE2 3.03Å
421	S	81	Confident	74.6	Confident	10 Å²	10	46.9 Å²	46.9	7%	0.07	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-61.5	-26.6	179.9	65.1	0	0	0	0	113.4	A423 G424 S431 Q436	S421-A423 VanDerWaalsContact C-N 3.32Å; S421-G424 PolarHBondContact O-N 3.47Å; S421-S431 VanDerWaalsContact CB-O 3.31Å; S421-S431 WeakPolarHBondContact CB-O 3.28Å; S421-Q436 WeakPolarHBondContact OG-CG 3.27Å; S421-Q436 PolarHBondContact OG-NE2 2.92Å; S421-Q436 VanDerWaalsContact OG-NE2 3.08Å; S421-Q436 PolarHBondContact OG-OE1 2.91Å
422	D	78.9	Confident	74.2	Confident	76 Å²	76	53.4 Å²	53.4	41%	0.406	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-72.9	-28.6	179	-68.5	-45.3	0	0	0	112.3	D420 G424 R425	D420-D422 PolarHBondContact O-N 3.31Å; D420-D422 WeakPolarHBondContact OD1-CB 3.41Å; D420-D422 PolarHBondContact OD1-N 2.73Å; D422-G424 PolarHBondContact O-N 2.86Å; D422-R425 IonicContact OD1-CZ 2.97Å; D422-R425 VanDerWaalsContact OD1-CZ 3.26Å; D422-R425 IonicContact OD1-NE 2.99Å; D422-R425 PolarHBondContact OD1-NE 3.23Å; D422-R425 IonicContact OD1-NH2 3.47Å; D422-R425 PolarHBondContact OD1-NH2 3.24Å
423	A	73.9	Confident	74.1	Confident	17 Å²	17	52.2 Å²	52.2	14%	0.14	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-75.2	-10.1	174	0	0	0	0	0	113	N416 D420 S421	N416-A423 HydrophobicContact CB-CB 3.96Å; D420-A423 HydrophobicContact CB-CB 4.15Å; D420-A423 PolarHBondContact O-N 2.83Å; D420-A423 VanDerWaalsContact O-N 3.11Å; S421-A423 VanDerWaalsContact C-N 3.32Å
424	G	63.1	Low	74.2	Confident	5 Å²	5	54.7 Å²	54.7	5%	0.052	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-114.5	7.9	-173.6	0	0	0	0	0	116.1	S417 S421 D422 M426	S417-G424 VanDerWaalsContact OG-CA 3.27Å; S417-G424 WeakPolarHBondContact OG-CA 3.03Å; S421-G424 PolarHBondContact O-N 3.47Å; D422-G424 PolarHBondContact O-N 2.86Å; G424-M426 PolarHBondContact O-N 2.83Å
425	R	63.9	Low	74.1	Confident	175 Å²	175	59.3 Å²	59.3	66%	0.66	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-56.7	-2.8	-167.4	-78.4	-174.2	-177.9	-153.7	3.9	117.4	D422 F427	D422-R425 IonicContact OD1-CZ 2.97Å; D422-R425 VanDerWaalsContact OD1-CZ 3.26Å; D422-R425 IonicContact OD1-NE 2.99Å; D422-R425 PolarHBondContact OD1-NE 3.23Å; D422-R425 IonicContact OD1-NH2 3.47Å; D422-R425 PolarHBondContact OD1-NH2 3.24Å; R425-F427 VanDerWaalsContact C-N 3.25Å; R425-F427 PolarHBondContact O-N 3.19Å
426	M	57.2	Low	74	Confident	135 Å²	135	59.8 Å²	59.8	67%	0.665	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-71.4	-11.7	178.5	-64.5	-80.3	82.7	0	0	114.4	L413 G424	L413-M426 HydrophobicContact CD1-CB 4.44Å; L413-M426 HydrophobicContact CD1-CG 4.25Å; G424-M426 PolarHBondContact O-N 2.83Å
427	F	54	Low	74	Confident	65 Å²	65	61.1 Å²	61.1	29%	0.285	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-120.2	38.3	-167.6	-60.8	-67.2	0	0	0	116.7	R366 A410 L413 R425	R366-F427 VanDerWaalsContact NH1-CB 3.33Å; R366-F427 PolarHBondContact NH1-O 3.16Å; A410-F427 HydrophobicContact CB-CZ 4.17Å; L413-F427 HydrophobicContact CB-CD2 4.48Å; L413-F427 HydrophobicContact CB-CE2 3.66Å; L413-F427 HydrophobicContact CD1-CE2 4.07Å; L413-F427 HydrophobicContact CD1-CZ 4.41Å; R425-F427 VanDerWaalsContact C-N 3.25Å; R425-F427 PolarHBondContact O-N 3.19Å
428	G	54.6	Low	74.1	Confident	50 Å²	50	64.2 Å²	64.2	52%	0.515	34%	0.337	S	S	.	.	S	Bend	trans	91.4	-166.8	172.7	0	0	0	0	0	114.4	A430	G428-A430 PolarHBondContact O-N 2.98Å
429	P	54.3	Low	73.9	Confident	134 Å²	134	69.8 Å²	69.8	87%	0.87	36%	0.363	S	S	*	.	S	Bend	trans	-59.2	125.6	-171.7	22.2	-30.9	0	0	0	110.9	S431	P429-S431 PolarHBondContact O-N 3.18Å
430	A	56.7	Low	73.6	Confident	58 Å²	58	69.8 Å²	69.8	48%	0.479	36%	0.363	S	S	.	.			trans	-61.7	105	-169.3	0	0	0	0	0	111.7	G428	G428-A430 PolarHBondContact O-N 2.98Å
431	S	67.4	Low	73.2	Confident	50 Å²	50	76.8 Å²	76.8	35%	0.35	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-65	136.6	158.7	-73.1	0	0	0	0	108.6	S421 P429 G433	S421-S431 VanDerWaalsContact CB-O 3.31Å; S421-S431 WeakPolarHBondContact CB-O 3.28Å; P429-S431 PolarHBondContact O-N 3.18Å; S431-G433 PolarHBondContact O-N 2.95Å
432	Y	77.2	Confident	73.3	Confident	144 Å²	144	83 Å²	83	57%	0.565	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-66.5	119.3	-175.7	-61.7	-54.8	0	0	0	111.1	Q436	Y432-Q436 HydrophobicContact CD1-CB 4.02Å; Y432-Q436 HydrophobicContact CD1-CG 4.44Å; Y432-Q436 HydrophobicContact CG-CB 4.45Å
433	G	83.1	Confident	73.4	Confident	1 Å²	1	79.6 Å²	79.6	1%	0.01	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-71.6	172.6	168.5	0	0	0	0	0	111.8	L418 S431 R435 Q436 I437	L418-G433 WeakPolarHBondContact O-CA 3.4Å; S431-G433 PolarHBondContact O-N 2.95Å; G433-R435 VanDerWaalsContact C-N 3.29Å; G433-R435 PolarHBondContact O-N 3.19Å; G433-Q436 PolarHBondContact O-N 2.78Å; G433-Q436 VanDerWaalsContact O-N 3.16Å; G433-Q436 PolarHBondContact O-OE1 3.06Å; G433-I437 WeakPolarHBondContact O-CG1 3.28Å; G433-I437 PolarHBondContact O-N 2.96Å
434	L	86.4	Confident	74.1	Confident	66 Å²	66	81.9 Å²	81.9	35%	0.346	41%	0.412	S	S	.	.	H	α-helix	trans	-56.7	-41.5	-179.6	-70.3	171.4	0	0	0	112.5	L418 F419 Q436 I437 L438	L418-L434 PolarHBondContact O-N 2.68Å; F419-L434 HydrophobicContact CD1-CD1 3.89Å; F419-L434 HydrophobicContact CE1-CD1 4.01Å; F419-L434 PolarHBondContact O-N 2.92Å; L434-Q436 PolarHBondContact O-N 3.24Å; L434-I437 WeakPolarHBondContact O-CB 3.44Å; L434-I437 PolarHBondContact O-N 3.08Å; L434-I437 VanDerWaalsContact O-N 3.16Å; L434-L438 WeakPolarHBondContact O-CG 3.27Å; L434-L438 PolarHBondContact O-N 3.05Å
435	R	85.7	Confident	75.4	Confident	101 Å²	101	86.8 Å²	86.8	38%	0.381	43%	0.433	S	S	.	.	H	α-helix	trans	-57.9	-46.4	176.8	-177.4	-176.1	174.8	176.3	5.8	112	F419 D420 G433 I437 L438 E439	F419-R435 WeakPolarHBondContact O-CB 3.2Å; F419-R435 PolarHBondContact O-N 2.79Å; D420-R435 IonicContact OD2-CZ 2.68Å; D420-R435 IonicContact OD2-NH1 2.92Å; D420-R435 PolarHBondContact OD2-NH1 2.95Å; G433-R435 VanDerWaalsContact C-N 3.29Å; G433-R435 PolarHBondContact O-N 3.19Å; R435-I437 PolarHBondContact O-N 3.34Å; R435-L438 PolarHBondContact O-N 3.35Å; R435-L438 VanDerWaalsContact O-N 3.11Å; R435-E439 HydrophobicContact CG-CG 4.15Å; R435-E439 IonicContact CZ-OE1 3.67Å; R435-E439 IonicContact CZ-OE2 2.75Å; R435-E439 VanDerWaalsContact NE-CD 3.27Å; R435-E439 IonicContact NE-OE1 2.78Å; R435-E439 PolarHBondContact NE-OE1 3.05Å; R435-E439 VanDerWaalsContact NE-OE1 3.08Å; R435-E439 IonicContact NE-OE2 3.34Å; R435-E439 PolarHBondContact NE-OE2 3.47Å; R435-E439 IonicContact NH2-OE1 2.76Å; R435-E439 IonicContact NH2-OE2 2.86Å; R435-E439 PolarHBondContact NH2-OE2 3.49Å; R435-E439 PolarHBondContact O-N 3.33Å
436	Q	86.2	Confident	76.5	Confident	17 Å²	17	85.8 Å²	85.8	8%	0.079	43%	0.429	C	S	.	.	H	α-helix	trans	-65.6	-27	-180	-71.8	75	23	0	0	112.7	D420 S421 Y432 G433 L434 K440	D420-Q436 PolarHBondContact OD1-NE2 3.03Å; S421-Q436 WeakPolarHBondContact OG-CG 3.27Å; S421-Q436 PolarHBondContact OG-NE2 2.92Å; S421-Q436 VanDerWaalsContact OG-NE2 3.08Å; S421-Q436 PolarHBondContact OG-OE1 2.91Å; Y432-Q436 HydrophobicContact CD1-CB 4.02Å; Y432-Q436 HydrophobicContact CD1-CG 4.44Å; Y432-Q436 HydrophobicContact CG-CB 4.45Å; G433-Q436 PolarHBondContact O-N 2.78Å; G433-Q436 VanDerWaalsContact O-N 3.16Å; G433-Q436 PolarHBondContact O-OE1 3.06Å; L434-Q436 PolarHBondContact O-N 3.24Å; Q436-K440 WeakPolarHBondContact O-CD 3.27Å; Q436-K440 VanDerWaalsContact O-CG 3.31Å; Q436-K440 WeakPolarHBondContact O-CG 3.46Å
437	I	86.6	Confident	78.1	Confident	53 Å²	53	84.5 Å²	84.5	27%	0.272	42%	0.419	S	S	.	.	H	α-helix	trans	-73.5	-32.6	174.9	-64.8	168.2	0	0	0	111.2	G433 L434 R435 G443 L444	G433-I437 WeakPolarHBondContact O-CG1 3.28Å; G433-I437 PolarHBondContact O-N 2.96Å; L434-I437 WeakPolarHBondContact O-CB 3.44Å; L434-I437 PolarHBondContact O-N 3.08Å; L434-I437 VanDerWaalsContact O-N 3.16Å; R435-I437 PolarHBondContact O-N 3.34Å; I437-G443 CarbonylContact O-C 3.57Å; I437-G443 WeakPolarHBondContact O-CA 3.2Å; I437-L444 PolarHBondContact O-N 2.94Å
438	L	87.4	Confident	79.8	Confident	75 Å²	75	85.7 Å²	85.7	39%	0.393	43%	0.429	S	S	.	.	H	α-helix	trans	-85.7	-45.3	-176.9	-63.4	175.4	0	0	0	112.9	L434 R435 L444 F445	L434-L438 WeakPolarHBondContact O-CG 3.27Å; L434-L438 PolarHBondContact O-N 3.05Å; R435-L438 PolarHBondContact O-N 3.35Å; R435-L438 VanDerWaalsContact O-N 3.11Å; L438-L444 HydrophobicContact CD2-CB 4.16Å; L438-L444 HydrophobicContact CD2-CD2 3.92Å; L438-F445 HydrophobicContact CB-CD2 4.48Å; L438-F445 HydrophobicContact CB-CE2 4.32Å; L438-F445 HydrophobicContact CD2-CD2 4.43Å; L438-F445 HydrophobicContact CD2-CE2 3.99Å
439	E	83.5	Confident	81.5	Confident	127 Å²	127	87 Å²	87	59%	0.593	42%	0.422	S	S	*	.	H	α-helix	trans	-85	-21.4	-165.8	-70.1	-177.1	173.3	0	0	115.3	R435	R435-E439 HydrophobicContact CG-CG 4.15Å; R435-E439 IonicContact CZ-OE1 3.67Å; R435-E439 IonicContact CZ-OE2 2.75Å; R435-E439 VanDerWaalsContact NE-CD 3.27Å; R435-E439 IonicContact NE-OE1 2.78Å; R435-E439 PolarHBondContact NE-OE1 3.05Å; R435-E439 VanDerWaalsContact NE-OE1 3.08Å; R435-E439 IonicContact NE-OE2 3.34Å; R435-E439 PolarHBondContact NE-OE2 3.47Å; R435-E439 IonicContact NH2-OE1 2.76Å; R435-E439 IonicContact NH2-OE2 2.86Å; R435-E439 PolarHBondContact NH2-OE2 3.49Å; R435-E439 PolarHBondContact O-N 3.33Å
440	K	79.9	Confident	83.2	Confident	92 Å²	92	88.2 Å²	88.2	40%	0.4	42%	0.418	S	S	.	.	S	Bend	trans	-66.2	159.4	-174.2	-76	-176	175.3	-170.3	0	112.7	Q436 E442 G443	Q436-K440 WeakPolarHBondContact O-CD 3.27Å; Q436-K440 VanDerWaalsContact O-CG 3.31Å; Q436-K440 WeakPolarHBondContact O-CG 3.46Å; K440-E442 PolarHBondContact O-N 3.04Å; K440-G443 VanDerWaalsContact C-N 3.34Å; K440-G443 VanDerWaalsContact O-CA 3.27Å; K440-G443 WeakPolarHBondContact O-CA 3.5Å; K440-G443 PolarHBondContact O-N 3.11Å
441	K	76.7	Confident	84.8	Confident	162 Å²	162	87 Å²	87	70%	0.704	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-37	169.9	-174.5	174.3	-178.7	-176.2	0	111.5	G443	K441-G443 VanDerWaalsContact C-N 3.28Å
442	E	82.1	Confident	86	Confident	140 Å²	140	91.9 Å²	91.9	65%	0.654	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	8.9	170.8	-65.1	-163.1	-152.5	0	0	114.1	K440 K447	K440-E442 PolarHBondContact O-N 3.04Å; E442-K447 HydrophobicContact CB-CD 3.94Å; E442-K447 HydrophobicContact CG-CD 4.41Å; E442-K447 VanDerWaalsContact O-CD 3.29Å; E442-K447 WeakPolarHBondContact O-CD 2.99Å; E442-K447 IonicContact OE2-NZ 3.08Å; E442-K447 PolarHBondContact OE2-NZ 3.47Å
443	G	82.2	Confident	86.7	Confident	4 Å²	4	97.2 Å²	97.2	4%	0.041	45%	0.446	C	S	.	.	S	Bend	trans	-73.6	170.4	179.9	0	0	0	0	0	112.9	I437 K440 K441 F445 R446 K447	I437-G443 CarbonylContact O-C 3.57Å; I437-G443 WeakPolarHBondContact O-CA 3.2Å; K440-G443 VanDerWaalsContact C-N 3.34Å; K440-G443 VanDerWaalsContact O-CA 3.27Å; K440-G443 WeakPolarHBondContact O-CA 3.5Å; K440-G443 PolarHBondContact O-N 3.11Å; K441-G443 VanDerWaalsContact C-N 3.28Å; G443-F445 PolarHBondContact O-N 3.47Å; G443-R446 PolarHBondContact O-N 3.26Å; G443-K447 WeakPolarHBondContact O-CB 3.2Å; G443-K447 PolarHBondContact O-N 3.41Å
444	L	88.9	Confident	87.3	Confident	66 Å²	66	101.1 Å²	101.1	35%	0.346	47%	0.469	S	S	.	.	H	α-helix	trans	-54.7	-47.2	-169.7	-173.9	70.8	0	0	0	113.4	I437 L438 N448 M449	I437-L444 PolarHBondContact O-N 2.94Å; L438-L444 HydrophobicContact CD2-CB 4.16Å; L438-L444 HydrophobicContact CD2-CD2 3.92Å; L444-N448 HydrophobicContact CD1-CB 4Å; L444-N448 WeakPolarHBondContact O-CA 3.49Å; L444-N448 WeakPolarHBondContact O-CB 3.4Å; L444-N448 PolarHBondContact O-N 3.16Å; L444-M449 HydrophobicContact CD2-CE 3.72Å; L444-M449 HydrophobicContact CG-CE 3.76Å; L444-M449 PolarHBondContact O-N 3.26Å; L444-M449 VanDerWaalsContact O-N 3.08Å
445	F	89.2	Confident	87.7	Confident	108 Å²	108	104.6 Å²	104.6	47%	0.474	49%	0.488	S	S	.	.	I	π-helix	trans	-62.4	-48.5	-176	-74.5	-76.1	0	0	0	112.4	L438 G443 M449 M450	L438-F445 HydrophobicContact CB-CD2 4.48Å; L438-F445 HydrophobicContact CB-CE2 4.32Å; L438-F445 HydrophobicContact CD2-CD2 4.43Å; L438-F445 HydrophobicContact CD2-CE2 3.99Å; G443-F445 PolarHBondContact O-N 3.47Å; F445-M449 HydrophobicContact CD1-CE 3.25Å; F445-M449 HydrophobicContact CD1-SD 3.78Å; F445-M449 HydrophobicContact CD2-CE 4.36Å; F445-M449 HydrophobicContact CE1-CE 3.34Å; F445-M449 HydrophobicContact CE1-SD 4Å; F445-M449 HydrophobicContact CE2-CE 4.43Å; F445-M449 HydrophobicContact CG-CE 3.8Å; F445-M449 HydrophobicContact CZ-CE 3.95Å; F445-M449 WeakPolarHBondContact O-CB 3.46Å; F445-M449 PolarHBondContact O-N 3.28Å; F445-M450 VanDerWaalsContact O-CG 3.29Å; F445-M450 WeakPolarHBondContact O-CG 3.38Å; F445-M450 PolarHBondContact O-N 2.97Å
446	R	87.4	Confident	88.2	Confident	153 Å²	153	103.5 Å²	103.5	58%	0.577	49%	0.486	S	S	*	.	I	π-helix	trans	-80.3	-42.2	-175.3	-67.6	-177.9	66.9	177.9	4.9	112.8	G443 G451	G443-R446 PolarHBondContact O-N 3.26Å; R446-G451 PolarHBondContact O-N 3.31Å
447	K	89.9	Confident	88.8	Confident	108 Å²	108	104.7 Å²	104.7	47%	0.47	50%	0.499	S	S	.	.	I	π-helix	trans	-86.1	-28.3	-171.3	-168.2	176.5	-177.1	175.2	0	113.9	E442 G443 G451	E442-K447 HydrophobicContact CB-CD 3.94Å; E442-K447 HydrophobicContact CG-CD 4.41Å; E442-K447 VanDerWaalsContact O-CD 3.29Å; E442-K447 WeakPolarHBondContact O-CD 2.99Å; E442-K447 IonicContact OE2-NZ 3.08Å; E442-K447 PolarHBondContact OE2-NZ 3.47Å; G443-K447 WeakPolarHBondContact O-CB 3.2Å; G443-K447 PolarHBondContact O-N 3.41Å; K447-G451 CarbonylContact C-O 3.58Å; K447-G451 CarbonylContact O-C 3.42Å
448	N	89.9	Confident	89.2	Confident	91 Å²	91	102.7 Å²	102.7	49%	0.487	49%	0.49	S	S	.	.	I	π-helix	trans	-124.2	-19.3	-171.4	-62.6	11	0	0	0	114.3	L444 G451 K452	L444-N448 HydrophobicContact CD1-CB 4Å; L444-N448 WeakPolarHBondContact O-CA 3.49Å; L444-N448 WeakPolarHBondContact O-CB 3.4Å; L444-N448 PolarHBondContact O-N 3.16Å; N448-G451 CarbonylContact C-O 3.58Å; N448-G451 VanDerWaalsContact C-O 3.3Å; N448-G451 VanDerWaalsContact CA-O 3.29Å; N448-G451 WeakPolarHBondContact CA-O 3.28Å; N448-G451 PolarHBondContact N-O 2.75Å; N448-K452 WeakPolarHBondContact O-CE 3.35Å; N448-K452 VanDerWaalsContact O-CG 3.27Å; N448-K452 WeakPolarHBondContact O-CG 3.3Å
449	M	90.3	Very high	89.7	Confident	77 Å²	77	104.8 Å²	104.8	38%	0.379	49%	0.493	S	S	.	.	I	π-helix	trans	-99.5	-58.1	173.2	-66.1	-170	-122.8	0	0	112	L444 F445 K452	L444-M449 HydrophobicContact CD2-CE 3.72Å; L444-M449 HydrophobicContact CG-CE 3.76Å; L444-M449 PolarHBondContact O-N 3.26Å; L444-M449 VanDerWaalsContact O-N 3.08Å; F445-M449 HydrophobicContact CD1-CE 3.25Å; F445-M449 HydrophobicContact CD1-SD 3.78Å; F445-M449 HydrophobicContact CD2-CE 4.36Å; F445-M449 HydrophobicContact CE1-CE 3.34Å; F445-M449 HydrophobicContact CE1-SD 4Å; F445-M449 HydrophobicContact CE2-CE 4.43Å; F445-M449 HydrophobicContact CG-CE 3.8Å; F445-M449 HydrophobicContact CZ-CE 3.95Å; F445-M449 WeakPolarHBondContact O-CB 3.46Å; F445-M449 PolarHBondContact O-N 3.28Å; M449-K452 WeakPolarHBondContact O-CE 3.41Å
450	M	91.6	Very high	90.3	Very high	159 Å²	159	99.8 Å²	99.8	78%	0.783	47%	0.471	S	S	*	.	I	π-helix	trans	-73.6	-47.6	-178.1	-61.3	-66.5	94.7	0	0	112	F445	F445-M450 VanDerWaalsContact O-CG 3.29Å; F445-M450 WeakPolarHBondContact O-CG 3.38Å; F445-M450 PolarHBondContact O-N 2.97Å
451	G	88.7	Confident	91.1	Very high	33 Å²	33	97.7 Å²	97.7	34%	0.34	47%	0.466	S	S	.	.	S	Bend	trans	-99.3	140.5	167.2	0	0	0	0	0	110.2	R446 K447 N448	R446-G451 PolarHBondContact O-N 3.31Å; K447-G451 CarbonylContact C-O 3.58Å; K447-G451 CarbonylContact O-C 3.42Å; N448-G451 CarbonylContact C-O 3.58Å; N448-G451 VanDerWaalsContact C-O 3.3Å; N448-G451 VanDerWaalsContact CA-O 3.29Å; N448-G451 WeakPolarHBondContact CA-O 3.28Å; N448-G451 PolarHBondContact N-O 2.75Å
452	K	93.4	Very high	92	Very high	153 Å²	153	90.1 Å²	90.1	67%	0.665	43%	0.433	S	S	*	.			trans	-138.4	149.3	172.2	-67.4	-179.3	-174.7	172.4	0	109.5	N448 M449	N448-K452 WeakPolarHBondContact O-CE 3.35Å; N448-K452 VanDerWaalsContact O-CG 3.27Å; N448-K452 WeakPolarHBondContact O-CG 3.3Å; M449-K452 WeakPolarHBondContact O-CE 3.41Å
453	R	92.8	Very high	92.7	Very high	255 Å²	255	85.2 Å²	85.2	96%	0.962	41%	0.413	S	S	*	.			trans	-73	136.6	160.2	-70.3	-173.9	174.6	-115.4	0.5	107.8
454	V	95.4	Very high	93.3	Very high	84 Å²	84	86.7 Å²	86.7	51%	0.509	42%	0.422	S	S	.	.			trans	-115.8	152.1	-175.7	-61.5	0	0	0	0	110.5	A457	V454-A457 HydrophobicContact CG2-CB 4.04Å
455	N	95.2	Very high	93.6	Very high	138 Å²	138	84.9 Å²	84.9	74%	0.738	41%	0.412	S	S	*	.	S	Bend	trans	-81.7	172.6	168.7	-64.1	-27	0	0	0	110	A457	N455-A457 VanDerWaalsContact C-N 3.29Å; N455-A457 PolarHBondContact O-N 3.5Å
456	F	96.1	Very high	93.7	Very high	79 Å²	79	83.4 Å²	83.4	35%	0.346	41%	0.414	S	S	.	.	S	Bend	trans	54.5	43.8	176.3	-51.5	-80.1	0	0	0	113.4	F614 Q616	F456-F614 WeakPolarHBondContact O-CB 3.5Å; F456-F614 PolarHBondContact O-N 3Å; F456-Q616 HydrophobicContact CB-CG 4.2Å; F456-Q616 HydrophobicContact CD2-CG 3.58Å; F456-Q616 HydrophobicContact CE2-CG 4.07Å; F456-Q616 HydrophobicContact CG-CG 3.9Å
457	A	96.9	Very high	94	Very high	41 Å²	41	85.7 Å²	85.7	34%	0.339	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156.4	176	0	0	0	0	0	110.9	V454 N455 V612	V454-A457 HydrophobicContact CG2-CB 4.04Å; N455-A457 VanDerWaalsContact C-N 3.29Å; N455-A457 PolarHBondContact O-N 3.5Å; A457-V612 CarbonylContact C-O 3.35Å; A457-V612 WeakPolarHBondContact CA-O 3.4Å; A457-V612 WeakPolarHBondContact CB-O 3.41Å
458	A	96.8	Very high	94.1	Very high	11 Å²	11	80.6 Å²	80.6	9%	0.091	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157	178.3	0	0	0	0	0	110.4	F479 L483 F591 N611 V612	A458-F479 HydrophobicContact CB-CD1 3.59Å; A458-F479 HydrophobicContact CB-CE1 3.83Å; A458-F479 HydrophobicContact CB-CG 4.07Å; A458-F479 HydrophobicContact CB-CZ 4.48Å; A458-L483 HydrophobicContact CB-CD1 4.29Å; A458-F591 HydrophobicContact CB-CZ 4.09Å; A458-N611 CarbonylContact O-C 3.58Å; A458-N611 WeakPolarHBondContact O-CA 3.49Å; A458-V612 PolarHBondContact N-O 3.05Å; A458-V612 PolarHBondContact O-N 3.31Å
459	R	96.5	Very high	94.1	Very high	119 Å²	119	80.8 Å²	80.8	45%	0.449	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	134.9	176.1	-172.9	178.9	-167.6	-179.6	-1.3	109.3	E609 M610 N611	R459-E609 HydrophobicContact CG-CB 4.31Å; R459-E609 IonicContact CZ-OE2 3.94Å; R459-E609 IonicContact NE-OE2 2.96Å; R459-E609 PolarHBondContact NE-OE2 2.95Å; R459-E609 IonicContact NH1-OE2 2.88Å; R459-E609 IonicContact NH2-OE2 2.84Å; R459-E609 PolarHBondContact NH2-OE2 3.11Å; R459-M610 WeakPolarHBondContact CA-O 3.19Å; R459-N611 WeakPolarHBondContact CB-OD1 3.36Å; R459-N611 VanDerWaalsContact CD-OD1 3.23Å; R459-N611 WeakPolarHBondContact CD-OD1 3.12Å; R459-N611 VanDerWaalsContact CG-OD1 3.23Å; R459-N611 WeakPolarHBondContact CG-OD1 3.11Å
460	T	96.9	Very high	94.1	Very high	23 Å²	23	80.5 Å²	80.5	14%	0.141	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	168.1	170.1	-176.5	0	0	0	0	109.9	F479 R589 F591 E609 M610	T460-F479 HydrophobicContact CG2-CE2 3.75Å; T460-F479 HydrophobicContact CG2-CZ 4.36Å; T460-R589 PolarHBondContact OG1-O 3.01Å; T460-F591 HydrophobicContact CG2-CB 4.13Å; T460-F591 HydrophobicContact CG2-CD1 3.54Å; T460-F591 HydrophobicContact CG2-CD2 3.38Å; T460-F591 HydrophobicContact CG2-CE1 3.65Å; T460-F591 HydrophobicContact CG2-CE2 3.51Å; T460-F591 HydrophobicContact CG2-CG 3.39Å; T460-F591 HydrophobicContact CG2-CZ 3.63Å; T460-E609 WeakPolarHBondContact O-CA 3.34Å; T460-M610 PolarHBondContact N-O 2.96Å; T460-M610 PolarHBondContact O-N 2.99Å; T460-M610 VanDerWaalsContact O-N 3.08Å
461	V	96.8	Very high	94	Very high	47 Å²	47	74.2 Å²	74.2	29%	0.285	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	144.3	168.5	-177.9	0	0	0	0	110.5	T590 F591 D608 E609	V461-T590 HydrophobicContact CB-CG2 4.22Å; V461-T590 WeakPolarHBondContact O-CB 3.49Å; V461-F591 PolarHBondContact O-N 3.14Å; V461-F591 VanDerWaalsContact O-N 3.09Å; V461-D608 VanDerWaalsContact CA-O 3.29Å; V461-D608 WeakPolarHBondContact CA-O 3.2Å; V461-E609 HydrophobicContact CG2-CG 4.15Å
462	I	96	Very high	94.3	Very high	3 Å²	3	75.1 Å²	75.1	2%	0.015	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	148.6	171.8	58.1	168.7	0	0	0	111.9	F591 A603 F605 D608 M610	I462-F591 CarbonylContact C-O 3.53Å; I462-F591 WeakPolarHBondContact CA-O 3.34Å; I462-F591 HydrophobicContact CG2-CB 4.14Å; I462-A603 HydrophobicContact CD1-CB 3.84Å; I462-F605 HydrophobicContact CB-CD1 4.24Å; I462-F605 HydrophobicContact CB-CE1 4.21Å; I462-F605 HydrophobicContact CD1-CD1 3.71Å; I462-F605 HydrophobicContact CD1-CE1 3.77Å; I462-F605 HydrophobicContact CG1-CD1 3.73Å; I462-F605 HydrophobicContact CG1-CE1 4.04Å; I462-D608 HydrophobicContact CD1-CB 4.11Å; I462-D608 HydrophobicContact CG1-CB 3.98Å; I462-D608 WeakPolarHBondContact CG1-O 3.42Å; I462-D608 PolarHBondContact N-O 3.47Å; I462-M610 HydrophobicContact CD1-CG 4.46Å; I462-M610 HydrophobicContact CD1-SD 3.99Å; I462-M610 HydrophobicContact CG2-CB 3.85Å; I462-M610 HydrophobicContact CG2-CG 3.6Å; I462-M610 HydrophobicContact CG2-SD 3.52Å; I462-M610 VanDerWaalsContact CG2-SD 3.52Å
463	T	96	Very high	94.4	Very high	38 Å²	38	67.9 Å²	67.9	23%	0.233	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.2	175.2	-48.2	0	0	0	0	108.4	T590 F591 R592 L593 F605	T463-T590 VanDerWaalsContact OG1-CB 3.3Å; T463-T590 WeakPolarHBondContact OG1-CB 3.45Å; T463-T590 PolarHBondContact OG1-OG1 2.94Å; T463-F591 PolarHBondContact N-O 3.3Å; T463-R592 WeakPolarHBondContact O-CA 3.48Å; T463-L593 PolarHBondContact O-N 3.43Å; T463-F605 VanDerWaalsContact C-CE1 3.47Å
464	P	95.5	Very high	94.6	Very high	35 Å²	35	55.7 Å²	55.7	23%	0.227	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	149	-178.9	24.2	-32.4	0	0	0	111.6	R592 Y595 F605	P464-R592 PolarHBondContact O-NH1 3.3Å; P464-Y595 HydrophobicContact CB-CD1 4.14Å; P464-Y595 HydrophobicContact CB-CE1 3.37Å; P464-Y595 HydrophobicContact CB-CE2 3.89Å; P464-Y595 VanDerWaalsContact CB-OH 3.26Å; P464-Y595 WeakPolarHBondContact CB-OH 3.21Å; P464-Y595 HydrophobicContact CG-CE1 4.1Å; P464-F605 HydrophobicContact CB-CD1 4.33Å; P464-F605 HydrophobicContact CB-CD2 4.02Å; P464-F605 HydrophobicContact CB-CE1 4.04Å; P464-F605 HydrophobicContact CB-CE2 3.68Å; P464-F605 HydrophobicContact CB-CG 4.33Å; P464-F605 HydrophobicContact CB-CZ 3.69Å; P464-F605 VanDerWaalsContact CD-CD1 3.47Å; P464-F605 HydrophobicContact CG-CD1 4.4Å; P464-F605 HydrophobicContact CG-CD2 4.25Å; P464-F605 HydrophobicContact CG-CE2 4.4Å; P464-F605 HydrophobicContact CG-CG 4.24Å; P464-F605 VanDerWaalsContact N-CE1 3.33Å
465	D	94.7	Very high	94.7	Very high	28 Å²	28	51.8 Å²	51.8	15%	0.15	27%	0.265	C	S	.	.			trans	-145.4	106.6	167.9	-171.2	-14.5	0	0	0	109.9	Y467 M468 R592 L593	D465-Y467 PolarHBondContact O-N 3.17Å; D465-Y467 WeakPolarHBondContact OD1-CB 3.04Å; D465-Y467 PolarHBondContact OD1-N 2.97Å; D465-M468 HydrophobicContact CB-CB 4.18Å; D465-M468 PolarHBondContact O-N 3.47Å; D465-M468 WeakPolarHBondContact OD2-CE 3.43Å; D465-R592 HydrophobicContact CB-CB 3.8Å; D465-R592 HydrophobicContact CB-CG 4.3Å; D465-L593 PolarHBondContact N-O 3.3Å
466	P	92.1	Very high	94.8	Very high	77 Å²	77	45.2 Å²	45.2	50%	0.5	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-18.2	179.6	28.6	-32.8	0	0	0	113.2	M468 Y595	P466-M468 VanDerWaalsContact C-N 3.27Å; P466-Y595 HydrophobicContact CB-CD2 4.32Å; P466-Y595 HydrophobicContact CB-CE2 3.97Å; P466-Y595 HydrophobicContact CG-CE2 4.38Å
467	Y	93	Very high	94.7	Very high	200 Å²	200	43.6 Å²	43.6	78%	0.784	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-2.7	179.8	-55.8	-74	0	0	0	112.6	D465	D465-Y467 PolarHBondContact O-N 3.17Å; D465-Y467 WeakPolarHBondContact OD1-CB 3.04Å; D465-Y467 PolarHBondContact OD1-N 2.97Å
468	M	90.8	Very high	94.7	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	23%	0.232	C	C	.	.	S	Bend	trans	-84.6	133.6	174.1	-159.6	137.3	-55.1	0	0	109.7	D465 P466 F472 G474 L585 R592 N594	D465-M468 HydrophobicContact CB-CB 4.18Å; D465-M468 PolarHBondContact O-N 3.47Å; D465-M468 WeakPolarHBondContact OD2-CE 3.43Å; P466-M468 VanDerWaalsContact C-N 3.27Å; M468-F472 HydrophobicContact CG-CB 3.77Å; M468-F472 WeakPolarHBondContact CG-O 3.05Å; M468-F472 HydrophobicContact SD-CB 4.36Å; M468-G474 PolarHBondContact SD-N 2.96Å; M468-L585 HydrophobicContact CE-CD1 3.93Å; M468-L585 HydrophobicContact CE-CD2 4.31Å; M468-L585 HydrophobicContact CE-CG 4.5Å; M468-R592 HydrophobicContact CE-CB 3.95Å; M468-R592 HydrophobicContact SD-CB 4.18Å; M468-N594 WeakPolarHBondContact O-CB 3.02Å; M468-N594 PolarHBondContact O-ND2 3.5Å
469	D	90.6	Very high	94.7	Very high	94 Å²	94	47.4 Å²	47.4	50%	0.503	24%	0.237	S	C	.	.			trans	-70.9	157.4	172.8	-170.5	11.5	0	0	0	110.5	D471 F472	D469-D471 PolarHBondContact O-N 3.29Å; D469-F472 HydrophobicContact CB-CD2 3.83Å; D469-F472 HydrophobicContact CB-CE2 4.43Å; D469-F472 PolarHBondContact O-N 3.14Å
470	I	90	Very high	94.7	Very high	71 Å²	71	41.8 Å²	41.8	36%	0.364	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-35.1	-170.3	-55.2	178.6	0	0	0	111.3	F472 A596 T597	I470-F472 VanDerWaalsContact C-N 3.28Å; I470-F472 PolarHBondContact O-N 3.07Å; I470-A596 HydrophobicContact CD1-CB 4.11Å; I470-A596 HydrophobicContact CG1-CB 4.14Å; I470-A596 HydrophobicContact CG2-CB 4.45Å; I470-T597 HydrophobicContact CG2-CG2 3.6Å; I470-T597 WeakPolarHBondContact O-CG2 2.99Å
471	D	90.8	Very high	94.6	Very high	27 Å²	27	43.1 Å²	43.1	14%	0.144	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-5	-179.2	-64.4	-17.8	0	0	0	113.9	D469 H580 K581 T630 S631	D469-D471 PolarHBondContact O-N 3.29Å; D471-H580 CarbonylContact O-C 3.34Å; D471-H580 WeakPolarHBondContact O-CA 3.33Å; D471-K581 PolarHBondContact O-N 3.21Å; D471-T630 WeakPolarHBondContact CA-OG1 3.36Å; D471-T630 PolarHBondContact OD1-OG1 2.79Å; D471-S631 PolarHBondContact OD1-OG 2.96Å; D471-S631 PolarHBondContact OD2-OG 2.77Å
472	F	93.8	Very high	94.5	Very high	53 Å²	53	48.5 Å²	48.5	23%	0.232	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	144.2	-173.8	-76.5	-98.6	0	0	0	112.5	M468 D469 I470 K581 R583	M468-F472 HydrophobicContact CG-CB 3.77Å; M468-F472 WeakPolarHBondContact CG-O 3.05Å; M468-F472 HydrophobicContact SD-CB 4.36Å; D469-F472 HydrophobicContact CB-CD2 3.83Å; D469-F472 HydrophobicContact CB-CE2 4.43Å; D469-F472 PolarHBondContact O-N 3.14Å; I470-F472 VanDerWaalsContact C-N 3.28Å; I470-F472 PolarHBondContact O-N 3.07Å; F472-K581 CarbonylContact C-O 3.56Å; F472-K581 VanDerWaalsContact CA-O 3.23Å; F472-K581 WeakPolarHBondContact CA-O 3.4Å; F472-K581 HydrophobicContact CD1-CB 3.65Å; F472-K581 WeakPolarHBondContact CD1-O 3.43Å; F472-K581 HydrophobicContact CD2-CB 4.38Å; F472-K581 HydrophobicContact CE1-CB 3.62Å; F472-K581 HydrophobicContact CE1-CD 4.32Å; F472-K581 HydrophobicContact CE2-CB 4.37Å; F472-K581 HydrophobicContact CE2-CD 4.01Å; F472-K581 HydrophobicContact CG-CB 4.08Å; F472-K581 HydrophobicContact CZ-CB 4.02Å; F472-K581 HydrophobicContact CZ-CD 3.86Å; F472-R583 HydrophobicContact CD1-CB 4.01Å
473	V	95.6	Very high	94.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.6	167.5	66.1	0	0	0	0	110	I475 V564 L566 H580 K581 R583	V473-I475 HydrophobicContact CG1-CD1 4Å; V473-I475 HydrophobicContact CG1-CG1 4.2Å; V473-I475 HydrophobicContact CG2-CD1 4.19Å; V473-I475 PolarHBondContact O-N 3.46Å; V473-V564 HydrophobicContact CG1-CG2 3.5Å; V473-L566 HydrophobicContact CG2-CD1 4.42Å; V473-L566 HydrophobicContact CG2-CD2 4.25Å; V473-H580 HydrophobicContact CB-CB 3.87Å; V473-H580 HydrophobicContact CG1-CB 3.61Å; V473-K581 PolarHBondContact N-O 2.96Å; V473-R583 PolarHBondContact O-N 3.45Å
474	G	96.9	Very high	94.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	110.5	177.8	0	0	0	0	0	109.7	M468 R583 F591 R592	M468-G474 PolarHBondContact SD-N 2.96Å; G474-R583 CarbonylContact C-O 3.53Å; G474-R583 VanDerWaalsContact CA-O 3.29Å; G474-R583 WeakPolarHBondContact CA-O 3.44Å; G474-F591 WeakPolarHBondContact O-CA 3.2Å; G474-R592 PolarHBondContact N-O 3.2Å; G474-R592 PolarHBondContact O-N 2.98Å
475	I	97.6	Very high	94.7	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123.4	178	-58.9	-60.5	0	0	0	109.2	V473 F479 A480 V582 R583 V584 L585 F591 V612	V473-I475 HydrophobicContact CG1-CD1 4Å; V473-I475 HydrophobicContact CG1-CG1 4.2Å; V473-I475 HydrophobicContact CG2-CD1 4.19Å; V473-I475 PolarHBondContact O-N 3.46Å; I475-F479 HydrophobicContact CG2-CB 3.91Å; I475-A480 HydrophobicContact CG2-CB 4.45Å; I475-V582 HydrophobicContact CB-CG1 3.89Å; I475-V582 HydrophobicContact CG1-CB 4.37Å; I475-V582 HydrophobicContact CG1-CG1 3.63Å; I475-V582 HydrophobicContact CG1-CG2 4.01Å; I475-R583 PolarHBondContact N-O 2.78Å; I475-V584 WeakPolarHBondContact O-CA 3.46Å; I475-L585 PolarHBondContact O-N 3.06Å; I475-F591 HydrophobicContact CD1-CD1 3.72Å; I475-F591 HydrophobicContact CD1-CE1 3.64Å; I475-F591 HydrophobicContact CD1-CZ 4.47Å; I475-V612 HydrophobicContact CD1-CG1 4.31Å; I475-V612 HydrophobicContact CD1-CG2 3.89Å
476	P	96.9	Very high	94.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	142.6	170.5	-30.7	36.2	0	0	0	113.4	V478 F479 A480 Q588 T590	P476-V478 PolarHBondContact O-N 3.31Å; P476-V478 VanDerWaalsContact O-N 3.13Å; P476-F479 HydrophobicContact CB-CD2 3.94Å; P476-F479 HydrophobicContact CG-CD2 3.91Å; P476-F479 HydrophobicContact CG-CE2 4.29Å; P476-F479 PolarHBondContact O-N 2.87Å; P476-A480 PolarHBondContact O-N 3.44Å; P476-Q588 WeakPolarHBondContact CB-O 3.22Å; P476-T590 WeakPolarHBondContact CD-O 3.47Å; P476-T590 WeakPolarHBondContact CG-O 3.44Å
477	E	95.6	Very high	94.9	Very high	44 Å²	44	43.6 Å²	43.6	21%	0.206	21%	0.207	C	C	.	.	H	α-helix	trans	-51	-36.6	174	178.9	173.3	-174.1	0	0	113.5	F479 A480 K481 L508 L585	E477-F479 VanDerWaalsContact C-N 3.29Å; E477-F479 PolarHBondContact O-N 2.92Å; E477-A480 PolarHBondContact O-N 3.1Å; E477-K481 HydrophobicContact CG-CD 4.13Å; E477-K481 VanDerWaalsContact CG-CE 3.44Å; E477-K481 HydrophobicContact CG-CG 4.41Å; E477-K481 WeakPolarHBondContact O-CG 3.47Å; E477-K481 PolarHBondContact O-N 3.44Å; E477-K481 WeakPolarHBondContact OE1-CE 3.42Å; E477-K481 IonicContact OE1-NZ 2.64Å; E477-K481 PolarHBondContact OE1-NZ 3.36Å; E477-L508 HydrophobicContact CG-CD1 4.03Å; E477-L585 PolarHBondContact N-O 3.47Å
478	V	95.5	Very high	94.9	Very high	87 Å²	87	35.2 Å²	35.2	53%	0.527	18%	0.181	S	C	.	.	H	α-helix	trans	-58.8	-39.8	178.1	-178.2	0	0	0	0	112	P476	P476-V478 PolarHBondContact O-N 3.31Å; P476-V478 VanDerWaalsContact O-N 3.13Å
479	F	96.8	Very high	95	Very high	46 Å²	46	35.5 Å²	35.5	20%	0.202	18%	0.183	C	C	.	.	H	α-helix	trans	-80.4	-38.9	176.7	-67.1	-59.7	0	0	0	111.3	A458 T460 I475 P476 E477 K481 K482 L483 F591	A458-F479 HydrophobicContact CB-CD1 3.59Å; A458-F479 HydrophobicContact CB-CE1 3.83Å; A458-F479 HydrophobicContact CB-CG 4.07Å; A458-F479 HydrophobicContact CB-CZ 4.48Å; T460-F479 HydrophobicContact CG2-CE2 3.75Å; T460-F479 HydrophobicContact CG2-CZ 4.36Å; I475-F479 HydrophobicContact CG2-CB 3.91Å; P476-F479 HydrophobicContact CB-CD2 3.94Å; P476-F479 HydrophobicContact CG-CD2 3.91Å; P476-F479 HydrophobicContact CG-CE2 4.29Å; P476-F479 PolarHBondContact O-N 2.87Å; E477-F479 VanDerWaalsContact C-N 3.29Å; E477-F479 PolarHBondContact O-N 2.92Å; F479-K481 VanDerWaalsContact C-N 3.29Å; F479-K481 PolarHBondContact O-N 3.1Å; F479-K482 PolarHBondContact O-N 2.96Å; F479-K482 VanDerWaalsContact O-N 3.08Å; F479-L483 HydrophobicContact CB-CD1 4.48Å; F479-L483 WeakPolarHBondContact O-CB 3.36Å; F479-L483 WeakPolarHBondContact O-CG 3.32Å; F479-L483 PolarHBondContact O-N 3.4Å; F479-F591 AromaticContact CD2-CE1 3.84Å; F479-F591 HydrophobicContact CD2-CE1 3.84Å; F479-F591 HydrophobicContact CD2-CZ 4.43Å; F479-F591 HydrophobicContact CE2-CE1 4.12Å; F479-F591 HydrophobicContact CE2-CZ 4.44Å
480	A	96.4	Very high	95.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.3	-39.2	-179.5	0	0	0	0	0	112.7	I475 P476 E477 L508 H557 V558 V584	I475-A480 HydrophobicContact CG2-CB 4.45Å; P476-A480 PolarHBondContact O-N 3.44Å; E477-A480 PolarHBondContact O-N 3.1Å; A480-L508 HydrophobicContact CB-CD1 3.73Å; A480-H557 WeakPolarHBondContact O-CB 3.11Å; A480-V558 HydrophobicContact CB-CB 4.43Å; A480-V558 PolarHBondContact O-N 3.02Å; A480-V584 HydrophobicContact CB-CG1 3.8Å; A480-V584 HydrophobicContact CB-CG2 4.12Å
481	K	95.4	Very high	95.2	Very high	51 Å²	51	38.8 Å²	38.8	22%	0.222	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-24.3	176.5	-66.7	178.6	-177.3	177.1	0	114.4	E477 F479 D506 L508 N512 H557	E477-K481 HydrophobicContact CG-CD 4.13Å; E477-K481 VanDerWaalsContact CG-CE 3.44Å; E477-K481 HydrophobicContact CG-CG 4.41Å; E477-K481 WeakPolarHBondContact O-CG 3.47Å; E477-K481 PolarHBondContact O-N 3.44Å; E477-K481 WeakPolarHBondContact OE1-CE 3.42Å; E477-K481 IonicContact OE1-NZ 2.64Å; E477-K481 PolarHBondContact OE1-NZ 3.36Å; F479-K481 VanDerWaalsContact C-N 3.29Å; F479-K481 PolarHBondContact O-N 3.1Å; K481-D506 WeakPolarHBondContact CD-O 3.37Å; K481-D506 WeakPolarHBondContact CE-O 3.45Å; K481-D506 PolarHBondContact NZ-O 3.42Å; K481-L508 HydrophobicContact CG-CD1 4.46Å; K481-N512 PolarHBondContact O-ND2 2.98Å; K481-H557 PolarHBondContact O-CD2 3.46Å; K481-H557 PolarHBondContact O-NE2 3.33Å
482	K	95.5	Very high	95.4	Very high	160 Å²	160	40.5 Å²	40.5	70%	0.696	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-40.4	-179.4	-76.9	-171.9	176.1	-178	0	112.7	F479	F479-K482 PolarHBondContact O-N 2.96Å; F479-K482 VanDerWaalsContact O-N 3.08Å
483	L	96.6	Very high	95.4	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.063	22%	0.217	C	C	.	.			trans	-74.4	128.1	178.1	-67.7	175.3	0	0	0	109.1	A458 F479 V558 F614	A458-L483 HydrophobicContact CB-CD1 4.29Å; F479-L483 HydrophobicContact CB-CD1 4.48Å; F479-L483 WeakPolarHBondContact O-CB 3.36Å; F479-L483 WeakPolarHBondContact O-CG 3.32Å; F479-L483 PolarHBondContact O-N 3.4Å; L483-V558 HydrophobicContact CB-CG2 3.5Å; L483-V558 HydrophobicContact CD1-CG2 4.42Å; L483-V558 PolarHBondContact O-N 3.29Å; L483-F614 HydrophobicContact CB-CD1 4.16Å
484	T	96.8	Very high	95.3	Very high	8 Å²	8	40.1 Å²	40.1	5%	0.049	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.8	-179.2	58.3	0	0	0	0	112.1	N512 C555 R556 Q616	T484-N512 HydrophobicContact CG2-CB 4.01Å; T484-N512 VanDerWaalsContact CG2-ND2 3.35Å; T484-N512 WeakPolarHBondContact CG2-ND2 3.38Å; T484-C555 HydrophobicContact CG2-CB 4.36Å; T484-C555 WeakPolarHBondContact CG2-O 3.41Å; T484-R556 CarbonylContact C-O 3.48Å; T484-R556 WeakPolarHBondContact CA-O 3.23Å; T484-R556 WeakPolarHBondContact CB-O 3.05Å; T484-Q616 PolarHBondContact O-NE2 3.48Å; T484-Q616 PolarHBondContact O-OE1 3.5Å
485	F	97.2	Very high	95.3	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.1	171.1	-174.2	-99.9	0	0	0	109.5	E487 V554 C555 R556 F614 P615 H618 R621	F485-E487 HydrophobicContact CD1-CB 4.26Å; F485-E487 WeakPolarHBondContact CD1-OE2 3.5Å; F485-E487 VanDerWaalsContact CE1-OE2 3.28Å; F485-E487 WeakPolarHBondContact CE1-OE2 3.25Å; F485-E487 PolarHBondContact O-N 3.39Å; F485-E487 VanDerWaalsContact O-N 3.12Å; F485-V554 VanDerWaalsContact O-O 3.09Å; F485-C555 WeakPolarHBondContact O-CA 3.38Å; F485-R556 HydrophobicContact CB-CG 4.49Å; F485-R556 PolarHBondContact N-O 3.04Å; F485-R556 PolarHBondContact O-N 3.46Å; F485-R556 VanDerWaalsContact O-N 3.15Å; F485-F614 HydrophobicContact CB-CE1 3.65Å; F485-F614 HydrophobicContact CB-CZ 3.64Å; F485-F614 HydrophobicContact CD2-CZ 4.19Å; F485-F614 HydrophobicContact CG-CZ 4.26Å; F485-P615 WeakPolarHBondContact CD2-O 3.49Å; F485-P615 WeakPolarHBondContact CE2-O 3.38Å; F485-H618 AromaticContact CE1-CE1 3.68Å; F485-H618 AromaticContact CE1-NE2 3.66Å; F485-H618 AromaticContact CZ-CE1 3.86Å; F485-H618 AromaticContact CZ-NE2 3.85Å; F485-R621 VanDerWaalsContact CE2-CD 3.45Å; F485-R621 HydrophobicContact CE2-CG 4.25Å
486	P	95.6	Very high	95.2	Very high	36 Å²	36	50 Å²	50	23%	0.234	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	97.5	174.9	30.9	-33.2	0	0	0	109.9	L553 Q616	P486-L553 HydrophobicContact CB-CD1 4.44Å; P486-Q616 VanDerWaalsContact CD-OE1 3.26Å; P486-Q616 WeakPolarHBondContact CG-O 3.25Å
487	E	94.9	Very high	95.2	Very high	22 Å²	22	50 Å²	50	10%	0.103	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127	177	-161	81.9	-145.9	0	0	109.6	F485 M497 L553 V554 R556 H618 R621	F485-E487 HydrophobicContact CD1-CB 4.26Å; F485-E487 WeakPolarHBondContact CD1-OE2 3.5Å; F485-E487 VanDerWaalsContact CE1-OE2 3.28Å; F485-E487 WeakPolarHBondContact CE1-OE2 3.25Å; F485-E487 PolarHBondContact O-N 3.39Å; F485-E487 VanDerWaalsContact O-N 3.12Å; E487-M497 HydrophobicContact CB-SD 3.85Å; E487-M497 HydrophobicContact CG-SD 3.96Å; E487-L553 CarbonylContact O-C 3.3Å; E487-L553 WeakPolarHBondContact O-CA 3.4Å; E487-V554 PolarHBondContact N-O 2.87Å; E487-V554 PolarHBondContact O-N 2.97Å; E487-R556 HydrophobicContact CB-CG 4.33Å; E487-R556 IonicContact OE2-CZ 3.41Å; E487-R556 IonicContact OE2-NE 3.24Å; E487-R556 PolarHBondContact OE2-NE 2.9Å; E487-R556 IonicContact OE2-NH2 2.89Å; E487-R556 PolarHBondContact OE2-NH2 3.44Å; E487-H618 IonicContact OE1-CE1 3.79Å; E487-H618 PolarHBondContact OE1-CE1 3.14Å; E487-H618 VanDerWaalsContact OE1-CE1 3.28Å; E487-H618 IonicContact OE1-NE2 3.56Å; E487-R621 IonicContact OE2-NH1 3.73Å
488	G	93.7	Very high	95.2	Very high	23 Å²	23	49 Å²	49	24%	0.237	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	133.7	174.2	0	0	0	0	0	111.3	F490 N493	G488-F490 WeakPolarHBondContact O-CD1 3.08Å; G488-N493 PolarHBondContact O-ND2 2.94Å
489	V	93.6	Very high	95.2	Very high	8 Å²	8	47 Å²	47	5%	0.048	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-81.6	128	178.4	-177.3	0	0	0	0	110.3	I494 M497 L539 L540 A551 K552 V554	V489-I494 HydrophobicContact CG1-CD1 3.7Å; V489-M497 HydrophobicContact CG2-CB 4.34Å; V489-M497 HydrophobicContact CG2-CG 4.33Å; V489-L539 HydrophobicContact CG1-CB 4.1Å; V489-L539 HydrophobicContact CG2-CB 4.44Å; V489-L539 HydrophobicContact CG2-CD2 4.47Å; V489-L540 HydrophobicContact CG1-CD2 3.97Å; V489-L540 HydrophobicContact CG1-CG 4.35Å; V489-A551 WeakPolarHBondContact O-CB 3.38Å; V489-K552 WeakPolarHBondContact CG2-O 3.49Å; V489-K552 PolarHBondContact N-O 3.32Å; V489-V554 HydrophobicContact CG2-CG2 3.63Å
490	F	91.9	Very high	95.2	Very high	114 Å²	114	44.9 Å²	44.9	50%	0.5	25%	0.253	S	S	.	.			trans	-141.2	175.5	171.8	63.7	-84	0	0	0	110	G488 G492 N493 I494	G488-F490 WeakPolarHBondContact O-CD1 3.08Å; F490-G492 PolarHBondContact O-N 2.82Å; F490-N493 HydrophobicContact CD1-CB 4.31Å; F490-N493 VanDerWaalsContact CD1-CG 3.47Å; F490-N493 WeakPolarHBondContact CD1-ND2 3.29Å; F490-N493 WeakPolarHBondContact CD1-OD1 3.02Å; F490-N493 HydrophobicContact CE1-CB 3.77Å; F490-N493 WeakPolarHBondContact CE1-ND2 3.23Å; F490-N493 HydrophobicContact CE2-CB 4.44Å; F490-N493 HydrophobicContact CZ-CB 3.83Å; F490-N493 PolarHBondContact N-OD1 3.41Å; F490-N493 PolarHBondContact O-N 3.46Å; F490-N493 PolarHBondContact O-OD1 3.35Å; F490-I494 PolarHBondContact O-N 3.32Å
491	T	92.7	Very high	95.2	Very high	120 Å²	120	44.9 Å²	44.9	74%	0.736	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.4	-174.3	49.1	0	0	0	0	113.6	I494	T491-I494 WeakPolarHBondContact O-CG2 3.39Å
492	G	93.7	Very high	95.2	Very high	64 Å²	64	47.8 Å²	47.8	66%	0.66	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-18.5	-178	0	0	0	0	0	115.7	F490	F490-G492 PolarHBondContact O-N 2.82Å
493	N	94.9	Very high	95.2	Very high	13 Å²	13	42.8 Å²	42.8	7%	0.07	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	5.2	-179.9	75.5	-9.2	0	0	0	113.9	G488 F490 D495 E496 M497	G488-N493 PolarHBondContact O-ND2 2.94Å; F490-N493 HydrophobicContact CD1-CB 4.31Å; F490-N493 VanDerWaalsContact CD1-CG 3.47Å; F490-N493 WeakPolarHBondContact CD1-ND2 3.29Å; F490-N493 WeakPolarHBondContact CD1-OD1 3.02Å; F490-N493 HydrophobicContact CE1-CB 3.77Å; F490-N493 WeakPolarHBondContact CE1-ND2 3.23Å; F490-N493 HydrophobicContact CE2-CB 4.44Å; F490-N493 HydrophobicContact CZ-CB 3.83Å; F490-N493 PolarHBondContact N-OD1 3.41Å; F490-N493 PolarHBondContact O-N 3.46Å; F490-N493 PolarHBondContact O-OD1 3.35Å; N493-D495 VanDerWaalsContact C-N 3.31Å; N493-D495 PolarHBondContact O-N 3.13Å; N493-E496 PolarHBondContact O-N 3.12Å; N493-M497 HydrophobicContact CB-CG 4.47Å; N493-M497 WeakPolarHBondContact O-CG 3.5Å; N493-M497 PolarHBondContact O-N 2.94Å
494	I	94.4	Very high	95.1	Very high	31 Å²	31	42.2 Å²	42.2	16%	0.159	24%	0.24	C	C	.	.	H	α-helix	trans	-58.8	-40	-174.1	-175	56.6	0	0	0	112.9	V489 F490 T491 M497 S498 L539 L540	V489-I494 HydrophobicContact CG1-CD1 3.7Å; F490-I494 PolarHBondContact O-N 3.32Å; T491-I494 WeakPolarHBondContact O-CG2 3.39Å; I494-M497 PolarHBondContact O-N 3.16Å; I494-S498 WeakPolarHBondContact O-CA 3.37Å; I494-S498 WeakPolarHBondContact O-CB 2.83Å; I494-S498 PolarHBondContact O-N 2.95Å; I494-L539 HydrophobicContact CD1-CB 3.71Å; I494-L539 HydrophobicContact CD1-CD1 4.1Å; I494-L540 HydrophobicContact CB-CD1 4.02Å; I494-L540 HydrophobicContact CB-CG 4.49Å; I494-L540 HydrophobicContact CD1-CD1 4.04Å; I494-L540 HydrophobicContact CD1-CG 3.78Å; I494-L540 HydrophobicContact CG1-CD1 3.68Å; I494-L540 HydrophobicContact CG1-CG 4.01Å; I494-L540 HydrophobicContact CG2-CD1 4.37Å
495	D	95.7	Very high	95.1	Very high	128 Å²	128	42.7 Å²	42.7	68%	0.684	24%	0.243	S	C	*	.	H	α-helix	trans	-67.5	-41.4	-178	-65.5	-31.5	0	0	0	111.5	N493 T499	N493-D495 VanDerWaalsContact C-N 3.31Å; N493-D495 PolarHBondContact O-N 3.13Å; D495-T499 VanDerWaalsContact O-CB 3.28Å; D495-T499 WeakPolarHBondContact O-CB 2.75Å; D495-T499 PolarHBondContact O-N 3.36Å; D495-T499 PolarHBondContact O-OG1 2.87Å
496	E	95.8	Very high	94.9	Very high	81 Å²	81	47.5 Å²	47.5	38%	0.379	27%	0.269	S	S	.	.	H	α-helix	trans	-63.8	-48.7	175.1	-168.7	-171.8	164.6	0	0	110.1	N493 T499 A500 K559	N493-E496 PolarHBondContact O-N 3.12Å; E496-T499 PolarHBondContact O-N 2.96Å; E496-A500 PolarHBondContact O-N 3.04Å; E496-K559 WeakPolarHBondContact OE1-CD 3.26Å; E496-K559 IonicContact OE1-NZ 3.59Å; E496-K559 PolarHBondContact OE1-NZ 2.98Å; E496-K559 IonicContact OE2-NZ 2.84Å; E496-K559 PolarHBondContact OE2-NZ 2.9Å
497	M	96.4	Very high	94.8	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-68.7	-40.7	-177.9	-65.4	-52.2	92.3	0	0	112.4	E487 V489 N493 I494 T499 A500 V501 L539 V554	E487-M497 HydrophobicContact CB-SD 3.85Å; E487-M497 HydrophobicContact CG-SD 3.96Å; V489-M497 HydrophobicContact CG2-CB 4.34Å; V489-M497 HydrophobicContact CG2-CG 4.33Å; N493-M497 HydrophobicContact CB-CG 4.47Å; N493-M497 WeakPolarHBondContact O-CG 3.5Å; N493-M497 PolarHBondContact O-N 2.94Å; I494-M497 PolarHBondContact O-N 3.16Å; M497-T499 VanDerWaalsContact C-N 3.29Å; M497-T499 PolarHBondContact O-N 3.04Å; M497-A500 PolarHBondContact O-N 3.18Å; M497-V501 VanDerWaalsContact O-CG2 3.32Å; M497-V501 WeakPolarHBondContact O-CG2 3.16Å; M497-V501 PolarHBondContact O-N 3.48Å; M497-L539 HydrophobicContact CB-CD1 4.28Å; M497-V554 HydrophobicContact CB-CG2 4.22Å; M497-V554 HydrophobicContact SD-CB 4.07Å; M497-V554 HydrophobicContact SD-CG1 4.24Å
498	S	95.4	Very high	94.6	Very high	24 Å²	24	51.8 Å²	51.8	17%	0.168	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-41	174	178.4	0	0	0	0	110.8	I494 V501 R502	I494-S498 WeakPolarHBondContact O-CA 3.37Å; I494-S498 WeakPolarHBondContact O-CB 2.83Å; I494-S498 PolarHBondContact O-N 2.95Å; S498-V501 PolarHBondContact O-N 3.15Å; S498-R502 WeakPolarHBondContact O-CB 2.77Å; S498-R502 VanDerWaalsContact O-CG 3.24Å; S498-R502 WeakPolarHBondContact O-CG 3.21Å; S498-R502 PolarHBondContact O-N 3.26Å; S498-R502 PolarHBondContact O-NE 3.02Å
499	T	96.3	Very high	94.6	Very high	43 Å²	43	56.1 Å²	56.1	26%	0.264	30%	0.303	S	S	.	.	H	α-helix	trans	-64.9	-46.4	174.6	-57.5	0	0	0	0	111.8	D495 E496 M497 V501 R502 N503	D495-T499 VanDerWaalsContact O-CB 3.28Å; D495-T499 WeakPolarHBondContact O-CB 2.75Å; D495-T499 PolarHBondContact O-N 3.36Å; D495-T499 PolarHBondContact O-OG1 2.87Å; E496-T499 PolarHBondContact O-N 2.96Å; M497-T499 VanDerWaalsContact C-N 3.29Å; M497-T499 PolarHBondContact O-N 3.04Å; T499-V501 VanDerWaalsContact C-N 3.33Å; T499-V501 PolarHBondContact O-N 2.71Å; T499-R502 PolarHBondContact O-N 3.25Å; T499-R502 PolarHBondContact OG1-NH2 3.17Å; T499-N503 WeakPolarHBondContact O-CB 3.44Å; T499-N503 VanDerWaalsContact O-CG 3.22Å; T499-N503 PolarHBondContact O-N 3.18Å
500	A	96.6	Very high	94.7	Very high	3 Å²	3	55.8 Å²	55.8	3%	0.025	30%	0.302	C	S	.	.	H	α-helix	trans	-58.4	-43.6	176.5	0	0	0	0	0	112.3	E496 M497 N503 G504 G510 A511	E496-A500 PolarHBondContact O-N 3.04Å; M497-A500 PolarHBondContact O-N 3.18Å; A500-N503 PolarHBondContact O-N 3.32Å; A500-G504 PolarHBondContact O-N 2.98Å; A500-G510 CarbonylContact O-C 3.57Å; A500-A511 HydrophobicContact CB-CB 4.26Å; A500-A511 PolarHBondContact O-N 3.05Å
501	V	96.6	Very high	95	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.1	-43	176.7	174.2	0	0	0	0	111.6	M497 S498 T499 N503 G504 V514 L524 V535 A536 L539 V554	M497-V501 VanDerWaalsContact O-CG2 3.32Å; M497-V501 WeakPolarHBondContact O-CG2 3.16Å; M497-V501 PolarHBondContact O-N 3.48Å; S498-V501 PolarHBondContact O-N 3.15Å; T499-V501 VanDerWaalsContact C-N 3.33Å; T499-V501 PolarHBondContact O-N 2.71Å; V501-N503 VanDerWaalsContact C-N 3.3Å; V501-N503 PolarHBondContact O-N 3.02Å; V501-G504 PolarHBondContact O-N 2.92Å; V501-V514 HydrophobicContact CG2-CG2 3.93Å; V501-L524 HydrophobicContact CB-CD1 4.31Å; V501-L524 HydrophobicContact CG1-CD1 4.02Å; V501-L524 HydrophobicContact CG1-CD2 4Å; V501-L524 HydrophobicContact CG2-CD1 4.14Å; V501-V535 HydrophobicContact CG1-CB 4.22Å; V501-V535 HydrophobicContact CG1-CG1 4.07Å; V501-A536 HydrophobicContact CB-CB 4.15Å; V501-A536 HydrophobicContact CG1-CB 3.94Å; V501-L539 HydrophobicContact CG2-CD1 4.16Å; V501-L539 HydrophobicContact CG2-CD2 4.45Å; V501-V554 HydrophobicContact CG2-CG1 3.77Å; V501-V554 HydrophobicContact CG2-CG2 3.98Å
502	R	95.8	Very high	95.1	Very high	111 Å²	111	45.5 Å²	45.5	42%	0.419	25%	0.247	S	C	.	.	H	α-helix	trans	-60.4	-40.1	175.8	-76.4	-177.1	-60	163.6	3	111.9	S498 T499 R532 M533 A536	S498-R502 WeakPolarHBondContact O-CB 2.77Å; S498-R502 VanDerWaalsContact O-CG 3.24Å; S498-R502 WeakPolarHBondContact O-CG 3.21Å; S498-R502 PolarHBondContact O-N 3.26Å; S498-R502 PolarHBondContact O-NE 3.02Å; T499-R502 PolarHBondContact O-N 3.25Å; T499-R502 PolarHBondContact OG1-NH2 3.17Å; R502-R532 PolarHBondContact O-NH1 3.24Å; R502-M533 HydrophobicContact CG-CG 4.45Å; R502-A536 HydrophobicContact CG-CB 3.86Å
503	N	94.9	Very high	95.2	Very high	56 Å²	56	46 Å²	46	30%	0.299	23%	0.232	S	C	.	.	H	α-helix	trans	-71.8	-32.6	179.8	-74.2	-6.1	0	0	0	112.7	T499 A500 V501 E507 I509 R532	T499-N503 WeakPolarHBondContact O-CB 3.44Å; T499-N503 VanDerWaalsContact O-CG 3.22Å; T499-N503 PolarHBondContact O-N 3.18Å; A500-N503 PolarHBondContact O-N 3.32Å; V501-N503 VanDerWaalsContact C-N 3.3Å; V501-N503 PolarHBondContact O-N 3.02Å; N503-E507 HydrophobicContact CB-CB 3.79Å; N503-E507 HydrophobicContact CB-CG 4.13Å; N503-I509 WeakPolarHBondContact CB-O 3.4Å; N503-I509 PolarHBondContact ND2-O 3.17Å; N503-R532 PolarHBondContact O-NH1 2.94Å
504	G	95	Very high	95.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.			trans	73.9	-157.5	173.1	0	0	0	0	0	113.6	A500 V501 G510 A511	A500-G504 PolarHBondContact O-N 2.98Å; V501-G504 PolarHBondContact O-N 2.92Å; G504-G510 CarbonylContact O-C 3.55Å; G504-G510 WeakPolarHBondContact O-CA 3.46Å; G504-A511 CarbonylContact C-O 3.17Å; G504-A511 PolarHBondContact O-N 3.48Å
505	P	95.7	Very high	95.1	Very high	17 Å²	17	44.5 Å²	44.5	11%	0.11	23%	0.225	C	C	.	.	S	Bend	trans	-84.1	-17.9	-167	32.7	-38.3	0	0	0	115.1	N512 L524 A526 H557	P505-N512 WeakPolarHBondContact CA-OD1 3.47Å; P505-N512 WeakPolarHBondContact CB-OD1 3.42Å; P505-L524 VanDerWaalsContact CD-O 3.23Å; P505-L524 WeakPolarHBondContact CD-O 3.41Å; P505-L524 VanDerWaalsContact CG-O 3.29Å; P505-L524 WeakPolarHBondContact CG-O 3.31Å; P505-A526 HydrophobicContact CG-CB 4.01Å; P505-H557 PolarHBondContact O-CE1 3.41Å
506	D	94	Very high	94.9	Very high	103 Å²	103	40.6 Å²	40.6	55%	0.551	20%	0.204	S	C	*	.	S	Bend	trans	-93.5	-19.4	-174	-66.5	-29.9	0	0	0	113.5	K481 A526	K481-D506 WeakPolarHBondContact CD-O 3.37Å; K481-D506 WeakPolarHBondContact CE-O 3.45Å; K481-D506 PolarHBondContact NZ-O 3.42Å; D506-A526 WeakPolarHBondContact OD2-CB 3.4Å
507	E	93.3	Very high	94.4	Very high	114 Å²	114	38.1 Å²	38.1	53%	0.533	19%	0.192	S	C	.	.	S	Bend	trans	-87.2	148.2	177	-75.5	-60.1	152.9	0	0	110.8	N503 G510 H557	N503-E507 HydrophobicContact CB-CB 3.79Å; N503-E507 HydrophobicContact CB-CG 4.13Å; E507-G510 PolarHBondContact O-N 3.32Å; E507-H557 PolarHBondContact O-CE1 3.19Å; E507-H557 PolarHBondContact O-ND1 3.22Å
508	L	91.4	Very high	93.8	Very high	33 Å²	33	43 Å²	43	17%	0.173	22%	0.219	C	C	.	.	S	Bend	trans	-67.5	-39.3	-176.4	-176.8	68.4	0	0	0	113	E477 A480 K481 G510 H557 V584	E477-L508 HydrophobicContact CG-CD1 4.03Å; A480-L508 HydrophobicContact CB-CD1 3.73Å; K481-L508 HydrophobicContact CG-CD1 4.46Å; L508-G510 PolarHBondContact O-N 2.95Å; L508-H557 PolarHBondContact O-ND1 3.42Å; L508-V584 HydrophobicContact CD1-CG1 3.56Å; L508-V584 HydrophobicContact CD2-CB 4.23Å; L508-V584 HydrophobicContact CD2-CG1 3.75Å; L508-V584 HydrophobicContact CG-CG1 4.24Å
509	I	93.4	Very high	93.2	Very high	114 Å²	114	44.4 Å²	44.4	59%	0.585	24%	0.237	S	C	*	.	S	Bend	trans	-91.3	70.4	172.3	-54.9	175.8	0	0	0	106.6	N503	N503-I509 WeakPolarHBondContact CB-O 3.4Å; N503-I509 PolarHBondContact ND2-O 3.17Å
510	G	95.7	Very high	92.8	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.021	24%	0.24	C	C	.	.			trans	-129.8	-174.2	-169.5	0	0	0	0	0	113.9	A500 G504 E507 L508 R556 H557	A500-G510 CarbonylContact O-C 3.57Å; G504-G510 CarbonylContact O-C 3.55Å; G504-G510 WeakPolarHBondContact O-CA 3.46Å; E507-G510 PolarHBondContact O-N 3.32Å; L508-G510 PolarHBondContact O-N 2.95Å; G510-R556 WeakPolarHBondContact O-CA 3.39Å; G510-H557 WeakPolarHBondContact CA-ND1 3.32Å; G510-H557 PolarHBondContact O-N 2.95Å
511	A	96.8	Very high	92.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	147.1	175.2	0	0	0	0	0	110.6	A500 G504 L524 V554 C555	A500-A511 HydrophobicContact CB-CB 4.26Å; A500-A511 PolarHBondContact O-N 3.05Å; G504-A511 CarbonylContact C-O 3.17Å; G504-A511 PolarHBondContact O-N 3.48Å; A511-L524 HydrophobicContact CB-CD1 3.81Å; A511-V554 HydrophobicContact CB-CG1 3.73Å; A511-C555 WeakPolarHBondContact CA-O 3.24Å
512	N	95.8	Very high	92.4	Very high	17 Å²	17	54 Å²	54	9%	0.091	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-33.8	-179.5	-66.8	-22.1	0	0	0	112.8	K481 T484 P505 F523 L524 C555 H557	K481-N512 PolarHBondContact O-ND2 2.98Å; T484-N512 HydrophobicContact CG2-CB 4.01Å; T484-N512 VanDerWaalsContact CG2-ND2 3.35Å; T484-N512 WeakPolarHBondContact CG2-ND2 3.38Å; P505-N512 WeakPolarHBondContact CA-OD1 3.47Å; P505-N512 WeakPolarHBondContact CB-OD1 3.42Å; N512-F523 VanDerWaalsContact O-CD2 3.25Å; N512-F523 WeakPolarHBondContact O-CD2 3.32Å; N512-L524 PolarHBondContact O-N 2.88Å; N512-C555 PolarHBondContact N-O 3.25Å; N512-C555 VanDerWaalsContact N-O 3.1Å; N512-H557 PolarHBondContact OD1-NE2 3.34Å
513	F	95.6	Very high	92.4	Very high	76 Å²	76	54.2 Å²	54.2	33%	0.333	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	152.2	-174.9	-53.7	-87.8	0	0	0	111.5	Q522 F523 C555	F513-Q522 CarbonylContact C-O 3.58Å; F513-Q522 VanDerWaalsContact CA-O 3.27Å; F513-Q522 WeakPolarHBondContact CA-O 3.31Å; F513-F523 HydrophobicContact CD1-CB 4.03Å; F513-F523 AromaticContact CD1-CD2 3.9Å; F513-F523 HydrophobicContact CD1-CD2 3.9Å; F513-F523 HydrophobicContact CD1-CG 4.47Å; F513-F523 HydrophobicContact CE1-CB 3.96Å; F513-F523 AromaticContact CE1-CD2 3.45Å; F513-F523 HydrophobicContact CE1-CD2 3.45Å; F513-F523 VanDerWaalsContact CE1-CD2 3.45Å; F513-F523 HydrophobicContact CE1-CE2 4.39Å; F513-F523 HydrophobicContact CE1-CG 4.13Å; F513-F523 AromaticContact CZ-CD2 3.88Å; F513-F523 HydrophobicContact CZ-CD2 3.88Å; F513-F523 HydrophobicContact CZ-CE2 4.4Å; F513-C555 HydrophobicContact CB-CB 3.96Å; F513-C555 HydrophobicContact CD2-CB 4.37Å; F513-C555 WeakPolarHBondContact O-CB 3.2Å; F513-C555 PolarHBondContact O-N 3.28Å
514	V	95	Very high	92.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.3	163.2	178.8	0	0	0	0	107.7	V501 Q522 L524 V535 L539 L553 V554	V501-V514 HydrophobicContact CG2-CG2 3.93Å; V514-Q522 PolarHBondContact N-O 3.47Å; V514-Q522 PolarHBondContact O-N 3.21Å; V514-L524 HydrophobicContact CG2-CD1 4.04Å; V514-L524 HydrophobicContact CG2-CD2 4.03Å; V514-L524 HydrophobicContact CG2-CG 4.27Å; V514-V535 HydrophobicContact CB-CG1 4.32Å; V514-V535 HydrophobicContact CG1-CG1 4.39Å; V514-V535 HydrophobicContact CG2-CG1 3.91Å; V514-L539 HydrophobicContact CG1-CD2 4.11Å; V514-L539 HydrophobicContact CG2-CD2 4.49Å; V514-L553 CarbonylContact C-O 3.14Å; V514-L553 WeakPolarHBondContact CA-O 3.47Å; V514-V554 HydrophobicContact CG2-CG2 4.34Å
515	C	93	Very high	92	Very high	12 Å²	12	52.6 Å²	52.6	8%	0.081	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.7	170.2	-52	0	0	0	0	108.3	S520 K552 L553	C515-S520 CarbonylContact C-O 3.55Å; C515-S520 WeakPolarHBondContact CA-O 3.28Å; C515-K552 WeakPolarHBondContact O-CA 3.37Å; C515-L553 HydrophobicContact CB-CB 4Å; C515-L553 HydrophobicContact CB-CD1 4.48Å; C515-L553 HydrophobicContact CB-CG 4.48Å; C515-L553 PolarHBondContact N-O 2.8Å; C515-L553 PolarHBondContact O-N 3.48Å
516	N	90.2	Very high	91.7	Very high	46 Å²	46	53.3 Å²	53.3	25%	0.246	29%	0.288	C	S	.	.			trans	-78.6	173.4	175.5	-67.2	-43.4	0	0	0	111.1	D518 G519 S520	N516-D518 WeakPolarHBondContact CB-OD1 3.4Å; N516-D518 PolarHBondContact O-N 3.23Å; N516-G519 PolarHBondContact O-N 2.88Å; N516-S520 WeakPolarHBondContact CB-OG 3.33Å; N516-S520 PolarHBondContact N-O 2.91Å; N516-S520 PolarHBondContact ND2-OG 2.89Å; N516-S520 VanDerWaalsContact ND2-OG 3.08Å
517	E	86.4	Confident	91.5	Very high	28 Å²	28	58 Å²	58	13%	0.131	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-23.8	-176	-49.2	171.8	153.8	0	0	112	G519 S543 C550 K552	E517-G519 VanDerWaalsContact C-N 3.29Å; E517-S543 WeakPolarHBondContact OE2-CB 3.18Å; E517-S543 PolarHBondContact OE2-N 2.72Å; E517-S543 PolarHBondContact OE2-OG 3.41Å; E517-C550 WeakPolarHBondContact CG-O 3.47Å; E517-K552 HydrophobicContact CG-CG 3.8Å
518	D	83.1	Confident	91.4	Very high	105 Å²	105	56.7 Å²	56.7	56%	0.561	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-2.2	173.6	67.6	-15.5	0	0	0	113.5	N516 S520	N516-D518 WeakPolarHBondContact CB-OD1 3.4Å; N516-D518 PolarHBondContact O-N 3.23Å; D518-S520 VanDerWaalsContact C-N 3.29Å; D518-S520 VanDerWaalsContact CG-OG 3.3Å; D518-S520 PolarHBondContact O-N 3.43Å; D518-S520 VanDerWaalsContact OD1-CB 3.27Å; D518-S520 WeakPolarHBondContact OD1-CB 3.44Å; D518-S520 PolarHBondContact OD1-N 2.89Å; D518-S520 PolarHBondContact OD1-OG 2.88Å; D518-S520 PolarHBondContact OD2-OG 3.11Å
519	G	83.3	Confident	91.4	Very high	53 Å²	53	61.9 Å²	61.9	55%	0.546	32%	0.321	S	S	.	.	S	Bend	trans	82.9	-2.1	-176	0	0	0	0	0	114.6	N516 E517	N516-G519 PolarHBondContact O-N 2.88Å; E517-G519 VanDerWaalsContact C-N 3.29Å
520	S	88.2	Confident	91.4	Very high	47 Å²	47	60.3 Å²	60.3	33%	0.329	33%	0.325	S	S	.	.			trans	-64.6	140.3	173.7	68.2	0	0	0	0	110.5	C515 N516 D518	C515-S520 CarbonylContact C-O 3.55Å; C515-S520 WeakPolarHBondContact CA-O 3.28Å; N516-S520 WeakPolarHBondContact CB-OG 3.33Å; N516-S520 PolarHBondContact N-O 2.91Å; N516-S520 PolarHBondContact ND2-OG 2.89Å; N516-S520 VanDerWaalsContact ND2-OG 3.08Å; D518-S520 VanDerWaalsContact C-N 3.29Å; D518-S520 VanDerWaalsContact CG-OG 3.3Å; D518-S520 PolarHBondContact O-N 3.43Å; D518-S520 VanDerWaalsContact OD1-CB 3.27Å; D518-S520 WeakPolarHBondContact OD1-CB 3.44Å; D518-S520 PolarHBondContact OD1-N 2.89Å; D518-S520 PolarHBondContact OD1-OG 2.88Å; D518-S520 PolarHBondContact OD2-OG 3.11Å
521	K	91.4	Very high	91.2	Very high	152 Å²	152	63.9 Å²	63.9	66%	0.661	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.7	178.7	-66.2	-170	177.2	-179.4	0	110.1
522	Q	93.2	Very high	91.1	Very high	48 Å²	48	65.2 Å²	65.2	22%	0.224	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.3	171.7	-172.9	176.7	0.5	0	0	109.7	F513 V514 E531	F513-Q522 CarbonylContact C-O 3.58Å; F513-Q522 VanDerWaalsContact CA-O 3.27Å; F513-Q522 WeakPolarHBondContact CA-O 3.31Å; V514-Q522 PolarHBondContact N-O 3.47Å; V514-Q522 PolarHBondContact O-N 3.21Å; Q522-E531 PolarHBondContact NE2-OE1 3.42Å
523	F	94.2	Very high	91.1	Very high	116 Å²	116	68.6 Å²	68.6	51%	0.509	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	134.3	172.5	176.8	-114.6	0	0	0	110.6	N512 F513 G525	N512-F523 VanDerWaalsContact O-CD2 3.25Å; N512-F523 WeakPolarHBondContact O-CD2 3.32Å; F513-F523 HydrophobicContact CD1-CB 4.03Å; F513-F523 AromaticContact CD1-CD2 3.9Å; F513-F523 HydrophobicContact CD1-CD2 3.9Å; F513-F523 HydrophobicContact CD1-CG 4.47Å; F513-F523 HydrophobicContact CE1-CB 3.96Å; F513-F523 AromaticContact CE1-CD2 3.45Å; F513-F523 HydrophobicContact CE1-CD2 3.45Å; F513-F523 VanDerWaalsContact CE1-CD2 3.45Å; F513-F523 HydrophobicContact CE1-CE2 4.39Å; F513-F523 HydrophobicContact CE1-CG 4.13Å; F513-F523 AromaticContact CZ-CD2 3.88Å; F513-F523 HydrophobicContact CZ-CD2 3.88Å; F513-F523 HydrophobicContact CZ-CE2 4.4Å; F523-G525 PolarHBondContact O-N 3.05Å
524	L	93.2	Very high	91	Very high	3 Å²	3	66.3 Å²	66.3	2%	0.016	36%	0.36	C	S	.	.			trans	-88.8	93.8	177.5	-62.1	176.7	0	0	0	109.4	V501 P505 A511 N512 V514 A526 R532 V535	V501-L524 HydrophobicContact CB-CD1 4.31Å; V501-L524 HydrophobicContact CG1-CD1 4.02Å; V501-L524 HydrophobicContact CG1-CD2 4Å; V501-L524 HydrophobicContact CG2-CD1 4.14Å; P505-L524 VanDerWaalsContact CD-O 3.23Å; P505-L524 WeakPolarHBondContact CD-O 3.41Å; P505-L524 VanDerWaalsContact CG-O 3.29Å; P505-L524 WeakPolarHBondContact CG-O 3.31Å; A511-L524 HydrophobicContact CB-CD1 3.81Å; N512-L524 PolarHBondContact O-N 2.88Å; V514-L524 HydrophobicContact CG2-CD1 4.04Å; V514-L524 HydrophobicContact CG2-CD2 4.03Å; V514-L524 HydrophobicContact CG2-CG 4.27Å; L524-A526 PolarHBondContact O-N 3.22Å; L524-R532 HydrophobicContact CB-CG 4.48Å; L524-R532 HydrophobicContact CD2-CG 4.38Å; L524-V535 HydrophobicContact CD2-CG1 4.39Å
525	G	90.1	Very high	90.9	Very high	18 Å²	18	66.6 Å²	66.6	19%	0.186	36%	0.362	C	S	.	.			trans	-62.8	133.1	179.4	0	0	0	0	0	112.9	F523 K527 N528 R532	F523-G525 PolarHBondContact O-N 3.05Å; G525-K527 VanDerWaalsContact C-N 3.3Å; G525-K527 PolarHBondContact O-N 3.32Å; G525-N528 PolarHBondContact O-N 3.09Å; G525-R532 PolarHBondContact O-NE 2.88Å
526	A	88	Confident	90.9	Very high	33 Å²	33	66.2 Å²	66.2	27%	0.273	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-43.1	176.9	0	0	0	0	0	113.2	P505 D506 L524 N528 R532	P505-A526 HydrophobicContact CG-CB 4.01Å; D506-A526 WeakPolarHBondContact OD2-CB 3.4Å; L524-A526 PolarHBondContact O-N 3.22Å; A526-N528 PolarHBondContact O-N 3.13Å; A526-R532 PolarHBondContact O-NH2 3.44Å
527	K	89.5	Confident	91.1	Very high	201 Å²	201	72.8 Å²	72.8	87%	0.874	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-21.8	-173.2	-61.5	-176	179.8	-177.7	0	114.1	G525 K529	G525-K527 VanDerWaalsContact C-N 3.3Å; G525-K527 PolarHBondContact O-N 3.32Å; K527-K529 PolarHBondContact O-N 3.41Å
528	N	91.1	Very high	91.4	Very high	87 Å²	87	77.3 Å²	77.3	47%	0.465	40%	0.402	S	S	.	.			trans	-97.5	72.5	-171.4	-71.2	-3.8	0	0	0	112.3	G525 A526 A530 E531 R532	G525-N528 PolarHBondContact O-N 3.09Å; A526-N528 PolarHBondContact O-N 3.13Å; N528-A530 VanDerWaalsContact C-N 3.34Å; N528-A530 PolarHBondContact O-N 2.91Å; N528-E531 HydrophobicContact CB-CB 3.85Å; N528-E531 WeakPolarHBondContact CB-OE2 3.33Å; N528-E531 PolarHBondContact ND2-OE2 3.43Å; N528-E531 PolarHBondContact O-N 2.74Å; N528-R532 WeakPolarHBondContact O-CG 3.44Å; N528-R532 PolarHBondContact O-N 3.42Å; N528-R532 VanDerWaalsContact O-N 3.15Å
529	K	92	Very high	91.7	Very high	142 Å²	142	72.6 Å²	72.6	62%	0.617	38%	0.377	S	S	*	.	H	α-helix	trans	-61.3	-39.9	179.5	-168.9	176.2	-178.2	177.9	0	112.8	K527 E531 R532 M533	K527-K529 PolarHBondContact O-N 3.41Å; K529-E531 PolarHBondContact O-N 3.33Å; K529-R532 PolarHBondContact O-N 2.86Å; K529-M533 WeakPolarHBondContact O-CG 3.47Å; K529-M533 PolarHBondContact O-N 2.92Å
530	A	92.9	Very high	92	Very high	80 Å²	80	74.3 Å²	74.3	66%	0.661	37%	0.373	S	S	*	.	H	α-helix	trans	-62.1	-43.7	179.5	0	0	0	0	0	112.3	N528 M533 G534	N528-A530 VanDerWaalsContact C-N 3.34Å; N528-A530 PolarHBondContact O-N 2.91Å; A530-M533 PolarHBondContact O-N 3.42Å; A530-G534 PolarHBondContact O-N 3.26Å
531	E	93.1	Very high	92	Very high	78 Å²	78	77.8 Å²	77.8	36%	0.364	38%	0.384	S	S	.	.	H	α-helix	trans	-61	-47	175.7	-171.2	-173.8	167.3	0	0	111	Q522 N528 K529 M533 G534 V535	Q522-E531 PolarHBondContact NE2-OE1 3.42Å; N528-E531 HydrophobicContact CB-CB 3.85Å; N528-E531 WeakPolarHBondContact CB-OE2 3.33Å; N528-E531 PolarHBondContact ND2-OE2 3.43Å; N528-E531 PolarHBondContact O-N 2.74Å; K529-E531 PolarHBondContact O-N 3.33Å; E531-M533 VanDerWaalsContact C-N 3.32Å; E531-M533 PolarHBondContact O-N 3.36Å; E531-G534 WeakPolarHBondContact O-CA 3.44Å; E531-G534 PolarHBondContact O-N 3.11Å; E531-G534 VanDerWaalsContact O-N 3.08Å; E531-V535 WeakPolarHBondContact O-CG2 3.42Å; E531-V535 PolarHBondContact O-N 2.77Å
532	R	94.7	Very high	91.3	Very high	27 Å²	27	78.6 Å²	78.6	10%	0.102	39%	0.388	C	S	.	.	H	α-helix	trans	-57.5	-42.8	176.3	-71.7	-174.1	-76.2	151.4	-14.4	112.2	R502 N503 L524 G525 A526 N528 K529 V535 A536	R502-R532 PolarHBondContact O-NH1 3.24Å; N503-R532 PolarHBondContact O-NH1 2.94Å; L524-R532 HydrophobicContact CB-CG 4.48Å; L524-R532 HydrophobicContact CD2-CG 4.38Å; G525-R532 PolarHBondContact O-NE 2.88Å; A526-R532 PolarHBondContact O-NH2 3.44Å; N528-R532 WeakPolarHBondContact O-CG 3.44Å; N528-R532 PolarHBondContact O-N 3.42Å; N528-R532 VanDerWaalsContact O-N 3.15Å; K529-R532 PolarHBondContact O-N 2.86Å; R532-V535 PolarHBondContact O-N 3.19Å; R532-A536 WeakPolarHBondContact O-CB 3.14Å; R532-A536 PolarHBondContact O-N 3.08Å
533	M	94.1	Very high	90.4	Very high	88 Å²	88	79.3 Å²	79.3	43%	0.433	40%	0.398	S	S	.	.	H	α-helix	trans	-64.4	-39.6	175.4	-65.6	-148.5	-58.8	0	0	112.4	R502 K529 A530 E531 A536 K537	R502-M533 HydrophobicContact CG-CG 4.45Å; K529-M533 WeakPolarHBondContact O-CG 3.47Å; K529-M533 PolarHBondContact O-N 2.92Å; A530-M533 PolarHBondContact O-N 3.42Å; E531-M533 VanDerWaalsContact C-N 3.32Å; E531-M533 PolarHBondContact O-N 3.36Å; M533-A536 PolarHBondContact O-N 3.36Å; M533-K537 WeakPolarHBondContact O-CG 3.3Å; M533-K537 PolarHBondContact O-N 3.04Å; M533-K537 VanDerWaalsContact O-N 3.14Å
534	G	93.6	Very high	89.1	Confident	28 Å²	28	82.3 Å²	82.3	29%	0.289	42%	0.419	S	S	.	.	H	α-helix	trans	-64.5	-40.5	175.2	0	0	0	0	0	112.7	A530 E531 R538	A530-G534 PolarHBondContact O-N 3.26Å; E531-G534 WeakPolarHBondContact O-CA 3.44Å; E531-G534 PolarHBondContact O-N 3.11Å; E531-G534 VanDerWaalsContact O-N 3.08Å; G534-R538 WeakPolarHBondContact O-CG 3.33Å; G534-R538 PolarHBondContact O-NE 3.38Å; G534-R538 VanDerWaalsContact O-NE 3.11Å
535	V	93.5	Very high	87.5	Confident	6 Å²	6	84.6 Å²	84.6	4%	0.036	44%	0.443	C	S	.	.	H	α-helix	trans	-66.1	-46.3	174.7	177	0	0	0	0	110.8	V501 V514 L524 E531 R532 K537 R538 L539	V501-V535 HydrophobicContact CG1-CB 4.22Å; V501-V535 HydrophobicContact CG1-CG1 4.07Å; V514-V535 HydrophobicContact CB-CG1 4.32Å; V514-V535 HydrophobicContact CG1-CG1 4.39Å; V514-V535 HydrophobicContact CG2-CG1 3.91Å; L524-V535 HydrophobicContact CD2-CG1 4.39Å; E531-V535 WeakPolarHBondContact O-CG2 3.42Å; E531-V535 PolarHBondContact O-N 2.77Å; R532-V535 PolarHBondContact O-N 3.19Å; V535-K537 VanDerWaalsContact C-N 3.32Å; V535-K537 PolarHBondContact O-N 3.01Å; V535-R538 PolarHBondContact O-N 3.48Å; V535-L539 PolarHBondContact O-N 3.1Å
536	A	93.8	Very high	85.9	Confident	4 Å²	4	93.9 Å²	93.9	3%	0.033	48%	0.482	C	S	.	.	H	α-helix	trans	-57.3	-41.3	-179.9	0	0	0	0	0	112.8	V501 R502 R532 M533 R538 L539	V501-A536 HydrophobicContact CB-CB 4.15Å; V501-A536 HydrophobicContact CG1-CB 3.94Å; R502-A536 HydrophobicContact CG-CB 3.86Å; R532-A536 WeakPolarHBondContact O-CB 3.14Å; R532-A536 PolarHBondContact O-N 3.08Å; M533-A536 PolarHBondContact O-N 3.36Å; A536-R538 PolarHBondContact O-N 3.25Å; A536-L539 WeakPolarHBondContact O-CG 3.23Å
537	K	93.5	Very high	84.1	Confident	184 Å²	184	94.1 Å²	94.1	80%	0.8	49%	0.487	S	S	*	.	H	α-helix	trans	-66.2	-24	176.4	-73.2	-178.5	-180	-174.7	0	113.7	M533 V535	M533-K537 WeakPolarHBondContact O-CG 3.3Å; M533-K537 PolarHBondContact O-N 3.04Å; M533-K537 VanDerWaalsContact O-N 3.14Å; V535-K537 VanDerWaalsContact C-N 3.32Å; V535-K537 PolarHBondContact O-N 3.01Å
538	R	92	Very high	82.4	Confident	124 Å²	124	93.2 Å²	93.2	47%	0.468	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	4.9	-175.1	-65.4	-176.6	-65.3	-168.3	4	113.6	G534 V535 A536 L540 Q541 K552	G534-R538 WeakPolarHBondContact O-CG 3.33Å; G534-R538 PolarHBondContact O-NE 3.38Å; G534-R538 VanDerWaalsContact O-NE 3.11Å; V535-R538 PolarHBondContact O-N 3.48Å; A536-R538 PolarHBondContact O-N 3.25Å; R538-L540 VanDerWaalsContact C-N 3.33Å; R538-L540 PolarHBondContact O-N 3.3Å; R538-Q541 HydrophobicContact CB-CB 4.41Å; R538-Q541 WeakPolarHBondContact O-CB 3.23Å; R538-Q541 PolarHBondContact O-N 3.42Å; R538-Q541 VanDerWaalsContact O-N 3.11Å; R538-K552 PolarHBondContact O-NZ 3.4Å
539	L	90.9	Very high	81.1	Confident	5 Å²	5	99.2 Å²	99.2	3%	0.026	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-37	-173.3	-70.1	174.7	0	0	0	113.5	V489 I494 M497 V501 V514 V535 A536 V554	V489-L539 HydrophobicContact CG1-CB 4.1Å; V489-L539 HydrophobicContact CG2-CB 4.44Å; V489-L539 HydrophobicContact CG2-CD2 4.47Å; I494-L539 HydrophobicContact CD1-CB 3.71Å; I494-L539 HydrophobicContact CD1-CD1 4.1Å; M497-L539 HydrophobicContact CB-CD1 4.28Å; V501-L539 HydrophobicContact CG2-CD1 4.16Å; V501-L539 HydrophobicContact CG2-CD2 4.45Å; V514-L539 HydrophobicContact CG1-CD2 4.11Å; V514-L539 HydrophobicContact CG2-CD2 4.49Å; V535-L539 PolarHBondContact O-N 3.1Å; A536-L539 WeakPolarHBondContact O-CG 3.23Å; L539-V554 HydrophobicContact CD1-CG2 4.26Å; L539-V554 HydrophobicContact CD2-CG2 3.8Å
540	L	89.2	Confident	80.2	Confident	89 Å²	89	96.3 Å²	96.3	47%	0.466	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-8.1	175	-72.6	173.7	0	0	0	114	V489 I494 R538 K542	V489-L540 HydrophobicContact CG1-CD2 3.97Å; V489-L540 HydrophobicContact CG1-CG 4.35Å; I494-L540 HydrophobicContact CB-CD1 4.02Å; I494-L540 HydrophobicContact CB-CG 4.49Å; I494-L540 HydrophobicContact CD1-CD1 4.04Å; I494-L540 HydrophobicContact CD1-CG 3.78Å; I494-L540 HydrophobicContact CG1-CD1 3.68Å; I494-L540 HydrophobicContact CG1-CG 4.01Å; I494-L540 HydrophobicContact CG2-CD1 4.37Å; R538-L540 VanDerWaalsContact C-N 3.33Å; R538-L540 PolarHBondContact O-N 3.3Å; L540-K542 PolarHBondContact O-N 2.98Å
541	Q	87.3	Confident	79.9	Confident	120 Å²	120	95.1 Å²	95.1	56%	0.561	49%	0.488	S	S	*	.			trans	-74.2	114.3	-179.7	-169.8	179.5	11.8	0	0	109.4	R538 K552	R538-Q541 HydrophobicContact CB-CB 4.41Å; R538-Q541 WeakPolarHBondContact O-CB 3.23Å; R538-Q541 PolarHBondContact O-N 3.42Å; R538-Q541 VanDerWaalsContact O-N 3.11Å; Q541-K552 WeakPolarHBondContact O-CE 3.4Å; Q541-K552 PolarHBondContact O-NZ 3.41Å
542	K	77.3	Confident	79.8	Confident	169 Å²	169	92.5 Å²	92.5	74%	0.735	48%	0.476	S	S	*	.			trans	-64.7	138.2	173.5	-65	-176.8	179.4	177.5	0	110.1	L540	L540-K542 PolarHBondContact O-N 2.98Å
543	S	75.2	Confident	79.8	Confident	63 Å²	63	94.4 Å²	94.4	44%	0.441	49%	0.487	S	S	.	.			trans	-74.3	142.1	168.8	63.6	0	0	0	0	110.4	E517 G545	E517-S543 WeakPolarHBondContact OE2-CB 3.18Å; E517-S543 PolarHBondContact OE2-N 2.72Å; E517-S543 PolarHBondContact OE2-OG 3.41Å; S543-G545 PolarHBondContact O-N 2.9Å; S543-G545 VanDerWaalsContact O-N 3.13Å
544	N	66.3	Low	79.9	Confident	180 Å²	180	90.2 Å²	90.2	96%	0.963	47%	0.467	S	S	*	.	S	Bend	trans	-75.1	8.9	-180	-78.1	-7.8	0	0	0	113.5
545	G	60.3	Low	80	Confident	50 Å²	50	89.3 Å²	89.3	52%	0.515	46%	0.456	S	S	.	.	S	Bend	trans	-88.1	158.3	-175.6	0	0	0	0	0	113.2	S543 G547	S543-G545 PolarHBondContact O-N 2.9Å; S543-G545 VanDerWaalsContact O-N 3.13Å; G545-G547 PolarHBondContact O-N 3.37Å
546	Q	55.4	Low	80.2	Confident	214 Å²	214	89.3 Å²	89.3	100%	1	46%	0.455	S	S	*	.	S	Bend	trans	-65.1	35.9	161	-91.1	161	-31.9	0	0	112.3
547	G	50.8	Low	80.4	Confident	37 Å²	37	89.3 Å²	89.3	38%	0.381	46%	0.455	S	S	.	.			trans	-87.8	158.5	175.4	0	0	0	0	0	111.4	G545	G545-G547 PolarHBondContact O-N 3.37Å
548	Y	53.5	Low	80.5	Confident	182 Å²	182	80.7 Å²	80.7	71%	0.714	42%	0.418	S	S	*	.			trans	-49.6	138.8	-177	-59.5	-85.8	0	0	0	112.9	C550	Y548-C550 PolarHBondContact O-N 3.22Å
549	K	63.2	Low	80.6	Confident	213 Å²	213	78 Å²	78	93%	0.926	41%	0.409	S	S	*	.	S	Bend	trans	-72.7	44.7	174.9	-66.6	-178.3	178.1	177.5	0	112.3
550	C	73.3	Confident	80.8	Confident	82 Å²	82	82.2 Å²	82.2	55%	0.554	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-101.4	137.5	174.6	-81.9	0	0	0	0	109.9	E517 Y548	E517-C550 WeakPolarHBondContact CG-O 3.47Å; Y548-C550 PolarHBondContact O-N 3.22Å
551	A	86.3	Confident	81	Confident	54 Å²	54	79.8 Å²	79.8	45%	0.446	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-61.7	149.6	170.6	0	0	0	0	0	110.3	V489	V489-A551 WeakPolarHBondContact O-CB 3.38Å
552	K	91.5	Very high	81.4	Confident	24 Å²	24	74 Å²	74	10%	0.104	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-58.8	142.8	170.1	-62.6	-177.4	-169.6	166.1	0	109.5	V489 C515 E517 R538 Q541	V489-K552 WeakPolarHBondContact CG2-O 3.49Å; V489-K552 PolarHBondContact N-O 3.32Å; C515-K552 WeakPolarHBondContact O-CA 3.37Å; E517-K552 HydrophobicContact CG-CG 3.8Å; R538-K552 PolarHBondContact O-NZ 3.4Å; Q541-K552 WeakPolarHBondContact O-CE 3.4Å; Q541-K552 PolarHBondContact O-NZ 3.41Å
553	L	94.3	Very high	82.3	Confident	66 Å²	66	66.4 Å²	66.4	35%	0.346	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.8	177	-50	174.4	0	0	0	109	P486 E487 V514 C515	P486-L553 HydrophobicContact CB-CD1 4.44Å; E487-L553 CarbonylContact O-C 3.3Å; E487-L553 WeakPolarHBondContact O-CA 3.4Å; V514-L553 CarbonylContact C-O 3.14Å; V514-L553 WeakPolarHBondContact CA-O 3.47Å; C515-L553 HydrophobicContact CB-CB 4Å; C515-L553 HydrophobicContact CB-CD1 4.48Å; C515-L553 HydrophobicContact CB-CG 4.48Å; C515-L553 PolarHBondContact N-O 2.8Å; C515-L553 PolarHBondContact O-N 3.48Å
554	V	96.6	Very high	83.3	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.5	171.4	176.2	0	0	0	0	107.9	F485 E487 V489 M497 V501 A511 V514 L539 R556	F485-V554 VanDerWaalsContact O-O 3.09Å; E487-V554 PolarHBondContact N-O 2.87Å; E487-V554 PolarHBondContact O-N 2.97Å; V489-V554 HydrophobicContact CG2-CG2 3.63Å; M497-V554 HydrophobicContact CB-CG2 4.22Å; M497-V554 HydrophobicContact SD-CB 4.07Å; M497-V554 HydrophobicContact SD-CG1 4.24Å; V501-V554 HydrophobicContact CG2-CG1 3.77Å; V501-V554 HydrophobicContact CG2-CG2 3.98Å; A511-V554 HydrophobicContact CB-CG1 3.73Å; V514-V554 HydrophobicContact CG2-CG2 4.34Å; L539-V554 HydrophobicContact CD1-CG2 4.26Å; L539-V554 HydrophobicContact CD2-CG2 3.8Å; V554-R556 HydrophobicContact CG1-CB 4.47Å; V554-R556 PolarHBondContact O-N 3.45Å
555	C	96.7	Very high	84.7	Confident	10 Å²	10	56.9 Å²	56.9	7%	0.068	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	73.8	172.9	-64.7	0	0	0	0	109.5	T484 F485 A511 N512 F513	T484-C555 HydrophobicContact CG2-CB 4.36Å; T484-C555 WeakPolarHBondContact CG2-O 3.41Å; F485-C555 WeakPolarHBondContact O-CA 3.38Å; A511-C555 WeakPolarHBondContact CA-O 3.24Å; N512-C555 PolarHBondContact N-O 3.25Å; N512-C555 VanDerWaalsContact N-O 3.1Å; F513-C555 HydrophobicContact CB-CB 3.96Å; F513-C555 HydrophobicContact CD2-CB 4.37Å; F513-C555 WeakPolarHBondContact O-CB 3.2Å; F513-C555 PolarHBondContact O-N 3.28Å
556	R	96.9	Very high	86.3	Confident	5 Å²	5	54.6 Å²	54.6	2%	0.019	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	154.6	177.9	65.2	173.3	-176.3	77.1	-2.9	111.3	T484 F485 E487 G510 V554 D562	T484-R556 CarbonylContact C-O 3.48Å; T484-R556 WeakPolarHBondContact CA-O 3.23Å; T484-R556 WeakPolarHBondContact CB-O 3.05Å; F485-R556 HydrophobicContact CB-CG 4.49Å; F485-R556 PolarHBondContact N-O 3.04Å; F485-R556 PolarHBondContact O-N 3.46Å; F485-R556 VanDerWaalsContact O-N 3.15Å; E487-R556 HydrophobicContact CB-CG 4.33Å; E487-R556 IonicContact OE2-CZ 3.41Å; E487-R556 IonicContact OE2-NE 3.24Å; E487-R556 PolarHBondContact OE2-NE 2.9Å; E487-R556 IonicContact OE2-NH2 2.89Å; E487-R556 PolarHBondContact OE2-NH2 3.44Å; G510-R556 WeakPolarHBondContact O-CA 3.39Å; V554-R556 HydrophobicContact CG1-CB 4.47Å; V554-R556 PolarHBondContact O-N 3.45Å; R556-D562 IonicContact CZ-OD1 3.23Å; R556-D562 IonicContact CZ-OD2 2.75Å; R556-D562 IonicContact NH1-OD1 2.79Å; R556-D562 IonicContact NH1-OD2 3.65Å; R556-D562 PolarHBondContact NH1-OD2 3.45Å; R556-D562 IonicContact NH2-OD1 2.9Å; R556-D562 PolarHBondContact NH2-OD1 3.42Å; R556-D562 IonicContact NH2-OD2 3.24Å; R556-D562 PolarHBondContact NH2-OD2 3.25Å
557	H	97.7	Very high	88.2	Confident	5 Å²	5	45.1 Å²	45.1	2%	0.023	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	167	171	-64	165	0	0	0	112.3	A480 K481 P505 E507 L508 G510 N512 K559	A480-H557 WeakPolarHBondContact O-CB 3.11Å; K481-H557 PolarHBondContact O-CD2 3.46Å; K481-H557 PolarHBondContact O-NE2 3.33Å; P505-H557 PolarHBondContact O-CE1 3.41Å; E507-H557 PolarHBondContact O-CE1 3.19Å; E507-H557 PolarHBondContact O-ND1 3.22Å; L508-H557 PolarHBondContact O-ND1 3.42Å; G510-H557 WeakPolarHBondContact CA-ND1 3.32Å; G510-H557 PolarHBondContact O-N 2.95Å; N512-H557 PolarHBondContact OD1-NE2 3.34Å; H557-K559 PolarHBondContact O-N 2.86Å
558	V	96.5	Very high	90.2	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.018	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-62.5	126.9	171.7	177.7	0	0	0	0	109.4	A480 L483 D562 V582 F614	A480-V558 HydrophobicContact CB-CB 4.43Å; A480-V558 PolarHBondContact O-N 3.02Å; L483-V558 HydrophobicContact CB-CG2 3.5Å; L483-V558 HydrophobicContact CD1-CG2 4.42Å; L483-V558 PolarHBondContact O-N 3.29Å; V558-D562 HydrophobicContact CG1-CB 4.22Å; V558-V582 HydrophobicContact CG1-CB 4.03Å; V558-V582 HydrophobicContact CG1-CG1 3.64Å; V558-V582 HydrophobicContact CG1-CG2 3.94Å; V558-F614 HydrophobicContact CG2-CD1 3.89Å; V558-F614 HydrophobicContact CG2-CE1 3.55Å; V558-F614 HydrophobicContact CG2-CE2 4.49Å; V558-F614 HydrophobicContact CG2-CG 4.46Å; V558-F614 HydrophobicContact CG2-CZ 3.88Å
559	K	93.7	Very high	91.9	Very high	66 Å²	66	41.4 Å²	41.4	29%	0.287	23%	0.227	S	C	.	.			trans	-105.3	155.8	176.5	73	-177.6	172.5	177.7	0	111.8	E496 H557 G561 D562	E496-K559 WeakPolarHBondContact OE1-CD 3.26Å; E496-K559 IonicContact OE1-NZ 3.59Å; E496-K559 PolarHBondContact OE1-NZ 2.98Å; E496-K559 IonicContact OE2-NZ 2.84Å; E496-K559 PolarHBondContact OE2-NZ 2.9Å; H557-K559 PolarHBondContact O-N 2.86Å; K559-G561 PolarHBondContact O-N 2.82Å; K559-D562 WeakPolarHBondContact CG-OD2 3.45Å; K559-D562 PolarHBondContact N-OD2 3.38Å; K559-D562 WeakPolarHBondContact O-CB 3.32Å; K559-D562 PolarHBondContact O-N 2.92Å
560	P	94.7	Very high	93.2	Very high	94 Å²	94	35.6 Å²	35.6	61%	0.61	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	133.3	171.1	-25.1	34.8	0	0	0	111.3	V582 V584	P560-V582 CarbonylContact C-O 3.46Å; P560-V582 WeakPolarHBondContact CA-O 3.28Å; P560-V584 HydrophobicContact CG-CG2 4.46Å
561	G	93.1	Very high	94	Very high	38 Å²	38	34.9 Å²	34.9	39%	0.392	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-3.9	-176.8	0	0	0	0	0	115.5	K559 V582	K559-G561 PolarHBondContact O-N 2.82Å; G561-V582 PolarHBondContact N-O 3.26Å
562	D	96	Very high	94.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.215	C	C	.	.			trans	-61.7	152.2	166.1	-84.2	-27	0	0	0	110.5	R556 V558 K559 K581 V582 F614 R621	R556-D562 IonicContact CZ-OD1 3.23Å; R556-D562 IonicContact CZ-OD2 2.75Å; R556-D562 IonicContact NH1-OD1 2.79Å; R556-D562 IonicContact NH1-OD2 3.65Å; R556-D562 PolarHBondContact NH1-OD2 3.45Å; R556-D562 IonicContact NH2-OD1 2.9Å; R556-D562 PolarHBondContact NH2-OD1 3.42Å; R556-D562 IonicContact NH2-OD2 3.24Å; R556-D562 PolarHBondContact NH2-OD2 3.25Å; V558-D562 HydrophobicContact CG1-CB 4.22Å; K559-D562 WeakPolarHBondContact CG-OD2 3.45Å; K559-D562 PolarHBondContact N-OD2 3.38Å; K559-D562 WeakPolarHBondContact O-CB 3.32Å; K559-D562 PolarHBondContact O-N 2.92Å; D562-K581 CarbonylContact O-C 3.58Å; D562-K581 WeakPolarHBondContact O-CA 3.24Å; D562-V582 WeakPolarHBondContact O-CG2 3.35Å; D562-V582 PolarHBondContact O-N 3.36Å; D562-F614 HydrophobicContact CB-CE2 3.99Å; D562-F614 HydrophobicContact CB-CZ 4.3Å; D562-R621 IonicContact OD1-CZ 2.73Å; D562-R621 IonicContact OD1-NH1 2.77Å; D562-R621 IonicContact OD1-NH2 2.69Å; D562-R621 PolarHBondContact OD1-NH2 2.89Å
563	I	95.5	Very high	93.9	Very high	9 Å²	9	43.4 Å²	43.4	5%	0.046	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.7	-178.5	-59.2	-62.6	0	0	0	109.3	A579 H580 K581 P615 K625	I563-A579 HydrophobicContact CG2-CB 3.89Å; I563-H580 WeakPolarHBondContact CA-O 3.23Å; I563-K581 HydrophobicContact CD1-CG 3.73Å; I563-P615 WeakPolarHBondContact O-CD 3.22Å; I563-K625 HydrophobicContact CD1-CB 4.45Å; I563-K625 HydrophobicContact CG1-CB 4.29Å
564	V	96.4	Very high	93.4	Very high	1 Å²	1	47 Å²	47	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.7	173.5	-68.6	0	0	0	0	110.7	V473 A579 H580 V582 V612 F614	V473-V564 HydrophobicContact CG1-CG2 3.5Å; V564-A579 CarbonylContact O-C 3.52Å; V564-A579 VanDerWaalsContact O-CA 3.3Å; V564-A579 WeakPolarHBondContact O-CA 3.36Å; V564-H580 HydrophobicContact CG2-CB 4.41Å; V564-H580 PolarHBondContact N-O 3.06Å; V564-H580 PolarHBondContact O-N 3.07Å; V564-V582 HydrophobicContact CB-CG2 4.15Å; V564-V582 HydrophobicContact CG1-CG2 3.46Å; V564-V582 VanDerWaalsContact CG1-CG2 3.46Å; V564-V582 HydrophobicContact CG2-CG2 3.63Å; V564-V612 HydrophobicContact CB-CG1 3.88Å; V564-V612 HydrophobicContact CG1-CG1 3.95Å; V564-V612 HydrophobicContact CG2-CG1 4.26Å; V564-F614 HydrophobicContact CG1-CB 4.42Å; V564-F614 HydrophobicContact CG1-CD2 3.78Å; V564-F614 HydrophobicContact CG1-CE2 4.47Å; V564-F614 HydrophobicContact CG1-CG 4.41Å
565	M	95.5	Very high	92.9	Very high	42 Å²	42	48.4 Å²	48.4	21%	0.207	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.5	172.6	-58.5	-64.6	-62.9	0	0	109.1	I577 M578 A579 V612 H613 P615	M565-I577 HydrophobicContact CE-CD1 4.41Å; M565-I577 HydrophobicContact CE-CG1 3.91Å; M565-M578 CarbonylContact C-O 3.54Å; M565-M578 WeakPolarHBondContact CA-O 3.28Å; M565-A579 HydrophobicContact SD-CB 3.66Å; M565-V612 CarbonylContact O-C 3.58Å; M565-V612 WeakPolarHBondContact O-CA 3.38Å; M565-H613 HydrophobicContact CB-CB 4.24Å; M565-H613 PolarHBondContact N-O 3.48Å; M565-H613 PolarHBondContact O-N 3.11Å; M565-P615 HydrophobicContact CG-CG 4.39Å
566	L	95.2	Very high	92.6	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.1	177	-172.3	72	0	0	0	109.7	V473 I577 M578 F591 L593 Y601 M610 N611 V612	V473-L566 HydrophobicContact CG2-CD1 4.42Å; V473-L566 HydrophobicContact CG2-CD2 4.25Å; L566-I577 WeakPolarHBondContact O-CA 3.05Å; L566-M578 PolarHBondContact N-O 3.09Å; L566-M578 PolarHBondContact O-N 3.23Å; L566-F591 HydrophobicContact CD1-CD2 4.47Å; L566-L593 HydrophobicContact CD2-CD1 3.83Å; L566-L593 HydrophobicContact CD2-CD2 4.27Å; L566-Y601 HydrophobicContact CD2-CE2 4.07Å; L566-Y601 WeakPolarHBondContact O-CE1 3.08Å; L566-Y601 PolarHBondContact O-OH 3Å; L566-M610 HydrophobicContact CD1-CB 3.94Å; L566-M610 HydrophobicContact CD1-CE 4.22Å; L566-M610 HydrophobicContact CD1-SD 4.42Å; L566-M610 HydrophobicContact CD2-CE 3.55Å; L566-M610 HydrophobicContact CD2-SD 3.98Å; L566-M610 HydrophobicContact CG-CE 3.5Å; L566-M610 VanDerWaalsContact CG-CE 3.5Å; L566-M610 HydrophobicContact CG-SD 4.21Å; L566-N611 WeakPolarHBondContact CA-O 3.2Å; L566-V612 HydrophobicContact CD1-CG2 3.52Å
567	N	94.6	Very high	92.4	Very high	16 Å²	16	51 Å²	51	9%	0.086	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.4	-175.3	174.6	15.1	0	0	0	111	T571 S576 I577 M610 N611	N567-T571 PolarHBondContact OD1-OG1 3.48Å; N567-S576 WeakPolarHBondContact CA-O 3.39Å; N567-S576 PolarHBondContact OD1-O 2.88Å; N567-I577 HydrophobicContact CB-CB 4.37Å; N567-I577 HydrophobicContact CB-CD1 4.2Å; N567-I577 HydrophobicContact CB-CG1 4.11Å; N567-M610 WeakPolarHBondContact O-CA 3.44Å; N567-N611 HydrophobicContact CB-CB 4.45Å; N567-N611 PolarHBondContact N-O 3.27Å; N567-N611 PolarHBondContact O-N 3.21Å
568	R	93.2	Very high	92.2	Very high	30 Å²	30	50.9 Å²	50.9	11%	0.113	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.2	165.8	-174.4	161.8	173.9	-83.5	4.2	110.7	P570 T571 S576 Y601 N602 D608 M610	R568-P570 CarbonylContact O-C 3.47Å; R568-T571 PolarHBondContact O-N 2.98Å; R568-T571 PolarHBondContact O-OG1 3Å; R568-S576 PolarHBondContact N-O 3.24Å; R568-Y601 HydrophobicContact CB-CD1 4.16Å; R568-Y601 WeakPolarHBondContact CD-O 3.42Å; R568-Y601 PolarHBondContact NH1-O 3.27Å; R568-Y601 VanDerWaalsContact NH1-O 3.09Å; R568-N602 PolarHBondContact NH1-O 3.47Å; R568-N602 PolarHBondContact NH2-O 2.96Å; R568-D608 IonicContact CZ-OD1 3.62Å; R568-D608 IonicContact CZ-OD2 3.52Å; R568-D608 VanDerWaalsContact CZ-OD2 3.24Å; R568-D608 VanDerWaalsContact NE-CG 3.26Å; R568-D608 IonicContact NE-OD1 2.96Å; R568-D608 PolarHBondContact NE-OD1 3.34Å; R568-D608 IonicContact NE-OD2 3.22Å; R568-D608 PolarHBondContact NE-OD2 3.28Å; R568-D608 IonicContact NH2-OD1 3.95Å; R568-D608 PolarHBondContact NH2-OD1 2.92Å; R568-D608 IonicContact NH2-OD2 3.76Å; R568-D608 PolarHBondContact NH2-OD2 3.37Å; R568-M610 HydrophobicContact CB-CE 3.84Å; R568-M610 HydrophobicContact CB-CG 4.06Å; R568-M610 HydrophobicContact CG-CG 4.36Å
569	Q	89.8	Confident	92.1	Very high	110 Å²	110	50.8 Å²	50.8	51%	0.514	27%	0.273	S	S	.	.	S	Bend	trans	-87.7	135.3	172.4	-74.4	-178	-9.9	0	0	110
570	P	90.6	Very high	92.1	Very high	91 Å²	91	47.7 Å²	47.7	59%	0.591	26%	0.259	S	S	*	.	S	Bend	cis	-79.2	139.5	-1	32.1	-34.3	0	0	0	113.4	R568 L572	R568-P570 CarbonylContact O-C 3.47Å; P570-L572 HydrophobicContact CG-CG 4.42Å; P570-L572 PolarHBondContact O-N 3.3Å
571	T	89.8	Confident	92.2	Very high	67 Å²	67	46.5 Å²	46.5	41%	0.411	24%	0.244	S	C	.	.			trans	-83.7	92	176.3	-40.1	0	0	0	0	109.7	N567 R568 I577	N567-T571 PolarHBondContact OD1-OG1 3.48Å; R568-T571 PolarHBondContact O-N 2.98Å; R568-T571 PolarHBondContact O-OG1 3Å; T571-I577 HydrophobicContact CG2-CB 4.43Å; T571-I577 HydrophobicContact CG2-CG2 4.33Å
572	L	87.6	Confident	92.3	Very high	127 Å²	127	44.7 Å²	44.7	67%	0.665	23%	0.226	S	C	*	.			trans	-88.6	-30.3	-177.4	-67.6	172.6	0	0	0	113.3	P570	P570-L572 HydrophobicContact CG-CG 4.42Å; P570-L572 PolarHBondContact O-N 3.3Å
573	H	86.3	Confident	92.3	Very high	130 Å²	130	50.6 Å²	50.6	60%	0.602	25%	0.248	S	C	*	.	S	Bend	trans	-131.5	158.6	-177.2	-50.7	-62.9	0	0	0	110.3	P575 S576	H573-P575 VanDerWaalsContact C-CD 3.48Å; H573-P575 VanDerWaalsContact C-N 3.33Å; H573-S576 VanDerWaalsContact O-CB 3.27Å; H573-S576 WeakPolarHBondContact O-CB 3.48Å; H573-S576 PolarHBondContact O-N 3.43Å; H573-S576 PolarHBondContact O-OG 2.96Å
574	K	85.3	Confident	92.4	Very high	143 Å²	143	51.2 Å²	51.2	62%	0.622	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-53.6	-42.5	177.2	-172.8	-177.7	177.4	-172.9	0	112.6	S576 I577	K574-S576 PolarHBondContact O-N 3.43Å; K574-S576 VanDerWaalsContact O-N 3.12Å; K574-I577 WeakPolarHBondContact O-CG2 3.39Å; K574-I577 PolarHBondContact O-N 3.23Å; K574-I577 VanDerWaalsContact O-N 3.12Å
575	P	86.6	Confident	92.3	Very high	29 Å²	29	52.5 Å²	52.5	19%	0.188	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-66.7	-9	177.1	-21.3	34.8	0	0	0	115.2	H573 I577 M578	H573-P575 VanDerWaalsContact C-CD 3.48Å; H573-P575 VanDerWaalsContact C-N 3.33Å; P575-I577 PolarHBondContact O-N 2.89Å; P575-M578 HydrophobicContact CB-SD 4.36Å; P575-M578 VanDerWaalsContact O-CG 3.24Å; P575-M578 WeakPolarHBondContact O-CG 3.2Å
576	S	89.1	Confident	92.2	Very high	7 Å²	7	57.5 Å²	57.5	5%	0.049	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-74.2	-2.6	172.3	-51	0	0	0	0	112.6	N567 R568 H573 K574 Y601	N567-S576 WeakPolarHBondContact CA-O 3.39Å; N567-S576 PolarHBondContact OD1-O 2.88Å; R568-S576 PolarHBondContact N-O 3.24Å; H573-S576 VanDerWaalsContact O-CB 3.27Å; H573-S576 WeakPolarHBondContact O-CB 3.48Å; H573-S576 PolarHBondContact O-N 3.43Å; H573-S576 PolarHBondContact O-OG 2.96Å; K574-S576 PolarHBondContact O-N 3.43Å; K574-S576 VanDerWaalsContact O-N 3.12Å; S576-Y601 WeakPolarHBondContact O-CD1 3.38Å; S576-Y601 WeakPolarHBondContact O-CE1 3.29Å
577	I	92.5	Very high	92	Very high	62 Å²	62	64.8 Å²	64.8	32%	0.318	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	117	165.7	-173.6	166.7	0	0	0	109.6	M565 L566 N567 T571 K574 P575	M565-I577 HydrophobicContact CE-CD1 4.41Å; M565-I577 HydrophobicContact CE-CG1 3.91Å; L566-I577 WeakPolarHBondContact O-CA 3.05Å; N567-I577 HydrophobicContact CB-CB 4.37Å; N567-I577 HydrophobicContact CB-CD1 4.2Å; N567-I577 HydrophobicContact CB-CG1 4.11Å; T571-I577 HydrophobicContact CG2-CB 4.43Å; T571-I577 HydrophobicContact CG2-CG2 4.33Å; K574-I577 WeakPolarHBondContact O-CG2 3.39Å; K574-I577 PolarHBondContact O-N 3.23Å; K574-I577 VanDerWaalsContact O-N 3.12Å; P575-I577 PolarHBondContact O-N 2.89Å
578	M	93.2	Very high	92	Very high	3 Å²	3	67 Å²	67	2%	0.015	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	156.6	-178.1	-54.8	-179.7	-68.4	0	0	110.7	M565 L566 P575 T600 Y601 T630 T633	M565-M578 CarbonylContact C-O 3.54Å; M565-M578 WeakPolarHBondContact CA-O 3.28Å; L566-M578 PolarHBondContact N-O 3.09Å; L566-M578 PolarHBondContact O-N 3.23Å; P575-M578 HydrophobicContact CB-SD 4.36Å; P575-M578 VanDerWaalsContact O-CG 3.24Å; P575-M578 WeakPolarHBondContact O-CG 3.2Å; M578-T600 WeakPolarHBondContact CE-OG1 3.47Å; M578-Y601 WeakPolarHBondContact CB-OH 3.35Å; M578-Y601 HydrophobicContact CE-CD2 4.02Å; M578-Y601 HydrophobicContact CE-CE1 4.01Å; M578-Y601 HydrophobicContact CE-CE2 3.24Å; M578-Y601 WeakPolarHBondContact CE-OH 3.17Å; M578-T630 HydrophobicContact CB-CG2 4.09Å; M578-T630 HydrophobicContact CE-CG2 3.99Å; M578-T630 HydrophobicContact SD-CG2 4.1Å; M578-T633 PolarHBondContact SD-OG1 3.33Å
579	A	94.7	Very high	92.1	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	132.7	174.1	0	0	0	0	0	110.4	I563 V564 M565 G624 G628	I563-A579 HydrophobicContact CG2-CB 3.89Å; V564-A579 CarbonylContact O-C 3.52Å; V564-A579 VanDerWaalsContact O-CA 3.3Å; V564-A579 WeakPolarHBondContact O-CA 3.36Å; M565-A579 HydrophobicContact SD-CB 3.66Å; A579-G624 WeakPolarHBondContact CB-O 3.3Å; A579-G628 WeakPolarHBondContact CB-O 3.43Å; A579-G628 PolarHBondContact N-O 3.2Å
580	H	94.7	Very high	92.4	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.005	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	148.4	176.4	-71.1	-105.5	0	0	0	110.2	D471 V473 I563 V564 Y601 T630	D471-H580 CarbonylContact O-C 3.34Å; D471-H580 WeakPolarHBondContact O-CA 3.33Å; V473-H580 HydrophobicContact CB-CB 3.87Å; V473-H580 HydrophobicContact CG1-CB 3.61Å; I563-H580 WeakPolarHBondContact CA-O 3.23Å; V564-H580 HydrophobicContact CG2-CB 4.41Å; V564-H580 PolarHBondContact N-O 3.06Å; V564-H580 PolarHBondContact O-N 3.07Å; H580-Y601 PolarHBondContact CD2-OH 2.89Å; H580-Y601 AromaticContact NE2-CE2 3.82Å; H580-Y601 AromaticContact NE2-CZ 3.75Å; H580-Y601 PolarHBondContact NE2-OH 3.37Å; H580-T630 WeakPolarHBondContact CE1-CG2 3.41Å; H580-T630 WeakPolarHBondContact NE2-CG2 3.48Å
581	K	95.5	Very high	92.7	Very high	69 Å²	69	67.8 Å²	67.8	30%	0.3	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	134.3	168.4	-68.3	170.9	-173.5	159.1	0	109.3	D471 F472 V473 D562 I563	D471-K581 PolarHBondContact O-N 3.21Å; F472-K581 CarbonylContact C-O 3.56Å; F472-K581 VanDerWaalsContact CA-O 3.23Å; F472-K581 WeakPolarHBondContact CA-O 3.4Å; F472-K581 HydrophobicContact CD1-CB 3.65Å; F472-K581 WeakPolarHBondContact CD1-O 3.43Å; F472-K581 HydrophobicContact CD2-CB 4.38Å; F472-K581 HydrophobicContact CE1-CB 3.62Å; F472-K581 HydrophobicContact CE1-CD 4.32Å; F472-K581 HydrophobicContact CE2-CB 4.37Å; F472-K581 HydrophobicContact CE2-CD 4.01Å; F472-K581 HydrophobicContact CG-CB 4.08Å; F472-K581 HydrophobicContact CZ-CB 4.02Å; F472-K581 HydrophobicContact CZ-CD 3.86Å; V473-K581 PolarHBondContact N-O 2.96Å; D562-K581 CarbonylContact O-C 3.58Å; D562-K581 WeakPolarHBondContact O-CA 3.24Å; I563-K581 HydrophobicContact CD1-CG 3.73Å
582	V	96.6	Very high	93	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	130.4	179.4	174.8	0	0	0	0	110.3	I475 V558 P560 G561 D562 V564 V584	I475-V582 HydrophobicContact CB-CG1 3.89Å; I475-V582 HydrophobicContact CG1-CB 4.37Å; I475-V582 HydrophobicContact CG1-CG1 3.63Å; I475-V582 HydrophobicContact CG1-CG2 4.01Å; V558-V582 HydrophobicContact CG1-CB 4.03Å; V558-V582 HydrophobicContact CG1-CG1 3.64Å; V558-V582 HydrophobicContact CG1-CG2 3.94Å; P560-V582 CarbonylContact C-O 3.46Å; P560-V582 WeakPolarHBondContact CA-O 3.28Å; G561-V582 PolarHBondContact N-O 3.26Å; D562-V582 WeakPolarHBondContact O-CG2 3.35Å; D562-V582 PolarHBondContact O-N 3.36Å; V564-V582 HydrophobicContact CB-CG2 4.15Å; V564-V582 HydrophobicContact CG1-CG2 3.46Å; V564-V582 VanDerWaalsContact CG1-CG2 3.46Å; V564-V582 HydrophobicContact CG2-CG2 3.63Å; V582-V584 HydrophobicContact CG1-CG2 3.92Å
583	R	96.1	Very high	93.3	Very high	124 Å²	124	61.2 Å²	61.2	47%	0.468	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122	158.1	-172.3	171.6	-176.8	177	-0.3	108.2	F472 V473 G474 I475 L585	F472-R583 HydrophobicContact CD1-CB 4.01Å; V473-R583 PolarHBondContact O-N 3.45Å; G474-R583 CarbonylContact C-O 3.53Å; G474-R583 VanDerWaalsContact CA-O 3.29Å; G474-R583 WeakPolarHBondContact CA-O 3.44Å; I475-R583 PolarHBondContact N-O 2.78Å; R583-L585 HydrophobicContact CG-CD2 4.28Å
584	V	96.2	Very high	93.7	Very high	22 Å²	22	56.3 Å²	56.3	13%	0.133	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.6	179.5	-173.8	0	0	0	0	110	I475 A480 L508 P560 V582	I475-V584 WeakPolarHBondContact O-CA 3.46Å; A480-V584 HydrophobicContact CB-CG1 3.8Å; A480-V584 HydrophobicContact CB-CG2 4.12Å; L508-V584 HydrophobicContact CD1-CG1 3.56Å; L508-V584 HydrophobicContact CD2-CB 4.23Å; L508-V584 HydrophobicContact CD2-CG1 3.75Å; L508-V584 HydrophobicContact CG-CG1 4.24Å; P560-V584 HydrophobicContact CG-CG2 4.46Å; V582-V584 HydrophobicContact CG1-CG2 3.92Å
585	L	95	Very high	94	Very high	29 Å²	29	55.4 Å²	55.4	15%	0.152	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.6	-179	-58.8	177.9	0	0	0	110.9	M468 I475 E477 R583 Q588 R592	M468-L585 HydrophobicContact CE-CD1 3.93Å; M468-L585 HydrophobicContact CE-CD2 4.31Å; M468-L585 HydrophobicContact CE-CG 4.5Å; I475-L585 PolarHBondContact O-N 3.06Å; E477-L585 PolarHBondContact N-O 3.47Å; R583-L585 HydrophobicContact CG-CD2 4.28Å; L585-Q588 HydrophobicContact CB-CB 4.14Å; L585-Q588 HydrophobicContact CB-CG 3.72Å; L585-Q588 HydrophobicContact CD1-CG 4.26Å; L585-R592 HydrophobicContact CD1-CB 3.68Å; L585-R592 HydrophobicContact CD1-CG 3.3Å
586	K	93.5	Very high	94.1	Very high	146 Å²	146	56.8 Å²	56.8	64%	0.635	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	149	175.3	-63.4	-175.2	179.3	-176.9	0	110.5	Q588	K586-Q588 PolarHBondContact O-N 3.48Å; K586-Q588 VanDerWaalsContact O-N 3.08Å
587	N	92.2	Very high	94.1	Very high	154 Å²	154	56.7 Å²	56.7	82%	0.824	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	18.9	177.6	-57.2	-28.6	0	0	0	115.5
588	Q	94	Very high	93.9	Very high	63 Å²	63	54.3 Å²	54.3	29%	0.294	25%	0.251	S	S	.	.			trans	-104.3	157.2	173.9	-61.1	-57.2	-41	0	0	110.7	P476 L585 K586	P476-Q588 WeakPolarHBondContact CB-O 3.22Å; L585-Q588 HydrophobicContact CB-CB 4.14Å; L585-Q588 HydrophobicContact CB-CG 3.72Å; L585-Q588 HydrophobicContact CD1-CG 4.26Å; K586-Q588 PolarHBondContact O-N 3.48Å; K586-Q588 VanDerWaalsContact O-N 3.08Å
589	R	94.9	Very high	93.6	Very high	217 Å²	217	63.3 Å²	63.3	82%	0.819	29%	0.29	S	S	*	.			trans	-123.2	-18.3	176.3	-64.3	-170.6	179.3	-161.4	1.3	113.9	T460	T460-R589 PolarHBondContact OG1-O 3.01Å
590	T	96.5	Very high	93.3	Very high	30 Å²	30	65.7 Å²	65.7	18%	0.184	30%	0.304	C	S	.	.	S	Bend	trans	-109.3	159.4	-177.8	52.9	0	0	0	0	111.3	V461 T463 P476	V461-T590 HydrophobicContact CB-CG2 4.22Å; V461-T590 WeakPolarHBondContact O-CB 3.49Å; T463-T590 VanDerWaalsContact OG1-CB 3.3Å; T463-T590 WeakPolarHBondContact OG1-CB 3.45Å; T463-T590 PolarHBondContact OG1-OG1 2.94Å; P476-T590 WeakPolarHBondContact CD-O 3.47Å; P476-T590 WeakPolarHBondContact CG-O 3.44Å
591	F	96.8	Very high	93.1	Very high	1 Å²	1	65.8 Å²	65.8	0%	0.004	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.1	171.1	-65.6	-34.2	0	0	0	109.5	A458 T460 V461 I462 T463 G474 I475 F479 L566 M610 V612	A458-F591 HydrophobicContact CB-CZ 4.09Å; T460-F591 HydrophobicContact CG2-CB 4.13Å; T460-F591 HydrophobicContact CG2-CD1 3.54Å; T460-F591 HydrophobicContact CG2-CD2 3.38Å; T460-F591 HydrophobicContact CG2-CE1 3.65Å; T460-F591 HydrophobicContact CG2-CE2 3.51Å; T460-F591 HydrophobicContact CG2-CG 3.39Å; T460-F591 HydrophobicContact CG2-CZ 3.63Å; V461-F591 PolarHBondContact O-N 3.14Å; V461-F591 VanDerWaalsContact O-N 3.09Å; I462-F591 CarbonylContact C-O 3.53Å; I462-F591 WeakPolarHBondContact CA-O 3.34Å; I462-F591 HydrophobicContact CG2-CB 4.14Å; T463-F591 PolarHBondContact N-O 3.3Å; G474-F591 WeakPolarHBondContact O-CA 3.2Å; I475-F591 HydrophobicContact CD1-CD1 3.72Å; I475-F591 HydrophobicContact CD1-CE1 3.64Å; I475-F591 HydrophobicContact CD1-CZ 4.47Å; F479-F591 AromaticContact CD2-CE1 3.84Å; F479-F591 HydrophobicContact CD2-CE1 3.84Å; F479-F591 HydrophobicContact CD2-CZ 4.43Å; F479-F591 HydrophobicContact CE2-CE1 4.12Å; F479-F591 HydrophobicContact CE2-CZ 4.44Å; L566-F591 HydrophobicContact CD1-CD2 4.47Å; F591-M610 WeakPolarHBondContact CE2-O 3.24Å; F591-V612 HydrophobicContact CD1-CG2 4.45Å; F591-V612 HydrophobicContact CD2-CG2 4.04Å; F591-V612 HydrophobicContact CE1-CG2 3.93Å; F591-V612 HydrophobicContact CE2-CB 4.11Å; F591-V612 HydrophobicContact CE2-CG2 3.44Å; F591-V612 VanDerWaalsContact CE2-CG2 3.44Å; F591-V612 HydrophobicContact CZ-CB 3.79Å; F591-V612 HydrophobicContact CZ-CG2 3.38Å
592	R	95.7	Very high	92.9	Very high	55 Å²	55	68.6 Å²	68.6	21%	0.208	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134.5	173.2	-62.4	-58.4	-174.8	146.9	-4.4	110.2	T463 P464 D465 M468 G474 L585	T463-R592 WeakPolarHBondContact O-CA 3.48Å; P464-R592 PolarHBondContact O-NH1 3.3Å; D465-R592 HydrophobicContact CB-CB 3.8Å; D465-R592 HydrophobicContact CB-CG 4.3Å; M468-R592 HydrophobicContact CE-CB 3.95Å; M468-R592 HydrophobicContact SD-CB 4.18Å; G474-R592 PolarHBondContact N-O 3.2Å; G474-R592 PolarHBondContact O-N 2.98Å; L585-R592 HydrophobicContact CD1-CB 3.68Å; L585-R592 HydrophobicContact CD1-CG 3.3Å
593	L	94.6	Very high	92.6	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144.2	-175.5	-167.3	67.4	0	0	0	110.7	T463 D465 L566 T597 Y601 F605 M610	T463-L593 PolarHBondContact O-N 3.43Å; D465-L593 PolarHBondContact N-O 3.3Å; L566-L593 HydrophobicContact CD2-CD1 3.83Å; L566-L593 HydrophobicContact CD2-CD2 4.27Å; L593-T597 WeakPolarHBondContact CD1-OG1 3.14Å; L593-T597 VanDerWaalsContact CD2-OG1 3.28Å; L593-T597 WeakPolarHBondContact CD2-OG1 3.35Å; L593-T597 WeakPolarHBondContact CG-OG1 3.32Å; L593-Y601 HydrophobicContact CD2-CD2 4.28Å; L593-Y601 HydrophobicContact CD2-CE2 4.44Å; L593-F605 HydrophobicContact CB-CE1 4.43Å; L593-M610 HydrophobicContact CD2-SD 4.08Å
594	N	93.5	Very high	92.4	Very high	26 Å²	26	68.2 Å²	68.2	14%	0.139	33%	0.332	C	S	.	.			trans	-72.7	136.6	173.8	-174.9	-40.6	0	0	0	110.8	M468 A596 T597	M468-N594 WeakPolarHBondContact O-CB 3.02Å; M468-N594 PolarHBondContact O-ND2 3.5Å; N594-A596 PolarHBondContact O-N 2.84Å; N594-A596 VanDerWaalsContact O-N 3.15Å; N594-A596 WeakPolarHBondContact OD1-CB 3.36Å; N594-A596 PolarHBondContact OD1-N 3.48Å; N594-T597 PolarHBondContact O-N 2.92Å; N594-T597 VanDerWaalsContact O-N 3.13Å; N594-T597 PolarHBondContact O-OG1 3.37Å
595	Y	91.9	Very high	92.2	Very high	125 Å²	125	69.4 Å²	69.4	49%	0.49	34%	0.335	S	S	.	.	H	α-helix	trans	-49.2	-36.1	175.2	-65.2	-79.7	0	0	0	114.5	P464 P466 T597 C598 F605	P464-Y595 HydrophobicContact CB-CD1 4.14Å; P464-Y595 HydrophobicContact CB-CE1 3.37Å; P464-Y595 HydrophobicContact CB-CE2 3.89Å; P464-Y595 VanDerWaalsContact CB-OH 3.26Å; P464-Y595 WeakPolarHBondContact CB-OH 3.21Å; P464-Y595 HydrophobicContact CG-CE1 4.1Å; P466-Y595 HydrophobicContact CB-CD2 4.32Å; P466-Y595 HydrophobicContact CB-CE2 3.97Å; P466-Y595 HydrophobicContact CG-CE2 4.38Å; Y595-T597 PolarHBondContact O-N 3.11Å; Y595-C598 WeakPolarHBondContact O-CB 3.13Å; Y595-C598 PolarHBondContact O-N 2.91Å; Y595-C598 VanDerWaalsContact O-N 3.1Å; Y595-F605 HydrophobicContact CD1-CD2 4.35Å; Y595-F605 AromaticContact CD1-CE2 3.66Å; Y595-F605 HydrophobicContact CD1-CE2 3.66Å; Y595-F605 HydrophobicContact CE1-CD2 4.3Å; Y595-F605 AromaticContact CE1-CE2 3.92Å; Y595-F605 HydrophobicContact CE1-CE2 3.92Å; Y595-F605 HydrophobicContact CG-CE2 4.5Å
596	A	89.6	Confident	92.1	Very high	58 Å²	58	73.7 Å²	73.7	48%	0.479	36%	0.358	S	S	.	.	H	α-helix	trans	-59.7	-30.2	-177.8	0	0	0	0	0	112.8	I470 N594	I470-A596 HydrophobicContact CD1-CB 4.11Å; I470-A596 HydrophobicContact CG1-CB 4.14Å; I470-A596 HydrophobicContact CG2-CB 4.45Å; N594-A596 PolarHBondContact O-N 2.84Å; N594-A596 VanDerWaalsContact O-N 3.15Å; N594-A596 WeakPolarHBondContact OD1-CB 3.36Å; N594-A596 PolarHBondContact OD1-N 3.48Å
597	T	88.5	Confident	92.1	Very high	4 Å²	4	68.8 Å²	68.8	3%	0.025	35%	0.349	C	S	.	.	H	α-helix	trans	-84.8	-14.6	-179.1	66.6	0	0	0	0	113.2	I470 L593 N594 Y595 K599 T600 Y601	I470-T597 HydrophobicContact CG2-CG2 3.6Å; I470-T597 WeakPolarHBondContact O-CG2 2.99Å; L593-T597 WeakPolarHBondContact CD1-OG1 3.14Å; L593-T597 VanDerWaalsContact CD2-OG1 3.28Å; L593-T597 WeakPolarHBondContact CD2-OG1 3.35Å; L593-T597 WeakPolarHBondContact CG-OG1 3.32Å; N594-T597 PolarHBondContact O-N 2.92Å; N594-T597 VanDerWaalsContact O-N 3.13Å; N594-T597 PolarHBondContact O-OG1 3.37Å; Y595-T597 PolarHBondContact O-N 3.11Å; T597-K599 VanDerWaalsContact C-N 3.27Å; T597-K599 PolarHBondContact O-N 3.07Å; T597-T600 PolarHBondContact O-N 3.35Å; T597-T600 PolarHBondContact O-OG1 3.16Å; T597-Y601 VanDerWaalsContact O-CD2 3.31Å; T597-Y601 WeakPolarHBondContact O-CD2 3.46Å; T597-Y601 PolarHBondContact O-N 2.93Å
598	C	88	Confident	92.1	Very high	13 Å²	13	62.5 Å²	62.5	9%	0.088	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-35.5	-174.3	-66.4	0	0	0	0	112.9	Y595 T600 Y601 N602 A603 F605	Y595-C598 WeakPolarHBondContact O-CB 3.13Å; Y595-C598 PolarHBondContact O-N 2.91Å; Y595-C598 VanDerWaalsContact O-N 3.1Å; C598-T600 VanDerWaalsContact C-N 3.35Å; C598-T600 PolarHBondContact O-N 2.66Å; C598-Y601 CarbonylContact O-C 3.01Å; C598-Y601 PolarHBondContact O-N 3.18Å; C598-N602 WeakPolarHBondContact O-CA 3.34Å; C598-N602 PolarHBondContact O-N 3.48Å; C598-A603 WeakPolarHBondContact CB-O 3.22Å; C598-A603 PolarHBondContact O-N 2.73Å; C598-F605 WeakPolarHBondContact SG-CE2 3.37Å; C598-F605 WeakPolarHBondContact SG-CZ 3.47Å
599	K	87.7	Confident	92.2	Very high	192 Å²	192	63.6 Å²	63.6	84%	0.835	32%	0.32	S	S	*	.	H	α-helix	trans	-64	-36.5	179.2	-171.1	173.1	-178.4	177.3	0	112.8	T597 Y601 N602	T597-K599 VanDerWaalsContact C-N 3.27Å; T597-K599 PolarHBondContact O-N 3.07Å; K599-Y601 VanDerWaalsContact C-N 3.33Å; K599-N602 PolarHBondContact O-N 3.1Å
600	T	87.9	Confident	92.3	Very high	50 Å²	50	53.2 Å²	53.2	31%	0.307	28%	0.281	S	S	.	.	H	α-helix	trans	-72.1	-31.3	179.9	59.9	0	0	0	0	111.9	M578 T597 C598	M578-T600 WeakPolarHBondContact CE-OG1 3.47Å; T597-T600 PolarHBondContact O-N 3.35Å; T597-T600 PolarHBondContact O-OG1 3.16Å; C598-T600 VanDerWaalsContact C-N 3.35Å; C598-T600 PolarHBondContact O-N 2.66Å
601	Y	91.5	Very high	92.3	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-85.4	-8.8	173.3	-66.4	-64.8	0	0	0	114	L566 R568 S576 M578 H580 L593 T597 C598 K599 A603 M610	L566-Y601 HydrophobicContact CD2-CE2 4.07Å; L566-Y601 WeakPolarHBondContact O-CE1 3.08Å; L566-Y601 PolarHBondContact O-OH 3Å; R568-Y601 HydrophobicContact CB-CD1 4.16Å; R568-Y601 WeakPolarHBondContact CD-O 3.42Å; R568-Y601 PolarHBondContact NH1-O 3.27Å; R568-Y601 VanDerWaalsContact NH1-O 3.09Å; S576-Y601 WeakPolarHBondContact O-CD1 3.38Å; S576-Y601 WeakPolarHBondContact O-CE1 3.29Å; M578-Y601 WeakPolarHBondContact CB-OH 3.35Å; M578-Y601 HydrophobicContact CE-CD2 4.02Å; M578-Y601 HydrophobicContact CE-CE1 4.01Å; M578-Y601 HydrophobicContact CE-CE2 3.24Å; M578-Y601 WeakPolarHBondContact CE-OH 3.17Å; H580-Y601 PolarHBondContact CD2-OH 2.89Å; H580-Y601 AromaticContact NE2-CE2 3.82Å; H580-Y601 AromaticContact NE2-CZ 3.75Å; H580-Y601 PolarHBondContact NE2-OH 3.37Å; L593-Y601 HydrophobicContact CD2-CD2 4.28Å; L593-Y601 HydrophobicContact CD2-CE2 4.44Å; T597-Y601 VanDerWaalsContact O-CD2 3.31Å; T597-Y601 WeakPolarHBondContact O-CD2 3.46Å; T597-Y601 PolarHBondContact O-N 2.93Å; C598-Y601 CarbonylContact O-C 3.01Å; C598-Y601 PolarHBondContact O-N 3.18Å; K599-Y601 VanDerWaalsContact C-N 3.33Å; Y601-A603 VanDerWaalsContact C-N 3.25Å; Y601-A603 PolarHBondContact O-N 3.33Å; Y601-M610 HydrophobicContact CD1-CE 3.34Å; Y601-M610 HydrophobicContact CD2-CE 3.63Å; Y601-M610 HydrophobicContact CE1-CE 3.52Å; Y601-M610 HydrophobicContact CE2-CE 3.8Å; Y601-M610 HydrophobicContact CG-CE 3.39Å
602	N	90.2	Very high	92.3	Very high	127 Å²	127	52.7 Å²	52.7	68%	0.679	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	42.7	-169.5	-168.8	43.7	0	0	0	112.4	R568 C598 K599	R568-N602 PolarHBondContact NH1-O 3.47Å; R568-N602 PolarHBondContact NH2-O 2.96Å; C598-N602 WeakPolarHBondContact O-CA 3.34Å; C598-N602 PolarHBondContact O-N 3.48Å; K599-N602 PolarHBondContact O-N 3.1Å
603	A	91.5	Very high	92.4	Very high	11 Å²	11	52.7 Å²	52.7	9%	0.091	28%	0.28	C	S	.	.			trans	-105.3	144.6	-173.9	0	0	0	0	0	112.1	I462 C598 Y601 D608	I462-A603 HydrophobicContact CD1-CB 3.84Å; C598-A603 WeakPolarHBondContact CB-O 3.22Å; C598-A603 PolarHBondContact O-N 2.73Å; Y601-A603 VanDerWaalsContact C-N 3.25Å; Y601-A603 PolarHBondContact O-N 3.33Å; A603-D608 WeakPolarHBondContact CA-OD2 3.48Å; A603-D608 WeakPolarHBondContact CB-OD2 3.32Å
604	D	89.9	Confident	92.5	Very high	106 Å²	106	53 Å²	53	57%	0.567	28%	0.281	S	S	*	.			trans	-131.8	18.2	-173.6	55.3	-7.7	0	0	0	115.6	D606 D608	D604-D606 PolarHBondContact O-N 3.12Å; D604-D606 VanDerWaalsContact O-N 3.08Å; D604-D608 PolarHBondContact N-OD2 3.34Å; D604-D608 VanDerWaalsContact N-OD2 3.11Å
605	F	92.2	Very high	92.7	Very high	46 Å²	46	52.7 Å²	52.7	20%	0.202	28%	0.28	C	S	.	.	S	Bend	trans	54.6	23.7	172.4	-60.9	-67	0	0	0	115.7	I462 T463 P464 L593 Y595 C598 G607	I462-F605 HydrophobicContact CB-CD1 4.24Å; I462-F605 HydrophobicContact CB-CE1 4.21Å; I462-F605 HydrophobicContact CD1-CD1 3.71Å; I462-F605 HydrophobicContact CD1-CE1 3.77Å; I462-F605 HydrophobicContact CG1-CD1 3.73Å; I462-F605 HydrophobicContact CG1-CE1 4.04Å; T463-F605 VanDerWaalsContact C-CE1 3.47Å; P464-F605 HydrophobicContact CB-CD1 4.33Å; P464-F605 HydrophobicContact CB-CD2 4.02Å; P464-F605 HydrophobicContact CB-CE1 4.04Å; P464-F605 HydrophobicContact CB-CE2 3.68Å; P464-F605 HydrophobicContact CB-CG 4.33Å; P464-F605 HydrophobicContact CB-CZ 3.69Å; P464-F605 VanDerWaalsContact CD-CD1 3.47Å; P464-F605 HydrophobicContact CG-CD1 4.4Å; P464-F605 HydrophobicContact CG-CD2 4.25Å; P464-F605 HydrophobicContact CG-CE2 4.4Å; P464-F605 HydrophobicContact CG-CG 4.24Å; P464-F605 VanDerWaalsContact N-CE1 3.33Å; L593-F605 HydrophobicContact CB-CE1 4.43Å; Y595-F605 HydrophobicContact CD1-CD2 4.35Å; Y595-F605 AromaticContact CD1-CE2 3.66Å; Y595-F605 HydrophobicContact CD1-CE2 3.66Å; Y595-F605 HydrophobicContact CE1-CD2 4.3Å; Y595-F605 AromaticContact CE1-CE2 3.92Å; Y595-F605 HydrophobicContact CE1-CE2 3.92Å; Y595-F605 HydrophobicContact CG-CE2 4.5Å; C598-F605 WeakPolarHBondContact SG-CE2 3.37Å; C598-F605 WeakPolarHBondContact SG-CZ 3.47Å; F605-G607 VanDerWaalsContact C-N 3.32Å; F605-G607 PolarHBondContact O-N 2.88Å
606	D	93.3	Very high	92.8	Very high	120 Å²	120	49.3 Å²	49.3	64%	0.642	27%	0.269	S	S	*	.	S	Bend	trans	-87.2	3.3	-178.7	72.7	-18.3	0	0	0	114.2	D604 D608	D604-D606 PolarHBondContact O-N 3.12Å; D604-D606 VanDerWaalsContact O-N 3.08Å; D606-D608 PolarHBondContact OD1-N 2.91Å
607	G	93	Very high	93	Very high	42 Å²	42	50.5 Å²	50.5	43%	0.433	27%	0.267	S	S	.	.	S	Bend	trans	126.6	-2.8	-166.5	0	0	0	0	0	113.2	F605 E609	F605-G607 VanDerWaalsContact C-N 3.32Å; F605-G607 PolarHBondContact O-N 2.88Å; G607-E609 PolarHBondContact O-N 3.22Å
608	D	93.8	Very high	93.3	Very high	23 Å²	23	54.9 Å²	54.9	12%	0.123	29%	0.287	C	S	.	.			trans	-41.9	128.7	171.6	-92.2	-24.3	0	0	0	115	V461 I462 R568 A603 D604 D606	V461-D608 VanDerWaalsContact CA-O 3.29Å; V461-D608 WeakPolarHBondContact CA-O 3.2Å; I462-D608 HydrophobicContact CD1-CB 4.11Å; I462-D608 HydrophobicContact CG1-CB 3.98Å; I462-D608 WeakPolarHBondContact CG1-O 3.42Å; I462-D608 PolarHBondContact N-O 3.47Å; R568-D608 IonicContact CZ-OD1 3.62Å; R568-D608 IonicContact CZ-OD2 3.52Å; R568-D608 VanDerWaalsContact CZ-OD2 3.24Å; R568-D608 VanDerWaalsContact NE-CG 3.26Å; R568-D608 IonicContact NE-OD1 2.96Å; R568-D608 PolarHBondContact NE-OD1 3.34Å; R568-D608 IonicContact NE-OD2 3.22Å; R568-D608 PolarHBondContact NE-OD2 3.28Å; R568-D608 IonicContact NH2-OD1 3.95Å; R568-D608 PolarHBondContact NH2-OD1 2.92Å; R568-D608 IonicContact NH2-OD2 3.76Å; R568-D608 PolarHBondContact NH2-OD2 3.37Å; A603-D608 WeakPolarHBondContact CA-OD2 3.48Å; A603-D608 WeakPolarHBondContact CB-OD2 3.32Å; D604-D608 PolarHBondContact N-OD2 3.34Å; D604-D608 VanDerWaalsContact N-OD2 3.11Å; D606-D608 PolarHBondContact OD1-N 2.91Å
609	E	95.6	Very high	93.6	Very high	85 Å²	85	60 Å²	60	40%	0.397	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.3	175	-63.1	-177.5	159.1	0	0	111.5	R459 T460 V461 G607	R459-E609 HydrophobicContact CG-CB 4.31Å; R459-E609 IonicContact CZ-OE2 3.94Å; R459-E609 IonicContact NE-OE2 2.96Å; R459-E609 PolarHBondContact NE-OE2 2.95Å; R459-E609 IonicContact NH1-OE2 2.88Å; R459-E609 IonicContact NH2-OE2 2.84Å; R459-E609 PolarHBondContact NH2-OE2 3.11Å; T460-E609 WeakPolarHBondContact O-CA 3.34Å; V461-E609 HydrophobicContact CG2-CG 4.15Å; G607-E609 PolarHBondContact O-N 3.22Å
610	M	96.3	Very high	94	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	152.8	173.1	-65.3	-175.1	82.6	0	0	111.4	R459 T460 I462 L566 N567 R568 F591 L593 Y601	R459-M610 WeakPolarHBondContact CA-O 3.19Å; T460-M610 PolarHBondContact N-O 2.96Å; T460-M610 PolarHBondContact O-N 2.99Å; T460-M610 VanDerWaalsContact O-N 3.08Å; I462-M610 HydrophobicContact CD1-CG 4.46Å; I462-M610 HydrophobicContact CD1-SD 3.99Å; I462-M610 HydrophobicContact CG2-CB 3.85Å; I462-M610 HydrophobicContact CG2-CG 3.6Å; I462-M610 HydrophobicContact CG2-SD 3.52Å; I462-M610 VanDerWaalsContact CG2-SD 3.52Å; L566-M610 HydrophobicContact CD1-CB 3.94Å; L566-M610 HydrophobicContact CD1-CE 4.22Å; L566-M610 HydrophobicContact CD1-SD 4.42Å; L566-M610 HydrophobicContact CD2-CE 3.55Å; L566-M610 HydrophobicContact CD2-SD 3.98Å; L566-M610 HydrophobicContact CG-CE 3.5Å; L566-M610 VanDerWaalsContact CG-CE 3.5Å; L566-M610 HydrophobicContact CG-SD 4.21Å; N567-M610 WeakPolarHBondContact O-CA 3.44Å; R568-M610 HydrophobicContact CB-CE 3.84Å; R568-M610 HydrophobicContact CB-CG 4.06Å; R568-M610 HydrophobicContact CG-CG 4.36Å; F591-M610 WeakPolarHBondContact CE2-O 3.24Å; L593-M610 HydrophobicContact CD2-SD 4.08Å; Y601-M610 HydrophobicContact CD1-CE 3.34Å; Y601-M610 HydrophobicContact CD2-CE 3.63Å; Y601-M610 HydrophobicContact CE1-CE 3.52Å; Y601-M610 HydrophobicContact CE2-CE 3.8Å; Y601-M610 HydrophobicContact CG-CE 3.39Å
611	N	97	Very high	94.3	Very high	20 Å²	20	52 Å²	52	11%	0.107	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.1	175.7	-60.9	-56.8	0	0	0	110.1	A458 R459 L566 N567	A458-N611 CarbonylContact O-C 3.58Å; A458-N611 WeakPolarHBondContact O-CA 3.49Å; R459-N611 WeakPolarHBondContact CB-OD1 3.36Å; R459-N611 VanDerWaalsContact CD-OD1 3.23Å; R459-N611 WeakPolarHBondContact CD-OD1 3.12Å; R459-N611 VanDerWaalsContact CG-OD1 3.23Å; R459-N611 WeakPolarHBondContact CG-OD1 3.11Å; L566-N611 WeakPolarHBondContact CA-O 3.2Å; N567-N611 HydrophobicContact CB-CB 4.45Å; N567-N611 PolarHBondContact N-O 3.27Å; N567-N611 PolarHBondContact O-N 3.21Å
612	V	96.8	Very high	94.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.1	169.8	164.7	0	0	0	0	107.9	A457 A458 I475 V564 M565 L566 F591	A457-V612 CarbonylContact C-O 3.35Å; A457-V612 WeakPolarHBondContact CA-O 3.4Å; A457-V612 WeakPolarHBondContact CB-O 3.41Å; A458-V612 PolarHBondContact N-O 3.05Å; A458-V612 PolarHBondContact O-N 3.31Å; I475-V612 HydrophobicContact CD1-CG1 4.31Å; I475-V612 HydrophobicContact CD1-CG2 3.89Å; V564-V612 HydrophobicContact CB-CG1 3.88Å; V564-V612 HydrophobicContact CG1-CG1 3.95Å; V564-V612 HydrophobicContact CG2-CG1 4.26Å; M565-V612 CarbonylContact O-C 3.58Å; M565-V612 WeakPolarHBondContact O-CA 3.38Å; L566-V612 HydrophobicContact CD1-CG2 3.52Å; F591-V612 HydrophobicContact CD1-CG2 4.45Å; F591-V612 HydrophobicContact CD2-CG2 4.04Å; F591-V612 HydrophobicContact CE1-CG2 3.93Å; F591-V612 HydrophobicContact CE2-CB 4.11Å; F591-V612 HydrophobicContact CE2-CG2 3.44Å; F591-V612 VanDerWaalsContact CE2-CG2 3.44Å; F591-V612 HydrophobicContact CZ-CB 3.79Å; F591-V612 HydrophobicContact CZ-CG2 3.38Å
613	H	97.2	Very high	94.6	Very high	54 Å²	54	53.5 Å²	53.5	25%	0.25	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.5	171.1	-55.1	-82.7	0	0	0	109	M565 P615	M565-H613 HydrophobicContact CB-CB 4.24Å; M565-H613 PolarHBondContact N-O 3.48Å; M565-H613 PolarHBondContact O-N 3.11Å; H613-P615 WeakPolarHBondContact O-CD 3.49Å
614	F	97.2	Very high	94.6	Very high	7 Å²	7	53.2 Å²	53.2	3%	0.031	29%	0.288	C	S	.	.			trans	-104.8	104.7	-177.9	-173	-147.4	0	0	0	111.2	F456 L483 F485 V558 D562 V564 Q616	F456-F614 WeakPolarHBondContact O-CB 3.5Å; F456-F614 PolarHBondContact O-N 3Å; L483-F614 HydrophobicContact CB-CD1 4.16Å; F485-F614 HydrophobicContact CB-CE1 3.65Å; F485-F614 HydrophobicContact CB-CZ 3.64Å; F485-F614 HydrophobicContact CD2-CZ 4.19Å; F485-F614 HydrophobicContact CG-CZ 4.26Å; V558-F614 HydrophobicContact CG2-CD1 3.89Å; V558-F614 HydrophobicContact CG2-CE1 3.55Å; V558-F614 HydrophobicContact CG2-CE2 4.49Å; V558-F614 HydrophobicContact CG2-CG 4.46Å; V558-F614 HydrophobicContact CG2-CZ 3.88Å; D562-F614 HydrophobicContact CB-CE2 3.99Å; D562-F614 HydrophobicContact CB-CZ 4.3Å; V564-F614 HydrophobicContact CG1-CB 4.42Å; V564-F614 HydrophobicContact CG1-CD2 3.78Å; V564-F614 HydrophobicContact CG1-CE2 4.47Å; V564-F614 HydrophobicContact CG1-CG 4.41Å; F614-Q616 PolarHBondContact O-NE2 3.16Å
615	P	96.6	Very high	94.6	Very high	20 Å²	20	53.3 Å²	53.3	13%	0.13	28%	0.283	C	S	.	.			trans	-57	139.9	-179.7	-23	34.1	0	0	0	112.2	F485 I563 M565 H613 A620 R621	F485-P615 WeakPolarHBondContact CD2-O 3.49Å; F485-P615 WeakPolarHBondContact CE2-O 3.38Å; I563-P615 WeakPolarHBondContact O-CD 3.22Å; M565-P615 HydrophobicContact CG-CG 4.39Å; H613-P615 WeakPolarHBondContact O-CD 3.49Å; P615-A620 HydrophobicContact CB-CB 3.85Å; P615-R621 HydrophobicContact CB-CG 4.25Å
616	Q	95.6	Very high	94.5	Very high	54 Å²	54	56.9 Å²	56.9	25%	0.252	30%	0.3	S	S	.	.			trans	-105.6	4.2	-169.4	-66.4	-63.4	-64.8	0	0	114.5	F456 T484 P486 F614	F456-Q616 HydrophobicContact CB-CG 4.2Å; F456-Q616 HydrophobicContact CD2-CG 3.58Å; F456-Q616 HydrophobicContact CE2-CG 4.07Å; F456-Q616 HydrophobicContact CG-CG 3.9Å; T484-Q616 PolarHBondContact O-NE2 3.48Å; T484-Q616 PolarHBondContact O-OE1 3.5Å; P486-Q616 VanDerWaalsContact CD-OE1 3.26Å; P486-Q616 WeakPolarHBondContact CG-O 3.25Å; F614-Q616 PolarHBondContact O-NE2 3.16Å
617	N	94	Very high	94.2	Very high	83 Å²	83	56.3 Å²	56.3	44%	0.444	30%	0.296	S	S	.	.	S	Bend	trans	-139.7	162.1	175.3	64.9	20.8	0	0	0	111	I619 A620 R621	N617-I619 VanDerWaalsContact C-N 3.31Å; N617-I619 PolarHBondContact O-N 2.98Å; N617-A620 WeakPolarHBondContact OD1-CB 3.37Å; N617-A620 PolarHBondContact OD1-N 2.93Å; N617-R621 WeakPolarHBondContact O-CG 3.17Å; N617-R621 PolarHBondContact O-N 3.43Å
618	H	93.9	Very high	93.7	Very high	97 Å²	97	55.1 Å²	55.1	45%	0.449	28%	0.284	S	S	.	.	H	α-helix	trans	-68.9	-29.7	-178.5	-67.9	-79.8	0	0	0	113	F485 E487 R621 A622	F485-H618 AromaticContact CE1-CE1 3.68Å; F485-H618 AromaticContact CE1-NE2 3.66Å; F485-H618 AromaticContact CZ-CE1 3.86Å; F485-H618 AromaticContact CZ-NE2 3.85Å; E487-H618 IonicContact OE1-CE1 3.79Å; E487-H618 PolarHBondContact OE1-CE1 3.14Å; E487-H618 VanDerWaalsContact OE1-CE1 3.28Å; E487-H618 IonicContact OE1-NE2 3.56Å; H618-R621 PolarHBondContact O-N 2.71Å; H618-A622 WeakPolarHBondContact O-CB 3.25Å; H618-A622 PolarHBondContact O-N 2.91Å
619	I	95.2	Very high	93.1	Very high	121 Å²	121	54.8 Å²	54.8	62%	0.621	28%	0.283	S	S	*	.	H	α-helix	trans	-62.4	-51.6	177.4	-60.4	174.3	0	0	0	110.2	N617 R621 A622 E623	N617-I619 VanDerWaalsContact C-N 3.31Å; N617-I619 PolarHBondContact O-N 2.98Å; I619-R621 VanDerWaalsContact C-N 3.29Å; I619-R621 PolarHBondContact O-N 3.06Å; I619-A622 WeakPolarHBondContact O-CB 3.39Å; I619-A622 PolarHBondContact O-N 3.43Å; I619-A622 VanDerWaalsContact O-N 3.12Å; I619-E623 PolarHBondContact O-N 3.06Å
620	A	94.9	Very high	92	Very high	30 Å²	30	51 Å²	51	25%	0.248	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-29.3	178.1	0	0	0	0	0	112.6	P615 N617 G624	P615-A620 HydrophobicContact CB-CB 3.85Å; N617-A620 WeakPolarHBondContact OD1-CB 3.37Å; N617-A620 PolarHBondContact OD1-N 2.93Å; A620-G624 PolarHBondContact O-N 2.89Å
621	R	94.4	Very high	90.8	Very high	43 Å²	43	53.9 Å²	53.9	16%	0.162	29%	0.286	C	S	.	.	H	α-helix	trans	-66.2	-40.9	170.8	-74	178.8	63.8	-177.3	7.6	111.9	F485 E487 D562 P615 N617 H618 I619 G624 K625	F485-R621 VanDerWaalsContact CE2-CD 3.45Å; F485-R621 HydrophobicContact CE2-CG 4.25Å; E487-R621 IonicContact OE2-NH1 3.73Å; D562-R621 IonicContact OD1-CZ 2.73Å; D562-R621 IonicContact OD1-NH1 2.77Å; D562-R621 IonicContact OD1-NH2 2.69Å; D562-R621 PolarHBondContact OD1-NH2 2.89Å; P615-R621 HydrophobicContact CB-CG 4.25Å; N617-R621 WeakPolarHBondContact O-CG 3.17Å; N617-R621 PolarHBondContact O-N 3.43Å; H618-R621 PolarHBondContact O-N 2.71Å; I619-R621 VanDerWaalsContact C-N 3.29Å; I619-R621 PolarHBondContact O-N 3.06Å; R621-G624 PolarHBondContact O-N 3.4Å; R621-K625 WeakPolarHBondContact O-CB 3.34Å; R621-K625 PolarHBondContact O-N 2.89Å
622	A	94.8	Very high	89.2	Confident	51 Å²	51	58.2 Å²	58.2	42%	0.421	31%	0.308	S	S	.	.	H	α-helix	trans	-65.4	-45.8	175.8	0	0	0	0	0	110.8	H618 I619 G624 K625 E626	H618-A622 WeakPolarHBondContact O-CB 3.25Å; H618-A622 PolarHBondContact O-N 2.91Å; I619-A622 WeakPolarHBondContact O-CB 3.39Å; I619-A622 PolarHBondContact O-N 3.43Å; I619-A622 VanDerWaalsContact O-N 3.12Å; A622-G624 PolarHBondContact O-N 3.42Å; A622-K625 PolarHBondContact O-N 3.39Å; A622-E626 WeakPolarHBondContact O-CB 3.43Å; A622-E626 WeakPolarHBondContact O-CG 3.44Å; A622-E626 PolarHBondContact O-N 3.37Å
623	E	93.8	Very high	87.5	Confident	111 Å²	111	59.5 Å²	59.5	52%	0.519	32%	0.316	S	S	.	.	H	α-helix	trans	-59.6	-44.5	174.3	-70.7	178	176.1	0	0	112.2	I619 K625 I627 G628	I619-E623 PolarHBondContact O-N 3.06Å; E623-K625 VanDerWaalsContact C-N 3.33Å; E623-K625 PolarHBondContact O-N 2.95Å; E623-I627 HydrophobicContact CG-CD1 4.4Å; E623-I627 WeakPolarHBondContact O-CA 3.37Å; E623-I627 VanDerWaalsContact O-CB 3.3Å; E623-I627 WeakPolarHBondContact O-CB 3.25Å; E623-I627 PolarHBondContact O-N 3.49Å; E623-G628 PolarHBondContact O-N 3.5Å; E623-G628 VanDerWaalsContact O-N 3.09Å
624	G	91.3	Very high	85.8	Confident	4 Å²	4	61.7 Å²	61.7	4%	0.041	33%	0.333	C	S	.	.	H	α-helix	trans	-57.8	-46.9	174.8	0	0	0	0	0	111.6	A579 A620 R621 A622 G628 T629	A579-G624 WeakPolarHBondContact CB-O 3.3Å; A620-G624 PolarHBondContact O-N 2.89Å; R621-G624 PolarHBondContact O-N 3.4Å; A622-G624 PolarHBondContact O-N 3.42Å; G624-G628 CarbonylContact O-C 3.58Å; G624-G628 WeakPolarHBondContact O-CA 3.35Å; G624-G628 PolarHBondContact O-N 3Å; G624-T629 PolarHBondContact O-N 2.64Å; G624-T629 VanDerWaalsContact O-N 3.09Å; G624-T629 PolarHBondContact O-OG1 3.19Å
625	K	89.7	Confident	84.1	Confident	109 Å²	109	69.3 Å²	69.3	47%	0.474	37%	0.367	S	S	.	.	H	α-helix	trans	-69.6	-41.3	-177.8	-170.9	-172.9	170.8	-152.9	0	113.5	I563 R621 A622 E623 T629	I563-K625 HydrophobicContact CD1-CB 4.45Å; I563-K625 HydrophobicContact CG1-CB 4.29Å; R621-K625 WeakPolarHBondContact O-CB 3.34Å; R621-K625 PolarHBondContact O-N 2.89Å; A622-K625 PolarHBondContact O-N 3.39Å; E623-K625 VanDerWaalsContact C-N 3.33Å; E623-K625 PolarHBondContact O-N 2.95Å; K625-T629 VanDerWaalsContact C-OG1 3.3Å; K625-T629 WeakPolarHBondContact CA-OG1 3.44Å; K625-T629 WeakPolarHBondContact O-CB 3.49Å; K625-T629 PolarHBondContact O-OG1 3.38Å
626	E	89.8	Confident	82.1	Confident	120 Å²	120	70.2 Å²	70.2	56%	0.561	37%	0.373	S	S	*	.	H	α-helix	trans	-97.8	-23.9	-170.8	-57.2	-57.8	147.9	0	0	113.3	A622 L632	A622-E626 WeakPolarHBondContact O-CB 3.43Å; A622-E626 WeakPolarHBondContact O-CG 3.44Å; A622-E626 PolarHBondContact O-N 3.37Å; E626-L632 WeakPolarHBondContact O-CD1 3.42Å
627	I	88	Confident	80.2	Confident	108 Å²	108	75.4 Å²	75.4	55%	0.554	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	-40	-176.5	-54	172.6	0	0	0	111.5	E623	E623-I627 HydrophobicContact CG-CD1 4.4Å; E623-I627 WeakPolarHBondContact O-CA 3.37Å; E623-I627 VanDerWaalsContact O-CB 3.3Å; E623-I627 WeakPolarHBondContact O-CB 3.25Å; E623-I627 PolarHBondContact O-N 3.49Å
628	G	81.5	Confident	78.1	Confident	17 Å²	17	76.7 Å²	76.7	18%	0.175	41%	0.413	C	S	.	.	S	Bend	trans	-90.4	-4.4	-173.1	0	0	0	0	0	115.5	A579 E623 G624	A579-G628 WeakPolarHBondContact CB-O 3.43Å; A579-G628 PolarHBondContact N-O 3.2Å; E623-G628 PolarHBondContact O-N 3.5Å; E623-G628 VanDerWaalsContact O-N 3.09Å; G624-G628 CarbonylContact O-C 3.58Å; G624-G628 WeakPolarHBondContact O-CA 3.35Å; G624-G628 PolarHBondContact O-N 3Å
629	T	81.5	Confident	75.5	Confident	16 Å²	16	77.1 Å²	77.1	10%	0.098	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-66	140.7	-171.9	-79.6	0	0	0	0	112.8	G624 K625 S631 L632 T633	G624-T629 PolarHBondContact O-N 2.64Å; G624-T629 VanDerWaalsContact O-N 3.09Å; G624-T629 PolarHBondContact O-OG1 3.19Å; K625-T629 VanDerWaalsContact C-OG1 3.3Å; K625-T629 WeakPolarHBondContact CA-OG1 3.44Å; K625-T629 WeakPolarHBondContact O-CB 3.49Å; K625-T629 PolarHBondContact O-OG1 3.38Å; T629-S631 VanDerWaalsContact C-N 3.29Å; T629-S631 WeakPolarHBondContact CG2-OG 3.29Å; T629-S631 PolarHBondContact O-N 3.25Å; T629-L632 PolarHBondContact O-N 3.03Å; T629-L632 VanDerWaalsContact O-N 3.14Å; T629-T633 PolarHBondContact O-N 3.4Å; T629-T633 PolarHBondContact O-OG1 2.92Å
630	T	73.7	Confident	72.3	Confident	5 Å²	5	75.4 Å²	75.4	3%	0.031	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-47.5	-44.7	173.8	37.6	0	0	0	0	114	D471 M578 H580 L632 T633 V634	D471-T630 WeakPolarHBondContact CA-OG1 3.36Å; D471-T630 PolarHBondContact OD1-OG1 2.79Å; M578-T630 HydrophobicContact CB-CG2 4.09Å; M578-T630 HydrophobicContact CE-CG2 3.99Å; M578-T630 HydrophobicContact SD-CG2 4.1Å; H580-T630 WeakPolarHBondContact CE1-CG2 3.41Å; H580-T630 WeakPolarHBondContact NE2-CG2 3.48Å; T630-L632 VanDerWaalsContact C-N 3.25Å; T630-L632 PolarHBondContact O-N 3.08Å; T630-T633 VanDerWaalsContact CA-OG1 3.3Å; T630-T633 WeakPolarHBondContact CA-OG1 3.29Å; T630-T633 PolarHBondContact O-N 2.85Å; T630-T633 PolarHBondContact O-OG1 3.02Å; T630-V634 WeakPolarHBondContact O-CG2 3.41Å; T630-V634 PolarHBondContact O-N 3.42Å
631	S	71.1	Confident	69.4	Low	62 Å²	62	83.8 Å²	83.8	43%	0.434	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-62.4	-29	-177.4	-15.4	0	0	0	0	113.2	D471 T629	D471-S631 PolarHBondContact OD1-OG 2.96Å; D471-S631 PolarHBondContact OD2-OG 2.77Å; T629-S631 VanDerWaalsContact C-N 3.29Å; T629-S631 WeakPolarHBondContact CG2-OG 3.29Å; T629-S631 PolarHBondContact O-N 3.25Å
632	L	62.9	Low	66.3	Low	111 Å²	111	89.7 Å²	89.7	58%	0.581	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-83.1	-20.9	176.1	-72.7	164.5	0	0	0	112.8	E626 T629 T630	E626-L632 WeakPolarHBondContact O-CD1 3.42Å; T629-L632 PolarHBondContact O-N 3.03Å; T629-L632 VanDerWaalsContact O-N 3.14Å; T630-L632 VanDerWaalsContact C-N 3.25Å; T630-L632 PolarHBondContact O-N 3.08Å
633	T	61.2	Low	63.1	Low	27 Å²	27	92.8 Å²	92.8	17%	0.166	50%	0.504	C	S	.	.	S	Bend	trans	-96	2.5	-177	48.3	0	0	0	0	114.5	M578 T629 T630 F635	M578-T633 PolarHBondContact SD-OG1 3.33Å; T629-T633 PolarHBondContact O-N 3.4Å; T629-T633 PolarHBondContact O-OG1 2.92Å; T630-T633 VanDerWaalsContact CA-OG1 3.3Å; T630-T633 WeakPolarHBondContact CA-OG1 3.29Å; T630-T633 PolarHBondContact O-N 2.85Å; T630-T633 PolarHBondContact O-OG1 3.02Å; T633-F635 PolarHBondContact O-N 2.73Å
634	V	61.7	Low	60.2	Low	99 Å²	99	101 Å²	101	60%	0.6	54%	0.538	S	S	*	.	S	Bend	trans	-57	-36.5	177	-179.8	0	0	0	0	111	T630	T630-V634 WeakPolarHBondContact O-CG2 3.41Å; T630-V634 PolarHBondContact O-N 3.42Å
635	F	59.8	Low	58.7	Low	168 Å²	168	105.8 Å²	105.8	74%	0.737	56%	0.563	S	S	*	*	S	Bend	trans	-92.7	106.6	170.7	-60.8	-77.3	0	0	0	109.8	T633	T633-F635 PolarHBondContact O-N 2.73Å
636	S	55.4	Low	57.1	Low	38 Å²	38	105.6 Å²	105.6	27%	0.266	57%	0.568	S	S	.	*			trans	-64.2	140.8	174	144.6	0	0	0	0	110.2	S638 V639	S636-S638 PolarHBondContact O-N 2.97Å; S636-S638 VanDerWaalsContact O-N 3.09Å; S636-S638 PolarHBondContact OG-N 3.1Å; S636-S638 PolarHBondContact OG-OG 3.22Å; S636-V639 WeakPolarHBondContact O-CB 3.44Å; S636-V639 PolarHBondContact O-N 2.67Å
637	H	54.7	Low	55.2	Low	163 Å²	163	104.8 Å²	104.8	76%	0.755	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-60.6	-20.3	178.2	-75.4	41.8	0	0	0	113.2	V639	H637-V639 VanDerWaalsContact C-N 3.27Å
638	S	50.7	Low	53.3	Low	111 Å²	111	104.6 Å²	104.6	78%	0.776	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-78.5	-6	172.3	16.3	0	0	0	0	114.1	S636	S636-S638 PolarHBondContact O-N 2.97Å; S636-S638 VanDerWaalsContact O-N 3.09Å; S636-S638 PolarHBondContact OG-N 3.1Å; S636-S638 PolarHBondContact OG-OG 3.22Å
639	V	39.1	Very low	51.6	Low	106 Å²	106	110.1 Å²	110.1	64%	0.642	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-97.6	8.5	178.8	-163.7	0	0	0	0	111.6	S636 H637	S636-V639 WeakPolarHBondContact O-CB 3.44Å; S636-V639 PolarHBondContact O-N 2.67Å; H637-V639 VanDerWaalsContact C-N 3.27Å
640	S	28.8	Very low	49.6	Very low	84 Å²	84	116.4 Å²	116.4	59%	0.587	63%	0.627	S	S	*	*	S	Bend	trans	-88.1	121.6	174.3	-54.8	0	0	0	0	110.7
641	F	33.4	Very low	47.8	Very low	206 Å²	206	124.4 Å²	124.4	90%	0.904	67%	0.669	S	S	*	*	S	Bend	trans	90.6	42.9	168.9	-71.7	-84.6	0	0	0	120.6
642	L	29.2	Very low	46.1	Very low	168 Å²	168	129.2 Å²	129.2	88%	0.88	69%	0.688	S	S	*	*	S	Bend	trans	-142.9	16.3	162.7	-101	168.5	0	0	0	115.8
643	S	27.4	Very low	44.6	Very low	115 Å²	115	130.7 Å²	130.7	80%	0.804	70%	0.696	S	S	*	*			trans	-152.2	72.3	176.4	-45.5	0	0	0	0	111.8
644	F	34.3	Very low	43.1	Very low	283 Å²	283	140.1 Å²	140.1	100%	1.241	75%	0.745	S	S	*	*			trans	-150.8	0	155.4	-112.1	-76.1	0	0	0	108.8

Retrieved 644 of 644 residues in 1422 ms (Link to these results)

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