A0A077ZG83_TRITR Loading...

cystathionine beta-synthase

AlphaFold DB , UniProt , Accession A0A077ZG83, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 377 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	47.3	Very low	239 Å²	239	120.9 Å²	120.9	100%	1.177	68%	0.684	S	S	*	*				0	107.9	0	-93.8	-178.8	-101.9	0	0	107.8	R3	M1-R3 PolarHBondContact O-N 3.18Å; M1-R3 VanDerWaalsContact O-N 3.15Å
2	V	31.1	Very low	49.5	Very low	148 Å²	148	116.8 Å²	116.8	90%	0.897	67%	0.666	S	S	*	*			trans	-66.1	107.2	176.1	179.9	0	0	0	0	107	G4	V2-G4 PolarHBondContact O-N 2.85Å
3	R	35.4	Very low	51.3	Low	243 Å²	243	111.7 Å²	111.7	92%	0.917	64%	0.635	S	S	*	*			trans	-69.7	119.4	168	-75.1	-173	-174.3	-163.2	1.3	106.4	M1	M1-R3 PolarHBondContact O-N 3.18Å; M1-R3 VanDerWaalsContact O-N 3.15Å
4	G	32.5	Very low	52.5	Low	60 Å²	60	106.3 Å²	106.3	62%	0.619	61%	0.607	S	S	*	*			trans	-54.3	150.8	175	0	0	0	0	0	110.8	V2 S6	V2-G4 PolarHBondContact O-N 2.85Å; G4-S6 PolarHBondContact O-N 3.28Å
5	T	33.4	Very low	53.2	Low	145 Å²	145	100.1 Å²	100.1	89%	0.89	57%	0.571	S	S	*	*			trans	-59.1	83.3	169.9	50.1	0	0	0	0	109	D7	T5-D7 PolarHBondContact O-N 2.8Å
6	S	42.4	Very low	53.7	Low	100 Å²	100	97.6 Å²	97.6	70%	0.699	56%	0.555	S	S	*	*			trans	-63.7	125.8	156.3	54.1	0	0	0	0	105.8	G4 V8	G4-S6 PolarHBondContact O-N 3.28Å; S6-V8 PolarHBondContact O-N 3.26Å; S6-V8 VanDerWaalsContact O-N 3.09Å
7	D	43.4	Very low	53.7	Low	145 Å²	145	95.8 Å²	95.8	78%	0.775	55%	0.55	S	S	*	*			trans	-40.8	121.5	178.4	-67.9	-49.4	0	0	0	110	T5 V9	T5-D7 PolarHBondContact O-N 2.8Å; D7-V9 HydrophobicContact CB-CG2 3.8Å; D7-V9 WeakPolarHBondContact O-CG2 3.26Å; D7-V9 PolarHBondContact O-N 3.12Å
8	V	57.5	Low	53.8	Low	81 Å²	81	96.5 Å²	96.5	49%	0.491	56%	0.562	S	S	.	*			trans	-74.6	86.4	-179.7	172.5	0	0	0	0	106.3	S6 E105 G106 Y107	S6-V8 PolarHBondContact O-N 3.26Å; S6-V8 VanDerWaalsContact O-N 3.09Å; V8-E105 WeakPolarHBondContact CG1-O 3.12Å; V8-E105 WeakPolarHBondContact CG2-O 3.07Å; V8-G106 VanDerWaalsContact CG1-C 3.43Å; V8-Y107 VanDerWaalsContact CG1-CA 3.48Å
9	V	65.3	Low	54.6	Low	99 Å²	99	94.3 Å²	94.3	60%	0.6	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-98.5	121	-174.4	-171.3	0	0	0	0	109	D7	D7-V9 HydrophobicContact CB-CG2 3.8Å; D7-V9 WeakPolarHBondContact O-CG2 3.26Å; D7-V9 PolarHBondContact O-N 3.12Å
10	P	73.6	Confident	55.7	Low	54 Å²	54	93.9 Å²	93.9	35%	0.351	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-62.1	165.2	172.2	27.9	-34.4	0	0	0	110.7	Y107 V190	P10-Y107 HydrophobicContact CB-CD2 4.25Å; P10-Y107 HydrophobicContact CB-CG 4.31Å; P10-V190 HydrophobicContact CB-CG1 4.25Å
11	P	72.5	Confident	57.1	Low	16 Å²	16	92.5 Å²	92.5	10%	0.104	54%	0.544	C	S	.	.	S	Bend	trans	-50	142.1	174.9	-27.1	35.1	0	0	0	111.7	L13 L192 N193 N197	P11-L13 PolarHBondContact O-N 3.43Å; P11-L192 WeakPolarHBondContact CG-O 3.4Å; P11-N193 HydrophobicContact CB-CB 4.3Å; P11-N197 WeakPolarHBondContact CG-ND2 3.5Å
12	P	73.6	Confident	59.8	Low	72 Å²	72	88 Å²	88	47%	0.468	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-52.4	136.7	178.7	-26.4	33.2	0	0	0	111.5	S14 N193	P12-S14 PolarHBondContact O-N 2.89Å; P12-N193 PolarHBondContact O-ND2 2.74Å
13	L	73.1	Confident	62.7	Low	50 Å²	50	83.2 Å²	83.2	26%	0.262	49%	0.492	S	S	.	.	S	Bend	trans	-75.3	-4.3	176.3	-64	179.8	0	0	0	113	P11 L15 K180 A183 Q184 M191	P11-L13 PolarHBondContact O-N 3.43Å; L13-L15 PolarHBondContact O-N 3.27Å; L13-K180 HydrophobicContact CB-CD 4.42Å; L13-K180 HydrophobicContact CB-CG 4.19Å; L13-A183 HydrophobicContact CD2-CB 4.14Å; L13-Q184 HydrophobicContact CD1-CG 3.79Å; L13-M191 HydrophobicContact CB-CE 4.31Å; L13-M191 HydrophobicContact CD2-CB 3.97Å; L13-M191 HydrophobicContact CD2-CE 3.57Å
14	S	68.3	Low	65.5	Low	36 Å²	36	76.4 Å²	76.4	25%	0.252	48%	0.478	S	S	.	.			trans	-64.6	133.5	169.4	54.6	0	0	0	0	108.7	P12 N193 R196	P12-S14 PolarHBondContact O-N 2.89Å; S14-N193 PolarHBondContact O-ND2 3.18Å; S14-N193 VanDerWaalsContact O-ND2 3.1Å; S14-R196 WeakPolarHBondContact O-CD 3.47Å
15	L	63.2	Low	68.6	Low	13 Å²	13	76.3 Å²	76.3	7%	0.068	46%	0.459	C	S	.	.			trans	-118.6	-16.3	-177.6	-71.6	164.1	0	0	0	112.4	L13 P117 L176 M191 N193 Y195	L13-L15 PolarHBondContact O-N 3.27Å; L15-P117 HydrophobicContact CD1-CG 4.31Å; L15-P117 HydrophobicContact CD2-CG 4.44Å; L15-L176 HydrophobicContact CB-CB 4.31Å; L15-L176 HydrophobicContact CB-CD1 4.29Å; L15-L176 HydrophobicContact CB-CD2 4.21Å; L15-L176 HydrophobicContact CD1-CB 3.58Å; L15-L176 HydrophobicContact CD1-CD2 3.87Å; L15-L176 HydrophobicContact CD1-CG 4.27Å; L15-L176 VanDerWaalsContact CD1-O 3.32Å; L15-L176 WeakPolarHBondContact CD1-O 3.34Å; L15-L176 HydrophobicContact CD2-CD2 4.13Å; L15-L176 HydrophobicContact CG-CD2 4.3Å; L15-M191 HydrophobicContact CD1-CE 3.89Å; L15-M191 HydrophobicContact CD1-SD 4.18Å; L15-M191 HydrophobicContact CD2-CE 3.91Å; L15-M191 HydrophobicContact CG-CE 3.99Å; L15-N193 HydrophobicContact CD2-CB 4.42Å; L15-N193 WeakPolarHBondContact CD2-ND2 2.85Å; L15-N193 WeakPolarHBondContact CD2-OD1 3.37Å; L15-Y195 HydrophobicContact CD2-CD2 3.69Å; L15-Y195 HydrophobicContact CD2-CE2 4.39Å
16	L	60.5	Low	71.4	Confident	60 Å²	60	72.3 Å²	72.3	31%	0.314	43%	0.434	S	S	.	.	S	Bend	trans	-95.2	155.6	-174.2	-59.4	170.8	0	0	0	111.6	S18	L16-S18 PolarHBondContact O-N 3.17Å
17	S	54.3	Low	73.8	Confident	68 Å²	68	72.4 Å²	72.4	48%	0.476	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-10.3	-175.3	58.5	0	0	0	0	115.9	D19 S280	S17-D19 PolarHBondContact O-N 2.84Å; S17-S280 WeakPolarHBondContact CB-O 3.45Å
18	S	54.5	Low	76.1	Confident	108 Å²	108	73.9 Å²	73.9	76%	0.755	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-11	-174.6	61.5	0	0	0	0	114.4	L16	L16-S18 PolarHBondContact O-N 3.17Å
19	D	68.9	Low	77.7	Confident	54 Å²	54	73.9 Å²	73.9	29%	0.289	42%	0.416	S	S	.	.	S	Bend	trans	-121.9	93.5	178.2	-168.7	15.7	0	0	0	109.7	S17 H22 R196	S17-D19 PolarHBondContact O-N 2.84Å; D19-H22 IonicContact OD1-CE1 3.79Å; D19-H22 IonicContact OD1-NE2 3.51Å; D19-R196 PolarHBondContact O-NH1 3.34Å; D19-R196 PolarHBondContact O-NH2 3.04Å; D19-R196 IonicContact OD2-CZ 3.53Å; D19-R196 IonicContact OD2-NH2 3.71Å; D19-R196 PolarHBondContact OD2-NH2 2.98Å
20	P	76.9	Confident	78.9	Confident	86 Å²	86	72.1 Å²	72.1	56%	0.558	41%	0.407	S	S	*	.			trans	-62.1	162.1	-174.2	27.1	-34.6	0	0	0	111.6	H22	P20-H22 PolarHBondContact O-N 3.1Å
21	S	86	Confident	79.6	Confident	66 Å²	66	74.9 Å²	74.9	46%	0.462	41%	0.411	S	S	.	.			trans	-60.3	130.7	174.8	-166.7	0	0	0	0	111.1	C23 A282	S21-C23 VanDerWaalsContact C-N 3.27Å; S21-C23 WeakPolarHBondContact OG-CB 3.36Å; S21-C23 PolarHBondContact OG-N 2.96Å; S21-A282 WeakPolarHBondContact CB-O 3.37Å
22	H	89	Confident	80.5	Confident	144 Å²	144	80.3 Å²	80.3	67%	0.667	44%	0.444	S	S	*	.			trans	-89.1	9.3	170.5	-57.7	-50.9	0	0	0	112.9	D19 P20 T24	D19-H22 IonicContact OD1-CE1 3.79Å; D19-H22 IonicContact OD1-NE2 3.51Å; P20-H22 PolarHBondContact O-N 3.1Å; H22-T24 PolarHBondContact O-N 3.49Å
23	C	92.8	Very high	81.5	Confident	48 Å²	48	82.6 Å²	82.6	32%	0.324	45%	0.448	S	S	.	.			trans	-64.9	127.4	178.7	-174	0	0	0	0	110.5	S21 R238	S21-C23 VanDerWaalsContact C-N 3.27Å; S21-C23 WeakPolarHBondContact OG-CB 3.36Å; S21-C23 PolarHBondContact OG-N 2.96Å; C23-R238 PolarHBondContact SG-NH1 2.86Å
24	T	94.8	Very high	82.5	Confident	99 Å²	99	82 Å²	82	61%	0.607	45%	0.448	S	S	*	.			trans	-99.4	20.1	-179.3	65.1	0	0	0	0	113.5	H22 K29	H22-T24 PolarHBondContact O-N 3.49Å; T24-K29 PolarHBondContact O-NZ 3.02Å; T24-K29 PolarHBondContact OG1-NZ 2.61Å
25	W	96	Very high	83.8	Confident	59 Å²	59	85.8 Å²	85.8	22%	0.223	47%	0.472	C	S	.	.			trans	-59.5	140.1	177	174.2	92.2	0	0	0	110.6	E27 R238 K241 E242 L288	W25-E27 HydrophobicContact CH2-CB 4.14Å; W25-E27 HydrophobicContact CZ2-CB 4.29Å; W25-R238 HydrophobicContact CD2-CB 4.33Å; W25-R238 VanDerWaalsContact CD2-CD 3.47Å; W25-R238 HydrophobicContact CD2-CG 3.77Å; W25-R238 HydrophobicContact CE3-CG 3.81Å; W25-R238 HydrophobicContact CH2-CB 4Å; W25-R238 HydrophobicContact CH2-CG 3.66Å; W25-R238 HydrophobicContact CZ2-CB 3.5Å; W25-R238 VanDerWaalsContact CZ2-CB 3.5Å; W25-R238 HydrophobicContact CZ2-CG 3.59Å; W25-R238 HydrophobicContact CZ3-CG 3.76Å; W25-K241 HydrophobicContact CH2-CB 4.42Å; W25-E242 HydrophobicContact CZ2-CG 4.25Å; W25-E242 PolarHBondContact NE1-OE1 3.19Å; W25-L288 HydrophobicContact CH2-CD2 3.84Å; W25-L288 HydrophobicContact CZ3-CD2 3.91Å
26	T	93.6	Very high	85.2	Confident	61 Å²	61	88.2 Å²	88.2	37%	0.374	48%	0.483	S	S	.	.			trans	-143.4	155	164.8	71.7	0	0	0	0	107.8	K28 K29	T26-K28 PolarHBondContact O-N 2.76Å; T26-K29 PolarHBondContact O-N 2.67Å; T26-K29 VanDerWaalsContact O-N 3.12Å
27	E	91.6	Very high	86.6	Confident	101 Å²	101	89.1 Å²	89.1	47%	0.472	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-18.7	177.7	66.3	-177.6	-171.4	0	0	114	W25 K241	W25-E27 HydrophobicContact CH2-CB 4.14Å; W25-E27 HydrophobicContact CZ2-CB 4.29Å; E27-K241 HydrophobicContact CB-CB 4.32Å
28	K	91.3	Very high	88.5	Confident	177 Å²	177	88.3 Å²	88.3	77%	0.77	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-18.5	-177.6	-61.1	-176.9	-178.3	175.9	0	113.5	T26	T26-K28 PolarHBondContact O-N 2.76Å
29	K	92.9	Very high	90.2	Very high	80 Å²	80	86.8 Å²	86.8	35%	0.348	46%	0.455	S	S	.	.	S	Bend	trans	-78.9	132.7	-178.4	-78.8	-177.2	176.4	179	0	110.6	T24 T26	T24-K29 PolarHBondContact O-NZ 3.02Å; T24-K29 PolarHBondContact OG1-NZ 2.61Å; T26-K29 PolarHBondContact O-N 2.67Å; T26-K29 VanDerWaalsContact O-N 3.12Å
30	P	90.5	Very high	91.2	Very high	63 Å²	63	93.2 Å²	93.2	41%	0.409	48%	0.48	S	S	.	.			trans	-67.4	147.3	176.7	29.5	-34.8	0	0	0	110.9	T32 E33	P30-T32 PolarHBondContact O-N 3.21Å; P30-E33 VanDerWaalsContact CD-OE1 3.3Å; P30-E33 WeakPolarHBondContact CD-OE1 3.49Å; P30-E33 HydrophobicContact CG-CG 4Å; P30-E33 WeakPolarHBondContact CG-OE1 3.46Å; P30-E33 PolarHBondContact O-N 2.68Å
31	R	88	Confident	91.7	Very high	112 Å²	112	90.4 Å²	90.4	42%	0.423	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-54.1	-27.2	177.9	-171.7	-179.8	-173	-176.7	10.7	113.3	E33 S34 D206	R31-E33 PolarHBondContact O-N 2.69Å; R31-S34 VanDerWaalsContact O-CB 3.24Å; R31-S34 WeakPolarHBondContact O-CB 3.23Å; R31-S34 PolarHBondContact O-N 2.96Å; R31-D206 IonicContact NH2-OD1 2.82Å; R31-D206 PolarHBondContact NH2-OD1 3.18Å
32	T	90.9	Very high	91.2	Very high	130 Å²	130	91.2 Å²	91.2	80%	0.798	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-64	-19.9	177.4	48.9	0	0	0	0	114	P30	P30-T32 PolarHBondContact O-N 3.21Å
33	E	93.8	Very high	90.7	Very high	119 Å²	119	88.5 Å²	88.5	56%	0.556	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-87.9	-6.3	174.2	-71.8	177.7	-143.2	0	0	113.1	P30 R31 P35	P30-E33 VanDerWaalsContact CD-OE1 3.3Å; P30-E33 WeakPolarHBondContact CD-OE1 3.49Å; P30-E33 HydrophobicContact CG-CG 4Å; P30-E33 WeakPolarHBondContact CG-OE1 3.46Å; P30-E33 PolarHBondContact O-N 2.68Å; R31-E33 PolarHBondContact O-N 2.69Å; E33-P35 WeakPolarHBondContact O-CD 3.3Å
34	S	95.2	Very high	90.2	Very high	38 Å²	38	90.5 Å²	90.5	27%	0.266	47%	0.47	S	S	.	.			trans	-66.7	125.4	177.5	-176.9	0	0	0	0	110.3	R31 H36 H38	R31-S34 VanDerWaalsContact O-CB 3.24Å; R31-S34 WeakPolarHBondContact O-CB 3.23Å; R31-S34 PolarHBondContact O-N 2.96Å; S34-H36 PolarHBondContact O-N 3.3Å; S34-H36 PolarHBondContact OG-N 2.71Å; S34-H38 WeakPolarHBondContact CB-NE2 3.25Å; S34-H38 PolarHBondContact OG-NE2 3.29Å
35	P	94.4	Very high	89.8	Confident	116 Å²	116	88.3 Å²	88.3	75%	0.753	45%	0.452	S	S	*	.			trans	-77.8	-6.4	174.5	33.8	-36	0	0	0	112.3	E33	E33-P35 WeakPolarHBondContact O-CD 3.3Å
36	H	94.3	Very high	89.5	Confident	63 Å²	63	89.3 Å²	89.3	29%	0.292	47%	0.466	S	S	.	.	S	Bend	trans	-83.5	146.8	-173.4	-59.9	-62.2	0	0	0	112.2	S34 H38 L202	S34-H36 PolarHBondContact O-N 3.3Å; S34-H36 PolarHBondContact OG-N 2.71Å; H36-H38 PolarHBondContact O-CD2 2.65Å; H36-H38 PolarHBondContact O-N 2.7Å; H36-L202 HydrophobicContact CB-CD1 3.71Å; H36-L202 HydrophobicContact CB-CD2 4.13Å
37	Q	89.8	Confident	89.5	Confident	79 Å²	79	96.9 Å²	96.9	37%	0.369	49%	0.494	S	S	.	.			trans	-66.6	126	166.4	-59.8	-178.7	20.3	0	0	107.8	R97 N104	Q37-R97 PolarHBondContact O-NH2 3.31Å; Q37-N104 PolarHBondContact OE1-ND2 3.18Å; Q37-N104 VanDerWaalsContact OE1-ND2 3.13Å
38	H	94.2	Very high	89.7	Confident	51 Å²	51	99.3 Å²	99.3	24%	0.236	51%	0.509	C	S	.	.			trans	-113.5	136.6	179.8	-83	-71	0	0	0	110.6	S34 H36 Y205 D206	S34-H38 WeakPolarHBondContact CB-NE2 3.25Å; S34-H38 PolarHBondContact OG-NE2 3.29Å; H36-H38 PolarHBondContact O-CD2 2.65Å; H36-H38 PolarHBondContact O-N 2.7Å; H38-Y205 AromaticContact CE1-CD1 3.81Å; H38-Y205 AromaticContact CE1-CE1 3.6Å; H38-Y205 AromaticContact ND1-CD1 3.98Å; H38-Y205 AromaticContact ND1-CE1 3.9Å; H38-D206 VanDerWaalsContact CA-OD2 3.28Å; H38-D206 WeakPolarHBondContact CA-OD2 3.29Å; H38-D206 IonicContact CE1-OD1 2.97Å; H38-D206 IonicContact CG-OD1 3.48Å; H38-D206 IonicContact CG-OD2 3.62Å; H38-D206 IonicContact ND1-OD1 2.71Å; H38-D206 PolarHBondContact ND1-OD1 2.89Å; H38-D206 IonicContact ND1-OD2 2.74Å; H38-D206 PolarHBondContact ND1-OD2 2.79Å
39	H	89.8	Confident	89.9	Confident	77 Å²	77	93.6 Å²	93.6	36%	0.356	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-96.7	143.2	172.3	-74	-171.4	0	0	0	110.4	R97 E100 D206	H39-R97 PolarHBondContact CD2-NH1 2.77Å; H39-R97 VanDerWaalsContact CD2-NH1 3.25Å; H39-R97 PolarHBondContact CE1-NH1 2.8Å; H39-R97 PolarHBondContact ND1-NH1 3.1Å; H39-R97 PolarHBondContact NE2-NH1 2.85Å; H39-E100 IonicContact CE1-OE2 3.76Å; H39-E100 PolarHBondContact CE1-OE2 3.5Å; H39-E100 IonicContact ND1-OE2 3.22Å; H39-D206 PolarHBondContact N-OD2 3.29Å; H39-D206 WeakPolarHBondContact O-CB 3.48Å
40	K	88.8	Confident	90	Very high	189 Å²	189	99.8 Å²	99.8	82%	0.822	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-92.5	120.4	167.8	-175.9	176.1	176.3	-179.6	0	107.1	P42	K40-P42 WeakPolarHBondContact O-CD 3.31Å
41	W	88.1	Confident	90.3	Very high	27 Å²	27	99.8 Å²	99.8	10%	0.102	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-57.8	118.5	170.6	172.7	54.8	0	0	0	110	V43 D58 Q207 E210 E211 Y214	W41-V43 HydrophobicContact CE3-CG2 4.36Å; W41-V43 HydrophobicContact CH2-CG1 4.39Å; W41-V43 HydrophobicContact CZ3-CG2 4.19Å; W41-V43 PolarHBondContact O-N 3.29Å; W41-D58 WeakPolarHBondContact CZ2-OD1 3.38Å; W41-D58 PolarHBondContact NE1-OD1 3.04Å; W41-Q207 HydrophobicContact CB-CG 4.38Å; W41-Q207 HydrophobicContact CG-CG 4.25Å; W41-E210 HydrophobicContact CB-CB 4.38Å; W41-E210 HydrophobicContact CE3-CB 4.15Å; W41-E211 HydrophobicContact CD2-CG 4.04Å; W41-E211 HydrophobicContact CG-CG 4.43Å; W41-E211 HydrophobicContact CH2-CG 4.48Å; W41-E211 HydrophobicContact CZ2-CG 3.85Å; W41-Y214 AromaticContact CH2-CD1 3.64Å; W41-Y214 HydrophobicContact CH2-CD1 3.64Å; W41-Y214 HydrophobicContact CH2-CD2 4.49Å; W41-Y214 HydrophobicContact CH2-CE1 4.24Å; W41-Y214 AromaticContact CH2-CG 3.78Å; W41-Y214 HydrophobicContact CH2-CG 3.78Å; W41-Y214 HydrophobicContact CZ3-CD1 4.18Å; W41-Y214 HydrophobicContact CZ3-CD2 4.35Å; W41-Y214 AromaticContact CZ3-CG 3.82Å; W41-Y214 HydrophobicContact CZ3-CG 3.82Å
42	P	76.5	Confident	90.7	Very high	82 Å²	82	96.2 Å²	96.2	53%	0.532	50%	0.498	S	S	.	.			trans	-75.3	113.5	174.7	30.8	-30.5	0	0	0	106.9	K40 S44	K40-P42 WeakPolarHBondContact O-CD 3.31Å; P42-S44 PolarHBondContact O-N 3.37Å
43	V	78.2	Confident	90.9	Very high	88 Å²	88	90.8 Å²	90.8	53%	0.533	46%	0.464	S	S	.	.	S	Bend	trans	-52.4	-13.7	-176.2	-178.7	0	0	0	0	113.5	W41 Y214	W41-V43 HydrophobicContact CE3-CG2 4.36Å; W41-V43 HydrophobicContact CH2-CG1 4.39Å; W41-V43 HydrophobicContact CZ3-CG2 4.19Å; W41-V43 PolarHBondContact O-N 3.29Å; V43-Y214 HydrophobicContact CG1-CE2 4.3Å
44	S	82.5	Confident	90.9	Very high	90 Å²	90	86.9 Å²	86.9	63%	0.629	45%	0.447	S	S	*	.	S	Bend	trans	-140.9	149.2	171.2	60.4	0	0	0	0	113.1	P42	P42-S44 PolarHBondContact O-N 3.37Å
45	K	86.3	Confident	90.9	Very high	52 Å²	52	90.5 Å²	90.5	23%	0.226	46%	0.456	C	S	.	.			trans	-78.2	153.2	169.6	-67.5	-177.4	171.6	161.7	0	111.6	L49 Y55 G57 D58	K45-L49 HydrophobicContact CB-CD2 4.2Å; K45-Y55 HydrophobicContact CD-CD2 3.97Å; K45-Y55 HydrophobicContact CD-CE2 4.29Å; K45-Y55 PolarHBondContact NZ-O 3.4Å; K45-G57 PolarHBondContact NZ-O 3.28Å; K45-D58 HydrophobicContact CD-CB 4.46Å; K45-D58 WeakPolarHBondContact CE-OD2 3.35Å; K45-D58 WeakPolarHBondContact CG-OD2 3.5Å
46	P	89.2	Confident	91	Very high	80 Å²	80	85.7 Å²	85.7	52%	0.519	42%	0.424	S	S	.	.			trans	-56.1	152.5	168	-22.7	33.1	0	0	0	112.2	I48 L49	P46-I48 VanDerWaalsContact C-N 3.3Å; P46-I48 WeakPolarHBondContact CB-O 3.47Å; P46-I48 PolarHBondContact O-N 3.35Å; P46-L49 HydrophobicContact CB-CD2 4.35Å; P46-L49 HydrophobicContact CG-CD2 4.42Å
47	K	93.8	Very high	91.1	Very high	220 Å²	220	82.8 Å²	82.8	96%	0.957	41%	0.411	S	S	*	.	S	Bend	trans	-63.2	-36.1	176.3	-69	-173.5	178.5	-178.6	0	112.9
48	I	95.8	Very high	91.3	Very high	153 Å²	153	81.3 Å²	81.3	79%	0.785	41%	0.405	S	S	*	.	S	Bend	trans	-125.5	123.5	174.3	-60.3	176	0	0	0	106.1	P46	P46-I48 VanDerWaalsContact C-N 3.3Å; P46-I48 WeakPolarHBondContact CB-O 3.47Å; P46-I48 PolarHBondContact O-N 3.35Å
49	L	95.2	Very high	91.5	Very high	57 Å²	57	79 Å²	79	30%	0.298	40%	0.395	S	S	.	.			trans	-83.2	148.8	-179.9	-53.1	179.3	0	0	0	109.7	K45 P46 D54 Y55	K45-L49 HydrophobicContact CB-CD2 4.2Å; P46-L49 HydrophobicContact CB-CD2 4.35Å; P46-L49 HydrophobicContact CG-CD2 4.42Å; L49-D54 HydrophobicContact CB-CB 3.92Å; L49-D54 HydrophobicContact CD2-CB 4.13Å; L49-D54 HydrophobicContact CG-CB 4.42Å; L49-Y55 HydrophobicContact CD1-CD2 3.6Å; L49-Y55 HydrophobicContact CD1-CG 4.05Å
50	R	95.6	Very high	91.9	Very high	209 Å²	209	77.5 Å²	77.5	79%	0.789	39%	0.392	S	S	*	.	S	Bend	trans	-73.7	-44.3	-179.5	-60.5	171.7	-66.4	169.1	3.2	111.2	D54	R50-D54 VanDerWaalsContact CB-OD2 3.22Å; R50-D54 WeakPolarHBondContact CB-OD2 3.24Å; R50-D54 WeakPolarHBondContact CG-OD2 3.44Å; R50-D54 IonicContact CZ-OD1 3.14Å; R50-D54 IonicContact CZ-OD2 2.98Å; R50-D54 PolarHBondContact N-OD2 3.28Å; R50-D54 IonicContact NE-OD1 3.6Å; R50-D54 PolarHBondContact NE-OD1 2.92Å; R50-D54 IonicContact NE-OD2 2.94Å; R50-D54 PolarHBondContact NE-OD2 3.33Å; R50-D54 IonicContact NH2-OD1 2.79Å; R50-D54 PolarHBondContact NH2-OD1 3.28Å; R50-D54 IonicContact NH2-OD2 2.75Å
51	D	95.9	Very high	92.4	Very high	64 Å²	64	70.6 Å²	70.6	34%	0.342	36%	0.363	S	S	.	.	S	Bend	trans	-151.8	-173.4	176.1	63.7	49.8	0	0	0	110.6	L53 D54 L132	D51-L53 VanDerWaalsContact C-N 3.28Å; D51-L53 PolarHBondContact O-N 3.1Å; D51-L53 WeakPolarHBondContact OD1-CA 3.46Å; D51-L53 VanDerWaalsContact OD1-CB 3.25Å; D51-L53 WeakPolarHBondContact OD1-CB 3.28Å; D51-L53 PolarHBondContact OD1-N 3.49Å; D51-D54 PolarHBondContact O-N 3.02Å; D51-L132 HydrophobicContact CB-CD1 4.5Å
52	A	95.9	Very high	92.9	Very high	36 Å²	36	72.1 Å²	72.1	30%	0.298	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-68.3	-23.9	-174.9	0	0	0	0	0	113.8	D54 Y55 C86 L132	A52-D54 VanDerWaalsContact C-N 3.32Å; A52-D54 PolarHBondContact O-N 3.21Å; A52-Y55 PolarHBondContact O-N 3.18Å; A52-C86 WeakPolarHBondContact CB-SG 3.49Å; A52-C86 WeakPolarHBondContact O-CB 3.45Å; A52-L132 HydrophobicContact CB-CD1 3.88Å
53	L	95.8	Very high	93.9	Very high	17 Å²	17	75.4 Å²	75.4	9%	0.089	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-70.7	-29.8	179.4	-54.7	-179.7	0	0	0	111.8	D51 Y55 I56 V96 L128 A129 L132 K133	D51-L53 VanDerWaalsContact C-N 3.28Å; D51-L53 PolarHBondContact O-N 3.1Å; D51-L53 WeakPolarHBondContact OD1-CA 3.46Å; D51-L53 VanDerWaalsContact OD1-CB 3.25Å; D51-L53 WeakPolarHBondContact OD1-CB 3.28Å; D51-L53 PolarHBondContact OD1-N 3.49Å; L53-Y55 PolarHBondContact O-N 3.33Å; L53-Y55 VanDerWaalsContact O-N 3.15Å; L53-I56 HydrophobicContact CB-CD1 4.34Å; L53-I56 HydrophobicContact CD2-CD1 3.94Å; L53-I56 WeakPolarHBondContact O-CB 3.42Å; L53-I56 WeakPolarHBondContact O-CG1 3.44Å; L53-I56 PolarHBondContact O-N 2.85Å; L53-I56 VanDerWaalsContact O-N 3.12Å; L53-V96 HydrophobicContact CB-CG2 4.38Å; L53-V96 HydrophobicContact CD2-CG2 4Å; L53-L128 HydrophobicContact CD2-CD2 4.38Å; L53-L128 HydrophobicContact CD2-CG 4.12Å; L53-A129 HydrophobicContact CD1-CB 4.26Å; L53-A129 HydrophobicContact CD2-CB 4.11Å; L53-L132 HydrophobicContact CD1-CB 4.29Å; L53-L132 HydrophobicContact CD1-CD1 4.35Å; L53-L132 HydrophobicContact CD2-CD1 3.94Å; L53-L132 HydrophobicContact CG-CD1 3.69Å; L53-K133 HydrophobicContact CD1-CD 4.19Å; L53-K133 HydrophobicContact CD1-CG 4.25Å
54	D	94.4	Very high	94.9	Very high	37 Å²	37	71.2 Å²	71.2	20%	0.198	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-64.8	-13.3	173.8	-75.9	-11.3	0	0	0	112.4	L49 R50 D51 A52	L49-D54 HydrophobicContact CB-CB 3.92Å; L49-D54 HydrophobicContact CD2-CB 4.13Å; L49-D54 HydrophobicContact CG-CB 4.42Å; R50-D54 VanDerWaalsContact CB-OD2 3.22Å; R50-D54 WeakPolarHBondContact CB-OD2 3.24Å; R50-D54 WeakPolarHBondContact CG-OD2 3.44Å; R50-D54 IonicContact CZ-OD1 3.14Å; R50-D54 IonicContact CZ-OD2 2.98Å; R50-D54 PolarHBondContact N-OD2 3.28Å; R50-D54 IonicContact NE-OD1 3.6Å; R50-D54 PolarHBondContact NE-OD1 2.92Å; R50-D54 IonicContact NE-OD2 2.94Å; R50-D54 PolarHBondContact NE-OD2 3.33Å; R50-D54 IonicContact NH2-OD1 2.79Å; R50-D54 PolarHBondContact NH2-OD1 3.28Å; R50-D54 IonicContact NH2-OD2 2.75Å; D51-D54 PolarHBondContact O-N 3.02Å; A52-D54 VanDerWaalsContact C-N 3.32Å; A52-D54 PolarHBondContact O-N 3.21Å
55	Y	94.2	Very high	95.7	Very high	113 Å²	113	68.8 Å²	68.8	44%	0.443	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-93.6	18.4	173.7	-158.7	-112.5	0	0	0	113.9	K45 L49 A52 L53	K45-Y55 HydrophobicContact CD-CD2 3.97Å; K45-Y55 HydrophobicContact CD-CE2 4.29Å; K45-Y55 PolarHBondContact NZ-O 3.4Å; L49-Y55 HydrophobicContact CD1-CD2 3.6Å; L49-Y55 HydrophobicContact CD1-CG 4.05Å; A52-Y55 PolarHBondContact O-N 3.18Å; L53-Y55 PolarHBondContact O-N 3.33Å; L53-Y55 VanDerWaalsContact O-N 3.15Å
56	I	95.8	Very high	96.2	Very high	16 Å²	16	73.3 Å²	73.3	8%	0.082	35%	0.345	C	S	.	.	S	Bend	trans	-93.3	128.9	176.2	-66	167.4	0	0	0	110.6	L53 C86 D92 R93 V96 Q207	L53-I56 HydrophobicContact CB-CD1 4.34Å; L53-I56 HydrophobicContact CD2-CD1 3.94Å; L53-I56 WeakPolarHBondContact O-CB 3.42Å; L53-I56 WeakPolarHBondContact O-CG1 3.44Å; L53-I56 PolarHBondContact O-N 2.85Å; L53-I56 VanDerWaalsContact O-N 3.12Å; I56-C86 HydrophobicContact CG1-CB 4.41Å; I56-D92 HydrophobicContact CD1-CB 3.83Å; I56-D92 HydrophobicContact CG1-CB 3.88Å; I56-D92 HydrophobicContact CG2-CB 3.93Å; I56-R93 HydrophobicContact CG2-CB 4.32Å; I56-R93 HydrophobicContact CG2-CG 3.78Å; I56-V96 HydrophobicContact CD1-CG2 3.47Å; I56-V96 VanDerWaalsContact CD1-CG2 3.47Å; I56-Q207 PolarHBondContact O-NE2 2.78Å
57	G	96.5	Very high	96.7	Very high	2 Å²	2	69.5 Å²	69.5	2%	0.021	32%	0.32	C	S	.	.	S	Bend	trans	88.7	-169.6	-171.4	0	0	0	0	0	114.2	K45 T59 N85 R93	K45-G57 PolarHBondContact NZ-O 3.28Å; G57-T59 PolarHBondContact O-N 3.35Å; G57-N85 PolarHBondContact N-OD1 3.09Å; G57-R93 VanDerWaalsContact CA-CZ 3.43Å
58	D	96	Very high	96.9	Very high	48 Å²	48	62 Å²	62	26%	0.257	29%	0.285	S	S	.	.			trans	52.3	40.1	-168.3	-60.6	-45.5	0	0	0	113	W41 K45 E211	W41-D58 WeakPolarHBondContact CZ2-OD1 3.38Å; W41-D58 PolarHBondContact NE1-OD1 3.04Å; K45-D58 HydrophobicContact CD-CB 4.46Å; K45-D58 WeakPolarHBondContact CE-OD2 3.35Å; K45-D58 WeakPolarHBondContact CG-OD2 3.5Å; D58-E211 VanDerWaalsContact N-CD 3.3Å; D58-E211 PolarHBondContact N-OE1 3.37Å; D58-E211 PolarHBondContact N-OE2 3.49Å
59	T	97.7	Very high	97	Very high	3 Å²	3	61.8 Å²	61.8	2%	0.018	28%	0.279	C	S	.	.			trans	-71.7	145.5	-177.8	53.7	0	0	0	0	110.3	G57 K80 C81 E82 R93 E211 Q215	G57-T59 PolarHBondContact O-N 3.35Å; T59-K80 PolarHBondContact O-NZ 2.95Å; T59-K80 WeakPolarHBondContact OG1-CD 3.17Å; T59-K80 WeakPolarHBondContact OG1-CE 3.4Å; T59-K80 PolarHBondContact OG1-NZ 2.89Å; T59-C81 WeakPolarHBondContact CB-O 3.4Å; T59-E82 WeakPolarHBondContact CB-OE1 3.35Å; T59-E82 PolarHBondContact OG1-OE1 3.37Å; T59-R93 PolarHBondContact OG1-NH2 3.16Å; T59-E211 PolarHBondContact N-OE2 3.27Å; T59-Q215 PolarHBondContact O-NE2 3.46Å
60	P	98.1	Very high	97.1	Very high	45 Å²	45	64.5 Å²	64.5	29%	0.292	29%	0.29	S	S	.	.			trans	-68	149.4	-175.8	25.7	-30.1	0	0	0	111.7	I62 C81 F84	P60-I62 HydrophobicContact CB-CD1 4.35Å; P60-I62 HydrophobicContact CB-CG1 4.14Å; P60-I62 HydrophobicContact CG-CD1 4.35Å; P60-C81 HydrophobicContact CG-CB 4.07Å; P60-C81 PolarHBondContact O-N 2.75Å; P60-F84 HydrophobicContact CG-CB 4.39Å; P60-F84 HydrophobicContact CG-CD2 3.38Å; P60-F84 HydrophobicContact CG-CE2 3.66Å; P60-F84 HydrophobicContact CG-CG 3.89Å; P60-F84 HydrophobicContact CG-CZ 4.39Å
61	M	98.7	Very high	97.2	Very high	44 Å²	44	58.2 Å²	58.2	22%	0.217	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.7	168	-171.8	69.6	76.1	0	0	107.8	V78 A79 K80 I212 Q215 V340	M61-V78 HydrophobicContact CG-CB 4.07Å; M61-V78 HydrophobicContact CG-CG2 4.08Å; M61-V78 HydrophobicContact SD-CB 3.98Å; M61-V78 HydrophobicContact SD-CG2 3.64Å; M61-A79 CarbonylContact C-O 3.59Å; M61-A79 WeakPolarHBondContact CA-O 3.24Å; M61-A79 VanDerWaalsContact SD-C 3.52Å; M61-K80 HydrophobicContact CE-CB 4.05Å; M61-K80 HydrophobicContact CE-CD 3.92Å; M61-K80 HydrophobicContact CE-CG 4.47Å; M61-K80 HydrophobicContact SD-CB 4.11Å; M61-I212 HydrophobicContact CE-CB 4.39Å; M61-I212 HydrophobicContact CE-CG1 3.96Å; M61-I212 HydrophobicContact CE-CG2 4.17Å; M61-Q215 HydrophobicContact CB-CB 4.26Å; M61-Q215 HydrophobicContact CB-CG 4.42Å; M61-Q215 HydrophobicContact CE-CB 4.45Å; M61-V340 HydrophobicContact CE-CG1 3.92Å; M61-V340 HydrophobicContact CE-CG2 4.14Å; M61-V340 HydrophobicContact SD-CG1 4.11Å; M61-V340 HydrophobicContact SD-CG2 4.37Å
62	I	98.7	Very high	97.3	Very high	58 Å²	58	58 Å²	58	30%	0.297	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.8	-171.6	-56.9	-179.3	0	0	0	110	P60 V78 A79 F84 L313	P60-I62 HydrophobicContact CB-CD1 4.35Å; P60-I62 HydrophobicContact CB-CG1 4.14Å; P60-I62 HydrophobicContact CG-CD1 4.35Å; I62-V78 CarbonylContact O-C 3.54Å; I62-V78 WeakPolarHBondContact O-CA 2.99Å; I62-A79 PolarHBondContact N-O 3.04Å; I62-A79 PolarHBondContact O-N 3.33Å; I62-F84 HydrophobicContact CD1-CE2 4.34Å; I62-L313 HydrophobicContact CB-CD2 4.46Å; I62-L313 HydrophobicContact CD1-CD2 3.87Å; I62-L313 HydrophobicContact CG2-CD2 4.2Å
63	R	98.6	Very high	97.5	Very high	151 Å²	151	56.7 Å²	56.7	57%	0.57	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	140.9	175.3	-59.5	-174.2	-54.7	176.7	6.7	111.3	D65 E76 V78	R63-D65 IonicContact CZ-OD2 3.48Å; R63-D65 IonicContact NE-OD2 3.42Å; R63-D65 IonicContact NH2-OD2 2.69Å; R63-E76 WeakPolarHBondContact CD-OE1 3.48Å; R63-V78 HydrophobicContact CG-CG1 4Å
64	M	98.6	Very high	97.6	Very high	0 Å²	0	62 Å²	62	0%	0	29%	0.29	C	S	.	.			trans	-110	68.8	177.8	-64	-172.5	-69.7	0	0	110.8	R68 L77 A79 L307 E311 L313 V323 V341	M64-R68 WeakPolarHBondContact O-CB 3.19Å; M64-R68 PolarHBondContact O-N 3.41Å; M64-L77 HydrophobicContact CB-CD2 4.14Å; M64-L77 HydrophobicContact CB-CG 4.3Å; M64-L77 HydrophobicContact CE-CD1 4.13Å; M64-L77 HydrophobicContact CE-CD2 3.81Å; M64-L77 HydrophobicContact CE-CG 3.6Å; M64-L77 PolarHBondContact N-O 3.33Å; M64-A79 HydrophobicContact CE-CB 3.92Å; M64-A79 HydrophobicContact CG-CB 4.11Å; M64-A79 HydrophobicContact SD-CB 3.8Å; M64-L307 HydrophobicContact SD-CD2 3.55Å; M64-L307 VanDerWaalsContact SD-CD2 3.55Å; M64-E311 WeakPolarHBondContact CA-OE1 3.31Å; M64-E311 HydrophobicContact CB-CG 4.24Å; M64-E311 HydrophobicContact CG-CG 4.3Å; M64-L313 HydrophobicContact CG-CD1 3.97Å; M64-L313 HydrophobicContact SD-CD1 3.96Å; M64-V323 HydrophobicContact CE-CG1 4.49Å; M64-V323 HydrophobicContact CE-CG2 3.93Å; M64-V323 HydrophobicContact SD-CG2 4.09Å; M64-V341 HydrophobicContact CE-CB 4.28Å; M64-V341 HydrophobicContact CE-CG2 4.06Å
65	D	98.3	Very high	97.8	Very high	40 Å²	40	60.3 Å²	60.3	21%	0.214	28%	0.281	C	S	.	.	H	α-helix	trans	-70	-30.3	-170.6	-90.2	-48.8	0	0	0	114.6	R63 R68 K69 E311	R63-D65 IonicContact CZ-OD2 3.48Å; R63-D65 IonicContact NE-OD2 3.42Å; R63-D65 IonicContact NH2-OD2 2.69Å; D65-R68 IonicContact OD1-CZ 2.68Å; D65-R68 IonicContact OD1-NE 2.69Å; D65-R68 PolarHBondContact OD1-NE 3.24Å; D65-R68 IonicContact OD1-NH2 3.62Å; D65-R68 PolarHBondContact OD1-NH2 2.94Å; D65-K69 WeakPolarHBondContact O-CB 3.38Å; D65-K69 VanDerWaalsContact O-CG 3.23Å; D65-K69 WeakPolarHBondContact O-CG 3.49Å; D65-K69 PolarHBondContact O-N 2.84Å; D65-K69 VanDerWaalsContact O-N 3.17Å; D65-E311 PolarHBondContact N-OE1 2.61Å
66	R	98.5	Very high	98	Very high	147 Å²	147	57.3 Å²	57.3	56%	0.555	27%	0.271	S	S	*	.	H	α-helix	trans	-80.1	-46.6	-177.1	-64.2	161	-173.5	93	-4	110.4	R68 K69 E70 K310 E311	R66-R68 VanDerWaalsContact C-N 3.32Å; R66-R68 PolarHBondContact O-N 3.1Å; R66-K69 PolarHBondContact O-N 2.82Å; R66-E70 WeakPolarHBondContact O-CB 3.48Å; R66-E70 PolarHBondContact O-N 3.2Å; R66-K310 HydrophobicContact CB-CB 4.22Å; R66-K310 WeakPolarHBondContact CD-O 3.29Å; R66-K310 PolarHBondContact NE-O 2.97Å; R66-E311 WeakPolarHBondContact CA-OE1 3.35Å; R66-E311 WeakPolarHBondContact CB-OE1 3.3Å; R66-E311 IonicContact CZ-OE2 3.93Å; R66-E311 PolarHBondContact N-OE1 3.28Å; R66-E311 IonicContact NH1-OE2 2.89Å; R66-E311 PolarHBondContact NH1-OE2 3.49Å
67	I	98.5	Very high	98.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.4	-46.9	172.4	-64.4	-67.4	0	0	0	109.7	K69 E70 Y71 L77 M303 E306 L307 K310 E311 V323 V327	I67-K69 VanDerWaalsContact C-N 3.35Å; I67-K69 PolarHBondContact O-N 2.93Å; I67-E70 PolarHBondContact O-N 3.04Å; I67-Y71 HydrophobicContact CG2-CD2 4Å; I67-Y71 HydrophobicContact CG2-CE2 4.33Å; I67-Y71 WeakPolarHBondContact O-CD2 3.5Å; I67-Y71 PolarHBondContact O-N 3.44Å; I67-Y71 VanDerWaalsContact O-N 3.1Å; I67-L77 HydrophobicContact CG2-CD2 4.11Å; I67-M303 HydrophobicContact CD1-SD 4.22Å; I67-E306 HydrophobicContact CD1-CB 4.06Å; I67-L307 HydrophobicContact CG1-CD2 4.39Å; I67-K310 HydrophobicContact CD1-CB 4.37Å; I67-K310 HydrophobicContact CD1-CD 3.75Å; I67-E311 HydrophobicContact CG1-CG 3.81Å; I67-E311 PolarHBondContact N-OE1 3.23Å; I67-V323 HydrophobicContact CG2-CG1 4.09Å; I67-V327 HydrophobicContact CG2-CG2 4.19Å
68	R	98.3	Very high	98.2	Very high	61 Å²	61	56.8 Å²	56.8	23%	0.23	27%	0.268	C	S	.	.	H	α-helix	trans	-52.2	-51.7	176.2	-178.7	-171.3	61.6	128.2	-11.3	112.2	M64 D65 R66 G72 L73 C75 L77	M64-R68 WeakPolarHBondContact O-CB 3.19Å; M64-R68 PolarHBondContact O-N 3.41Å; D65-R68 IonicContact OD1-CZ 2.68Å; D65-R68 IonicContact OD1-NE 2.69Å; D65-R68 PolarHBondContact OD1-NE 3.24Å; D65-R68 IonicContact OD1-NH2 3.62Å; D65-R68 PolarHBondContact OD1-NH2 2.94Å; R66-R68 VanDerWaalsContact C-N 3.32Å; R66-R68 PolarHBondContact O-N 3.1Å; R68-G72 PolarHBondContact O-N 2.98Å; R68-L73 HydrophobicContact CG-CB 3.81Å; R68-L73 WeakPolarHBondContact CG-O 3.42Å; R68-L73 PolarHBondContact O-N 3.08Å; R68-C75 WeakPolarHBondContact CD-O 2.97Å; R68-L77 HydrophobicContact CB-CB 4.24Å; R68-L77 HydrophobicContact CG-CB 4.49Å
69	K	98	Very high	98.4	Very high	149 Å²	149	54.5 Å²	54.5	65%	0.648	26%	0.256	S	S	*	.	H	α-helix	trans	-65.5	-44.5	-178.4	-76	174.2	-176.5	-179	0	112.4	D65 R66 I67 Y71 G72	D65-K69 WeakPolarHBondContact O-CB 3.38Å; D65-K69 VanDerWaalsContact O-CG 3.23Å; D65-K69 WeakPolarHBondContact O-CG 3.49Å; D65-K69 PolarHBondContact O-N 2.84Å; D65-K69 VanDerWaalsContact O-N 3.17Å; R66-K69 PolarHBondContact O-N 2.82Å; I67-K69 VanDerWaalsContact C-N 3.35Å; I67-K69 PolarHBondContact O-N 2.93Å; K69-Y71 VanDerWaalsContact C-N 3.32Å; K69-Y71 PolarHBondContact O-N 2.95Å; K69-G72 PolarHBondContact O-N 3.2Å; K69-G72 VanDerWaalsContact O-N 3.12Å
70	E	97.8	Very high	98.4	Very high	114 Å²	114	54.4 Å²	54.4	53%	0.533	26%	0.255	S	S	.	.	H	α-helix	trans	-63.9	-38.2	-176.5	-174.5	168.1	162.8	0	0	112.7	R66 I67 G72 K310	R66-E70 WeakPolarHBondContact O-CB 3.48Å; R66-E70 PolarHBondContact O-N 3.2Å; I67-E70 PolarHBondContact O-N 3.04Å; E70-G72 VanDerWaalsContact C-N 3.29Å; E70-G72 PolarHBondContact O-N 3.38Å; E70-K310 IonicContact OE1-NZ 3.09Å; E70-K310 PolarHBondContact OE1-NZ 3.04Å; E70-K310 VanDerWaalsContact OE2-CD 3.26Å; E70-K310 WeakPolarHBondContact OE2-CD 3.45Å; E70-K310 WeakPolarHBondContact OE2-CE 3.45Å; E70-K310 IonicContact OE2-NZ 2.84Å; E70-K310 PolarHBondContact OE2-NZ 3.17Å
71	Y	97.9	Very high	98.5	Very high	78 Å²	78	52.2 Å²	52.2	31%	0.306	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	9.6	176.7	-71.8	-88.7	0	0	0	113.6	I67 K69 L73 M303 E306 V327	I67-Y71 HydrophobicContact CG2-CD2 4Å; I67-Y71 HydrophobicContact CG2-CE2 4.33Å; I67-Y71 WeakPolarHBondContact O-CD2 3.5Å; I67-Y71 PolarHBondContact O-N 3.44Å; I67-Y71 VanDerWaalsContact O-N 3.1Å; K69-Y71 VanDerWaalsContact C-N 3.32Å; K69-Y71 PolarHBondContact O-N 2.95Å; Y71-L73 VanDerWaalsContact C-N 3.27Å; Y71-L73 PolarHBondContact O-N 3.37Å; Y71-M303 HydrophobicContact CE1-CE 4.45Å; Y71-M303 HydrophobicContact CE2-CE 3.74Å; Y71-M303 VanDerWaalsContact OH-CE 3.32Å; Y71-M303 WeakPolarHBondContact OH-CE 3.19Å; Y71-E306 PolarHBondContact OH-OE2 2.88Å; Y71-V327 VanDerWaalsContact CB-CG2 3.5Å; Y71-V327 HydrophobicContact CD1-CB 4.42Å; Y71-V327 HydrophobicContact CD1-CG1 3.47Å; Y71-V327 VanDerWaalsContact CD1-CG1 3.47Å; Y71-V327 HydrophobicContact CD1-CG2 4.06Å; Y71-V327 HydrophobicContact CD2-CG2 3.82Å; Y71-V327 HydrophobicContact CE1-CG1 3.9Å; Y71-V327 HydrophobicContact CG-CB 4.35Å; Y71-V327 HydrophobicContact CG-CG1 3.86Å; Y71-V327 HydrophobicContact CG-CG2 3.52Å
72	G	98	Very high	98.5	Very high	59 Å²	59	50.1 Å²	50.1	61%	0.608	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	25.3	174.3	0	0	0	0	0	114.7	R68 K69 E70	R68-G72 PolarHBondContact O-N 2.98Å; K69-G72 PolarHBondContact O-N 3.2Å; K69-G72 VanDerWaalsContact O-N 3.12Å; E70-G72 VanDerWaalsContact C-N 3.29Å; E70-G72 PolarHBondContact O-N 3.38Å
73	L	98.3	Very high	98.5	Very high	9 Å²	9	48.6 Å²	48.6	5%	0.047	22%	0.222	C	C	.	.			trans	-75	132.8	178.7	-60.8	-176.5	0	0	0	110.7	R68 Y71 L77 V327 A330 K331	R68-L73 HydrophobicContact CG-CB 3.81Å; R68-L73 WeakPolarHBondContact CG-O 3.42Å; R68-L73 PolarHBondContact O-N 3.08Å; Y71-L73 VanDerWaalsContact C-N 3.27Å; Y71-L73 PolarHBondContact O-N 3.37Å; L73-L77 HydrophobicContact CD1-CD2 4.09Å; L73-V327 HydrophobicContact CD1-CG2 3.78Å; L73-V327 HydrophobicContact CG-CG2 4.33Å; L73-A330 HydrophobicContact CD1-CB 4.35Å; L73-A330 HydrophobicContact CD2-CB 4.31Å; L73-K331 HydrophobicContact CD2-CG 4.34Å
74	K	98.4	Very high	98.5	Very high	129 Å²	129	46.1 Å²	46.1	56%	0.561	22%	0.215	S	C	*	.			trans	-82.9	-41.2	178.2	-62.7	-176.9	-178.6	-178.9	0	112.3	E335	K74-E335 HydrophobicContact CB-CG 3.92Å; K74-E335 WeakPolarHBondContact O-CA 3.33Å
75	C	98.7	Very high	98.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-66.5	160.7	-178.7	66.4	0	0	0	0	113.6	R68 L77 L333 N334 Q337	R68-C75 WeakPolarHBondContact CD-O 2.97Å; C75-L77 PolarHBondContact O-N 3.47Å; C75-L333 HydrophobicContact CB-CB 3.51Å; C75-L333 HydrophobicContact CB-CD1 4.24Å; C75-N334 WeakPolarHBondContact CA-O 3.23Å; C75-N334 WeakPolarHBondContact CB-O 3.27Å; C75-N334 PolarHBondContact N-O 3.05Å; C75-Q337 CarbonylContact C-O 3.55Å; C75-Q337 WeakPolarHBondContact CA-O 3.29Å; C75-Q337 HydrophobicContact CB-CB 4.21Å; C75-Q337 VanDerWaalsContact CB-O 3.24Å; C75-Q337 WeakPolarHBondContact CB-O 3.31Å
76	E	98.7	Very high	98.4	Very high	51 Å²	51	46.9 Å²	46.9	24%	0.238	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	131.8	168.6	-167.1	178	-145.3	0	0	110.3	R63 V78 Q337 R338 C339	R63-E76 WeakPolarHBondContact CD-OE1 3.48Å; E76-V78 HydrophobicContact CG-CG1 3.82Å; E76-Q337 PolarHBondContact N-O 3.04Å; E76-R338 HydrophobicContact CB-CB 4.47Å; E76-R338 HydrophobicContact CB-CG 4.42Å; E76-R338 WeakPolarHBondContact O-CA 3.48Å; E76-R338 IonicContact OE2-CZ 3.59Å; E76-R338 IonicContact OE2-NE 2.71Å; E76-R338 PolarHBondContact OE2-NE 3.05Å; E76-R338 IonicContact OE2-NH2 3.43Å; E76-R338 PolarHBondContact OE2-NH2 3.41Å; E76-C339 PolarHBondContact O-N 2.81Å
77	L	98.8	Very high	98.3	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.2	176.2	-175.9	67.5	0	0	0	109	M64 I67 R68 L73 C75 A326 C339 V341	M64-L77 HydrophobicContact CB-CD2 4.14Å; M64-L77 HydrophobicContact CB-CG 4.3Å; M64-L77 HydrophobicContact CE-CD1 4.13Å; M64-L77 HydrophobicContact CE-CD2 3.81Å; M64-L77 HydrophobicContact CE-CG 3.6Å; M64-L77 PolarHBondContact N-O 3.33Å; I67-L77 HydrophobicContact CG2-CD2 4.11Å; R68-L77 HydrophobicContact CB-CB 4.24Å; R68-L77 HydrophobicContact CG-CB 4.49Å; L73-L77 HydrophobicContact CD1-CD2 4.09Å; C75-L77 PolarHBondContact O-N 3.47Å; L77-A326 HydrophobicContact CD1-CB 4.27Å; L77-C339 HydrophobicContact CD1-CB 4.02Å; L77-V341 HydrophobicContact CD1-CG2 3.75Å
78	V	98.7	Very high	98.2	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.03	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.6	-176.8	-56.1	0	0	0	0	112	M61 I62 R63 E76 R338 C339 V340 V341	M61-V78 HydrophobicContact CG-CB 4.07Å; M61-V78 HydrophobicContact CG-CG2 4.08Å; M61-V78 HydrophobicContact SD-CB 3.98Å; M61-V78 HydrophobicContact SD-CG2 3.64Å; I62-V78 CarbonylContact O-C 3.54Å; I62-V78 WeakPolarHBondContact O-CA 2.99Å; R63-V78 HydrophobicContact CG-CG1 4Å; E76-V78 HydrophobicContact CG-CG1 3.82Å; V78-R338 HydrophobicContact CG2-CG 4.18Å; V78-C339 PolarHBondContact N-O 2.93Å; V78-V340 HydrophobicContact CG2-CB 4.06Å; V78-V340 HydrophobicContact CG2-CG1 4.5Å; V78-V340 HydrophobicContact CG2-CG2 3.33Å; V78-V340 CarbonylContact O-C 3.55Å; V78-V340 WeakPolarHBondContact O-CA 3.1Å; V78-V341 PolarHBondContact O-N 3.09Å
79	A	98.9	Very high	98.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.9	-176.7	0	0	0	0	0	111.5	M61 I62 M64 C81 L313 V341 L343	M61-A79 CarbonylContact C-O 3.59Å; M61-A79 WeakPolarHBondContact CA-O 3.24Å; M61-A79 VanDerWaalsContact SD-C 3.52Å; I62-A79 PolarHBondContact N-O 3.04Å; I62-A79 PolarHBondContact O-N 3.33Å; M64-A79 HydrophobicContact CE-CB 3.92Å; M64-A79 HydrophobicContact CG-CB 4.11Å; M64-A79 HydrophobicContact SD-CB 3.8Å; A79-C81 PolarHBondContact O-N 2.92Å; A79-C81 PolarHBondContact O-SG 3.5Å; A79-C81 VanDerWaalsContact O-SG 3.38Å; A79-L313 HydrophobicContact CB-CD1 4.24Å; A79-V341 CarbonylContact C-O 3.56Å; A79-V341 WeakPolarHBondContact CA-O 3.32Å; A79-L343 HydrophobicContact CB-CD1 3.55Å; A79-L343 HydrophobicContact CB-CG 3.87Å
80	K	98.9	Very high	98.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	103	167.3	-175.3	58.9	165.7	171.4	0	108.6	T59 M61 E82 E211 I212 V340 V341 V342 L343	T59-K80 PolarHBondContact O-NZ 2.95Å; T59-K80 WeakPolarHBondContact OG1-CD 3.17Å; T59-K80 WeakPolarHBondContact OG1-CE 3.4Å; T59-K80 PolarHBondContact OG1-NZ 2.89Å; M61-K80 HydrophobicContact CE-CB 4.05Å; M61-K80 HydrophobicContact CE-CD 3.92Å; M61-K80 HydrophobicContact CE-CG 4.47Å; M61-K80 HydrophobicContact SD-CB 4.11Å; K80-E82 PolarHBondContact O-N 2.82Å; K80-E82 VanDerWaalsContact O-N 3.16Å; K80-E211 WeakPolarHBondContact CE-OE2 3.36Å; K80-E211 IonicContact NZ-OE2 2.7Å; K80-E211 PolarHBondContact NZ-OE2 3.38Å; K80-I212 HydrophobicContact CD-CG1 4.13Å; K80-I212 HydrophobicContact CG-CD1 4.25Å; K80-I212 HydrophobicContact CG-CG1 4.2Å; K80-V340 HydrophobicContact CB-CG1 4.27Å; K80-V341 PolarHBondContact N-O 3Å; K80-V342 HydrophobicContact CB-CG2 4.33Å; K80-L343 PolarHBondContact O-N 2.98Å
81	C	98.8	Very high	98.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	80	-165.3	-60.6	0	0	0	0	112.1	T59 P60 A79 F83 F84	T59-C81 WeakPolarHBondContact CB-O 3.4Å; P60-C81 HydrophobicContact CG-CB 4.07Å; P60-C81 PolarHBondContact O-N 2.75Å; A79-C81 PolarHBondContact O-N 2.92Å; A79-C81 PolarHBondContact O-SG 3.5Å; A79-C81 VanDerWaalsContact O-SG 3.38Å; C81-F83 HydrophobicContact CB-CD1 4.18Å; C81-F83 HydrophobicContact CB-CE1 3.61Å; C81-F83 HydrophobicContact CB-CE2 4.29Å; C81-F83 HydrophobicContact CB-CZ 3.67Å; C81-F83 PolarHBondContact O-N 3.16Å; C81-F84 HydrophobicContact CB-CD2 3.63Å; C81-F84 HydrophobicContact CB-CE2 3.91Å; C81-F84 PolarHBondContact O-N 2.88Å
82	E	98.9	Very high	98.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-71.3	-11.4	-177	-68	-65.2	125.6	0	0	114.4	T59 K80 F84 N85 S89 V90 R93 V342 L343	T59-E82 WeakPolarHBondContact CB-OE1 3.35Å; T59-E82 PolarHBondContact OG1-OE1 3.37Å; K80-E82 PolarHBondContact O-N 2.82Å; K80-E82 VanDerWaalsContact O-N 3.16Å; E82-F84 PolarHBondContact O-N 2.68Å; E82-N85 PolarHBondContact O-N 2.76Å; E82-N85 PolarHBondContact O-ND2 2.82Å; E82-N85 PolarHBondContact OE2-ND2 2.95Å; E82-S89 CarbonylContact O-C 2.97Å; E82-S89 VanDerWaalsContact O-C 3.28Å; E82-S89 WeakPolarHBondContact O-CA 3.33Å; E82-V90 HydrophobicContact CB-CB 3.62Å; E82-V90 HydrophobicContact CB-CG2 4.17Å; E82-V90 HydrophobicContact CG-CB 3.86Å; E82-V90 HydrophobicContact CG-CG2 3.83Å; E82-R93 IonicContact OE1-CZ 3.15Å; E82-R93 IonicContact OE1-NE 3.75Å; E82-R93 IonicContact OE1-NH2 3.24Å; E82-R93 PolarHBondContact OE1-NH2 2.76Å; E82-R93 IonicContact OE2-CZ 2.71Å; E82-R93 IonicContact OE2-NE 3.75Å; E82-R93 PolarHBondContact OE2-NE 3.46Å; E82-R93 IonicContact OE2-NH2 3.52Å; E82-R93 PolarHBondContact OE2-NH2 3.05Å; E82-V342 HydrophobicContact CG-CG1 3.96Å; E82-L343 WeakPolarHBondContact CB-O 3.4Å; E82-L343 PolarHBondContact N-O 3.37Å
83	F	98.5	Very high	98.3	Very high	26 Å²	26	20.2 Å²	20.2	11%	0.114	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-69.9	-5.7	172.7	59.4	-100.4	0	0	0	114.4	C81 L313 C315 L343 D345 G346	C81-F83 HydrophobicContact CB-CD1 4.18Å; C81-F83 HydrophobicContact CB-CE1 3.61Å; C81-F83 HydrophobicContact CB-CE2 4.29Å; C81-F83 HydrophobicContact CB-CZ 3.67Å; C81-F83 PolarHBondContact O-N 3.16Å; F83-L313 HydrophobicContact CZ-CB 4.36Å; F83-L313 HydrophobicContact CZ-CD2 4.24Å; F83-C315 HydrophobicContact CD1-CB 3.82Å; F83-C315 HydrophobicContact CE1-CB 3.73Å; F83-C315 HydrophobicContact CZ-CB 4.46Å; F83-L343 HydrophobicContact CD1-CB 3.97Å; F83-L343 HydrophobicContact CE1-CB 3.86Å; F83-L343 HydrophobicContact CE1-CD1 3.97Å; F83-D345 WeakPolarHBondContact CB-O 2.84Å; F83-G346 VanDerWaalsContact CB-N 3.32Å
84	F	98.4	Very high	98.3	Very high	98 Å²	98	19.8 Å²	19.8	43%	0.43	10%	0.098	S	C	.	.	G	3₁₀ helix	trans	-85.9	-7.8	172.1	-80.3	-81.4	0	0	0	114.6	P60 I62 C81 E82	P60-F84 HydrophobicContact CG-CB 4.39Å; P60-F84 HydrophobicContact CG-CD2 3.38Å; P60-F84 HydrophobicContact CG-CE2 3.66Å; P60-F84 HydrophobicContact CG-CG 3.89Å; P60-F84 HydrophobicContact CG-CZ 4.39Å; I62-F84 HydrophobicContact CD1-CE2 4.34Å; C81-F84 HydrophobicContact CB-CD2 3.63Å; C81-F84 HydrophobicContact CB-CE2 3.91Å; C81-F84 PolarHBondContact O-N 2.88Å; E82-F84 PolarHBondContact O-N 2.68Å
85	N	98.3	Very high	98.3	Very high	5 Å²	5	13.6 Å²	13.6	3%	0.027	7%	0.071	C	C	.	.	S	Bend	trans	-59.8	156.2	171.5	-69.1	-65.6	0	0	0	110.4	G57 E82 G87 G88 S89 D92	G57-N85 PolarHBondContact N-OD1 3.09Å; E82-N85 PolarHBondContact O-N 2.76Å; E82-N85 PolarHBondContact O-ND2 2.82Å; E82-N85 PolarHBondContact OE2-ND2 2.95Å; N85-G87 PolarHBondContact O-N 3.49Å; N85-G88 VanDerWaalsContact O-CA 3.25Å; N85-G88 WeakPolarHBondContact O-CA 3.32Å; N85-G88 PolarHBondContact O-N 2.87Å; N85-S89 WeakPolarHBondContact CB-O 3.41Å; N85-S89 PolarHBondContact ND2-O 2.93Å; N85-D92 HydrophobicContact CB-CB 3.87Å; N85-D92 WeakPolarHBondContact CB-OD2 3.33Å
86	C	96.4	Very high	98.2	Very high	51 Å²	51	14.5 Å²	14.5	35%	0.345	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-44.7	-172.1	178.9	0	0	0	0	114.4	A52 I56 G88 D92 L128	A52-C86 WeakPolarHBondContact CB-SG 3.49Å; A52-C86 WeakPolarHBondContact O-CB 3.45Å; I56-C86 HydrophobicContact CG1-CB 4.41Å; C86-G88 PolarHBondContact O-N 3.24Å; C86-D92 PolarHBondContact N-OD2 3Å; C86-L128 HydrophobicContact CB-CD2 4.38Å
87	G	96.6	Very high	98.1	Very high	6 Å²	6	12.5 Å²	12.5	6%	0.062	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-10	174.4	0	0	0	0	0	113.1	N85 D92 R348	N85-G87 PolarHBondContact O-N 3.49Å; G87-D92 WeakPolarHBondContact CA-OD1 3.45Å; G87-D92 WeakPolarHBondContact CA-OD2 3.24Å; G87-D92 PolarHBondContact N-OD2 3.46Å; G87-R348 VanDerWaalsContact O-CZ 3.32Å; G87-R348 PolarHBondContact O-NH1 3.1Å; G87-R348 PolarHBondContact O-NH2 2.77Å
88	G	98	Very high	98.1	Very high	10 Å²	10	12.4 Å²	12.4	10%	0.103	7%	0.066	C	C	.	.	S	Bend	trans	92.2	18.3	174	0	0	0	0	0	114.1	N85 C86 D92 D345 G346	N85-G88 VanDerWaalsContact O-CA 3.25Å; N85-G88 WeakPolarHBondContact O-CA 3.32Å; N85-G88 PolarHBondContact O-N 2.87Å; C86-G88 PolarHBondContact O-N 3.24Å; G88-D92 PolarHBondContact N-OD2 3.23Å; G88-D92 VanDerWaalsContact N-OD2 3.14Å; G88-D345 WeakPolarHBondContact O-CA 3.49Å; G88-G346 PolarHBondContact O-N 3.15Å
89	S	98.5	Very high	98	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-155.4	164.7	177.3	81.5	0	0	0	0	115	E82 N85 K91 D92 P344	E82-S89 CarbonylContact O-C 2.97Å; E82-S89 VanDerWaalsContact O-C 3.28Å; E82-S89 WeakPolarHBondContact O-CA 3.33Å; N85-S89 WeakPolarHBondContact CB-O 3.41Å; N85-S89 PolarHBondContact ND2-O 2.93Å; S89-K91 PolarHBondContact O-N 3.23Å; S89-K91 PolarHBondContact OG-N 3.48Å; S89-D92 PolarHBondContact N-OD2 3.29Å; S89-D92 WeakPolarHBondContact O-CB 3.47Å; S89-D92 PolarHBondContact O-N 3Å; S89-D92 VanDerWaalsContact O-N 3.16Å; S89-P344 CarbonylContact C-O 3.58Å; S89-P344 WeakPolarHBondContact CA-O 3.47Å
90	V	98.5	Very high	97.9	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.012	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-23.7	171	68.9	0	0	0	0	113.6	E82 D92 R93 H204 T232 P344	E82-V90 HydrophobicContact CB-CB 3.62Å; E82-V90 HydrophobicContact CB-CG2 4.17Å; E82-V90 HydrophobicContact CG-CB 3.86Å; E82-V90 HydrophobicContact CG-CG2 3.83Å; V90-D92 PolarHBondContact O-N 2.83Å; V90-R93 PolarHBondContact O-N 3.49Å; V90-H204 VanDerWaalsContact CG2-CE1 3.48Å; V90-H204 WeakPolarHBondContact CG2-CE1 3.29Å; V90-T232 HydrophobicContact CG2-CG2 4.41Å; V90-P344 HydrophobicContact CB-CB 4.48Å; V90-P344 HydrophobicContact CG1-CB 3.82Å; V90-P344 PolarHBondContact N-O 3.49Å
91	K	98.2	Very high	97.7	Very high	25 Å²	25	15 Å²	15	11%	0.109	8%	0.078	C	C	.	.	H	α-helix	trans	-76	-12.6	-176.7	-58.3	-61.1	-174.1	-75	0	112.8	S89 R93 V94 A95 N121 S125	S89-K91 PolarHBondContact O-N 3.23Å; S89-K91 PolarHBondContact OG-N 3.48Å; K91-R93 VanDerWaalsContact C-N 3.25Å; K91-R93 PolarHBondContact O-N 3.11Å; K91-V94 PolarHBondContact O-N 2.82Å; K91-V94 VanDerWaalsContact O-N 3.15Å; K91-A95 PolarHBondContact O-N 3.19Å; K91-N121 HydrophobicContact CB-CB 4.11Å; K91-N121 HydrophobicContact CG-CB 3.69Å; K91-S125 WeakPolarHBondContact O-CB 3.37Å; K91-S125 PolarHBondContact O-OG 2.83Å
92	D	98.4	Very high	97.6	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-58.5	-41.8	173.8	-62.8	-14.5	0	0	0	110.9	I56 N85 C86 G87 G88 S89 V90 V94 A95 V96 S125	I56-D92 HydrophobicContact CD1-CB 3.83Å; I56-D92 HydrophobicContact CG1-CB 3.88Å; I56-D92 HydrophobicContact CG2-CB 3.93Å; N85-D92 HydrophobicContact CB-CB 3.87Å; N85-D92 WeakPolarHBondContact CB-OD2 3.33Å; C86-D92 PolarHBondContact N-OD2 3Å; G87-D92 WeakPolarHBondContact CA-OD1 3.45Å; G87-D92 WeakPolarHBondContact CA-OD2 3.24Å; G87-D92 PolarHBondContact N-OD2 3.46Å; G88-D92 PolarHBondContact N-OD2 3.23Å; G88-D92 VanDerWaalsContact N-OD2 3.14Å; S89-D92 PolarHBondContact N-OD2 3.29Å; S89-D92 WeakPolarHBondContact O-CB 3.47Å; S89-D92 PolarHBondContact O-N 3Å; S89-D92 VanDerWaalsContact O-N 3.16Å; V90-D92 PolarHBondContact O-N 2.83Å; D92-V94 PolarHBondContact O-N 3.22Å; D92-A95 PolarHBondContact O-N 3.01Å; D92-V96 PolarHBondContact O-N 2.9Å; D92-S125 WeakPolarHBondContact CA-OG 3.38Å; D92-S125 PolarHBondContact N-OG 3.49Å; D92-S125 VanDerWaalsContact N-OG 3.13Å; D92-S125 WeakPolarHBondContact OD1-CB 3.42Å; D92-S125 PolarHBondContact OD1-OG 3.33Å
93	R	98.1	Very high	97.5	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.015	9%	0.091	C	C	.	.	H	α-helix	trans	-60	-45.5	175.8	-59.1	179.5	-177.8	-97	9.6	112.2	I56 G57 T59 E82 V90 K91 R97 T208 E211	I56-R93 HydrophobicContact CG2-CB 4.32Å; I56-R93 HydrophobicContact CG2-CG 3.78Å; G57-R93 VanDerWaalsContact CA-CZ 3.43Å; T59-R93 PolarHBondContact OG1-NH2 3.16Å; E82-R93 IonicContact OE1-CZ 3.15Å; E82-R93 IonicContact OE1-NE 3.75Å; E82-R93 IonicContact OE1-NH2 3.24Å; E82-R93 PolarHBondContact OE1-NH2 2.76Å; E82-R93 IonicContact OE2-CZ 2.71Å; E82-R93 IonicContact OE2-NE 3.75Å; E82-R93 PolarHBondContact OE2-NE 3.46Å; E82-R93 IonicContact OE2-NH2 3.52Å; E82-R93 PolarHBondContact OE2-NH2 3.05Å; V90-R93 PolarHBondContact O-N 3.49Å; K91-R93 VanDerWaalsContact C-N 3.25Å; K91-R93 PolarHBondContact O-N 3.11Å; R93-R97 WeakPolarHBondContact O-CB 3.12Å; R93-R97 PolarHBondContact O-N 3.46Å; R93-R97 VanDerWaalsContact O-N 3.09Å; R93-T208 VanDerWaalsContact CD-OG1 3.25Å; R93-T208 WeakPolarHBondContact CD-OG1 3.17Å; R93-T208 PolarHBondContact NE-OG1 3.15Å; R93-E211 IonicContact CZ-OE1 2.76Å; R93-E211 IonicContact CZ-OE2 2.91Å; R93-E211 IonicContact NH1-OE1 2.69Å; R93-E211 PolarHBondContact NH1-OE1 3.47Å; R93-E211 IonicContact NH1-OE2 2.66Å; R93-E211 IonicContact NH2-OE1 2.7Å; R93-E211 PolarHBondContact NH2-OE1 2.98Å; R93-E211 IonicContact NH2-OE2 3.69Å; R93-E211 PolarHBondContact NH2-OE2 3.5Å
94	V	97.9	Very high	97.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-68.2	-45.4	-176.8	175.5	0	0	0	0	110.5	K91 D92 R97 M98 N200 H204	K91-V94 PolarHBondContact O-N 2.82Å; K91-V94 VanDerWaalsContact O-N 3.15Å; D92-V94 PolarHBondContact O-N 3.22Å; V94-R97 PolarHBondContact O-N 2.97Å; V94-M98 HydrophobicContact CG1-CE 3.78Å; V94-M98 HydrophobicContact CG1-CG 4.24Å; V94-M98 HydrophobicContact CG1-SD 3.91Å; V94-M98 WeakPolarHBondContact O-CB 3.46Å; V94-M98 VanDerWaalsContact O-CG 3.27Å; V94-M98 WeakPolarHBondContact O-CG 3.24Å; V94-M98 PolarHBondContact O-N 3.48Å; V94-N200 HydrophobicContact CG1-CB 3.73Å; V94-N200 VanDerWaalsContact CG2-OD1 3.31Å; V94-N200 WeakPolarHBondContact CG2-OD1 3.37Å; V94-H204 WeakPolarHBondContact CG2-NE2 3.35Å
95	A	97.8	Very high	97.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.8	-51.6	-178.8	0	0	0	0	0	112	K91 D92 R97 M98 I99 S125 I126	K91-A95 PolarHBondContact O-N 3.19Å; D92-A95 PolarHBondContact O-N 3.01Å; A95-R97 VanDerWaalsContact C-N 3.31Å; A95-R97 PolarHBondContact O-N 2.85Å; A95-M98 PolarHBondContact O-N 3.41Å; A95-I99 WeakPolarHBondContact O-CG1 3.4Å; A95-I99 PolarHBondContact O-N 2.99Å; A95-I99 VanDerWaalsContact O-N 3.08Å; A95-S125 VanDerWaalsContact CB-CB 3.41Å; A95-I126 HydrophobicContact CB-CG1 3.7Å
96	V	97	Very high	96.9	Very high	18 Å²	18	21.8 Å²	21.8	11%	0.109	12%	0.123	C	C	.	.	H	α-helix	trans	-59.5	-46	177.5	172.3	0	0	0	0	110.4	L53 I56 D92 M98 I99 E100	L53-V96 HydrophobicContact CB-CG2 4.38Å; L53-V96 HydrophobicContact CD2-CG2 4Å; I56-V96 HydrophobicContact CD1-CG2 3.47Å; I56-V96 VanDerWaalsContact CD1-CG2 3.47Å; D92-V96 PolarHBondContact O-N 2.9Å; V96-M98 PolarHBondContact O-N 3.13Å; V96-I99 PolarHBondContact O-N 3.03Å; V96-E100 HydrophobicContact CG1-CG 4.12Å; V96-E100 WeakPolarHBondContact O-CG 3.33Å; V96-E100 PolarHBondContact O-N 3.35Å
97	R	97.4	Very high	96.8	Very high	9 Å²	9	20 Å²	20	3%	0.034	11%	0.109	C	C	.	.	H	α-helix	trans	-62.1	-43.2	-178.4	-174.7	55.8	170.4	160.8	-8.9	113.3	Q37 H39 R93 V94 A95 E100 I101 G199 D206	Q37-R97 PolarHBondContact O-NH2 3.31Å; H39-R97 PolarHBondContact CD2-NH1 2.77Å; H39-R97 VanDerWaalsContact CD2-NH1 3.25Å; H39-R97 PolarHBondContact CE1-NH1 2.8Å; H39-R97 PolarHBondContact ND1-NH1 3.1Å; H39-R97 PolarHBondContact NE2-NH1 2.85Å; R93-R97 WeakPolarHBondContact O-CB 3.12Å; R93-R97 PolarHBondContact O-N 3.46Å; R93-R97 VanDerWaalsContact O-N 3.09Å; V94-R97 PolarHBondContact O-N 2.97Å; A95-R97 VanDerWaalsContact C-N 3.31Å; A95-R97 PolarHBondContact O-N 2.85Å; R97-E100 IonicContact NH1-OE2 3.85Å; R97-I101 HydrophobicContact CG-CD1 4.19Å; R97-I101 VanDerWaalsContact O-CG1 3.31Å; R97-I101 WeakPolarHBondContact O-CG1 3.42Å; R97-I101 PolarHBondContact O-N 3.05Å; R97-I101 VanDerWaalsContact O-N 3.08Å; R97-G199 WeakPolarHBondContact CG-O 3.48Å; R97-D206 IonicContact NH2-OD2 3.74Å
98	M	97.5	Very high	96.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.9	-39.6	177.8	-69.1	-173.4	-51.3	0	0	111.7	V94 A95 V96 G102 T122 I126 L192 Q194 N197	V94-M98 HydrophobicContact CG1-CE 3.78Å; V94-M98 HydrophobicContact CG1-CG 4.24Å; V94-M98 HydrophobicContact CG1-SD 3.91Å; V94-M98 WeakPolarHBondContact O-CB 3.46Å; V94-M98 VanDerWaalsContact O-CG 3.27Å; V94-M98 WeakPolarHBondContact O-CG 3.24Å; V94-M98 PolarHBondContact O-N 3.48Å; A95-M98 PolarHBondContact O-N 3.41Å; V96-M98 PolarHBondContact O-N 3.13Å; M98-G102 PolarHBondContact O-N 2.97Å; M98-T122 HydrophobicContact CE-CG2 4.19Å; M98-I126 HydrophobicContact CE-CD1 4.18Å; M98-L192 HydrophobicContact CB-CB 4.28Å; M98-L192 HydrophobicContact CB-CD1 4.05Å; M98-L192 HydrophobicContact CB-CD2 4.4Å; M98-L192 HydrophobicContact CB-CG 4.48Å; M98-L192 HydrophobicContact CE-CB 3.98Å; M98-L192 HydrophobicContact CE-CD1 4.2Å; M98-L192 HydrophobicContact SD-CB 4.19Å; M98-Q194 HydrophobicContact CE-CB 4.3Å; M98-Q194 HydrophobicContact SD-CB 4.21Å; M98-N197 HydrophobicContact CG-CB 4.15Å; M98-N197 HydrophobicContact SD-CB 3.79Å
99	I	97.5	Very high	96.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.5	-47.5	177	-71.3	168.7	0	0	0	110.9	A95 V96 I101 G102 E103 L108 I114 A129 K133 Y135 L192	A95-I99 WeakPolarHBondContact O-CG1 3.4Å; A95-I99 PolarHBondContact O-N 2.99Å; A95-I99 VanDerWaalsContact O-N 3.08Å; V96-I99 PolarHBondContact O-N 3.03Å; I99-I101 VanDerWaalsContact C-N 3.33Å; I99-I101 PolarHBondContact O-N 3.05Å; I99-G102 PolarHBondContact O-N 3.15Å; I99-G102 VanDerWaalsContact O-N 3.08Å; I99-E103 HydrophobicContact CG2-CG 4.35Å; I99-E103 WeakPolarHBondContact O-CG 3.29Å; I99-E103 PolarHBondContact O-N 2.9Å; I99-L108 HydrophobicContact CB-CD2 4.33Å; I99-L108 HydrophobicContact CG1-CD2 4.36Å; I99-L108 HydrophobicContact CG2-CD2 3.84Å; I99-I114 HydrophobicContact CD1-CD1 3.9Å; I99-I114 HydrophobicContact CG1-CD1 3.95Å; I99-A129 HydrophobicContact CD1-CB 3.42Å; I99-A129 VanDerWaalsContact CD1-CB 3.42Å; I99-K133 HydrophobicContact CG2-CD 3.68Å; I99-Y135 HydrophobicContact CG2-CE2 4.02Å; I99-L192 HydrophobicContact CD1-CD1 4.42Å; I99-L192 HydrophobicContact CG1-CD1 3.66Å
100	E	96.1	Very high	96.6	Very high	54 Å²	54	31.7 Å²	31.7	25%	0.252	17%	0.168	S	C	.	.	H	α-helix	trans	-59.6	-41.5	177.6	-73.6	175.7	162	0	0	112.4	H39 V96 R97 G102 E103 N104	H39-E100 IonicContact CE1-OE2 3.76Å; H39-E100 PolarHBondContact CE1-OE2 3.5Å; H39-E100 IonicContact ND1-OE2 3.22Å; V96-E100 HydrophobicContact CG1-CG 4.12Å; V96-E100 WeakPolarHBondContact O-CG 3.33Å; V96-E100 PolarHBondContact O-N 3.35Å; R97-E100 IonicContact NH1-OE2 3.85Å; E100-G102 VanDerWaalsContact C-N 3.32Å; E100-E103 PolarHBondContact O-N 3.43Å; E100-N104 WeakPolarHBondContact O-CB 3.43Å; E100-N104 PolarHBondContact O-N 3.39Å; E100-N104 PolarHBondContact O-ND2 3.4Å
101	I	95.7	Very high	96.5	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-61.7	-44.3	174.7	-71.4	170	0	0	0	109.9	R97 I99 E103 N104 E105 G199	R97-I101 HydrophobicContact CG-CD1 4.19Å; R97-I101 VanDerWaalsContact O-CG1 3.31Å; R97-I101 WeakPolarHBondContact O-CG1 3.42Å; R97-I101 PolarHBondContact O-N 3.05Å; R97-I101 VanDerWaalsContact O-N 3.08Å; I99-I101 VanDerWaalsContact C-N 3.33Å; I99-I101 PolarHBondContact O-N 3.05Å; I101-E103 PolarHBondContact O-N 3.18Å; I101-N104 PolarHBondContact O-N 2.88Å; I101-E105 HydrophobicContact CG2-CG 4.24Å; I101-E105 WeakPolarHBondContact O-CB 3.39Å; I101-E105 WeakPolarHBondContact O-CG 3.39Å; I101-E105 PolarHBondContact O-N 3.43Å; I101-G199 VanDerWaalsContact CD1-CA 3.43Å
102	G	95.7	Very high	96.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-37.3	177.6	0	0	0	0	0	114.8	M98 I99 E100 G106 Y107 L108	M98-G102 PolarHBondContact O-N 2.97Å; I99-G102 PolarHBondContact O-N 3.15Å; I99-G102 VanDerWaalsContact O-N 3.08Å; E100-G102 VanDerWaalsContact C-N 3.32Å; G102-G106 PolarHBondContact O-N 3.25Å; G102-Y107 VanDerWaalsContact CA-CE1 3.45Å; G102-Y107 WeakPolarHBondContact CA-OH 3.28Å; G102-Y107 PolarHBondContact N-OH 3.48Å; G102-Y107 PolarHBondContact O-N 2.9Å; G102-Y107 VanDerWaalsContact O-N 3.15Å; G102-L108 PolarHBondContact O-N 3.15Å
103	E	96.6	Very high	96.5	Very high	59 Å²	59	33.9 Å²	33.9	28%	0.276	19%	0.189	S	C	.	.	H	α-helix	trans	-62.9	-48	171.9	-73.5	170.2	166.8	0	0	110.6	I99 E100 I101 G106 L108 K133 Y135	I99-E103 HydrophobicContact CG2-CG 4.35Å; I99-E103 WeakPolarHBondContact O-CG 3.29Å; I99-E103 PolarHBondContact O-N 2.9Å; E100-E103 PolarHBondContact O-N 3.43Å; I101-E103 PolarHBondContact O-N 3.18Å; E103-G106 PolarHBondContact O-N 3.08Å; E103-L108 HydrophobicContact CG-CD2 4.39Å; E103-K133 WeakPolarHBondContact OE1-CD 3.48Å; E103-K133 IonicContact OE1-NZ 2.95Å; E103-K133 PolarHBondContact OE1-NZ 2.93Å; E103-K133 IonicContact OE2-NZ 2.66Å; E103-K133 PolarHBondContact OE2-NZ 3.13Å; E103-Y135 VanDerWaalsContact CG-OH 3.22Å; E103-Y135 WeakPolarHBondContact CG-OH 3.42Å; E103-Y135 PolarHBondContact OE1-OH 2.66Å
104	N	95	Very high	96.5	Very high	96 Å²	96	33.7 Å²	33.7	51%	0.513	19%	0.188	S	C	.	.	H	α-helix	trans	-70.2	-37	-177.1	-71.6	-15.1	0	0	0	113.5	Q37 E100 I101 G106	Q37-N104 PolarHBondContact OE1-ND2 3.18Å; Q37-N104 VanDerWaalsContact OE1-ND2 3.13Å; E100-N104 WeakPolarHBondContact O-CB 3.43Å; E100-N104 PolarHBondContact O-N 3.39Å; E100-N104 PolarHBondContact O-ND2 3.4Å; I101-N104 PolarHBondContact O-N 2.88Å; N104-G106 VanDerWaalsContact C-N 3.28Å
105	E	94	Very high	96.4	Very high	89 Å²	89	33.7 Å²	33.7	42%	0.416	19%	0.188	S	C	.	.	H	α-helix	trans	-80.8	-12.4	176.3	-67.7	-177.7	178.4	0	0	112.1	V8 I101 Y107	V8-E105 WeakPolarHBondContact CG1-O 3.12Å; V8-E105 WeakPolarHBondContact CG2-O 3.07Å; I101-E105 HydrophobicContact CG2-CG 4.24Å; I101-E105 WeakPolarHBondContact O-CB 3.39Å; I101-E105 WeakPolarHBondContact O-CG 3.39Å; I101-E105 PolarHBondContact O-N 3.43Å; E105-Y107 HydrophobicContact CB-CD1 3.85Å; E105-Y107 HydrophobicContact CB-CE1 4.04Å; E105-Y107 WeakPolarHBondContact OE2-CE1 3.45Å
106	G	94.7	Very high	96.4	Very high	29 Å²	29	33.7 Å²	33.7	30%	0.299	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	3.4	172.8	0	0	0	0	0	115.3	V8 G102 E103 N104 L108	V8-G106 VanDerWaalsContact CG1-C 3.43Å; G102-G106 PolarHBondContact O-N 3.25Å; E103-G106 PolarHBondContact O-N 3.08Å; N104-G106 VanDerWaalsContact C-N 3.28Å; G106-L108 VanDerWaalsContact C-N 3.31Å
107	Y	93.8	Very high	96.1	Very high	14 Å²	14	32.9 Å²	32.9	6%	0.055	18%	0.183	C	C	.	.	S	Bend	trans	-78.8	-18.1	176.3	65.6	-108.3	0	0	0	112.4	V8 P10 G102 E105 V190 L192	V8-Y107 VanDerWaalsContact CG1-CA 3.48Å; P10-Y107 HydrophobicContact CB-CD2 4.25Å; P10-Y107 HydrophobicContact CB-CG 4.31Å; G102-Y107 VanDerWaalsContact CA-CE1 3.45Å; G102-Y107 WeakPolarHBondContact CA-OH 3.28Å; G102-Y107 PolarHBondContact N-OH 3.48Å; G102-Y107 PolarHBondContact O-N 2.9Å; G102-Y107 VanDerWaalsContact O-N 3.15Å; E105-Y107 HydrophobicContact CB-CD1 3.85Å; E105-Y107 HydrophobicContact CB-CE1 4.04Å; E105-Y107 WeakPolarHBondContact OE2-CE1 3.45Å; Y107-V190 HydrophobicContact CD2-CG1 3.82Å; Y107-V190 HydrophobicContact CD2-CG2 4.45Å; Y107-V190 HydrophobicContact CE2-CG1 3.9Å; Y107-L192 HydrophobicContact CE2-CD2 4.27Å
108	L	96.3	Very high	95.7	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.026	18%	0.181	C	C	.	.	S	Bend	trans	-110	111.1	174.6	-166.1	70.2	0	0	0	110.2	I99 G102 E103 G106 M112 I114 Y135 V190	I99-L108 HydrophobicContact CB-CD2 4.33Å; I99-L108 HydrophobicContact CG1-CD2 4.36Å; I99-L108 HydrophobicContact CG2-CD2 3.84Å; G102-L108 PolarHBondContact O-N 3.15Å; E103-L108 HydrophobicContact CG-CD2 4.39Å; G106-L108 VanDerWaalsContact C-N 3.31Å; L108-M112 HydrophobicContact CD1-CB 4.43Å; L108-I114 HydrophobicContact CD1-CD1 4.36Å; L108-I114 HydrophobicContact CD1-CG1 3.84Å; L108-I114 HydrophobicContact CD2-CD1 4.14Å; L108-I114 HydrophobicContact CD2-CG1 4.5Å; L108-Y135 HydrophobicContact CD1-CD1 4.24Å; L108-Y135 HydrophobicContact CD1-CE1 3.94Å; L108-Y135 HydrophobicContact CD2-CE1 3.88Å; L108-Y135 HydrophobicContact CD2-CE2 3.87Å; L108-Y135 HydrophobicContact CG-CD1 4.27Å; L108-Y135 HydrophobicContact CG-CE1 3.52Å; L108-Y135 HydrophobicContact CG-CE2 4.42Å; L108-V190 HydrophobicContact CD1-CB 4.32Å
109	K	96.2	Very high	94.6	Very high	131 Å²	131	33.1 Å²	33.1	57%	0.57	19%	0.186	S	C	*	.			trans	-111.3	151.6	-175.5	-55.8	176.2	-176.9	173.8	0	111.4	G111 M112 Y135	K109-G111 PolarHBondContact O-N 3.25Å; K109-M112 HydrophobicContact CB-CG 4.08Å; K109-M112 HydrophobicContact CB-SD 3.58Å; K109-M112 VanDerWaalsContact CB-SD 3.58Å; K109-M112 HydrophobicContact CD-SD 4.38Å; K109-M112 HydrophobicContact CG-SD 3.91Å; K109-M112 PolarHBondContact N-SD 3.01Å; K109-M112 VanDerWaalsContact O-CB 3.23Å; K109-M112 WeakPolarHBondContact O-CB 3.49Å; K109-M112 WeakPolarHBondContact O-CG 3.48Å; K109-M112 PolarHBondContact O-N 3.32Å; K109-M112 VanDerWaalsContact O-N 3.12Å; K109-Y135 VanDerWaalsContact O-CE1 3.26Å; K109-Y135 WeakPolarHBondContact O-CE1 3.24Å
110	P	96.1	Very high	94	Very high	125 Å²	125	33.1 Å²	33.1	81%	0.812	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.5	133.6	-178.3	-28.7	35.5	0	0	0	113.3	M112	P110-M112 VanDerWaalsContact C-N 3.29Å; P110-M112 PolarHBondContact O-N 3.39Å
111	G	96.3	Very high	94	Very high	36 Å²	36	31 Å²	31	37%	0.371	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-3.2	178.7	0	0	0	0	0	116.2	K109	K109-G111 PolarHBondContact O-N 3.25Å
112	M	97.8	Very high	94	Very high	31 Å²	31	30.8 Å²	30.8	15%	0.153	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-63.6	167.3	173.8	-75	-175.7	76.1	0	0	112.6	L108 K109 P110 Y135 K136 D188 V190	L108-M112 HydrophobicContact CD1-CB 4.43Å; K109-M112 HydrophobicContact CB-CG 4.08Å; K109-M112 HydrophobicContact CB-SD 3.58Å; K109-M112 VanDerWaalsContact CB-SD 3.58Å; K109-M112 HydrophobicContact CD-SD 4.38Å; K109-M112 HydrophobicContact CG-SD 3.91Å; K109-M112 PolarHBondContact N-SD 3.01Å; K109-M112 VanDerWaalsContact O-CB 3.23Å; K109-M112 WeakPolarHBondContact O-CB 3.49Å; K109-M112 WeakPolarHBondContact O-CG 3.48Å; K109-M112 PolarHBondContact O-N 3.32Å; K109-M112 VanDerWaalsContact O-N 3.12Å; P110-M112 VanDerWaalsContact C-N 3.29Å; P110-M112 PolarHBondContact O-N 3.39Å; M112-Y135 HydrophobicContact CB-CD1 4.4Å; M112-K136 PolarHBondContact O-N 3.41Å; M112-D188 WeakPolarHBondContact CB-O 3.46Å; M112-D188 WeakPolarHBondContact CE-O 3.39Å; M112-V190 HydrophobicContact CE-CG2 3.59Å
113	T	98	Very high	94.1	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.043	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.4	177.6	-55.6	0	0	0	0	111	I115 K136 I138 D188 A189 V190	T113-I115 HydrophobicContact CG2-CG1 4.23Å; T113-K136 CarbonylContact C-O 3.45Å; T113-K136 WeakPolarHBondContact CA-O 3.42Å; T113-K136 HydrophobicContact CG2-CB 4.13Å; T113-K136 WeakPolarHBondContact OG1-CD 3.1Å; T113-I138 HydrophobicContact CG2-CD1 3.8Å; T113-I138 HydrophobicContact CG2-CG1 3.89Å; T113-D188 PolarHBondContact N-O 3.43Å; T113-A189 HydrophobicContact CG2-CB 4.42Å; T113-A189 CarbonylContact O-C 3.51Å; T113-A189 WeakPolarHBondContact O-CA 3.39Å; T113-V190 PolarHBondContact O-N 3.32Å
114	I	98.1	Very high	94.1	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	126.9	169.2	-59.5	168.3	0	0	0	108.9	I99 L108 I126 Y135 K136 C137 I138 V190 L192	I99-I114 HydrophobicContact CD1-CD1 3.9Å; I99-I114 HydrophobicContact CG1-CD1 3.95Å; L108-I114 HydrophobicContact CD1-CD1 4.36Å; L108-I114 HydrophobicContact CD1-CG1 3.84Å; L108-I114 HydrophobicContact CD2-CD1 4.14Å; L108-I114 HydrophobicContact CD2-CG1 4.5Å; I114-I126 HydrophobicContact CB-CG2 4.19Å; I114-I126 HydrophobicContact CD1-CG2 4.41Å; I114-I126 HydrophobicContact CG2-CG2 3.55Å; I114-Y135 HydrophobicContact CD1-CD2 3.95Å; I114-Y135 HydrophobicContact CD1-CG 3.87Å; I114-Y135 HydrophobicContact CG1-CG 4.37Å; I114-K136 PolarHBondContact N-O 2.72Å; I114-C137 WeakPolarHBondContact O-CA 3.42Å; I114-I138 PolarHBondContact O-N 3.02Å; I114-V190 WeakPolarHBondContact CA-O 3.45Å; I114-L192 HydrophobicContact CG2-CD1 3.76Å; I114-L192 HydrophobicContact CG2-CG 3.85Å
115	I	97	Very high	94.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.9	173.2	-56.3	173.2	0	0	0	108.1	T113 I138 V140 A179 L182 A183 L186 A189 V190 M191	T113-I115 HydrophobicContact CG2-CG1 4.23Å; I115-I138 VanDerWaalsContact CA-O 3.31Å; I115-I138 WeakPolarHBondContact CA-O 3.42Å; I115-I138 HydrophobicContact CG1-CB 4.24Å; I115-I138 HydrophobicContact CG1-CD1 4.43Å; I115-V140 HydrophobicContact CG2-CG2 4.24Å; I115-A179 HydrophobicContact CG2-CB 3.99Å; I115-L182 HydrophobicContact CD1-CB 3.8Å; I115-A183 HydrophobicContact CD1-CB 4.16Å; I115-L186 HydrophobicContact CD1-CD1 4.08Å; I115-A189 HydrophobicContact CD1-CB 3.5Å; I115-A189 HydrophobicContact CG1-CB 4.06Å; I115-V190 PolarHBondContact N-O 2.92Å; I115-M191 VanDerWaalsContact O-CA 3.29Å; I115-M191 WeakPolarHBondContact O-CA 3.45Å
116	E	96.6	Very high	94.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	127.6	174.4	-170.1	71.1	-179.3	0	0	112.8	T122 I126 I138 I139 V140 L192 N193 Q194	E116-T122 HydrophobicContact CG-CG2 4.46Å; E116-I126 HydrophobicContact CB-CD1 3.58Å; E116-I126 HydrophobicContact CG-CD1 3.53Å; E116-I138 PolarHBondContact N-O 3.4Å; E116-I138 VanDerWaalsContact N-O 3.1Å; E116-I139 HydrophobicContact CB-CD1 4.28Å; E116-V140 PolarHBondContact O-N 2.78Å; E116-L192 PolarHBondContact OE2-N 3.46Å; E116-N193 PolarHBondContact OE2-N 3.27Å; E116-Q194 WeakPolarHBondContact OE1-CB 3.45Å; E116-Q194 VanDerWaalsContact OE1-CG 3.31Å; E116-Q194 WeakPolarHBondContact OE1-CG 3.32Å; E116-Q194 PolarHBondContact OE1-N 2.84Å
117	P	92.6	Very high	94.7	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	123	166	30.5	-28.6	0	0	0	111.1	L15 V140 H175 L176 A179 M191 Q194 Y195	L15-P117 HydrophobicContact CD1-CG 4.31Å; L15-P117 HydrophobicContact CD2-CG 4.44Å; P117-V140 WeakPolarHBondContact CA-O 3.33Å; P117-H175 WeakPolarHBondContact CB-O 3.42Å; P117-L176 HydrophobicContact CB-CD2 3.9Å; P117-L176 HydrophobicContact CG-CD2 3.94Å; P117-A179 HydrophobicContact CB-CB 3.67Å; P117-A179 HydrophobicContact CG-CB 3.74Å; P117-M191 HydrophobicContact CG-SD 4.07Å; P117-Q194 PolarHBondContact O-NE2 3.22Å; P117-Q194 VanDerWaalsContact O-NE2 3.13Å; P117-Y195 HydrophobicContact CG-CE2 4.22Å; P117-Y195 PolarHBondContact O-OH 3.31Å
118	T	88	Confident	94.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.108	C	C	.	.			trans	-156.8	152.9	-171.5	-176.3	0	0	0	0	114.6	G120 T122 I139 V140 M141 Q194	T118-G120 PolarHBondContact O-N 3.16Å; T118-G120 PolarHBondContact OG1-N 3.41Å; T118-G120 VanDerWaalsContact OG1-N 3.14Å; T118-T122 WeakPolarHBondContact OG1-CB 3.48Å; T118-I139 HydrophobicContact CG2-CG2 3.46Å; T118-I139 VanDerWaalsContact CG2-CG2 3.46Å; T118-V140 PolarHBondContact N-O 3Å; T118-M141 VanDerWaalsContact O-CB 3.25Å; T118-M141 WeakPolarHBondContact O-CB 3.45Å; T118-Q194 PolarHBondContact OG1-NE2 3.24Å
119	S	75.4	Confident	95	Very high	14 Å²	14	18.1 Å²	18.1	10%	0.098	11%	0.107	C	C	.	.	S	Bend	trans	-78.9	10.7	167.7	56.5	0	0	0	0	113.7	K149	S119-K149 PolarHBondContact O-NZ 2.8Å
120	G	84	Confident	95.1	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	121	-50	161.9	0	0	0	0	0	114.7	T118 T122 G123 I124	T118-G120 PolarHBondContact O-N 3.16Å; T118-G120 PolarHBondContact OG1-N 3.41Å; T118-G120 VanDerWaalsContact OG1-N 3.14Å; G120-T122 PolarHBondContact O-N 2.99Å; G120-G123 CarbonylContact O-C 3.55Å; G120-G123 WeakPolarHBondContact O-CA 3.46Å; G120-G123 PolarHBondContact O-N 2.81Å; G120-I124 PolarHBondContact O-N 2.9Å
121	N	96.1	Very high	95.1	Very high	11 Å²	11	8.8 Å²	8.8	6%	0.059	7%	0.065	C	C	.	.	H	α-helix	trans	-62.8	-46.5	-174.2	-80	-27.8	0	0	0	112.5	K91 G123 I124 S125 D345 N349	K91-N121 HydrophobicContact CB-CB 4.11Å; K91-N121 HydrophobicContact CG-CB 3.69Å; N121-G123 PolarHBondContact O-N 2.84Å; N121-I124 PolarHBondContact O-N 3.02Å; N121-I124 VanDerWaalsContact O-N 3.16Å; N121-S125 PolarHBondContact O-N 3Å; N121-S125 PolarHBondContact O-OG 3.33Å; N121-D345 PolarHBondContact ND2-OD2 2.85Å; N121-N349 PolarHBondContact OD1-ND2 3.4Å
122	T	96.5	Very high	95.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.3	-32.6	173.8	-39.3	0	0	0	0	111.5	M98 E116 T118 G120 S125 I126 Q194	M98-T122 HydrophobicContact CE-CG2 4.19Å; E116-T122 HydrophobicContact CG-CG2 4.46Å; T118-T122 WeakPolarHBondContact OG1-CB 3.48Å; G120-T122 PolarHBondContact O-N 2.99Å; T122-S125 PolarHBondContact O-N 2.93Å; T122-I126 HydrophobicContact CG2-CD1 3.89Å; T122-I126 HydrophobicContact CG2-CG1 4.38Å; T122-I126 WeakPolarHBondContact O-CB 3.44Å; T122-I126 VanDerWaalsContact O-CG1 3.26Å; T122-I126 WeakPolarHBondContact O-CG1 3.19Å; T122-I126 PolarHBondContact O-N 2.7Å; T122-Q194 HydrophobicContact CG2-CB 4.38Å; T122-Q194 PolarHBondContact OG1-OE1 2.88Å
123	G	96.7	Very high	95.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-68.3	-42.1	175.7	0	0	0	0	0	113.4	G120 N121 A127 I139	G120-G123 CarbonylContact O-C 3.55Å; G120-G123 WeakPolarHBondContact O-CA 3.46Å; G120-G123 PolarHBondContact O-N 2.81Å; N121-G123 PolarHBondContact O-N 2.84Å; G123-A127 WeakPolarHBondContact O-CB 3.45Å; G123-A127 PolarHBondContact O-N 3.25Å; G123-I139 VanDerWaalsContact CA-CD1 3.48Å
124	I	97.6	Very high	95.2	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-59.3	-49.3	171.7	-69	167.6	0	0	0	109.9	G120 N121 A127 L128 K149 L152 I153 L156	G120-I124 PolarHBondContact O-N 2.9Å; N121-I124 PolarHBondContact O-N 3.02Å; N121-I124 VanDerWaalsContact O-N 3.16Å; I124-A127 PolarHBondContact O-N 3.19Å; I124-L128 WeakPolarHBondContact O-CB 3.33Å; I124-L128 PolarHBondContact O-N 2.59Å; I124-K149 HydrophobicContact CD1-CB 4.32Å; I124-K149 HydrophobicContact CD1-CG 4.03Å; I124-L152 HydrophobicContact CD1-CB 4.42Å; I124-L152 HydrophobicContact CD1-CD2 4.13Å; I124-L152 HydrophobicContact CG1-CB 4.39Å; I124-L152 HydrophobicContact CG1-CD2 4.38Å; I124-L152 HydrophobicContact CG2-CD2 3.79Å; I124-I153 HydrophobicContact CB-CG1 4.44Å; I124-I153 HydrophobicContact CG1-CD1 4.08Å; I124-I153 HydrophobicContact CG1-CG1 3.62Å; I124-L156 HydrophobicContact CG2-CD1 4.11Å; I124-L156 WeakPolarHBondContact O-CD1 3.4Å
125	S	98.2	Very high	95.2	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-63.6	-42.7	-177.3	-55.8	0	0	0	0	112.7	K91 D92 A95 N121 T122 L128 A129	K91-S125 WeakPolarHBondContact O-CB 3.37Å; K91-S125 PolarHBondContact O-OG 2.83Å; D92-S125 WeakPolarHBondContact CA-OG 3.38Å; D92-S125 PolarHBondContact N-OG 3.49Å; D92-S125 VanDerWaalsContact N-OG 3.13Å; D92-S125 WeakPolarHBondContact OD1-CB 3.42Å; D92-S125 PolarHBondContact OD1-OG 3.33Å; A95-S125 VanDerWaalsContact CB-CB 3.41Å; N121-S125 PolarHBondContact O-N 3Å; N121-S125 PolarHBondContact O-OG 3.33Å; T122-S125 PolarHBondContact O-N 2.93Å; S125-L128 PolarHBondContact O-N 3.01Å; S125-A129 PolarHBondContact O-N 3.11Å
126	I	98.2	Very high	95.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-67.4	-41.8	174.7	-71.8	169.1	0	0	0	110.5	A95 M98 I114 E116 T122 L128 A129 A130 L192	A95-I126 HydrophobicContact CB-CG1 3.7Å; M98-I126 HydrophobicContact CE-CD1 4.18Å; I114-I126 HydrophobicContact CB-CG2 4.19Å; I114-I126 HydrophobicContact CD1-CG2 4.41Å; I114-I126 HydrophobicContact CG2-CG2 3.55Å; E116-I126 HydrophobicContact CB-CD1 3.58Å; E116-I126 HydrophobicContact CG-CD1 3.53Å; T122-I126 HydrophobicContact CG2-CD1 3.89Å; T122-I126 HydrophobicContact CG2-CG1 4.38Å; T122-I126 WeakPolarHBondContact O-CB 3.44Å; T122-I126 VanDerWaalsContact O-CG1 3.26Å; T122-I126 WeakPolarHBondContact O-CG1 3.19Å; T122-I126 PolarHBondContact O-N 2.7Å; I126-L128 VanDerWaalsContact C-N 3.31Å; I126-L128 PolarHBondContact O-N 2.84Å; I126-A129 PolarHBondContact O-N 3.09Å; I126-A130 WeakPolarHBondContact O-CB 3.48Å; I126-A130 PolarHBondContact O-N 2.87Å; I126-L192 HydrophobicContact CD1-CD1 3.97Å; I126-L192 HydrophobicContact CG1-CD1 4.22Å
127	A	98.3	Very high	95.3	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-61.3	-40.8	177.1	0	0	0	0	0	111.7	G123 I124 A130 A131 L156 A158	G123-A127 WeakPolarHBondContact O-CB 3.45Å; G123-A127 PolarHBondContact O-N 3.25Å; I124-A127 PolarHBondContact O-N 3.19Å; A127-A130 PolarHBondContact O-N 3.26Å; A127-A131 WeakPolarHBondContact O-CB 3.38Å; A127-A131 PolarHBondContact O-N 2.91Å; A127-L156 HydrophobicContact CB-CB 3.78Å; A127-L156 HydrophobicContact CB-CD1 3.97Å; A127-A158 HydrophobicContact CB-CB 3.7Å
128	L	98.3	Very high	95.6	Very high	21 Å²	21	22.7 Å²	22.7	11%	0.11	13%	0.132	C	C	.	.	H	α-helix	trans	-61	-50.4	174.1	174.7	62.7	0	0	0	111.6	L53 C86 I124 S125 I126 A130 A131 L132 L156	L53-L128 HydrophobicContact CD2-CD2 4.38Å; L53-L128 HydrophobicContact CD2-CG 4.12Å; C86-L128 HydrophobicContact CB-CD2 4.38Å; I124-L128 WeakPolarHBondContact O-CB 3.33Å; I124-L128 PolarHBondContact O-N 2.59Å; S125-L128 PolarHBondContact O-N 3.01Å; I126-L128 VanDerWaalsContact C-N 3.31Å; I126-L128 PolarHBondContact O-N 2.84Å; L128-A130 VanDerWaalsContact C-N 3.35Å; L128-A130 PolarHBondContact O-N 3.39Å; L128-A131 PolarHBondContact O-N 2.84Å; L128-L132 HydrophobicContact CD1-CD1 4.05Å; L128-L132 HydrophobicContact CG-CD1 4.48Å; L128-L132 PolarHBondContact O-N 3.17Å; L128-L156 HydrophobicContact CB-CD1 4.16Å; L128-L156 HydrophobicContact CB-CD2 4.3Å; L128-L156 HydrophobicContact CD1-CD2 4.02Å
129	A	98.1	Very high	96	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.4	-39.8	178.8	0	0	0	0	0	112.3	L53 I99 S125 I126 L132 K133	L53-A129 HydrophobicContact CD1-CB 4.26Å; L53-A129 HydrophobicContact CD2-CB 4.11Å; I99-A129 HydrophobicContact CD1-CB 3.42Å; I99-A129 VanDerWaalsContact CD1-CB 3.42Å; S125-A129 PolarHBondContact O-N 3.11Å; I126-A129 PolarHBondContact O-N 3.09Å; A129-L132 PolarHBondContact O-N 3.21Å; A129-K133 VanDerWaalsContact O-CB 3.28Å; A129-K133 WeakPolarHBondContact O-CB 3.46Å; A129-K133 PolarHBondContact O-N 2.69Å
130	A	98.3	Very high	97	Very high	1 Å²	1	22 Å²	22	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-63	-43.5	176.6	0	0	0	0	0	112	I126 A127 L128 L132 K133 G134 Y135 C137	I126-A130 WeakPolarHBondContact O-CB 3.48Å; I126-A130 PolarHBondContact O-N 2.87Å; A127-A130 PolarHBondContact O-N 3.26Å; L128-A130 VanDerWaalsContact C-N 3.35Å; L128-A130 PolarHBondContact O-N 3.39Å; A130-L132 VanDerWaalsContact C-N 3.31Å; A130-L132 PolarHBondContact O-N 3.42Å; A130-K133 PolarHBondContact O-N 3.36Å; A130-G134 PolarHBondContact O-N 2.88Å; A130-Y135 PolarHBondContact O-N 3.43Å; A130-C137 HydrophobicContact CB-CB 3.81Å
131	A	98	Very high	97.4	Very high	58 Å²	58	22 Å²	22	48%	0.479	13%	0.127	S	C	.	.	H	α-helix	trans	-60.1	-39.7	177.2	0	0	0	0	0	112.4	A127 L128	A127-A131 WeakPolarHBondContact O-CB 3.38Å; A127-A131 PolarHBondContact O-N 2.91Å; L128-A131 PolarHBondContact O-N 2.84Å
132	L	97.5	Very high	97.1	Very high	80 Å²	80	22 Å²	22	42%	0.419	13%	0.128	S	C	.	.	H	α-helix	trans	-82	-32.7	-178.6	-66.2	175.7	0	0	0	113.3	D51 A52 L53 L128 A129 A130	D51-L132 HydrophobicContact CB-CD1 4.5Å; A52-L132 HydrophobicContact CB-CD1 3.88Å; L53-L132 HydrophobicContact CD1-CB 4.29Å; L53-L132 HydrophobicContact CD1-CD1 4.35Å; L53-L132 HydrophobicContact CD2-CD1 3.94Å; L53-L132 HydrophobicContact CG-CD1 3.69Å; L128-L132 HydrophobicContact CD1-CD1 4.05Å; L128-L132 HydrophobicContact CG-CD1 4.48Å; L128-L132 PolarHBondContact O-N 3.17Å; A129-L132 PolarHBondContact O-N 3.21Å; A130-L132 VanDerWaalsContact C-N 3.31Å; A130-L132 PolarHBondContact O-N 3.42Å
133	K	97.6	Very high	96.8	Very high	72 Å²	72	28 Å²	28	31%	0.313	16%	0.156	S	C	.	.	H	α-helix	trans	-93.4	-4.1	-179	-70.5	170.4	159.7	-78.7	0	114.3	L53 I99 E103 A129 A130 Y135	L53-K133 HydrophobicContact CD1-CD 4.19Å; L53-K133 HydrophobicContact CD1-CG 4.25Å; I99-K133 HydrophobicContact CG2-CD 3.68Å; E103-K133 WeakPolarHBondContact OE1-CD 3.48Å; E103-K133 IonicContact OE1-NZ 2.95Å; E103-K133 PolarHBondContact OE1-NZ 2.93Å; E103-K133 IonicContact OE2-NZ 2.66Å; E103-K133 PolarHBondContact OE2-NZ 3.13Å; A129-K133 VanDerWaalsContact O-CB 3.28Å; A129-K133 WeakPolarHBondContact O-CB 3.46Å; A129-K133 PolarHBondContact O-N 2.69Å; A130-K133 PolarHBondContact O-N 3.36Å; K133-Y135 HydrophobicContact CB-CD2 3.72Å; K133-Y135 HydrophobicContact CB-CE2 3.65Å; K133-Y135 HydrophobicContact CD-CE2 4.28Å
134	G	97.3	Very high	96.3	Very high	49 Å²	49	31.7 Å²	31.7	51%	0.505	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	31.5	176.8	0	0	0	0	0	114.6	A130	A130-G134 PolarHBondContact O-N 2.88Å
135	Y	98.4	Very high	95.7	Very high	21 Å²	21	32.3 Å²	32.3	8%	0.082	18%	0.175	C	C	.	.			trans	-95	148.5	171.6	-63.7	-71.2	0	0	0	111.1	I99 E103 L108 K109 M112 I114 A130 K133	I99-Y135 HydrophobicContact CG2-CE2 4.02Å; E103-Y135 VanDerWaalsContact CG-OH 3.22Å; E103-Y135 WeakPolarHBondContact CG-OH 3.42Å; E103-Y135 PolarHBondContact OE1-OH 2.66Å; L108-Y135 HydrophobicContact CD1-CD1 4.24Å; L108-Y135 HydrophobicContact CD1-CE1 3.94Å; L108-Y135 HydrophobicContact CD2-CE1 3.88Å; L108-Y135 HydrophobicContact CD2-CE2 3.87Å; L108-Y135 HydrophobicContact CG-CD1 4.27Å; L108-Y135 HydrophobicContact CG-CE1 3.52Å; L108-Y135 HydrophobicContact CG-CE2 4.42Å; K109-Y135 VanDerWaalsContact O-CE1 3.26Å; K109-Y135 WeakPolarHBondContact O-CE1 3.24Å; M112-Y135 HydrophobicContact CB-CD1 4.4Å; I114-Y135 HydrophobicContact CD1-CD2 3.95Å; I114-Y135 HydrophobicContact CD1-CG 3.87Å; I114-Y135 HydrophobicContact CG1-CG 4.37Å; A130-Y135 PolarHBondContact O-N 3.43Å; K133-Y135 HydrophobicContact CB-CD2 3.72Å; K133-Y135 HydrophobicContact CB-CE2 3.65Å; K133-Y135 HydrophobicContact CD-CE2 4.28Å
136	K	98.2	Very high	95.2	Very high	117 Å²	117	32.3 Å²	32.3	51%	0.509	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	149.4	162.9	-59.1	167.9	-165.2	156	0	108.1	M112 T113 I114 D188	M112-K136 PolarHBondContact O-N 3.41Å; T113-K136 CarbonylContact C-O 3.45Å; T113-K136 WeakPolarHBondContact CA-O 3.42Å; T113-K136 HydrophobicContact CG2-CB 4.13Å; T113-K136 WeakPolarHBondContact OG1-CD 3.1Å; I114-K136 PolarHBondContact N-O 2.72Å; K136-D188 IonicContact NZ-OD2 2.94Å; K136-D188 PolarHBondContact NZ-OD2 3.47Å; K136-D188 VanDerWaalsContact NZ-OD2 3.15Å
137	C	98.4	Very high	94.9	Very high	9 Å²	9	35.7 Å²	35.7	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	132.3	-178.5	-175.1	0	0	0	0	111.6	I114 A130 I139 A158 K159	I114-C137 WeakPolarHBondContact O-CA 3.42Å; A130-C137 HydrophobicContact CB-CB 3.81Å; C137-I139 VanDerWaalsContact SG-CD1 3.51Å; C137-A158 HydrophobicContact CB-CB 3.7Å; C137-A158 WeakPolarHBondContact O-CA 3.41Å; C137-K159 PolarHBondContact O-N 2.81Å
138	I	97.9	Very high	94.8	Very high	19 Å²	19	37 Å²	37	10%	0.097	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.4	173.4	-54.8	177.3	0	0	0	108.2	T113 I114 I115 E116 K159 I161 L186	T113-I138 HydrophobicContact CG2-CD1 3.8Å; T113-I138 HydrophobicContact CG2-CG1 3.89Å; I114-I138 PolarHBondContact O-N 3.02Å; I115-I138 VanDerWaalsContact CA-O 3.31Å; I115-I138 WeakPolarHBondContact CA-O 3.42Å; I115-I138 HydrophobicContact CG1-CB 4.24Å; I115-I138 HydrophobicContact CG1-CD1 4.43Å; E116-I138 PolarHBondContact N-O 3.4Å; E116-I138 VanDerWaalsContact N-O 3.1Å; I138-K159 WeakPolarHBondContact CA-O 3.45Å; I138-K159 HydrophobicContact CG1-CB 4.33Å; I138-I161 HydrophobicContact CG2-CD1 3.8Å; I138-I161 HydrophobicContact CG2-CG1 4.29Å; I138-L186 HydrophobicContact CD1-CD1 3.78Å
139	I	98	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127.3	176.5	-56.7	-52.1	0	0	0	109.8	E116 T118 G123 C137 M141 I153 A158 K159 I160 I161	E116-I139 HydrophobicContact CB-CD1 4.28Å; T118-I139 HydrophobicContact CG2-CG2 3.46Å; T118-I139 VanDerWaalsContact CG2-CG2 3.46Å; G123-I139 VanDerWaalsContact CA-CD1 3.48Å; C137-I139 VanDerWaalsContact SG-CD1 3.51Å; I139-M141 HydrophobicContact CG2-CE 3.69Å; I139-I153 HydrophobicContact CB-CG2 4.14Å; I139-I153 HydrophobicContact CG1-CD1 4.46Å; I139-I153 HydrophobicContact CG1-CG2 3.76Å; I139-I153 HydrophobicContact CG2-CD1 4.15Å; I139-A158 HydrophobicContact CG1-CB 4.41Å; I139-K159 PolarHBondContact N-O 3.42Å; I139-I160 WeakPolarHBondContact O-CA 3.24Å; I139-I161 PolarHBondContact O-N 2.69Å
140	V	96.2	Very high	94.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.5	174.5	-168.4	0	0	0	0	108.6	I115 E116 P117 T118 I161 T163 H175 T178 A179 L182	I115-V140 HydrophobicContact CG2-CG2 4.24Å; E116-V140 PolarHBondContact O-N 2.78Å; P117-V140 WeakPolarHBondContact CA-O 3.33Å; T118-V140 PolarHBondContact N-O 3Å; V140-I161 WeakPolarHBondContact CA-O 3.27Å; V140-I161 HydrophobicContact CG1-CB 4.49Å; V140-I161 HydrophobicContact CG1-CG2 4.38Å; V140-I161 HydrophobicContact CG2-CB 4.41Å; V140-T163 HydrophobicContact CG1-CG2 3.77Å; V140-H175 HydrophobicContact CG1-CB 3.98Å; V140-H175 WeakPolarHBondContact CG1-O 3.35Å; V140-T178 HydrophobicContact CG1-CG2 3.78Å; V140-A179 HydrophobicContact CB-CB 4.18Å; V140-A179 HydrophobicContact CG2-CB 3.88Å; V140-L182 HydrophobicContact CG2-CD1 3.92Å
141	M	92.6	Very high	94.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149.5	-175	58.7	171.1	48.1	0	0	113.4	T118 I139 M145 I153 I160 I161 R162 T163	T118-M141 VanDerWaalsContact O-CB 3.25Å; T118-M141 WeakPolarHBondContact O-CB 3.45Å; I139-M141 HydrophobicContact CG2-CE 3.69Å; M141-M145 HydrophobicContact CB-CG 4.37Å; M141-M145 HydrophobicContact SD-CB 4.17Å; M141-I153 HydrophobicContact CE-CD1 3.22Å; M141-I153 HydrophobicContact SD-CD1 4.44Å; M141-I160 HydrophobicContact CG-CG2 4.02Å; M141-I160 HydrophobicContact SD-CG2 4.19Å; M141-I161 PolarHBondContact N-O 2.85Å; M141-R162 VanDerWaalsContact O-CA 3.3Å; M141-R162 WeakPolarHBondContact O-CA 3.5Å; M141-R162 VanDerWaalsContact SD-CZ 3.51Å; M141-R162 PolarHBondContact SD-NH1 3.37Å; M141-T163 PolarHBondContact O-N 2.88Å; M141-T163 VanDerWaalsContact O-N 3.12Å
142	P	89.9	Confident	94.2	Very high	10 Å²	10	38.8 Å²	38.8	7%	0.065	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	157.3	174	-24.4	34.8	0	0	0	113.6	K144 M145 R162 T163 H175	P142-K144 HydrophobicContact CB-CG 4.34Å; P142-K144 PolarHBondContact O-N 3.17Å; P142-M145 HydrophobicContact CB-CE 4.27Å; P142-M145 HydrophobicContact CB-CG 4.36Å; P142-M145 HydrophobicContact CG-CE 4.05Å; P142-M145 PolarHBondContact O-N 3.42Å; P142-R162 PolarHBondContact O-NH1 2.67Å; P142-T163 CarbonylContact C-O 3.3Å; P142-T163 WeakPolarHBondContact CA-O 3.36Å; P142-H175 HydrophobicContact CG-CB 4.47Å
143	E	89.3	Confident	94.1	Very high	125 Å²	125	35 Å²	35	58%	0.584	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-34.5	175.9	-74.8	171.9	174.2	0	0	113.7	M145 R162 T163	E143-M145 PolarHBondContact O-N 3.33Å; E143-M145 VanDerWaalsContact O-N 3.11Å; E143-R162 HydrophobicContact CG-CB 4.1Å; E143-T163 WeakPolarHBondContact CG-O 3.38Å; E143-T163 PolarHBondContact N-O 2.88Å
144	K	86	Confident	94.1	Very high	78 Å²	78	38.2 Å²	38.2	34%	0.339	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.1	179.7	71.3	167.7	177.3	178.6	0	115.3	P142 T165 F270 K353	P142-K144 HydrophobicContact CB-CG 4.34Å; P142-K144 PolarHBondContact O-N 3.17Å; K144-T165 HydrophobicContact CB-CG2 3.8Å; K144-T165 HydrophobicContact CD-CG2 3.55Å; K144-T165 HydrophobicContact CG-CG2 3.63Å; K144-T165 PolarHBondContact N-OG1 3.31Å; K144-F270 PolarHBondContact NZ-O 3.37Å; K144-K353 PolarHBondContact O-NZ 3.05Å; K144-K353 VanDerWaalsContact O-NZ 3.13Å
145	M	86.1	Confident	94.1	Very high	14 Å²	14	40.1 Å²	40.1	7%	0.069	22%	0.224	C	C	.	.	S	Bend	trans	-68.6	135.7	-178	-59.8	-59.1	150.1	0	0	110.4	M141 P142 E143 R162 E273	M141-M145 HydrophobicContact CB-CG 4.37Å; M141-M145 HydrophobicContact SD-CB 4.17Å; P142-M145 HydrophobicContact CB-CE 4.27Å; P142-M145 HydrophobicContact CB-CG 4.36Å; P142-M145 HydrophobicContact CG-CE 4.05Å; P142-M145 PolarHBondContact O-N 3.42Å; E143-M145 PolarHBondContact O-N 3.33Å; E143-M145 VanDerWaalsContact O-N 3.11Å; M145-R162 PolarHBondContact O-NH1 2.73Å; M145-E273 HydrophobicContact SD-CG 4.42Å
146	S	87.4	Confident	94.1	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.021	23%	0.232	C	C	.	.			trans	-55.3	152.4	-165.7	77	0	0	0	0	115.1	E148 K149 A150 N349	S146-E148 VanDerWaalsContact CB-OE2 3.29Å; S146-E148 WeakPolarHBondContact CB-OE2 3.5Å; S146-E148 PolarHBondContact O-N 3.39Å; S146-K149 PolarHBondContact O-N 3.45Å; S146-K149 WeakPolarHBondContact OG-CG 2.99Å; S146-K149 PolarHBondContact OG-N 2.93Å; S146-A150 PolarHBondContact O-N 2.92Å; S146-N349 VanDerWaalsContact CB-O 3.24Å; S146-N349 WeakPolarHBondContact CB-O 3.19Å; S146-N349 PolarHBondContact OG-O 2.77Å
147	A	91.5	Very high	94.1	Very high	72 Å²	72	38.8 Å²	38.8	60%	0.595	24%	0.239	S	C	*	.	H	α-helix	trans	-65.4	-33.1	177.7	0	0	0	0	0	111.1	A150 A151	A147-A150 VanDerWaalsContact O-CB 3.31Å; A147-A150 WeakPolarHBondContact O-CB 3.45Å; A147-A150 PolarHBondContact O-N 3.24Å; A147-A151 PolarHBondContact O-N 2.72Å
148	E	95.1	Very high	94.1	Very high	29 Å²	29	38.7 Å²	38.7	14%	0.136	24%	0.239	C	C	.	.	H	α-helix	trans	-61.1	-44.9	176.9	-61.2	94.3	137.9	0	0	111.4	S146 A150 A151 L152 R348 M351 T352	S146-E148 VanDerWaalsContact CB-OE2 3.29Å; S146-E148 WeakPolarHBondContact CB-OE2 3.5Å; S146-E148 PolarHBondContact O-N 3.39Å; E148-A150 VanDerWaalsContact C-N 3.3Å; E148-A150 PolarHBondContact O-N 2.83Å; E148-A151 PolarHBondContact O-N 3.03Å; E148-L152 PolarHBondContact O-N 3Å; E148-R348 WeakPolarHBondContact CB-O 3.5Å; E148-M351 HydrophobicContact CG-CB 4.33Å; E148-M351 WeakPolarHBondContact OE1-CA 3.37Å; E148-M351 WeakPolarHBondContact OE1-CB 3.47Å; E148-M351 PolarHBondContact OE1-N 3.07Å; E148-T352 PolarHBondContact OE1-N 3.02Å; E148-T352 PolarHBondContact OE1-OG1 3.49Å
149	K	93.9	Very high	94	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.5	-43.6	174	-75.3	168.9	168.3	-177	0	111.1	S119 I124 S146 L152 I153 E273 N349	S119-K149 PolarHBondContact O-NZ 2.8Å; I124-K149 HydrophobicContact CD1-CB 4.32Å; I124-K149 HydrophobicContact CD1-CG 4.03Å; S146-K149 PolarHBondContact O-N 3.45Å; S146-K149 WeakPolarHBondContact OG-CG 2.99Å; S146-K149 PolarHBondContact OG-N 2.93Å; K149-L152 PolarHBondContact O-N 3.13Å; K149-I153 WeakPolarHBondContact O-CD1 3.27Å; K149-I153 VanDerWaalsContact O-CG1 3.27Å; K149-I153 WeakPolarHBondContact O-CG1 3.15Å; K149-I153 PolarHBondContact O-N 3.3Å; K149-E273 WeakPolarHBondContact CE-OE2 3.34Å; K149-E273 IonicContact NZ-OE2 3.54Å; K149-E273 PolarHBondContact NZ-OE2 3.42Å; K149-N349 HydrophobicContact CG-CB 4.17Å
150	A	94.2	Very high	94	Very high	9 Å²	9	46.8 Å²	46.8	7%	0.074	28%	0.275	C	S	.	.	H	α-helix	trans	-63.2	-44.1	178.8	0	0	0	0	0	112.6	S146 A147 E148 L152 I153 K154 I160	S146-A150 PolarHBondContact O-N 2.92Å; A147-A150 VanDerWaalsContact O-CB 3.31Å; A147-A150 WeakPolarHBondContact O-CB 3.45Å; A147-A150 PolarHBondContact O-N 3.24Å; E148-A150 VanDerWaalsContact C-N 3.3Å; E148-A150 PolarHBondContact O-N 2.83Å; A150-L152 VanDerWaalsContact C-N 3.31Å; A150-L152 PolarHBondContact O-N 2.6Å; A150-I153 PolarHBondContact O-N 3.36Å; A150-K154 WeakPolarHBondContact O-CG 3.23Å; A150-K154 PolarHBondContact O-N 3.12Å; A150-I160 HydrophobicContact CB-CD1 3.91Å; A150-I160 VanDerWaalsContact O-CD1 3.3Å; A150-I160 WeakPolarHBondContact O-CD1 3.48Å
151	A	96.1	Very high	94	Very high	58 Å²	58	49.5 Å²	49.5	48%	0.479	29%	0.289	S	S	.	.	H	α-helix	trans	-60.5	-44.3	178.9	0	0	0	0	0	110.6	A147 E148 K154 A155	A147-A151 PolarHBondContact O-N 2.72Å; E148-A151 PolarHBondContact O-N 3.03Å; A151-K154 PolarHBondContact O-N 3.48Å; A151-A155 WeakPolarHBondContact O-CB 3.46Å; A151-A155 PolarHBondContact O-N 2.78Å
152	L	95.7	Very high	94.1	Very high	49 Å²	49	53.6 Å²	53.6	26%	0.257	30%	0.304	S	S	.	.	H	α-helix	trans	-64.6	-46.5	178.6	-129	83	0	0	0	112.8	I124 E148 K149 A150 K154 A155 L156 R348	I124-L152 HydrophobicContact CD1-CB 4.42Å; I124-L152 HydrophobicContact CD1-CD2 4.13Å; I124-L152 HydrophobicContact CG1-CB 4.39Å; I124-L152 HydrophobicContact CG1-CD2 4.38Å; I124-L152 HydrophobicContact CG2-CD2 3.79Å; E148-L152 PolarHBondContact O-N 3Å; K149-L152 PolarHBondContact O-N 3.13Å; A150-L152 VanDerWaalsContact C-N 3.31Å; A150-L152 PolarHBondContact O-N 2.6Å; L152-K154 VanDerWaalsContact C-N 3.31Å; L152-K154 PolarHBondContact O-N 3.14Å; L152-A155 PolarHBondContact O-N 3.24Å; L152-L156 VanDerWaalsContact O-CG 3.32Å; L152-L156 WeakPolarHBondContact O-CG 3.35Å; L152-L156 PolarHBondContact O-N 2.71Å; L152-R348 VanDerWaalsContact CD2-NH2 3.33Å
153	I	97.2	Very high	94.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.2	-42.2	179.3	-69.7	166.8	0	0	0	110.7	I124 I139 M141 K149 A150 L156 A158 I160	I124-I153 HydrophobicContact CB-CG1 4.44Å; I124-I153 HydrophobicContact CG1-CD1 4.08Å; I124-I153 HydrophobicContact CG1-CG1 3.62Å; I139-I153 HydrophobicContact CB-CG2 4.14Å; I139-I153 HydrophobicContact CG1-CD1 4.46Å; I139-I153 HydrophobicContact CG1-CG2 3.76Å; I139-I153 HydrophobicContact CG2-CD1 4.15Å; M141-I153 HydrophobicContact CE-CD1 3.22Å; M141-I153 HydrophobicContact SD-CD1 4.44Å; K149-I153 WeakPolarHBondContact O-CD1 3.27Å; K149-I153 VanDerWaalsContact O-CG1 3.27Å; K149-I153 WeakPolarHBondContact O-CG1 3.15Å; K149-I153 PolarHBondContact O-N 3.3Å; A150-I153 PolarHBondContact O-N 3.36Å; I153-L156 PolarHBondContact O-N 3.41Å; I153-A158 HydrophobicContact CG2-CB 3.61Å; I153-A158 WeakPolarHBondContact O-CB 3.18Å; I153-A158 PolarHBondContact O-N 3.49Å; I153-A158 VanDerWaalsContact O-N 3.15Å; I153-I160 HydrophobicContact CB-CD1 3.84Å; I153-I160 HydrophobicContact CB-CG1 4.25Å; I153-I160 HydrophobicContact CG2-CD1 3.75Å; I153-I160 HydrophobicContact CG2-CG1 3.58Å
154	K	97	Very high	94.4	Very high	141 Å²	141	49.6 Å²	49.6	61%	0.613	29%	0.289	S	S	*	.	H	α-helix	trans	-64.6	-42.1	174.6	-71.4	179.6	-175.3	-176.9	0	112.2	A150 A151 L152 L156 G157 I160	A150-K154 WeakPolarHBondContact O-CG 3.23Å; A150-K154 PolarHBondContact O-N 3.12Å; A151-K154 PolarHBondContact O-N 3.48Å; L152-K154 VanDerWaalsContact C-N 3.31Å; L152-K154 PolarHBondContact O-N 3.14Å; K154-L156 PolarHBondContact O-N 3.16Å; K154-G157 PolarHBondContact O-N 3.07Å; K154-I160 HydrophobicContact CD-CD1 4.47Å; K154-I160 HydrophobicContact CG-CD1 3.77Å; K154-I160 HydrophobicContact CG-CG1 4.28Å
155	A	97.8	Very high	94.4	Very high	88 Å²	88	48.9 Å²	48.9	73%	0.727	29%	0.292	S	S	*	.	H	α-helix	trans	-63.2	-30.2	177.8	0	0	0	0	0	112.5	A151 L152 G157	A151-A155 WeakPolarHBondContact O-CB 3.46Å; A151-A155 PolarHBondContact O-N 2.78Å; L152-A155 PolarHBondContact O-N 3.24Å; A155-G157 PolarHBondContact O-N 2.87Å
156	L	97.9	Very high	94.5	Very high	45 Å²	45	55.2 Å²	55.2	24%	0.236	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	5.6	172.5	-66.3	167.3	0	0	0	113.4	I124 A127 L128 L152 I153 K154 A158	I124-L156 HydrophobicContact CG2-CD1 4.11Å; I124-L156 WeakPolarHBondContact O-CD1 3.4Å; A127-L156 HydrophobicContact CB-CB 3.78Å; A127-L156 HydrophobicContact CB-CD1 3.97Å; L128-L156 HydrophobicContact CB-CD1 4.16Å; L128-L156 HydrophobicContact CB-CD2 4.3Å; L128-L156 HydrophobicContact CD1-CD2 4.02Å; L152-L156 VanDerWaalsContact O-CG 3.32Å; L152-L156 WeakPolarHBondContact O-CG 3.35Å; L152-L156 PolarHBondContact O-N 2.71Å; I153-L156 PolarHBondContact O-N 3.41Å; K154-L156 PolarHBondContact O-N 3.16Å; L156-A158 PolarHBondContact O-N 2.8Å
157	G	97.7	Very high	94.6	Very high	65 Å²	65	56 Å²	56	67%	0.67	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	5.9	175.3	0	0	0	0	0	115.2	K154 A155	K154-G157 PolarHBondContact O-N 3.07Å; A155-G157 PolarHBondContact O-N 2.87Å
158	A	98	Very high	94.3	Very high	7 Å²	7	59.8 Å²	59.8	6%	0.058	34%	0.335	C	S	.	.			trans	-84.2	146.1	179.1	0	0	0	0	0	112.2	A127 C137 I139 I153 L156	A127-A158 HydrophobicContact CB-CB 3.7Å; C137-A158 HydrophobicContact CB-CB 3.7Å; C137-A158 WeakPolarHBondContact O-CA 3.41Å; I139-A158 HydrophobicContact CG1-CB 4.41Å; I153-A158 HydrophobicContact CG2-CB 3.61Å; I153-A158 WeakPolarHBondContact O-CB 3.18Å; I153-A158 PolarHBondContact O-N 3.49Å; I153-A158 VanDerWaalsContact O-N 3.15Å; L156-A158 PolarHBondContact O-N 2.8Å
159	K	97.4	Very high	93.8	Very high	154 Å²	154	58.9 Å²	58.9	67%	0.67	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	146.8	169.9	-65.1	-175.3	179.6	-179.4	0	109.8	C137 I138 I139	C137-K159 PolarHBondContact O-N 2.81Å; I138-K159 WeakPolarHBondContact CA-O 3.45Å; I138-K159 HydrophobicContact CG1-CB 4.33Å; I139-K159 PolarHBondContact N-O 3.42Å
160	I	96.7	Very high	93.4	Very high	35 Å²	35	62.9 Å²	62.9	18%	0.179	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.7	177	-57.9	-178.6	0	0	0	109.4	I139 M141 A150 I153 K154 R162	I139-I160 WeakPolarHBondContact O-CA 3.24Å; M141-I160 HydrophobicContact CG-CG2 4.02Å; M141-I160 HydrophobicContact SD-CG2 4.19Å; A150-I160 HydrophobicContact CB-CD1 3.91Å; A150-I160 VanDerWaalsContact O-CD1 3.3Å; A150-I160 WeakPolarHBondContact O-CD1 3.48Å; I153-I160 HydrophobicContact CB-CD1 3.84Å; I153-I160 HydrophobicContact CB-CG1 4.25Å; I153-I160 HydrophobicContact CG2-CD1 3.75Å; I153-I160 HydrophobicContact CG2-CG1 3.58Å; K154-I160 HydrophobicContact CD-CD1 4.47Å; K154-I160 HydrophobicContact CG-CD1 3.77Å; K154-I160 HydrophobicContact CG-CG1 4.28Å; I160-R162 HydrophobicContact CG2-CG 4.39Å
161	I	96.4	Very high	93.3	Very high	57 Å²	57	64 Å²	64	29%	0.292	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.1	168.4	-64	172.3	0	0	0	107.6	I138 I139 V140 M141 T178 L182	I138-I161 HydrophobicContact CG2-CD1 3.8Å; I138-I161 HydrophobicContact CG2-CG1 4.29Å; I139-I161 PolarHBondContact O-N 2.69Å; V140-I161 WeakPolarHBondContact CA-O 3.27Å; V140-I161 HydrophobicContact CG1-CB 4.49Å; V140-I161 HydrophobicContact CG1-CG2 4.38Å; V140-I161 HydrophobicContact CG2-CB 4.41Å; M141-I161 PolarHBondContact N-O 2.85Å; I161-T178 HydrophobicContact CG2-CG2 4.04Å; I161-L182 HydrophobicContact CD1-CD1 3.38Å; I161-L182 HydrophobicContact CD1-CD2 4.33Å; I161-L182 HydrophobicContact CD1-CG 4.49Å
162	R	94.4	Very high	93	Very high	86 Å²	86	66 Å²	66	33%	0.325	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	143.2	178	-63.9	-61.3	-171.7	154.1	5.9	110.4	M141 P142 E143 M145 I160	M141-R162 VanDerWaalsContact O-CA 3.3Å; M141-R162 WeakPolarHBondContact O-CA 3.5Å; M141-R162 VanDerWaalsContact SD-CZ 3.51Å; M141-R162 PolarHBondContact SD-NH1 3.37Å; P142-R162 PolarHBondContact O-NH1 2.67Å; E143-R162 HydrophobicContact CG-CB 4.1Å; M145-R162 PolarHBondContact O-NH1 2.73Å; I160-R162 HydrophobicContact CG2-CG 4.39Å
163	T	94.4	Very high	92.9	Very high	4 Å²	4	69.8 Å²	69.8	3%	0.025	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	155.6	175	63.9	0	0	0	0	110.9	V140 M141 P142 E143 E173 H175 T178	V140-T163 HydrophobicContact CG1-CG2 3.77Å; M141-T163 PolarHBondContact O-N 2.88Å; M141-T163 VanDerWaalsContact O-N 3.12Å; P142-T163 CarbonylContact C-O 3.3Å; P142-T163 WeakPolarHBondContact CA-O 3.36Å; E143-T163 WeakPolarHBondContact CG-O 3.38Å; E143-T163 PolarHBondContact N-O 2.88Å; T163-E173 WeakPolarHBondContact CB-O 3.13Å; T163-H175 HydrophobicContact CG2-CB 4.28Å; T163-H175 WeakPolarHBondContact OG1-CB 3.31Å; T163-H175 PolarHBondContact OG1-N 3.1Å; T163-T178 HydrophobicContact CG2-CG2 4.32Å
164	P	92.2	Very high	92.6	Very high	47 Å²	47	69.8 Å²	69.8	31%	0.305	39%	0.392	S	S	.	.			trans	-53	141.2	174.3	-25.1	34.6	0	0	0	111.8	D166 A167	P164-D166 WeakPolarHBondContact CB-OD1 3.29Å; P164-A167 HydrophobicContact CB-CB 4.22Å
165	T	86.2	Confident	92.2	Very high	64 Å²	64	64 Å²	64	39%	0.393	37%	0.367	S	S	.	.	S	Bend	trans	-76	-31.2	-176.8	-65.8	0	0	0	0	112.6	K144	K144-T165 HydrophobicContact CB-CG2 3.8Å; K144-T165 HydrophobicContact CD-CG2 3.55Å; K144-T165 HydrophobicContact CG-CG2 3.63Å; K144-T165 PolarHBondContact N-OG1 3.31Å
166	D	87.5	Confident	91.9	Very high	146 Å²	146	60 Å²	60	78%	0.781	33%	0.333	S	S	*	.	S	Bend	trans	-87.2	-6.2	-177.4	60.4	-26.1	0	0	0	113.6	P164 K168	P164-D166 WeakPolarHBondContact CB-OD1 3.29Å; D166-K168 PolarHBondContact O-N 2.81Å; D166-K168 VanDerWaalsContact O-N 3.13Å
167	A	88.5	Confident	91.6	Very high	20 Å²	20	58.6 Å²	58.6	17%	0.165	33%	0.33	C	S	.	.			trans	-63.7	113.1	172.5	0	0	0	0	0	110.6	P164	P164-A167 HydrophobicContact CB-CB 4.22Å
168	K	86.9	Confident	91.4	Very high	151 Å²	151	56.1 Å²	56.1	66%	0.657	30%	0.302	S	S	*	.			trans	-49.8	147	172.4	-69.7	-170.9	176.3	-171	0	111.2	D166 S170 S171 S174	D166-K168 PolarHBondContact O-N 2.81Å; D166-K168 VanDerWaalsContact O-N 3.13Å; K168-S170 PolarHBondContact O-N 3.18Å; K168-S171 VanDerWaalsContact O-CB 3.23Å; K168-S171 WeakPolarHBondContact O-CB 3.24Å; K168-S171 PolarHBondContact O-N 3.5Å; K168-S174 VanDerWaalsContact O-CB 3.27Å; K168-S174 WeakPolarHBondContact O-CB 3.04Å
169	S	83.5	Confident	91.2	Very high	11 Å²	11	55.8 Å²	55.8	8%	0.077	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-30.1	-179	-76.2	0	0	0	0	113.8	S174 D278 F279	S169-S174 PolarHBondContact O-OG 2.83Å; S169-S174 VanDerWaalsContact O-OG 3.09Å; S169-D278 VanDerWaalsContact CB-OD1 3.26Å; S169-D278 WeakPolarHBondContact CB-OD1 3.39Å; S169-D278 WeakPolarHBondContact CB-OD2 3.31Å; S169-D278 PolarHBondContact N-OD2 3.03Å; S169-D278 VanDerWaalsContact N-OD2 3.11Å; S169-D278 PolarHBondContact OG-OD1 3.36Å; S169-D278 PolarHBondContact OG-OD2 3.43Å; S169-F279 WeakPolarHBondContact OG-CD1 3.41Å; S169-F279 WeakPolarHBondContact OG-CE1 3.35Å
170	S	86.4	Confident	91	Very high	83 Å²	83	52.3 Å²	52.3	58%	0.58	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.1	176.7	58.6	0	0	0	0	115.7	K168	K168-S170 PolarHBondContact O-N 3.18Å
171	S	90.7	Very high	90.9	Very high	32 Å²	32	55.9 Å²	55.9	22%	0.224	30%	0.295	C	S	.	.	S	Bend	trans	-69.5	139.5	178.9	179.4	0	0	0	0	111.3	K168 E173 S174	K168-S171 VanDerWaalsContact O-CB 3.23Å; K168-S171 WeakPolarHBondContact O-CB 3.24Å; K168-S171 PolarHBondContact O-N 3.5Å; S171-E173 PolarHBondContact O-N 3.4Å; S171-E173 PolarHBondContact OG-N 2.77Å; S171-E173 VanDerWaalsContact OG-N 3.17Å; S171-S174 VanDerWaalsContact O-CB 3.28Å; S171-S174 WeakPolarHBondContact O-CB 3.47Å; S171-S174 PolarHBondContact O-N 3.41Å; S171-S174 PolarHBondContact O-OG 2.78Å
172	P	90.6	Very high	90.8	Very high	100 Å²	100	54.1 Å²	54.1	65%	0.649	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.5	168.3	-24.1	34.3	0	0	0	113.6	S174 G177 T178	P172-S174 VanDerWaalsContact C-N 3.32Å; P172-G177 CarbonylContact O-C 3.28Å; P172-G177 VanDerWaalsContact O-C 3.3Å; P172-T178 PolarHBondContact O-N 2.75Å; P172-T178 PolarHBondContact O-OG1 3.12Å
173	E	92.4	Very high	90.7	Very high	129 Å²	129	50.7 Å²	50.7	60%	0.603	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-10.7	179.3	-61.1	-178.6	169.5	0	0	112.9	T163 S171	T163-E173 WeakPolarHBondContact CB-O 3.13Å; S171-E173 PolarHBondContact O-N 3.4Å; S171-E173 PolarHBondContact OG-N 2.77Å; S171-E173 VanDerWaalsContact OG-N 3.17Å
174	S	91.6	Very high	90.6	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.007	30%	0.304	C	S	.	.	S	Bend	trans	-64	158.4	173.9	82.2	0	0	0	0	110.3	K168 S169 S171 P172 L176 G177 T178	K168-S174 VanDerWaalsContact O-CB 3.27Å; K168-S174 WeakPolarHBondContact O-CB 3.04Å; S169-S174 PolarHBondContact O-OG 2.83Å; S169-S174 VanDerWaalsContact O-OG 3.09Å; S171-S174 VanDerWaalsContact O-CB 3.28Å; S171-S174 WeakPolarHBondContact O-CB 3.47Å; S171-S174 PolarHBondContact O-N 3.41Å; S171-S174 PolarHBondContact O-OG 2.78Å; P172-S174 VanDerWaalsContact C-N 3.32Å; S174-L176 PolarHBondContact O-N 3.25Å; S174-L176 WeakPolarHBondContact OG-CB 3.21Å; S174-L176 PolarHBondContact OG-N 2.71Å; S174-G177 PolarHBondContact O-N 3.09Å; S174-G177 VanDerWaalsContact O-N 3.13Å; S174-G177 PolarHBondContact OG-N 3.47Å; S174-T178 WeakPolarHBondContact O-CB 3.47Å; S174-T178 PolarHBondContact O-N 2.91Å; S174-T178 PolarHBondContact O-OG1 3.49Å
175	H	89.3	Confident	90.7	Very high	19 Å²	19	59.6 Å²	59.6	9%	0.088	31%	0.314	C	S	.	.	H	α-helix	trans	-53.4	-34.7	172	62.9	-66	0	0	0	112.5	P117 V140 P142 T163 A179	P117-H175 WeakPolarHBondContact CB-O 3.42Å; V140-H175 HydrophobicContact CG1-CB 3.98Å; V140-H175 WeakPolarHBondContact CG1-O 3.35Å; P142-H175 HydrophobicContact CG-CB 4.47Å; T163-H175 HydrophobicContact CG2-CB 4.28Å; T163-H175 WeakPolarHBondContact OG1-CB 3.31Å; T163-H175 PolarHBondContact OG1-N 3.1Å; H175-A179 VanDerWaalsContact O-CB 3.29Å; H175-A179 WeakPolarHBondContact O-CB 3.36Å; H175-A179 PolarHBondContact O-N 3.32Å
176	L	90.1	Very high	91.1	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.016	31%	0.311	C	S	.	.	H	α-helix	trans	-66.3	-51.7	174.6	-60.7	176.3	0	0	0	111.7	L15 P117 S174 T178 A179 K180 Y195 F279	L15-L176 HydrophobicContact CB-CB 4.31Å; L15-L176 HydrophobicContact CB-CD1 4.29Å; L15-L176 HydrophobicContact CB-CD2 4.21Å; L15-L176 HydrophobicContact CD1-CB 3.58Å; L15-L176 HydrophobicContact CD1-CD2 3.87Å; L15-L176 HydrophobicContact CD1-CG 4.27Å; L15-L176 VanDerWaalsContact CD1-O 3.32Å; L15-L176 WeakPolarHBondContact CD1-O 3.34Å; L15-L176 HydrophobicContact CD2-CD2 4.13Å; L15-L176 HydrophobicContact CG-CD2 4.3Å; P117-L176 HydrophobicContact CB-CD2 3.9Å; P117-L176 HydrophobicContact CG-CD2 3.94Å; S174-L176 PolarHBondContact O-N 3.25Å; S174-L176 WeakPolarHBondContact OG-CB 3.21Å; S174-L176 PolarHBondContact OG-N 2.71Å; L176-T178 PolarHBondContact O-N 3.38Å; L176-A179 PolarHBondContact O-N 2.9Å; L176-K180 WeakPolarHBondContact O-CB 3.45Å; L176-K180 PolarHBondContact O-N 3.4Å; L176-Y195 HydrophobicContact CD2-CD2 4.04Å; L176-Y195 HydrophobicContact CD2-CE2 3.45Å; L176-Y195 VanDerWaalsContact CD2-CE2 3.45Å; L176-F279 HydrophobicContact CD1-CE1 3.9Å; L176-F279 HydrophobicContact CD1-CZ 4.08Å
177	G	92.3	Very high	91.2	Very high	17 Å²	17	58.8 Å²	58.8	18%	0.175	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-42.6	179.8	0	0	0	0	0	112.5	P172 S174 K180 R181	P172-G177 CarbonylContact O-C 3.28Å; P172-G177 VanDerWaalsContact O-C 3.3Å; S174-G177 PolarHBondContact O-N 3.09Å; S174-G177 VanDerWaalsContact O-N 3.13Å; S174-G177 PolarHBondContact OG-N 3.47Å; G177-K180 PolarHBondContact O-N 2.98Å; G177-R181 WeakPolarHBondContact O-CB 3.2Å; G177-R181 PolarHBondContact O-N 2.92Å
178	T	94.4	Very high	91.3	Very high	13 Å²	13	60.4 Å²	60.4	8%	0.08	32%	0.32	C	S	.	.	H	α-helix	trans	-65.6	-45.3	178.2	-66.2	0	0	0	0	111.8	V140 I161 T163 P172 S174 L176 K180 R181 L182	V140-T178 HydrophobicContact CG1-CG2 3.78Å; I161-T178 HydrophobicContact CG2-CG2 4.04Å; T163-T178 HydrophobicContact CG2-CG2 4.32Å; P172-T178 PolarHBondContact O-N 2.75Å; P172-T178 PolarHBondContact O-OG1 3.12Å; S174-T178 WeakPolarHBondContact O-CB 3.47Å; S174-T178 PolarHBondContact O-N 2.91Å; S174-T178 PolarHBondContact O-OG1 3.49Å; L176-T178 PolarHBondContact O-N 3.38Å; T178-K180 PolarHBondContact O-N 3.29Å; T178-R181 PolarHBondContact O-N 2.86Å; T178-L182 HydrophobicContact CG2-CD1 3.94Å; T178-L182 HydrophobicContact CG2-CG 4.49Å; T178-L182 VanDerWaalsContact O-CG 3.27Å; T178-L182 WeakPolarHBondContact O-CG 3.25Å; T178-L182 PolarHBondContact O-N 2.64Å
179	A	94.3	Very high	91.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-43	176.6	0	0	0	0	0	112.2	I115 P117 V140 H175 L176 R181 L182 A183 M191	I115-A179 HydrophobicContact CG2-CB 3.99Å; P117-A179 HydrophobicContact CB-CB 3.67Å; P117-A179 HydrophobicContact CG-CB 3.74Å; V140-A179 HydrophobicContact CB-CB 4.18Å; V140-A179 HydrophobicContact CG2-CB 3.88Å; H175-A179 VanDerWaalsContact O-CB 3.29Å; H175-A179 WeakPolarHBondContact O-CB 3.36Å; H175-A179 PolarHBondContact O-N 3.32Å; L176-A179 PolarHBondContact O-N 2.9Å; A179-R181 PolarHBondContact O-N 2.92Å; A179-L182 PolarHBondContact O-N 3.39Å; A179-A183 WeakPolarHBondContact O-CB 3.44Å; A179-A183 PolarHBondContact O-N 2.92Å; A179-M191 HydrophobicContact CB-SD 4.02Å
180	K	92.6	Very high	92.3	Very high	81 Å²	81	53.8 Å²	53.8	35%	0.352	29%	0.293	S	S	.	.	H	α-helix	trans	-58.3	-48.1	175.3	175.4	176	-178	-176.1	0	111.6	L13 L176 G177 T178 A183 Q184	L13-K180 HydrophobicContact CB-CD 4.42Å; L13-K180 HydrophobicContact CB-CG 4.19Å; L176-K180 WeakPolarHBondContact O-CB 3.45Å; L176-K180 PolarHBondContact O-N 3.4Å; G177-K180 PolarHBondContact O-N 2.98Å; T178-K180 PolarHBondContact O-N 3.29Å; K180-A183 PolarHBondContact O-N 3.29Å; K180-Q184 WeakPolarHBondContact O-CG 3.5Å; K180-Q184 PolarHBondContact O-N 3.11Å
181	R	93.6	Very high	92.7	Very high	109 Å²	109	50 Å²	50	41%	0.411	27%	0.267	S	S	.	.	H	α-helix	trans	-60.2	-47.4	178.7	-179.7	177.2	59.6	72.8	2.3	111.4	G177 T178 A179 A183 Q184 E185	G177-R181 WeakPolarHBondContact O-CB 3.2Å; G177-R181 PolarHBondContact O-N 2.92Å; T178-R181 PolarHBondContact O-N 2.86Å; A179-R181 PolarHBondContact O-N 2.92Å; R181-A183 VanDerWaalsContact C-N 3.31Å; R181-A183 PolarHBondContact O-N 3.25Å; R181-Q184 WeakPolarHBondContact O-CB 3.48Å; R181-Q184 PolarHBondContact O-N 3.41Å; R181-E185 VanDerWaalsContact CD-OE1 3.3Å; R181-E185 WeakPolarHBondContact CD-OE1 3.1Å; R181-E185 HydrophobicContact CG-CG 4.35Å; R181-E185 WeakPolarHBondContact CG-OE1 3.46Å; R181-E185 IonicContact CZ-OE1 2.91Å; R181-E185 VanDerWaalsContact NH1-CD 3.33Å; R181-E185 IonicContact NH1-OE1 3.73Å; R181-E185 PolarHBondContact NH1-OE1 3.43Å; R181-E185 IonicContact NH1-OE2 3.9Å; R181-E185 PolarHBondContact NH1-OE2 2.88Å; R181-E185 WeakPolarHBondContact O-CG 3.37Å; R181-E185 PolarHBondContact O-N 3.03Å
182	L	94.3	Very high	92.9	Very high	20 Å²	20	48.5 Å²	48.5	11%	0.105	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-38.2	178.1	-68.6	165.5	0	0	0	112.6	I115 V140 I161 T178 A179 Q184 E185 L186	I115-L182 HydrophobicContact CD1-CB 3.8Å; V140-L182 HydrophobicContact CG2-CD1 3.92Å; I161-L182 HydrophobicContact CD1-CD1 3.38Å; I161-L182 HydrophobicContact CD1-CD2 4.33Å; I161-L182 HydrophobicContact CD1-CG 4.49Å; T178-L182 HydrophobicContact CG2-CD1 3.94Å; T178-L182 HydrophobicContact CG2-CG 4.49Å; T178-L182 VanDerWaalsContact O-CG 3.27Å; T178-L182 WeakPolarHBondContact O-CG 3.25Å; T178-L182 PolarHBondContact O-N 2.64Å; A179-L182 PolarHBondContact O-N 3.39Å; L182-Q184 PolarHBondContact O-N 2.78Å; L182-E185 PolarHBondContact O-N 3.46Å; L182-L186 WeakPolarHBondContact O-CB 3.44Å; L182-L186 WeakPolarHBondContact O-CG 2.99Å; L182-L186 PolarHBondContact O-N 2.91Å
183	A	92.9	Very high	93.1	Very high	15 Å²	15	43.7 Å²	43.7	12%	0.124	23%	0.225	C	C	.	.	H	α-helix	trans	-67.1	-23.3	176.1	0	0	0	0	0	113.3	L13 I115 A179 K180 R181 M191	L13-A183 HydrophobicContact CD2-CB 4.14Å; I115-A183 HydrophobicContact CD1-CB 4.16Å; A179-A183 WeakPolarHBondContact O-CB 3.44Å; A179-A183 PolarHBondContact O-N 2.92Å; K180-A183 PolarHBondContact O-N 3.29Å; R181-A183 VanDerWaalsContact C-N 3.31Å; R181-A183 PolarHBondContact O-N 3.25Å; A183-M191 HydrophobicContact CB-CB 4.1Å
184	Q	92.4	Very high	93.2	Very high	127 Å²	127	37.6 Å²	37.6	59%	0.593	20%	0.196	S	C	*	.	H	α-helix	trans	-85.2	-32.8	173.8	-66.9	173.7	-44.6	0	0	112.3	L13 K180 R181 L182	L13-Q184 HydrophobicContact CD1-CG 3.79Å; K180-Q184 WeakPolarHBondContact O-CG 3.5Å; K180-Q184 PolarHBondContact O-N 3.11Å; R181-Q184 WeakPolarHBondContact O-CB 3.48Å; R181-Q184 PolarHBondContact O-N 3.41Å; L182-Q184 PolarHBondContact O-N 2.78Å
185	E	94.9	Very high	93.2	Very high	110 Å²	110	37.6 Å²	37.6	51%	0.514	20%	0.196	S	C	.	.	H	α-helix	trans	-80.8	-30.2	-178.5	-71.1	171.2	-174.5	0	0	113.2	R181 L182	R181-E185 VanDerWaalsContact CD-OE1 3.3Å; R181-E185 WeakPolarHBondContact CD-OE1 3.1Å; R181-E185 HydrophobicContact CG-CG 4.35Å; R181-E185 WeakPolarHBondContact CG-OE1 3.46Å; R181-E185 IonicContact CZ-OE1 2.91Å; R181-E185 VanDerWaalsContact NH1-CD 3.33Å; R181-E185 IonicContact NH1-OE1 3.73Å; R181-E185 PolarHBondContact NH1-OE1 3.43Å; R181-E185 IonicContact NH1-OE2 3.9Å; R181-E185 PolarHBondContact NH1-OE2 2.88Å; R181-E185 WeakPolarHBondContact O-CG 3.37Å; R181-E185 PolarHBondContact O-N 3.03Å; L182-E185 PolarHBondContact O-N 3.46Å
186	L	94.4	Very high	93.4	Very high	61 Å²	61	38.7 Å²	38.7	32%	0.319	20%	0.199	S	C	.	.			trans	-98.2	112.2	-176.6	-65.1	176.3	0	0	0	111.3	I115 I138 L182 D188 A189	I115-L186 HydrophobicContact CD1-CD1 4.08Å; I138-L186 HydrophobicContact CD1-CD1 3.78Å; L182-L186 WeakPolarHBondContact O-CB 3.44Å; L182-L186 WeakPolarHBondContact O-CG 2.99Å; L182-L186 PolarHBondContact O-N 2.91Å; L186-D188 VanDerWaalsContact C-N 3.32Å; L186-D188 PolarHBondContact O-N 3.02Å; L186-A189 HydrophobicContact CB-CB 3.56Å; L186-A189 HydrophobicContact CD1-CB 4.47Å; L186-A189 WeakPolarHBondContact O-CB 3.28Å; L186-A189 PolarHBondContact O-N 3.2Å; L186-A189 VanDerWaalsContact O-N 3.15Å
187	P	88.8	Confident	93.6	Very high	132 Å²	132	38.9 Å²	38.9	86%	0.857	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-21.8	-169.7	26.9	-35.4	0	0	0	114.8
188	D	92	Very high	93.7	Very high	55 Å²	55	40 Å²	40	29%	0.294	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	15.6	176.8	70.4	-26.3	0	0	0	112.6	M112 T113 K136 L186	M112-D188 WeakPolarHBondContact CB-O 3.46Å; M112-D188 WeakPolarHBondContact CE-O 3.39Å; T113-D188 PolarHBondContact N-O 3.43Å; K136-D188 IonicContact NZ-OD2 2.94Å; K136-D188 PolarHBondContact NZ-OD2 3.47Å; K136-D188 VanDerWaalsContact NZ-OD2 3.15Å; L186-D188 VanDerWaalsContact C-N 3.32Å; L186-D188 PolarHBondContact O-N 3.02Å
189	A	95.3	Very high	93.9	Very high	14 Å²	14	39.3 Å²	39.3	12%	0.116	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	143.2	-175.3	0	0	0	0	0	113.9	T113 I115 L186	T113-A189 HydrophobicContact CG2-CB 4.42Å; T113-A189 CarbonylContact O-C 3.51Å; T113-A189 WeakPolarHBondContact O-CA 3.39Å; I115-A189 HydrophobicContact CD1-CB 3.5Å; I115-A189 HydrophobicContact CG1-CB 4.06Å; L186-A189 HydrophobicContact CB-CB 3.56Å; L186-A189 HydrophobicContact CD1-CB 4.47Å; L186-A189 WeakPolarHBondContact O-CB 3.28Å; L186-A189 PolarHBondContact O-N 3.2Å; L186-A189 VanDerWaalsContact O-N 3.15Å
190	V	95.2	Very high	94	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.055	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	136.4	172.6	172.1	0	0	0	0	109.1	P10 Y107 L108 M112 T113 I114 I115 L192	P10-V190 HydrophobicContact CB-CG1 4.25Å; Y107-V190 HydrophobicContact CD2-CG1 3.82Å; Y107-V190 HydrophobicContact CD2-CG2 4.45Å; Y107-V190 HydrophobicContact CE2-CG1 3.9Å; L108-V190 HydrophobicContact CD1-CB 4.32Å; M112-V190 HydrophobicContact CE-CG2 3.59Å; T113-V190 PolarHBondContact O-N 3.32Å; I114-V190 WeakPolarHBondContact CA-O 3.45Å; I115-V190 PolarHBondContact N-O 2.92Å; V190-L192 HydrophobicContact CG1-CD2 4.48Å
191	M	94.8	Very high	94.3	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.4	166.6	-172.2	173.2	74.7	0	0	109.7	L13 L15 I115 P117 A179 A183 N193	L13-M191 HydrophobicContact CB-CE 4.31Å; L13-M191 HydrophobicContact CD2-CB 3.97Å; L13-M191 HydrophobicContact CD2-CE 3.57Å; L15-M191 HydrophobicContact CD1-CE 3.89Å; L15-M191 HydrophobicContact CD1-SD 4.18Å; L15-M191 HydrophobicContact CD2-CE 3.91Å; L15-M191 HydrophobicContact CG-CE 3.99Å; I115-M191 VanDerWaalsContact O-CA 3.29Å; I115-M191 WeakPolarHBondContact O-CA 3.45Å; P117-M191 HydrophobicContact CG-SD 4.07Å; A179-M191 HydrophobicContact CB-SD 4.02Å; A183-M191 HydrophobicContact CB-CB 4.1Å; M191-N193 HydrophobicContact CE-CB 4.08Å; M191-N193 HydrophobicContact CG-CB 4.32Å
192	L	95.2	Very high	94.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.			trans	-72.9	-33	-179.4	-67.4	178.3	0	0	0	111.7	P11 M98 I99 Y107 I114 E116 I126 V190 N197	P11-L192 WeakPolarHBondContact CG-O 3.4Å; M98-L192 HydrophobicContact CB-CB 4.28Å; M98-L192 HydrophobicContact CB-CD1 4.05Å; M98-L192 HydrophobicContact CB-CD2 4.4Å; M98-L192 HydrophobicContact CB-CG 4.48Å; M98-L192 HydrophobicContact CE-CB 3.98Å; M98-L192 HydrophobicContact CE-CD1 4.2Å; M98-L192 HydrophobicContact SD-CB 4.19Å; I99-L192 HydrophobicContact CD1-CD1 4.42Å; I99-L192 HydrophobicContact CG1-CD1 3.66Å; Y107-L192 HydrophobicContact CE2-CD2 4.27Å; I114-L192 HydrophobicContact CG2-CD1 3.76Å; I114-L192 HydrophobicContact CG2-CG 3.85Å; E116-L192 PolarHBondContact OE2-N 3.46Å; I126-L192 HydrophobicContact CD1-CD1 3.97Å; I126-L192 HydrophobicContact CG1-CD1 4.22Å; V190-L192 HydrophobicContact CG1-CD2 4.48Å; L192-N197 VanDerWaalsContact O-CB 3.27Å; L192-N197 WeakPolarHBondContact O-CB 3.38Å; L192-N197 PolarHBondContact O-ND2 2.98Å
193	N	93.7	Very high	94.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.			trans	60.7	74.7	172.1	-171.5	-7.7	0	0	0	113.6	P11 P12 S14 L15 E116 M191 Y195 R196 N197	P11-N193 HydrophobicContact CB-CB 4.3Å; P12-N193 PolarHBondContact O-ND2 2.74Å; S14-N193 PolarHBondContact O-ND2 3.18Å; S14-N193 VanDerWaalsContact O-ND2 3.1Å; L15-N193 HydrophobicContact CD2-CB 4.42Å; L15-N193 WeakPolarHBondContact CD2-ND2 2.85Å; L15-N193 WeakPolarHBondContact CD2-OD1 3.37Å; E116-N193 PolarHBondContact OE2-N 3.27Å; M191-N193 HydrophobicContact CE-CB 4.08Å; M191-N193 HydrophobicContact CG-CB 4.32Å; N193-Y195 PolarHBondContact O-N 3.35Å; N193-Y195 PolarHBondContact OD1-N 3.41Å; N193-R196 PolarHBondContact O-N 3.42Å; N193-R196 VanDerWaalsContact O-N 3.1Å; N193-R196 PolarHBondContact OD1-N 3.15Å; N193-N197 WeakPolarHBondContact O-CB 3.43Å; N193-N197 PolarHBondContact O-N 2.66Å
194	Q	94.5	Very high	94.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-18.2	176.7	67	-179.1	-46.2	0	0	115.1	M98 E116 P117 T118 T122 N200 T229	M98-Q194 HydrophobicContact CE-CB 4.3Å; M98-Q194 HydrophobicContact SD-CB 4.21Å; E116-Q194 WeakPolarHBondContact OE1-CB 3.45Å; E116-Q194 VanDerWaalsContact OE1-CG 3.31Å; E116-Q194 WeakPolarHBondContact OE1-CG 3.32Å; E116-Q194 PolarHBondContact OE1-N 2.84Å; P117-Q194 PolarHBondContact O-NE2 3.22Å; P117-Q194 VanDerWaalsContact O-NE2 3.13Å; T118-Q194 PolarHBondContact OG1-NE2 3.24Å; T122-Q194 HydrophobicContact CG2-CB 4.38Å; T122-Q194 PolarHBondContact OG1-OE1 2.88Å; Q194-N200 PolarHBondContact O-ND2 2.95Å; Q194-T229 HydrophobicContact CB-CG2 4.39Å; Q194-T229 HydrophobicContact CG-CG2 3.84Å
195	Y	93.1	Very high	95.2	Very high	1 Å²	1	25 Å²	25	0%	0.004	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-16.1	-177.5	-51.8	-80.6	0	0	0	113.4	L15 P117 L176 N193 T229 Y277 F279 P281 A282 V283	L15-Y195 HydrophobicContact CD2-CD2 3.69Å; L15-Y195 HydrophobicContact CD2-CE2 4.39Å; P117-Y195 HydrophobicContact CG-CE2 4.22Å; P117-Y195 PolarHBondContact O-OH 3.31Å; L176-Y195 HydrophobicContact CD2-CD2 4.04Å; L176-Y195 HydrophobicContact CD2-CE2 3.45Å; L176-Y195 VanDerWaalsContact CD2-CE2 3.45Å; N193-Y195 PolarHBondContact O-N 3.35Å; N193-Y195 PolarHBondContact OD1-N 3.41Å; Y195-T229 HydrophobicContact CD1-CG2 4.05Å; Y195-T229 HydrophobicContact CE1-CG2 4.05Å; Y195-Y277 HydrophobicContact CE1-CE1 4.04Å; Y195-Y277 HydrophobicContact CE1-CE2 4.03Å; Y195-Y277 AromaticContact CE1-CZ 3.65Å; Y195-Y277 PolarHBondContact OH-OH 3.5Å; Y195-F279 HydrophobicContact CD1-CE2 4.06Å; Y195-F279 AromaticContact CD1-CZ 3.83Å; Y195-F279 HydrophobicContact CD1-CZ 3.83Å; Y195-F279 AromaticContact CE1-CZ 3.94Å; Y195-F279 HydrophobicContact CE1-CZ 3.94Å; Y195-F279 HydrophobicContact CG-CZ 4.41Å; Y195-P281 HydrophobicContact CD1-CB 4.28Å; Y195-P281 HydrophobicContact CD1-CG 4.31Å; Y195-A282 PolarHBondContact O-N 3.27Å; Y195-A282 VanDerWaalsContact O-N 3.12Å; Y195-V283 PolarHBondContact O-N 3.21Å
196	R	93	Very high	95.3	Very high	41 Å²	41	20 Å²	20	16%	0.155	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.3	-25.3	178.9	-62.1	-168.9	69.2	84.7	-6.9	114.2	S14 D19 N193 C198 A282	S14-R196 WeakPolarHBondContact O-CD 3.47Å; D19-R196 PolarHBondContact O-NH1 3.34Å; D19-R196 PolarHBondContact O-NH2 3.04Å; D19-R196 IonicContact OD2-CZ 3.53Å; D19-R196 IonicContact OD2-NH2 3.71Å; D19-R196 PolarHBondContact OD2-NH2 2.98Å; N193-R196 PolarHBondContact O-N 3.42Å; N193-R196 VanDerWaalsContact O-N 3.1Å; N193-R196 PolarHBondContact OD1-N 3.15Å; R196-C198 PolarHBondContact O-N 3.45Å; R196-A282 HydrophobicContact CG-CB 4.1Å
197	N	94	Very high	95.5	Very high	7 Å²	7	19 Å²	19	4%	0.037	11%	0.109	C	C	.	.			trans	-66	124.4	-173.2	-167.9	-40.3	0	0	0	111.5	P11 M98 L192 N193 G199 N200 P201	P11-N197 WeakPolarHBondContact CG-ND2 3.5Å; M98-N197 HydrophobicContact CG-CB 4.15Å; M98-N197 HydrophobicContact SD-CB 3.79Å; L192-N197 VanDerWaalsContact O-CB 3.27Å; L192-N197 WeakPolarHBondContact O-CB 3.38Å; L192-N197 PolarHBondContact O-ND2 2.98Å; N193-N197 WeakPolarHBondContact O-CB 3.43Å; N193-N197 PolarHBondContact O-N 2.66Å; N197-G199 PolarHBondContact O-N 2.88Å; N197-G199 VanDerWaalsContact O-N 3.17Å; N197-G199 PolarHBondContact OD1-N 2.88Å; N197-N200 WeakPolarHBondContact O-CB 3.42Å; N197-N200 PolarHBondContact O-N 3.14Å; N197-P201 WeakPolarHBondContact O-CD 3.33Å
198	C	95.5	Very high	95.9	Very high	40 Å²	40	12.7 Å²	12.7	27%	0.27	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.1	-179.6	64.7	0	0	0	0	112.5	R196 N200 P201 L202	R196-C198 PolarHBondContact O-N 3.45Å; C198-N200 PolarHBondContact O-N 3.35Å; C198-N200 VanDerWaalsContact O-N 3.17Å; C198-P201 VanDerWaalsContact O-CD 3.26Å; C198-P201 WeakPolarHBondContact O-CD 3.38Å; C198-P201 WeakPolarHBondContact O-CG 3.11Å; C198-L202 HydrophobicContact CB-CD1 3.96Å; C198-L202 WeakPolarHBondContact O-CB 3.34Å; C198-L202 WeakPolarHBondContact O-CD1 3.16Å; C198-L202 WeakPolarHBondContact O-CG 3.22Å; C198-L202 PolarHBondContact O-N 2.89Å
199	G	96.9	Very high	96.2	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-56.3	-29.2	173.7	0	0	0	0	0	113.5	R97 I101 N197 S203	R97-G199 WeakPolarHBondContact CG-O 3.48Å; I101-G199 VanDerWaalsContact CD1-CA 3.43Å; N197-G199 PolarHBondContact O-N 2.88Å; N197-G199 VanDerWaalsContact O-N 3.17Å; N197-G199 PolarHBondContact OD1-N 2.88Å; G199-S203 WeakPolarHBondContact O-CB 3.48Å; G199-S203 PolarHBondContact O-N 3.49Å; G199-S203 PolarHBondContact O-OG 3.27Å
200	N	97.3	Very high	96.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.2	-69.2	175.9	-175.4	-3.5	0	0	0	111.8	V94 Q194 N197 C198 L202 S203 H204 T229 G231	V94-N200 HydrophobicContact CG1-CB 3.73Å; V94-N200 VanDerWaalsContact CG2-OD1 3.31Å; V94-N200 WeakPolarHBondContact CG2-OD1 3.37Å; Q194-N200 PolarHBondContact O-ND2 2.95Å; N197-N200 WeakPolarHBondContact O-CB 3.42Å; N197-N200 PolarHBondContact O-N 3.14Å; C198-N200 PolarHBondContact O-N 3.35Å; C198-N200 VanDerWaalsContact O-N 3.17Å; N200-L202 VanDerWaalsContact C-N 3.29Å; N200-L202 PolarHBondContact O-N 2.88Å; N200-S203 PolarHBondContact O-N 3.04Å; N200-S203 PolarHBondContact O-OG 2.83Å; N200-H204 PolarHBondContact O-CD2 2.9Å; N200-H204 VanDerWaalsContact O-CD2 3.31Å; N200-T229 PolarHBondContact ND2-OG1 3.49Å; N200-G231 WeakPolarHBondContact OD1-CA 3.22Å
201	P	98.2	Very high	96.5	Very high	17 Å²	17	11.5 Å²	11.5	11%	0.11	6%	0.059	C	C	.	.	H	α-helix	trans	-64.3	-31.4	177.9	26.3	-34.7	0	0	0	113.2	N197 C198 S203 H204 Y205 G231 T234 G235 V283	N197-P201 WeakPolarHBondContact O-CD 3.33Å; C198-P201 VanDerWaalsContact O-CD 3.26Å; C198-P201 WeakPolarHBondContact O-CD 3.38Å; C198-P201 WeakPolarHBondContact O-CG 3.11Å; P201-S203 PolarHBondContact O-N 3.46Å; P201-H204 PolarHBondContact O-N 2.9Å; P201-Y205 WeakPolarHBondContact O-CB 3.19Å; P201-Y205 PolarHBondContact O-N 3.49Å; P201-G231 WeakPolarHBondContact CA-O 3.33Å; P201-T234 HydrophobicContact CB-CG2 4.14Å; P201-G235 WeakPolarHBondContact O-CA 3.35Å; P201-V283 HydrophobicContact CG-CB 4.17Å; P201-V283 HydrophobicContact CG-CG1 4.31Å
202	L	97.8	Very high	96.6	Very high	16 Å²	16	11.4 Å²	11.4	8%	0.084	6%	0.058	C	C	.	.	H	α-helix	trans	-64.1	-37.4	178.7	-73.8	171	0	0	0	112.8	H36 C198 N200 H204 Y205 D206	H36-L202 HydrophobicContact CB-CD1 3.71Å; H36-L202 HydrophobicContact CB-CD2 4.13Å; C198-L202 HydrophobicContact CB-CD1 3.96Å; C198-L202 WeakPolarHBondContact O-CB 3.34Å; C198-L202 WeakPolarHBondContact O-CD1 3.16Å; C198-L202 WeakPolarHBondContact O-CG 3.22Å; C198-L202 PolarHBondContact O-N 2.89Å; N200-L202 VanDerWaalsContact C-N 3.29Å; N200-L202 PolarHBondContact O-N 2.88Å; L202-H204 PolarHBondContact O-N 3.16Å; L202-Y205 PolarHBondContact O-N 3.23Å; L202-D206 WeakPolarHBondContact O-CB 3.32Å; L202-D206 PolarHBondContact O-N 3.36Å
203	S	97.9	Very high	96.7	Very high	6 Å²	6	12.4 Å²	12.4	4%	0.042	6%	0.063	C	C	.	.	H	α-helix	trans	-57.5	-37.8	176.1	69.8	0	0	0	0	112	G199 N200 P201 Q207	G199-S203 WeakPolarHBondContact O-CB 3.48Å; G199-S203 PolarHBondContact O-N 3.49Å; G199-S203 PolarHBondContact O-OG 3.27Å; N200-S203 PolarHBondContact O-N 3.04Å; N200-S203 PolarHBondContact O-OG 2.83Å; P201-S203 PolarHBondContact O-N 3.46Å; S203-Q207 VanDerWaalsContact O-CB 3.24Å; S203-Q207 WeakPolarHBondContact O-CB 3.46Å; S203-Q207 PolarHBondContact O-N 2.95Å; S203-Q207 VanDerWaalsContact O-N 3.15Å
204	H	98.7	Very high	96.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.091	C	C	.	.	I	π-helix	trans	-81.2	-34.6	179.6	-62.4	-55.2	0	0	0	112.7	V90 V94 N200 P201 L202 T208 A209 G231 T232 V236	V90-H204 VanDerWaalsContact CG2-CE1 3.48Å; V90-H204 WeakPolarHBondContact CG2-CE1 3.29Å; V94-H204 WeakPolarHBondContact CG2-NE2 3.35Å; N200-H204 PolarHBondContact O-CD2 2.9Å; N200-H204 VanDerWaalsContact O-CD2 3.31Å; P201-H204 PolarHBondContact O-N 2.9Å; L202-H204 PolarHBondContact O-N 3.16Å; H204-T208 PolarHBondContact ND1-OG1 2.95Å; H204-T208 PolarHBondContact O-N 2.93Å; H204-A209 VanDerWaalsContact O-CB 3.29Å; H204-A209 WeakPolarHBondContact O-CB 3.41Å; H204-A209 PolarHBondContact O-N 3.37Å; H204-G231 VanDerWaalsContact CD2-C 3.46Å; H204-G231 PolarHBondContact CD2-O 3.28Å; H204-T232 WeakPolarHBondContact CD2-CA 3.35Å; H204-T232 PolarHBondContact CD2-N 3.33Å; H204-T232 VanDerWaalsContact CD2-N 3.34Å; H204-T232 PolarHBondContact CE1-OG1 2.54Å; H204-T232 PolarHBondContact NE2-OG1 3.13Å; H204-V236 HydrophobicContact CB-CG2 4.36Å
205	Y	98.2	Very high	97	Very high	12 Å²	12	22.6 Å²	22.6	5%	0.047	11%	0.105	C	C	.	.	I	π-helix	trans	-66.7	-46	174.3	178.2	-88.8	0	0	0	112.1	H38 P201 L202 G235 R238 K239 E242	H38-Y205 AromaticContact CE1-CD1 3.81Å; H38-Y205 AromaticContact CE1-CE1 3.6Å; H38-Y205 AromaticContact ND1-CD1 3.98Å; H38-Y205 AromaticContact ND1-CE1 3.9Å; P201-Y205 WeakPolarHBondContact O-CB 3.19Å; P201-Y205 PolarHBondContact O-N 3.49Å; L202-Y205 PolarHBondContact O-N 3.23Å; Y205-G235 VanDerWaalsContact CA-O 3.32Å; Y205-G235 WeakPolarHBondContact CA-O 3.3Å; Y205-G235 WeakPolarHBondContact CB-O 3.42Å; Y205-R238 HydrophobicContact CD2-CB 3.91Å; Y205-R238 HydrophobicContact CE2-CB 4.16Å; Y205-K239 HydrophobicContact CD2-CB 3.82Å; Y205-K239 HydrophobicContact CE2-CB 3.96Å; Y205-K239 HydrophobicContact CE2-CD 4.25Å; Y205-K239 VanDerWaalsContact CZ-CE 3.43Å; Y205-K239 VanDerWaalsContact CZ-NZ 3.31Å; Y205-K239 WeakPolarHBondContact O-CE 3.44Å; Y205-K239 PolarHBondContact OH-NZ 2.66Å; Y205-E242 WeakPolarHBondContact CE2-OE1 3Å; Y205-E242 VanDerWaalsContact OH-CD 3.28Å; Y205-E242 PolarHBondContact OH-OE1 3.24Å; Y205-E242 PolarHBondContact OH-OE2 2.91Å
206	D	97.7	Very high	97.3	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.021	11%	0.106	C	C	.	.	I	π-helix	trans	-83.2	-23.7	-174.4	-78	-26.7	0	0	0	113.7	R31 H38 H39 R97 L202 E210	R31-D206 IonicContact NH2-OD1 2.82Å; R31-D206 PolarHBondContact NH2-OD1 3.18Å; H38-D206 VanDerWaalsContact CA-OD2 3.28Å; H38-D206 WeakPolarHBondContact CA-OD2 3.29Å; H38-D206 IonicContact CE1-OD1 2.97Å; H38-D206 IonicContact CG-OD1 3.48Å; H38-D206 IonicContact CG-OD2 3.62Å; H38-D206 IonicContact ND1-OD1 2.71Å; H38-D206 PolarHBondContact ND1-OD1 2.89Å; H38-D206 IonicContact ND1-OD2 2.74Å; H38-D206 PolarHBondContact ND1-OD2 2.79Å; H39-D206 PolarHBondContact N-OD2 3.29Å; H39-D206 WeakPolarHBondContact O-CB 3.48Å; R97-D206 IonicContact NH2-OD2 3.74Å; L202-D206 WeakPolarHBondContact O-CB 3.32Å; L202-D206 PolarHBondContact O-N 3.36Å; D206-E210 WeakPolarHBondContact O-CG 3.32Å
207	Q	97.3	Very high	97.4	Very high	40 Å²	40	27.7 Å²	27.7	19%	0.187	13%	0.131	C	C	.	.	I	π-helix	trans	-123.8	-67.8	-173.9	-153.2	-168.3	15.5	0	0	112.3	W41 I56 S203 A209 E210 E211	W41-Q207 HydrophobicContact CB-CG 4.38Å; W41-Q207 HydrophobicContact CG-CG 4.25Å; I56-Q207 PolarHBondContact O-NE2 2.78Å; S203-Q207 VanDerWaalsContact O-CB 3.24Å; S203-Q207 WeakPolarHBondContact O-CB 3.46Å; S203-Q207 PolarHBondContact O-N 2.95Å; S203-Q207 VanDerWaalsContact O-N 3.15Å; Q207-A209 VanDerWaalsContact C-N 3.28Å; Q207-A209 PolarHBondContact O-N 3.23Å; Q207-E210 PolarHBondContact O-N 3.31Å; Q207-E210 VanDerWaalsContact O-N 3.14Å; Q207-E211 WeakPolarHBondContact CG-OE1 3.27Å; Q207-E211 WeakPolarHBondContact O-CG 3.49Å; Q207-E211 PolarHBondContact O-N 3.49Å
208	T	98.3	Very high	97.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.	I	π-helix	trans	-55.3	-43.4	-173.7	-49.6	0	0	0	0	112.2	R93 H204 I212 V236	R93-T208 VanDerWaalsContact CD-OG1 3.25Å; R93-T208 WeakPolarHBondContact CD-OG1 3.17Å; R93-T208 PolarHBondContact NE-OG1 3.15Å; H204-T208 PolarHBondContact ND1-OG1 2.95Å; H204-T208 PolarHBondContact O-N 2.93Å; T208-I212 HydrophobicContact CG2-CD1 4.1Å; T208-I212 WeakPolarHBondContact O-CD1 3.26Å; T208-I212 WeakPolarHBondContact O-CG1 3.41Å; T208-I212 PolarHBondContact O-N 3.4Å; T208-I212 VanDerWaalsContact O-N 3.09Å; T208-V236 HydrophobicContact CG2-CG2 4.14Å
209	A	98.3	Very high	97.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-69.5	-41.6	-179.8	0	0	0	0	0	113	H204 Q207 I212 L213 V236 K239 F240	H204-A209 VanDerWaalsContact O-CB 3.29Å; H204-A209 WeakPolarHBondContact O-CB 3.41Å; H204-A209 PolarHBondContact O-N 3.37Å; Q207-A209 VanDerWaalsContact C-N 3.28Å; Q207-A209 PolarHBondContact O-N 3.23Å; A209-I212 PolarHBondContact O-N 3.46Å; A209-L213 WeakPolarHBondContact O-CB 3.47Å; A209-L213 WeakPolarHBondContact O-CG 3.4Å; A209-L213 PolarHBondContact O-N 2.93Å; A209-V236 HydrophobicContact CB-CG2 4.3Å; A209-K239 HydrophobicContact CB-CB 3.52Å; A209-K239 HydrophobicContact CB-CG 3.59Å; A209-F240 HydrophobicContact CB-CD2 4.37Å; A209-F240 HydrophobicContact CB-CE2 4.22Å
210	E	97.5	Very high	97.5	Very high	53 Å²	53	34 Å²	34	25%	0.248	17%	0.165	C	C	.	.	H	α-helix	trans	-64.2	-41.2	176.5	-64.3	-71.2	174.7	0	0	110.8	W41 D206 Q207 I212 L213 Y214 K239	W41-E210 HydrophobicContact CB-CB 4.38Å; W41-E210 HydrophobicContact CE3-CB 4.15Å; D206-E210 WeakPolarHBondContact O-CG 3.32Å; Q207-E210 PolarHBondContact O-N 3.31Å; Q207-E210 VanDerWaalsContact O-N 3.14Å; E210-I212 PolarHBondContact O-N 3.2Å; E210-L213 PolarHBondContact O-N 3.06Å; E210-Y214 WeakPolarHBondContact O-CB 3.49Å; E210-Y214 PolarHBondContact O-N 3.39Å; E210-K239 WeakPolarHBondContact OE1-CE 3.24Å; E210-K239 IonicContact OE1-NZ 2.67Å; E210-K239 PolarHBondContact OE1-NZ 3.48Å
211	E	98	Very high	97.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-59.4	-46.4	173.8	-71.6	173.4	-155.2	0	0	111.4	W41 D58 T59 K80 R93 Q207 Y214 Q215	W41-E211 HydrophobicContact CD2-CG 4.04Å; W41-E211 HydrophobicContact CG-CG 4.43Å; W41-E211 HydrophobicContact CH2-CG 4.48Å; W41-E211 HydrophobicContact CZ2-CG 3.85Å; D58-E211 VanDerWaalsContact N-CD 3.3Å; D58-E211 PolarHBondContact N-OE1 3.37Å; D58-E211 PolarHBondContact N-OE2 3.49Å; T59-E211 PolarHBondContact N-OE2 3.27Å; K80-E211 WeakPolarHBondContact CE-OE2 3.36Å; K80-E211 IonicContact NZ-OE2 2.7Å; K80-E211 PolarHBondContact NZ-OE2 3.38Å; R93-E211 IonicContact CZ-OE1 2.76Å; R93-E211 IonicContact CZ-OE2 2.91Å; R93-E211 IonicContact NH1-OE1 2.69Å; R93-E211 PolarHBondContact NH1-OE1 3.47Å; R93-E211 IonicContact NH1-OE2 2.66Å; R93-E211 IonicContact NH2-OE1 2.7Å; R93-E211 PolarHBondContact NH2-OE1 2.98Å; R93-E211 IonicContact NH2-OE2 3.69Å; R93-E211 PolarHBondContact NH2-OE2 3.5Å; Q207-E211 WeakPolarHBondContact CG-OE1 3.27Å; Q207-E211 WeakPolarHBondContact O-CG 3.49Å; Q207-E211 PolarHBondContact O-N 3.49Å; E211-Y214 PolarHBondContact O-N 3.44Å; E211-Q215 VanDerWaalsContact O-CB 3.27Å; E211-Q215 WeakPolarHBondContact O-CB 3.48Å; E211-Q215 WeakPolarHBondContact O-CG 3.36Å; E211-Q215 PolarHBondContact O-N 3.48Å; E211-Q215 PolarHBondContact O-OE1 3.49Å
212	I	98.3	Very high	97.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65	-45	179.4	-66	167.3	0	0	0	110.6	M61 K80 T208 A209 E210 Y214 Q215 C216 L220 M223 F240 V340	M61-I212 HydrophobicContact CE-CB 4.39Å; M61-I212 HydrophobicContact CE-CG1 3.96Å; M61-I212 HydrophobicContact CE-CG2 4.17Å; K80-I212 HydrophobicContact CD-CG1 4.13Å; K80-I212 HydrophobicContact CG-CD1 4.25Å; K80-I212 HydrophobicContact CG-CG1 4.2Å; T208-I212 HydrophobicContact CG2-CD1 4.1Å; T208-I212 WeakPolarHBondContact O-CD1 3.26Å; T208-I212 WeakPolarHBondContact O-CG1 3.41Å; T208-I212 PolarHBondContact O-N 3.4Å; T208-I212 VanDerWaalsContact O-N 3.09Å; A209-I212 PolarHBondContact O-N 3.46Å; E210-I212 PolarHBondContact O-N 3.2Å; I212-Y214 VanDerWaalsContact C-N 3.31Å; I212-Y214 PolarHBondContact O-N 3.37Å; I212-Q215 PolarHBondContact O-N 3.05Å; I212-C216 VanDerWaalsContact O-CB 3.23Å; I212-C216 WeakPolarHBondContact O-CB 3.49Å; I212-C216 PolarHBondContact O-N 2.99Å; I212-C216 PolarHBondContact O-SG 2.75Å; I212-L220 HydrophobicContact CG2-CD2 4.34Å; I212-M223 HydrophobicContact CD1-CE 3.64Å; I212-M223 HydrophobicContact CD1-SD 4.41Å; I212-M223 HydrophobicContact CG2-CE 3.63Å; I212-F240 HydrophobicContact CB-CE2 4.39Å; I212-F240 HydrophobicContact CB-CZ 4.21Å; I212-F240 HydrophobicContact CG2-CE2 4.24Å; I212-F240 HydrophobicContact CG2-CZ 3.65Å; I212-V340 HydrophobicContact CG2-CG1 4.45Å; I212-V340 HydrophobicContact CG2-CG2 4.3Å
213	L	97.4	Very high	97.6	Very high	22 Å²	22	34.7 Å²	34.7	12%	0.115	17%	0.168	C	C	.	.	H	α-helix	trans	-58.1	-45.1	177	-76.1	169.6	0	0	0	111.2	A209 E210 E217 G218 K239 F240 K243 C244	A209-L213 WeakPolarHBondContact O-CB 3.47Å; A209-L213 WeakPolarHBondContact O-CG 3.4Å; A209-L213 PolarHBondContact O-N 2.93Å; E210-L213 PolarHBondContact O-N 3.06Å; L213-E217 PolarHBondContact O-N 2.98Å; L213-E217 VanDerWaalsContact O-N 3.11Å; L213-G218 PolarHBondContact O-N 3.15Å; L213-K239 HydrophobicContact CD1-CD 4.32Å; L213-K239 HydrophobicContact CD1-CG 3.81Å; L213-F240 HydrophobicContact CD2-CD1 4.45Å; L213-F240 HydrophobicContact CD2-CE1 3.83Å; L213-F240 HydrophobicContact CD2-CE2 4.22Å; L213-F240 HydrophobicContact CD2-CZ 3.71Å; L213-F240 HydrophobicContact CG-CE1 4.43Å; L213-F240 HydrophobicContact CG-CE2 3.96Å; L213-F240 HydrophobicContact CG-CZ 3.81Å; L213-K243 HydrophobicContact CD1-CB 4.12Å; L213-K243 HydrophobicContact CD1-CG 4.08Å; L213-K243 HydrophobicContact CD2-CB 4.41Å; L213-C244 VanDerWaalsContact CD2-SG 3.54Å
214	Y	97	Very high	97.7	Very high	149 Å²	149	34.4 Å²	34.4	58%	0.584	17%	0.166	S	C	*	.	H	α-helix	trans	-62.8	-52.2	176.1	175.7	-99.1	0	0	0	111.9	W41 V43 E210 E211 I212 C216 E217	W41-Y214 AromaticContact CH2-CD1 3.64Å; W41-Y214 HydrophobicContact CH2-CD1 3.64Å; W41-Y214 HydrophobicContact CH2-CD2 4.49Å; W41-Y214 HydrophobicContact CH2-CE1 4.24Å; W41-Y214 AromaticContact CH2-CG 3.78Å; W41-Y214 HydrophobicContact CH2-CG 3.78Å; W41-Y214 HydrophobicContact CZ3-CD1 4.18Å; W41-Y214 HydrophobicContact CZ3-CD2 4.35Å; W41-Y214 AromaticContact CZ3-CG 3.82Å; W41-Y214 HydrophobicContact CZ3-CG 3.82Å; V43-Y214 HydrophobicContact CG1-CE2 4.3Å; E210-Y214 WeakPolarHBondContact O-CB 3.49Å; E210-Y214 PolarHBondContact O-N 3.39Å; E211-Y214 PolarHBondContact O-N 3.44Å; I212-Y214 VanDerWaalsContact C-N 3.31Å; I212-Y214 PolarHBondContact O-N 3.37Å; Y214-C216 PolarHBondContact O-N 3.12Å; Y214-E217 PolarHBondContact O-N 2.94Å; Y214-E217 VanDerWaalsContact O-N 3.09Å
215	Q	97.7	Very high	97.7	Very high	65 Å²	65	34.5 Å²	34.5	30%	0.304	17%	0.166	S	C	.	.	H	α-helix	trans	-63	-28.8	-178.6	-72.5	171	-40	0	0	112.8	T59 M61 E211 I212	T59-Q215 PolarHBondContact O-NE2 3.46Å; M61-Q215 HydrophobicContact CB-CB 4.26Å; M61-Q215 HydrophobicContact CB-CG 4.42Å; M61-Q215 HydrophobicContact CE-CB 4.45Å; E211-Q215 VanDerWaalsContact O-CB 3.27Å; E211-Q215 WeakPolarHBondContact O-CB 3.48Å; E211-Q215 WeakPolarHBondContact O-CG 3.36Å; E211-Q215 PolarHBondContact O-N 3.48Å; E211-Q215 PolarHBondContact O-OE1 3.49Å; I212-Q215 PolarHBondContact O-N 3.05Å
216	C	97.9	Very high	97.7	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.02	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	0.2	178.5	-63.1	0	0	0	0	113.6	I212 Y214 G218 K219 R338	I212-C216 VanDerWaalsContact O-CB 3.23Å; I212-C216 WeakPolarHBondContact O-CB 3.49Å; I212-C216 PolarHBondContact O-N 2.99Å; I212-C216 PolarHBondContact O-SG 2.75Å; Y214-C216 PolarHBondContact O-N 3.12Å; C216-G218 PolarHBondContact O-N 3.08Å; C216-K219 WeakPolarHBondContact O-CB 3.5Å; C216-K219 PolarHBondContact O-N 3.15Å; C216-R338 VanDerWaalsContact CA-NH1 3.3Å; C216-R338 PolarHBondContact O-NH1 3.13Å
217	E	96.4	Very high	97.7	Very high	146 Å²	146	34.4 Å²	34.4	68%	0.682	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	34.6	-171.9	-54.7	175.3	179.1	0	0	113	L213 Y214 K219	L213-E217 PolarHBondContact O-N 2.98Å; L213-E217 VanDerWaalsContact O-N 3.11Å; Y214-E217 PolarHBondContact O-N 2.94Å; Y214-E217 VanDerWaalsContact O-N 3.09Å; E217-K219 PolarHBondContact O-N 3.15Å; E217-K219 IonicContact OE2-NZ 3.61Å; E217-K219 PolarHBondContact OE2-NZ 2.84Å
218	G	93.7	Very high	97.6	Very high	37 Å²	37	32.8 Å²	32.8	38%	0.381	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	3.5	-174.5	0	0	0	0	0	115.5	L213 C216	L213-G218 PolarHBondContact O-N 3.15Å; C216-G218 PolarHBondContact O-N 3.08Å
219	K	96.3	Very high	97.4	Very high	133 Å²	133	33 Å²	33	58%	0.578	17%	0.165	S	C	*	.			trans	-99.3	97.2	-179.4	-61	168.1	-169.6	155.5	0	110.1	C216 E217 R338	C216-K219 WeakPolarHBondContact O-CB 3.5Å; C216-K219 PolarHBondContact O-N 3.15Å; E217-K219 PolarHBondContact O-N 3.15Å; E217-K219 IonicContact OE2-NZ 3.61Å; E217-K219 PolarHBondContact OE2-NZ 2.84Å; K219-R338 PolarHBondContact O-NH1 3.03Å; K219-R338 VanDerWaalsContact O-NH1 3.09Å
220	L	98	Very high	97.3	Very high	9 Å²	9	33.2 Å²	33.2	5%	0.047	17%	0.167	C	C	.	.			trans	-143.4	148.5	175.7	-173.3	63.1	0	0	0	109.6	I212 M222 M223 F240 V247 R338 V340	I212-L220 HydrophobicContact CG2-CD2 4.34Å; L220-M222 WeakPolarHBondContact CD1-O 3.27Å; L220-M223 HydrophobicContact CD2-CB 4.38Å; L220-M223 HydrophobicContact CD2-CE 3.51Å; L220-F240 HydrophobicContact CB-CE1 4.27Å; L220-F240 HydrophobicContact CD2-CD1 4.26Å; L220-F240 HydrophobicContact CD2-CE1 3.45Å; L220-F240 VanDerWaalsContact CD2-CE1 3.45Å; L220-F240 HydrophobicContact CD2-CZ 3.92Å; L220-F240 HydrophobicContact CG-CE1 4.42Å; L220-V247 HydrophobicContact CB-CG2 3.95Å; L220-V247 HydrophobicContact CD2-CG1 4.09Å; L220-V247 HydrophobicContact CD2-CG2 4.44Å; L220-V247 HydrophobicContact CG-CG1 4.28Å; L220-V247 HydrophobicContact CG-CG2 4.18Å; L220-V247 WeakPolarHBondContact O-CG2 3.47Å; L220-R338 HydrophobicContact CD1-CB 4.13Å; L220-R338 HydrophobicContact CD1-CG 3.8Å; L220-R338 WeakPolarHBondContact CD1-O 3.29Å; L220-V340 HydrophobicContact CD1-CB 3.93Å; L220-V340 HydrophobicContact CD1-CG2 3.29Å; L220-V340 HydrophobicContact CD2-CB 4.28Å; L220-V340 HydrophobicContact CD2-CG2 4.04Å; L220-V340 HydrophobicContact CG-CG2 4.32Å
221	D	98.6	Very high	97.4	Very high	45 Å²	45	30.7 Å²	30.7	24%	0.241	16%	0.155	C	C	.	.	S	Bend	trans	-120.3	-30	178.2	-58.9	-101.4	0	0	0	112.2	K248 Q337 R338	D221-K248 PolarHBondContact O-N 3.09Å; D221-Q337 HydrophobicContact CB-CB 4.04Å; D221-Q337 HydrophobicContact CB-CG 4.38Å; D221-Q337 VanDerWaalsContact CG-CB 3.49Å; D221-Q337 WeakPolarHBondContact OD1-CG 3.47Å; D221-Q337 PolarHBondContact OD1-NE2 3.19Å; D221-Q337 WeakPolarHBondContact OD2-CA 3.32Å; D221-Q337 WeakPolarHBondContact OD2-CB 3.43Å; D221-R338 WeakPolarHBondContact CB-O 3.5Å; D221-R338 PolarHBondContact N-O 2.85Å; D221-R338 PolarHBondContact OD2-N 3.48Å
222	M	98.8	Very high	97.4	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.02	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	138.8	-178.8	-173.6	179	-74.6	0	0	112.1	L220 V224 K248 V250 A329 A330 L333 R338 C339 V340	L220-M222 WeakPolarHBondContact CD1-O 3.27Å; M222-V224 HydrophobicContact CG-CG2 4.02Å; M222-V224 HydrophobicContact SD-CG2 4.11Å; M222-K248 CarbonylContact C-O 3.6Å; M222-K248 VanDerWaalsContact CA-O 3.28Å; M222-K248 WeakPolarHBondContact CA-O 3.09Å; M222-K248 HydrophobicContact CE-CD 4.01Å; M222-V250 HydrophobicContact CE-CG2 4.43Å; M222-V250 HydrophobicContact CG-CG2 3.96Å; M222-V250 HydrophobicContact SD-CG2 4.03Å; M222-A329 HydrophobicContact CE-CB 4.17Å; M222-A329 WeakPolarHBondContact CE-O 3.37Å; M222-A329 HydrophobicContact SD-CB 3.83Å; M222-A330 HydrophobicContact SD-CB 4.23Å; M222-L333 HydrophobicContact CB-CD1 3.91Å; M222-L333 HydrophobicContact CE-CD1 4.05Å; M222-L333 HydrophobicContact CE-CD2 4.33Å; M222-L333 HydrophobicContact CE-CG 4.28Å; M222-L333 HydrophobicContact SD-CD1 4.19Å; M222-R338 PolarHBondContact N-O 3.34Å; M222-R338 VanDerWaalsContact N-O 3.1Å; M222-C339 HydrophobicContact CB-CB 4.24Å; M222-C339 WeakPolarHBondContact O-CA 3.47Å; M222-V340 PolarHBondContact O-N 3.3Å
223	M	98.6	Very high	97.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.6	173.6	-178.9	59.9	71.4	0	0	109.5	I212 L220 I225 V236 F240 V247 K248 V250 V340 V342	I212-M223 HydrophobicContact CD1-CE 3.64Å; I212-M223 HydrophobicContact CD1-SD 4.41Å; I212-M223 HydrophobicContact CG2-CE 3.63Å; L220-M223 HydrophobicContact CD2-CB 4.38Å; L220-M223 HydrophobicContact CD2-CE 3.51Å; M223-I225 HydrophobicContact CG-CD1 3.65Å; M223-I225 HydrophobicContact CG-CG1 3.87Å; M223-I225 HydrophobicContact SD-CD1 4.25Å; M223-I225 HydrophobicContact SD-CG1 4.22Å; M223-V236 HydrophobicContact CE-CG1 4.07Å; M223-V236 HydrophobicContact CG-CG1 4.13Å; M223-F240 HydrophobicContact CE-CE2 4.44Å; M223-F240 HydrophobicContact CE-CZ 4.22Å; M223-V247 HydrophobicContact CB-CG1 4.14Å; M223-K248 PolarHBondContact N-O 3.46Å; M223-V250 PolarHBondContact O-N 2.91Å; M223-V340 CarbonylContact C-O 3.49Å; M223-V340 WeakPolarHBondContact CA-O 3.44Å; M223-V340 HydrophobicContact CE-CB 3.8Å; M223-V340 HydrophobicContact CE-CG1 3.72Å; M223-V340 HydrophobicContact CE-CG2 4.46Å; M223-V340 HydrophobicContact SD-CB 3.87Å; M223-V340 HydrophobicContact SD-CG1 3.65Å; M223-V342 HydrophobicContact SD-CG2 4.29Å
224	V	98.9	Very high	97.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121	-177.7	-171.3	0	0	0	0	110.4	M222 V250 V252 A322 A325 A326 V340 V341 V342	M222-V224 HydrophobicContact CG-CG2 4.02Å; M222-V224 HydrophobicContact SD-CG2 4.11Å; V224-V250 HydrophobicContact CB-CB 4.46Å; V224-V250 HydrophobicContact CG1-CB 4.3Å; V224-V250 HydrophobicContact CG1-CG1 4.34Å; V224-V250 HydrophobicContact CG2-CB 4.1Å; V224-V250 HydrophobicContact CG2-CG2 4.35Å; V224-V252 HydrophobicContact CG1-CG2 3.56Å; V224-A322 WeakPolarHBondContact CG1-O 3.26Å; V224-A325 HydrophobicContact CG1-CB 4.28Å; V224-A326 HydrophobicContact CB-CB 4.1Å; V224-A326 HydrophobicContact CG1-CB 4.1Å; V224-A326 HydrophobicContact CG2-CB 3.79Å; V224-V340 PolarHBondContact N-O 3.18Å; V224-V341 HydrophobicContact CB-CG1 4.34Å; V224-V341 HydrophobicContact CB-CG2 4.36Å; V224-V342 PolarHBondContact O-N 3.4Å; V224-V342 VanDerWaalsContact O-N 3.13Å
225	I	98.8	Very high	97.6	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	125.2	-170.6	-59.1	173	0	0	0	110.6	M223 T232 L233 V236 V250 V252 V342	M223-I225 HydrophobicContact CG-CD1 3.65Å; M223-I225 HydrophobicContact CG-CG1 3.87Å; M223-I225 HydrophobicContact SD-CD1 4.25Å; M223-I225 HydrophobicContact SD-CG1 4.22Å; I225-T232 HydrophobicContact CG2-CG2 4.05Å; I225-L233 HydrophobicContact CB-CB 4.47Å; I225-L233 HydrophobicContact CD1-CB 4.48Å; I225-L233 HydrophobicContact CG2-CB 4.12Å; I225-V236 HydrophobicContact CD1-CB 4.09Å; I225-V236 HydrophobicContact CD1-CG1 4.16Å; I225-V236 HydrophobicContact CD1-CG2 4.47Å; I225-V250 PolarHBondContact N-O 3.24Å; I225-V252 PolarHBondContact O-N 2.92Å; I225-V342 HydrophobicContact CD1-CG2 4.45Å; I225-V342 HydrophobicContact CG1-CB 4.43Å; I225-V342 HydrophobicContact CG1-CG2 3.9Å
226	G	98.5	Very high	97.6	Very high	12 Å²	12	20.2 Å²	20.2	12%	0.124	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	131.4	167.4	0	0	0	0	0	112.6
227	V	98	Very high	97.6	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	11%	0.111	C	C	.	.			trans	-107.6	113.4	-170.4	-170.9	0	0	0	0	111.1	L233 V252 I259 I275 G276 L284 W292	V227-L233 HydrophobicContact CG2-CB 4.45Å; V227-L233 HydrophobicContact CG2-CD1 3.64Å; V227-V252 PolarHBondContact N-O 3.46Å; V227-I259 HydrophobicContact CG1-CD1 4.27Å; V227-I259 HydrophobicContact CG1-CG2 3.86Å; V227-I275 WeakPolarHBondContact O-CA 3.27Å; V227-I275 WeakPolarHBondContact O-CB 3.49Å; V227-G276 PolarHBondContact O-N 2.96Å; V227-L284 HydrophobicContact CG1-CD1 4.21Å; V227-L284 HydrophobicContact CG1-CD2 4.14Å; V227-W292 HydrophobicContact CB-CH2 4.25Å; V227-W292 HydrophobicContact CB-CZ3 4.02Å; V227-W292 HydrophobicContact CG1-CH2 4.14Å; V227-W292 HydrophobicContact CG1-CZ3 4.39Å; V227-W292 HydrophobicContact CG2-CH2 3.89Å; V227-W292 HydrophobicContact CG2-CZ3 3.65Å
228	G	94.4	Very high	97.7	Very high	7 Å²	7	14.9 Å²	14.9	7%	0.072	9%	0.086	C	C	.	.	S	Bend	trans	-107.8	-94.3	164.7	0	0	0	0	0	109.7	G230 I259 Y277	G228-G230 PolarHBondContact O-N 2.75Å; G228-I259 WeakPolarHBondContact O-CD1 3.19Å; G228-Y277 WeakPolarHBondContact O-CD2 3.47Å
229	T	94.8	Very high	97.9	Very high	5 Å²	5	13.3 Å²	13.3	3%	0.031	7%	0.068	C	C	.	.	S	Bend	trans	-65.6	-20.9	174.4	69.2	0	0	0	0	113.1	Q194 Y195 N200 G231 P281 V283	Q194-T229 HydrophobicContact CB-CG2 4.39Å; Q194-T229 HydrophobicContact CG-CG2 3.84Å; Y195-T229 HydrophobicContact CD1-CG2 4.05Å; Y195-T229 HydrophobicContact CE1-CG2 4.05Å; N200-T229 PolarHBondContact ND2-OG1 3.49Å; T229-G231 VanDerWaalsContact C-N 3.29Å; T229-G231 PolarHBondContact O-N 3.14Å; T229-G231 PolarHBondContact OG1-N 2.76Å; T229-P281 VanDerWaalsContact O-CB 3.25Å; T229-P281 WeakPolarHBondContact O-CB 3.28Å; T229-P281 WeakPolarHBondContact O-CG 3.22Å; T229-V283 WeakPolarHBondContact O-CG2 3.32Å
230	G	96.7	Very high	97.9	Very high	4 Å²	4	7.1 Å²	7.1	4%	0.041	4%	0.041	C	C	.	.	S	Bend	trans	85	-11.8	-171.6	0	0	0	0	0	115.6	G228 T232 L233 T234	G228-G230 PolarHBondContact O-N 2.75Å; G230-T232 VanDerWaalsContact C-N 3.33Å; G230-T232 PolarHBondContact O-N 3.41Å; G230-L233 PolarHBondContact O-N 3.01Å; G230-L233 VanDerWaalsContact O-N 3.12Å; G230-T234 WeakPolarHBondContact O-CB 3.3Å; G230-T234 PolarHBondContact O-N 3.01Å; G230-T234 PolarHBondContact O-OG1 2.99Å
231	G	98	Very high	97.8	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-57.5	-40.5	-175.9	0	0	0	0	0	114.1	N200 P201 H204 T229 G235	N200-G231 WeakPolarHBondContact OD1-CA 3.22Å; P201-G231 WeakPolarHBondContact CA-O 3.33Å; H204-G231 VanDerWaalsContact CD2-C 3.46Å; H204-G231 PolarHBondContact CD2-O 3.28Å; T229-G231 VanDerWaalsContact C-N 3.29Å; T229-G231 PolarHBondContact O-N 3.14Å; T229-G231 PolarHBondContact OG1-N 2.76Å; G231-G235 PolarHBondContact O-N 2.99Å
232	T	98.7	Very high	97.7	Very high	12 Å²	12	8.6 Å²	8.6	7%	0.074	5%	0.046	C	C	.	.	H	α-helix	trans	-63.5	-48	176	-47.6	0	0	0	0	112	V90 H204 I225 G230 V236 V342	V90-T232 HydrophobicContact CG2-CG2 4.41Å; H204-T232 WeakPolarHBondContact CD2-CA 3.35Å; H204-T232 PolarHBondContact CD2-N 3.33Å; H204-T232 VanDerWaalsContact CD2-N 3.34Å; H204-T232 PolarHBondContact CE1-OG1 2.54Å; H204-T232 PolarHBondContact NE2-OG1 3.13Å; I225-T232 HydrophobicContact CG2-CG2 4.05Å; G230-T232 VanDerWaalsContact C-N 3.33Å; G230-T232 PolarHBondContact O-N 3.41Å; T232-V236 WeakPolarHBondContact O-CB 3.48Å; T232-V236 WeakPolarHBondContact O-CG2 3.38Å; T232-V236 PolarHBondContact O-N 3.32Å; T232-V236 VanDerWaalsContact O-N 3.08Å; T232-V342 HydrophobicContact CG2-CG1 4.47Å
233	L	98.7	Very high	97.5	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-62.8	-46.5	178.1	-175.4	147.8	0	0	0	111	I225 V227 G230 G237 I249 L284 L288 V289	I225-L233 HydrophobicContact CB-CB 4.47Å; I225-L233 HydrophobicContact CD1-CB 4.48Å; I225-L233 HydrophobicContact CG2-CB 4.12Å; V227-L233 HydrophobicContact CG2-CB 4.45Å; V227-L233 HydrophobicContact CG2-CD1 3.64Å; G230-L233 PolarHBondContact O-N 3.01Å; G230-L233 VanDerWaalsContact O-N 3.12Å; L233-G237 VanDerWaalsContact O-CA 3.31Å; L233-G237 WeakPolarHBondContact O-CA 3.48Å; L233-G237 PolarHBondContact O-N 3.22Å; L233-I249 HydrophobicContact CD1-CG2 4.23Å; L233-I249 HydrophobicContact CD2-CG2 4.45Å; L233-I249 HydrophobicContact CG-CG2 4.11Å; L233-L284 HydrophobicContact CD2-CD1 4.15Å; L233-L288 HydrophobicContact CD2-CB 4.36Å; L233-V289 HydrophobicContact CD1-CG2 3.73Å; L233-V289 HydrophobicContact CD2-CG2 3.54Å; L233-V289 HydrophobicContact CG-CG2 4.27Å
234	T	98.6	Very high	97.3	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.012	8%	0.078	C	C	.	.	H	α-helix	trans	-68.8	-45.3	-177.1	-66.4	0	0	0	0	112.1	P201 G230 G237 R238 V283 D285 L288	P201-T234 HydrophobicContact CB-CG2 4.14Å; G230-T234 WeakPolarHBondContact O-CB 3.3Å; G230-T234 PolarHBondContact O-N 3.01Å; G230-T234 PolarHBondContact O-OG1 2.99Å; T234-G237 PolarHBondContact O-N 2.87Å; T234-R238 HydrophobicContact CG2-CG 4.39Å; T234-R238 WeakPolarHBondContact O-CB 3.44Å; T234-R238 VanDerWaalsContact O-CG 3.26Å; T234-R238 WeakPolarHBondContact O-CG 3.33Å; T234-R238 PolarHBondContact O-N 3.27Å; T234-V283 WeakPolarHBondContact CB-O 3.32Å; T234-V283 WeakPolarHBondContact CG2-O 3.16Å; T234-V283 PolarHBondContact OG1-O 3.18Å; T234-D285 HydrophobicContact CG2-CB 3.72Å; T234-D285 PolarHBondContact OG1-N 3.38Å; T234-L288 HydrophobicContact CG2-CD1 4.1Å
235	G	98.6	Very high	97.1	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-63.2	-49.3	178.8	0	0	0	0	0	112.6	P201 Y205 G231 K239	P201-G235 WeakPolarHBondContact O-CA 3.35Å; Y205-G235 VanDerWaalsContact CA-O 3.32Å; Y205-G235 WeakPolarHBondContact CA-O 3.3Å; Y205-G235 WeakPolarHBondContact CB-O 3.42Å; G231-G235 PolarHBondContact O-N 2.99Å; G235-K239 PolarHBondContact O-N 3.34Å
236	V	98.6	Very high	97	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-63.4	-48	175.8	174	0	0	0	0	110.4	H204 T208 A209 M223 I225 T232 R238 K239 F240	H204-V236 HydrophobicContact CB-CG2 4.36Å; T208-V236 HydrophobicContact CG2-CG2 4.14Å; A209-V236 HydrophobicContact CB-CG2 4.3Å; M223-V236 HydrophobicContact CE-CG1 4.07Å; M223-V236 HydrophobicContact CG-CG1 4.13Å; I225-V236 HydrophobicContact CD1-CB 4.09Å; I225-V236 HydrophobicContact CD1-CG1 4.16Å; I225-V236 HydrophobicContact CD1-CG2 4.47Å; T232-V236 WeakPolarHBondContact O-CB 3.48Å; T232-V236 WeakPolarHBondContact O-CG2 3.38Å; T232-V236 PolarHBondContact O-N 3.32Å; T232-V236 VanDerWaalsContact O-N 3.08Å; V236-R238 PolarHBondContact O-N 3.08Å; V236-K239 PolarHBondContact O-N 3.06Å; V236-F240 HydrophobicContact CG1-CD2 3.68Å; V236-F240 HydrophobicContact CG1-CE2 3.9Å; V236-F240 VanDerWaalsContact O-CD2 3.28Å; V236-F240 WeakPolarHBondContact O-CD2 3.29Å; V236-F240 PolarHBondContact O-N 3.28Å
237	G	98.3	Very high	97	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-45.2	-176.1	0	0	0	0	0	113.4	L233 T234 K239 F240 K241	L233-G237 VanDerWaalsContact O-CA 3.31Å; L233-G237 WeakPolarHBondContact O-CA 3.48Å; L233-G237 PolarHBondContact O-N 3.22Å; T234-G237 PolarHBondContact O-N 2.87Å; G237-K239 PolarHBondContact O-N 3.33Å; G237-F240 PolarHBondContact O-N 2.58Å; G237-K241 WeakPolarHBondContact O-CG 3.28Å; G237-K241 PolarHBondContact O-N 2.9Å
238	R	98.2	Very high	97	Very high	37 Å²	37	27.6 Å²	27.6	14%	0.14	15%	0.149	C	C	.	.	H	α-helix	trans	-59.4	-46.5	176.8	-73	-174.5	171.9	-176.4	-3.4	112.2	C23 W25 Y205 T234 V236 F240 K241 E242 D285 L288	C23-R238 PolarHBondContact SG-NH1 2.86Å; W25-R238 HydrophobicContact CD2-CB 4.33Å; W25-R238 VanDerWaalsContact CD2-CD 3.47Å; W25-R238 HydrophobicContact CD2-CG 3.77Å; W25-R238 HydrophobicContact CE3-CG 3.81Å; W25-R238 HydrophobicContact CH2-CB 4Å; W25-R238 HydrophobicContact CH2-CG 3.66Å; W25-R238 HydrophobicContact CZ2-CB 3.5Å; W25-R238 VanDerWaalsContact CZ2-CB 3.5Å; W25-R238 HydrophobicContact CZ2-CG 3.59Å; W25-R238 HydrophobicContact CZ3-CG 3.76Å; Y205-R238 HydrophobicContact CD2-CB 3.91Å; Y205-R238 HydrophobicContact CE2-CB 4.16Å; T234-R238 HydrophobicContact CG2-CG 4.39Å; T234-R238 WeakPolarHBondContact O-CB 3.44Å; T234-R238 VanDerWaalsContact O-CG 3.26Å; T234-R238 WeakPolarHBondContact O-CG 3.33Å; T234-R238 PolarHBondContact O-N 3.27Å; V236-R238 PolarHBondContact O-N 3.08Å; R238-F240 VanDerWaalsContact C-N 3.3Å; R238-F240 PolarHBondContact O-N 2.91Å; R238-K241 PolarHBondContact O-N 2.83Å; R238-E242 WeakPolarHBondContact O-CG 3.43Å; R238-E242 PolarHBondContact O-N 3.47Å; R238-D285 IonicContact CZ-OD2 3.26Å; R238-D285 IonicContact NE-OD2 3.15Å; R238-D285 PolarHBondContact NE-OD2 2.94Å; R238-D285 IonicContact NH2-OD2 2.8Å; R238-D285 PolarHBondContact NH2-OD2 3.41Å; R238-L288 HydrophobicContact CG-CD1 3.64Å; R238-L288 HydrophobicContact CG-CD2 4.19Å
239	K	97.4	Very high	97.2	Very high	3 Å²	3	27.4 Å²	27.4	1%	0.013	15%	0.146	C	C	.	.	H	α-helix	trans	-60.8	-42.1	176.7	-177.7	66.8	62.8	169.1	0	111.6	Y205 A209 E210 L213 G235 V236 G237 E242 K243	Y205-K239 HydrophobicContact CD2-CB 3.82Å; Y205-K239 HydrophobicContact CE2-CB 3.96Å; Y205-K239 HydrophobicContact CE2-CD 4.25Å; Y205-K239 VanDerWaalsContact CZ-CE 3.43Å; Y205-K239 VanDerWaalsContact CZ-NZ 3.31Å; Y205-K239 WeakPolarHBondContact O-CE 3.44Å; Y205-K239 PolarHBondContact OH-NZ 2.66Å; A209-K239 HydrophobicContact CB-CB 3.52Å; A209-K239 HydrophobicContact CB-CG 3.59Å; E210-K239 WeakPolarHBondContact OE1-CE 3.24Å; E210-K239 IonicContact OE1-NZ 2.67Å; E210-K239 PolarHBondContact OE1-NZ 3.48Å; L213-K239 HydrophobicContact CD1-CD 4.32Å; L213-K239 HydrophobicContact CD1-CG 3.81Å; G235-K239 PolarHBondContact O-N 3.34Å; V236-K239 PolarHBondContact O-N 3.06Å; G237-K239 PolarHBondContact O-N 3.33Å; K239-E242 WeakPolarHBondContact O-CB 3.25Å; K239-E242 PolarHBondContact O-N 3.11Å; K239-K243 HydrophobicContact CD-CG 4.03Å; K239-K243 HydrophobicContact CG-CG 4.45Å; K239-K243 WeakPolarHBondContact O-CB 3.46Å; K239-K243 WeakPolarHBondContact O-CG 3.47Å; K239-K243 PolarHBondContact O-N 2.87Å
240	F	97.3	Very high	97.4	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.013	15%	0.145	C	C	.	.	H	α-helix	trans	-71.9	-38.3	-177.8	-89.6	-100.4	0	0	0	112.5	A209 I212 L213 L220 M223 V236 G237 R238 E242 K243 C244 V247	A209-F240 HydrophobicContact CB-CD2 4.37Å; A209-F240 HydrophobicContact CB-CE2 4.22Å; I212-F240 HydrophobicContact CB-CE2 4.39Å; I212-F240 HydrophobicContact CB-CZ 4.21Å; I212-F240 HydrophobicContact CG2-CE2 4.24Å; I212-F240 HydrophobicContact CG2-CZ 3.65Å; L213-F240 HydrophobicContact CD2-CD1 4.45Å; L213-F240 HydrophobicContact CD2-CE1 3.83Å; L213-F240 HydrophobicContact CD2-CE2 4.22Å; L213-F240 HydrophobicContact CD2-CZ 3.71Å; L213-F240 HydrophobicContact CG-CE1 4.43Å; L213-F240 HydrophobicContact CG-CE2 3.96Å; L213-F240 HydrophobicContact CG-CZ 3.81Å; L220-F240 HydrophobicContact CB-CE1 4.27Å; L220-F240 HydrophobicContact CD2-CD1 4.26Å; L220-F240 HydrophobicContact CD2-CE1 3.45Å; L220-F240 VanDerWaalsContact CD2-CE1 3.45Å; L220-F240 HydrophobicContact CD2-CZ 3.92Å; L220-F240 HydrophobicContact CG-CE1 4.42Å; M223-F240 HydrophobicContact CE-CE2 4.44Å; M223-F240 HydrophobicContact CE-CZ 4.22Å; V236-F240 HydrophobicContact CG1-CD2 3.68Å; V236-F240 HydrophobicContact CG1-CE2 3.9Å; V236-F240 VanDerWaalsContact O-CD2 3.28Å; V236-F240 WeakPolarHBondContact O-CD2 3.29Å; V236-F240 PolarHBondContact O-N 3.28Å; G237-F240 PolarHBondContact O-N 2.58Å; R238-F240 VanDerWaalsContact C-N 3.3Å; R238-F240 PolarHBondContact O-N 2.91Å; F240-E242 PolarHBondContact O-N 3.1Å; F240-K243 PolarHBondContact O-N 2.71Å; F240-C244 HydrophobicContact CD1-CB 4.08Å; F240-C244 CarbonylContact O-C 3.55Å; F240-C244 WeakPolarHBondContact O-CA 3.25Å; F240-C244 PolarHBondContact O-N 3.22Å; F240-C244 VanDerWaalsContact O-O 3.13Å; F240-V247 HydrophobicContact CD1-CB 3.99Å; F240-V247 HydrophobicContact CD1-CG1 3.96Å; F240-V247 HydrophobicContact CD1-CG2 3.81Å; F240-V247 HydrophobicContact CE1-CG2 4.2Å
241	K	95.7	Very high	97.5	Very high	31 Å²	31	27 Å²	27	14%	0.135	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-32.5	171.6	-65.4	-56.9	-171.9	-170.3	0	111.9	W25 E27 G237 R238 L288 D290	W25-K241 HydrophobicContact CH2-CB 4.42Å; E27-K241 HydrophobicContact CB-CB 4.32Å; G237-K241 WeakPolarHBondContact O-CG 3.28Å; G237-K241 PolarHBondContact O-N 2.9Å; R238-K241 PolarHBondContact O-N 2.83Å; K241-L288 HydrophobicContact CG-CD2 3.81Å; K241-D290 IonicContact NZ-OD1 2.66Å; K241-D290 PolarHBondContact NZ-OD1 2.94Å; K241-D290 IonicContact NZ-OD2 3.49Å; K241-D290 PolarHBondContact NZ-OD2 3.22Å
242	E	95.4	Very high	97.5	Very high	55 Å²	55	27 Å²	27	26%	0.257	14%	0.143	S	C	.	.	H	α-helix	trans	-73.2	-38.5	174	-68.4	166	-164.2	0	0	114.3	W25 Y205 R238 K239 F240	W25-E242 HydrophobicContact CZ2-CG 4.25Å; W25-E242 PolarHBondContact NE1-OE1 3.19Å; Y205-E242 WeakPolarHBondContact CE2-OE1 3Å; Y205-E242 VanDerWaalsContact OH-CD 3.28Å; Y205-E242 PolarHBondContact OH-OE1 3.24Å; Y205-E242 PolarHBondContact OH-OE2 2.91Å; R238-E242 WeakPolarHBondContact O-CG 3.43Å; R238-E242 PolarHBondContact O-N 3.47Å; K239-E242 WeakPolarHBondContact O-CB 3.25Å; K239-E242 PolarHBondContact O-N 3.11Å; F240-E242 PolarHBondContact O-N 3.1Å
243	K	94.4	Very high	97.5	Very high	132 Å²	132	26.4 Å²	26.4	57%	0.574	14%	0.139	S	C	*	.	H	α-helix	trans	-104.9	-35.6	-168.9	-64.8	-62.7	-174.9	-177.5	0	114.7	L213 K239 F240	L213-K243 HydrophobicContact CD1-CB 4.12Å; L213-K243 HydrophobicContact CD1-CG 4.08Å; L213-K243 HydrophobicContact CD2-CB 4.41Å; K239-K243 HydrophobicContact CD-CG 4.03Å; K239-K243 HydrophobicContact CG-CG 4.45Å; K239-K243 WeakPolarHBondContact O-CB 3.46Å; K239-K243 WeakPolarHBondContact O-CG 3.47Å; K239-K243 PolarHBondContact O-N 2.87Å; F240-K243 PolarHBondContact O-N 2.71Å
244	C	94.9	Very high	97.4	Very high	18 Å²	18	26.4 Å²	26.4	12%	0.122	14%	0.14	C	C	.	.			trans	-140.9	64.6	-174.2	-60.7	0	0	0	0	109.4	L213 F240 S246 V247	L213-C244 VanDerWaalsContact CD2-SG 3.54Å; F240-C244 HydrophobicContact CD1-CB 4.08Å; F240-C244 CarbonylContact O-C 3.55Å; F240-C244 WeakPolarHBondContact O-CA 3.25Å; F240-C244 PolarHBondContact O-N 3.22Å; F240-C244 VanDerWaalsContact O-O 3.13Å; C244-S246 PolarHBondContact O-N 3.46Å; C244-V247 HydrophobicContact CB-CG2 3.81Å; C244-V247 WeakPolarHBondContact O-CB 3.33Å; C244-V247 WeakPolarHBondContact O-CG2 3.45Å; C244-V247 PolarHBondContact O-N 2.88Å
245	P	95.3	Very high	97.3	Very high	85 Å²	85	28.2 Å²	28.2	55%	0.552	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.1	-170.4	23.3	-34.6	0	0	0	114.5	V247	P245-V247 VanDerWaalsContact C-N 3.27Å; P245-V247 PolarHBondContact O-N 3.08Å
246	S	96.4	Very high	97	Very high	106 Å²	106	29.3 Å²	29.3	74%	0.741	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.7	175.3	57.9	0	0	0	0	114.2	C244 K248	C244-S246 PolarHBondContact O-N 3.46Å; S246-K248 PolarHBondContact O-N 2.94Å
247	V	98.1	Very high	96.8	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-68.5	125.6	179.9	172.4	0	0	0	0	110.1	L220 M223 F240 C244 P245	L220-V247 HydrophobicContact CB-CG2 3.95Å; L220-V247 HydrophobicContact CD2-CG1 4.09Å; L220-V247 HydrophobicContact CD2-CG2 4.44Å; L220-V247 HydrophobicContact CG-CG1 4.28Å; L220-V247 HydrophobicContact CG-CG2 4.18Å; L220-V247 WeakPolarHBondContact O-CG2 3.47Å; M223-V247 HydrophobicContact CB-CG1 4.14Å; F240-V247 HydrophobicContact CD1-CB 3.99Å; F240-V247 HydrophobicContact CD1-CG1 3.96Å; F240-V247 HydrophobicContact CD1-CG2 3.81Å; F240-V247 HydrophobicContact CE1-CG2 4.2Å; C244-V247 HydrophobicContact CB-CG2 3.81Å; C244-V247 WeakPolarHBondContact O-CB 3.33Å; C244-V247 WeakPolarHBondContact O-CG2 3.45Å; C244-V247 PolarHBondContact O-N 2.88Å; P245-V247 VanDerWaalsContact C-N 3.27Å; P245-V247 PolarHBondContact O-N 3.08Å
248	K	98.3	Very high	96.6	Very high	75 Å²	75	35.3 Å²	35.3	33%	0.326	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	121.9	173.5	-173.4	172.7	173.8	-178.7	0	110.7	D221 M222 M223 S246 V250 D290 Q291	D221-K248 PolarHBondContact O-N 3.09Å; M222-K248 CarbonylContact C-O 3.6Å; M222-K248 VanDerWaalsContact CA-O 3.28Å; M222-K248 WeakPolarHBondContact CA-O 3.09Å; M222-K248 HydrophobicContact CE-CD 4.01Å; M223-K248 PolarHBondContact N-O 3.46Å; S246-K248 PolarHBondContact O-N 2.94Å; K248-V250 HydrophobicContact CG-CG2 4.45Å; K248-D290 WeakPolarHBondContact CA-OD2 3.34Å; K248-D290 HydrophobicContact CG-CB 3.84Å; K248-Q291 VanDerWaalsContact CE-OE1 3.23Å
249	I	98.6	Very high	96.4	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119.2	178.7	-60.2	169.4	0	0	0	109.2	L233 L288 D290 Q291	L233-I249 HydrophobicContact CD1-CG2 4.23Å; L233-I249 HydrophobicContact CD2-CG2 4.45Å; L233-I249 HydrophobicContact CG-CG2 4.11Å; I249-L288 WeakPolarHBondContact CB-O 3.48Å; I249-L288 WeakPolarHBondContact CD1-O 3.39Å; I249-D290 PolarHBondContact N-OD2 2.74Å; I249-D290 PolarHBondContact O-N 3.25Å; I249-Q291 PolarHBondContact O-N 2.97Å
250	V	98.7	Very high	96.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	116.8	179	-174.7	0	0	0	0	109.6	M222 M223 V224 I225 K248 Q291 V293 A329	M222-V250 HydrophobicContact CE-CG2 4.43Å; M222-V250 HydrophobicContact CG-CG2 3.96Å; M222-V250 HydrophobicContact SD-CG2 4.03Å; M223-V250 PolarHBondContact O-N 2.91Å; V224-V250 HydrophobicContact CB-CB 4.46Å; V224-V250 HydrophobicContact CG1-CB 4.3Å; V224-V250 HydrophobicContact CG1-CG1 4.34Å; V224-V250 HydrophobicContact CG2-CB 4.1Å; V224-V250 HydrophobicContact CG2-CG2 4.35Å; I225-V250 PolarHBondContact N-O 3.24Å; K248-V250 HydrophobicContact CG-CG2 4.45Å; V250-Q291 CarbonylContact C-O 3.57Å; V250-Q291 VanDerWaalsContact CA-O 3.27Å; V250-Q291 WeakPolarHBondContact CA-O 3.3Å; V250-Q291 HydrophobicContact CG2-CB 4.41Å; V250-V293 HydrophobicContact CG1-CG2 3.75Å; V250-A329 HydrophobicContact CG1-CB 4.33Å; V250-A329 HydrophobicContact CG2-CB 4.15Å
251	G	98.7	Very high	96	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	132.4	172.3	0	0	0	0	0	111.1	Q291 W292 V293	G251-Q291 PolarHBondContact N-O 3.46Å; G251-W292 CarbonylContact O-C 3.58Å; G251-W292 WeakPolarHBondContact O-CA 3.5Å; G251-V293 PolarHBondContact O-N 2.58Å
252	V	98.7	Very high	95.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.2	177.9	-171.9	0	0	0	0	109.6	V224 I225 V227 V293 V295 A325	V224-V252 HydrophobicContact CG1-CG2 3.56Å; I225-V252 PolarHBondContact O-N 2.92Å; V227-V252 PolarHBondContact N-O 3.46Å; V252-V293 WeakPolarHBondContact CA-O 3.25Å; V252-V295 HydrophobicContact CG1-CG1 3.89Å; V252-A325 HydrophobicContact CB-CB 4.21Å; V252-A325 HydrophobicContact CG1-CB 3.78Å; V252-A325 HydrophobicContact CG2-CB 3.37Å
253	D	98.1	Very high	95.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	130	-173.1	-173.9	43.7	0	0	0	109.3	S257 A260 W292 V293 K294 V295	D253-S257 VanDerWaalsContact CG-OG 3.32Å; D253-S257 WeakPolarHBondContact OD1-CB 3.46Å; D253-S257 PolarHBondContact OD1-OG 3.32Å; D253-S257 PolarHBondContact OD2-OG 3.31Å; D253-A260 HydrophobicContact CB-CB 4.02Å; D253-A260 VanDerWaalsContact OD2-CB 3.3Å; D253-A260 WeakPolarHBondContact OD2-CB 3.39Å; D253-A260 PolarHBondContact OD2-N 3.08Å; D253-A260 VanDerWaalsContact OD2-N 3.11Å; D253-W292 HydrophobicContact CB-CE3 4.03Å; D253-W292 HydrophobicContact CB-CZ3 4.05Å; D253-V293 PolarHBondContact N-O 2.77Å; D253-K294 HydrophobicContact CB-CD 4.08Å; D253-K294 VanDerWaalsContact O-CA 3.26Å; D253-K294 WeakPolarHBondContact O-CA 3.48Å; D253-K294 IonicContact OD2-NZ 3.87Å; D253-K294 PolarHBondContact OD2-NZ 3.4Å; D253-V295 PolarHBondContact O-N 3.17Å
254	P	97.2	Very high	95.2	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	151.8	-178.3	30.2	-36.5	0	0	0	111.4	S257 F270 V272 I275 K294 V295	P254-S257 VanDerWaalsContact O-CB 3.29Å; P254-S257 WeakPolarHBondContact O-CB 3.25Å; P254-S257 PolarHBondContact O-N 2.74Å; P254-F270 HydrophobicContact CB-CD2 4.48Å; P254-F270 HydrophobicContact CB-CG 4.33Å; P254-F270 HydrophobicContact CG-CD2 4.29Å; P254-F270 HydrophobicContact CG-CE1 4.5Å; P254-F270 HydrophobicContact CG-CE2 4.26Å; P254-F270 HydrophobicContact CG-CG 4.42Å; P254-F270 HydrophobicContact CG-CZ 4.37Å; P254-V272 HydrophobicContact CB-CG1 3.8Å; P254-V272 HydrophobicContact CG-CG1 4.31Å; P254-I275 HydrophobicContact CB-CD1 4.38Å; P254-I275 HydrophobicContact CB-CG1 4.5Å; P254-I275 HydrophobicContact CG-CD1 4.32Å; P254-I275 HydrophobicContact CG-CG1 4.01Å; P254-K294 WeakPolarHBondContact O-CE 3.17Å; P254-K294 PolarHBondContact O-NZ 3.43Å; P254-V295 WeakPolarHBondContact CA-O 3.4Å
255	E	96.2	Very high	94.7	Very high	40 Å²	40	42.1 Å²	42.1	19%	0.187	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	140.4	165.5	-64.7	-178.1	160.2	0	0	110.3	R266 A268 F270 K294 V295 S296	E255-R266 HydrophobicContact CB-CB 4.33Å; E255-R266 HydrophobicContact CG-CB 4.26Å; E255-R266 WeakPolarHBondContact OE1-CD 3.07Å; E255-R266 IonicContact OE1-CZ 2.83Å; E255-R266 IonicContact OE1-NE 3.25Å; E255-R266 IonicContact OE1-NH1 2.68Å; E255-R266 PolarHBondContact OE1-NH1 2.9Å; E255-A268 HydrophobicContact CB-CB 4.06Å; E255-F270 VanDerWaalsContact O-CD1 3.29Å; E255-F270 WeakPolarHBondContact O-CD1 3.35Å; E255-K294 HydrophobicContact CG-CB 4.37Å; E255-V295 PolarHBondContact N-O 2.92Å; E255-S296 WeakPolarHBondContact OE2-CB 3.48Å
256	G	93.2	Very high	94.1	Very high	24 Å²	24	45 Å²	45	25%	0.247	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	-17.5	-171.5	0	0	0	0	0	115.8	R266 A268	G256-R266 VanDerWaalsContact CA-O 3.3Å; G256-R266 WeakPolarHBondContact CA-O 3.3Å; G256-R266 PolarHBondContact N-O 3.34Å; G256-A268 WeakPolarHBondContact CA-O 3.2Å
257	S	93.9	Very high	93.4	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.007	26%	0.257	C	S	.	.			trans	-82.5	149.4	173.5	174.8	0	0	0	0	112.9	D253 P254 I259 G276 Y277 K294	D253-S257 VanDerWaalsContact CG-OG 3.32Å; D253-S257 WeakPolarHBondContact OD1-CB 3.46Å; D253-S257 PolarHBondContact OD1-OG 3.32Å; D253-S257 PolarHBondContact OD2-OG 3.31Å; P254-S257 VanDerWaalsContact O-CB 3.29Å; P254-S257 WeakPolarHBondContact O-CB 3.25Å; P254-S257 PolarHBondContact O-N 2.74Å; S257-I259 PolarHBondContact OG-N 3.47Å; S257-G276 WeakPolarHBondContact OG-CA 3.47Å; S257-Y277 PolarHBondContact OG-N 2.89Å; S257-Y277 PolarHBondContact OG-O 3.34Å; S257-K294 PolarHBondContact O-NZ 3.33Å
258	E	93	Very high	92.7	Very high	126 Å²	126	48.7 Å²	48.7	59%	0.589	27%	0.271	S	S	*	.	S	Bend	trans	-104.8	13.9	177.7	-58.9	-173.2	-169.2	0	0	113.1	Y277	E258-Y277 PolarHBondContact N-O 3.23Å
259	I	94.1	Very high	92.2	Very high	2 Å²	2	53 Å²	53	1%	0.01	30%	0.298	C	S	.	.	S	Bend	trans	-75	-47.8	179.8	-65.4	175.7	0	0	0	111.8	V227 G228 S257 Y277 L284 H286 W292	V227-I259 HydrophobicContact CG1-CD1 4.27Å; V227-I259 HydrophobicContact CG1-CG2 3.86Å; G228-I259 WeakPolarHBondContact O-CD1 3.19Å; S257-I259 PolarHBondContact OG-N 3.47Å; I259-Y277 HydrophobicContact CD1-CD2 4.1Å; I259-L284 HydrophobicContact CG2-CD2 3.47Å; I259-L284 VanDerWaalsContact CG2-CD2 3.47Å; I259-H286 PolarHBondContact O-NE2 3.19Å; I259-W292 HydrophobicContact CG2-CH2 3.65Å; I259-W292 HydrophobicContact CG2-CZ2 4.48Å; I259-W292 HydrophobicContact CG2-CZ3 4.04Å
260	A	94.6	Very high	91.9	Very high	5 Å²	5	54.8 Å²	54.8	4%	0.041	31%	0.306	C	S	.	.	S	Bend	trans	-66	158.7	176.3	0	0	0	0	0	110.8	D253 S262 W292 K294	D253-A260 HydrophobicContact CB-CB 4.02Å; D253-A260 VanDerWaalsContact OD2-CB 3.3Å; D253-A260 WeakPolarHBondContact OD2-CB 3.39Å; D253-A260 PolarHBondContact OD2-N 3.08Å; D253-A260 VanDerWaalsContact OD2-N 3.11Å; A260-S262 PolarHBondContact O-N 2.87Å; A260-W292 HydrophobicContact CB-CB 4.24Å; A260-W292 HydrophobicContact CB-CD2 3.87Å; A260-W292 HydrophobicContact CB-CE3 3.81Å; A260-W292 HydrophobicContact CB-CG 4.08Å; A260-W292 HydrophobicContact CB-CZ3 4.45Å; A260-K294 HydrophobicContact CB-CD 4.01Å
261	P	92.8	Very high	91.7	Very high	42 Å²	42	57.4 Å²	57.4	27%	0.273	32%	0.318	S	S	.	.			trans	-49.6	140.4	175.5	-29	36.3	0	0	0	112.5	E263 L264	P261-E263 HydrophobicContact CB-CG 4.35Å; P261-E263 WeakPolarHBondContact CB-OE1 3.48Å; P261-E263 WeakPolarHBondContact CB-OE2 3.42Å; P261-E263 PolarHBondContact O-N 3.31Å; P261-E263 VanDerWaalsContact O-N 3.1Å; P261-L264 WeakPolarHBondContact O-CB 3.41Å; P261-L264 PolarHBondContact O-N 3.24Å
262	S	88.6	Confident	91.5	Very high	99 Å²	99	57.5 Å²	57.5	69%	0.692	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-63.8	-21.6	-167.3	56.1	0	0	0	0	113.8	A260 L264 S265	A260-S262 PolarHBondContact O-N 2.87Å; S262-L264 PolarHBondContact O-N 2.89Å; S262-S265 WeakPolarHBondContact CA-OG 3.11Å; S262-S265 VanDerWaalsContact O-CB 3.25Å; S262-S265 WeakPolarHBondContact O-CB 3.34Å; S262-S265 PolarHBondContact O-N 2.83Å; S262-S265 VanDerWaalsContact O-N 3.08Å; S262-S265 PolarHBondContact O-OG 2.75Å
263	E	91.5	Very high	91.3	Very high	151 Å²	151	57.9 Å²	57.9	71%	0.706	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-64	-18.7	171.8	65.2	-88.6	-157.6	0	0	113.7	P261	P261-E263 HydrophobicContact CB-CG 4.35Å; P261-E263 WeakPolarHBondContact CB-OE1 3.48Å; P261-E263 WeakPolarHBondContact CB-OE2 3.42Å; P261-E263 PolarHBondContact O-N 3.31Å; P261-E263 VanDerWaalsContact O-N 3.1Å
264	L	88.1	Confident	91	Very high	66 Å²	66	58.8 Å²	58.8	35%	0.346	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-98.2	-3.3	174.8	-59.9	178.9	0	0	0	112.7	P261 S262 R266 W292 K294	P261-L264 WeakPolarHBondContact O-CB 3.41Å; P261-L264 PolarHBondContact O-N 3.24Å; S262-L264 PolarHBondContact O-N 2.89Å; L264-R266 PolarHBondContact O-N 3.34Å; L264-W292 HydrophobicContact CD1-CB 3.55Å; L264-K294 HydrophobicContact CB-CD 4.38Å; L264-K294 HydrophobicContact CB-CG 3.92Å; L264-K294 WeakPolarHBondContact O-CG 3.45Å
265	S	84.5	Confident	90.9	Very high	58 Å²	58	59 Å²	59	41%	0.406	33%	0.331	S	S	.	.			trans	-62.3	131.8	-176.6	-70.1	0	0	0	0	111.5	S262	S262-S265 WeakPolarHBondContact CA-OG 3.11Å; S262-S265 VanDerWaalsContact O-CB 3.25Å; S262-S265 WeakPolarHBondContact O-CB 3.34Å; S262-S265 PolarHBondContact O-N 2.83Å; S262-S265 VanDerWaalsContact O-N 3.08Å; S262-S265 PolarHBondContact O-OG 2.75Å
266	R	83.5	Confident	90.8	Very high	146 Å²	146	57.4 Å²	57.4	55%	0.551	33%	0.325	S	S	*	.			trans	-125.6	124.5	172.9	-66.4	-179.7	-178.5	-171.7	-0.8	107.3	E255 G256 L264 A268	E255-R266 HydrophobicContact CB-CB 4.33Å; E255-R266 HydrophobicContact CG-CB 4.26Å; E255-R266 WeakPolarHBondContact OE1-CD 3.07Å; E255-R266 IonicContact OE1-CZ 2.83Å; E255-R266 IonicContact OE1-NE 3.25Å; E255-R266 IonicContact OE1-NH1 2.68Å; E255-R266 PolarHBondContact OE1-NH1 2.9Å; G256-R266 VanDerWaalsContact CA-O 3.3Å; G256-R266 WeakPolarHBondContact CA-O 3.3Å; G256-R266 PolarHBondContact N-O 3.34Å; L264-R266 PolarHBondContact O-N 3.34Å; R266-A268 PolarHBondContact O-N 3.09Å
267	C	81.7	Confident	90.6	Very high	145 Å²	145	57.4 Å²	57.4	98%	0.98	32%	0.318	S	S	*	.			trans	-68.4	114.7	176.5	-171.9	0	0	0	0	108.9
268	A	83.5	Confident	90.3	Very high	39 Å²	39	60.6 Å²	60.6	32%	0.322	34%	0.335	S	S	.	.			trans	-157.9	154.3	176.7	0	0	0	0	0	109.6	E255 G256 R266	E255-A268 HydrophobicContact CB-CB 4.06Å; G256-A268 WeakPolarHBondContact CA-O 3.2Å; R266-A268 PolarHBondContact O-N 3.09Å
269	N	86.8	Confident	90	Very high	166 Å²	166	55.1 Å²	55.1	89%	0.888	31%	0.309	S	S	*	.			trans	-90.1	152.5	157.8	-70.8	-36.7	0	0	0	108.2
270	F	92.2	Very high	89.8	Confident	40 Å²	40	56.7 Å²	56.7	18%	0.175	32%	0.32	C	S	.	.			trans	-135.9	143	179.6	61.6	-92.3	0	0	0	113.5	K144 P254 E255 V272 I275 D297	K144-F270 PolarHBondContact NZ-O 3.37Å; P254-F270 HydrophobicContact CB-CD2 4.48Å; P254-F270 HydrophobicContact CB-CG 4.33Å; P254-F270 HydrophobicContact CG-CD2 4.29Å; P254-F270 HydrophobicContact CG-CE1 4.5Å; P254-F270 HydrophobicContact CG-CE2 4.26Å; P254-F270 HydrophobicContact CG-CG 4.42Å; P254-F270 HydrophobicContact CG-CZ 4.37Å; E255-F270 VanDerWaalsContact O-CD1 3.29Å; E255-F270 WeakPolarHBondContact O-CD1 3.35Å; F270-V272 HydrophobicContact CB-CG1 4.39Å; F270-V272 HydrophobicContact CD2-CG1 3.88Å; F270-V272 WeakPolarHBondContact CD2-O 3.26Å; F270-V272 HydrophobicContact CG-CG1 4.5Å; F270-I275 WeakPolarHBondContact CE2-O 3.31Å; F270-D297 VanDerWaalsContact CA-OD2 3.24Å; F270-D297 WeakPolarHBondContact CA-OD2 3.39Å
271	E	94.6	Very high	89.7	Confident	55 Å²	55	56.5 Å²	56.5	26%	0.257	32%	0.319	S	S	.	.			trans	-93.3	-27.3	180	-64.8	-67	166.5	0	0	112.1	E273 D297 F301 W359 K363 F365	E271-E273 PolarHBondContact O-N 3.25Å; E271-D297 WeakPolarHBondContact CB-OD2 3.15Å; E271-D297 PolarHBondContact N-OD1 3.31Å; E271-D297 PolarHBondContact N-OD2 3.4Å; E271-F301 HydrophobicContact CB-CE2 3.87Å; E271-F301 HydrophobicContact CB-CZ 3.94Å; E271-W359 HydrophobicContact CB-CH2 4.04Å; E271-W359 HydrophobicContact CB-CZ2 4.29Å; E271-W359 HydrophobicContact CG-CH2 4.34Å; E271-W359 HydrophobicContact CG-CZ2 4.35Å; E271-K363 HydrophobicContact CG-CD 4.32Å; E271-K363 WeakPolarHBondContact OE1-CE 3.45Å; E271-K363 IonicContact OE1-NZ 2.65Å; E271-K363 PolarHBondContact OE1-NZ 3.5Å; E271-K363 IonicContact OE2-NZ 3.5Å; E271-F365 HydrophobicContact CB-CE2 4.48Å; E271-F365 HydrophobicContact CG-CE2 4.23Å; E271-F365 HydrophobicContact CG-CZ 4.16Å
272	V	95.6	Very high	89.7	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.012	31%	0.313	C	S	.	.			trans	-56.3	135.7	176.5	65.9	0	0	0	0	110.9	P254 F270 I275 D297 T300 F301	P254-V272 HydrophobicContact CB-CG1 3.8Å; P254-V272 HydrophobicContact CG-CG1 4.31Å; F270-V272 HydrophobicContact CB-CG1 4.39Å; F270-V272 HydrophobicContact CD2-CG1 3.88Å; F270-V272 WeakPolarHBondContact CD2-O 3.26Å; F270-V272 HydrophobicContact CG-CG1 4.5Å; V272-I275 HydrophobicContact CG1-CD1 4.11Å; V272-I275 HydrophobicContact CG1-CG1 3.94Å; V272-I275 HydrophobicContact CG2-CD1 4Å; V272-I275 HydrophobicContact CG2-CG1 4Å; V272-D297 WeakPolarHBondContact CB-OD1 3.43Å; V272-D297 PolarHBondContact N-OD1 3.11Å; V272-T300 HydrophobicContact CB-CG2 4.09Å; V272-T300 HydrophobicContact CG2-CG2 3.79Å; V272-F301 HydrophobicContact CB-CZ 4.24Å
273	E	93.7	Very high	90	Very high	7 Å²	7	51.2 Å²	51.2	3%	0.033	28%	0.283	C	S	.	.			trans	-104.8	140.9	-176.6	-59.3	-179.9	-128.5	0	0	111.4	M145 K149 E271 Y350 K353	M145-E273 HydrophobicContact SD-CG 4.42Å; K149-E273 WeakPolarHBondContact CE-OE2 3.34Å; K149-E273 IonicContact NZ-OE2 3.54Å; K149-E273 PolarHBondContact NZ-OE2 3.42Å; E271-E273 PolarHBondContact O-N 3.25Å; E273-Y350 HydrophobicContact CB-CE1 4.13Å; E273-Y350 HydrophobicContact CG-CE1 4.31Å; E273-K353 WeakPolarHBondContact OE1-CE 3.42Å; E273-K353 IonicContact OE1-NZ 3.37Å; E273-K353 PolarHBondContact OE1-NZ 3.47Å
274	G	92.2	Very high	90.2	Very high	19 Å²	19	44.7 Å²	44.7	20%	0.196	25%	0.253	C	S	.	.	S	Bend	trans	94.4	-8.1	169.3	0	0	0	0	0	116.3
275	I	95.3	Very high	90.6	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	24%	0.244	C	C	.	.	S	Bend	trans	-124.3	155.1	172.4	59.1	173.2	0	0	0	110.2	V227 P254 F270 V272 S321	V227-I275 WeakPolarHBondContact O-CA 3.27Å; V227-I275 WeakPolarHBondContact O-CB 3.49Å; P254-I275 HydrophobicContact CB-CD1 4.38Å; P254-I275 HydrophobicContact CB-CG1 4.5Å; P254-I275 HydrophobicContact CG-CD1 4.32Å; P254-I275 HydrophobicContact CG-CG1 4.01Å; F270-I275 WeakPolarHBondContact CE2-O 3.31Å; V272-I275 HydrophobicContact CG1-CD1 4.11Å; V272-I275 HydrophobicContact CG1-CG1 3.94Å; V272-I275 HydrophobicContact CG2-CD1 4Å; V272-I275 HydrophobicContact CG2-CG1 4Å; I275-S321 WeakPolarHBondContact CD1-OG 3.43Å
276	G	93.1	Very high	91.1	Very high	6 Å²	6	43.4 Å²	43.4	6%	0.062	24%	0.24	C	C	.	.			trans	78.2	145	-179.1	0	0	0	0	0	115.6	V227 S257	V227-G276 PolarHBondContact O-N 2.96Å; S257-G276 WeakPolarHBondContact OG-CA 3.47Å
277	Y	89	Confident	91.7	Very high	25 Å²	25	41.1 Å²	41.1	10%	0.098	25%	0.246	C	C	.	.			trans	-153.5	158.9	175.8	-78.9	-74.7	0	0	0	111.1	Y195 G228 S257 E258 I259 F279	Y195-Y277 HydrophobicContact CE1-CE1 4.04Å; Y195-Y277 HydrophobicContact CE1-CE2 4.03Å; Y195-Y277 AromaticContact CE1-CZ 3.65Å; Y195-Y277 PolarHBondContact OH-OH 3.5Å; G228-Y277 WeakPolarHBondContact O-CD2 3.47Å; S257-Y277 PolarHBondContact OG-N 2.89Å; S257-Y277 PolarHBondContact OG-O 3.34Å; E258-Y277 PolarHBondContact N-O 3.23Å; I259-Y277 HydrophobicContact CD1-CD2 4.1Å; Y277-F279 WeakPolarHBondContact CB-O 3.44Å; Y277-F279 HydrophobicContact CD1-CD1 4.25Å; Y277-F279 AromaticContact CD1-CE1 3.49Å; Y277-F279 HydrophobicContact CD1-CE1 3.49Å; Y277-F279 VanDerWaalsContact CD1-CE1 3.49Å; Y277-F279 AromaticContact CD1-CZ 3.97Å; Y277-F279 HydrophobicContact CD1-CZ 3.97Å; Y277-F279 HydrophobicContact CE1-CE1 4.21Å; Y277-F279 HydrophobicContact CE1-CZ 4.41Å; Y277-F279 HydrophobicContact CG-CD1 4.42Å; Y277-F279 AromaticContact CG-CE1 3.93Å; Y277-F279 HydrophobicContact CG-CE1 3.93Å; Y277-F279 HydrophobicContact CG-CZ 4.22Å; Y277-F279 PolarHBondContact O-N 3.25Å
278	D	87.9	Confident	92.5	Very high	67 Å²	67	34.4 Å²	34.4	36%	0.358	20%	0.2	S	C	.	.	S	Bend	trans	-83.7	16.2	169.8	64.6	-27.8	0	0	0	112.5	S169	S169-D278 VanDerWaalsContact CB-OD1 3.26Å; S169-D278 WeakPolarHBondContact CB-OD1 3.39Å; S169-D278 WeakPolarHBondContact CB-OD2 3.31Å; S169-D278 PolarHBondContact N-OD2 3.03Å; S169-D278 VanDerWaalsContact N-OD2 3.11Å; S169-D278 PolarHBondContact OG-OD1 3.36Å; S169-D278 PolarHBondContact OG-OD2 3.43Å
279	F	87.4	Confident	93.1	Very high	11 Å²	11	33.5 Å²	33.5	5%	0.048	19%	0.191	C	C	.	.	S	Bend	trans	-154.8	159.9	175.3	67.4	-83.1	0	0	0	110.2	S169 L176 Y195 Y277 P281	S169-F279 WeakPolarHBondContact OG-CD1 3.41Å; S169-F279 WeakPolarHBondContact OG-CE1 3.35Å; L176-F279 HydrophobicContact CD1-CE1 3.9Å; L176-F279 HydrophobicContact CD1-CZ 4.08Å; Y195-F279 HydrophobicContact CD1-CE2 4.06Å; Y195-F279 AromaticContact CD1-CZ 3.83Å; Y195-F279 HydrophobicContact CD1-CZ 3.83Å; Y195-F279 AromaticContact CE1-CZ 3.94Å; Y195-F279 HydrophobicContact CE1-CZ 3.94Å; Y195-F279 HydrophobicContact CG-CZ 4.41Å; Y277-F279 WeakPolarHBondContact CB-O 3.44Å; Y277-F279 HydrophobicContact CD1-CD1 4.25Å; Y277-F279 AromaticContact CD1-CE1 3.49Å; Y277-F279 HydrophobicContact CD1-CE1 3.49Å; Y277-F279 VanDerWaalsContact CD1-CE1 3.49Å; Y277-F279 AromaticContact CD1-CZ 3.97Å; Y277-F279 HydrophobicContact CD1-CZ 3.97Å; Y277-F279 HydrophobicContact CE1-CE1 4.21Å; Y277-F279 HydrophobicContact CE1-CZ 4.41Å; Y277-F279 HydrophobicContact CG-CD1 4.42Å; Y277-F279 AromaticContact CG-CE1 3.93Å; Y277-F279 HydrophobicContact CG-CE1 3.93Å; Y277-F279 HydrophobicContact CG-CZ 4.22Å; Y277-F279 PolarHBondContact O-N 3.25Å; F279-P281 HydrophobicContact CD2-CG 4.41Å; F279-P281 HydrophobicContact CE2-CB 4.29Å; F279-P281 HydrophobicContact CE2-CG 3.97Å; F279-P281 WeakPolarHBondContact O-CD 3.32Å
280	S	89.8	Confident	93.7	Very high	35 Å²	35	29.4 Å²	29.4	25%	0.245	17%	0.169	C	C	.	.			trans	-89	119.7	168	178.5	0	0	0	0	111.5	S17 H286	S17-S280 WeakPolarHBondContact CB-O 3.45Å; S280-H286 PolarHBondContact OG-CE1 2.91Å
281	P	91.1	Very high	93.9	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.013	17%	0.174	C	C	.	.			trans	-65.3	149	173.2	-20.1	33.4	0	0	0	112.5	Y195 T229 F279 V283 L284	Y195-P281 HydrophobicContact CD1-CB 4.28Å; Y195-P281 HydrophobicContact CD1-CG 4.31Å; T229-P281 VanDerWaalsContact O-CB 3.25Å; T229-P281 WeakPolarHBondContact O-CB 3.28Å; T229-P281 WeakPolarHBondContact O-CG 3.22Å; F279-P281 HydrophobicContact CD2-CG 4.41Å; F279-P281 HydrophobicContact CE2-CB 4.29Å; F279-P281 HydrophobicContact CE2-CG 3.97Å; F279-P281 WeakPolarHBondContact O-CD 3.32Å; P281-V283 VanDerWaalsContact C-N 3.27Å; P281-V283 HydrophobicContact CB-CG2 4.35Å; P281-V283 PolarHBondContact O-N 2.85Å; P281-L284 WeakPolarHBondContact O-CB 3.35Å; P281-L284 PolarHBondContact O-N 2.94Å
282	A	93	Very high	94.1	Very high	19 Å²	19	29.3 Å²	29.3	16%	0.157	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-19.5	-177.9	0	0	0	0	0	113.9	S21 Y195 R196 L284	S21-A282 WeakPolarHBondContact CB-O 3.37Å; Y195-A282 PolarHBondContact O-N 3.27Å; Y195-A282 VanDerWaalsContact O-N 3.12Å; R196-A282 HydrophobicContact CG-CB 4.1Å; A282-L284 VanDerWaalsContact C-N 3.3Å
283	V	95.2	Very high	94.2	Very high	11 Å²	11	29.9 Å²	29.9	7%	0.067	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.4	174.4	-63	0	0	0	0	113.4	Y195 P201 T229 T234 P281	Y195-V283 PolarHBondContact O-N 3.21Å; P201-V283 HydrophobicContact CG-CB 4.17Å; P201-V283 HydrophobicContact CG-CG1 4.31Å; T229-V283 WeakPolarHBondContact O-CG2 3.32Å; T234-V283 WeakPolarHBondContact CB-O 3.32Å; T234-V283 WeakPolarHBondContact CG2-O 3.16Å; T234-V283 PolarHBondContact OG1-O 3.18Å; P281-V283 VanDerWaalsContact C-N 3.27Å; P281-V283 HydrophobicContact CB-CG2 4.35Å; P281-V283 PolarHBondContact O-N 2.85Å
284	L	96.4	Very high	94.4	Very high	13 Å²	13	30.5 Å²	30.5	7%	0.068	17%	0.174	C	C	.	.			trans	-83	128.4	174.4	178.9	59.8	0	0	0	110.2	V227 L233 I259 P281 A282 W292	V227-L284 HydrophobicContact CG1-CD1 4.21Å; V227-L284 HydrophobicContact CG1-CD2 4.14Å; L233-L284 HydrophobicContact CD2-CD1 4.15Å; I259-L284 HydrophobicContact CG2-CD2 3.47Å; I259-L284 VanDerWaalsContact CG2-CD2 3.47Å; P281-L284 WeakPolarHBondContact O-CB 3.35Å; P281-L284 PolarHBondContact O-N 2.94Å; A282-L284 VanDerWaalsContact C-N 3.3Å; L284-W292 HydrophobicContact CD2-CH2 4.44Å
285	D	96.4	Very high	94.7	Very high	29 Å²	29	29.7 Å²	29.7	16%	0.155	17%	0.165	C	C	.	.			trans	-111.6	94.4	173.4	-173.9	-15.3	0	0	0	108.8	T234 R238 S287 L288	T234-D285 HydrophobicContact CG2-CB 3.72Å; T234-D285 PolarHBondContact OG1-N 3.38Å; R238-D285 IonicContact CZ-OD2 3.26Å; R238-D285 IonicContact NE-OD2 3.15Å; R238-D285 PolarHBondContact NE-OD2 2.94Å; R238-D285 IonicContact NH2-OD2 2.8Å; R238-D285 PolarHBondContact NH2-OD2 3.41Å; D285-S287 PolarHBondContact O-N 3.45Å; D285-S287 WeakPolarHBondContact OD1-CB 3.48Å; D285-S287 PolarHBondContact OD1-N 2.79Å; D285-S287 PolarHBondContact OD1-OG 3.14Å; D285-L288 HydrophobicContact CB-CD1 3.76Å; D285-L288 HydrophobicContact CB-CG 4.25Å; D285-L288 PolarHBondContact O-N 2.9Å
286	H	95.6	Very high	94.8	Very high	69 Å²	69	30.3 Å²	30.3	32%	0.319	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-61	-24.6	-178	-71.3	90.9	0	0	0	113.9	I259 S280 L288 V289 W292	I259-H286 PolarHBondContact O-NE2 3.19Å; S280-H286 PolarHBondContact OG-CE1 2.91Å; H286-L288 PolarHBondContact O-N 2.85Å; H286-L288 VanDerWaalsContact O-N 3.09Å; H286-V289 PolarHBondContact O-N 3.45Å; H286-V289 VanDerWaalsContact O-N 3.08Å; H286-W292 AromaticContact CD2-CZ2 3.67Å
287	S	95.5	Very high	95	Very high	98 Å²	98	30.9 Å²	30.9	69%	0.685	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-64.1	-16.2	-177.6	74.6	0	0	0	0	113.3	D285	D285-S287 PolarHBondContact O-N 3.45Å; D285-S287 WeakPolarHBondContact OD1-CB 3.48Å; D285-S287 PolarHBondContact OD1-N 2.79Å; D285-S287 PolarHBondContact OD1-OG 3.14Å
288	L	97.4	Very high	95.3	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.016	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-83.3	-14	178.7	-60.4	167.8	0	0	0	113.3	W25 L233 T234 R238 K241 I249 D285 H286	W25-L288 HydrophobicContact CH2-CD2 3.84Å; W25-L288 HydrophobicContact CZ3-CD2 3.91Å; L233-L288 HydrophobicContact CD2-CB 4.36Å; T234-L288 HydrophobicContact CG2-CD1 4.1Å; R238-L288 HydrophobicContact CG-CD1 3.64Å; R238-L288 HydrophobicContact CG-CD2 4.19Å; K241-L288 HydrophobicContact CG-CD2 3.81Å; I249-L288 WeakPolarHBondContact CB-O 3.48Å; I249-L288 WeakPolarHBondContact CD1-O 3.39Å; D285-L288 HydrophobicContact CB-CD1 3.76Å; D285-L288 HydrophobicContact CB-CG 4.25Å; D285-L288 PolarHBondContact O-N 2.9Å; H286-L288 PolarHBondContact O-N 2.85Å; H286-L288 VanDerWaalsContact O-N 3.09Å
289	V	97.8	Very high	95.8	Very high	20 Å²	20	30.5 Å²	30.5	12%	0.121	18%	0.175	C	C	.	.			trans	-89.9	113.9	-172.9	-172.5	0	0	0	0	110.5	L233 H286 Q291 W292	L233-V289 HydrophobicContact CD1-CG2 3.73Å; L233-V289 HydrophobicContact CD2-CG2 3.54Å; L233-V289 HydrophobicContact CG-CG2 4.27Å; H286-V289 PolarHBondContact O-N 3.45Å; H286-V289 VanDerWaalsContact O-N 3.08Å; V289-Q291 WeakPolarHBondContact CG1-O 3.2Å; V289-W292 HydrophobicContact CB-CZ2 4.14Å; V289-W292 HydrophobicContact CG1-CD2 3.92Å; V289-W292 HydrophobicContact CG1-CG 4Å; V289-W292 HydrophobicContact CG1-CZ2 4.15Å; V289-W292 HydrophobicContact CG2-CH2 4.31Å; V289-W292 HydrophobicContact CG2-CZ2 3.63Å
290	D	97.8	Very high	96.3	Very high	80 Å²	80	30 Å²	30	43%	0.428	17%	0.173	S	C	.	.	S	Bend	trans	-81.9	-24.4	178.8	-56	-63.6	0	0	0	112	K241 K248 I249	K241-D290 IonicContact NZ-OD1 2.66Å; K241-D290 PolarHBondContact NZ-OD1 2.94Å; K241-D290 IonicContact NZ-OD2 3.49Å; K241-D290 PolarHBondContact NZ-OD2 3.22Å; K248-D290 WeakPolarHBondContact CA-OD2 3.34Å; K248-D290 HydrophobicContact CG-CB 3.84Å; I249-D290 PolarHBondContact N-OD2 2.74Å; I249-D290 PolarHBondContact O-N 3.25Å
291	Q	97.6	Very high	96.7	Very high	63 Å²	63	28.6 Å²	28.6	29%	0.294	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	138	175.9	176.7	179.4	-15.7	0	0	111.4	K248 I249 V250 G251 V289 V293	K248-Q291 VanDerWaalsContact CE-OE1 3.23Å; I249-Q291 PolarHBondContact O-N 2.97Å; V250-Q291 CarbonylContact C-O 3.57Å; V250-Q291 VanDerWaalsContact CA-O 3.27Å; V250-Q291 WeakPolarHBondContact CA-O 3.3Å; V250-Q291 HydrophobicContact CG2-CB 4.41Å; G251-Q291 PolarHBondContact N-O 3.46Å; V289-Q291 WeakPolarHBondContact CG1-O 3.2Å; Q291-V293 HydrophobicContact CG-CG2 4.41Å
292	W	98.1	Very high	97	Very high	31 Å²	31	33.3 Å²	33.3	12%	0.117	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	143.6	167.6	-72.6	94.3	0	0	0	111.2	V227 G251 D253 I259 A260 L264 L284 H286 V289	V227-W292 HydrophobicContact CB-CH2 4.25Å; V227-W292 HydrophobicContact CB-CZ3 4.02Å; V227-W292 HydrophobicContact CG1-CH2 4.14Å; V227-W292 HydrophobicContact CG1-CZ3 4.39Å; V227-W292 HydrophobicContact CG2-CH2 3.89Å; V227-W292 HydrophobicContact CG2-CZ3 3.65Å; G251-W292 CarbonylContact O-C 3.58Å; G251-W292 WeakPolarHBondContact O-CA 3.5Å; D253-W292 HydrophobicContact CB-CE3 4.03Å; D253-W292 HydrophobicContact CB-CZ3 4.05Å; I259-W292 HydrophobicContact CG2-CH2 3.65Å; I259-W292 HydrophobicContact CG2-CZ2 4.48Å; I259-W292 HydrophobicContact CG2-CZ3 4.04Å; A260-W292 HydrophobicContact CB-CB 4.24Å; A260-W292 HydrophobicContact CB-CD2 3.87Å; A260-W292 HydrophobicContact CB-CE3 3.81Å; A260-W292 HydrophobicContact CB-CG 4.08Å; A260-W292 HydrophobicContact CB-CZ3 4.45Å; L264-W292 HydrophobicContact CD1-CB 3.55Å; L284-W292 HydrophobicContact CD2-CH2 4.44Å; H286-W292 AromaticContact CD2-CZ2 3.67Å; V289-W292 HydrophobicContact CB-CZ2 4.14Å; V289-W292 HydrophobicContact CG1-CD2 3.92Å; V289-W292 HydrophobicContact CG1-CG 4Å; V289-W292 HydrophobicContact CG1-CZ2 4.15Å; V289-W292 HydrophobicContact CG2-CH2 4.31Å; V289-W292 HydrophobicContact CG2-CZ2 3.63Å
293	V	98	Very high	97.3	Very high	14 Å²	14	32.5 Å²	32.5	9%	0.085	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.7	171.9	179.7	0	0	0	0	108.9	V250 G251 V252 D253 Q291 W324 A325	V250-V293 HydrophobicContact CG1-CG2 3.75Å; G251-V293 PolarHBondContact O-N 2.58Å; V252-V293 WeakPolarHBondContact CA-O 3.25Å; D253-V293 PolarHBondContact N-O 2.77Å; Q291-V293 HydrophobicContact CG-CG2 4.41Å; V293-W324 HydrophobicContact CG1-CE3 4.44Å; V293-W324 HydrophobicContact CG1-CZ3 3.93Å; V293-A325 HydrophobicContact CB-CB 3.88Å; V293-A325 HydrophobicContact CG1-CB 3.65Å; V293-A325 HydrophobicContact CG2-CB 4.35Å
294	K	97.9	Very high	97.5	Very high	20 Å²	20	32 Å²	32	9%	0.087	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	142.5	171.4	-60.9	-69.7	-80.8	-179.5	0	110.3	D253 P254 E255 S257 A260 L264	D253-K294 HydrophobicContact CB-CD 4.08Å; D253-K294 VanDerWaalsContact O-CA 3.26Å; D253-K294 WeakPolarHBondContact O-CA 3.48Å; D253-K294 IonicContact OD2-NZ 3.87Å; D253-K294 PolarHBondContact OD2-NZ 3.4Å; P254-K294 WeakPolarHBondContact O-CE 3.17Å; P254-K294 PolarHBondContact O-NZ 3.43Å; E255-K294 HydrophobicContact CG-CB 4.37Å; S257-K294 PolarHBondContact O-NZ 3.33Å; A260-K294 HydrophobicContact CB-CD 4.01Å; L264-K294 HydrophobicContact CB-CD 4.38Å; L264-K294 HydrophobicContact CB-CG 3.92Å; L264-K294 WeakPolarHBondContact O-CG 3.45Å
295	V	97.7	Very high	97.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	136.6	-176.2	64.8	0	0	0	0	111.5	V252 D253 P254 E255 D299 W324	V252-V295 HydrophobicContact CG1-CG1 3.89Å; D253-V295 PolarHBondContact O-N 3.17Å; P254-V295 WeakPolarHBondContact CA-O 3.4Å; E255-V295 PolarHBondContact N-O 2.92Å; V295-D299 HydrophobicContact CG2-CB 3.91Å; V295-W324 HydrophobicContact CB-CE3 4.31Å; V295-W324 HydrophobicContact CG2-CD2 4.15Å; V295-W324 HydrophobicContact CG2-CE3 3.81Å; V295-W324 HydrophobicContact CG2-CG 4.48Å; V295-W324 HydrophobicContact CG2-CZ3 4.36Å
296	S	97.3	Very high	97.6	Very high	20 Å²	20	34.3 Å²	34.3	14%	0.14	18%	0.18	C	C	.	.			trans	-79.8	160.5	175.6	75	0	0	0	0	111.1	E255 A298 D299 T300	E255-S296 WeakPolarHBondContact OE2-CB 3.48Å; S296-A298 VanDerWaalsContact C-N 3.29Å; S296-A298 PolarHBondContact O-N 3.26Å; S296-D299 WeakPolarHBondContact OG-CB 3.43Å; S296-D299 PolarHBondContact OG-N 2.98Å; S296-D299 VanDerWaalsContact OG-N 3.11Å; S296-D299 PolarHBondContact OG-OD2 2.71Å; S296-T300 VanDerWaalsContact O-CB 3.27Å; S296-T300 WeakPolarHBondContact O-CB 3.26Å; S296-T300 PolarHBondContact O-N 2.83Å; S296-T300 PolarHBondContact O-OG1 3.39Å
297	D	97.3	Very high	97.8	Very high	18 Å²	18	31 Å²	31	10%	0.096	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-36.1	171.5	-81.3	-28.6	0	0	0	112.2	F270 E271 V272 D299 T300 F301 F365	F270-D297 VanDerWaalsContact CA-OD2 3.24Å; F270-D297 WeakPolarHBondContact CA-OD2 3.39Å; E271-D297 WeakPolarHBondContact CB-OD2 3.15Å; E271-D297 PolarHBondContact N-OD1 3.31Å; E271-D297 PolarHBondContact N-OD2 3.4Å; V272-D297 WeakPolarHBondContact CB-OD1 3.43Å; V272-D297 PolarHBondContact N-OD1 3.11Å; D297-D299 PolarHBondContact O-N 3.18Å; D297-T300 WeakPolarHBondContact O-CB 3.28Å; D297-T300 PolarHBondContact O-N 3.13Å; D297-F301 HydrophobicContact CB-CD2 4.06Å; D297-F301 HydrophobicContact CB-CE2 3.72Å; D297-F301 WeakPolarHBondContact O-CD2 3.37Å; D297-F301 PolarHBondContact O-N 3.12Å; D297-F365 HydrophobicContact CB-CD1 4.37Å; D297-F365 HydrophobicContact CB-CE1 3.54Å; D297-F365 HydrophobicContact CB-CE2 4.05Å; D297-F365 HydrophobicContact CB-CZ 3.34Å
298	A	96.8	Very high	97.9	Very high	29 Å²	29	28.3 Å²	28.3	24%	0.24	14%	0.143	C	C	.	.	H	α-helix	trans	-60.7	-47.8	179.2	0	0	0	0	0	111.2	S296 K302 F365	S296-A298 VanDerWaalsContact C-N 3.29Å; S296-A298 PolarHBondContact O-N 3.26Å; A298-K302 WeakPolarHBondContact O-CB 3.3Å; A298-K302 WeakPolarHBondContact O-CD 3.5Å; A298-K302 WeakPolarHBondContact O-CG 3.49Å; A298-K302 PolarHBondContact O-N 2.88Å; A298-K302 VanDerWaalsContact O-N 3.15Å; A298-F365 HydrophobicContact CB-CD1 3.96Å
299	D	97.8	Very high	97.9	Very high	55 Å²	55	33.5 Å²	33.5	29%	0.294	17%	0.17	S	C	.	.	H	α-helix	trans	-64.4	-41.7	174.9	-72.8	-51.3	0	0	0	111.9	V295 S296 D297 M303 W324	V295-D299 HydrophobicContact CG2-CB 3.91Å; S296-D299 WeakPolarHBondContact OG-CB 3.43Å; S296-D299 PolarHBondContact OG-N 2.98Å; S296-D299 VanDerWaalsContact OG-N 3.11Å; S296-D299 PolarHBondContact OG-OD2 2.71Å; D297-D299 PolarHBondContact O-N 3.18Å; D299-M303 VanDerWaalsContact O-CB 3.31Å; D299-M303 WeakPolarHBondContact O-CB 3.42Å; D299-M303 PolarHBondContact O-N 2.56Å; D299-W324 HydrophobicContact CB-CD2 4.04Å; D299-W324 HydrophobicContact CB-CG 4.01Å; D299-W324 HydrophobicContact CB-CZ2 4.34Å; D299-W324 VanDerWaalsContact CG-NE1 3.27Å; D299-W324 PolarHBondContact OD1-NE1 3.02Å
300	T	98.6	Very high	97.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.3	-55.4	179.7	-70.7	0	0	0	0	111.7	V272 S296 D297 A304 G317 G320 S321	V272-T300 HydrophobicContact CB-CG2 4.09Å; V272-T300 HydrophobicContact CG2-CG2 3.79Å; S296-T300 VanDerWaalsContact O-CB 3.27Å; S296-T300 WeakPolarHBondContact O-CB 3.26Å; S296-T300 PolarHBondContact O-N 2.83Å; S296-T300 PolarHBondContact O-OG1 3.39Å; D297-T300 WeakPolarHBondContact O-CB 3.28Å; D297-T300 PolarHBondContact O-N 3.13Å; T300-A304 WeakPolarHBondContact O-CB 3.41Å; T300-A304 PolarHBondContact O-N 3.4Å; T300-G317 WeakPolarHBondContact CG2-O 3.38Å; T300-G320 WeakPolarHBondContact O-CA 3.35Å; T300-S321 WeakPolarHBondContact CB-OG 3.22Å; T300-S321 WeakPolarHBondContact CG2-OG 3.22Å; T300-S321 PolarHBondContact OG1-OG 2.85Å
301	F	98.4	Very high	97.9	Very high	5 Å²	5	31.9 Å²	31.9	2%	0.022	16%	0.158	C	C	.	.	H	α-helix	trans	-77	-33.8	-173.3	-62.5	-50.7	0	0	0	112.4	E271 V272 D297 A304 R305 F354 W359 M360 F365	E271-F301 HydrophobicContact CB-CE2 3.87Å; E271-F301 HydrophobicContact CB-CZ 3.94Å; V272-F301 HydrophobicContact CB-CZ 4.24Å; D297-F301 HydrophobicContact CB-CD2 4.06Å; D297-F301 HydrophobicContact CB-CE2 3.72Å; D297-F301 WeakPolarHBondContact O-CD2 3.37Å; D297-F301 PolarHBondContact O-N 3.12Å; F301-A304 PolarHBondContact O-N 3.01Å; F301-R305 VanDerWaalsContact O-CG 3.29Å; F301-R305 WeakPolarHBondContact O-CG 3.26Å; F301-R305 PolarHBondContact O-N 3.13Å; F301-F354 HydrophobicContact CB-CB 3.96Å; F301-F354 HydrophobicContact CD1-CB 3.41Å; F301-F354 VanDerWaalsContact CD1-CB 3.41Å; F301-F354 AromaticContact CD1-CD1 3.99Å; F301-F354 HydrophobicContact CD1-CD1 3.99Å; F301-F354 HydrophobicContact CD1-CD2 4.44Å; F301-F354 AromaticContact CD1-CG 3.71Å; F301-F354 HydrophobicContact CD1-CG 3.71Å; F301-F354 HydrophobicContact CE1-CB 4.05Å; F301-F354 HydrophobicContact CE1-CD1 4.24Å; F301-F354 HydrophobicContact CE1-CG 4.35Å; F301-F354 HydrophobicContact CG-CB 3.75Å; F301-F354 HydrophobicContact CG-CG 4.41Å; F301-W359 HydrophobicContact CD2-CH2 4.26Å; F301-W359 HydrophobicContact CD2-CZ3 4.06Å; F301-W359 AromaticContact CE2-CH2 3.72Å; F301-W359 HydrophobicContact CE2-CH2 3.72Å; F301-W359 AromaticContact CE2-CZ3 3.99Å; F301-W359 HydrophobicContact CE2-CZ3 3.99Å; F301-W359 HydrophobicContact CG-CZ3 4.49Å; F301-W359 AromaticContact CZ-CH2 3.92Å; F301-W359 HydrophobicContact CZ-CH2 3.92Å; F301-W359 HydrophobicContact CZ-CZ3 4.36Å; F301-M360 HydrophobicContact CB-CE 3.63Å; F301-M360 HydrophobicContact CB-SD 3.69Å; F301-M360 HydrophobicContact CG-SD 4.26Å; F301-F365 AromaticContact CD2-CD2 3.51Å; F301-F365 HydrophobicContact CD2-CD2 3.51Å; F301-F365 AromaticContact CD2-CE2 3.54Å; F301-F365 HydrophobicContact CD2-CE2 3.54Å; F301-F365 HydrophobicContact CD2-CG 4.26Å; F301-F365 HydrophobicContact CD2-CZ 4.31Å; F301-F365 AromaticContact CE2-CD2 3.98Å; F301-F365 HydrophobicContact CE2-CD2 3.98Å; F301-F365 AromaticContact CE2-CE2 3.5Å; F301-F365 HydrophobicContact CE2-CE2 3.5Å; F301-F365 VanDerWaalsContact CE2-CE2 3.5Å; F301-F365 HydrophobicContact CE2-CZ 4.15Å
302	K	97.5	Very high	97.9	Very high	101 Å²	101	31.4 Å²	31.4	44%	0.439	17%	0.17	S	C	.	.	H	α-helix	trans	-59.2	-49.9	171.5	-73.6	176	-175.8	-177.5	0	111	A298 A304 R305 E306 F365	A298-K302 WeakPolarHBondContact O-CB 3.3Å; A298-K302 WeakPolarHBondContact O-CD 3.5Å; A298-K302 WeakPolarHBondContact O-CG 3.49Å; A298-K302 PolarHBondContact O-N 2.88Å; A298-K302 VanDerWaalsContact O-N 3.15Å; K302-A304 PolarHBondContact O-N 3.1Å; K302-R305 PolarHBondContact O-N 3.45Å; K302-E306 WeakPolarHBondContact O-CG 3.14Å; K302-E306 PolarHBondContact O-N 2.81Å; K302-F365 WeakPolarHBondContact CE-O 3.46Å
303	M	98.5	Very high	97.9	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-64.1	-38.9	178	-177.6	57.5	68.3	0	0	112.6	I67 Y71 D299 R305 E306 L307 G320 V323 W324	I67-M303 HydrophobicContact CD1-SD 4.22Å; Y71-M303 HydrophobicContact CE1-CE 4.45Å; Y71-M303 HydrophobicContact CE2-CE 3.74Å; Y71-M303 VanDerWaalsContact OH-CE 3.32Å; Y71-M303 WeakPolarHBondContact OH-CE 3.19Å; D299-M303 VanDerWaalsContact O-CB 3.31Å; D299-M303 WeakPolarHBondContact O-CB 3.42Å; D299-M303 PolarHBondContact O-N 2.56Å; M303-R305 VanDerWaalsContact C-N 3.29Å; M303-R305 PolarHBondContact O-N 3.13Å; M303-E306 PolarHBondContact O-N 2.9Å; M303-E306 HydrophobicContact SD-CB 4.4Å; M303-L307 WeakPolarHBondContact O-CG 3.46Å; M303-L307 PolarHBondContact O-N 3.42Å; M303-G320 WeakPolarHBondContact CB-O 3.46Å; M303-G320 VanDerWaalsContact CG-O 3.24Å; M303-G320 WeakPolarHBondContact CG-O 3.39Å; M303-V323 HydrophobicContact CE-CG1 4.45Å; M303-V323 HydrophobicContact CG-CB 3.9Å; M303-V323 HydrophobicContact CG-CG1 3.96Å; M303-V323 HydrophobicContact SD-CB 4.24Å; M303-V323 HydrophobicContact SD-CG1 3.61Å; M303-W324 HydrophobicContact CB-CB 4.04Å; M303-W324 HydrophobicContact CE-CB 4.38Å; M303-W324 HydrophobicContact CG-CB 4.05Å
304	A	98.7	Very high	98	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.9	-40.3	175.5	0	0	0	0	0	111.9	T300 F301 K302 L307 I308 F354	T300-A304 WeakPolarHBondContact O-CB 3.41Å; T300-A304 PolarHBondContact O-N 3.4Å; F301-A304 PolarHBondContact O-N 3.01Å; K302-A304 PolarHBondContact O-N 3.1Å; A304-L307 PolarHBondContact O-N 2.88Å; A304-I308 WeakPolarHBondContact O-CG1 3.41Å; A304-I308 PolarHBondContact O-N 3.1Å; A304-F354 HydrophobicContact CB-CD2 4.15Å; A304-F354 HydrophobicContact CB-CE2 3.65Å; A304-F354 HydrophobicContact CB-CZ 4.02Å
305	R	98.2	Very high	98	Very high	46 Å²	46	33.4 Å²	33.4	17%	0.174	18%	0.182	C	C	.	.	H	α-helix	trans	-69.9	-36.7	175.3	-65.6	-175.2	74.1	172.5	12.1	112.6	F301 K302 M303 I308 L309 F354 D357 T372	F301-R305 VanDerWaalsContact O-CG 3.29Å; F301-R305 WeakPolarHBondContact O-CG 3.26Å; F301-R305 PolarHBondContact O-N 3.13Å; K302-R305 PolarHBondContact O-N 3.45Å; M303-R305 VanDerWaalsContact C-N 3.29Å; M303-R305 PolarHBondContact O-N 3.13Å; R305-I308 PolarHBondContact O-N 2.88Å; R305-L309 WeakPolarHBondContact O-CB 3.46Å; R305-L309 PolarHBondContact O-N 2.87Å; R305-F354 WeakPolarHBondContact CD-O 3.37Å; R305-F354 HydrophobicContact CG-CD2 3.81Å; R305-F354 HydrophobicContact CG-CE2 4.16Å; R305-D357 IonicContact CZ-OD1 3.65Å; R305-D357 IonicContact NH1-OD1 3.66Å; R305-D357 PolarHBondContact NH1-OD1 3.29Å; R305-D357 IonicContact NH2-OD1 2.77Å; R305-D357 PolarHBondContact NH2-OD1 3.35Å; R305-T372 PolarHBondContact NH2-OG1 3.33Å
306	E	97.5	Very high	98	Very high	45 Å²	45	33.3 Å²	33.3	21%	0.21	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-40.2	173.5	-73.2	-169	-164.2	0	0	112.7	I67 Y71 K302 M303 I308 L309 K310	I67-E306 HydrophobicContact CD1-CB 4.06Å; Y71-E306 PolarHBondContact OH-OE2 2.88Å; K302-E306 WeakPolarHBondContact O-CG 3.14Å; K302-E306 PolarHBondContact O-N 2.81Å; M303-E306 PolarHBondContact O-N 2.9Å; M303-E306 HydrophobicContact SD-CB 4.4Å; E306-I308 VanDerWaalsContact C-N 3.27Å; E306-I308 PolarHBondContact O-N 2.89Å; E306-L309 PolarHBondContact O-N 3.33Å; E306-K310 HydrophobicContact CB-CD 4.2Å; E306-K310 VanDerWaalsContact O-CB 3.24Å; E306-K310 WeakPolarHBondContact O-CB 3.47Å; E306-K310 WeakPolarHBondContact O-CG 3.37Å; E306-K310 PolarHBondContact O-N 3.19Å; E306-K310 IonicContact OE1-NZ 3.52Å; E306-K310 IonicContact OE2-NZ 3.69Å; E306-K310 PolarHBondContact OE2-NZ 3.17Å
307	L	98.5	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.	I	π-helix	trans	-58.1	-41.3	174.7	-76.2	169	0	0	0	112.1	M64 I67 M303 A304 E311 G312 L313 C315 V323	M64-L307 HydrophobicContact SD-CD2 3.55Å; M64-L307 VanDerWaalsContact SD-CD2 3.55Å; I67-L307 HydrophobicContact CG1-CD2 4.39Å; M303-L307 WeakPolarHBondContact O-CG 3.46Å; M303-L307 PolarHBondContact O-N 3.42Å; A304-L307 PolarHBondContact O-N 2.88Å; L307-E311 CarbonylContact O-C 3.54Å; L307-E311 WeakPolarHBondContact O-CA 3.31Å; L307-E311 WeakPolarHBondContact O-CB 3.42Å; L307-E311 PolarHBondContact O-N 2.94Å; L307-G312 PolarHBondContact O-N 3.22Å; L307-L313 HydrophobicContact CD2-CD1 4.34Å; L307-L313 PolarHBondContact O-N 2.77Å; L307-C315 VanDerWaalsContact CD1-SG 3.51Å; L307-V323 HydrophobicContact CD1-CB 4.04Å; L307-V323 HydrophobicContact CD1-CG2 3.71Å; L307-V323 HydrophobicContact CD2-CB 4.42Å; L307-V323 HydrophobicContact CD2-CG1 4.13Å; L307-V323 HydrophobicContact CD2-CG2 4.01Å; L307-V323 HydrophobicContact CG-CG2 4.38Å
308	I	98.3	Very high	98.1	Very high	42 Å²	42	31.8 Å²	31.8	22%	0.215	17%	0.173	C	C	.	.	I	π-helix	trans	-65.7	-52.7	176.3	-64.9	164.4	0	0	0	110.1	A304 R305 E306 G312 L313 L314 V347 F354 L355	A304-I308 WeakPolarHBondContact O-CG1 3.41Å; A304-I308 PolarHBondContact O-N 3.1Å; R305-I308 PolarHBondContact O-N 2.88Å; E306-I308 VanDerWaalsContact C-N 3.27Å; E306-I308 PolarHBondContact O-N 2.89Å; I308-G312 VanDerWaalsContact O-CA 3.28Å; I308-G312 WeakPolarHBondContact O-CA 3.47Å; I308-G312 PolarHBondContact O-N 3.2Å; I308-G312 VanDerWaalsContact O-N 3.1Å; I308-L313 WeakPolarHBondContact CG1-O 3.43Å; I308-L314 HydrophobicContact CG2-CD2 3.98Å; I308-V347 HydrophobicContact CD1-CG1 3.65Å; I308-V347 HydrophobicContact CG1-CG1 4.31Å; I308-F354 HydrophobicContact CD1-CE2 4.08Å; I308-F354 HydrophobicContact CD1-CZ 4.45Å; I308-L355 HydrophobicContact CD1-CD2 3.54Å
309	L	97	Very high	98.2	Very high	112 Å²	112	30.4 Å²	30.4	59%	0.586	16%	0.161	S	C	*	.	I	π-helix	trans	-66.2	-44.3	-173.8	178	61.7	0	0	0	112.6	R305 E306	R305-L309 WeakPolarHBondContact O-CB 3.46Å; R305-L309 PolarHBondContact O-N 2.87Å; E306-L309 PolarHBondContact O-N 3.33Å
310	K	97.6	Very high	98.2	Very high	42 Å²	42	27.8 Å²	27.8	18%	0.183	15%	0.147	C	C	.	.	I	π-helix	trans	-90.8	-47.8	-170.1	-60	173.2	-174	173.5	0	110.2	R66 I67 E70 E306	R66-K310 HydrophobicContact CB-CB 4.22Å; R66-K310 WeakPolarHBondContact CD-O 3.29Å; R66-K310 PolarHBondContact NE-O 2.97Å; I67-K310 HydrophobicContact CD1-CB 4.37Å; I67-K310 HydrophobicContact CD1-CD 3.75Å; E70-K310 IonicContact OE1-NZ 3.09Å; E70-K310 PolarHBondContact OE1-NZ 3.04Å; E70-K310 VanDerWaalsContact OE2-CD 3.26Å; E70-K310 WeakPolarHBondContact OE2-CD 3.45Å; E70-K310 WeakPolarHBondContact OE2-CE 3.45Å; E70-K310 IonicContact OE2-NZ 2.84Å; E70-K310 PolarHBondContact OE2-NZ 3.17Å; E306-K310 HydrophobicContact CB-CD 4.2Å; E306-K310 VanDerWaalsContact O-CB 3.24Å; E306-K310 WeakPolarHBondContact O-CB 3.47Å; E306-K310 WeakPolarHBondContact O-CG 3.37Å; E306-K310 PolarHBondContact O-N 3.19Å; E306-K310 IonicContact OE1-NZ 3.52Å; E306-K310 IonicContact OE2-NZ 3.69Å; E306-K310 PolarHBondContact OE2-NZ 3.17Å
311	E	98.3	Very high	98.3	Very high	24 Å²	24	27.8 Å²	27.8	11%	0.112	15%	0.147	C	C	.	.	I	π-helix	trans	-100.6	-7.8	-173.3	-52.7	-62.8	-171.6	0	0	114.5	M64 D65 R66 I67 L307 L313	M64-E311 WeakPolarHBondContact CA-OE1 3.31Å; M64-E311 HydrophobicContact CB-CG 4.24Å; M64-E311 HydrophobicContact CG-CG 4.3Å; D65-E311 PolarHBondContact N-OE1 2.61Å; R66-E311 WeakPolarHBondContact CA-OE1 3.35Å; R66-E311 WeakPolarHBondContact CB-OE1 3.3Å; R66-E311 IonicContact CZ-OE2 3.93Å; R66-E311 PolarHBondContact N-OE1 3.28Å; R66-E311 IonicContact NH1-OE2 2.89Å; R66-E311 PolarHBondContact NH1-OE2 3.49Å; I67-E311 HydrophobicContact CG1-CG 3.81Å; I67-E311 PolarHBondContact N-OE1 3.23Å; L307-E311 CarbonylContact O-C 3.54Å; L307-E311 WeakPolarHBondContact O-CA 3.31Å; L307-E311 WeakPolarHBondContact O-CB 3.42Å; L307-E311 PolarHBondContact O-N 2.94Å; E311-L313 HydrophobicContact CB-CB 4.48Å; E311-L313 HydrophobicContact CB-CD1 3.92Å; E311-L313 HydrophobicContact CB-CG 3.78Å; E311-L313 PolarHBondContact O-N 3.26Å
312	G	98.1	Very high	98.3	Very high	53 Å²	53	27.5 Å²	27.5	55%	0.546	15%	0.146	S	C	.	.			trans	67.3	18.8	-174.9	0	0	0	0	0	113.1	L307 I308 L314	L307-G312 PolarHBondContact O-N 3.22Å; I308-G312 VanDerWaalsContact O-CA 3.28Å; I308-G312 WeakPolarHBondContact O-CA 3.47Å; I308-G312 PolarHBondContact O-N 3.2Å; I308-G312 VanDerWaalsContact O-N 3.1Å; G312-L314 PolarHBondContact O-N 2.82Å
313	L	98.6	Very high	98.3	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.042	13%	0.125	C	C	.	.			trans	-88.9	101.5	-179.4	-62	178.6	0	0	0	109.5	I62 M64 A79 F83 L307 I308 E311 C315 L343	I62-L313 HydrophobicContact CB-CD2 4.46Å; I62-L313 HydrophobicContact CD1-CD2 3.87Å; I62-L313 HydrophobicContact CG2-CD2 4.2Å; M64-L313 HydrophobicContact CG-CD1 3.97Å; M64-L313 HydrophobicContact SD-CD1 3.96Å; A79-L313 HydrophobicContact CB-CD1 4.24Å; F83-L313 HydrophobicContact CZ-CB 4.36Å; F83-L313 HydrophobicContact CZ-CD2 4.24Å; L307-L313 HydrophobicContact CD2-CD1 4.34Å; L307-L313 PolarHBondContact O-N 2.77Å; I308-L313 WeakPolarHBondContact CG1-O 3.43Å; E311-L313 HydrophobicContact CB-CB 4.48Å; E311-L313 HydrophobicContact CB-CD1 3.92Å; E311-L313 HydrophobicContact CB-CG 3.78Å; E311-L313 PolarHBondContact O-N 3.26Å; L313-C315 PolarHBondContact O-N 3.37Å; L313-C315 PolarHBondContact O-SG 3.19Å; L313-C315 VanDerWaalsContact O-SG 3.41Å; L313-L343 HydrophobicContact CD1-CD1 3.87Å
314	L	98.6	Very high	98.4	Very high	98 Å²	98	25 Å²	25	51%	0.513	13%	0.134	S	C	.	.			trans	-74.8	61	-178.3	-58.1	-177.4	0	0	0	112.6	I308 G312 G346 V347	I308-L314 HydrophobicContact CG2-CD2 3.98Å; G312-L314 PolarHBondContact O-N 2.82Å; L314-G346 WeakPolarHBondContact O-CA 3.35Å; L314-V347 HydrophobicContact CB-CG1 4.31Å; L314-V347 HydrophobicContact CB-CG2 3.94Å; L314-V347 PolarHBondContact O-N 2.85Å
315	C	98.5	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-103.5	161.6	-173.7	66.6	0	0	0	0	113.6	F83 L307 L313 S319 L343 D345 V347	F83-C315 HydrophobicContact CD1-CB 3.82Å; F83-C315 HydrophobicContact CE1-CB 3.73Å; F83-C315 HydrophobicContact CZ-CB 4.46Å; L307-C315 VanDerWaalsContact CD1-SG 3.51Å; L313-C315 PolarHBondContact O-N 3.37Å; L313-C315 PolarHBondContact O-SG 3.19Å; L313-C315 VanDerWaalsContact O-SG 3.41Å; C315-S319 WeakPolarHBondContact CB-OG 3.13Å; C315-S319 WeakPolarHBondContact SG-CB 3.25Å; C315-L343 HydrophobicContact CB-CD1 4.5Å; C315-D345 CarbonylContact C-O 3.55Å; C315-D345 WeakPolarHBondContact CA-O 3.18Å; C315-V347 VanDerWaalsContact O-CG1 3.24Å; C315-V347 WeakPolarHBondContact O-CG1 3.41Å
316	G	98.3	Very high	98.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.126	C	C	.	.			trans	-85	178.8	-177.9	0	0	0	0	0	115.1	S318 S319 D345	G316-S318 PolarHBondContact O-N 2.85Å; G316-S319 WeakPolarHBondContact O-CB 3.49Å; G316-S319 PolarHBondContact O-N 3.08Å; G316-S319 PolarHBondContact O-OG 3.4Å; G316-D345 PolarHBondContact N-O 2.8Å
317	G	98.1	Very high	98.4	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-55	-48.4	-175.9	0	0	0	0	0	113.8	T300 S319 G320 S321	T300-G317 WeakPolarHBondContact CG2-O 3.38Å; G317-S319 PolarHBondContact O-N 2.88Å; G317-G320 WeakPolarHBondContact O-CA 3.47Å; G317-G320 PolarHBondContact O-N 3.41Å; G317-S321 PolarHBondContact O-N 3.07Å; G317-S321 VanDerWaalsContact O-N 3.15Å
318	S	98.3	Very high	98.4	Very high	4 Å²	4	23.7 Å²	23.7	3%	0.028	13%	0.13	C	C	.	.	H	α-helix	trans	-60.5	-21.6	179.8	65.5	0	0	0	0	114.3	G316 S321 A322 P344	G316-S318 PolarHBondContact O-N 2.85Å; S318-S321 WeakPolarHBondContact O-CB 3.39Å; S318-A322 PolarHBondContact O-N 3.08Å; S318-A322 VanDerWaalsContact O-N 3.12Å; S318-P344 WeakPolarHBondContact OG-CG 3.44Å
319	S	98.9	Very high	98.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-70.3	-40.1	171.6	-54	0	0	0	0	111.2	C315 G316 G317 A322 V323 L343 P344	C315-S319 WeakPolarHBondContact CB-OG 3.13Å; C315-S319 WeakPolarHBondContact SG-CB 3.25Å; G316-S319 WeakPolarHBondContact O-CB 3.49Å; G316-S319 PolarHBondContact O-N 3.08Å; G316-S319 PolarHBondContact O-OG 3.4Å; G317-S319 PolarHBondContact O-N 2.88Å; S319-A322 PolarHBondContact O-N 3.19Å; S319-V323 WeakPolarHBondContact O-CG2 3.27Å; S319-V323 PolarHBondContact O-N 2.91Å; S319-L343 WeakPolarHBondContact OG-CA 3.36Å; S319-P344 VanDerWaalsContact OG-CD 3.24Å; S319-P344 WeakPolarHBondContact OG-CD 3.26Å
320	G	98.8	Very high	98.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.4	-44.6	172.1	0	0	0	0	0	112.3	T300 M303 G317 A322 V323 W324	T300-G320 WeakPolarHBondContact O-CA 3.35Å; M303-G320 WeakPolarHBondContact CB-O 3.46Å; M303-G320 VanDerWaalsContact CG-O 3.24Å; M303-G320 WeakPolarHBondContact CG-O 3.39Å; G317-G320 WeakPolarHBondContact O-CA 3.47Å; G317-G320 PolarHBondContact O-N 3.41Å; G320-A322 VanDerWaalsContact C-N 3.33Å; G320-A322 PolarHBondContact O-N 3.13Å; G320-V323 PolarHBondContact O-N 3.25Å; G320-W324 VanDerWaalsContact O-CB 3.32Å; G320-W324 WeakPolarHBondContact O-CB 3.18Å; G320-W324 PolarHBondContact O-N 2.66Å
321	S	98.8	Very high	98.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-53.5	-49.8	172.3	-56.9	0	0	0	0	111.9	I275 T300 G317 S318 A325	I275-S321 WeakPolarHBondContact CD1-OG 3.43Å; T300-S321 WeakPolarHBondContact CB-OG 3.22Å; T300-S321 WeakPolarHBondContact CG2-OG 3.22Å; T300-S321 PolarHBondContact OG1-OG 2.85Å; G317-S321 PolarHBondContact O-N 3.07Å; G317-S321 VanDerWaalsContact O-N 3.15Å; S318-S321 WeakPolarHBondContact O-CB 3.39Å; S321-A325 WeakPolarHBondContact O-CB 3.44Å; S321-A325 PolarHBondContact O-N 3.12Å; S321-A325 VanDerWaalsContact O-N 3.08Å
322	A	98.9	Very high	98.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.5	-43.1	-177.2	0	0	0	0	0	112.4	V224 S318 S319 G320 A325 A326 V341	V224-A322 WeakPolarHBondContact CG1-O 3.26Å; S318-A322 PolarHBondContact O-N 3.08Å; S318-A322 VanDerWaalsContact O-N 3.12Å; S319-A322 PolarHBondContact O-N 3.19Å; G320-A322 VanDerWaalsContact C-N 3.33Å; G320-A322 PolarHBondContact O-N 3.13Å; A322-A325 PolarHBondContact O-N 3Å; A322-A326 WeakPolarHBondContact O-CB 3.4Å; A322-A326 PolarHBondContact O-N 3.27Å; A322-V341 HydrophobicContact CB-CG1 3.57Å
323	V	98.9	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-71.4	-38.8	179.5	174.5	0	0	0	0	111.7	M64 I67 M303 L307 S319 G320 A325 A326 V327 V341 L343	M64-V323 HydrophobicContact CE-CG1 4.49Å; M64-V323 HydrophobicContact CE-CG2 3.93Å; M64-V323 HydrophobicContact SD-CG2 4.09Å; I67-V323 HydrophobicContact CG2-CG1 4.09Å; M303-V323 HydrophobicContact CE-CG1 4.45Å; M303-V323 HydrophobicContact CG-CB 3.9Å; M303-V323 HydrophobicContact CG-CG1 3.96Å; M303-V323 HydrophobicContact SD-CB 4.24Å; M303-V323 HydrophobicContact SD-CG1 3.61Å; L307-V323 HydrophobicContact CD1-CB 4.04Å; L307-V323 HydrophobicContact CD1-CG2 3.71Å; L307-V323 HydrophobicContact CD2-CB 4.42Å; L307-V323 HydrophobicContact CD2-CG1 4.13Å; L307-V323 HydrophobicContact CD2-CG2 4.01Å; L307-V323 HydrophobicContact CG-CG2 4.38Å; S319-V323 WeakPolarHBondContact O-CG2 3.27Å; S319-V323 PolarHBondContact O-N 2.91Å; G320-V323 PolarHBondContact O-N 3.25Å; V323-A325 VanDerWaalsContact C-N 3.31Å; V323-A325 PolarHBondContact O-N 3.35Å; V323-A326 WeakPolarHBondContact O-CB 3.31Å; V323-A326 PolarHBondContact O-N 2.96Å; V323-V327 PolarHBondContact O-N 3.17Å; V323-V341 HydrophobicContact CG2-CB 4.39Å; V323-V341 HydrophobicContact CG2-CG1 3.85Å; V323-L343 HydrophobicContact CG2-CD2 3.57Å
324	W	98.8	Very high	98.3	Very high	50 Å²	50	28.5 Å²	28.5	19%	0.189	14%	0.143	C	C	.	.	H	α-helix	trans	-59.1	-47.3	175.2	-175.5	100.3	0	0	0	110.3	V293 V295 D299 M303 G320 A326 V327 Q328	V293-W324 HydrophobicContact CG1-CE3 4.44Å; V293-W324 HydrophobicContact CG1-CZ3 3.93Å; V295-W324 HydrophobicContact CB-CE3 4.31Å; V295-W324 HydrophobicContact CG2-CD2 4.15Å; V295-W324 HydrophobicContact CG2-CE3 3.81Å; V295-W324 HydrophobicContact CG2-CG 4.48Å; V295-W324 HydrophobicContact CG2-CZ3 4.36Å; D299-W324 HydrophobicContact CB-CD2 4.04Å; D299-W324 HydrophobicContact CB-CG 4.01Å; D299-W324 HydrophobicContact CB-CZ2 4.34Å; D299-W324 VanDerWaalsContact CG-NE1 3.27Å; D299-W324 PolarHBondContact OD1-NE1 3.02Å; M303-W324 HydrophobicContact CB-CB 4.04Å; M303-W324 HydrophobicContact CE-CB 4.38Å; M303-W324 HydrophobicContact CG-CB 4.05Å; G320-W324 VanDerWaalsContact O-CB 3.32Å; G320-W324 WeakPolarHBondContact O-CB 3.18Å; G320-W324 PolarHBondContact O-N 2.66Å; W324-A326 VanDerWaalsContact C-N 3.34Å; W324-A326 PolarHBondContact O-N 3.01Å; W324-V327 PolarHBondContact O-N 3.22Å; W324-Q328 HydrophobicContact CD2-CG 4.2Å; W324-Q328 HydrophobicContact CE3-CG 3.9Å; W324-Q328 HydrophobicContact CH2-CG 3.79Å; W324-Q328 HydrophobicContact CZ2-CG 4.1Å; W324-Q328 HydrophobicContact CZ3-CG 3.69Å; W324-Q328 WeakPolarHBondContact O-CG 3.43Å; W324-Q328 PolarHBondContact O-N 2.83Å; W324-Q328 VanDerWaalsContact O-N 3.15Å
325	A	98.8	Very high	98.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.6	-39.3	176.2	0	0	0	0	0	112.6	V224 V252 V293 S321 A322 V323 V327 Q328 A329	V224-A325 HydrophobicContact CG1-CB 4.28Å; V252-A325 HydrophobicContact CB-CB 4.21Å; V252-A325 HydrophobicContact CG1-CB 3.78Å; V252-A325 HydrophobicContact CG2-CB 3.37Å; V293-A325 HydrophobicContact CB-CB 3.88Å; V293-A325 HydrophobicContact CG1-CB 3.65Å; V293-A325 HydrophobicContact CG2-CB 4.35Å; S321-A325 WeakPolarHBondContact O-CB 3.44Å; S321-A325 PolarHBondContact O-N 3.12Å; S321-A325 VanDerWaalsContact O-N 3.08Å; A322-A325 PolarHBondContact O-N 3Å; V323-A325 VanDerWaalsContact C-N 3.31Å; V323-A325 PolarHBondContact O-N 3.35Å; A325-V327 VanDerWaalsContact C-N 3.35Å; A325-V327 PolarHBondContact O-N 3.22Å; A325-Q328 PolarHBondContact O-N 3.32Å; A325-A329 WeakPolarHBondContact O-CB 3.13Å; A325-A329 PolarHBondContact O-N 3.06Å
326	A	98.8	Very high	98.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-43.5	175.7	0	0	0	0	0	111.8	L77 V224 A322 V323 W324 Q328 A329 A330 V341	L77-A326 HydrophobicContact CD1-CB 4.27Å; V224-A326 HydrophobicContact CB-CB 4.1Å; V224-A326 HydrophobicContact CG1-CB 4.1Å; V224-A326 HydrophobicContact CG2-CB 3.79Å; A322-A326 WeakPolarHBondContact O-CB 3.4Å; A322-A326 PolarHBondContact O-N 3.27Å; V323-A326 WeakPolarHBondContact O-CB 3.31Å; V323-A326 PolarHBondContact O-N 2.96Å; W324-A326 VanDerWaalsContact C-N 3.34Å; W324-A326 PolarHBondContact O-N 3.01Å; A326-Q328 PolarHBondContact O-N 3.49Å; A326-A329 PolarHBondContact O-N 2.9Å; A326-A330 WeakPolarHBondContact O-CB 3.32Å; A326-A330 PolarHBondContact O-N 3.06Å; A326-V341 HydrophobicContact CB-CG1 4.46Å; A326-V341 HydrophobicContact CB-CG2 3.39Å
327	V	98.5	Very high	98.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61	-33.4	175.6	128.5	0	0	0	0	112.2	I67 Y71 L73 V323 W324 A325 K331	I67-V327 HydrophobicContact CG2-CG2 4.19Å; Y71-V327 VanDerWaalsContact CB-CG2 3.5Å; Y71-V327 HydrophobicContact CD1-CB 4.42Å; Y71-V327 HydrophobicContact CD1-CG1 3.47Å; Y71-V327 VanDerWaalsContact CD1-CG1 3.47Å; Y71-V327 HydrophobicContact CD1-CG2 4.06Å; Y71-V327 HydrophobicContact CD2-CG2 3.82Å; Y71-V327 HydrophobicContact CE1-CG1 3.9Å; Y71-V327 HydrophobicContact CG-CB 4.35Å; Y71-V327 HydrophobicContact CG-CG1 3.86Å; Y71-V327 HydrophobicContact CG-CG2 3.52Å; L73-V327 HydrophobicContact CD1-CG2 3.78Å; L73-V327 HydrophobicContact CG-CG2 4.33Å; V323-V327 PolarHBondContact O-N 3.17Å; W324-V327 PolarHBondContact O-N 3.22Å; A325-V327 VanDerWaalsContact C-N 3.35Å; A325-V327 PolarHBondContact O-N 3.22Å; V327-K331 WeakPolarHBondContact O-CG 3.28Å
328	Q	98.2	Very high	98.3	Very high	63 Å²	63	43.1 Å²	43.1	29%	0.294	21%	0.211	S	C	.	.	H	α-helix	trans	-75.4	-44.9	174.5	-57.6	-50.2	-36.3	0	0	112.1	W324 A325 A326 K331	W324-Q328 HydrophobicContact CD2-CG 4.2Å; W324-Q328 HydrophobicContact CE3-CG 3.9Å; W324-Q328 HydrophobicContact CH2-CG 3.79Å; W324-Q328 HydrophobicContact CZ2-CG 4.1Å; W324-Q328 HydrophobicContact CZ3-CG 3.69Å; W324-Q328 WeakPolarHBondContact O-CG 3.43Å; W324-Q328 PolarHBondContact O-N 2.83Å; W324-Q328 VanDerWaalsContact O-N 3.15Å; A325-Q328 PolarHBondContact O-N 3.32Å; A326-Q328 PolarHBondContact O-N 3.49Å; Q328-K331 WeakPolarHBondContact O-CG 3.27Å
329	A	98.3	Very high	98.3	Very high	12 Å²	12	42.9 Å²	42.9	10%	0.099	21%	0.209	C	C	.	.	H	α-helix	trans	-74.9	-33.2	-173.7	0	0	0	0	0	113.2	M222 V250 A325 A326 K331	M222-A329 HydrophobicContact CE-CB 4.17Å; M222-A329 WeakPolarHBondContact CE-O 3.37Å; M222-A329 HydrophobicContact SD-CB 3.83Å; V250-A329 HydrophobicContact CG1-CB 4.33Å; V250-A329 HydrophobicContact CG2-CB 4.15Å; A325-A329 WeakPolarHBondContact O-CB 3.13Å; A325-A329 PolarHBondContact O-N 3.06Å; A326-A329 PolarHBondContact O-N 2.9Å; A329-K331 VanDerWaalsContact C-N 3.34Å; A329-K331 PolarHBondContact O-N 3.44Å
330	A	98.4	Very high	98.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-84.4	-1.1	-173.7	0	0	0	0	0	114.5	L73 M222 A326 N332 L333 C339	L73-A330 HydrophobicContact CD1-CB 4.35Å; L73-A330 HydrophobicContact CD2-CB 4.31Å; M222-A330 HydrophobicContact SD-CB 4.23Å; A326-A330 WeakPolarHBondContact O-CB 3.32Å; A326-A330 PolarHBondContact O-N 3.06Å; A330-N332 PolarHBondContact O-N 2.84Å; A330-L333 HydrophobicContact CB-CD1 3.97Å; A330-L333 HydrophobicContact CB-CG 4.44Å; A330-L333 WeakPolarHBondContact O-CB 3.24Å; A330-L333 PolarHBondContact O-N 3.01Å; A330-C339 HydrophobicContact CB-CB 4.31Å
331	K	97.2	Very high	98.3	Very high	119 Å²	119	42.9 Å²	42.9	52%	0.517	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-52.2	-32.6	-176.9	-72.5	178.3	169.9	169.8	0	114.4	L73 V327 Q328 A329	L73-K331 HydrophobicContact CD2-CG 4.34Å; V327-K331 WeakPolarHBondContact O-CG 3.28Å; Q328-K331 WeakPolarHBondContact O-CG 3.27Å; A329-K331 VanDerWaalsContact C-N 3.34Å; A329-K331 PolarHBondContact O-N 3.44Å
332	N	95.6	Very high	98.3	Very high	157 Å²	157	43 Å²	43	84%	0.84	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-96.8	0.1	-176	-64.2	-27.7	0	0	0	113.8	A330	A330-N332 PolarHBondContact O-N 2.84Å
333	L	98.3	Very high	98.3	Very high	21 Å²	21	43 Å²	43	11%	0.11	21%	0.21	C	C	.	.			trans	-76.5	143.9	174.9	-60.4	-178.6	0	0	0	110.2	C75 M222 A330 Q337 C339	C75-L333 HydrophobicContact CB-CB 3.51Å; C75-L333 HydrophobicContact CB-CD1 4.24Å; M222-L333 HydrophobicContact CB-CD1 3.91Å; M222-L333 HydrophobicContact CE-CD1 4.05Å; M222-L333 HydrophobicContact CE-CD2 4.33Å; M222-L333 HydrophobicContact CE-CG 4.28Å; M222-L333 HydrophobicContact SD-CD1 4.19Å; A330-L333 HydrophobicContact CB-CD1 3.97Å; A330-L333 HydrophobicContact CB-CG 4.44Å; A330-L333 WeakPolarHBondContact O-CB 3.24Å; A330-L333 PolarHBondContact O-N 3.01Å; L333-Q337 VanDerWaalsContact CA-OE1 3.29Å; L333-Q337 HydrophobicContact CB-CB 4.12Å; L333-C339 HydrophobicContact CD1-CB 4.1Å
334	N	98	Very high	98.3	Very high	74 Å²	74	43.6 Å²	43.6	40%	0.396	21%	0.214	S	C	.	.			trans	-93.2	175.7	-179.5	73	70.2	0	0	0	113	C75 N336 Q337	C75-N334 WeakPolarHBondContact CA-O 3.23Å; C75-N334 WeakPolarHBondContact CB-O 3.27Å; C75-N334 PolarHBondContact N-O 3.05Å; N334-N336 PolarHBondContact O-N 3.2Å; N334-N336 VanDerWaalsContact O-N 3.16Å; N334-N336 WeakPolarHBondContact OD1-CB 3.44Å; N334-N336 PolarHBondContact OD1-N 3.34Å; N334-Q337 PolarHBondContact ND2-OE1 3.49Å; N334-Q337 WeakPolarHBondContact O-CB 3.38Å; N334-Q337 PolarHBondContact O-N 2.99Å
335	E	97.6	Very high	98.3	Very high	152 Å²	152	41.2 Å²	41.2	71%	0.71	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.1	-174.2	-62	177.3	-171.3	0	0	114.7	K74	K74-E335 HydrophobicContact CB-CG 3.92Å; K74-E335 WeakPolarHBondContact O-CA 3.33Å
336	N	97.2	Very high	98.2	Very high	155 Å²	155	41.8 Å²	41.8	83%	0.829	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-0.4	178.7	-60.1	-52.5	0	0	0	113.2	N334	N334-N336 PolarHBondContact O-N 3.2Å; N334-N336 VanDerWaalsContact O-N 3.16Å; N334-N336 WeakPolarHBondContact OD1-CB 3.44Å; N334-N336 PolarHBondContact OD1-N 3.34Å
337	Q	98.6	Very high	98.2	Very high	43 Å²	43	42.9 Å²	42.9	20%	0.201	22%	0.217	C	C	.	.			trans	-101.9	157.5	-176.4	-63.2	-171.4	-78.9	0	0	111.7	C75 E76 D221 L333 N334	C75-Q337 CarbonylContact C-O 3.55Å; C75-Q337 WeakPolarHBondContact CA-O 3.29Å; C75-Q337 HydrophobicContact CB-CB 4.21Å; C75-Q337 VanDerWaalsContact CB-O 3.24Å; C75-Q337 WeakPolarHBondContact CB-O 3.31Å; E76-Q337 PolarHBondContact N-O 3.04Å; D221-Q337 HydrophobicContact CB-CB 4.04Å; D221-Q337 HydrophobicContact CB-CG 4.38Å; D221-Q337 VanDerWaalsContact CG-CB 3.49Å; D221-Q337 WeakPolarHBondContact OD1-CG 3.47Å; D221-Q337 PolarHBondContact OD1-NE2 3.19Å; D221-Q337 WeakPolarHBondContact OD2-CA 3.32Å; D221-Q337 WeakPolarHBondContact OD2-CB 3.43Å; L333-Q337 VanDerWaalsContact CA-OE1 3.29Å; L333-Q337 HydrophobicContact CB-CB 4.12Å; N334-Q337 PolarHBondContact ND2-OE1 3.49Å; N334-Q337 WeakPolarHBondContact O-CB 3.38Å; N334-Q337 PolarHBondContact O-N 2.99Å
338	R	98.7	Very high	98.2	Very high	55 Å²	55	46.9 Å²	46.9	21%	0.208	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.2	179.5	-178.2	-179.6	-70.8	156	-10	111.9	E76 V78 C216 K219 L220 D221 M222	E76-R338 HydrophobicContact CB-CB 4.47Å; E76-R338 HydrophobicContact CB-CG 4.42Å; E76-R338 WeakPolarHBondContact O-CA 3.48Å; E76-R338 IonicContact OE2-CZ 3.59Å; E76-R338 IonicContact OE2-NE 2.71Å; E76-R338 PolarHBondContact OE2-NE 3.05Å; E76-R338 IonicContact OE2-NH2 3.43Å; E76-R338 PolarHBondContact OE2-NH2 3.41Å; V78-R338 HydrophobicContact CG2-CG 4.18Å; C216-R338 VanDerWaalsContact CA-NH1 3.3Å; C216-R338 PolarHBondContact O-NH1 3.13Å; K219-R338 PolarHBondContact O-NH1 3.03Å; K219-R338 VanDerWaalsContact O-NH1 3.09Å; L220-R338 HydrophobicContact CD1-CB 4.13Å; L220-R338 HydrophobicContact CD1-CG 3.8Å; L220-R338 WeakPolarHBondContact CD1-O 3.29Å; D221-R338 WeakPolarHBondContact CB-O 3.5Å; D221-R338 PolarHBondContact N-O 2.85Å; D221-R338 PolarHBondContact OD2-N 3.48Å; M222-R338 PolarHBondContact N-O 3.34Å; M222-R338 VanDerWaalsContact N-O 3.1Å
339	C	98.8	Very high	98.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.6	170.5	-177.9	0	0	0	0	109.9	E76 L77 V78 M222 A330 L333	E76-C339 PolarHBondContact O-N 2.81Å; L77-C339 HydrophobicContact CD1-CB 4.02Å; V78-C339 PolarHBondContact N-O 2.93Å; M222-C339 HydrophobicContact CB-CB 4.24Å; M222-C339 WeakPolarHBondContact O-CA 3.47Å; A330-C339 HydrophobicContact CB-CB 4.31Å; L333-C339 HydrophobicContact CD1-CB 4.1Å
340	V	98.8	Very high	98	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	135.5	172.6	173	0	0	0	0	109.4	M61 V78 K80 I212 L220 M222 M223 V224	M61-V340 HydrophobicContact CE-CG1 3.92Å; M61-V340 HydrophobicContact CE-CG2 4.14Å; M61-V340 HydrophobicContact SD-CG1 4.11Å; M61-V340 HydrophobicContact SD-CG2 4.37Å; V78-V340 HydrophobicContact CG2-CB 4.06Å; V78-V340 HydrophobicContact CG2-CG1 4.5Å; V78-V340 HydrophobicContact CG2-CG2 3.33Å; V78-V340 CarbonylContact O-C 3.55Å; V78-V340 WeakPolarHBondContact O-CA 3.1Å; K80-V340 HydrophobicContact CB-CG1 4.27Å; I212-V340 HydrophobicContact CG2-CG1 4.45Å; I212-V340 HydrophobicContact CG2-CG2 4.3Å; L220-V340 HydrophobicContact CD1-CB 3.93Å; L220-V340 HydrophobicContact CD1-CG2 3.29Å; L220-V340 HydrophobicContact CD2-CB 4.28Å; L220-V340 HydrophobicContact CD2-CG2 4.04Å; L220-V340 HydrophobicContact CG-CG2 4.32Å; M222-V340 PolarHBondContact O-N 3.3Å; M223-V340 CarbonylContact C-O 3.49Å; M223-V340 WeakPolarHBondContact CA-O 3.44Å; M223-V340 HydrophobicContact CE-CB 3.8Å; M223-V340 HydrophobicContact CE-CG1 3.72Å; M223-V340 HydrophobicContact CE-CG2 4.46Å; M223-V340 HydrophobicContact SD-CB 3.87Å; M223-V340 HydrophobicContact SD-CG1 3.65Å; V224-V340 PolarHBondContact N-O 3.18Å
341	V	98.9	Very high	97.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.6	174.7	-166.8	0	0	0	0	109.6	M64 L77 V78 A79 K80 V224 A322 V323 A326 L343	M64-V341 HydrophobicContact CE-CB 4.28Å; M64-V341 HydrophobicContact CE-CG2 4.06Å; L77-V341 HydrophobicContact CD1-CG2 3.75Å; V78-V341 PolarHBondContact O-N 3.09Å; A79-V341 CarbonylContact C-O 3.56Å; A79-V341 WeakPolarHBondContact CA-O 3.32Å; K80-V341 PolarHBondContact N-O 3Å; V224-V341 HydrophobicContact CB-CG1 4.34Å; V224-V341 HydrophobicContact CB-CG2 4.36Å; A322-V341 HydrophobicContact CB-CG1 3.57Å; V323-V341 HydrophobicContact CG2-CB 4.39Å; V323-V341 HydrophobicContact CG2-CG1 3.85Å; A326-V341 HydrophobicContact CB-CG1 4.46Å; A326-V341 HydrophobicContact CB-CG2 3.39Å; V341-L343 HydrophobicContact CB-CD2 4.48Å; V341-L343 HydrophobicContact CG1-CD2 4.05Å
342	V	98.9	Very high	97.9	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.3	175.5	179	0	0	0	0	110.2	K80 E82 M223 V224 I225 T232 P344	K80-V342 HydrophobicContact CB-CG2 4.33Å; E82-V342 HydrophobicContact CG-CG1 3.96Å; M223-V342 HydrophobicContact SD-CG2 4.29Å; V224-V342 PolarHBondContact O-N 3.4Å; V224-V342 VanDerWaalsContact O-N 3.13Å; I225-V342 HydrophobicContact CD1-CG2 4.45Å; I225-V342 HydrophobicContact CG1-CB 4.43Å; I225-V342 HydrophobicContact CG1-CG2 3.9Å; T232-V342 HydrophobicContact CG2-CG1 4.47Å; V342-P344 WeakPolarHBondContact O-CD 3.21Å
343	L	98.9	Very high	97.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	100.4	177.7	-52	-168.9	0	0	0	109.6	A79 K80 E82 F83 L313 C315 S319 V323 V341	A79-L343 HydrophobicContact CB-CD1 3.55Å; A79-L343 HydrophobicContact CB-CG 3.87Å; K80-L343 PolarHBondContact O-N 2.98Å; E82-L343 WeakPolarHBondContact CB-O 3.4Å; E82-L343 PolarHBondContact N-O 3.37Å; F83-L343 HydrophobicContact CD1-CB 3.97Å; F83-L343 HydrophobicContact CE1-CB 3.86Å; F83-L343 HydrophobicContact CE1-CD1 3.97Å; L313-L343 HydrophobicContact CD1-CD1 3.87Å; C315-L343 HydrophobicContact CB-CD1 4.5Å; S319-L343 WeakPolarHBondContact OG-CA 3.36Å; V323-L343 HydrophobicContact CG2-CD2 3.57Å; V341-L343 HydrophobicContact CB-CD2 4.48Å; V341-L343 HydrophobicContact CG1-CD2 4.05Å
344	P	98.7	Very high	97.8	Very high	12 Å²	12	39.1 Å²	39.1	8%	0.078	20%	0.197	C	C	.	.			trans	-73	-36	-158.5	-25.6	38.6	0	0	0	116.5	S89 V90 S318 S319 V342	S89-P344 CarbonylContact C-O 3.58Å; S89-P344 WeakPolarHBondContact CA-O 3.47Å; V90-P344 HydrophobicContact CB-CB 4.48Å; V90-P344 HydrophobicContact CG1-CB 3.82Å; V90-P344 PolarHBondContact N-O 3.49Å; S318-P344 WeakPolarHBondContact OG-CG 3.44Å; S319-P344 VanDerWaalsContact OG-CD 3.24Å; S319-P344 WeakPolarHBondContact OG-CD 3.26Å; V342-P344 WeakPolarHBondContact O-CD 3.21Å
345	D	98.5	Very high	97.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-153.2	170	-173.2	77.3	-25.6	0	0	0	113.1	F83 G88 N121 C315 G316 N349 Y350	F83-D345 WeakPolarHBondContact CB-O 2.84Å; G88-D345 WeakPolarHBondContact O-CA 3.49Å; N121-D345 PolarHBondContact ND2-OD2 2.85Å; C315-D345 CarbonylContact C-O 3.55Å; C315-D345 WeakPolarHBondContact CA-O 3.18Å; G316-D345 PolarHBondContact N-O 2.8Å; D345-N349 PolarHBondContact OD2-ND2 3.12Å; D345-Y350 PolarHBondContact OD1-OH 2.89Å; D345-Y350 WeakPolarHBondContact OD2-CE2 3.48Å; D345-Y350 PolarHBondContact OD2-OH 3.33Å
346	G	98.3	Very high	97.6	Very high	11 Å²	11	34.9 Å²	34.9	11%	0.113	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-96.1	167	-172.2	0	0	0	0	0	114.5	F83 G88 L314 R348 Y350	F83-G346 VanDerWaalsContact CB-N 3.32Å; G88-G346 PolarHBondContact O-N 3.15Å; L314-G346 WeakPolarHBondContact O-CA 3.35Å; G346-R348 PolarHBondContact O-N 3.4Å; G346-R348 VanDerWaalsContact O-N 3.13Å; G346-Y350 WeakPolarHBondContact O-CD2 3.23Å; G346-Y350 WeakPolarHBondContact O-CE2 3.35Å
347	V	97.9	Very high	97.5	Very high	23 Å²	23	29.3 Å²	29.3	14%	0.139	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-59	-22.7	177.7	-70.1	0	0	0	0	114.9	I308 L314 C315 N349 Y350 M351 F354 L355	I308-V347 HydrophobicContact CD1-CG1 3.65Å; I308-V347 HydrophobicContact CG1-CG1 4.31Å; L314-V347 HydrophobicContact CB-CG1 4.31Å; L314-V347 HydrophobicContact CB-CG2 3.94Å; L314-V347 PolarHBondContact O-N 2.85Å; C315-V347 VanDerWaalsContact O-CG1 3.24Å; C315-V347 WeakPolarHBondContact O-CG1 3.41Å; V347-N349 PolarHBondContact O-N 3.12Å; V347-Y350 PolarHBondContact O-N 2.87Å; V347-M351 PolarHBondContact O-N 3.38Å; V347-F354 HydrophobicContact CG1-CZ 4.45Å; V347-L355 HydrophobicContact CB-CD1 3.72Å; V347-L355 HydrophobicContact CB-CD2 4.42Å; V347-L355 HydrophobicContact CG1-CD1 4.17Å; V347-L355 HydrophobicContact CG1-CD2 3.94Å
348	R	97.5	Very high	97.3	Very high	84 Å²	84	33.2 Å²	33.2	32%	0.317	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-49.5	-33.9	-177.6	-175.9	-168.3	66.1	-155	-6.1	113.1	G87 E148 L152 G346 Y350	G87-R348 VanDerWaalsContact O-CZ 3.32Å; G87-R348 PolarHBondContact O-NH1 3.1Å; G87-R348 PolarHBondContact O-NH2 2.77Å; E148-R348 WeakPolarHBondContact CB-O 3.5Å; L152-R348 VanDerWaalsContact CD2-NH2 3.33Å; G346-R348 PolarHBondContact O-N 3.4Å; G346-R348 VanDerWaalsContact O-N 3.13Å; R348-Y350 VanDerWaalsContact C-N 3.25Å; R348-Y350 PolarHBondContact O-N 3.16Å
349	N	96.1	Very high	97.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-77.7	-8.2	-178	-68.4	-22.2	0	0	0	114	N121 S146 K149 D345 V347	N121-N349 PolarHBondContact OD1-ND2 3.4Å; S146-N349 VanDerWaalsContact CB-O 3.24Å; S146-N349 WeakPolarHBondContact CB-O 3.19Å; S146-N349 PolarHBondContact OG-O 2.77Å; K149-N349 HydrophobicContact CG-CB 4.17Å; D345-N349 PolarHBondContact OD2-ND2 3.12Å; V347-N349 PolarHBondContact O-N 3.12Å
350	Y	96.5	Very high	97.1	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.016	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-135.8	21.6	-164.8	-46.2	-73.1	0	0	0	112.7	E273 D345 G346 V347 R348 T352 K353 F354	E273-Y350 HydrophobicContact CB-CE1 4.13Å; E273-Y350 HydrophobicContact CG-CE1 4.31Å; D345-Y350 PolarHBondContact OD1-OH 2.89Å; D345-Y350 WeakPolarHBondContact OD2-CE2 3.48Å; D345-Y350 PolarHBondContact OD2-OH 3.33Å; G346-Y350 WeakPolarHBondContact O-CD2 3.23Å; G346-Y350 WeakPolarHBondContact O-CE2 3.35Å; V347-Y350 PolarHBondContact O-N 2.87Å; R348-Y350 VanDerWaalsContact C-N 3.25Å; R348-Y350 PolarHBondContact O-N 3.16Å; Y350-T352 PolarHBondContact O-N 3.4Å; Y350-K353 PolarHBondContact O-N 3.15Å; Y350-F354 HydrophobicContact CD1-CD1 4.45Å; Y350-F354 HydrophobicContact CD1-CE1 4.41Å; Y350-F354 HydrophobicContact CD2-CD1 4.48Å; Y350-F354 AromaticContact CD2-CE1 3.69Å; Y350-F354 HydrophobicContact CD2-CE1 3.69Å; Y350-F354 AromaticContact CG-CD1 3.93Å; Y350-F354 HydrophobicContact CG-CD1 3.93Å; Y350-F354 AromaticContact CG-CE1 3.57Å; Y350-F354 HydrophobicContact CG-CE1 3.57Å
351	M	97.2	Very high	96.9	Very high	92 Å²	92	34.4 Å²	34.4	45%	0.453	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-34	-175.8	-65.8	-60.5	-62.2	0	0	112.5	E148 V347 L355 Q356	E148-M351 HydrophobicContact CG-CB 4.33Å; E148-M351 WeakPolarHBondContact OE1-CA 3.37Å; E148-M351 WeakPolarHBondContact OE1-CB 3.47Å; E148-M351 PolarHBondContact OE1-N 3.07Å; V347-M351 PolarHBondContact O-N 3.38Å; M351-L355 HydrophobicContact CE-CD1 4.45Å; M351-L355 HydrophobicContact SD-CD1 3.62Å; M351-Q356 WeakPolarHBondContact O-CG 3.35Å; M351-Q356 PolarHBondContact O-NE2 2.84Å
352	T	96.1	Very high	96.8	Very high	88 Å²	88	41.8 Å²	41.8	54%	0.54	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	21.4	177.3	71	0	0	0	0	113.1	E148 Y350	E148-T352 PolarHBondContact OE1-N 3.02Å; E148-T352 PolarHBondContact OE1-OG1 3.49Å; Y350-T352 PolarHBondContact O-N 3.4Å
353	K	96	Very high	96.6	Very high	25 Å²	25	45.2 Å²	45.2	11%	0.109	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-123.3	176.2	-65.5	-166.8	172.2	-168.3	0	110.4	K144 E273 Y350 L355 Q356 W359	K144-K353 PolarHBondContact O-NZ 3.05Å; K144-K353 VanDerWaalsContact O-NZ 3.13Å; E273-K353 WeakPolarHBondContact OE1-CE 3.42Å; E273-K353 IonicContact OE1-NZ 3.37Å; E273-K353 PolarHBondContact OE1-NZ 3.47Å; Y350-K353 PolarHBondContact O-N 3.15Å; K353-L355 PolarHBondContact O-N 3.37Å; K353-Q356 WeakPolarHBondContact O-CB 3.43Å; K353-Q356 PolarHBondContact O-N 3.29Å; K353-W359 VanDerWaalsContact C-CE3 3.47Å; K353-W359 HydrophobicContact CB-CD2 4.12Å; K353-W359 HydrophobicContact CB-CE3 4.45Å; K353-W359 HydrophobicContact CB-CZ2 4.23Å; K353-W359 HydrophobicContact CD-CZ2 4.43Å; K353-W359 HydrophobicContact CG-CZ2 4.44Å; K353-W359 WeakPolarHBondContact O-CB 3.39Å
354	F	96.8	Very high	96.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.9	-172.8	83.3	-94.2	0	0	0	115.1	F301 A304 R305 I308 V347 Y350 Q356 W359 M360	F301-F354 HydrophobicContact CB-CB 3.96Å; F301-F354 HydrophobicContact CD1-CB 3.41Å; F301-F354 VanDerWaalsContact CD1-CB 3.41Å; F301-F354 AromaticContact CD1-CD1 3.99Å; F301-F354 HydrophobicContact CD1-CD1 3.99Å; F301-F354 HydrophobicContact CD1-CD2 4.44Å; F301-F354 AromaticContact CD1-CG 3.71Å; F301-F354 HydrophobicContact CD1-CG 3.71Å; F301-F354 HydrophobicContact CE1-CB 4.05Å; F301-F354 HydrophobicContact CE1-CD1 4.24Å; F301-F354 HydrophobicContact CE1-CG 4.35Å; F301-F354 HydrophobicContact CG-CB 3.75Å; F301-F354 HydrophobicContact CG-CG 4.41Å; A304-F354 HydrophobicContact CB-CD2 4.15Å; A304-F354 HydrophobicContact CB-CE2 3.65Å; A304-F354 HydrophobicContact CB-CZ 4.02Å; R305-F354 WeakPolarHBondContact CD-O 3.37Å; R305-F354 HydrophobicContact CG-CD2 3.81Å; R305-F354 HydrophobicContact CG-CE2 4.16Å; I308-F354 HydrophobicContact CD1-CE2 4.08Å; I308-F354 HydrophobicContact CD1-CZ 4.45Å; V347-F354 HydrophobicContact CG1-CZ 4.45Å; Y350-F354 HydrophobicContact CD1-CD1 4.45Å; Y350-F354 HydrophobicContact CD1-CE1 4.41Å; Y350-F354 HydrophobicContact CD2-CD1 4.48Å; Y350-F354 AromaticContact CD2-CE1 3.69Å; Y350-F354 HydrophobicContact CD2-CE1 3.69Å; Y350-F354 AromaticContact CG-CD1 3.93Å; Y350-F354 HydrophobicContact CG-CD1 3.93Å; Y350-F354 AromaticContact CG-CE1 3.57Å; Y350-F354 HydrophobicContact CG-CE1 3.57Å; F354-Q356 VanDerWaalsContact C-N 3.29Å; F354-W359 HydrophobicContact CB-CE3 4.29Å; F354-W359 HydrophobicContact CB-CZ3 3.94Å; F354-M360 HydrophobicContact CB-SD 3.78Å; F354-M360 WeakPolarHBondContact O-CG 3.46Å
355	L	96.6	Very high	96.2	Very high	44 Å²	44	48.9 Å²	48.9	23%	0.23	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-22.8	171.3	-68.1	-176.4	0	0	0	113.6	I308 V347 M351 K353	I308-L355 HydrophobicContact CD1-CD2 3.54Å; V347-L355 HydrophobicContact CB-CD1 3.72Å; V347-L355 HydrophobicContact CB-CD2 4.42Å; V347-L355 HydrophobicContact CG1-CD1 4.17Å; V347-L355 HydrophobicContact CG1-CD2 3.94Å; M351-L355 HydrophobicContact CE-CD1 4.45Å; M351-L355 HydrophobicContact SD-CD1 3.62Å; K353-L355 PolarHBondContact O-N 3.37Å
356	Q	95.7	Very high	95.8	Very high	93 Å²	93	50.2 Å²	50.2	44%	0.435	26%	0.264	S	S	.	.	S	Bend	trans	-95.2	124.9	179.9	-60	-64	-30.5	0	0	110.3	M351 K353 F354 N358 W359 M360	M351-Q356 WeakPolarHBondContact O-CG 3.35Å; M351-Q356 PolarHBondContact O-NE2 2.84Å; K353-Q356 WeakPolarHBondContact O-CB 3.43Å; K353-Q356 PolarHBondContact O-N 3.29Å; F354-Q356 VanDerWaalsContact C-N 3.29Å; Q356-N358 VanDerWaalsContact C-N 3.27Å; Q356-N358 PolarHBondContact O-N 3.38Å; Q356-W359 HydrophobicContact CB-CB 4.11Å; Q356-W359 PolarHBondContact O-N 2.85Å; Q356-W359 VanDerWaalsContact O-N 3.16Å; Q356-M360 WeakPolarHBondContact O-CG 3.3Å; Q356-M360 PolarHBondContact O-N 2.94Å; Q356-M360 VanDerWaalsContact O-N 3.08Å
357	D	94.7	Very high	95.1	Very high	37 Å²	37	51.2 Å²	51.2	20%	0.198	27%	0.274	C	S	.	.	H	α-helix	trans	-56.7	-42.8	176.1	-75	-5.5	0	0	0	111.8	R305 W359 M360 I361 L366 T372	R305-D357 IonicContact CZ-OD1 3.65Å; R305-D357 IonicContact NH1-OD1 3.66Å; R305-D357 PolarHBondContact NH1-OD1 3.29Å; R305-D357 IonicContact NH2-OD1 2.77Å; R305-D357 PolarHBondContact NH2-OD1 3.35Å; D357-W359 VanDerWaalsContact C-N 3.31Å; D357-W359 PolarHBondContact O-N 2.95Å; D357-M360 WeakPolarHBondContact O-CB 3.34Å; D357-M360 PolarHBondContact O-N 2.97Å; D357-M360 VanDerWaalsContact O-N 3.1Å; D357-I361 VanDerWaalsContact O-CG1 3.3Å; D357-I361 WeakPolarHBondContact O-CG1 3.33Å; D357-I361 PolarHBondContact O-N 3.43Å; D357-L366 HydrophobicContact CB-CD2 4.41Å; D357-T372 PolarHBondContact OD1-OG1 3.09Å; D357-T372 WeakPolarHBondContact OD2-CB 3.41Å; D357-T372 PolarHBondContact OD2-N 3.34Å; D357-T372 PolarHBondContact OD2-OG1 2.89Å
358	N	94.9	Very high	94	Very high	126 Å²	126	54.7 Å²	54.7	67%	0.674	30%	0.299	S	S	*	.	H	α-helix	trans	-59.2	-42	178.9	-69	-8.5	0	0	0	112.4	Q356 I361 E362	Q356-N358 VanDerWaalsContact C-N 3.27Å; Q356-N358 PolarHBondContact O-N 3.38Å; N358-I361 PolarHBondContact O-N 2.97Å; N358-E362 VanDerWaalsContact O-CB 3.29Å; N358-E362 WeakPolarHBondContact O-CB 3.3Å; N358-E362 PolarHBondContact O-N 3.06Å
359	W	95.7	Very high	92.9	Very high	32 Å²	32	58.3 Å²	58.3	12%	0.121	32%	0.324	C	S	.	.	H	α-helix	trans	-67.2	-40.3	177	-176.1	91.6	0	0	0	111.1	E271 F301 K353 F354 Q356 D357 I361 E362 K363 F365	E271-W359 HydrophobicContact CB-CH2 4.04Å; E271-W359 HydrophobicContact CB-CZ2 4.29Å; E271-W359 HydrophobicContact CG-CH2 4.34Å; E271-W359 HydrophobicContact CG-CZ2 4.35Å; F301-W359 HydrophobicContact CD2-CH2 4.26Å; F301-W359 HydrophobicContact CD2-CZ3 4.06Å; F301-W359 AromaticContact CE2-CH2 3.72Å; F301-W359 HydrophobicContact CE2-CH2 3.72Å; F301-W359 AromaticContact CE2-CZ3 3.99Å; F301-W359 HydrophobicContact CE2-CZ3 3.99Å; F301-W359 HydrophobicContact CG-CZ3 4.49Å; F301-W359 AromaticContact CZ-CH2 3.92Å; F301-W359 HydrophobicContact CZ-CH2 3.92Å; F301-W359 HydrophobicContact CZ-CZ3 4.36Å; K353-W359 VanDerWaalsContact C-CE3 3.47Å; K353-W359 HydrophobicContact CB-CD2 4.12Å; K353-W359 HydrophobicContact CB-CE3 4.45Å; K353-W359 HydrophobicContact CB-CZ2 4.23Å; K353-W359 HydrophobicContact CD-CZ2 4.43Å; K353-W359 HydrophobicContact CG-CZ2 4.44Å; K353-W359 WeakPolarHBondContact O-CB 3.39Å; F354-W359 HydrophobicContact CB-CE3 4.29Å; F354-W359 HydrophobicContact CB-CZ3 3.94Å; Q356-W359 HydrophobicContact CB-CB 4.11Å; Q356-W359 PolarHBondContact O-N 2.85Å; Q356-W359 VanDerWaalsContact O-N 3.16Å; D357-W359 VanDerWaalsContact C-N 3.31Å; D357-W359 PolarHBondContact O-N 2.95Å; W359-I361 VanDerWaalsContact C-N 3.34Å; W359-I361 PolarHBondContact O-N 3.31Å; W359-E362 PolarHBondContact O-N 3.2Å; W359-K363 HydrophobicContact CD2-CG 3.97Å; W359-K363 HydrophobicContact CE3-CG 4.2Å; W359-K363 HydrophobicContact CH2-CG 4.06Å; W359-K363 HydrophobicContact CZ2-CD 4.34Å; W359-K363 HydrophobicContact CZ2-CG 3.8Å; W359-K363 HydrophobicContact CZ3-CG 4.25Å; W359-K363 WeakPolarHBondContact O-CB 3.06Å; W359-K363 VanDerWaalsContact O-CG 3.28Å; W359-K363 WeakPolarHBondContact O-CG 3.41Å; W359-K363 PolarHBondContact O-N 3.31Å; W359-F365 HydrophobicContact CH2-CD2 4.31Å; W359-F365 AromaticContact CH2-CE2 3.88Å; W359-F365 HydrophobicContact CH2-CE2 3.88Å; W359-F365 AromaticContact CZ3-CD2 3.88Å; W359-F365 HydrophobicContact CZ3-CD2 3.88Å; W359-F365 AromaticContact CZ3-CE2 3.94Å; W359-F365 HydrophobicContact CZ3-CE2 3.94Å
360	M	96.7	Very high	91.5	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-39.3	176.3	-70.2	-71.4	-70.7	0	0	112.2	F301 F354 Q356 D357 G364 F365 L366	F301-M360 HydrophobicContact CB-CE 3.63Å; F301-M360 HydrophobicContact CB-SD 3.69Å; F301-M360 HydrophobicContact CG-SD 4.26Å; F354-M360 HydrophobicContact CB-SD 3.78Å; F354-M360 WeakPolarHBondContact O-CG 3.46Å; Q356-M360 WeakPolarHBondContact O-CG 3.3Å; Q356-M360 PolarHBondContact O-N 2.94Å; Q356-M360 VanDerWaalsContact O-N 3.08Å; D357-M360 WeakPolarHBondContact O-CB 3.34Å; D357-M360 PolarHBondContact O-N 2.97Å; D357-M360 VanDerWaalsContact O-N 3.1Å; M360-G364 PolarHBondContact O-N 2.98Å; M360-F365 HydrophobicContact CE-CB 3.65Å; M360-F365 PolarHBondContact O-N 3.01Å; M360-F365 HydrophobicContact SD-CB 4.11Å; M360-F365 HydrophobicContact SD-CD2 4.21Å; M360-L366 HydrophobicContact CB-CB 3.82Å; M360-L366 HydrophobicContact CB-CD2 4.22Å; M360-L366 PolarHBondContact O-N 3.15Å
361	I	95.3	Very high	89.8	Confident	47 Å²	47	69.6 Å²	69.6	24%	0.241	38%	0.38	C	S	.	.	H	α-helix	trans	-70	-47.5	176.3	-67.1	164.2	0	0	0	110.6	D357 N358 W359 K363 G364 L366	D357-I361 VanDerWaalsContact O-CG1 3.3Å; D357-I361 WeakPolarHBondContact O-CG1 3.33Å; D357-I361 PolarHBondContact O-N 3.43Å; N358-I361 PolarHBondContact O-N 2.97Å; W359-I361 VanDerWaalsContact C-N 3.34Å; W359-I361 PolarHBondContact O-N 3.31Å; I361-K363 PolarHBondContact O-N 2.99Å; I361-G364 PolarHBondContact O-N 3.37Å; I361-L366 HydrophobicContact CG1-CB 4.14Å; I361-L366 HydrophobicContact CG1-CD2 4.25Å; I361-L366 HydrophobicContact CG1-CG 4.4Å
362	E	95.4	Very high	88.2	Confident	155 Å²	155	67.6 Å²	67.6	72%	0.724	37%	0.373	S	S	*	.	H	α-helix	trans	-57.4	-39.1	178.1	-175	-172.6	164.3	0	0	111.8	N358 W359 G364	N358-E362 VanDerWaalsContact O-CB 3.29Å; N358-E362 WeakPolarHBondContact O-CB 3.3Å; N358-E362 PolarHBondContact O-N 3.06Å; W359-E362 PolarHBondContact O-N 3.2Å; E362-G364 VanDerWaalsContact C-N 3.29Å; E362-G364 PolarHBondContact O-N 3.37Å
363	K	94.7	Very high	86.5	Confident	75 Å²	75	68.1 Å²	68.1	33%	0.326	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-4.5	176.3	-64.8	-66.5	-178.5	175.5	0	114.2	E271 W359 I361 F365	E271-K363 HydrophobicContact CG-CD 4.32Å; E271-K363 WeakPolarHBondContact OE1-CE 3.45Å; E271-K363 IonicContact OE1-NZ 2.65Å; E271-K363 PolarHBondContact OE1-NZ 3.5Å; E271-K363 IonicContact OE2-NZ 3.5Å; W359-K363 HydrophobicContact CD2-CG 3.97Å; W359-K363 HydrophobicContact CE3-CG 4.2Å; W359-K363 HydrophobicContact CH2-CG 4.06Å; W359-K363 HydrophobicContact CZ2-CD 4.34Å; W359-K363 HydrophobicContact CZ2-CG 3.8Å; W359-K363 HydrophobicContact CZ3-CG 4.25Å; W359-K363 WeakPolarHBondContact O-CB 3.06Å; W359-K363 VanDerWaalsContact O-CG 3.28Å; W359-K363 WeakPolarHBondContact O-CG 3.41Å; W359-K363 PolarHBondContact O-N 3.31Å; I361-K363 PolarHBondContact O-N 2.99Å; K363-F365 VanDerWaalsContact C-N 3.31Å; K363-F365 HydrophobicContact CB-CD2 3.5Å; K363-F365 HydrophobicContact CB-CE2 3.38Å; K363-F365 HydrophobicContact CB-CG 4.19Å; K363-F365 HydrophobicContact CB-CZ 3.96Å; K363-F365 HydrophobicContact CG-CD2 4.43Å; K363-F365 HydrophobicContact CG-CE2 4.05Å; K363-F365 PolarHBondContact O-N 3.27Å
364	G	94.6	Very high	84.8	Confident	62 Å²	62	72.8 Å²	72.8	64%	0.639	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	18.6	179.9	0	0	0	0	0	114.6	M360 I361 E362	M360-G364 PolarHBondContact O-N 2.98Å; I361-G364 PolarHBondContact O-N 3.37Å; E362-G364 VanDerWaalsContact C-N 3.29Å; E362-G364 PolarHBondContact O-N 3.37Å
365	F	94.3	Very high	82.9	Confident	27 Å²	27	79.7 Å²	79.7	12%	0.118	44%	0.439	C	S	.	.	S	Bend	trans	-87.6	-12.4	176.9	-55.1	-38.9	0	0	0	113.1	E271 D297 A298 F301 K302 W359 M360 K363	E271-F365 HydrophobicContact CB-CE2 4.48Å; E271-F365 HydrophobicContact CG-CE2 4.23Å; E271-F365 HydrophobicContact CG-CZ 4.16Å; D297-F365 HydrophobicContact CB-CD1 4.37Å; D297-F365 HydrophobicContact CB-CE1 3.54Å; D297-F365 HydrophobicContact CB-CE2 4.05Å; D297-F365 HydrophobicContact CB-CZ 3.34Å; A298-F365 HydrophobicContact CB-CD1 3.96Å; F301-F365 AromaticContact CD2-CD2 3.51Å; F301-F365 HydrophobicContact CD2-CD2 3.51Å; F301-F365 AromaticContact CD2-CE2 3.54Å; F301-F365 HydrophobicContact CD2-CE2 3.54Å; F301-F365 HydrophobicContact CD2-CG 4.26Å; F301-F365 HydrophobicContact CD2-CZ 4.31Å; F301-F365 AromaticContact CE2-CD2 3.98Å; F301-F365 HydrophobicContact CE2-CD2 3.98Å; F301-F365 AromaticContact CE2-CE2 3.5Å; F301-F365 HydrophobicContact CE2-CE2 3.5Å; F301-F365 VanDerWaalsContact CE2-CE2 3.5Å; F301-F365 HydrophobicContact CE2-CZ 4.15Å; K302-F365 WeakPolarHBondContact CE-O 3.46Å; W359-F365 HydrophobicContact CH2-CD2 4.31Å; W359-F365 AromaticContact CH2-CE2 3.88Å; W359-F365 HydrophobicContact CH2-CE2 3.88Å; W359-F365 AromaticContact CZ3-CD2 3.88Å; W359-F365 HydrophobicContact CZ3-CD2 3.88Å; W359-F365 AromaticContact CZ3-CE2 3.94Å; W359-F365 HydrophobicContact CZ3-CE2 3.94Å; M360-F365 HydrophobicContact CE-CB 3.65Å; M360-F365 PolarHBondContact O-N 3.01Å; M360-F365 HydrophobicContact SD-CB 4.11Å; M360-F365 HydrophobicContact SD-CD2 4.21Å; K363-F365 VanDerWaalsContact C-N 3.31Å; K363-F365 HydrophobicContact CB-CD2 3.5Å; K363-F365 HydrophobicContact CB-CE2 3.38Å; K363-F365 HydrophobicContact CB-CG 4.19Å; K363-F365 HydrophobicContact CB-CZ 3.96Å; K363-F365 HydrophobicContact CG-CD2 4.43Å; K363-F365 HydrophobicContact CG-CE2 4.05Å; K363-F365 PolarHBondContact O-N 3.27Å
366	L	90.2	Very high	80.7	Confident	28 Å²	28	83.8 Å²	83.8	15%	0.147	47%	0.466	C	S	.	.	S	Bend	trans	-136.8	138.1	177.3	-166.9	65.3	0	0	0	109.3	D357 M360 I361 D370	D357-L366 HydrophobicContact CB-CD2 4.41Å; M360-L366 HydrophobicContact CB-CB 3.82Å; M360-L366 HydrophobicContact CB-CD2 4.22Å; M360-L366 PolarHBondContact O-N 3.15Å; I361-L366 HydrophobicContact CG1-CB 4.14Å; I361-L366 HydrophobicContact CG1-CD2 4.25Å; I361-L366 HydrophobicContact CG1-CG 4.4Å; L366-D370 HydrophobicContact CD1-CB 3.52Å; L366-D370 VanDerWaalsContact CD1-O 3.25Å; L366-D370 WeakPolarHBondContact CD1-O 3.21Å; L366-D370 VanDerWaalsContact CD2-O 3.3Å; L366-D370 WeakPolarHBondContact CD2-O 3.45Å; L366-D370 HydrophobicContact CG-CB 3.83Å; L366-D370 VanDerWaalsContact CG-O 3.31Å; L366-D370 WeakPolarHBondContact CG-O 3.4Å
367	G	85.3	Confident	78.9	Confident	31 Å²	31	92.7 Å²	92.7	32%	0.32	50%	0.496	S	S	.	.			trans	-71.5	154.4	173.8	0	0	0	0	0	111.6	N369 D370	G367-N369 PolarHBondContact O-N 3.31Å; G367-N369 VanDerWaalsContact O-N 3.1Å; G367-D370 WeakPolarHBondContact CA-OD2 3.37Å; G367-D370 PolarHBondContact N-OD2 2.79Å; G367-D370 WeakPolarHBondContact O-CB 3.48Å; G367-D370 PolarHBondContact O-N 3.35Å
368	C	74.9	Confident	78.1	Confident	97 Å²	97	95.5 Å²	95.5	66%	0.655	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.1	179	-61.6	0	0	0	0	113.8
369	N	73.5	Confident	77.2	Confident	160 Å²	160	93.8 Å²	93.8	86%	0.856	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-3.9	177.5	-63.5	-20.1	0	0	0	112.9	G367 E371	G367-N369 PolarHBondContact O-N 3.31Å; G367-N369 VanDerWaalsContact O-N 3.1Å; N369-E371 VanDerWaalsContact C-N 3.25Å; N369-E371 PolarHBondContact O-N 2.91Å
370	D	67.7	Low	76.2	Confident	93 Å²	93	97.3 Å²	97.3	50%	0.497	52%	0.523	S	S	.	.			trans	-92.5	42.7	-177.4	-60.1	-30.5	0	0	0	110.5	L366 G367 T372	L366-D370 HydrophobicContact CD1-CB 3.52Å; L366-D370 VanDerWaalsContact CD1-O 3.25Å; L366-D370 WeakPolarHBondContact CD1-O 3.21Å; L366-D370 VanDerWaalsContact CD2-O 3.3Å; L366-D370 WeakPolarHBondContact CD2-O 3.45Å; L366-D370 HydrophobicContact CG-CB 3.83Å; L366-D370 VanDerWaalsContact CG-O 3.31Å; L366-D370 WeakPolarHBondContact CG-O 3.4Å; G367-D370 WeakPolarHBondContact CA-OD2 3.37Å; G367-D370 PolarHBondContact N-OD2 2.79Å; G367-D370 WeakPolarHBondContact O-CB 3.48Å; G367-D370 PolarHBondContact O-N 3.35Å; D370-T372 PolarHBondContact O-N 3.5Å
371	E	60.8	Low	75	Confident	148 Å²	148	102.9 Å²	102.9	69%	0.692	55%	0.553	S	S	*	*			trans	-54.2	145.2	175.5	-72.3	-171.2	174.3	0	0	110.4	N369 P373	N369-E371 VanDerWaalsContact C-N 3.25Å; N369-E371 PolarHBondContact O-N 2.91Å; E371-P373 VanDerWaalsContact O-N 3.17Å
372	T	61.9	Low	73.7	Confident	50 Å²	50	106.4 Å²	106.4	31%	0.307	57%	0.573	S	S	.	*			trans	-48.4	128.9	-179.8	-49.9	0	0	0	0	109.2	R305 D357 D370 T374	R305-T372 PolarHBondContact NH2-OG1 3.33Å; D357-T372 PolarHBondContact OD1-OG1 3.09Å; D357-T372 WeakPolarHBondContact OD2-CB 3.41Å; D357-T372 PolarHBondContact OD2-N 3.34Å; D357-T372 PolarHBondContact OD2-OG1 2.89Å; D370-T372 PolarHBondContact O-N 3.5Å; T372-T374 PolarHBondContact O-N 2.77Å
373	P	61	Low	72.3	Confident	99 Å²	99	103.2 Å²	103.2	64%	0.643	56%	0.563	S	S	*	*			trans	-52.8	108.5	176.8	-25.1	32.3	0	0	0	109.1	E371 K375	E371-P373 VanDerWaalsContact O-N 3.17Å; P373-K375 PolarHBondContact O-N 3.44Å
374	T	60.6	Low	70.7	Confident	123 Å²	123	105.2 Å²	105.2	76%	0.755	58%	0.58	S	S	*	*			trans	-70.3	120.5	168.5	41.2	0	0	0	0	105.5	T372 T376	T372-T374 PolarHBondContact O-N 2.77Å; T374-T376 VanDerWaalsContact C-N 3.31Å; T374-T376 PolarHBondContact O-N 3.34Å
375	K	56.6	Low	68.8	Low	146 Å²	146	108.5 Å²	108.5	64%	0.635	58%	0.575	S	S	*	*			trans	-67	98.7	174.9	-160.3	177.8	-175.8	-173.7	0	106.8	P373 W377	P373-K375 PolarHBondContact O-N 3.44Å; K375-W377 HydrophobicContact CD-CH2 4Å; K375-W377 HydrophobicContact CD-CZ2 3.93Å; K375-W377 HydrophobicContact CD-CZ3 4.34Å; K375-W377 PolarHBondContact O-N 3.15Å
376	T	50.5	Low	66.7	Low	130 Å²	130	115.3 Å²	115.3	80%	0.798	61%	0.613	S	S	*	*			trans	-65	113.1	166.8	48.2	0	0	0	0	106.6	T374	T374-T376 VanDerWaalsContact C-N 3.31Å; T374-T376 PolarHBondContact O-N 3.34Å
377	W	57.8	Low	64.6	Low	279 Å²	279	123.3 Å²	123.3	100%	1.057	66%	0.656	S	S	*	*			trans	-78	0	177	-68	101.2	0	0	0	111.7	K375	K375-W377 HydrophobicContact CD-CH2 4Å; K375-W377 HydrophobicContact CD-CZ2 3.93Å; K375-W377 HydrophobicContact CD-CZ3 4.34Å; K375-W377 PolarHBondContact O-N 3.15Å

Retrieved 377 of 377 residues in 204.5 ms (Link to these results)

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