T1VXA1_SCHMA Loading...

NAD-dependent protein deacetylase

AlphaFold DB , UniProt , Accession T1VXA1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene Sirt2, Length 337 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	42.1	Very low	62.1	Low	228 Å²	228	122.6 Å²	122.6	100%	1.123	65%	0.647	S	S	*	*				0	107.2	0	-74.6	-174.3	-88.1	0	0	107.3
2	S	54.1	Low	62.3	Low	124 Å²	124	122.5 Å²	122.5	87%	0.867	65%	0.646	S	S	*	*			trans	-73.4	128.1	169.4	48.8	0	0	0	0	108	D4	S2-D4 PolarHBondContact O-N 2.68Å
3	F	61.1	Low	62.1	Low	178 Å²	178	124.1 Å²	124.1	78%	0.781	65%	0.645	S	S	*	*			trans	-74.1	118.3	179.7	-89.7	-98.9	0	0	0	109.6	F5	F3-F5 PolarHBondContact O-N 3.31Å
4	D	74.2	Confident	60.9	Low	104 Å²	104	118.2 Å²	118.2	56%	0.556	63%	0.63	S	S	*	*			trans	-77.3	74.8	172.7	-177.8	13.1	0	0	0	110.5	S2 L6 G7 I8	S2-D4 PolarHBondContact O-N 2.68Å; D4-L6 PolarHBondContact O-N 3.17Å; D4-L6 PolarHBondContact OD1-N 3.35Å; D4-G7 PolarHBondContact O-N 2.99Å; D4-G7 PolarHBondContact OD1-N 2.91Å; D4-G7 WeakPolarHBondContact OD2-CA 3.47Å; D4-I8 WeakPolarHBondContact O-CG1 3.33Å; D4-I8 PolarHBondContact O-N 3.29Å
5	F	67.8	Low	60.4	Low	161 Å²	161	116.8 Å²	116.8	71%	0.706	62%	0.622	S	S	*	*	H	α-helix	trans	-63.1	-30.3	-179.8	-144.7	-92.2	0	0	0	111.8	F3 K9	F3-F5 PolarHBondContact O-N 3.31Å; F5-K9 WeakPolarHBondContact O-CB 3.29Å; F5-K9 PolarHBondContact O-N 2.65Å; F5-K9 VanDerWaalsContact O-N 3.16Å
6	L	61.3	Low	59.5	Low	113 Å²	113	118.6 Å²	118.6	59%	0.592	63%	0.632	S	S	*	*	H	α-helix	trans	-76	-42.2	-177.9	-154.7	77.5	0	0	0	111.3	D4 K9 K10	D4-L6 PolarHBondContact O-N 3.17Å; D4-L6 PolarHBondContact OD1-N 3.35Å; L6-K9 PolarHBondContact O-N 3.09Å; L6-K10 WeakPolarHBondContact O-CB 3.48Å; L6-K10 PolarHBondContact O-N 2.86Å
7	G	67.5	Low	59.1	Low	27 Å²	27	117.2 Å²	117.2	28%	0.278	63%	0.629	S	S	.	*	H	α-helix	trans	-62.7	-41.7	175.5	0	0	0	0	0	113	D4 K10 A11	D4-G7 PolarHBondContact O-N 2.99Å; D4-G7 PolarHBondContact OD1-N 2.91Å; D4-G7 WeakPolarHBondContact OD2-CA 3.47Å; G7-K10 PolarHBondContact O-N 3.14Å; G7-A11 WeakPolarHBondContact O-CB 3.28Å; G7-A11 PolarHBondContact O-N 3.18Å
8	I	72.3	Confident	58.9	Low	92 Å²	92	116.6 Å²	116.6	47%	0.472	63%	0.632	S	S	.	*	H	α-helix	trans	-65.1	-44.6	175.6	-66.3	170.1	0	0	0	110.9	D4 K10 A11 L12	D4-I8 WeakPolarHBondContact O-CG1 3.33Å; D4-I8 PolarHBondContact O-N 3.29Å; I8-K10 VanDerWaalsContact C-N 3.29Å; I8-K10 PolarHBondContact O-N 3.32Å; I8-A11 PolarHBondContact O-N 3.38Å; I8-L12 HydrophobicContact CG2-CD1 3.58Å; I8-L12 HydrophobicContact CG2-CG 4.26Å; I8-L12 WeakPolarHBondContact O-CB 3.22Å; I8-L12 WeakPolarHBondContact O-CG 3.44Å; I8-L12 PolarHBondContact O-N 3.2Å
9	K	59.9	Low	59.3	Low	128 Å²	128	119.5 Å²	119.5	56%	0.557	63%	0.633	S	S	*	*	H	α-helix	trans	-62	-39.3	178.6	-158.8	179.5	-175.3	-175.7	0	111.4	F5 L6 L12 F13	F5-K9 WeakPolarHBondContact O-CB 3.29Å; F5-K9 PolarHBondContact O-N 2.65Å; F5-K9 VanDerWaalsContact O-N 3.16Å; L6-K9 PolarHBondContact O-N 3.09Å; K9-L12 PolarHBondContact O-N 3.19Å; K9-F13 HydrophobicContact CG-CD2 3.87Å; K9-F13 HydrophobicContact CG-CE2 4.44Å; K9-F13 WeakPolarHBondContact O-CB 3.34Å; K9-F13 WeakPolarHBondContact O-CD2 3.01Å; K9-F13 PolarHBondContact O-N 3.11Å
10	K	56.8	Low	59.8	Low	106 Å²	106	114.8 Å²	114.8	46%	0.461	61%	0.61	S	S	.	*	H	α-helix	trans	-66.6	-39.8	176	-171.3	169.5	-174.5	137.2	0	112.9	L6 G7 I8 G14 D15	L6-K10 WeakPolarHBondContact O-CB 3.48Å; L6-K10 PolarHBondContact O-N 2.86Å; G7-K10 PolarHBondContact O-N 3.14Å; I8-K10 VanDerWaalsContact C-N 3.29Å; I8-K10 PolarHBondContact O-N 3.32Å; K10-G14 PolarHBondContact O-N 3.08Å; K10-D15 WeakPolarHBondContact CE-OD2 3.45Å; K10-D15 IonicContact NZ-OD1 3.39Å; K10-D15 IonicContact NZ-OD2 2.79Å; K10-D15 PolarHBondContact NZ-OD2 3.42Å
11	A	65.8	Low	60.9	Low	88 Å²	88	116.8 Å²	116.8	73%	0.727	62%	0.615	S	S	*	*	H	α-helix	trans	-69	-36.7	176.7	0	0	0	0	0	112.7	G7 I8	G7-A11 WeakPolarHBondContact O-CB 3.28Å; G7-A11 PolarHBondContact O-N 3.18Å; I8-A11 PolarHBondContact O-N 3.38Å
12	L	64.4	Low	63.3	Low	121 Å²	121	107.1 Å²	107.1	63%	0.634	57%	0.568	S	S	*	*	H	α-helix	trans	-85	-35.8	-175.5	-71	173.7	0	0	0	114.1	I8 K9	I8-L12 HydrophobicContact CG2-CD1 3.58Å; I8-L12 HydrophobicContact CG2-CG 4.26Å; I8-L12 WeakPolarHBondContact O-CB 3.22Å; I8-L12 WeakPolarHBondContact O-CG 3.44Å; I8-L12 PolarHBondContact O-N 3.2Å; K9-L12 PolarHBondContact O-N 3.19Å
13	F	59.3	Low	65.1	Low	143 Å²	143	108.2 Å²	108.2	63%	0.627	56%	0.557	S	S	*	*	H	α-helix	trans	-117.8	2.5	-167.9	-59.4	-72.9	0	0	0	114.7	K9	K9-F13 HydrophobicContact CG-CD2 3.87Å; K9-F13 HydrophobicContact CG-CE2 4.44Å; K9-F13 WeakPolarHBondContact O-CB 3.34Å; K9-F13 WeakPolarHBondContact O-CD2 3.01Å; K9-F13 PolarHBondContact O-N 3.11Å
14	G	46.5	Very low	66.7	Low	42 Å²	42	101.7 Å²	101.7	43%	0.433	53%	0.534	S	S	.	.			trans	70.2	167.9	-170.8	0	0	0	0	0	112.4	K10 N16	K10-G14 PolarHBondContact O-N 3.08Å; G14-N16 PolarHBondContact O-N 3.38Å
15	D	52.3	Low	67.8	Low	97 Å²	97	100.6 Å²	100.6	52%	0.519	53%	0.528	S	S	.	.	S	Bend	trans	-80.2	68.3	179.1	-151.6	-5.9	0	0	0	110.3	K10 T17	K10-D15 WeakPolarHBondContact CE-OD2 3.45Å; K10-D15 IonicContact NZ-OD1 3.39Å; K10-D15 IonicContact NZ-OD2 2.79Å; K10-D15 PolarHBondContact NZ-OD2 3.42Å; D15-T17 PolarHBondContact OD1-OG1 3.09Å
16	N	47.3	Very low	69.2	Low	145 Å²	145	96 Å²	96	78%	0.775	51%	0.511	S	S	*	.			trans	-86	15	170.4	-85.6	-16.3	0	0	0	112.1	G14 P18	G14-N16 PolarHBondContact O-N 3.38Å; N16-P18 VanDerWaalsContact O-CD 3.28Å; N16-P18 WeakPolarHBondContact O-CD 3.47Å; N16-P18 VanDerWaalsContact O-N 3.13Å
17	T	52.3	Low	70.9	Confident	96 Å²	96	90.9 Å²	90.9	59%	0.589	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-58.4	118.3	176.9	-32	0	0	0	0	108	D15 R19	D15-T17 PolarHBondContact OD1-OG1 3.09Å; T17-R19 PolarHBondContact O-N 3.09Å
18	P	55.1	Low	72.4	Confident	105 Å²	105	92.9 Å²	92.9	68%	0.682	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-52	133.9	175.5	-24	33	0	0	0	108.8	N16	N16-P18 VanDerWaalsContact O-CD 3.28Å; N16-P18 WeakPolarHBondContact O-CD 3.47Å; N16-P18 VanDerWaalsContact O-N 3.13Å
19	R	66.3	Low	73.6	Confident	172 Å²	172	88.6 Å²	88.6	65%	0.649	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-60.1	149.5	178.3	-67.7	-171	-170.3	-169	11.4	109.3	T17 E21 D240	T17-R19 PolarHBondContact O-N 3.09Å; R19-E21 PolarHBondContact O-N 2.97Å; R19-E21 VanDerWaalsContact O-N 3.09Å; R19-D240 IonicContact CZ-OD2 3.56Å; R19-D240 IonicContact NE-OD2 3.96Å; R19-D240 IonicContact NH1-OD2 2.65Å; R19-D240 PolarHBondContact NH1-OD2 2.76Å
20	P	70.3	Confident	75.4	Confident	26 Å²	26	82.5 Å²	82.5	17%	0.169	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-56	118.4	-176.5	-19.3	28.8	0	0	0	111	L33 Q38 D216 P242	P20-L33 HydrophobicContact CB-CD1 3.62Å; P20-L33 HydrophobicContact CB-CD2 3.72Å; P20-L33 HydrophobicContact CB-CG 3.95Å; P20-Q38 HydrophobicContact CB-CB 4.41Å; P20-D216 HydrophobicContact CG-CB 4.32Å; P20-P242 HydrophobicContact CB-CG 4.45Å
21	E	82.5	Confident	77.4	Confident	156 Å²	156	77.6 Å²	77.6	73%	0.729	42%	0.417	S	S	*	.			trans	-108.2	118.5	178.1	-171.6	173.7	-162.1	0	0	110.3	R19 K23 L33	R19-E21 PolarHBondContact O-N 2.97Å; R19-E21 VanDerWaalsContact O-N 3.09Å; E21-K23 PolarHBondContact O-N 2.79Å; E21-L33 WeakPolarHBondContact O-CD1 3.37Å
22	L	92.2	Very high	78.9	Confident	25 Å²	25	76.8 Å²	76.8	13%	0.131	40%	0.398	C	S	.	.			trans	-72.1	118.4	176.2	-71.7	169.4	0	0	0	110.2	S24 L25 V30 L33 P242 I287	L22-S24 PolarHBondContact O-N 2.91Å; L22-L25 HydrophobicContact CD1-CD2 3.86Å; L22-V30 HydrophobicContact CD2-CG2 4.15Å; L22-L33 HydrophobicContact CD2-CD2 4.44Å; L22-P242 HydrophobicContact CD1-CB 4.04Å; L22-P242 HydrophobicContact CD1-CG 4.19Å; L22-P242 HydrophobicContact CD2-CB 4.24Å; L22-P242 HydrophobicContact CD2-CG 4.29Å; L22-P242 HydrophobicContact CG-CB 4.21Å; L22-P242 HydrophobicContact CG-CG 3.98Å; L22-I287 HydrophobicContact CD1-CD1 3.46Å; L22-I287 VanDerWaalsContact CD1-CD1 3.46Å; L22-I287 HydrophobicContact CD2-CD1 4.31Å
23	K	91.7	Very high	80.4	Confident	147 Å²	147	71.1 Å²	71.1	64%	0.639	37%	0.369	S	S	*	.	S	Bend	trans	-68.2	-21.9	171.2	-68.1	172.1	177.6	159.8	0	112.8	E21 Q32 D36	E21-K23 PolarHBondContact O-N 2.79Å; K23-Q32 HydrophobicContact CD-CG 3.98Å; K23-D36 IonicContact NZ-OD1 3.77Å; K23-D36 IonicContact NZ-OD2 3.21Å; K23-D36 PolarHBondContact NZ-OD2 2.77Å
24	S	95.6	Very high	82.2	Confident	42 Å²	42	64.9 Å²	64.9	29%	0.294	34%	0.341	S	S	.	.	S	Bend	trans	-152.7	147	175.4	53.9	0	0	0	0	111.3	L22 N26 G29	L22-S24 PolarHBondContact O-N 2.91Å; S24-N26 VanDerWaalsContact CB-OD1 3.31Å; S24-N26 WeakPolarHBondContact CB-OD1 3.46Å; S24-N26 PolarHBondContact O-N 2.82Å; S24-N26 VanDerWaalsContact O-N 3.09Å; S24-N26 PolarHBondContact OG-OD1 3.11Å; S24-G29 WeakPolarHBondContact OG-CA 3.29Å; S24-G29 PolarHBondContact OG-N 2.95Å
25	L	95.6	Very high	84.6	Confident	81 Å²	81	67.6 Å²	67.6	42%	0.424	34%	0.343	S	S	.	.	S	Bend	trans	-87.1	53	179.5	-64.2	176.9	0	0	0	111.9	L22 N283	L22-L25 HydrophobicContact CD1-CD2 3.86Å; L25-N283 HydrophobicContact CD1-CB 4.44Å
26	N	97.4	Very high	86.6	Confident	64 Å²	64	66.1 Å²	66.1	34%	0.342	34%	0.335	S	S	.	.	S	Bend	trans	-146.4	178	179.3	60.6	11.6	0	0	0	110.6	S24 E28 G29 V30	S24-N26 VanDerWaalsContact CB-OD1 3.31Å; S24-N26 WeakPolarHBondContact CB-OD1 3.46Å; S24-N26 PolarHBondContact O-N 2.82Å; S24-N26 VanDerWaalsContact O-N 3.09Å; S24-N26 PolarHBondContact OG-OD1 3.11Å; N26-E28 VanDerWaalsContact C-N 3.25Å; N26-E28 VanDerWaalsContact CG-OE2 3.28Å; N26-E28 PolarHBondContact ND2-OE2 3.39Å; N26-E28 PolarHBondContact O-N 2.78Å; N26-E28 PolarHBondContact OD1-N 3.25Å; N26-G29 PolarHBondContact O-N 3.36Å; N26-G29 VanDerWaalsContact O-N 3.13Å; N26-G29 PolarHBondContact OD1-N 3.49Å; N26-V30 PolarHBondContact O-N 2.95Å
27	I	98.1	Very high	88.8	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-66	-29.5	-176.6	-163.4	166.5	0	0	0	112.2	G29 V30 A31 L244 W289 K299 I300 L303	I27-G29 VanDerWaalsContact C-N 3.35Å; I27-V30 PolarHBondContact O-N 3.24Å; I27-A31 PolarHBondContact O-N 3.4Å; I27-L244 HydrophobicContact CD1-CD2 4.43Å; I27-L244 HydrophobicContact CG1-CD1 4.28Å; I27-L244 HydrophobicContact CG1-CD2 4.22Å; I27-W289 HydrophobicContact CD1-CB 4.36Å; I27-W289 HydrophobicContact CD1-CG 3.97Å; I27-K299 HydrophobicContact CD1-CG 4.22Å; I27-K299 HydrophobicContact CG2-CG 4.17Å; I27-I300 HydrophobicContact CD1-CB 3.98Å; I27-I300 HydrophobicContact CG1-CB 4.15Å; I27-I300 HydrophobicContact CG1-CD1 4.39Å; I27-I300 HydrophobicContact CG1-CG1 4.17Å; I27-L303 HydrophobicContact CG1-CD1 4.49Å; I27-L303 HydrophobicContact CG2-CD1 3.92Å
28	E	98.2	Very high	90.7	Very high	70 Å²	70	59.5 Å²	59.5	33%	0.327	30%	0.304	S	S	.	.	H	α-helix	trans	-60.4	-42.3	171.4	-68	70	-159.4	0	0	111.8	N26 V30 A31 Q32 K299 L303	N26-E28 VanDerWaalsContact C-N 3.25Å; N26-E28 VanDerWaalsContact CG-OE2 3.28Å; N26-E28 PolarHBondContact ND2-OE2 3.39Å; N26-E28 PolarHBondContact O-N 2.78Å; N26-E28 PolarHBondContact OD1-N 3.25Å; E28-V30 VanDerWaalsContact C-N 3.3Å; E28-V30 PolarHBondContact O-N 2.97Å; E28-A31 PolarHBondContact O-N 2.96Å; E28-Q32 WeakPolarHBondContact O-CB 3.43Å; E28-Q32 PolarHBondContact O-N 3.16Å; E28-K299 WeakPolarHBondContact OE1-CE 3.21Å; E28-K299 IonicContact OE1-NZ 2.94Å; E28-K299 PolarHBondContact OE1-NZ 3.37Å; E28-L303 HydrophobicContact CG-CD1 4.01Å; E28-L303 HydrophobicContact CG-CD2 3.89Å
29	G	97.8	Very high	92.7	Very high	2 Å²	2	54.5 Å²	54.5	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-36.6	176.7	0	0	0	0	0	112.6	S24 N26 I27 L33	S24-G29 WeakPolarHBondContact OG-CA 3.29Å; S24-G29 PolarHBondContact OG-N 2.95Å; N26-G29 PolarHBondContact O-N 3.36Å; N26-G29 VanDerWaalsContact O-N 3.13Å; N26-G29 PolarHBondContact OD1-N 3.49Å; I27-G29 VanDerWaalsContact C-N 3.35Å; G29-L33 WeakPolarHBondContact O-CB 3.46Å; G29-L33 PolarHBondContact O-N 3.37Å
30	V	98.2	Very high	94.1	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.7	-43.2	174.5	-179.2	0	0	0	0	111.1	L22 N26 I27 E28 Q32 L33 I34 L217 L244 I287 I300	L22-V30 HydrophobicContact CD2-CG2 4.15Å; N26-V30 PolarHBondContact O-N 2.95Å; I27-V30 PolarHBondContact O-N 3.24Å; E28-V30 VanDerWaalsContact C-N 3.3Å; E28-V30 PolarHBondContact O-N 2.97Å; V30-Q32 VanDerWaalsContact C-N 3.34Å; V30-Q32 PolarHBondContact O-N 3.39Å; V30-L33 WeakPolarHBondContact O-CB 3.36Å; V30-L33 PolarHBondContact O-N 2.67Å; V30-I34 HydrophobicContact CG1-CD1 4.37Å; V30-I34 WeakPolarHBondContact O-CG1 3.36Å; V30-I34 PolarHBondContact O-N 3.14Å; V30-L217 HydrophobicContact CG1-CD1 3.9Å; V30-L217 HydrophobicContact CG1-CD2 3.82Å; V30-L244 HydrophobicContact CG1-CB 4.46Å; V30-L244 HydrophobicContact CG1-CD2 4.12Å; V30-L244 HydrophobicContact CG2-CB 4.28Å; V30-I287 HydrophobicContact CG2-CB 4.45Å; V30-I287 HydrophobicContact CG2-CD1 3.73Å; V30-I287 HydrophobicContact CG2-CG1 3.91Å; V30-I300 HydrophobicContact CG1-CD1 4.1Å
31	A	98.3	Very high	95.4	Very high	2 Å²	2	52.1 Å²	52.1	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-44.1	177	0	0	0	0	0	111.6	I27 E28 L33 I34 Q35 I300 L303 L304	I27-A31 PolarHBondContact O-N 3.4Å; E28-A31 PolarHBondContact O-N 2.96Å; A31-L33 VanDerWaalsContact C-N 3.32Å; A31-L33 PolarHBondContact O-N 2.66Å; A31-I34 PolarHBondContact O-N 3.11Å; A31-Q35 WeakPolarHBondContact O-CG 3.36Å; A31-Q35 PolarHBondContact O-N 2.73Å; A31-I300 HydrophobicContact CB-CG1 4.34Å; A31-L303 HydrophobicContact CB-CB 3.47Å; A31-L303 VanDerWaalsContact CB-CB 3.47Å; A31-L303 HydrophobicContact CB-CD1 4.12Å; A31-L303 HydrophobicContact CB-CG 4.41Å; A31-L304 HydrophobicContact CB-CD2 3.98Å; A31-L304 HydrophobicContact CB-CG 4.16Å; A31-L304 WeakPolarHBondContact O-CD2 3.36Å
32	Q	97.3	Very high	96.1	Very high	72 Å²	72	44.7 Å²	44.7	34%	0.336	23%	0.233	S	C	.	.	H	α-helix	trans	-61.6	-39.9	176.4	-170.4	66.3	62.6	0	0	111.9	K23 E28 V30 I34 Q35 D36	K23-Q32 HydrophobicContact CD-CG 3.98Å; E28-Q32 WeakPolarHBondContact O-CB 3.43Å; E28-Q32 PolarHBondContact O-N 3.16Å; V30-Q32 VanDerWaalsContact C-N 3.34Å; V30-Q32 PolarHBondContact O-N 3.39Å; Q32-I34 VanDerWaalsContact C-N 3.29Å; Q32-I34 PolarHBondContact O-N 2.65Å; Q32-Q35 PolarHBondContact O-N 3.23Å; Q32-D36 PolarHBondContact NE2-OD1 2.83Å; Q32-D36 VanDerWaalsContact O-CB 3.31Å; Q32-D36 WeakPolarHBondContact O-CB 3.26Å; Q32-D36 PolarHBondContact O-N 3.17Å
33	L	96	Very high	96.5	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-40.8	177.2	-163.1	82.7	0	0	0	112.3	P20 E21 L22 G29 V30 A31 Q38 V39 P242	P20-L33 HydrophobicContact CB-CD1 3.62Å; P20-L33 HydrophobicContact CB-CD2 3.72Å; P20-L33 HydrophobicContact CB-CG 3.95Å; E21-L33 WeakPolarHBondContact O-CD1 3.37Å; L22-L33 HydrophobicContact CD2-CD2 4.44Å; G29-L33 WeakPolarHBondContact O-CB 3.46Å; G29-L33 PolarHBondContact O-N 3.37Å; V30-L33 WeakPolarHBondContact O-CB 3.36Å; V30-L33 PolarHBondContact O-N 2.67Å; A31-L33 VanDerWaalsContact C-N 3.32Å; A31-L33 PolarHBondContact O-N 2.66Å; L33-Q38 HydrophobicContact CD1-CB 4.32Å; L33-Q38 HydrophobicContact CG-CB 4.28Å; L33-Q38 PolarHBondContact O-N 3.34Å; L33-V39 HydrophobicContact CB-CG2 4.34Å; L33-V39 HydrophobicContact CD2-CG2 3.36Å; L33-V39 HydrophobicContact CG-CG2 3.69Å; L33-P242 HydrophobicContact CD2-CB 4.4Å; L33-P242 HydrophobicContact CD2-CG 3.83Å
34	I	97.1	Very high	96.8	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.056	20%	0.196	C	C	.	.	H	α-helix	trans	-70.3	-45.1	176	-63.9	167.5	0	0	0	110.3	V30 A31 Q32 D36 G37 V39 I42 L123 L217 I300 L304 W306	V30-I34 HydrophobicContact CG1-CD1 4.37Å; V30-I34 WeakPolarHBondContact O-CG1 3.36Å; V30-I34 PolarHBondContact O-N 3.14Å; A31-I34 PolarHBondContact O-N 3.11Å; Q32-I34 VanDerWaalsContact C-N 3.29Å; Q32-I34 PolarHBondContact O-N 2.65Å; I34-D36 VanDerWaalsContact C-N 3.31Å; I34-D36 PolarHBondContact O-N 3.1Å; I34-G37 PolarHBondContact O-N 2.73Å; I34-V39 HydrophobicContact CG1-CB 4.16Å; I34-V39 HydrophobicContact CG1-CG1 4.28Å; I34-V39 HydrophobicContact CG1-CG2 4.28Å; I34-I42 HydrophobicContact CD1-CD1 4.38Å; I34-L123 HydrophobicContact CG2-CD1 3.96Å; I34-L217 HydrophobicContact CD1-CD2 3.8Å; I34-L217 HydrophobicContact CG1-CD2 3.96Å; I34-I300 HydrophobicContact CD1-CD1 4.44Å; I34-L304 HydrophobicContact CB-CD2 3.75Å; I34-L304 HydrophobicContact CD1-CD1 4.19Å; I34-L304 HydrophobicContact CD1-CD2 4.2Å; I34-L304 HydrophobicContact CG2-CD2 3.73Å; I34-W306 HydrophobicContact CG2-CH2 3.77Å; I34-W306 HydrophobicContact CG2-CZ2 4.08Å
35	Q	96.1	Very high	96.9	Very high	99 Å²	99	34.5 Å²	34.5	46%	0.463	18%	0.182	S	C	.	.	H	α-helix	trans	-63.8	-34.8	178.9	-75.5	172.5	-40.2	0	0	113.1	A31 Q32 G37 L303 L304	A31-Q35 WeakPolarHBondContact O-CG 3.36Å; A31-Q35 PolarHBondContact O-N 2.73Å; Q32-Q35 PolarHBondContact O-N 3.23Å; Q35-G37 PolarHBondContact O-N 3.11Å; Q35-L303 PolarHBondContact NE2-O 2.85Å; Q35-L304 HydrophobicContact CG-CD2 3.98Å
36	D	94.9	Very high	97.1	Very high	66 Å²	66	30.6 Å²	30.6	35%	0.353	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-3.7	175.9	-71.2	-8.1	0	0	0	112.5	K23 Q32 I34 Q38	K23-D36 IonicContact NZ-OD1 3.77Å; K23-D36 IonicContact NZ-OD2 3.21Å; K23-D36 PolarHBondContact NZ-OD2 2.77Å; Q32-D36 PolarHBondContact NE2-OD1 2.83Å; Q32-D36 VanDerWaalsContact O-CB 3.31Å; Q32-D36 WeakPolarHBondContact O-CB 3.26Å; Q32-D36 PolarHBondContact O-N 3.17Å; I34-D36 VanDerWaalsContact C-N 3.31Å; I34-D36 PolarHBondContact O-N 3.1Å; D36-Q38 VanDerWaalsContact C-N 3.25Å; D36-Q38 HydrophobicContact CB-CG 4.1Å; D36-Q38 PolarHBondContact O-N 3.02Å
37	G	93.8	Very high	97.1	Very high	44 Å²	44	27.7 Å²	27.7	45%	0.454	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	14.7	-179.8	0	0	0	0	0	114.3	I34 Q35 V39 N40	I34-G37 PolarHBondContact O-N 2.73Å; Q35-G37 PolarHBondContact O-N 3.11Å; G37-V39 VanDerWaalsContact C-N 3.25Å; G37-V39 PolarHBondContact O-N 3.14Å; G37-N40 PolarHBondContact O-ND2 3.08Å
38	Q	92.6	Very high	96.9	Very high	58 Å²	58	28.2 Å²	28.2	27%	0.271	15%	0.152	S	C	.	.			trans	-78.8	-10.3	179.7	-62.5	-176.6	54.7	0	0	112.8	P20 L33 D36	P20-Q38 HydrophobicContact CB-CB 4.41Å; L33-Q38 HydrophobicContact CD1-CB 4.32Å; L33-Q38 HydrophobicContact CG-CB 4.28Å; L33-Q38 PolarHBondContact O-N 3.34Å; D36-Q38 VanDerWaalsContact C-N 3.25Å; D36-Q38 HydrophobicContact CB-CG 4.1Å; D36-Q38 PolarHBondContact O-N 3.02Å
39	V	95.7	Very high	96.7	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	14%	0.144	C	C	.	.			trans	-119.2	127.1	-178.5	175.5	0	0	0	0	109.5	L33 I34 G37 I42 L123 D216 L217	L33-V39 HydrophobicContact CB-CG2 4.34Å; L33-V39 HydrophobicContact CD2-CG2 3.36Å; L33-V39 HydrophobicContact CG-CG2 3.69Å; I34-V39 HydrophobicContact CG1-CB 4.16Å; I34-V39 HydrophobicContact CG1-CG1 4.28Å; I34-V39 HydrophobicContact CG1-CG2 4.28Å; G37-V39 VanDerWaalsContact C-N 3.25Å; G37-V39 PolarHBondContact O-N 3.14Å; V39-I42 HydrophobicContact CG1-CD1 3.76Å; V39-I42 HydrophobicContact CG1-CG1 3.34Å; V39-L123 VanDerWaalsContact O-CD2 3.25Å; V39-L123 WeakPolarHBondContact O-CD2 3.2Å; V39-D216 WeakPolarHBondContact CG1-OD1 3.32Å; V39-L217 HydrophobicContact CG1-CB 3.68Å; V39-L217 HydrophobicContact CG1-CD2 3.99Å; V39-L217 HydrophobicContact CG1-CG 4.49Å; V39-L217 HydrophobicContact CG2-CB 4.05Å; V39-L217 HydrophobicContact CG2-CD2 4.36Å
40	N	95.8	Very high	96.8	Very high	76 Å²	76	25.6 Å²	25.6	41%	0.406	14%	0.143	S	C	.	.			trans	-136.6	-10.8	179.3	-61.6	-76.6	0	0	0	113	G37 L123 D216	G37-N40 PolarHBondContact O-ND2 3.08Å; N40-L123 CarbonylContact C-O 3.59Å; N40-D216 PolarHBondContact N-OD2 3.43Å
41	K	98	Very high	96.7	Very high	71 Å²	71	25.6 Å²	25.6	31%	0.309	14%	0.143	S	C	.	.			trans	-137	68.1	-170.6	-70.8	-178.2	-177.6	171.9	0	111.2	L125 N214 C215 D216	K41-L125 HydrophobicContact CB-CB 4.12Å; K41-L125 HydrophobicContact CB-CD2 4.15Å; K41-N214 WeakPolarHBondContact CB-O 3.49Å; K41-N214 HydrophobicContact CD-CB 4.08Å; K41-N214 WeakPolarHBondContact CD-O 3.31Å; K41-N214 PolarHBondContact NZ-OD1 2.72Å; K41-N214 VanDerWaalsContact NZ-OD1 3.16Å; K41-C215 WeakPolarHBondContact O-CA 3.32Å; K41-D216 VanDerWaalsContact CA-OD1 3.27Å; K41-D216 WeakPolarHBondContact CA-OD1 3.21Å; K41-D216 VanDerWaalsContact N-CG 3.26Å; K41-D216 PolarHBondContact N-OD1 3.18Å; K41-D216 PolarHBondContact N-OD2 3.32Å; K41-D216 PolarHBondContact O-N 3.05Å
42	I	98.7	Very high	96.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	129.2	179.3	-57.2	177.8	0	0	0	110.2	I34 V39 T44 L118 L123 L125 L217 I219	I34-I42 HydrophobicContact CD1-CD1 4.38Å; V39-I42 HydrophobicContact CG1-CD1 3.76Å; V39-I42 HydrophobicContact CG1-CG1 3.34Å; I42-T44 HydrophobicContact CG2-CG2 4.08Å; I42-L118 HydrophobicContact CD1-CD1 4.4Å; I42-L118 HydrophobicContact CD1-CD2 3.87Å; I42-L118 HydrophobicContact CG2-CD1 4.09Å; I42-L123 WeakPolarHBondContact CB-O 3.38Å; I42-L123 HydrophobicContact CD1-CB 3.85Å; I42-L123 HydrophobicContact CD1-CD1 4.34Å; I42-L123 HydrophobicContact CG1-CB 4.3Å; I42-L123 PolarHBondContact N-O 2.83Å; I42-L125 WeakPolarHBondContact O-CB 3.2Å; I42-L125 PolarHBondContact O-N 3.33Å; I42-L217 WeakPolarHBondContact CA-O 3.13Å; I42-L217 HydrophobicContact CD1-CD2 4.07Å; I42-L217 HydrophobicContact CG1-CB 4.22Å; I42-L217 HydrophobicContact CG1-CD2 4.16Å; I42-I219 HydrophobicContact CG2-CD1 3.8Å; I42-I219 HydrophobicContact CG2-CG1 3.97Å
43	I	98.8	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.8	161.8	-66	-178.6	0	0	0	108.8	M45 L125 R126 Y128 D211 L212 C215 L217 L218 I219	I43-M45 HydrophobicContact CG2-CG 4.42Å; I43-L125 HydrophobicContact CD1-CD2 4.24Å; I43-L125 HydrophobicContact CG1-CB 4.34Å; I43-L125 HydrophobicContact CG1-CD2 4.08Å; I43-L125 HydrophobicContact CG1-CG 4.47Å; I43-R126 WeakPolarHBondContact CA-O 3.39Å; I43-Y128 HydrophobicContact CG2-CD2 3.84Å; I43-Y128 HydrophobicContact CG2-CE2 4.16Å; I43-D211 HydrophobicContact CD1-CB 3.81Å; I43-D211 WeakPolarHBondContact CD1-O 3.48Å; I43-L212 HydrophobicContact CD1-CD2 4.09Å; I43-C215 HydrophobicContact CD1-CB 3.67Å; I43-C215 HydrophobicContact CG1-CB 4.03Å; I43-L217 PolarHBondContact N-O 3.36Å; I43-L218 HydrophobicContact CB-CD1 3.86Å; I43-L218 HydrophobicContact CG2-CD1 3.69Å; I43-L218 WeakPolarHBondContact O-CA 3.02Å; I43-I219 PolarHBondContact O-N 3.39Å
44	T	98.9	Very high	96.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.3	169.6	57.8	0	0	0	0	110.5	I42 I115 L118 L124 R126 H127 Y128 I219	I42-T44 HydrophobicContact CG2-CG2 4.08Å; T44-I115 HydrophobicContact CG2-CG1 4.33Å; T44-L118 HydrophobicContact CG2-CD1 3.75Å; T44-L124 HydrophobicContact CG2-CD1 3.96Å; T44-R126 PolarHBondContact N-O 3.08Å; T44-R126 VanDerWaalsContact N-O 3.07Å; T44-H127 WeakPolarHBondContact OG1-CA 3.31Å; T44-H127 PolarHBondContact OG1-ND1 3.21Å; T44-Y128 PolarHBondContact O-N 2.88Å; T44-I219 CarbonylContact C-O 3.58Å; T44-I219 VanDerWaalsContact CA-O 3.23Å; T44-I219 WeakPolarHBondContact CA-O 3.31Å; T44-I219 HydrophobicContact CG2-CB 4.26Å
45	M	98.7	Very high	96	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.1	174.3	-73.6	178	64.4	0	0	109.4	I43 Y128 L218 I219 I220 M221 L225 F230 M233 I234	I43-M45 HydrophobicContact CG2-CG 4.42Å; M45-Y128 CarbonylContact C-O 3.53Å; M45-Y128 VanDerWaalsContact CA-O 3.31Å; M45-Y128 WeakPolarHBondContact CA-O 3.4Å; M45-L218 HydrophobicContact CG-CD1 4.06Å; M45-L218 HydrophobicContact SD-CD1 3.91Å; M45-L218 HydrophobicContact SD-CD2 4.31Å; M45-I219 PolarHBondContact N-O 2.89Å; M45-I220 HydrophobicContact CB-CG1 4.29Å; M45-I220 CarbonylContact O-C 3.49Å; M45-I220 VanDerWaalsContact O-CA 3.26Å; M45-I220 WeakPolarHBondContact O-CA 3.23Å; M45-M221 PolarHBondContact O-N 2.8Å; M45-L225 HydrophobicContact CE-CD2 4.46Å; M45-F230 HydrophobicContact CB-CE1 4.11Å; M45-F230 HydrophobicContact CB-CZ 4.05Å; M45-F230 HydrophobicContact CE-CD1 3.71Å; M45-F230 HydrophobicContact CE-CE1 3.47Å; M45-F230 VanDerWaalsContact CE-CE1 3.47Å; M45-F230 HydrophobicContact CE-CG 4.42Å; M45-F230 HydrophobicContact CE-CZ 4.02Å; M45-F230 VanDerWaalsContact CE-O 3.24Å; M45-F230 WeakPolarHBondContact CE-O 3.47Å; M45-F230 HydrophobicContact CG-CZ 4.29Å; M45-M233 HydrophobicContact CE-CB 3.75Å; M45-M233 HydrophobicContact CE-CE 4.41Å; M45-M233 HydrophobicContact CE-CG 4.35Å; M45-M233 HydrophobicContact CE-SD 4.03Å; M45-M233 HydrophobicContact CG-CE 4.1Å; M45-M233 HydrophobicContact SD-CB 3.77Å; M45-M233 HydrophobicContact SD-CE 3.97Å; M45-M233 HydrophobicContact SD-SD 4.36Å; M45-I234 HydrophobicContact CE-CG2 3.9Å; M45-I234 HydrophobicContact SD-CG2 3.89Å
46	V	98.6	Very high	95.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	161.1	-177.1	-52.8	0	0	0	0	113.8	V50 I115 H127 Y128 T129 Q130 M221	V46-V50 HydrophobicContact CB-CG1 3.81Å; V46-V50 HydrophobicContact CB-CG2 4.02Å; V46-V50 HydrophobicContact CG1-CG1 3.88Å; V46-V50 HydrophobicContact CG2-CG2 4Å; V46-I115 HydrophobicContact CG1-CD1 4.1Å; V46-H127 WeakPolarHBondContact CG2-CE1 3.23Å; V46-Y128 PolarHBondContact N-O 3.17Å; V46-T129 VanDerWaalsContact CG2-OG1 3.27Å; V46-T129 WeakPolarHBondContact CG2-OG1 3.44Å; V46-Q130 PolarHBondContact O-N 3.07Å; V46-Q130 VanDerWaalsContact O-N 3.07Å; V46-Q130 PolarHBondContact O-NE2 3.32Å; V46-Q130 VanDerWaalsContact O-NE2 3.1Å; V46-M221 VanDerWaalsContact CA-O 3.29Å; V46-M221 WeakPolarHBondContact CA-O 3.35Å; V46-M221 HydrophobicContact CG1-CB 4.13Å; V46-M221 HydrophobicContact CG1-CE 3.72Å
47	G	96.8	Very high	95.2	Very high	2 Å²	2	25.1 Å²	25.1	2%	0.021	17%	0.174	C	C	.	.			trans	-137.5	-167.6	166.9	0	0	0	0	0	111	G49 V50 N131 M221 G222	G47-G49 PolarHBondContact O-N 3.13Å; G47-V50 WeakPolarHBondContact O-CG2 3.44Å; G47-V50 PolarHBondContact O-N 2.91Å; G47-V50 VanDerWaalsContact O-N 3.08Å; G47-N131 WeakPolarHBondContact CA-OD1 3.48Å; G47-N131 PolarHBondContact O-ND2 2.61Å; G47-N131 VanDerWaalsContact O-ND2 3.15Å; G47-M221 PolarHBondContact N-O 2.66Å; G47-G222 CarbonylContact C-O 3.53Å; G47-G222 WeakPolarHBondContact CA-O 3.23Å
48	A	94.3	Very high	94.6	Very high	16 Å²	16	24.1 Å²	24.1	13%	0.132	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-61.9	-18.6	-166.1	0	0	0	0	0	114.4	V50 S51 T52 D58 F59 N131 G222	A48-V50 PolarHBondContact O-N 3.01Å; A48-V50 VanDerWaalsContact O-N 3.14Å; A48-S51 PolarHBondContact O-N 2.98Å; A48-T52 PolarHBondContact O-N 3.22Å; A48-D58 HydrophobicContact CB-CB 3.58Å; A48-F59 HydrophobicContact CB-CD2 4.36Å; A48-N131 WeakPolarHBondContact CA-OD1 3.14Å; A48-N131 PolarHBondContact N-OD1 3.11Å; A48-G222 PolarHBondContact N-O 3.22Å
49	G	95.5	Very high	93.7	Very high	16 Å²	16	24.5 Å²	24.5	17%	0.165	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-61.1	-18.6	175.1	0	0	0	0	0	114.5	G47 S51 T52 G222	G47-G49 PolarHBondContact O-N 3.13Å; G49-S51 VanDerWaalsContact C-N 3.35Å; G49-T52 PolarHBondContact O-OG1 2.94Å; G49-G222 VanDerWaalsContact CA-O 3.31Å; G49-G222 WeakPolarHBondContact CA-O 3.46Å; G49-G222 PolarHBondContact N-O 2.72Å
50	V	97.9	Very high	92.6	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-78.7	-19.4	171.8	-55.4	0	0	0	0	113.2	V46 G47 A48 T109 A111 H112 N131 M221 A293	V46-V50 HydrophobicContact CB-CG1 3.81Å; V46-V50 HydrophobicContact CB-CG2 4.02Å; V46-V50 HydrophobicContact CG1-CG1 3.88Å; V46-V50 HydrophobicContact CG2-CG2 4Å; G47-V50 WeakPolarHBondContact O-CG2 3.44Å; G47-V50 PolarHBondContact O-N 2.91Å; G47-V50 VanDerWaalsContact O-N 3.08Å; A48-V50 PolarHBondContact O-N 3.01Å; A48-V50 VanDerWaalsContact O-N 3.14Å; V50-T109 WeakPolarHBondContact O-CB 3.27Å; V50-T109 WeakPolarHBondContact O-CG2 3.25Å; V50-T109 PolarHBondContact O-OG1 3.37Å; V50-A111 HydrophobicContact CB-CB 3.9Å; V50-A111 HydrophobicContact CG1-CB 4.09Å; V50-H112 PolarHBondContact O-CE1 3.41Å; V50-N131 WeakPolarHBondContact CG2-ND2 3.46Å; V50-M221 HydrophobicContact CG1-CB 3.78Å; V50-A293 HydrophobicContact CB-CB 4.35Å; V50-A293 HydrophobicContact CG1-CB 3.84Å
51	S	96.8	Very high	91.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-8.5	-176.4	-54.6	0	0	0	0	113.3	A48 G49 A53 A54 H112 N131 D133	A48-S51 PolarHBondContact O-N 2.98Å; G49-S51 VanDerWaalsContact C-N 3.35Å; S51-A53 VanDerWaalsContact C-N 3.3Å; S51-A53 PolarHBondContact O-N 3.31Å; S51-A54 WeakPolarHBondContact O-CA 3.38Å; S51-A54 VanDerWaalsContact O-CB 3.32Å; S51-A54 WeakPolarHBondContact O-CB 3.27Å; S51-A54 PolarHBondContact O-N 3.4Å; S51-H112 PolarHBondContact OG-CE1 3.24Å; S51-N131 PolarHBondContact OG-ND2 2.79Å; S51-D133 VanDerWaalsContact CB-OD2 3.27Å; S51-D133 WeakPolarHBondContact CB-OD2 3.26Å; S51-D133 PolarHBondContact OG-OD2 3.26Å
52	T	94.4	Very high	90.1	Very high	39 Å²	39	29 Å²	29	24%	0.239	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-61.3	-36.2	-176.7	57.3	0	0	0	0	113.1	A48 G49 A54 G55 I56 D58	A48-T52 PolarHBondContact O-N 3.22Å; G49-T52 PolarHBondContact O-OG1 2.94Å; T52-A54 PolarHBondContact O-N 3.43Å; T52-G55 PolarHBondContact O-N 2.91Å; T52-I56 VanDerWaalsContact CA-O 3.32Å; T52-I56 WeakPolarHBondContact CA-O 3.45Å; T52-D58 HydrophobicContact CG2-CB 4.12Å
53	A	94.9	Very high	88.3	Confident	69 Å²	69	34.1 Å²	34.1	57%	0.57	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-67.2	-14.6	175	0	0	0	0	0	113.7	S51 G55 T109	S51-A53 VanDerWaalsContact C-N 3.3Å; S51-A53 PolarHBondContact O-N 3.31Å; A53-G55 VanDerWaalsContact C-N 3.29Å; A53-T109 HydrophobicContact CB-CG2 3.84Å
54	A	94.6	Very high	86.8	Confident	25 Å²	25	37 Å²	37	21%	0.207	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-87.8	5.4	171.5	0	0	0	0	0	113	S51 T52 I56 A106 K107 T109 L135	S51-A54 WeakPolarHBondContact O-CA 3.38Å; S51-A54 VanDerWaalsContact O-CB 3.32Å; S51-A54 WeakPolarHBondContact O-CB 3.27Å; S51-A54 PolarHBondContact O-N 3.4Å; T52-A54 PolarHBondContact O-N 3.43Å; A54-I56 VanDerWaalsContact C-N 3.28Å; A54-I56 HydrophobicContact CB-CG1 4.41Å; A54-A106 HydrophobicContact CB-CB 4.5Å; A54-K107 VanDerWaalsContact CB-O 3.28Å; A54-K107 WeakPolarHBondContact CB-O 3.41Å; A54-T109 HydrophobicContact CB-CG2 3.75Å; A54-L135 HydrophobicContact CB-CD1 3.73Å
55	G	90.4	Very high	85.3	Confident	51 Å²	51	37 Å²	37	53%	0.526	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	12.2	-175.4	0	0	0	0	0	114	T52 A53	T52-G55 PolarHBondContact O-N 2.91Å; A53-G55 VanDerWaalsContact C-N 3.29Å
56	I	88.6	Confident	84	Confident	25 Å²	25	37.5 Å²	37.5	13%	0.128	24%	0.243	C	C	.	.			trans	-91.4	114.4	174.6	-56.7	-175	0	0	0	107.9	T52 A54 A106 D133 L135	T52-I56 VanDerWaalsContact CA-O 3.32Å; T52-I56 WeakPolarHBondContact CA-O 3.45Å; A54-I56 VanDerWaalsContact C-N 3.28Å; A54-I56 HydrophobicContact CB-CG1 4.41Å; I56-A106 HydrophobicContact CD1-CB 3.96Å; I56-A106 HydrophobicContact CG1-CB 4.2Å; I56-D133 HydrophobicContact CD1-CB 3.6Å; I56-L135 HydrophobicContact CD1-CD1 3.85Å; I56-L135 HydrophobicContact CD1-CD2 4.47Å; I56-L135 HydrophobicContact CD1-CG 4.15Å
57	P	85.1	Confident	82.6	Confident	34 Å²	34	39.2 Å²	39.2	22%	0.221	25%	0.25	C	S	.	.			trans	-65.9	144.4	-178.9	28.7	-34.4	0	0	0	110.2	S64 I66 L101	P57-S64 WeakPolarHBondContact CB-O 3.21Å; P57-I66 HydrophobicContact CB-CG1 4.36Å; P57-I66 HydrophobicContact CG-CG1 3.98Å; P57-L101 HydrophobicContact CG-CD2 3.64Å
58	D	81.1	Confident	81.1	Confident	22 Å²	22	42.9 Å²	42.9	12%	0.118	27%	0.269	C	S	.	.			trans	-75.7	178.8	166	71.2	47.3	0	0	0	110.7	A48 T52 R60 S61 G65 I66	A48-D58 HydrophobicContact CB-CB 3.58Å; T52-D58 HydrophobicContact CG2-CB 4.12Å; D58-R60 PolarHBondContact OD1-N 2.8Å; D58-S61 VanDerWaalsContact CG-OG 3.28Å; D58-S61 VanDerWaalsContact OD1-CB 3.23Å; D58-S61 WeakPolarHBondContact OD1-CB 3.44Å; D58-S61 PolarHBondContact OD1-N 3.47Å; D58-S61 PolarHBondContact OD1-OG 2.97Å; D58-S61 VanDerWaalsContact OD2-CB 3.31Å; D58-S61 WeakPolarHBondContact OD2-CB 3.22Å; D58-S61 PolarHBondContact OD2-OG 2.88Å; D58-G65 CarbonylContact O-C 3.13Å; D58-G65 WeakPolarHBondContact O-CA 3.33Å; D58-I66 WeakPolarHBondContact O-CG1 3.48Å; D58-I66 PolarHBondContact O-N 3.31Å
59	F	75.1	Confident	79.7	Confident	67 Å²	67	46.6 Å²	46.6	29%	0.294	29%	0.287	S	S	.	.	S	Bend	trans	-80.4	-32.9	-178.5	-70.3	-90.1	0	0	0	113.6	A48 I66 Y67 F82	A48-F59 HydrophobicContact CB-CD2 4.36Å; F59-I66 HydrophobicContact CD1-CB 4.38Å; F59-I66 HydrophobicContact CD1-CD1 3.66Å; F59-I66 HydrophobicContact CD2-CD1 4.41Å; F59-I66 HydrophobicContact CE1-CD1 3.62Å; F59-I66 HydrophobicContact CE2-CD1 4.37Å; F59-I66 HydrophobicContact CG-CD1 4.07Å; F59-I66 HydrophobicContact CZ-CD1 3.99Å; F59-Y67 HydrophobicContact CB-CD2 4.34Å; F59-Y67 HydrophobicContact CB-CE2 3.87Å; F59-Y67 WeakPolarHBondContact O-CD2 3.31Å; F59-Y67 PolarHBondContact O-N 3.49Å; F59-F82 HydrophobicContact CD1-CE2 4.22Å; F59-F82 HydrophobicContact CE1-CE1 4.5Å; F59-F82 HydrophobicContact CE1-CE2 4.09Å; F59-F82 HydrophobicContact CE1-CZ 4.05Å
60	R	72	Confident	78.3	Confident	118 Å²	118	46.4 Å²	46.4	45%	0.445	28%	0.282	S	S	.	.	S	Bend	trans	-123	-11.5	-154.8	-64.8	-178	-177.8	80.6	-1.2	114.9	D58 Y67	D58-R60 PolarHBondContact OD1-N 2.8Å; R60-Y67 HydrophobicContact CG-CD2 4.35Å; R60-Y67 HydrophobicContact CG-CE2 4.16Å
61	S	72.1	Confident	76.8	Confident	20 Å²	20	54.3 Å²	54.3	14%	0.14	32%	0.319	C	S	.	.	S	Bend	trans	-62.8	131.8	179.1	-80.4	0	0	0	0	109.3	D58 S64 G65	D58-S61 VanDerWaalsContact CG-OG 3.28Å; D58-S61 VanDerWaalsContact OD1-CB 3.23Å; D58-S61 WeakPolarHBondContact OD1-CB 3.44Å; D58-S61 PolarHBondContact OD1-N 3.47Å; D58-S61 PolarHBondContact OD1-OG 2.97Å; D58-S61 VanDerWaalsContact OD2-CB 3.31Å; D58-S61 WeakPolarHBondContact OD2-CB 3.22Å; D58-S61 PolarHBondContact OD2-OG 2.88Å; S61-S64 WeakPolarHBondContact CB-OG 3.48Å; S61-G65 VanDerWaalsContact O-CA 3.26Å; S61-G65 WeakPolarHBondContact O-CA 3.22Å; S61-G65 PolarHBondContact O-N 3.35Å
62	P	68.4	Low	75.3	Confident	103 Å²	103	60 Å²	60	67%	0.669	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	145.7	173.6	-25	34	0	0	0	111.4	S64 D68	P62-S64 PolarHBondContact O-N 2.8Å; P62-S64 PolarHBondContact O-OG 2.86Å; P62-S64 VanDerWaalsContact O-OG 3.07Å; P62-D68 WeakPolarHBondContact CA-OD2 3.45Å
63	S	61.5	Low	74	Confident	109 Å²	109	60.2 Å²	60.2	76%	0.762	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	-13.9	177.3	69.9	0	0	0	0	117.6	D68	S63-D68 PolarHBondContact N-OD2 2.59Å
64	S	67.7	Low	72.6	Confident	60 Å²	60	64.5 Å²	64.5	42%	0.42	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-16.9	-173.5	53.3	0	0	0	0	113	P57 S61 P62	P57-S64 WeakPolarHBondContact CB-O 3.21Å; S61-S64 WeakPolarHBondContact CB-OG 3.48Å; P62-S64 PolarHBondContact O-N 2.8Å; P62-S64 PolarHBondContact O-OG 2.86Å; P62-S64 VanDerWaalsContact O-OG 3.07Å
65	G	66	Low	71.3	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.36	C	S	.	.	S	Bend	trans	-70.9	156.7	179.7	0	0	0	0	0	112.6	D58 S61 Y67 D68 N69	D58-G65 CarbonylContact O-C 3.13Å; D58-G65 WeakPolarHBondContact O-CA 3.33Å; S61-G65 VanDerWaalsContact O-CA 3.26Å; S61-G65 WeakPolarHBondContact O-CA 3.22Å; S61-G65 PolarHBondContact O-N 3.35Å; G65-Y67 PolarHBondContact O-N 3.45Å; G65-D68 PolarHBondContact O-N 2.88Å; G65-N69 PolarHBondContact O-ND2 3.09Å
66	I	72.9	Confident	70.1	Confident	10 Å²	10	67.8 Å²	67.8	5%	0.051	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-43.3	177.5	-65.3	162.3	0	0	0	110.4	P57 D58 F59 D68 N69 L70 F82 I97 L101	P57-I66 HydrophobicContact CB-CG1 4.36Å; P57-I66 HydrophobicContact CG-CG1 3.98Å; D58-I66 WeakPolarHBondContact O-CG1 3.48Å; D58-I66 PolarHBondContact O-N 3.31Å; F59-I66 HydrophobicContact CD1-CB 4.38Å; F59-I66 HydrophobicContact CD1-CD1 3.66Å; F59-I66 HydrophobicContact CD2-CD1 4.41Å; F59-I66 HydrophobicContact CE1-CD1 3.62Å; F59-I66 HydrophobicContact CE2-CD1 4.37Å; F59-I66 HydrophobicContact CG-CD1 4.07Å; F59-I66 HydrophobicContact CZ-CD1 3.99Å; I66-D68 PolarHBondContact O-N 3.36Å; I66-N69 PolarHBondContact O-N 2.64Å; I66-N69 VanDerWaalsContact O-N 3.11Å; I66-L70 HydrophobicContact CG2-CD1 4.24Å; I66-L70 HydrophobicContact CG2-CG 4.47Å; I66-L70 WeakPolarHBondContact O-CG 3.1Å; I66-F82 HydrophobicContact CG2-CE2 4.36Å; I66-F82 HydrophobicContact CG2-CZ 4.11Å; I66-I97 HydrophobicContact CG2-CG2 4.27Å; I66-L101 HydrophobicContact CD1-CD1 3.5Å; I66-L101 VanDerWaalsContact CD1-CD1 3.5Å; I66-L101 HydrophobicContact CD1-CD2 4.23Å; I66-L101 HydrophobicContact CG1-CD1 3.96Å; I66-L101 HydrophobicContact CG1-CD2 3.92Å; I66-L101 HydrophobicContact CG2-CD1 4.44Å
67	Y	68.4	Low	69.1	Low	37 Å²	37	69.8 Å²	69.8	15%	0.145	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-61.9	-36.6	-174.8	-71.6	-36.7	0	0	0	115	F59 R60 G65 N69 L70 P78 N79 F82	F59-Y67 HydrophobicContact CB-CD2 4.34Å; F59-Y67 HydrophobicContact CB-CE2 3.87Å; F59-Y67 WeakPolarHBondContact O-CD2 3.31Å; F59-Y67 PolarHBondContact O-N 3.49Å; R60-Y67 HydrophobicContact CG-CD2 4.35Å; R60-Y67 HydrophobicContact CG-CE2 4.16Å; G65-Y67 PolarHBondContact O-N 3.45Å; Y67-N69 PolarHBondContact O-N 3.35Å; Y67-L70 HydrophobicContact CD1-CD1 4.17Å; Y67-L70 PolarHBondContact O-N 3.43Å; Y67-P78 VanDerWaalsContact CD1-C 3.4Å; Y67-P78 HydrophobicContact CD1-CB 3.44Å; Y67-P78 VanDerWaalsContact CD1-CB 3.44Å; Y67-P78 WeakPolarHBondContact CD1-O 3.43Å; Y67-P78 HydrophobicContact CD2-CB 4.12Å; Y67-P78 HydrophobicContact CE1-CB 4.11Å; Y67-P78 WeakPolarHBondContact CE1-O 3.19Å; Y67-P78 HydrophobicContact CG-CB 3.47Å; Y67-P78 VanDerWaalsContact CG-CB 3.47Å; Y67-N79 HydrophobicContact CE1-CB 4.23Å; Y67-F82 HydrophobicContact CD1-CE2 4.32Å; Y67-F82 AromaticContact CE1-CD2 3.7Å; Y67-F82 HydrophobicContact CE1-CD2 3.7Å; Y67-F82 AromaticContact CE1-CE2 3.56Å; Y67-F82 HydrophobicContact CE1-CE2 3.56Å
68	D	65.3	Low	68.1	Low	78 Å²	78	71.6 Å²	71.6	42%	0.417	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-73.5	-14.9	179.6	-69.2	-3	0	0	0	112	P62 S63 G65 I66	P62-D68 WeakPolarHBondContact CA-OD2 3.45Å; S63-D68 PolarHBondContact N-OD2 2.59Å; G65-D68 PolarHBondContact O-N 2.88Å; I66-D68 PolarHBondContact O-N 3.36Å
69	N	64.4	Low	67.8	Low	95 Å²	95	73.4 Å²	73.4	51%	0.508	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-100.7	13.3	-179.7	-66.7	-68.9	0	0	0	113.5	G65 I66 Y67	G65-N69 PolarHBondContact O-ND2 3.09Å; I66-N69 PolarHBondContact O-N 2.64Å; I66-N69 VanDerWaalsContact O-N 3.11Å; Y67-N69 PolarHBondContact O-N 3.35Å
70	L	67.3	Low	68	Low	11 Å²	11	70.5 Å²	70.5	6%	0.058	39%	0.392	C	S	.	.			trans	-106	12	-177.8	-62.1	178.3	0	0	0	114.5	I66 Y67 D72 F73 L75 I81 I97	I66-L70 HydrophobicContact CG2-CD1 4.24Å; I66-L70 HydrophobicContact CG2-CG 4.47Å; I66-L70 WeakPolarHBondContact O-CG 3.1Å; Y67-L70 HydrophobicContact CD1-CD1 4.17Å; Y67-L70 PolarHBondContact O-N 3.43Å; L70-D72 PolarHBondContact O-N 2.94Å; L70-F73 HydrophobicContact CB-CD2 4.23Å; L70-F73 HydrophobicContact CD2-CD2 3.85Å; L70-F73 HydrophobicContact CD2-CE2 3.89Å; L70-F73 PolarHBondContact O-N 2.8Å; L70-L75 HydrophobicContact CB-CD1 3.99Å; L70-L75 HydrophobicContact CD1-CD1 4Å; L70-I81 HydrophobicContact CD1-CD1 4.32Å; L70-I97 HydrophobicContact CD1-CD1 3.78Å; L70-I97 HydrophobicContact CD2-CD1 3.33Å; L70-I97 HydrophobicContact CD2-CG1 3.56Å; L70-I97 HydrophobicContact CG-CD1 4.2Å
71	E	64.9	Low	68.5	Low	168 Å²	168	64.9 Å²	64.9	79%	0.785	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-53.1	-31.6	-179.8	-63	-172.9	167.3	0	0	112.6	F73	E71-F73 PolarHBondContact O-N 3.29Å
72	D	66.9	Low	69.2	Low	118 Å²	118	65 Å²	65	63%	0.631	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-54	-24.4	174.3	-64.5	-20.9	0	0	0	114.6	L70 R100	L70-D72 PolarHBondContact O-N 2.94Å; D72-R100 IonicContact OD2-CZ 2.8Å; D72-R100 IonicContact OD2-NH1 3.33Å; D72-R100 PolarHBondContact OD2-NH1 3.28Å; D72-R100 IonicContact OD2-NH2 3.72Å; D72-R100 PolarHBondContact OD2-NH2 3.34Å; D72-R100 VanDerWaalsContact OD2-NH2 3.17Å
73	F	65.9	Low	70.3	Confident	45 Å²	45	61.8 Å²	61.8	20%	0.197	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-99.5	3	-167.9	-67.6	-77.1	0	0	0	115.4	L70 E71 L75 I81 P93 E96 I97	L70-F73 HydrophobicContact CB-CD2 4.23Å; L70-F73 HydrophobicContact CD2-CD2 3.85Å; L70-F73 HydrophobicContact CD2-CE2 3.89Å; L70-F73 PolarHBondContact O-N 2.8Å; E71-F73 PolarHBondContact O-N 3.29Å; F73-L75 VanDerWaalsContact C-N 3.3Å; F73-L75 HydrophobicContact CB-CD1 4.16Å; F73-L75 HydrophobicContact CB-CD2 3.8Å; F73-L75 HydrophobicContact CB-CG 3.71Å; F73-L75 PolarHBondContact O-N 2.59Å; F73-I81 HydrophobicContact CB-CD1 4.08Å; F73-I81 HydrophobicContact CD1-CD1 4.46Å; F73-I81 HydrophobicContact CD2-CD1 4.15Å; F73-I81 HydrophobicContact CG-CD1 3.99Å; F73-P93 HydrophobicContact CD1-CB 3.75Å; F73-P93 HydrophobicContact CD1-CG 4.1Å; F73-P93 HydrophobicContact CE1-CB 3.8Å; F73-P93 HydrophobicContact CE1-CG 4.29Å; F73-E96 HydrophobicContact CE1-CB 4.49Å; F73-E96 HydrophobicContact CE1-CG 4.36Å; F73-E96 HydrophobicContact CZ-CB 4.08Å; F73-E96 HydrophobicContact CZ-CG 3.67Å; F73-I97 HydrophobicContact CE2-CG1 4.32Å
74	N	66.8	Low	71.8	Confident	158 Å²	158	57.2 Å²	57.2	85%	0.845	31%	0.314	S	S	*	.			trans	43.7	52.9	180	-84.1	-17.8	0	0	0	113
75	L	66.3	Low	73	Confident	37 Å²	37	59.6 Å²	59.6	19%	0.194	32%	0.322	C	S	.	.			trans	-81.8	142.6	-171.3	-60.6	173.7	0	0	0	112.5	L70 F73 T77 I81 Y86	L70-L75 HydrophobicContact CB-CD1 3.99Å; L70-L75 HydrophobicContact CD1-CD1 4Å; F73-L75 VanDerWaalsContact C-N 3.3Å; F73-L75 HydrophobicContact CB-CD1 4.16Å; F73-L75 HydrophobicContact CB-CD2 3.8Å; F73-L75 HydrophobicContact CB-CG 3.71Å; F73-L75 PolarHBondContact O-N 2.59Å; L75-T77 VanDerWaalsContact C-N 3.27Å; L75-T77 WeakPolarHBondContact CB-O 3.46Å; L75-T77 PolarHBondContact O-N 3.26Å; L75-I81 HydrophobicContact CD1-CD1 3.4Å; L75-I81 VanDerWaalsContact CD1-CD1 3.4Å; L75-I81 HydrophobicContact CD1-CG1 3.67Å; L75-I81 HydrophobicContact CD2-CD1 3.65Å; L75-I81 HydrophobicContact CD2-CG1 3.41Å; L75-I81 VanDerWaalsContact CD2-CG1 3.41Å; L75-I81 HydrophobicContact CG-CD1 4.03Å; L75-I81 HydrophobicContact CG-CG1 4.15Å; L75-Y86 HydrophobicContact CD2-CE2 4.09Å
76	P	64.8	Low	74.2	Confident	108 Å²	108	60.9 Å²	60.9	70%	0.701	33%	0.327	S	S	*	.	S	Bend	trans	-66.7	-31.2	174.8	25.3	-31.6	0	0	0	112.1	A80	P76-A80 HydrophobicContact CG-CB 3.85Å
77	T	67.7	Low	75.2	Confident	67 Å²	67	60.5 Å²	60.5	41%	0.411	33%	0.325	S	S	.	.	S	Bend	trans	-147.4	154.9	171.1	61.2	0	0	0	0	109.4	L75 N79 A80	L75-T77 VanDerWaalsContact C-N 3.27Å; L75-T77 WeakPolarHBondContact CB-O 3.46Å; L75-T77 PolarHBondContact O-N 3.26Å; T77-N79 WeakPolarHBondContact CB-OD1 3.11Å; T77-N79 PolarHBondContact O-N 2.83Å; T77-N79 PolarHBondContact OG1-OD1 2.92Å; T77-A80 VanDerWaalsContact O-CB 3.27Å; T77-A80 WeakPolarHBondContact O-CB 3.31Å; T77-A80 PolarHBondContact O-N 3.33Å; T77-A80 PolarHBondContact OG1-N 3.48Å
78	P	64.6	Low	76.4	Confident	73 Å²	73	66.8 Å²	66.8	47%	0.474	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.7	-178.4	-24.6	32.8	0	0	0	113.9	Y67	Y67-P78 VanDerWaalsContact CD1-C 3.4Å; Y67-P78 HydrophobicContact CD1-CB 3.44Å; Y67-P78 VanDerWaalsContact CD1-CB 3.44Å; Y67-P78 WeakPolarHBondContact CD1-O 3.43Å; Y67-P78 HydrophobicContact CD2-CB 4.12Å; Y67-P78 HydrophobicContact CE1-CB 4.11Å; Y67-P78 WeakPolarHBondContact CE1-O 3.19Å; Y67-P78 HydrophobicContact CG-CB 3.47Å; Y67-P78 VanDerWaalsContact CG-CB 3.47Å
79	N	73.9	Confident	77.8	Confident	59 Å²	59	71 Å²	71	32%	0.316	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.1	180	65.9	-20.2	0	0	0	114.9	Y67 T77 I81 F82 F196	Y67-N79 HydrophobicContact CE1-CB 4.23Å; T77-N79 WeakPolarHBondContact CB-OD1 3.11Å; T77-N79 PolarHBondContact O-N 2.83Å; T77-N79 PolarHBondContact OG1-OD1 2.92Å; N79-I81 VanDerWaalsContact C-N 3.31Å; N79-I81 PolarHBondContact O-N 3.44Å; N79-F82 PolarHBondContact O-N 3.16Å; N79-F196 HydrophobicContact CB-CD2 4.43Å; N79-F196 HydrophobicContact CB-CE2 4.07Å
80	A	79.1	Confident	79.1	Confident	7 Å²	7	67.9 Å²	67.9	6%	0.058	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-58.1	-40.3	-172.2	0	0	0	0	0	113	P76 T77 F82 T83 Y86	P76-A80 HydrophobicContact CG-CB 3.85Å; T77-A80 VanDerWaalsContact O-CB 3.27Å; T77-A80 WeakPolarHBondContact O-CB 3.31Å; T77-A80 PolarHBondContact O-N 3.33Å; T77-A80 PolarHBondContact OG1-N 3.48Å; A80-F82 PolarHBondContact O-N 2.82Å; A80-T83 PolarHBondContact O-N 3.45Å; A80-T83 PolarHBondContact O-OG1 3.29Å; A80-Y86 HydrophobicContact CB-CD2 4.07Å; A80-Y86 HydrophobicContact CB-CE2 4.49Å; A80-Y86 WeakPolarHBondContact O-CB 3.45Å
81	I	83.1	Confident	80.4	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-60.8	-28.4	178.3	-65.8	175.6	0	0	0	111.9	L70 F73 L75 N79 T83 Y86 P93 F94 I97	L70-I81 HydrophobicContact CD1-CD1 4.32Å; F73-I81 HydrophobicContact CB-CD1 4.08Å; F73-I81 HydrophobicContact CD1-CD1 4.46Å; F73-I81 HydrophobicContact CD2-CD1 4.15Å; F73-I81 HydrophobicContact CG-CD1 3.99Å; L75-I81 HydrophobicContact CD1-CD1 3.4Å; L75-I81 VanDerWaalsContact CD1-CD1 3.4Å; L75-I81 HydrophobicContact CD1-CG1 3.67Å; L75-I81 HydrophobicContact CD2-CD1 3.65Å; L75-I81 HydrophobicContact CD2-CG1 3.41Å; L75-I81 VanDerWaalsContact CD2-CG1 3.41Å; L75-I81 HydrophobicContact CG-CD1 4.03Å; L75-I81 HydrophobicContact CG-CG1 4.15Å; N79-I81 VanDerWaalsContact C-N 3.31Å; N79-I81 PolarHBondContact O-N 3.44Å; I81-T83 VanDerWaalsContact C-N 3.3Å; I81-T83 PolarHBondContact O-N 2.81Å; I81-Y86 HydrophobicContact CG1-CE1 4.32Å; I81-P93 HydrophobicContact CD1-CB 3.68Å; I81-P93 HydrophobicContact CG1-CB 3.96Å; I81-P93 HydrophobicContact CG2-CB 4.13Å; I81-F94 HydrophobicContact CG2-CB 3.93Å; I81-I97 HydrophobicContact CB-CD1 4.24Å; I81-I97 HydrophobicContact CD1-CD1 3.57Å; I81-I97 HydrophobicContact CG2-CD1 3.79Å
82	F	86.9	Confident	81.7	Confident	22 Å²	22	67.9 Å²	67.9	10%	0.096	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-93	20.3	-177.8	-55.2	-63.7	0	0	0	113.1	F59 I66 Y67 N79 A80 F94 I97 L195 F196	F59-F82 HydrophobicContact CD1-CE2 4.22Å; F59-F82 HydrophobicContact CE1-CE1 4.5Å; F59-F82 HydrophobicContact CE1-CE2 4.09Å; F59-F82 HydrophobicContact CE1-CZ 4.05Å; I66-F82 HydrophobicContact CG2-CE2 4.36Å; I66-F82 HydrophobicContact CG2-CZ 4.11Å; Y67-F82 HydrophobicContact CD1-CE2 4.32Å; Y67-F82 AromaticContact CE1-CD2 3.7Å; Y67-F82 HydrophobicContact CE1-CD2 3.7Å; Y67-F82 AromaticContact CE1-CE2 3.56Å; Y67-F82 HydrophobicContact CE1-CE2 3.56Å; N79-F82 PolarHBondContact O-N 3.16Å; A80-F82 PolarHBondContact O-N 2.82Å; F82-F94 HydrophobicContact CD1-CD2 4.25Å; F82-F94 HydrophobicContact CE1-CD2 4.49Å; F82-I97 HydrophobicContact CE1-CD1 4.33Å; F82-I97 HydrophobicContact CE1-CG2 4.27Å; F82-I97 HydrophobicContact CZ-CD1 3.88Å; F82-I97 HydrophobicContact CZ-CG2 4.03Å; F82-L195 HydrophobicContact CB-CD2 4.48Å; F82-L195 CarbonylContact O-C 3.5Å; F82-L195 WeakPolarHBondContact O-CA 3.34Å; F82-L195 WeakPolarHBondContact O-CB 3.44Å; F82-F196 HydrophobicContact CB-CD2 4.13Å; F82-F196 HydrophobicContact CB-CE2 4.39Å; F82-F196 WeakPolarHBondContact O-CD2 3.15Å; F82-F196 PolarHBondContact O-N 3.15Å
83	T	91.8	Very high	82.7	Confident	36 Å²	36	62.7 Å²	62.7	22%	0.221	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-101.2	144.6	172.7	67.1	0	0	0	0	110.7	A80 I81 D85 Y86 F87 F196	A80-T83 PolarHBondContact O-N 3.45Å; A80-T83 PolarHBondContact O-OG1 3.29Å; I81-T83 VanDerWaalsContact C-N 3.3Å; I81-T83 PolarHBondContact O-N 2.81Å; T83-D85 PolarHBondContact O-N 3.08Å; T83-Y86 PolarHBondContact O-N 3.11Å; T83-Y86 WeakPolarHBondContact OG1-CB 3.27Å; T83-Y86 PolarHBondContact OG1-N 3.44Å; T83-F87 WeakPolarHBondContact O-CB 3.43Å; T83-F87 PolarHBondContact O-N 3.1Å; T83-F196 WeakPolarHBondContact CA-O 3.37Å; T83-F196 HydrophobicContact CG2-CB 4.01Å
84	I	94	Very high	83.9	Confident	12 Å²	12	60.9 Å²	60.9	6%	0.062	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-33.3	178	-172.6	55.1	0	0	0	112.5	F87 R88 K190 L195 F196 E198	I84-F87 HydrophobicContact CD1-CD1 4.47Å; I84-F87 PolarHBondContact O-N 2.94Å; I84-R88 HydrophobicContact CD1-CG 4.38Å; I84-R88 WeakPolarHBondContact O-CB 3.49Å; I84-R88 VanDerWaalsContact O-CG 3.31Å; I84-R88 WeakPolarHBondContact O-CG 3.4Å; I84-R88 PolarHBondContact O-N 3.08Å; I84-K190 HydrophobicContact CD1-CD 4.08Å; I84-L195 HydrophobicContact CB-CB 4.42Å; I84-L195 HydrophobicContact CD1-CD1 4.46Å; I84-F196 PolarHBondContact N-O 3.34Å; I84-E198 HydrophobicContact CB-CG 3.89Å; I84-E198 HydrophobicContact CD1-CG 4.29Å; I84-E198 HydrophobicContact CG1-CG 3.98Å; I84-E198 HydrophobicContact CG2-CG 4.34Å
85	D	92.7	Very high	85.2	Confident	110 Å²	110	53.8 Å²	53.8	59%	0.588	26%	0.262	S	S	*	.	H	α-helix	trans	-69.6	-40.1	179	-67.3	-26.3	0	0	0	111.8	T83 R89	T83-D85 PolarHBondContact O-N 3.08Å; D85-R89 PolarHBondContact O-N 3.29Å
86	Y	90.8	Very high	86.3	Confident	28 Å²	28	53.9 Å²	53.9	11%	0.11	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-48.8	171.1	-169.5	-67.7	0	0	0	110.5	L75 A80 I81 T83 R88 R89 D90 P93	L75-Y86 HydrophobicContact CD2-CE2 4.09Å; A80-Y86 HydrophobicContact CB-CD2 4.07Å; A80-Y86 HydrophobicContact CB-CE2 4.49Å; A80-Y86 WeakPolarHBondContact O-CB 3.45Å; I81-Y86 HydrophobicContact CG1-CE1 4.32Å; T83-Y86 PolarHBondContact O-N 3.11Å; T83-Y86 WeakPolarHBondContact OG1-CB 3.27Å; T83-Y86 PolarHBondContact OG1-N 3.44Å; Y86-R88 VanDerWaalsContact C-N 3.27Å; Y86-R88 PolarHBondContact O-N 3.25Å; Y86-R89 WeakPolarHBondContact O-CA 3.38Å; Y86-R89 WeakPolarHBondContact O-CB 3.34Å; Y86-R89 PolarHBondContact O-N 2.74Å; Y86-D90 WeakPolarHBondContact CD1-O 3.47Å; Y86-D90 HydrophobicContact CE1-CB 4.36Å; Y86-D90 WeakPolarHBondContact CE1-O 3.45Å; Y86-D90 PolarHBondContact O-N 2.92Å; Y86-P93 HydrophobicContact CE1-CB 4.26Å; Y86-P93 HydrophobicContact CE1-CG 3.91Å
87	F	93.9	Very high	87.3	Confident	2 Å²	2	49 Å²	49	1%	0.009	23%	0.23	C	C	.	.	H	α-helix	trans	-56.8	-40.7	-178.5	-177.6	-85.1	0	0	0	112.5	T83 I84 R89 D90 P91 F94 F95 I159 V188 K190 L195	T83-F87 WeakPolarHBondContact O-CB 3.43Å; T83-F87 PolarHBondContact O-N 3.1Å; I84-F87 HydrophobicContact CD1-CD1 4.47Å; I84-F87 PolarHBondContact O-N 2.94Å; F87-R89 VanDerWaalsContact C-N 3.3Å; F87-R89 PolarHBondContact O-N 3Å; F87-D90 CarbonylContact O-C 3.6Å; F87-P91 HydrophobicContact CD1-CB 4.37Å; F87-P91 HydrophobicContact CD2-CB 3.95Å; F87-P91 HydrophobicContact CE1-CB 4.11Å; F87-P91 HydrophobicContact CE2-CB 3.67Å; F87-P91 HydrophobicContact CG-CB 4.29Å; F87-P91 HydrophobicContact CZ-CB 3.75Å; F87-P91 WeakPolarHBondContact O-CB 3.25Å; F87-P91 WeakPolarHBondContact O-CD 3.21Å; F87-F94 HydrophobicContact CD2-CB 3.92Å; F87-F94 AromaticContact CD2-CD1 3.99Å; F87-F94 HydrophobicContact CD2-CD1 3.99Å; F87-F94 AromaticContact CD2-CG 3.87Å; F87-F94 HydrophobicContact CD2-CG 3.87Å; F87-F94 HydrophobicContact CE2-CB 4.24Å; F87-F94 AromaticContact CE2-CD1 3.58Å; F87-F94 HydrophobicContact CE2-CD1 3.58Å; F87-F94 HydrophobicContact CE2-CE1 4.16Å; F87-F94 AromaticContact CE2-CG 3.96Å; F87-F94 HydrophobicContact CE2-CG 3.96Å; F87-F95 AromaticContact CE2-CE2 3.83Å; F87-F95 HydrophobicContact CE2-CE2 3.83Å; F87-F95 AromaticContact CE2-CZ 3.9Å; F87-F95 HydrophobicContact CE2-CZ 3.9Å; F87-F95 AromaticContact CZ-CE2 3.86Å; F87-F95 HydrophobicContact CZ-CE2 3.86Å; F87-F95 AromaticContact CZ-CZ 3.85Å; F87-F95 HydrophobicContact CZ-CZ 3.85Å; F87-I159 HydrophobicContact CE1-CG2 4.22Å; F87-V188 HydrophobicContact CE1-CG1 3.94Å; F87-V188 HydrophobicContact CZ-CG1 3.79Å; F87-K190 HydrophobicContact CD1-CD 3.99Å; F87-K190 HydrophobicContact CD1-CG 4.36Å; F87-K190 HydrophobicContact CE1-CB 3.71Å; F87-K190 HydrophobicContact CE1-CD 3.82Å; F87-K190 HydrophobicContact CE1-CG 3.74Å; F87-K190 HydrophobicContact CE2-CG 4.09Å; F87-K190 HydrophobicContact CG-CD 4.46Å; F87-K190 HydrophobicContact CZ-CB 3.66Å; F87-K190 HydrophobicContact CZ-CD 4.14Å; F87-K190 HydrophobicContact CZ-CG 3.59Å; F87-L195 HydrophobicContact CB-CD1 3.6Å; F87-L195 HydrophobicContact CD2-CD1 3.96Å; F87-L195 HydrophobicContact CG-CD1 3.83Å
88	R	94.3	Very high	88.4	Confident	169 Å²	169	46.6 Å²	46.6	64%	0.638	22%	0.217	S	C	*	.	H	α-helix	trans	-65.6	-32.4	176.3	-76.3	173.1	175.3	166.2	-0.9	113.1	I84 Y86	I84-R88 HydrophobicContact CD1-CG 4.38Å; I84-R88 WeakPolarHBondContact O-CB 3.49Å; I84-R88 VanDerWaalsContact O-CG 3.31Å; I84-R88 WeakPolarHBondContact O-CG 3.4Å; I84-R88 PolarHBondContact O-N 3.08Å; Y86-R88 VanDerWaalsContact C-N 3.27Å; Y86-R88 PolarHBondContact O-N 3.25Å
89	R	92.9	Very high	89.6	Confident	166 Å²	166	46.3 Å²	46.3	63%	0.626	21%	0.206	S	C	*	.	H	α-helix	trans	-77.5	-49.6	177.3	-176.9	-179.8	65.3	-108.7	1.2	111.7	D85 Y86 F87	D85-R89 PolarHBondContact O-N 3.29Å; Y86-R89 WeakPolarHBondContact O-CA 3.38Å; Y86-R89 WeakPolarHBondContact O-CB 3.34Å; Y86-R89 PolarHBondContact O-N 2.74Å; F87-R89 VanDerWaalsContact C-N 3.3Å; F87-R89 PolarHBondContact O-N 3Å
90	D	92.2	Very high	90.1	Very high	30 Å²	30	48 Å²	48	16%	0.16	21%	0.208	C	C	.	.			trans	-148.2	104.7	177.1	-172.7	1.2	0	0	0	111	Y86 F87 R92	Y86-D90 WeakPolarHBondContact CD1-O 3.47Å; Y86-D90 HydrophobicContact CE1-CB 4.36Å; Y86-D90 WeakPolarHBondContact CE1-O 3.45Å; Y86-D90 PolarHBondContact O-N 2.92Å; F87-D90 CarbonylContact O-C 3.6Å; D90-R92 VanDerWaalsContact C-N 3.34Å; D90-R92 VanDerWaalsContact CG-NH2 3.34Å; D90-R92 WeakPolarHBondContact OD1-CB 3.37Å; D90-R92 WeakPolarHBondContact OD1-CG 3.37Å; D90-R92 IonicContact OD1-CZ 2.82Å; D90-R92 PolarHBondContact OD1-N 3.46Å; D90-R92 IonicContact OD1-NE 3.66Å; D90-R92 PolarHBondContact OD1-NE 2.87Å; D90-R92 IonicContact OD1-NH2 3.84Å; D90-R92 IonicContact OD2-CZ 3.17Å; D90-R92 IonicContact OD2-NE 2.71Å; D90-R92 PolarHBondContact OD2-NE 3.24Å; D90-R92 IonicContact OD2-NH2 3.23Å; D90-R92 PolarHBondContact OD2-NH2 3.36Å
91	P	94.6	Very high	90.4	Very high	18 Å²	18	50 Å²	50	12%	0.117	22%	0.218	C	C	.	.			trans	-82.4	-10.2	179.9	34.3	-37.5	0	0	0	113.3	F87 F94 F95 V179 V188	F87-P91 HydrophobicContact CD1-CB 4.37Å; F87-P91 HydrophobicContact CD2-CB 3.95Å; F87-P91 HydrophobicContact CE1-CB 4.11Å; F87-P91 HydrophobicContact CE2-CB 3.67Å; F87-P91 HydrophobicContact CG-CB 4.29Å; F87-P91 HydrophobicContact CZ-CB 3.75Å; F87-P91 WeakPolarHBondContact O-CB 3.25Å; F87-P91 WeakPolarHBondContact O-CD 3.21Å; P91-F94 PolarHBondContact O-N 3.42Å; P91-F95 HydrophobicContact CB-CD2 4.08Å; P91-F95 HydrophobicContact CB-CE2 3.81Å; P91-F95 WeakPolarHBondContact O-CD2 3.34Å; P91-F95 PolarHBondContact O-N 2.83Å; P91-V179 HydrophobicContact CG-CG1 4.07Å; P91-V179 HydrophobicContact CG-CG2 4.38Å; P91-V188 HydrophobicContact CB-CG1 4.29Å; P91-V188 HydrophobicContact CG-CG1 4.3Å; P91-V188 HydrophobicContact CG-CG2 4.13Å
92	R	92.2	Very high	90.6	Very high	161 Å²	161	53.2 Å²	53.2	61%	0.608	23%	0.23	S	C	*	.	H	α-helix	trans	-60.7	-44.2	-172.9	-62	168	-67.8	-178.7	2.7	112.7	D90 F94 F95 E96 V179	D90-R92 VanDerWaalsContact C-N 3.34Å; D90-R92 VanDerWaalsContact CG-NH2 3.34Å; D90-R92 WeakPolarHBondContact OD1-CB 3.37Å; D90-R92 WeakPolarHBondContact OD1-CG 3.37Å; D90-R92 IonicContact OD1-CZ 2.82Å; D90-R92 PolarHBondContact OD1-N 3.46Å; D90-R92 IonicContact OD1-NE 3.66Å; D90-R92 PolarHBondContact OD1-NE 2.87Å; D90-R92 IonicContact OD1-NH2 3.84Å; D90-R92 IonicContact OD2-CZ 3.17Å; D90-R92 IonicContact OD2-NE 2.71Å; D90-R92 PolarHBondContact OD2-NE 3.24Å; D90-R92 IonicContact OD2-NH2 3.23Å; D90-R92 PolarHBondContact OD2-NH2 3.36Å; R92-F94 VanDerWaalsContact C-N 3.34Å; R92-F94 PolarHBondContact O-N 3.21Å; R92-F95 PolarHBondContact O-N 3.28Å; R92-E96 PolarHBondContact O-N 3.2Å; R92-V179 HydrophobicContact CG-CG2 3.72Å
93	P	88.4	Confident	90.7	Very high	8 Å²	8	56.6 Å²	56.6	5%	0.052	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-39.7	178	-27.5	39.5	0	0	0	113.1	F73 I81 Y86 F95 E96 I97	F73-P93 HydrophobicContact CD1-CB 3.75Å; F73-P93 HydrophobicContact CD1-CG 4.1Å; F73-P93 HydrophobicContact CE1-CB 3.8Å; F73-P93 HydrophobicContact CE1-CG 4.29Å; I81-P93 HydrophobicContact CD1-CB 3.68Å; I81-P93 HydrophobicContact CG1-CB 3.96Å; I81-P93 HydrophobicContact CG2-CB 4.13Å; Y86-P93 HydrophobicContact CE1-CB 4.26Å; Y86-P93 HydrophobicContact CE1-CG 3.91Å; P93-F95 PolarHBondContact O-N 3.02Å; P93-E96 PolarHBondContact O-N 3.38Å; P93-I97 WeakPolarHBondContact O-CG1 3.37Å; P93-I97 PolarHBondContact O-N 3.07Å
94	F	91.6	Very high	90.5	Very high	8 Å²	8	57.9 Å²	57.9	4%	0.035	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-47	175.5	169.7	-88.3	0	0	0	111.3	I81 F82 F87 P91 R92 I97 A98 F153 P191 V193 L195	I81-F94 HydrophobicContact CG2-CB 3.93Å; F82-F94 HydrophobicContact CD1-CD2 4.25Å; F82-F94 HydrophobicContact CE1-CD2 4.49Å; F87-F94 HydrophobicContact CD2-CB 3.92Å; F87-F94 AromaticContact CD2-CD1 3.99Å; F87-F94 HydrophobicContact CD2-CD1 3.99Å; F87-F94 AromaticContact CD2-CG 3.87Å; F87-F94 HydrophobicContact CD2-CG 3.87Å; F87-F94 HydrophobicContact CE2-CB 4.24Å; F87-F94 AromaticContact CE2-CD1 3.58Å; F87-F94 HydrophobicContact CE2-CD1 3.58Å; F87-F94 HydrophobicContact CE2-CE1 4.16Å; F87-F94 AromaticContact CE2-CG 3.96Å; F87-F94 HydrophobicContact CE2-CG 3.96Å; P91-F94 PolarHBondContact O-N 3.42Å; R92-F94 VanDerWaalsContact C-N 3.34Å; R92-F94 PolarHBondContact O-N 3.21Å; F94-I97 PolarHBondContact O-N 3.06Å; F94-A98 WeakPolarHBondContact O-CB 3.5Å; F94-A98 PolarHBondContact O-N 2.94Å; F94-F153 HydrophobicContact CZ-CE1 4.21Å; F94-F153 HydrophobicContact CZ-CZ 4.08Å; F94-P191 HydrophobicContact CE1-CG 4.08Å; F94-P191 HydrophobicContact CZ-CG 4.44Å; F94-V193 HydrophobicContact CE2-CG2 3.96Å; F94-V193 HydrophobicContact CZ-CG2 3.65Å; F94-L195 HydrophobicContact CD2-CD2 4.07Å; F94-L195 HydrophobicContact CE2-CD2 3.77Å
95	F	93.1	Very high	90.3	Very high	8 Å²	8	62.5 Å²	62.5	4%	0.035	27%	0.272	C	S	.	.	H	α-helix	trans	-70	-34.4	-179.6	-71.3	-59.8	0	0	0	113.2	F87 P91 R92 P93 A98 R99 I174 V179 P180 V188 V189 P191	F87-F95 AromaticContact CE2-CE2 3.83Å; F87-F95 HydrophobicContact CE2-CE2 3.83Å; F87-F95 AromaticContact CE2-CZ 3.9Å; F87-F95 HydrophobicContact CE2-CZ 3.9Å; F87-F95 AromaticContact CZ-CE2 3.86Å; F87-F95 HydrophobicContact CZ-CE2 3.86Å; F87-F95 AromaticContact CZ-CZ 3.85Å; F87-F95 HydrophobicContact CZ-CZ 3.85Å; P91-F95 HydrophobicContact CB-CD2 4.08Å; P91-F95 HydrophobicContact CB-CE2 3.81Å; P91-F95 WeakPolarHBondContact O-CD2 3.34Å; P91-F95 PolarHBondContact O-N 2.83Å; R92-F95 PolarHBondContact O-N 3.28Å; P93-F95 PolarHBondContact O-N 3.02Å; F95-A98 PolarHBondContact O-N 2.97Å; F95-R99 WeakPolarHBondContact O-CB 3.36Å; F95-R99 PolarHBondContact O-N 3.22Å; F95-I174 HydrophobicContact CD1-CD1 3.69Å; F95-I174 HydrophobicContact CD1-CG1 3.63Å; F95-I174 HydrophobicContact CE1-CD1 4.01Å; F95-I174 HydrophobicContact CE1-CG1 4.23Å; F95-I174 HydrophobicContact CG-CG1 4.42Å; F95-V179 HydrophobicContact CD2-CB 4.37Å; F95-V179 HydrophobicContact CD2-CG1 4.07Å; F95-V179 HydrophobicContact CD2-CG2 4.08Å; F95-V179 HydrophobicContact CE2-CG1 3.77Å; F95-P180 HydrophobicContact CD1-CG 4.37Å; F95-P180 HydrophobicContact CE1-CG 3.9Å; F95-P180 HydrophobicContact CZ-CG 4.11Å; F95-V188 HydrophobicContact CE2-CG1 4.1Å; F95-V188 HydrophobicContact CZ-CG1 4.43Å; F95-V189 WeakPolarHBondContact CZ-O 3.47Å; F95-P191 HydrophobicContact CE1-CG 4.04Å
96	E	89	Confident	90.4	Very high	40 Å²	40	57.8 Å²	57.8	19%	0.187	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-40.5	173.3	175.6	57.3	-166.4	0	0	111.4	F73 R92 P93 R99 R100	F73-E96 HydrophobicContact CE1-CB 4.49Å; F73-E96 HydrophobicContact CE1-CG 4.36Å; F73-E96 HydrophobicContact CZ-CB 4.08Å; F73-E96 HydrophobicContact CZ-CG 3.67Å; R92-E96 PolarHBondContact O-N 3.2Å; P93-E96 PolarHBondContact O-N 3.38Å; E96-R99 VanDerWaalsContact CD-NH2 3.32Å; E96-R99 WeakPolarHBondContact O-CB 3.48Å; E96-R99 PolarHBondContact O-N 3.32Å; E96-R99 IonicContact OE1-CZ 3.75Å; E96-R99 IonicContact OE1-NE 2.99Å; E96-R99 IonicContact OE1-NH2 2.78Å; E96-R99 PolarHBondContact OE1-NH2 2.85Å; E96-R99 IonicContact OE2-CZ 3.06Å; E96-R99 IonicContact OE2-NE 3.93Å; E96-R99 PolarHBondContact OE2-NE 3.15Å; E96-R99 IonicContact OE2-NH2 2.7Å; E96-R99 PolarHBondContact OE2-NH2 3.27Å; E96-R99 VanDerWaalsContact OE2-NH2 3.17Å; E96-R100 WeakPolarHBondContact O-CG 3.44Å; E96-R100 PolarHBondContact O-N 3.23Å; E96-R100 IonicContact OE1-CZ 2.79Å; E96-R100 IonicContact OE1-NE 3.34Å; E96-R100 PolarHBondContact OE1-NE 3.49Å; E96-R100 IonicContact OE1-NH2 3.9Å
97	I	86.4	Confident	90.7	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-63.2	-50.1	172.6	-67.5	175.9	0	0	0	110.8	I66 L70 F73 I81 F82 P93 F94 R99 R100 L101	I66-I97 HydrophobicContact CG2-CG2 4.27Å; L70-I97 HydrophobicContact CD1-CD1 3.78Å; L70-I97 HydrophobicContact CD2-CD1 3.33Å; L70-I97 HydrophobicContact CD2-CG1 3.56Å; L70-I97 HydrophobicContact CG-CD1 4.2Å; F73-I97 HydrophobicContact CE2-CG1 4.32Å; I81-I97 HydrophobicContact CB-CD1 4.24Å; I81-I97 HydrophobicContact CD1-CD1 3.57Å; I81-I97 HydrophobicContact CG2-CD1 3.79Å; F82-I97 HydrophobicContact CE1-CD1 4.33Å; F82-I97 HydrophobicContact CE1-CG2 4.27Å; F82-I97 HydrophobicContact CZ-CD1 3.88Å; F82-I97 HydrophobicContact CZ-CG2 4.03Å; P93-I97 WeakPolarHBondContact O-CG1 3.37Å; P93-I97 PolarHBondContact O-N 3.07Å; F94-I97 PolarHBondContact O-N 3.06Å; I97-R99 PolarHBondContact O-N 3.19Å; I97-R100 CarbonylContact O-C 3.13Å; I97-R100 PolarHBondContact O-N 3.41Å; I97-L101 HydrophobicContact CG2-CD1 3.49Å; I97-L101 VanDerWaalsContact CG2-CD1 3.49Å; I97-L101 HydrophobicContact CG2-CG 3.98Å; I97-L101 WeakPolarHBondContact O-CB 3.47Å; I97-L101 WeakPolarHBondContact O-CG 3.37Å; I97-L101 PolarHBondContact O-N 3.24Å
98	A	90.3	Very high	90.9	Very high	16 Å²	16	59.2 Å²	59.2	13%	0.132	26%	0.256	C	S	.	.	H	α-helix	trans	-54.4	-41.2	178.4	0	0	0	0	0	111.3	F94 F95 L101 Y102 F153	F94-A98 WeakPolarHBondContact O-CB 3.5Å; F94-A98 PolarHBondContact O-N 2.94Å; F95-A98 PolarHBondContact O-N 2.97Å; A98-L101 PolarHBondContact O-N 3.35Å; A98-Y102 PolarHBondContact O-N 2.91Å; A98-F153 HydrophobicContact CB-CE1 3.97Å; A98-F153 HydrophobicContact CB-CZ 3.97Å
99	R	89.6	Confident	91.1	Very high	67 Å²	67	51.3 Å²	51.3	25%	0.253	23%	0.226	S	C	.	.	H	α-helix	trans	-63	-46.7	173.9	-166.4	-169.4	66	70.7	2.3	112.4	F95 E96 I97 L101 Y102 I174 L175	F95-R99 WeakPolarHBondContact O-CB 3.36Å; F95-R99 PolarHBondContact O-N 3.22Å; E96-R99 VanDerWaalsContact CD-NH2 3.32Å; E96-R99 WeakPolarHBondContact O-CB 3.48Å; E96-R99 PolarHBondContact O-N 3.32Å; E96-R99 IonicContact OE1-CZ 3.75Å; E96-R99 IonicContact OE1-NE 2.99Å; E96-R99 IonicContact OE1-NH2 2.78Å; E96-R99 PolarHBondContact OE1-NH2 2.85Å; E96-R99 IonicContact OE2-CZ 3.06Å; E96-R99 IonicContact OE2-NE 3.93Å; E96-R99 PolarHBondContact OE2-NE 3.15Å; E96-R99 IonicContact OE2-NH2 2.7Å; E96-R99 PolarHBondContact OE2-NH2 3.27Å; E96-R99 VanDerWaalsContact OE2-NH2 3.17Å; I97-R99 PolarHBondContact O-N 3.19Å; R99-L101 VanDerWaalsContact C-N 3.26Å; R99-L101 PolarHBondContact O-N 3.41Å; R99-Y102 PolarHBondContact O-N 2.97Å; R99-I174 HydrophobicContact CB-CG2 3.65Å; R99-I174 VanDerWaalsContact CD-O 3.3Å; R99-I174 WeakPolarHBondContact CD-O 3.31Å; R99-I174 HydrophobicContact CG-CG2 4.17Å; R99-L175 HydrophobicContact CG-CD2 4.35Å
100	R	85.1	Confident	91.4	Very high	95 Å²	95	44.9 Å²	44.9	36%	0.358	20%	0.204	S	C	.	.	H	α-helix	trans	-65.5	-28.1	178.8	-73.7	178.7	-176	-164	-0.7	112.7	D72 E96 I97 R103	D72-R100 IonicContact OD2-CZ 2.8Å; D72-R100 IonicContact OD2-NH1 3.33Å; D72-R100 PolarHBondContact OD2-NH1 3.28Å; D72-R100 IonicContact OD2-NH2 3.72Å; D72-R100 PolarHBondContact OD2-NH2 3.34Å; D72-R100 VanDerWaalsContact OD2-NH2 3.17Å; E96-R100 WeakPolarHBondContact O-CG 3.44Å; E96-R100 PolarHBondContact O-N 3.23Å; E96-R100 IonicContact OE1-CZ 2.79Å; E96-R100 IonicContact OE1-NE 3.34Å; E96-R100 PolarHBondContact OE1-NE 3.49Å; E96-R100 IonicContact OE1-NH2 3.9Å; I97-R100 CarbonylContact O-C 3.13Å; I97-R100 PolarHBondContact O-N 3.41Å; R100-R103 PolarHBondContact O-NH1 2.97Å; R100-R103 PolarHBondContact O-NH2 3.25Å
101	L	84.7	Confident	91.7	Very high	49 Å²	49	43.5 Å²	43.5	26%	0.257	20%	0.197	S	C	.	.	H	α-helix	trans	-91.4	-10.8	179.1	-64	179.4	0	0	0	113.8	P57 I66 I97 A98 R99 R103	P57-L101 HydrophobicContact CG-CD2 3.64Å; I66-L101 HydrophobicContact CD1-CD1 3.5Å; I66-L101 VanDerWaalsContact CD1-CD1 3.5Å; I66-L101 HydrophobicContact CD1-CD2 4.23Å; I66-L101 HydrophobicContact CG1-CD1 3.96Å; I66-L101 HydrophobicContact CG1-CD2 3.92Å; I66-L101 HydrophobicContact CG2-CD1 4.44Å; I97-L101 HydrophobicContact CG2-CD1 3.49Å; I97-L101 VanDerWaalsContact CG2-CD1 3.49Å; I97-L101 HydrophobicContact CG2-CG 3.98Å; I97-L101 WeakPolarHBondContact O-CB 3.47Å; I97-L101 WeakPolarHBondContact O-CG 3.37Å; I97-L101 PolarHBondContact O-N 3.24Å; A98-L101 PolarHBondContact O-N 3.35Å; R99-L101 VanDerWaalsContact C-N 3.26Å; R99-L101 PolarHBondContact O-N 3.41Å; L101-R103 PolarHBondContact O-N 2.96Å
102	Y	88.4	Confident	91.9	Very high	68 Å²	68	42.7 Å²	42.7	27%	0.267	19%	0.191	S	C	.	.			trans	-63.2	121.6	177.5	-173.8	-119.9	0	0	0	110.8	A98 R99 P104 F167 L171 L175	A98-Y102 PolarHBondContact O-N 2.91Å; R99-Y102 PolarHBondContact O-N 2.97Å; Y102-P104 HydrophobicContact CD1-CG 4.22Å; Y102-P104 HydrophobicContact CE1-CB 3.82Å; Y102-P104 HydrophobicContact CE1-CG 3.7Å; Y102-F167 HydrophobicContact CE2-CZ 4.03Å; Y102-L171 HydrophobicContact CD1-CD1 3.95Å; Y102-L171 HydrophobicContact CD2-CD1 3.96Å; Y102-L171 HydrophobicContact CE1-CD1 3.67Å; Y102-L171 HydrophobicContact CE1-CD2 4.23Å; Y102-L171 HydrophobicContact CE1-CG 4.5Å; Y102-L171 HydrophobicContact CE2-CD1 3.71Å; Y102-L171 HydrophobicContact CE2-CD2 4.38Å; Y102-L171 HydrophobicContact CG-CD1 4.08Å; Y102-L171 VanDerWaalsContact OH-CD2 3.27Å; Y102-L171 WeakPolarHBondContact OH-CD2 3.42Å; Y102-L175 HydrophobicContact CD1-CD2 3.88Å; Y102-L175 HydrophobicContact CE1-CD1 4.32Å; Y102-L175 HydrophobicContact CE1-CD2 4.38Å
103	R	89.1	Confident	92.2	Very high	93 Å²	93	35 Å²	35	35%	0.351	16%	0.162	S	C	.	.			trans	-130.8	80.9	179	-65.1	-67.3	177.8	-76.6	-6.6	109	R100 L101 E105 A106	R100-R103 PolarHBondContact O-NH1 2.97Å; R100-R103 PolarHBondContact O-NH2 3.25Å; L101-R103 PolarHBondContact O-N 2.96Å; R103-E105 PolarHBondContact O-N 3.48Å; R103-A106 HydrophobicContact CB-CB 3.71Å; R103-A106 VanDerWaalsContact O-CB 3.31Å; R103-A106 WeakPolarHBondContact O-CB 3.01Å; R103-A106 PolarHBondContact O-N 3.26Å
104	P	87.5	Confident	92.7	Very high	62 Å²	62	34.6 Å²	34.6	40%	0.403	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.4	-177.5	22.8	-31.2	0	0	0	113.5	Y102 F325	Y102-P104 HydrophobicContact CD1-CG 4.22Å; Y102-P104 HydrophobicContact CE1-CB 3.82Å; Y102-P104 HydrophobicContact CE1-CG 3.7Å; P104-F325 HydrophobicContact CB-CE2 4.48Å
105	E	89.6	Confident	93	Very high	109 Å²	109	34.4 Å²	34.4	51%	0.509	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.8	177.3	70.4	-75.8	175.8	0	0	114.2	R103	R103-E105 PolarHBondContact O-N 3.48Å
106	A	94.2	Very high	93.3	Very high	12 Å²	12	37 Å²	37	10%	0.099	17%	0.169	C	C	.	.			trans	-63.5	139.3	179.2	0	0	0	0	0	110.5	A54 I56 R103 L135	A54-A106 HydrophobicContact CB-CB 4.5Å; I56-A106 HydrophobicContact CD1-CB 3.96Å; I56-A106 HydrophobicContact CG1-CB 4.2Å; R103-A106 HydrophobicContact CB-CB 3.71Å; R103-A106 VanDerWaalsContact O-CB 3.31Å; R103-A106 WeakPolarHBondContact O-CB 3.01Å; R103-A106 PolarHBondContact O-N 3.26Å; A106-L135 HydrophobicContact CB-CD2 4.17Å
107	K	97.2	Very high	93.8	Very high	59 Å²	59	35.7 Å²	35.7	26%	0.257	16%	0.163	S	C	.	.			trans	-122.4	154.3	-176.8	-68.4	172.7	-171	158.5	0	110.6	A54 T109 D318 L321 N322	A54-K107 VanDerWaalsContact CB-O 3.28Å; A54-K107 WeakPolarHBondContact CB-O 3.41Å; K107-T109 PolarHBondContact O-N 3.2Å; K107-D318 HydrophobicContact CD-CB 4.22Å; K107-D318 WeakPolarHBondContact CD-OD1 3.49Å; K107-L321 HydrophobicContact CB-CD1 4.35Å; K107-L321 HydrophobicContact CG-CD1 4.07Å; K107-N322 VanDerWaalsContact CE-OD1 3.26Å; K107-N322 WeakPolarHBondContact CE-OD1 3.38Å; K107-N322 PolarHBondContact NZ-OD1 3.25Å
108	P	98.3	Very high	94.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.161	C	C	.	.			trans	-50.5	135.4	172.4	-25.3	34.4	0	0	0	111.5	H112 L135 L138 S139 K314 T317 L321	P108-H112 HydrophobicContact CB-CB 3.68Å; P108-L135 WeakPolarHBondContact CG-O 3.36Å; P108-L138 HydrophobicContact CG-CB 3.77Å; P108-S139 VanDerWaalsContact CG-N 3.33Å; P108-K314 WeakPolarHBondContact O-CD 3.17Å; P108-K314 WeakPolarHBondContact O-CE 3.29Å; P108-K314 PolarHBondContact O-NZ 3.39Å; P108-K314 VanDerWaalsContact O-NZ 3.16Å; P108-T317 HydrophobicContact CB-CG2 4.44Å; P108-T317 HydrophobicContact CG-CG2 3.92Å; P108-L321 HydrophobicContact CG-CD1 4.13Å
109	T	98.7	Very high	94.8	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.025	17%	0.165	C	C	.	.			trans	-80.3	177.9	174.7	68.2	0	0	0	0	111.4	V50 A53 A54 K107 A111 H112 C113 D294	V50-T109 WeakPolarHBondContact O-CB 3.27Å; V50-T109 WeakPolarHBondContact O-CG2 3.25Å; V50-T109 PolarHBondContact O-OG1 3.37Å; A53-T109 HydrophobicContact CB-CG2 3.84Å; A54-T109 HydrophobicContact CB-CG2 3.75Å; K107-T109 PolarHBondContact O-N 3.2Å; T109-A111 PolarHBondContact O-N 2.8Å; T109-A111 PolarHBondContact OG1-N 3.06Å; T109-H112 PolarHBondContact N-ND1 2.8Å; T109-H112 PolarHBondContact O-N 3.22Å; T109-H112 PolarHBondContact OG1-ND1 3.41Å; T109-C113 PolarHBondContact O-N 2.96Å; T109-D294 WeakPolarHBondContact CB-OD1 3.18Å; T109-D294 PolarHBondContact OG1-OD1 3.41Å
110	L	98.8	Very high	95.2	Very high	31 Å²	31	37.2 Å²	37.2	16%	0.162	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-34.6	174.3	-67.4	169.2	0	0	0	111.3	H112 C113 F114 D294 V297 V298 L310 L311 K314	L110-H112 PolarHBondContact O-N 2.84Å; L110-C113 PolarHBondContact O-N 3.47Å; L110-F114 WeakPolarHBondContact O-CB 3.3Å; L110-F114 PolarHBondContact O-N 3.19Å; L110-D294 HydrophobicContact CB-CB 4.22Å; L110-D294 HydrophobicContact CD1-CB 4.5Å; L110-D294 PolarHBondContact N-OD1 3.29Å; L110-D294 PolarHBondContact N-OD2 2.77Å; L110-V297 HydrophobicContact CB-CG2 4.09Å; L110-V298 HydrophobicContact CD1-CG2 3.72Å; L110-L310 HydrophobicContact CB-CD2 4.49Å; L110-L310 HydrophobicContact CD2-CD2 4.39Å; L110-L310 HydrophobicContact CD2-CG 4.14Å; L110-L311 HydrophobicContact CD2-CD2 4.07Å; L110-K314 HydrophobicContact CD2-CB 3.92Å; L110-K314 HydrophobicContact CD2-CD 4.34Å; L110-K314 HydrophobicContact CD2-CG 3.9Å
111	A	98.8	Very high	95.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-42.4	174.2	0	0	0	0	0	112.6	V50 T109 F114 I115 A293 D294 V297	V50-A111 HydrophobicContact CB-CB 3.9Å; V50-A111 HydrophobicContact CG1-CB 4.09Å; T109-A111 PolarHBondContact O-N 2.8Å; T109-A111 PolarHBondContact OG1-N 3.06Å; A111-F114 PolarHBondContact O-N 3.03Å; A111-I115 WeakPolarHBondContact O-CD1 3.48Å; A111-I115 WeakPolarHBondContact O-CG1 3.29Å; A111-I115 PolarHBondContact O-N 2.8Å; A111-I115 VanDerWaalsContact O-N 3.16Å; A111-A293 HydrophobicContact CB-CB 4Å; A111-D294 WeakPolarHBondContact CB-OD1 3.49Å; A111-D294 PolarHBondContact N-OD1 2.98Å; A111-V297 HydrophobicContact CB-CG1 4.37Å; A111-V297 HydrophobicContact CB-CG2 4.41Å
112	H	98.8	Very high	96.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-46.5	175.1	-63.7	89.3	0	0	0	111.5	V50 S51 P108 T109 L110 F114 I115 R116 L135 E136	V50-H112 PolarHBondContact O-CE1 3.41Å; S51-H112 PolarHBondContact OG-CE1 3.24Å; P108-H112 HydrophobicContact CB-CB 3.68Å; T109-H112 PolarHBondContact N-ND1 2.8Å; T109-H112 PolarHBondContact O-N 3.22Å; T109-H112 PolarHBondContact OG1-ND1 3.41Å; L110-H112 PolarHBondContact O-N 2.84Å; H112-F114 VanDerWaalsContact C-N 3.29Å; H112-F114 PolarHBondContact O-N 3.3Å; H112-I115 PolarHBondContact O-N 3.31Å; H112-R116 PolarHBondContact O-N 2.8Å; H112-R116 VanDerWaalsContact O-N 3.08Å; H112-L135 WeakPolarHBondContact NE2-CB 3.43Å; H112-E136 IonicContact NE2-OE1 3.51Å
113	C	98.7	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63	-34.4	176.5	-68	0	0	0	0	112.2	T109 L110 R116 L117 L310 L313	T109-C113 PolarHBondContact O-N 2.96Å; L110-C113 PolarHBondContact O-N 3.47Å; C113-R116 PolarHBondContact O-N 3.46Å; C113-L117 WeakPolarHBondContact O-CB 3.49Å; C113-L117 PolarHBondContact O-N 3.07Å; C113-L310 HydrophobicContact CB-CD1 3.75Å; C113-L313 HydrophobicContact CB-CD2 4.26Å; C113-L313 HydrophobicContact CB-CG 4.38Å; C113-L313 VanDerWaalsContact O-CD2 3.27Å; C113-L313 WeakPolarHBondContact O-CD2 3.44Å
114	F	98.8	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.4	-42.6	174.8	174.9	-105.1	0	0	0	111.5	L110 A111 H112 R116 L117 L118 I219 M221 V297 I300 S301 W306 L310	L110-F114 WeakPolarHBondContact O-CB 3.3Å; L110-F114 PolarHBondContact O-N 3.19Å; A111-F114 PolarHBondContact O-N 3.03Å; H112-F114 VanDerWaalsContact C-N 3.29Å; H112-F114 PolarHBondContact O-N 3.3Å; F114-R116 VanDerWaalsContact C-N 3.32Å; F114-R116 PolarHBondContact O-N 2.77Å; F114-L117 WeakPolarHBondContact O-CB 3.37Å; F114-L117 PolarHBondContact O-N 2.95Å; F114-L117 VanDerWaalsContact O-N 3.13Å; F114-L118 HydrophobicContact CD1-CD1 4.27Å; F114-L118 HydrophobicContact CD1-CG 4.46Å; F114-L118 HydrophobicContact CE1-CD1 3.75Å; F114-L118 HydrophobicContact CE1-CD2 4.35Å; F114-L118 HydrophobicContact CE1-CG 4.09Å; F114-L118 HydrophobicContact CE2-CD2 4.24Å; F114-L118 HydrophobicContact CE2-CG 4.49Å; F114-L118 HydrophobicContact CZ-CD1 4.15Å; F114-L118 HydrophobicContact CZ-CD2 3.89Å; F114-L118 HydrophobicContact CZ-CG 4.1Å; F114-L118 WeakPolarHBondContact O-CG 3.48Å; F114-L118 PolarHBondContact O-N 2.85Å; F114-I219 HydrophobicContact CE1-CD1 4.24Å; F114-I219 HydrophobicContact CZ-CD1 4.49Å; F114-M221 HydrophobicContact CD1-SD 4.48Å; F114-V297 HydrophobicContact CB-CB 3.82Å; F114-V297 HydrophobicContact CB-CG1 3.96Å; F114-V297 HydrophobicContact CB-CG2 4.21Å; F114-V297 HydrophobicContact CD1-CB 4.09Å; F114-V297 HydrophobicContact CD1-CG1 3.58Å; F114-V297 HydrophobicContact CD2-CB 4.26Å; F114-V297 HydrophobicContact CE1-CG1 4.23Å; F114-V297 HydrophobicContact CG-CB 3.8Å; F114-V297 HydrophobicContact CG-CG1 3.8Å; F114-I300 HydrophobicContact CD2-CG2 4.45Å; F114-I300 HydrophobicContact CE1-CG2 4.4Å; F114-I300 HydrophobicContact CE2-CG2 3.67Å; F114-I300 HydrophobicContact CZ-CG2 3.63Å; F114-S301 WeakPolarHBondContact CD2-OG 3.36Å; F114-W306 HydrophobicContact CE2-CE3 4.49Å; F114-L310 HydrophobicContact CB-CD1 3.97Å
115	I	98.9	Very high	97.9	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.015	15%	0.151	C	C	.	.	H	α-helix	trans	-62.2	-42.4	175.4	-64.1	152.9	0	0	0	110.7	T44 V46 A111 H112 L117 L118 H119 L124 H127 L141 M221	T44-I115 HydrophobicContact CG2-CG1 4.33Å; V46-I115 HydrophobicContact CG1-CD1 4.1Å; A111-I115 WeakPolarHBondContact O-CD1 3.48Å; A111-I115 WeakPolarHBondContact O-CG1 3.29Å; A111-I115 PolarHBondContact O-N 2.8Å; A111-I115 VanDerWaalsContact O-N 3.16Å; H112-I115 PolarHBondContact O-N 3.31Å; I115-L117 VanDerWaalsContact C-N 3.32Å; I115-L117 PolarHBondContact O-N 3.27Å; I115-L118 WeakPolarHBondContact O-CB 3.44Å; I115-L118 PolarHBondContact O-N 2.83Å; I115-H119 PolarHBondContact O-N 2.95Å; I115-L124 HydrophobicContact CG2-CD1 4.42Å; I115-L124 HydrophobicContact CG2-CD2 4.08Å; I115-H127 WeakPolarHBondContact CD1-CE1 3.37Å; I115-H127 HydrophobicContact CG2-CB 3.95Å; I115-L141 HydrophobicContact CG2-CD1 4.35Å; I115-L141 HydrophobicContact CG2-CD2 4.06Å; I115-M221 HydrophobicContact CD1-CE 3.76Å; I115-M221 HydrophobicContact CG1-CE 3.77Å
116	R	98.8	Very high	98.3	Very high	64 Å²	64	24.8 Å²	24.8	24%	0.242	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-40.1	173.2	174.1	62.2	-157.9	-102.5	-2.7	111.7	H112 C113 F114 L118 H119 D120 G140 L313	H112-R116 PolarHBondContact O-N 2.8Å; H112-R116 VanDerWaalsContact O-N 3.08Å; C113-R116 PolarHBondContact O-N 3.46Å; F114-R116 VanDerWaalsContact C-N 3.32Å; F114-R116 PolarHBondContact O-N 2.77Å; R116-L118 VanDerWaalsContact C-N 3.35Å; R116-L118 PolarHBondContact O-N 2.88Å; R116-H119 WeakPolarHBondContact O-CA 3.39Å; R116-H119 VanDerWaalsContact O-CB 3.27Å; R116-H119 WeakPolarHBondContact O-CB 3.41Å; R116-H119 PolarHBondContact O-N 3.47Å; R116-D120 IonicContact CZ-OD1 3.84Å; R116-D120 VanDerWaalsContact CZ-OD1 3.23Å; R116-D120 IonicContact CZ-OD2 3.53Å; R116-D120 IonicContact NE-OD1 3.09Å; R116-D120 PolarHBondContact NE-OD1 3.47Å; R116-D120 IonicContact NE-OD2 3.86Å; R116-D120 PolarHBondContact NE-OD2 3.21Å; R116-D120 IonicContact NH2-OD1 3.71Å; R116-D120 PolarHBondContact NH2-OD1 3.08Å; R116-D120 IonicContact NH2-OD2 2.85Å; R116-D120 PolarHBondContact O-N 3.28Å; R116-G140 PolarHBondContact NH1-O 3.35Å; R116-L313 HydrophobicContact CB-CD2 4.1Å; R116-L313 HydrophobicContact CG-CD1 4.39Å; R116-L313 HydrophobicContact CG-CD2 3.86Å
117	L	98.6	Very high	98.5	Very high	11 Å²	11	24.2 Å²	24.2	6%	0.058	13%	0.128	C	C	.	.	H	α-helix	trans	-65.3	-36.8	177.6	-171.9	60.4	0	0	0	112.3	C113 F114 I115 H119 D120 K121 W306 D309 L310 L313	C113-L117 WeakPolarHBondContact O-CB 3.49Å; C113-L117 PolarHBondContact O-N 3.07Å; F114-L117 WeakPolarHBondContact O-CB 3.37Å; F114-L117 PolarHBondContact O-N 2.95Å; F114-L117 VanDerWaalsContact O-N 3.13Å; I115-L117 VanDerWaalsContact C-N 3.32Å; I115-L117 PolarHBondContact O-N 3.27Å; L117-H119 PolarHBondContact O-N 3.32Å; L117-D120 PolarHBondContact O-N 3.17Å; L117-K121 HydrophobicContact CD1-CD 4.4Å; L117-K121 VanDerWaalsContact CD1-CE 3.48Å; L117-K121 HydrophobicContact CD1-CG 4.46Å; L117-K121 HydrophobicContact CG-CD 4.19Å; L117-K121 VanDerWaalsContact CG-CE 3.43Å; L117-K121 WeakPolarHBondContact O-CB 3.5Å; L117-K121 VanDerWaalsContact O-CG 3.31Å; L117-K121 WeakPolarHBondContact O-CG 3.45Å; L117-K121 PolarHBondContact O-N 2.94Å; L117-W306 HydrophobicContact CD2-CB 4.11Å; L117-W306 HydrophobicContact CD2-CE3 4.4Å; L117-D309 HydrophobicContact CD1-CB 4.02Å; L117-D309 HydrophobicContact CD2-CB 4.06Å; L117-L310 HydrophobicContact CD2-CB 4.04Å; L117-L313 HydrophobicContact CB-CD2 4.01Å; L117-L313 HydrophobicContact CD1-CD2 4.47Å
118	L	98.7	Very high	98.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.2	-37	170.8	-67.2	179.2	0	0	0	111.8	I42 T44 F114 I115 R116 G122 L123 L124 I219 W306	I42-L118 HydrophobicContact CD1-CD1 4.4Å; I42-L118 HydrophobicContact CD1-CD2 3.87Å; I42-L118 HydrophobicContact CG2-CD1 4.09Å; T44-L118 HydrophobicContact CG2-CD1 3.75Å; F114-L118 HydrophobicContact CD1-CD1 4.27Å; F114-L118 HydrophobicContact CD1-CG 4.46Å; F114-L118 HydrophobicContact CE1-CD1 3.75Å; F114-L118 HydrophobicContact CE1-CD2 4.35Å; F114-L118 HydrophobicContact CE1-CG 4.09Å; F114-L118 HydrophobicContact CE2-CD2 4.24Å; F114-L118 HydrophobicContact CE2-CG 4.49Å; F114-L118 HydrophobicContact CZ-CD1 4.15Å; F114-L118 HydrophobicContact CZ-CD2 3.89Å; F114-L118 HydrophobicContact CZ-CG 4.1Å; F114-L118 WeakPolarHBondContact O-CG 3.48Å; F114-L118 PolarHBondContact O-N 2.85Å; I115-L118 WeakPolarHBondContact O-CB 3.44Å; I115-L118 PolarHBondContact O-N 2.83Å; R116-L118 VanDerWaalsContact C-N 3.35Å; R116-L118 PolarHBondContact O-N 2.88Å; L118-G122 PolarHBondContact O-N 2.99Å; L118-L123 HydrophobicContact CD2-CD1 4.48Å; L118-L123 PolarHBondContact O-N 3.2Å; L118-L124 HydrophobicContact CB-CB 4.03Å; L118-L124 HydrophobicContact CB-CD1 4.49Å; L118-L124 PolarHBondContact O-N 3.21Å; L118-L124 VanDerWaalsContact O-N 3.11Å; L118-I219 HydrophobicContact CD1-CD1 4.34Å; L118-W306 HydrophobicContact CD2-CH2 4.44Å; L118-W306 HydrophobicContact CD2-CZ3 3.8Å
119	H	98.6	Very high	98.6	Very high	45 Å²	45	21.4 Å²	21.4	21%	0.208	12%	0.116	C	C	.	.	H	α-helix	trans	-67	-48.5	174	170.8	59.1	0	0	0	111.8	I115 R116 L117 K121 G122 L124 L141 P142	I115-H119 PolarHBondContact O-N 2.95Å; R116-H119 WeakPolarHBondContact O-CA 3.39Å; R116-H119 VanDerWaalsContact O-CB 3.27Å; R116-H119 WeakPolarHBondContact O-CB 3.41Å; R116-H119 PolarHBondContact O-N 3.47Å; L117-H119 PolarHBondContact O-N 3.32Å; H119-K121 PolarHBondContact O-N 2.9Å; H119-G122 WeakPolarHBondContact O-CA 3.37Å; H119-G122 PolarHBondContact O-N 3.49Å; H119-L124 HydrophobicContact CB-CB 4.1Å; H119-L124 HydrophobicContact CB-CD2 3.93Å; H119-L141 HydrophobicContact CB-CD1 3.96Å; H119-P142 WeakPolarHBondContact NE2-CG 3.34Å
120	D	98.4	Very high	98.5	Very high	76 Å²	76	22 Å²	22	41%	0.406	12%	0.118	S	C	.	.	H	α-helix	trans	-62	-30.8	-179.8	-65.7	-23.9	0	0	0	112.3	R116 L117 G122	R116-D120 IonicContact CZ-OD1 3.84Å; R116-D120 VanDerWaalsContact CZ-OD1 3.23Å; R116-D120 IonicContact CZ-OD2 3.53Å; R116-D120 IonicContact NE-OD1 3.09Å; R116-D120 PolarHBondContact NE-OD1 3.47Å; R116-D120 IonicContact NE-OD2 3.86Å; R116-D120 PolarHBondContact NE-OD2 3.21Å; R116-D120 IonicContact NH2-OD1 3.71Å; R116-D120 PolarHBondContact NH2-OD1 3.08Å; R116-D120 IonicContact NH2-OD2 2.85Å; R116-D120 PolarHBondContact O-N 3.28Å; L117-D120 PolarHBondContact O-N 3.17Å; D120-G122 VanDerWaalsContact C-N 3.26Å; D120-G122 PolarHBondContact O-N 3.39Å
121	K	98	Very high	98.3	Very high	65 Å²	65	20.8 Å²	20.8	28%	0.283	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	2	174.3	-65.6	179.6	-169	-88.4	0	113.8	L117 H119 L123 W306 D309	L117-K121 HydrophobicContact CD1-CD 4.4Å; L117-K121 VanDerWaalsContact CD1-CE 3.48Å; L117-K121 HydrophobicContact CD1-CG 4.46Å; L117-K121 HydrophobicContact CG-CD 4.19Å; L117-K121 VanDerWaalsContact CG-CE 3.43Å; L117-K121 WeakPolarHBondContact O-CB 3.5Å; L117-K121 VanDerWaalsContact O-CG 3.31Å; L117-K121 WeakPolarHBondContact O-CG 3.45Å; L117-K121 PolarHBondContact O-N 2.94Å; H119-K121 PolarHBondContact O-N 2.9Å; K121-L123 VanDerWaalsContact C-N 3.3Å; K121-L123 HydrophobicContact CB-CD1 4.27Å; K121-L123 HydrophobicContact CB-CG 4.38Å; K121-L123 PolarHBondContact O-N 2.59Å; K121-W306 HydrophobicContact CD-CD2 3.42Å; K121-W306 VanDerWaalsContact CD-CD2 3.42Å; K121-W306 HydrophobicContact CD-CE3 3.53Å; K121-W306 HydrophobicContact CD-CG 4.17Å; K121-W306 HydrophobicContact CD-CH2 3.57Å; K121-W306 HydrophobicContact CD-CZ2 3.44Å; K121-W306 VanDerWaalsContact CD-CZ2 3.44Å; K121-W306 HydrophobicContact CD-CZ3 3.59Å; K121-W306 VanDerWaalsContact CE-CG 3.42Å; K121-W306 VanDerWaalsContact NZ-CG 3.34Å; K121-D309 IonicContact NZ-OD2 3.88Å; K121-D309 PolarHBondContact NZ-OD2 2.82Å
122	G	98.1	Very high	98	Very high	60 Å²	60	22.4 Å²	22.4	62%	0.619	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	11.6	176.8	0	0	0	0	0	115.3	L118 H119 D120	L118-G122 PolarHBondContact O-N 2.99Å; H119-G122 WeakPolarHBondContact O-CA 3.37Å; H119-G122 PolarHBondContact O-N 3.49Å; D120-G122 VanDerWaalsContact C-N 3.26Å; D120-G122 PolarHBondContact O-N 3.39Å
123	L	98.5	Very high	97.7	Very high	19 Å²	19	24.3 Å²	24.3	10%	0.099	13%	0.133	C	C	.	.			trans	-96.2	-23.1	-173.6	-62.3	172.3	0	0	0	113.4	I34 V39 N40 I42 L118 K121 L125 W306	I34-L123 HydrophobicContact CG2-CD1 3.96Å; V39-L123 VanDerWaalsContact O-CD2 3.25Å; V39-L123 WeakPolarHBondContact O-CD2 3.2Å; N40-L123 CarbonylContact C-O 3.59Å; I42-L123 WeakPolarHBondContact CB-O 3.38Å; I42-L123 HydrophobicContact CD1-CB 3.85Å; I42-L123 HydrophobicContact CD1-CD1 4.34Å; I42-L123 HydrophobicContact CG1-CB 4.3Å; I42-L123 PolarHBondContact N-O 2.83Å; L118-L123 HydrophobicContact CD2-CD1 4.48Å; L118-L123 PolarHBondContact O-N 3.2Å; K121-L123 VanDerWaalsContact C-N 3.3Å; K121-L123 HydrophobicContact CB-CD1 4.27Å; K121-L123 HydrophobicContact CB-CG 4.38Å; K121-L123 PolarHBondContact O-N 2.59Å; L123-L125 PolarHBondContact O-N 3.44Å; L123-W306 HydrophobicContact CD1-CH2 3.43Å; L123-W306 VanDerWaalsContact CD1-CH2 3.43Å; L123-W306 HydrophobicContact CD1-CZ2 4.17Å; L123-W306 HydrophobicContact CD1-CZ3 4.32Å
124	L	98.8	Very high	97.4	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	115.3	-176.8	-172.7	72.2	0	0	0	111.6	T44 I115 L118 H119 H127 L141 K145	T44-L124 HydrophobicContact CG2-CD1 3.96Å; I115-L124 HydrophobicContact CG2-CD1 4.42Å; I115-L124 HydrophobicContact CG2-CD2 4.08Å; L118-L124 HydrophobicContact CB-CB 4.03Å; L118-L124 HydrophobicContact CB-CD1 4.49Å; L118-L124 PolarHBondContact O-N 3.21Å; L118-L124 VanDerWaalsContact O-N 3.11Å; H119-L124 HydrophobicContact CB-CB 4.1Å; H119-L124 HydrophobicContact CB-CD2 3.93Å; L124-H127 HydrophobicContact CD2-CB 4.32Å; L124-L141 HydrophobicContact CD2-CD1 3.68Å; L124-K145 HydrophobicContact CD2-CB 4.17Å; L124-K145 PolarHBondContact O-NZ 3.16Å
125	L	98.5	Very high	97.3	Very high	32 Å²	32	25.8 Å²	25.8	17%	0.168	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-57.8	168.7	178.4	59.8	0	0	0	110.8	K41 I42 I43 L123 D211 N214	K41-L125 HydrophobicContact CB-CB 4.12Å; K41-L125 HydrophobicContact CB-CD2 4.15Å; I42-L125 WeakPolarHBondContact O-CB 3.2Å; I42-L125 PolarHBondContact O-N 3.33Å; I43-L125 HydrophobicContact CD1-CD2 4.24Å; I43-L125 HydrophobicContact CG1-CB 4.34Å; I43-L125 HydrophobicContact CG1-CD2 4.08Å; I43-L125 HydrophobicContact CG1-CG 4.47Å; L123-L125 PolarHBondContact O-N 3.44Å; L125-D211 HydrophobicContact CD2-CB 4.34Å; L125-N214 HydrophobicContact CD2-CB 4.12Å
126	R	98.6	Very high	97.2	Very high	34 Å²	34	25.9 Å²	25.9	13%	0.128	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	146.9	178.6	-159.6	76	68.3	-160.7	-16.1	111.3	I43 T44 Y128 E144 K145 V147 N207 D211	I43-R126 WeakPolarHBondContact CA-O 3.39Å; T44-R126 PolarHBondContact N-O 3.08Å; T44-R126 VanDerWaalsContact N-O 3.07Å; R126-Y128 HydrophobicContact CB-CD2 4.17Å; R126-Y128 HydrophobicContact CB-CE2 3.72Å; R126-Y128 HydrophobicContact CG-CD2 3.93Å; R126-Y128 HydrophobicContact CG-CE2 3.51Å; R126-E144 PolarHBondContact NH1-O 3.41Å; R126-K145 VanDerWaalsContact CD-O 3.25Å; R126-K145 WeakPolarHBondContact CD-O 3.24Å; R126-V147 HydrophobicContact CG-CG2 3.79Å; R126-N207 PolarHBondContact NH2-ND2 2.96Å; R126-D211 WeakPolarHBondContact CB-OD2 3.33Å; R126-D211 WeakPolarHBondContact CG-OD2 3.4Å; R126-D211 IonicContact CZ-OD1 3.62Å; R126-D211 IonicContact CZ-OD2 2.78Å; R126-D211 IonicContact NE-OD1 2.82Å; R126-D211 IonicContact NE-OD2 2.75Å; R126-D211 PolarHBondContact NE-OD2 3.24Å; R126-D211 IonicContact NH2-OD1 3.13Å; R126-D211 PolarHBondContact NH2-OD1 3.14Å; R126-D211 IonicContact NH2-OD2 3.59Å; R126-D211 PolarHBondContact NH2-OD2 3.3Å
127	H	98.7	Very high	97	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124	168	178.6	48.6	0	0	0	110.7	T44 V46 I115 L124 E136 L141 K145 L146 V147	T44-H127 WeakPolarHBondContact OG1-CA 3.31Å; T44-H127 PolarHBondContact OG1-ND1 3.21Å; V46-H127 WeakPolarHBondContact CG2-CE1 3.23Å; I115-H127 WeakPolarHBondContact CD1-CE1 3.37Å; I115-H127 HydrophobicContact CG2-CB 3.95Å; L124-H127 HydrophobicContact CD2-CB 4.32Å; H127-E136 WeakPolarHBondContact NE2-CG 3.47Å; H127-E136 IonicContact NE2-OE1 3.57Å; H127-L141 HydrophobicContact CB-CD2 3.74Å; H127-K145 PolarHBondContact N-O 2.67Å; H127-L146 CarbonylContact O-C 3.49Å; H127-V147 PolarHBondContact O-N 2.99Å
128	Y	98.6	Very high	96.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.6	174.6	-72.5	-97.7	0	0	0	109.5	I43 T44 M45 V46 R126 V147 F204 L208 D211 M233	I43-Y128 HydrophobicContact CG2-CD2 3.84Å; I43-Y128 HydrophobicContact CG2-CE2 4.16Å; T44-Y128 PolarHBondContact O-N 2.88Å; M45-Y128 CarbonylContact C-O 3.53Å; M45-Y128 VanDerWaalsContact CA-O 3.31Å; M45-Y128 WeakPolarHBondContact CA-O 3.4Å; V46-Y128 PolarHBondContact N-O 3.17Å; R126-Y128 HydrophobicContact CB-CD2 4.17Å; R126-Y128 HydrophobicContact CB-CE2 3.72Å; R126-Y128 HydrophobicContact CG-CD2 3.93Å; R126-Y128 HydrophobicContact CG-CE2 3.51Å; Y128-V147 WeakPolarHBondContact CA-O 3.43Å; Y128-V147 HydrophobicContact CD1-CB 3.64Å; Y128-V147 HydrophobicContact CD1-CG1 3.54Å; Y128-V147 HydrophobicContact CD1-CG2 4.2Å; Y128-V147 HydrophobicContact CE1-CB 3.88Å; Y128-V147 HydrophobicContact CE1-CG1 3.66Å; Y128-V147 HydrophobicContact CE1-CG2 3.96Å; Y128-V147 HydrophobicContact CG-CB 4.16Å; Y128-V147 HydrophobicContact CG-CG1 4.49Å; Y128-F204 HydrophobicContact CD1-CD2 4.02Å; Y128-F204 AromaticContact CD1-CE2 3.99Å; Y128-F204 HydrophobicContact CD1-CE2 3.99Å; Y128-F204 HydrophobicContact CE1-CD2 4.15Å; Y128-F204 HydrophobicContact CE1-CE2 4.25Å; Y128-L208 HydrophobicContact CE1-CD1 3.85Å; Y128-D211 HydrophobicContact CE2-CB 4.47Å; Y128-D211 PolarHBondContact OH-OD2 3.19Å; Y128-M233 HydrophobicContact CD1-CE 3.67Å; Y128-M233 HydrophobicContact CD1-SD 4.1Å; Y128-M233 HydrophobicContact CD2-CE 3.67Å; Y128-M233 HydrophobicContact CE1-CE 3.86Å; Y128-M233 HydrophobicContact CE1-SD 4.45Å; Y128-M233 HydrophobicContact CE2-CE 3.84Å; Y128-M233 HydrophobicContact CG-CE 3.58Å; Y128-M233 HydrophobicContact CG-SD 4.39Å
129	T	98.1	Very high	96.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.6	178.9	-172.9	0	0	0	0	111.1	V46 N131 E136 L146 V147 E148 A149	V46-T129 VanDerWaalsContact CG2-OG1 3.27Å; V46-T129 WeakPolarHBondContact CG2-OG1 3.44Å; T129-N131 VanDerWaalsContact C-N 3.28Å; T129-N131 WeakPolarHBondContact OG1-CB 3.44Å; T129-N131 PolarHBondContact OG1-N 3.33Å; T129-E136 WeakPolarHBondContact CB-OE1 3.46Å; T129-E136 HydrophobicContact CG2-CG 4.27Å; T129-E136 PolarHBondContact OG1-OE1 2.95Å; T129-L146 HydrophobicContact CG2-CD1 3.86Å; T129-V147 PolarHBondContact N-O 2.72Å; T129-E148 HydrophobicContact CG2-CG 4.19Å; T129-A149 VanDerWaalsContact O-CB 3.29Å; T129-A149 WeakPolarHBondContact O-CB 3.31Å; T129-A149 PolarHBondContact O-N 3.37Å
130	Q	96.1	Very high	96.7	Very high	16 Å²	16	28 Å²	28	8%	0.075	16%	0.162	C	C	.	.			trans	-84.8	-8.1	166.2	-70.8	167.8	95.7	0	0	112.1	V46 H150 T223 F230	V46-Q130 PolarHBondContact O-N 3.07Å; V46-Q130 VanDerWaalsContact O-N 3.07Å; V46-Q130 PolarHBondContact O-NE2 3.32Å; V46-Q130 VanDerWaalsContact O-NE2 3.1Å; Q130-H150 WeakPolarHBondContact CB-ND1 3.41Å; Q130-H150 VanDerWaalsContact CG-CE1 3.46Å; Q130-H150 WeakPolarHBondContact CG-CE1 3.47Å; Q130-H150 WeakPolarHBondContact O-CB 3.43Å; Q130-H150 PolarHBondContact O-ND1 2.97Å; Q130-H150 VanDerWaalsContact O-ND1 3.14Å; Q130-T223 PolarHBondContact NE2-OG1 3.2Å; Q130-F230 HydrophobicContact CG-CB 4.35Å; Q130-F230 HydrophobicContact CG-CD1 3.56Å; Q130-F230 HydrophobicContact CG-CD2 3.79Å; Q130-F230 HydrophobicContact CG-CE1 3.65Å; Q130-F230 HydrophobicContact CG-CE2 3.84Å; Q130-F230 HydrophobicContact CG-CG 3.64Å; Q130-F230 HydrophobicContact CG-CZ 3.78Å; Q130-F230 VanDerWaalsContact NE2-CE1 3.26Å
131	N	95.3	Very high	96.7	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.037	15%	0.145	C	C	.	.			trans	-83.5	154.5	-173.4	-56.5	-19.9	0	0	0	110.3	G47 A48 V50 S51 T129	G47-N131 WeakPolarHBondContact CA-OD1 3.48Å; G47-N131 PolarHBondContact O-ND2 2.61Å; G47-N131 VanDerWaalsContact O-ND2 3.15Å; A48-N131 WeakPolarHBondContact CA-OD1 3.14Å; A48-N131 PolarHBondContact N-OD1 3.11Å; V50-N131 WeakPolarHBondContact CG2-ND2 3.46Å; S51-N131 PolarHBondContact OG-ND2 2.79Å; T129-N131 VanDerWaalsContact C-N 3.28Å; T129-N131 WeakPolarHBondContact OG1-CB 3.44Å; T129-N131 PolarHBondContact OG1-N 3.33Å
132	V	93.3	Very high	96.6	Very high	34 Å²	34	23.3 Å²	23.3	21%	0.206	14%	0.141	C	C	.	.			trans	-127.5	11.9	179.9	-57.5	0	0	0	0	111.2	S134 H150 G151 F153 V193	V132-S134 VanDerWaalsContact C-N 3.27Å; V132-S134 PolarHBondContact O-N 2.91Å; V132-H150 HydrophobicContact CG1-CB 4.29Å; V132-H150 WeakPolarHBondContact CG1-O 3.21Å; V132-G151 WeakPolarHBondContact CG1-O 3.49Å; V132-F153 HydrophobicContact CB-CD2 4.09Å; V132-F153 HydrophobicContact CB-CE2 4.34Å; V132-F153 HydrophobicContact CG2-CD2 3.82Å; V132-F153 HydrophobicContact CG2-CE2 3.61Å; V132-V193 HydrophobicContact CB-CG1 4.2Å; V132-V193 HydrophobicContact CG1-CG1 4.12Å; V132-V193 HydrophobicContact CG2-CG1 4.29Å
133	D	92.5	Very high	96.5	Very high	41 Å²	41	24.5 Å²	24.5	22%	0.219	13%	0.131	C	C	.	.	S	Bend	trans	-80.3	-5.5	-176.3	55.6	34	0	0	0	113.6	S51 I56 L135	S51-D133 VanDerWaalsContact CB-OD2 3.27Å; S51-D133 WeakPolarHBondContact CB-OD2 3.26Å; S51-D133 PolarHBondContact OG-OD2 3.26Å; I56-D133 HydrophobicContact CD1-CB 3.6Å; D133-L135 HydrophobicContact CB-CG 4.37Å; D133-L135 PolarHBondContact O-N 2.89Å; D133-L135 WeakPolarHBondContact OD1-CB 3.48Å; D133-L135 WeakPolarHBondContact OD1-CG 3.3Å; D133-L135 PolarHBondContact OD1-N 3.46Å
134	S	91.3	Very high	96.4	Very high	29 Å²	29	28.8 Å²	28.8	20%	0.203	15%	0.15	C	C	.	.			trans	67.3	9.3	178.5	-50.8	0	0	0	0	115.3	V132 E136 R137 L138	V132-S134 VanDerWaalsContact C-N 3.27Å; V132-S134 PolarHBondContact O-N 2.91Å; S134-E136 PolarHBondContact O-N 3.4Å; S134-R137 WeakPolarHBondContact O-CB 3.35Å; S134-R137 PolarHBondContact O-N 3.26Å; S134-L138 PolarHBondContact O-N 3.4Å
135	L	96.5	Very high	96.4	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-63.7	-29.6	-178.5	-67.1	-169.3	0	0	0	112.3	A54 I56 A106 P108 H112 D133 R137 L138 S139	A54-L135 HydrophobicContact CB-CD1 3.73Å; I56-L135 HydrophobicContact CD1-CD1 3.85Å; I56-L135 HydrophobicContact CD1-CD2 4.47Å; I56-L135 HydrophobicContact CD1-CG 4.15Å; A106-L135 HydrophobicContact CB-CD2 4.17Å; P108-L135 WeakPolarHBondContact CG-O 3.36Å; H112-L135 WeakPolarHBondContact NE2-CB 3.43Å; D133-L135 HydrophobicContact CB-CG 4.37Å; D133-L135 PolarHBondContact O-N 2.89Å; D133-L135 WeakPolarHBondContact OD1-CB 3.48Å; D133-L135 WeakPolarHBondContact OD1-CG 3.3Å; D133-L135 PolarHBondContact OD1-N 3.46Å; L135-R137 VanDerWaalsContact C-N 3.33Å; L135-R137 PolarHBondContact O-N 2.87Å; L135-L138 HydrophobicContact CD2-CD1 4.04Å; L135-L138 PolarHBondContact O-N 3.05Å; L135-S139 PolarHBondContact O-N 2.78Å
136	E	96.7	Very high	96.4	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.019	15%	0.151	C	C	.	.	H	α-helix	trans	-61.4	-42.4	171.9	-63.7	80.2	175.6	0	0	111.6	H112 H127 T129 S134 S139 L141 L146	H112-E136 IonicContact NE2-OE1 3.51Å; H127-E136 WeakPolarHBondContact NE2-CG 3.47Å; H127-E136 IonicContact NE2-OE1 3.57Å; T129-E136 WeakPolarHBondContact CB-OE1 3.46Å; T129-E136 HydrophobicContact CG2-CG 4.27Å; T129-E136 PolarHBondContact OG1-OE1 2.95Å; S134-E136 PolarHBondContact O-N 3.4Å; E136-S139 PolarHBondContact O-N 3.22Å; E136-S139 PolarHBondContact O-OG 3.4Å; E136-L141 WeakPolarHBondContact O-CB 3.27Å; E136-L141 PolarHBondContact O-N 3.13Å; E136-L146 HydrophobicContact CB-CD1 3.75Å; E136-L146 HydrophobicContact CB-CD2 4.14Å; E136-L146 HydrophobicContact CG-CD1 3.93Å
137	R	94.9	Very high	96.3	Very high	75 Å²	75	27.7 Å²	27.7	28%	0.283	15%	0.145	S	C	.	.	H	α-helix	trans	-66.8	-43.3	177.3	-62.7	174.9	170.2	-72.5	-7.4	110.6	S134 L135 S139 G140 E143 L146 E148	S134-R137 WeakPolarHBondContact O-CB 3.35Å; S134-R137 PolarHBondContact O-N 3.26Å; L135-R137 VanDerWaalsContact C-N 3.33Å; L135-R137 PolarHBondContact O-N 2.87Å; R137-S139 PolarHBondContact O-N 3.03Å; R137-G140 WeakPolarHBondContact O-CA 3.45Å; R137-G140 PolarHBondContact O-N 2.89Å; R137-E143 IonicContact CZ-OE2 2.95Å; R137-E143 IonicContact NH1-OE2 3.29Å; R137-E143 PolarHBondContact NH1-OE2 2.79Å; R137-E143 IonicContact NH2-OE1 3.58Å; R137-E143 PolarHBondContact NH2-OE1 3.17Å; R137-E143 IonicContact NH2-OE2 2.81Å; R137-E143 PolarHBondContact NH2-OE2 2.94Å; R137-L146 HydrophobicContact CG-CD2 3.72Å; R137-E148 IonicContact CZ-OE1 2.77Å; R137-E148 IonicContact CZ-OE2 3.56Å; R137-E148 IonicContact NE-OE1 2.95Å; R137-E148 PolarHBondContact NE-OE1 2.82Å; R137-E148 VanDerWaalsContact NE-OE1 3.09Å; R137-E148 IonicContact NE-OE2 3.17Å; R137-E148 IonicContact NH2-OE1 3.79Å; R137-E148 IonicContact NH2-OE2 3.53Å; R137-E148 PolarHBondContact NH2-OE2 2.85Å
138	L	95.7	Very high	96.2	Very high	60 Å²	60	28.6 Å²	28.6	31%	0.314	15%	0.149	S	C	.	.	H	α-helix	trans	-64.9	-27.2	177.9	-64	-177.7	0	0	0	113.2	P108 S134 L135 G140 R320 L321	P108-L138 HydrophobicContact CG-CB 3.77Å; S134-L138 PolarHBondContact O-N 3.4Å; L135-L138 HydrophobicContact CD2-CD1 4.04Å; L135-L138 PolarHBondContact O-N 3.05Å; L138-G140 PolarHBondContact O-N 3.46Å; L138-R320 PolarHBondContact O-NH2 3.44Å; L138-L321 HydrophobicContact CB-CD1 4.12Å; L138-L321 HydrophobicContact CB-CD2 4.18Å; L138-L321 HydrophobicContact CD2-CD2 3.92Å
139	S	97.2	Very high	96.1	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.021	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-9.7	171.2	82.1	0	0	0	0	113.3	P108 L135 E136 R137 L141	P108-S139 VanDerWaalsContact CG-N 3.33Å; L135-S139 PolarHBondContact O-N 2.78Å; E136-S139 PolarHBondContact O-N 3.22Å; E136-S139 PolarHBondContact O-OG 3.4Å; R137-S139 PolarHBondContact O-N 3.03Å; S139-L141 VanDerWaalsContact C-N 3.35Å; S139-L141 PolarHBondContact OG-N 3.46Å
140	G	96.3	Very high	96	Very high	28 Å²	28	30.1 Å²	30.1	29%	0.289	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	18.7	-175.2	0	0	0	0	0	113	R116 R137 L138 P142	R116-G140 PolarHBondContact NH1-O 3.35Å; R137-G140 WeakPolarHBondContact O-CA 3.45Å; R137-G140 PolarHBondContact O-N 2.89Å; L138-G140 PolarHBondContact O-N 3.46Å; G140-P142 WeakPolarHBondContact O-CD 3.5Å
141	L	97.9	Very high	95.9	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.052	16%	0.155	C	C	.	.			trans	-64.1	128.3	174.4	-170.8	69.9	0	0	0	109.5	I115 H119 L124 H127 E136 S139 K145 L146	I115-L141 HydrophobicContact CG2-CD1 4.35Å; I115-L141 HydrophobicContact CG2-CD2 4.06Å; H119-L141 HydrophobicContact CB-CD1 3.96Å; L124-L141 HydrophobicContact CD2-CD1 3.68Å; H127-L141 HydrophobicContact CB-CD2 3.74Å; E136-L141 WeakPolarHBondContact O-CB 3.27Å; E136-L141 PolarHBondContact O-N 3.13Å; S139-L141 VanDerWaalsContact C-N 3.35Å; S139-L141 PolarHBondContact OG-N 3.46Å; L141-K145 HydrophobicContact CD1-CB 4.17Å; L141-K145 HydrophobicContact CD2-CB 4.5Å; L141-K145 HydrophobicContact CG-CB 4.15Å; L141-L146 HydrophobicContact CD2-CB 4.29Å; L141-L146 HydrophobicContact CD2-CD1 4.46Å
142	P	97.6	Very high	95.8	Very high	31 Å²	31	29.9 Å²	29.9	20%	0.201	16%	0.157	C	C	.	.			trans	-62.8	145.9	-178.4	-26.4	35.9	0	0	0	113.8	H119 G140 E144 K145 L146	H119-P142 WeakPolarHBondContact NE2-CG 3.34Å; G140-P142 WeakPolarHBondContact O-CD 3.5Å; P142-E144 WeakPolarHBondContact CB-OE1 3.25Å; P142-E144 WeakPolarHBondContact CB-OE2 3.48Å; P142-E144 PolarHBondContact O-N 2.9Å; P142-K145 HydrophobicContact CB-CG 4.38Å; P142-K145 WeakPolarHBondContact O-CB 3.43Å; P142-K145 PolarHBondContact O-N 2.81Å; P142-L146 PolarHBondContact O-N 2.8Å
143	E	95.5	Very high	95.8	Very high	86 Å²	86	30.5 Å²	30.5	40%	0.402	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-35.8	-177	178.5	60.3	-154.1	0	0	112.8	R137 K145 L146 K203	R137-E143 IonicContact CZ-OE2 2.95Å; R137-E143 IonicContact NH1-OE2 3.29Å; R137-E143 PolarHBondContact NH1-OE2 2.79Å; R137-E143 IonicContact NH2-OE1 3.58Å; R137-E143 PolarHBondContact NH2-OE1 3.17Å; R137-E143 IonicContact NH2-OE2 2.81Å; R137-E143 PolarHBondContact NH2-OE2 2.94Å; E143-K145 VanDerWaalsContact C-N 3.28Å; E143-K145 PolarHBondContact O-N 2.74Å; E143-L146 PolarHBondContact O-N 3.43Å; E143-K203 PolarHBondContact O-NZ 3.27Å; E143-K203 IonicContact OE1-NZ 2.66Å; E143-K203 PolarHBondContact OE1-NZ 3.46Å
144	E	96.9	Very high	95.6	Very high	108 Å²	108	33.5 Å²	33.5	51%	0.505	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-29.5	177.5	76.2	-72.8	175.1	0	0	111.6	R126 P142	R126-E144 PolarHBondContact NH1-O 3.41Å; P142-E144 WeakPolarHBondContact CB-OE1 3.25Å; P142-E144 WeakPolarHBondContact CB-OE2 3.48Å; P142-E144 PolarHBondContact O-N 2.9Å
145	K	98.1	Very high	95.8	Very high	46 Å²	46	33.6 Å²	33.6	20%	0.2	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-23.2	178.2	-64.2	-65	-179.9	171.6	0	112.9	L124 R126 H127 L141 P142 E143	L124-K145 HydrophobicContact CD2-CB 4.17Å; L124-K145 PolarHBondContact O-NZ 3.16Å; R126-K145 VanDerWaalsContact CD-O 3.25Å; R126-K145 WeakPolarHBondContact CD-O 3.24Å; H127-K145 PolarHBondContact N-O 2.67Å; L141-K145 HydrophobicContact CD1-CB 4.17Å; L141-K145 HydrophobicContact CD2-CB 4.5Å; L141-K145 HydrophobicContact CG-CB 4.15Å; P142-K145 HydrophobicContact CB-CG 4.38Å; P142-K145 WeakPolarHBondContact O-CB 3.43Å; P142-K145 PolarHBondContact O-N 2.81Å; E143-K145 VanDerWaalsContact C-N 3.28Å; E143-K145 PolarHBondContact O-N 2.74Å
146	L	97.8	Very high	95.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.8	-174.4	178.4	60.8	0	0	0	113.1	H127 T129 E136 R137 L141 P142 E143 E148 K203	H127-L146 CarbonylContact O-C 3.49Å; T129-L146 HydrophobicContact CG2-CD1 3.86Å; E136-L146 HydrophobicContact CB-CD1 3.75Å; E136-L146 HydrophobicContact CB-CD2 4.14Å; E136-L146 HydrophobicContact CG-CD1 3.93Å; R137-L146 HydrophobicContact CG-CD2 3.72Å; L141-L146 HydrophobicContact CD2-CB 4.29Å; L141-L146 HydrophobicContact CD2-CD1 4.46Å; P142-L146 PolarHBondContact O-N 2.8Å; E143-L146 PolarHBondContact O-N 3.43Å; L146-E148 HydrophobicContact CD1-CG 4.33Å; L146-E148 HydrophobicContact CD2-CG 4.09Å; L146-E148 HydrophobicContact CG-CG 4.11Å; L146-K203 WeakPolarHBondContact O-CE 3.23Å; L146-K203 PolarHBondContact O-NZ 3.2Å
147	V	97.9	Very high	95.9	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	104.6	167	178.9	0	0	0	0	109	R126 H127 Y128 T129 A149 F204	R126-V147 HydrophobicContact CG-CG2 3.79Å; H127-V147 PolarHBondContact O-N 2.99Å; Y128-V147 WeakPolarHBondContact CA-O 3.43Å; Y128-V147 HydrophobicContact CD1-CB 3.64Å; Y128-V147 HydrophobicContact CD1-CG1 3.54Å; Y128-V147 HydrophobicContact CD1-CG2 4.2Å; Y128-V147 HydrophobicContact CE1-CB 3.88Å; Y128-V147 HydrophobicContact CE1-CG1 3.66Å; Y128-V147 HydrophobicContact CE1-CG2 3.96Å; Y128-V147 HydrophobicContact CG-CB 4.16Å; Y128-V147 HydrophobicContact CG-CG1 4.49Å; T129-V147 PolarHBondContact N-O 2.72Å; V147-A149 PolarHBondContact O-N 3.12Å; V147-F204 HydrophobicContact CG1-CB 4.26Å; V147-F204 HydrophobicContact CG1-CD2 4.09Å
148	E	96.8	Very high	96.1	Very high	18 Å²	18	31.8 Å²	31.8	8%	0.084	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	91.7	171.4	-66.5	161.5	122.7	0	0	108.9	T129 R137 L146 H150 G151 T152	T129-E148 HydrophobicContact CG2-CG 4.19Å; R137-E148 IonicContact CZ-OE1 2.77Å; R137-E148 IonicContact CZ-OE2 3.56Å; R137-E148 IonicContact NE-OE1 2.95Å; R137-E148 PolarHBondContact NE-OE1 2.82Å; R137-E148 VanDerWaalsContact NE-OE1 3.09Å; R137-E148 IonicContact NE-OE2 3.17Å; R137-E148 IonicContact NH2-OE1 3.79Å; R137-E148 IonicContact NH2-OE2 3.53Å; R137-E148 PolarHBondContact NH2-OE2 2.85Å; L146-E148 HydrophobicContact CD1-CG 4.33Å; L146-E148 HydrophobicContact CD2-CG 4.09Å; L146-E148 HydrophobicContact CG-CG 4.11Å; E148-H150 PolarHBondContact O-N 3.48Å; E148-G151 WeakPolarHBondContact CB-O 3.04Å; E148-G151 PolarHBondContact O-N 2.97Å; E148-T152 PolarHBondContact OE1-OG1 3.14Å
149	A	96.6	Very high	96.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-39.8	-173.1	0	0	0	0	0	112	T129 V147 G151 P201 F204 F230	T129-A149 VanDerWaalsContact O-CB 3.29Å; T129-A149 WeakPolarHBondContact O-CB 3.31Å; T129-A149 PolarHBondContact O-N 3.37Å; V147-A149 PolarHBondContact O-N 3.12Å; A149-G151 VanDerWaalsContact C-N 3.26Å; A149-G151 PolarHBondContact O-N 3.19Å; A149-P201 WeakPolarHBondContact O-CD 3.34Å; A149-F204 HydrophobicContact CB-CD2 3.56Å; A149-F204 HydrophobicContact CB-CE2 3.81Å; A149-F230 HydrophobicContact CB-CD2 3.46Å; A149-F230 VanDerWaalsContact CB-CD2 3.46Å; A149-F230 HydrophobicContact CB-CE2 3.71Å
150	H	94.7	Very high	96.1	Very high	32 Å²	32	40.3 Å²	40.3	15%	0.148	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	23.7	177.1	-62.7	166.8	0	0	0	113.1	Q130 V132 E148 V193 V194 M200	Q130-H150 WeakPolarHBondContact CB-ND1 3.41Å; Q130-H150 VanDerWaalsContact CG-CE1 3.46Å; Q130-H150 WeakPolarHBondContact CG-CE1 3.47Å; Q130-H150 WeakPolarHBondContact O-CB 3.43Å; Q130-H150 PolarHBondContact O-ND1 2.97Å; Q130-H150 VanDerWaalsContact O-ND1 3.14Å; V132-H150 HydrophobicContact CG1-CB 4.29Å; V132-H150 WeakPolarHBondContact CG1-O 3.21Å; E148-H150 PolarHBondContact O-N 3.48Å; H150-V193 CarbonylContact O-C 3.59Å; H150-V193 WeakPolarHBondContact O-CA 3.45Å; H150-V194 PolarHBondContact O-N 3.02Å; H150-M200 WeakPolarHBondContact CD2-CE 3.35Å
151	G	94.7	Very high	96.1	Very high	4 Å²	4	41.1 Å²	41.1	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.1	-157.7	174.2	0	0	0	0	0	113.3	V132 E148 A149 D192	V132-G151 WeakPolarHBondContact CG1-O 3.49Å; E148-G151 WeakPolarHBondContact CB-O 3.04Å; E148-G151 PolarHBondContact O-N 2.97Å; A149-G151 VanDerWaalsContact C-N 3.26Å; A149-G151 PolarHBondContact O-N 3.19Å; G151-D192 CarbonylContact C-O 3.45Å; G151-D192 WeakPolarHBondContact CA-O 3.42Å
152	T	93.3	Very high	96.1	Very high	15 Å²	15	46 Å²	46	9%	0.092	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	155.4	-169.2	-169.6	0	0	0	0	112.3	E148 H154 D192 V193	E148-T152 PolarHBondContact OE1-OG1 3.14Å; T152-H154 VanDerWaalsContact C-N 3.35Å; T152-H154 HydrophobicContact CG2-CB 4.05Å; T152-H154 WeakPolarHBondContact OG1-CB 3.29Å; T152-H154 PolarHBondContact OG1-N 2.89Å; T152-H154 VanDerWaalsContact OG1-N 3.11Å; T152-D192 HydrophobicContact CG2-CB 4.36Å; T152-D192 PolarHBondContact N-O 2.78Å; T152-D192 CarbonylContact O-C 3.48Å; T152-D192 WeakPolarHBondContact O-CA 3.27Å; T152-D192 PolarHBondContact O-N 2.99Å; T152-V193 PolarHBondContact O-N 3.28Å
153	F	91.9	Very high	96.1	Very high	46 Å²	46	48.7 Å²	48.7	20%	0.202	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-9.1	165.4	-82.1	-83.7	0	0	0	112.8	F94 A98 V132 T155 F167 M170 P191 V193	F94-F153 HydrophobicContact CZ-CE1 4.21Å; F94-F153 HydrophobicContact CZ-CZ 4.08Å; A98-F153 HydrophobicContact CB-CE1 3.97Å; A98-F153 HydrophobicContact CB-CZ 3.97Å; V132-F153 HydrophobicContact CB-CD2 4.09Å; V132-F153 HydrophobicContact CB-CE2 4.34Å; V132-F153 HydrophobicContact CG2-CD2 3.82Å; V132-F153 HydrophobicContact CG2-CE2 3.61Å; F153-T155 PolarHBondContact O-N 3.07Å; F153-F167 HydrophobicContact CB-CD2 4.41Å; F153-F167 HydrophobicContact CB-CE2 4.44Å; F153-F167 WeakPolarHBondContact O-CD2 3.49Å; F153-M170 WeakPolarHBondContact O-CE 3.46Å; F153-P191 HydrophobicContact CD1-CB 3.65Å; F153-P191 HydrophobicContact CD1-CG 3.82Å; F153-P191 HydrophobicContact CE1-CB 3.9Å; F153-P191 HydrophobicContact CE1-CG 3.76Å; F153-P191 HydrophobicContact CG-CB 4.43Å; F153-V193 HydrophobicContact CD1-CG1 4.45Å; F153-V193 HydrophobicContact CD2-CG1 3.69Å; F153-V193 HydrophobicContact CE1-CG1 4.39Å; F153-V193 HydrophobicContact CE2-CG1 3.63Å; F153-V193 HydrophobicContact CG-CG1 4.12Å; F153-V193 HydrophobicContact CZ-CG1 3.99Å
154	H	90.3	Very high	96.3	Very high	104 Å²	104	50.1 Å²	50.1	48%	0.481	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	-29.5	-173.3	-166.2	65.9	0	0	0	113.7	T152 F167	T152-H154 VanDerWaalsContact C-N 3.35Å; T152-H154 HydrophobicContact CG2-CB 4.05Å; T152-H154 WeakPolarHBondContact OG1-CB 3.29Å; T152-H154 PolarHBondContact OG1-N 2.89Å; T152-H154 VanDerWaalsContact OG1-N 3.11Å; H154-F167 WeakPolarHBondContact O-CB 3.39Å; H154-F167 PolarHBondContact O-N 3.1Å; H154-F167 VanDerWaalsContact O-N 3.1Å
155	T	94.9	Very high	96.3	Very high	31 Å²	31	45.5 Å²	45.5	19%	0.19	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	158.5	175.1	55.1	0	0	0	0	110	F153 D192	F153-T155 PolarHBondContact O-N 3.07Å; T155-D192 VanDerWaalsContact C-OD2 3.29Å; T155-D192 VanDerWaalsContact CB-OD2 3.26Å; T155-D192 WeakPolarHBondContact CB-OD2 3.33Å; T155-D192 WeakPolarHBondContact O-CB 3.4Å; T155-D192 PolarHBondContact O-N 2.79Å; T155-D192 PolarHBondContact OG1-OD2 3.29Å
156	G	97.1	Very high	96.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	158.6	171.5	0	0	0	0	0	111.8	Q164 H165 K190	G156-Q164 CarbonylContact O-C 3.49Å; G156-Q164 WeakPolarHBondContact O-CA 3.37Å; G156-H165 PolarHBondContact N-O 3.39Å; G156-H165 PolarHBondContact O-N 3.08Å; G156-K190 CarbonylContact C-O 3.55Å; G156-K190 WeakPolarHBondContact CA-O 3.36Å
157	H	97.9	Very high	96	Very high	42 Å²	42	50.4 Å²	50.4	19%	0.194	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.4	-177.8	-71.4	77	0	0	0	111.7	I159 N162 K163 K190 D192	H157-I159 PolarHBondContact O-N 3.41Å; H157-N162 PolarHBondContact CD2-O 2.94Å; H157-K163 WeakPolarHBondContact CA-O 3.16Å; H157-K190 PolarHBondContact N-O 2.95Å; H157-K190 PolarHBondContact O-N 3.17Å; H157-D192 IonicContact CE1-OD1 3.06Å; H157-D192 IonicContact CE1-OD2 2.8Å; H157-D192 PolarHBondContact CE1-OD2 2.95Å; H157-D192 IonicContact CG-OD1 3.11Å; H157-D192 PolarHBondContact N-OD1 2.69Å; H157-D192 IonicContact ND1-OD1 3.3Å; H157-D192 PolarHBondContact ND1-OD1 3.24Å; H157-D192 IonicContact ND1-OD2 3.48Å; H157-D192 PolarHBondContact ND1-OD2 3.45Å
158	C	98.3	Very high	95.8	Very high	2 Å²	2	54 Å²	54	1%	0.014	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	126.8	168.5	178.8	0	0	0	0	110.6	K160 N162 K163 C182 C185 V188 V189	C158-K160 PolarHBondContact O-N 3.46Å; C158-K160 PolarHBondContact SG-N 2.97Å; C158-N162 VanDerWaalsContact O-CA 3.29Å; C158-N162 WeakPolarHBondContact O-CA 3.47Å; C158-N162 PolarHBondContact O-N 2.67Å; C158-K163 PolarHBondContact N-O 2.86Å; C158-C182 HydrophobicContact CB-CB 3.68Å; C158-C182 VanDerWaalsContact CB-SG 3.59Å; C158-C182 WeakPolarHBondContact SG-CB 3.38Å; C158-C185 PolarHBondContact SG-SG 2.96Å; C158-V188 WeakPolarHBondContact CA-O 3.37Å; C158-V189 HydrophobicContact CB-CG2 4.42Å
159	I	96.2	Very high	95.8	Very high	85 Å²	85	55 Å²	55	44%	0.436	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.1	-178	66.7	171.9	0	0	0	114.2	F87 H157 V188 K190	F87-I159 HydrophobicContact CE1-CG2 4.22Å; H157-I159 PolarHBondContact O-N 3.41Å; I159-V188 HydrophobicContact CD1-CB 3.94Å; I159-V188 HydrophobicContact CD1-CG2 4.45Å; I159-V188 HydrophobicContact CG1-CB 4.27Å; I159-V188 PolarHBondContact N-O 3.39Å; I159-K190 HydrophobicContact CG2-CB 3.84Å
160	K	96.6	Very high	95.8	Very high	157 Å²	157	55.2 Å²	55.2	68%	0.683	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-51.4	-179.2	-171.5	175.3	-174.4	173.3	0	113.1	C158 N187	C158-K160 PolarHBondContact O-N 3.46Å; C158-K160 PolarHBondContact SG-N 2.97Å; K160-N187 HydrophobicContact CB-CB 3.88Å; K160-N187 VanDerWaalsContact CD-ND2 3.3Å; K160-N187 WeakPolarHBondContact CD-ND2 3.37Å
161	C	97.8	Very high	95.8	Very high	44 Å²	44	54.3 Å²	54.3	30%	0.297	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	0.7	-172.9	75.1	0	0	0	0	114.3	K163 C182	C161-K163 PolarHBondContact O-N 2.79Å; C161-C182 VanDerWaalsContact SG-SG 3.63Å
162	N	97.6	Very high	95.9	Very high	114 Å²	114	58.6 Å²	58.6	61%	0.61	29%	0.287	S	S	*	.			trans	55.1	23.8	179.8	-156.2	65	0	0	0	114.6	H157 C158 Q164	H157-N162 PolarHBondContact CD2-O 2.94Å; C158-N162 VanDerWaalsContact O-CA 3.29Å; C158-N162 WeakPolarHBondContact O-CA 3.47Å; C158-N162 PolarHBondContact O-N 2.67Å; N162-Q164 PolarHBondContact O-N 2.95Å
163	K	97.9	Very high	96.1	Very high	86 Å²	86	59.8 Å²	59.8	37%	0.374	29%	0.292	S	S	.	.			trans	-66.4	129.1	169.5	-180	171.6	178.3	177	0	108.5	H157 C158 C161 H165 K184	H157-K163 WeakPolarHBondContact CA-O 3.16Å; C158-K163 PolarHBondContact N-O 2.86Å; C161-K163 PolarHBondContact O-N 2.79Å; K163-H165 PolarHBondContact O-CD2 3.5Å; K163-H165 VanDerWaalsContact O-CD2 3.28Å; K163-K184 HydrophobicContact CD-CB 3.77Å
164	Q	98.1	Very high	96.3	Very high	117 Å²	117	58.1 Å²	58.1	55%	0.547	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	144.3	173.9	-170.4	-179.5	-43.5	0	0	110.8	G156 N162	G156-Q164 CarbonylContact O-C 3.49Å; G156-Q164 WeakPolarHBondContact O-CA 3.37Å; N162-Q164 PolarHBondContact O-N 2.95Å
165	H	98.1	Very high	96.5	Very high	10 Å²	10	57 Å²	57	5%	0.046	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.8	173.5	-70.1	-95.2	0	0	0	108.8	G156 K163 F169 L183 V189	G156-H165 PolarHBondContact N-O 3.39Å; G156-H165 PolarHBondContact O-N 3.08Å; K163-H165 PolarHBondContact O-CD2 3.5Å; K163-H165 VanDerWaalsContact O-CD2 3.28Å; H165-F169 HydrophobicContact CB-CD1 3.68Å; H165-F169 HydrophobicContact CB-CE1 4.17Å; H165-F169 AromaticContact CG-CD1 3.82Å; H165-F169 AromaticContact CG-CE1 3.88Å; H165-F169 AromaticContact ND1-CD1 3.45Å; H165-F169 WeakPolarHBondContact ND1-CD1 3.39Å; H165-F169 AromaticContact ND1-CE1 3.41Å; H165-F169 WeakPolarHBondContact ND1-CE1 3.46Å; H165-F169 AromaticContact ND1-CG 3.99Å; H165-F169 AromaticContact ND1-CZ 3.95Å; H165-L183 PolarHBondContact CE1-N 3.12Å; H165-V189 HydrophobicContact CB-CG1 3.84Å; H165-V189 VanDerWaalsContact CD2-CG2 3.44Å; H165-V189 WeakPolarHBondContact CD2-CG2 3.47Å
166	D	95.8	Very high	96.6	Very high	95 Å²	95	57.6 Å²	57.6	51%	0.508	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	168.3	179.7	57.8	36.9	0	0	0	112.4	E168 F169 M170	D166-E168 PolarHBondContact O-N 2.82Å; D166-E168 PolarHBondContact OD1-N 2.87Å; D166-F169 WeakPolarHBondContact OD1-CB 3.46Å; D166-F169 PolarHBondContact OD1-N 3.32Å; D166-M170 PolarHBondContact O-N 2.71Å
167	F	92.9	Very high	96.5	Very high	54 Å²	54	65.2 Å²	65.2	24%	0.237	32%	0.324	C	S	.	.	H	α-helix	trans	-53.7	-48.6	176.8	176.3	-109.2	0	0	0	112.8	Y102 F153 H154 F169 M170 L171	Y102-F167 HydrophobicContact CE2-CZ 4.03Å; F153-F167 HydrophobicContact CB-CD2 4.41Å; F153-F167 HydrophobicContact CB-CE2 4.44Å; F153-F167 WeakPolarHBondContact O-CD2 3.49Å; H154-F167 WeakPolarHBondContact O-CB 3.39Å; H154-F167 PolarHBondContact O-N 3.1Å; H154-F167 VanDerWaalsContact O-N 3.1Å; F167-F169 PolarHBondContact O-N 2.89Å; F167-M170 PolarHBondContact O-N 2.79Å; F167-L171 HydrophobicContact CE1-CB 4.48Å; F167-L171 HydrophobicContact CE1-CD2 3.72Å; F167-L171 HydrophobicContact CZ-CB 4.41Å; F167-L171 HydrophobicContact CZ-CD1 4.4Å; F167-L171 HydrophobicContact CZ-CD2 3.86Å; F167-L171 HydrophobicContact CZ-CG 4.44Å; F167-L171 VanDerWaalsContact O-CB 3.24Å; F167-L171 WeakPolarHBondContact O-CB 3.43Å; F167-L171 PolarHBondContact O-N 2.81Å
168	E	94	Very high	96.5	Very high	78 Å²	78	69.3 Å²	69.3	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-65.5	-40.8	-173.5	-65.2	-64.4	164.4	0	0	111.8	D166 M170 L171 N172 K328	D166-E168 PolarHBondContact O-N 2.82Å; D166-E168 PolarHBondContact OD1-N 2.87Å; E168-M170 PolarHBondContact O-N 3.45Å; E168-L171 PolarHBondContact O-N 2.66Å; E168-N172 WeakPolarHBondContact O-CB 3.46Å; E168-N172 PolarHBondContact O-N 3.46Å; E168-N172 PolarHBondContact O-ND2 3.42Å; E168-K328 IonicContact OE1-NZ 2.79Å; E168-K328 PolarHBondContact OE1-NZ 2.62Å; E168-K328 IonicContact OE2-NZ 3.83Å
169	F	96.8	Very high	96.5	Very high	40 Å²	40	70.7 Å²	70.7	18%	0.175	35%	0.346	C	S	.	.	H	α-helix	trans	-57.4	-50.5	172.1	166	-96.7	0	0	0	111.7	H165 D166 F167 E173 P180 Q181 L183 V189	H165-F169 HydrophobicContact CB-CD1 3.68Å; H165-F169 HydrophobicContact CB-CE1 4.17Å; H165-F169 AromaticContact CG-CD1 3.82Å; H165-F169 AromaticContact CG-CE1 3.88Å; H165-F169 AromaticContact ND1-CD1 3.45Å; H165-F169 WeakPolarHBondContact ND1-CD1 3.39Å; H165-F169 AromaticContact ND1-CE1 3.41Å; H165-F169 WeakPolarHBondContact ND1-CE1 3.46Å; H165-F169 AromaticContact ND1-CG 3.99Å; H165-F169 AromaticContact ND1-CZ 3.95Å; D166-F169 WeakPolarHBondContact OD1-CB 3.46Å; D166-F169 PolarHBondContact OD1-N 3.32Å; F167-F169 PolarHBondContact O-N 2.89Å; F169-E173 HydrophobicContact CE2-CG 4.18Å; F169-E173 HydrophobicContact CZ-CG 4.19Å; F169-E173 PolarHBondContact O-N 2.8Å; F169-P180 HydrophobicContact CE1-CB 4.02Å; F169-Q181 VanDerWaalsContact CZ-O 3.27Å; F169-Q181 WeakPolarHBondContact CZ-O 3.27Å; F169-L183 HydrophobicContact CE2-CD2 3.98Å; F169-L183 HydrophobicContact CE2-CG 4.17Å; F169-V189 HydrophobicContact CE1-CB 4.44Å; F169-V189 HydrophobicContact CE1-CG2 4.22Å
170	M	96.8	Very high	96.5	Very high	3 Å²	3	66.7 Å²	66.7	2%	0.015	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-44.3	-178	-67.1	-173.2	-68	0	0	111.2	F153 D166 F167 E168 N172 E173 I174 V189 P191	F153-M170 WeakPolarHBondContact O-CE 3.46Å; D166-M170 PolarHBondContact O-N 2.71Å; F167-M170 PolarHBondContact O-N 2.79Å; E168-M170 PolarHBondContact O-N 3.45Å; M170-N172 PolarHBondContact O-N 2.9Å; M170-E173 PolarHBondContact O-N 3.19Å; M170-I174 HydrophobicContact CB-CD1 4.41Å; M170-I174 WeakPolarHBondContact O-CB 3.29Å; M170-I174 WeakPolarHBondContact O-CD1 3.28Å; M170-I174 WeakPolarHBondContact O-CG1 3.19Å; M170-I174 PolarHBondContact O-N 3.41Å; M170-V189 HydrophobicContact CG-CG1 4.19Å; M170-V189 HydrophobicContact SD-CG1 4.04Å; M170-P191 HydrophobicContact SD-CB 4.15Å; M170-P191 HydrophobicContact SD-CG 3.95Å
171	L	94.7	Very high	96.6	Very high	14 Å²	14	62.8 Å²	62.8	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-58.9	-47.6	-180	179.9	66.2	0	0	0	111	Y102 F167 E168 E173 I174 L175	Y102-L171 HydrophobicContact CD1-CD1 3.95Å; Y102-L171 HydrophobicContact CD2-CD1 3.96Å; Y102-L171 HydrophobicContact CE1-CD1 3.67Å; Y102-L171 HydrophobicContact CE1-CD2 4.23Å; Y102-L171 HydrophobicContact CE1-CG 4.5Å; Y102-L171 HydrophobicContact CE2-CD1 3.71Å; Y102-L171 HydrophobicContact CE2-CD2 4.38Å; Y102-L171 HydrophobicContact CG-CD1 4.08Å; Y102-L171 VanDerWaalsContact OH-CD2 3.27Å; Y102-L171 WeakPolarHBondContact OH-CD2 3.42Å; F167-L171 HydrophobicContact CE1-CB 4.48Å; F167-L171 HydrophobicContact CE1-CD2 3.72Å; F167-L171 HydrophobicContact CZ-CB 4.41Å; F167-L171 HydrophobicContact CZ-CD1 4.4Å; F167-L171 HydrophobicContact CZ-CD2 3.86Å; F167-L171 HydrophobicContact CZ-CG 4.44Å; F167-L171 VanDerWaalsContact O-CB 3.24Å; F167-L171 WeakPolarHBondContact O-CB 3.43Å; F167-L171 PolarHBondContact O-N 2.81Å; E168-L171 PolarHBondContact O-N 2.66Å; L171-E173 VanDerWaalsContact C-N 3.34Å; L171-E173 PolarHBondContact O-N 2.93Å; L171-I174 PolarHBondContact O-N 3.26Å; L171-L175 HydrophobicContact CD1-CD1 3.92Å; L171-L175 HydrophobicContact CD1-CD2 4.37Å; L171-L175 HydrophobicContact CD1-CG 3.87Å; L171-L175 HydrophobicContact CD2-CD1 4.39Å; L171-L175 HydrophobicContact CG-CD1 3.85Å; L171-L175 HydrophobicContact CG-CG 4.16Å; L171-L175 WeakPolarHBondContact O-CB 3.43Å; L171-L175 VanDerWaalsContact O-CG 3.31Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 2.79Å
172	N	96.2	Very high	96.7	Very high	93 Å²	93	60.7 Å²	60.7	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-59	-43.4	179.2	-76.3	-33.5	0	0	0	112.4	E168 M170 A176	E168-N172 WeakPolarHBondContact O-CB 3.46Å; E168-N172 PolarHBondContact O-N 3.46Å; E168-N172 PolarHBondContact O-ND2 3.42Å; M170-N172 PolarHBondContact O-N 2.9Å; N172-A176 VanDerWaalsContact O-CB 3.27Å; N172-A176 WeakPolarHBondContact O-CB 2.9Å; N172-A176 PolarHBondContact O-N 3.06Å; N172-A176 VanDerWaalsContact O-N 3.1Å
173	E	97.9	Very high	96.6	Very high	40 Å²	40	60.6 Å²	60.6	19%	0.187	29%	0.294	C	S	.	.	H	α-helix	trans	-66.1	-45.1	176.2	-70.8	-61.5	109.4	0	0	111.9	F169 M170 L171 A176 K177 R178 P180	F169-E173 HydrophobicContact CE2-CG 4.18Å; F169-E173 HydrophobicContact CZ-CG 4.19Å; F169-E173 PolarHBondContact O-N 2.8Å; M170-E173 PolarHBondContact O-N 3.19Å; L171-E173 VanDerWaalsContact C-N 3.34Å; L171-E173 PolarHBondContact O-N 2.93Å; E173-A176 CarbonylContact O-C 3.56Å; E173-A176 PolarHBondContact O-N 3.29Å; E173-K177 PolarHBondContact O-N 3.33Å; E173-R178 CarbonylContact C-O 3.53Å; E173-R178 HydrophobicContact CB-CB 4.49Å; E173-R178 WeakPolarHBondContact O-CA 3.4Å; E173-R178 PolarHBondContact O-N 3.15Å; E173-R178 IonicContact OE1-CZ 3.41Å; E173-R178 IonicContact OE1-NE 3.25Å; E173-R178 PolarHBondContact OE1-NE 3.5Å; E173-R178 IonicContact OE1-NH2 2.73Å; E173-R178 PolarHBondContact OE1-NH2 2.8Å; E173-R178 WeakPolarHBondContact OE2-CB 3.31Å; E173-R178 IonicContact OE2-CZ 3.83Å; E173-R178 IonicContact OE2-NE 2.9Å; E173-R178 PolarHBondContact OE2-NE 3.29Å; E173-R178 IonicContact OE2-NH2 3.87Å; E173-P180 HydrophobicContact CB-CB 4.16Å; E173-P180 HydrophobicContact CB-CG 3.88Å; E173-P180 HydrophobicContact CG-CB 4.5Å
174	I	95.7	Very high	96.6	Very high	11 Å²	11	64 Å²	64	6%	0.056	31%	0.309	C	S	.	.	H	α-helix	trans	-63.3	-46.1	-179.7	-69	167	0	0	0	111.1	F95 R99 M170 L171 A176 K177 P180	F95-I174 HydrophobicContact CD1-CD1 3.69Å; F95-I174 HydrophobicContact CD1-CG1 3.63Å; F95-I174 HydrophobicContact CE1-CD1 4.01Å; F95-I174 HydrophobicContact CE1-CG1 4.23Å; F95-I174 HydrophobicContact CG-CG1 4.42Å; R99-I174 HydrophobicContact CB-CG2 3.65Å; R99-I174 VanDerWaalsContact CD-O 3.3Å; R99-I174 WeakPolarHBondContact CD-O 3.31Å; R99-I174 HydrophobicContact CG-CG2 4.17Å; M170-I174 HydrophobicContact CB-CD1 4.41Å; M170-I174 WeakPolarHBondContact O-CB 3.29Å; M170-I174 WeakPolarHBondContact O-CD1 3.28Å; M170-I174 WeakPolarHBondContact O-CG1 3.19Å; M170-I174 PolarHBondContact O-N 3.41Å; L171-I174 PolarHBondContact O-N 3.26Å; I174-A176 VanDerWaalsContact C-N 3.26Å; I174-A176 PolarHBondContact O-N 3.08Å; I174-K177 WeakPolarHBondContact O-CA 3.32Å; I174-K177 PolarHBondContact O-N 2.71Å; I174-P180 HydrophobicContact CD1-CG 4.38Å; I174-P180 HydrophobicContact CG1-CG 3.91Å
175	L	94.9	Very high	96.6	Very high	82 Å²	82	60.4 Å²	60.4	43%	0.429	30%	0.296	S	S	.	.	H	α-helix	trans	-63.7	-34.5	177.4	-70.6	-177.5	0	0	0	111.9	R99 Y102 L171 K177	R99-L175 HydrophobicContact CG-CD2 4.35Å; Y102-L175 HydrophobicContact CD1-CD2 3.88Å; Y102-L175 HydrophobicContact CE1-CD1 4.32Å; Y102-L175 HydrophobicContact CE1-CD2 4.38Å; L171-L175 HydrophobicContact CD1-CD1 3.92Å; L171-L175 HydrophobicContact CD1-CD2 4.37Å; L171-L175 HydrophobicContact CD1-CG 3.87Å; L171-L175 HydrophobicContact CD2-CD1 4.39Å; L171-L175 HydrophobicContact CG-CD1 3.85Å; L171-L175 HydrophobicContact CG-CG 4.16Å; L171-L175 WeakPolarHBondContact O-CB 3.43Å; L171-L175 VanDerWaalsContact O-CG 3.31Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 2.79Å; L175-K177 PolarHBondContact O-N 3.47Å
176	A	97	Very high	96.5	Very high	43 Å²	43	67.8 Å²	67.8	36%	0.355	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	12.1	173.5	0	0	0	0	0	114	N172 E173 I174 R178	N172-A176 VanDerWaalsContact O-CB 3.27Å; N172-A176 WeakPolarHBondContact O-CB 2.9Å; N172-A176 PolarHBondContact O-N 3.06Å; N172-A176 VanDerWaalsContact O-N 3.1Å; E173-A176 CarbonylContact O-C 3.56Å; E173-A176 PolarHBondContact O-N 3.29Å; I174-A176 VanDerWaalsContact C-N 3.26Å; I174-A176 PolarHBondContact O-N 3.08Å; A176-R178 VanDerWaalsContact CB-CZ 3.46Å; A176-R178 VanDerWaalsContact CB-NH1 3.27Å; A176-R178 PolarHBondContact O-N 3.21Å
177	K	95.3	Very high	96.6	Very high	160 Å²	160	65.9 Å²	65.9	70%	0.696	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	31.3	-178.8	-57	-178	179.1	-178.7	0	113.2	E173 I174 L175	E173-K177 PolarHBondContact O-N 3.33Å; I174-K177 WeakPolarHBondContact O-CA 3.32Å; I174-K177 PolarHBondContact O-N 2.71Å; L175-K177 PolarHBondContact O-N 3.47Å
178	R	97.4	Very high	96.9	Very high	127 Å²	127	64.8 Å²	64.8	48%	0.479	31%	0.311	S	S	.	.			trans	-107.6	151.8	175	-66.1	-169.6	-64.5	-88.4	-0.2	110.6	E173 A176 P180	E173-R178 CarbonylContact C-O 3.53Å; E173-R178 HydrophobicContact CB-CB 4.49Å; E173-R178 WeakPolarHBondContact O-CA 3.4Å; E173-R178 PolarHBondContact O-N 3.15Å; E173-R178 IonicContact OE1-CZ 3.41Å; E173-R178 IonicContact OE1-NE 3.25Å; E173-R178 PolarHBondContact OE1-NE 3.5Å; E173-R178 IonicContact OE1-NH2 2.73Å; E173-R178 PolarHBondContact OE1-NH2 2.8Å; E173-R178 WeakPolarHBondContact OE2-CB 3.31Å; E173-R178 IonicContact OE2-CZ 3.83Å; E173-R178 IonicContact OE2-NE 2.9Å; E173-R178 PolarHBondContact OE2-NE 3.29Å; E173-R178 IonicContact OE2-NH2 3.87Å; A176-R178 VanDerWaalsContact CB-CZ 3.46Å; A176-R178 VanDerWaalsContact CB-NH1 3.27Å; A176-R178 PolarHBondContact O-N 3.21Å; R178-P180 WeakPolarHBondContact O-CD 3.37Å
179	V	97.7	Very high	97.1	Very high	32 Å²	32	61 Å²	61	19%	0.194	29%	0.294	C	S	.	.			trans	-78.2	121	167.5	173.8	0	0	0	0	107.7	P91 R92 F95 Q181 V188	P91-V179 HydrophobicContact CG-CG1 4.07Å; P91-V179 HydrophobicContact CG-CG2 4.38Å; R92-V179 HydrophobicContact CG-CG2 3.72Å; F95-V179 HydrophobicContact CD2-CB 4.37Å; F95-V179 HydrophobicContact CD2-CG1 4.07Å; F95-V179 HydrophobicContact CD2-CG2 4.08Å; F95-V179 HydrophobicContact CE2-CG1 3.77Å; V179-Q181 WeakPolarHBondContact O-CG 3.09Å; V179-Q181 PolarHBondContact O-N 3.47Å; V179-V188 HydrophobicContact CG1-CB 4.43Å; V179-V188 HydrophobicContact CG1-CG1 3.84Å; V179-V188 HydrophobicContact CG1-CG2 3.99Å
180	P	98.2	Very high	97.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.289	C	S	.	.			trans	-53.8	123.4	176.9	-26.5	34.3	0	0	0	112	F95 F169 E173 I174 R178 V189	F95-P180 HydrophobicContact CD1-CG 4.37Å; F95-P180 HydrophobicContact CE1-CG 3.9Å; F95-P180 HydrophobicContact CZ-CG 4.11Å; F169-P180 HydrophobicContact CE1-CB 4.02Å; E173-P180 HydrophobicContact CB-CB 4.16Å; E173-P180 HydrophobicContact CB-CG 3.88Å; E173-P180 HydrophobicContact CG-CB 4.5Å; I174-P180 HydrophobicContact CD1-CG 4.38Å; I174-P180 HydrophobicContact CG1-CG 3.91Å; R178-P180 WeakPolarHBondContact O-CD 3.37Å; P180-V189 HydrophobicContact CB-CB 4.01Å; P180-V189 PolarHBondContact O-N 3.23Å
181	Q	98.2	Very high	97.2	Very high	76 Å²	76	59.8 Å²	59.8	36%	0.355	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-111.4	133.4	-179.7	-68.2	-170.3	-3.6	0	0	112.1	F169 V179 L183 R186	F169-Q181 VanDerWaalsContact CZ-O 3.27Å; F169-Q181 WeakPolarHBondContact CZ-O 3.27Å; V179-Q181 WeakPolarHBondContact O-CG 3.09Å; V179-Q181 PolarHBondContact O-N 3.47Å; Q181-L183 PolarHBondContact O-N 3.21Å; Q181-R186 VanDerWaalsContact OE1-CZ 3.25Å
182	C	98.5	Very high	97.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.296	C	S	.	.			trans	-61.1	124.1	-176.8	179.4	0	0	0	0	111.3	C158 C161 K184 C185 R186 N187 V189	C158-C182 HydrophobicContact CB-CB 3.68Å; C158-C182 VanDerWaalsContact CB-SG 3.59Å; C158-C182 WeakPolarHBondContact SG-CB 3.38Å; C161-C182 VanDerWaalsContact SG-SG 3.63Å; C182-K184 PolarHBondContact O-N 3.16Å; C182-K184 PolarHBondContact SG-N 2.64Å; C182-K184 VanDerWaalsContact SG-N 3.39Å; C182-C185 PolarHBondContact O-N 3.39Å; C182-R186 VanDerWaalsContact O-CA 3.29Å; C182-R186 WeakPolarHBondContact O-CA 3.13Å; C182-R186 PolarHBondContact O-N 2.8Å; C182-N187 VanDerWaalsContact CB-O 3.22Å; C182-N187 WeakPolarHBondContact CB-O 3.07Å; C182-N187 PolarHBondContact N-O 3.03Å; C182-V189 HydrophobicContact CB-CG2 3.84Å
183	L	96.1	Very high	97.2	Very high	112 Å²	112	57.3 Å²	57.3	59%	0.586	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.2	177.4	-62.1	174.1	0	0	0	113.8	H165 F169 Q181	H165-L183 PolarHBondContact CE1-N 3.12Å; F169-L183 HydrophobicContact CE2-CD2 3.98Å; F169-L183 HydrophobicContact CE2-CG 4.17Å; Q181-L183 PolarHBondContact O-N 3.21Å
184	K	97.5	Very high	97	Very high	157 Å²	157	56.8 Å²	56.8	68%	0.683	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-40.5	178.4	-178.5	177.4	179	179.8	0	113.7	K163 C182	K163-K184 HydrophobicContact CD-CB 3.77Å; C182-K184 PolarHBondContact O-N 3.16Å; C182-K184 PolarHBondContact SG-N 2.64Å; C182-K184 VanDerWaalsContact SG-N 3.39Å
185	C	98	Very high	97	Very high	42 Å²	42	56.6 Å²	56.6	28%	0.284	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	8.2	-168.7	74.3	0	0	0	0	114.8	C158 C182 N187	C158-C185 PolarHBondContact SG-SG 2.96Å; C182-C185 PolarHBondContact O-N 3.39Å; C185-N187 PolarHBondContact O-N 3.36Å; C185-N187 PolarHBondContact O-ND2 3.31Å
186	R	97.5	Very high	96.8	Very high	164 Å²	164	56.8 Å²	56.8	62%	0.619	27%	0.271	S	S	*	.			trans	58.1	5.4	178.3	-54.8	-57.3	-58.9	-155.5	-2.9	116.5	Q181 C182	Q181-R186 VanDerWaalsContact OE1-CZ 3.25Å; C182-R186 VanDerWaalsContact O-CA 3.29Å; C182-R186 WeakPolarHBondContact O-CA 3.13Å; C182-R186 PolarHBondContact O-N 2.8Å
187	N	98.2	Very high	96.5	Very high	55 Å²	55	58.4 Å²	58.4	29%	0.294	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-75.7	162.2	171.7	-75.8	-98.1	0	0	0	110.9	K160 C182 C185 V189	K160-N187 HydrophobicContact CB-CB 3.88Å; K160-N187 VanDerWaalsContact CD-ND2 3.3Å; K160-N187 WeakPolarHBondContact CD-ND2 3.37Å; C182-N187 VanDerWaalsContact CB-O 3.22Å; C182-N187 WeakPolarHBondContact CB-O 3.07Å; C182-N187 PolarHBondContact N-O 3.03Å; C185-N187 PolarHBondContact O-N 3.36Å; C185-N187 PolarHBondContact O-ND2 3.31Å; N187-V189 PolarHBondContact O-N 2.89Å
188	V	98.3	Very high	96.4	Very high	31 Å²	31	53.5 Å²	53.5	19%	0.188	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-57.6	137.2	-177.8	-177.9	0	0	0	0	111.4	F87 P91 F95 C158 I159 V179	F87-V188 HydrophobicContact CE1-CG1 3.94Å; F87-V188 HydrophobicContact CZ-CG1 3.79Å; P91-V188 HydrophobicContact CB-CG1 4.29Å; P91-V188 HydrophobicContact CG-CG1 4.3Å; P91-V188 HydrophobicContact CG-CG2 4.13Å; F95-V188 HydrophobicContact CE2-CG1 4.1Å; F95-V188 HydrophobicContact CZ-CG1 4.43Å; C158-V188 WeakPolarHBondContact CA-O 3.37Å; I159-V188 HydrophobicContact CD1-CB 3.94Å; I159-V188 HydrophobicContact CD1-CG2 4.45Å; I159-V188 HydrophobicContact CG1-CB 4.27Å; I159-V188 PolarHBondContact N-O 3.39Å; V179-V188 HydrophobicContact CG1-CB 4.43Å; V179-V188 HydrophobicContact CG1-CG1 3.84Å; V179-V188 HydrophobicContact CG1-CG2 3.99Å
189	V	98.5	Very high	96.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.7	166.9	175.4	0	0	0	0	107.6	F95 C158 H165 F169 M170 P180 C182 N187	F95-V189 WeakPolarHBondContact CZ-O 3.47Å; C158-V189 HydrophobicContact CB-CG2 4.42Å; H165-V189 HydrophobicContact CB-CG1 3.84Å; H165-V189 VanDerWaalsContact CD2-CG2 3.44Å; H165-V189 WeakPolarHBondContact CD2-CG2 3.47Å; F169-V189 HydrophobicContact CE1-CB 4.44Å; F169-V189 HydrophobicContact CE1-CG2 4.22Å; M170-V189 HydrophobicContact CG-CG1 4.19Å; M170-V189 HydrophobicContact SD-CG1 4.04Å; P180-V189 HydrophobicContact CB-CB 4.01Å; P180-V189 PolarHBondContact O-N 3.23Å; C182-V189 HydrophobicContact CB-CG2 3.84Å; N187-V189 PolarHBondContact O-N 2.89Å
190	K	97.9	Very high	95.9	Very high	16 Å²	16	52.1 Å²	52.1	7%	0.07	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.1	177.4	-176.6	-177.9	160	-80.9	0	108.4	I84 F87 G156 H157 I159 V193 L195 E198	I84-K190 HydrophobicContact CD1-CD 4.08Å; F87-K190 HydrophobicContact CD1-CD 3.99Å; F87-K190 HydrophobicContact CD1-CG 4.36Å; F87-K190 HydrophobicContact CE1-CB 3.71Å; F87-K190 HydrophobicContact CE1-CD 3.82Å; F87-K190 HydrophobicContact CE1-CG 3.74Å; F87-K190 HydrophobicContact CE2-CG 4.09Å; F87-K190 HydrophobicContact CG-CD 4.46Å; F87-K190 HydrophobicContact CZ-CB 3.66Å; F87-K190 HydrophobicContact CZ-CD 4.14Å; F87-K190 HydrophobicContact CZ-CG 3.59Å; G156-K190 CarbonylContact C-O 3.55Å; G156-K190 WeakPolarHBondContact CA-O 3.36Å; H157-K190 PolarHBondContact N-O 2.95Å; H157-K190 PolarHBondContact O-N 3.17Å; I159-K190 HydrophobicContact CG2-CB 3.84Å; K190-V193 PolarHBondContact NZ-O 2.8Å; K190-L195 HydrophobicContact CD-CD1 4.28Å; K190-L195 VanDerWaalsContact CE-CD1 3.4Å; K190-E198 WeakPolarHBondContact CE-OE1 3.19Å; K190-E198 VanDerWaalsContact CE-OE2 3.23Å; K190-E198 WeakPolarHBondContact CE-OE2 3.22Å; K190-E198 VanDerWaalsContact NZ-CD 3.29Å; K190-E198 IonicContact NZ-OE1 2.71Å; K190-E198 PolarHBondContact NZ-OE1 3.35Å; K190-E198 IonicContact NZ-OE2 3.41Å; K190-E198 PolarHBondContact NZ-OE2 3.21Å
191	P	96.9	Very high	95.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	148.3	167.8	-23	33.4	0	0	0	110.7	F94 F95 F153 M170 V193	F94-P191 HydrophobicContact CE1-CG 4.08Å; F94-P191 HydrophobicContact CZ-CG 4.44Å; F95-P191 HydrophobicContact CE1-CG 4.04Å; F153-P191 HydrophobicContact CD1-CB 3.65Å; F153-P191 HydrophobicContact CD1-CG 3.82Å; F153-P191 HydrophobicContact CE1-CB 3.9Å; F153-P191 HydrophobicContact CE1-CG 3.76Å; F153-P191 HydrophobicContact CG-CB 4.43Å; M170-P191 HydrophobicContact SD-CB 4.15Å; M170-P191 HydrophobicContact SD-CG 3.95Å; P191-V193 HydrophobicContact CB-CG1 4.34Å; P191-V193 HydrophobicContact CB-CG2 4.4Å; P191-V193 PolarHBondContact O-N 3.31Å
192	D	96.3	Very high	95.6	Very high	46 Å²	46	59.6 Å²	59.6	25%	0.246	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	30.5	-178.5	-65.4	-30.3	0	0	0	112.9	G151 T152 T155 H157	G151-D192 CarbonylContact C-O 3.45Å; G151-D192 WeakPolarHBondContact CA-O 3.42Å; T152-D192 HydrophobicContact CG2-CB 4.36Å; T152-D192 PolarHBondContact N-O 2.78Å; T152-D192 CarbonylContact O-C 3.48Å; T152-D192 WeakPolarHBondContact O-CA 3.27Å; T152-D192 PolarHBondContact O-N 2.99Å; T155-D192 VanDerWaalsContact C-OD2 3.29Å; T155-D192 VanDerWaalsContact CB-OD2 3.26Å; T155-D192 WeakPolarHBondContact CB-OD2 3.33Å; T155-D192 WeakPolarHBondContact O-CB 3.4Å; T155-D192 PolarHBondContact O-N 2.79Å; T155-D192 PolarHBondContact OG1-OD2 3.29Å; H157-D192 IonicContact CE1-OD1 3.06Å; H157-D192 IonicContact CE1-OD2 2.8Å; H157-D192 PolarHBondContact CE1-OD2 2.95Å; H157-D192 IonicContact CG-OD1 3.11Å; H157-D192 PolarHBondContact N-OD1 2.69Å; H157-D192 IonicContact ND1-OD1 3.3Å; H157-D192 PolarHBondContact ND1-OD1 3.24Å; H157-D192 IonicContact ND1-OD2 3.48Å; H157-D192 PolarHBondContact ND1-OD2 3.45Å
193	V	95.5	Very high	95.3	Very high	10 Å²	10	62.9 Å²	62.9	6%	0.061	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	145.5	165.7	-58.1	0	0	0	0	109.7	F94 V132 H150 T152 F153 K190 P191 L195	F94-V193 HydrophobicContact CE2-CG2 3.96Å; F94-V193 HydrophobicContact CZ-CG2 3.65Å; V132-V193 HydrophobicContact CB-CG1 4.2Å; V132-V193 HydrophobicContact CG1-CG1 4.12Å; V132-V193 HydrophobicContact CG2-CG1 4.29Å; H150-V193 CarbonylContact O-C 3.59Å; H150-V193 WeakPolarHBondContact O-CA 3.45Å; T152-V193 PolarHBondContact O-N 3.28Å; F153-V193 HydrophobicContact CD1-CG1 4.45Å; F153-V193 HydrophobicContact CD2-CG1 3.69Å; F153-V193 HydrophobicContact CE1-CG1 4.39Å; F153-V193 HydrophobicContact CE2-CG1 3.63Å; F153-V193 HydrophobicContact CG-CG1 4.12Å; F153-V193 HydrophobicContact CZ-CG1 3.99Å; K190-V193 PolarHBondContact NZ-O 2.8Å; P191-V193 HydrophobicContact CB-CG1 4.34Å; P191-V193 HydrophobicContact CB-CG2 4.4Å; P191-V193 PolarHBondContact O-N 3.31Å; V193-L195 HydrophobicContact CG2-CD2 4.17Å
194	V	94.7	Very high	95.3	Very high	29 Å²	29	57.6 Å²	57.6	18%	0.176	30%	0.303	C	S	.	.			trans	-87.3	115.6	177.6	-178.1	0	0	0	0	109	H150 E198 M200 P201	H150-V194 PolarHBondContact O-N 3.02Å; V194-E198 HydrophobicContact CG1-CB 4.04Å; V194-M200 HydrophobicContact CB-SD 4.25Å; V194-M200 HydrophobicContact CG1-CE 4.02Å; V194-M200 HydrophobicContact CG1-SD 3.85Å; V194-M200 HydrophobicContact CG2-SD 4.11Å; V194-P201 HydrophobicContact CG2-CG 4.15Å
195	L	93.9	Very high	95.2	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.037	28%	0.284	C	S	.	.			trans	-87.2	156	168.8	-58.8	-174.3	0	0	0	110	F82 I84 F87 F94 K190 V193 G197 E198	F82-L195 HydrophobicContact CB-CD2 4.48Å; F82-L195 CarbonylContact O-C 3.5Å; F82-L195 WeakPolarHBondContact O-CA 3.34Å; F82-L195 WeakPolarHBondContact O-CB 3.44Å; I84-L195 HydrophobicContact CB-CB 4.42Å; I84-L195 HydrophobicContact CD1-CD1 4.46Å; F87-L195 HydrophobicContact CB-CD1 3.6Å; F87-L195 HydrophobicContact CD2-CD1 3.96Å; F87-L195 HydrophobicContact CG-CD1 3.83Å; F94-L195 HydrophobicContact CD2-CD2 4.07Å; F94-L195 HydrophobicContact CE2-CD2 3.77Å; K190-L195 HydrophobicContact CD-CD1 4.28Å; K190-L195 VanDerWaalsContact CE-CD1 3.4Å; V193-L195 HydrophobicContact CG2-CD2 4.17Å; L195-G197 PolarHBondContact O-N 2.88Å; L195-E198 WeakPolarHBondContact CB-OE2 3.47Å; L195-E198 PolarHBondContact N-OE2 2.76Å; L195-E198 WeakPolarHBondContact O-CB 3.35Å; L195-E198 PolarHBondContact O-N 3.45Å
196	F	91	Very high	95	Very high	86 Å²	86	59 Å²	59	38%	0.377	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-55.2	130.1	170.9	-70.1	-71.5	0	0	0	110.2	N79 F82 T83 I84	N79-F196 HydrophobicContact CB-CD2 4.43Å; N79-F196 HydrophobicContact CB-CE2 4.07Å; F82-F196 HydrophobicContact CB-CD2 4.13Å; F82-F196 HydrophobicContact CB-CE2 4.39Å; F82-F196 WeakPolarHBondContact O-CD2 3.15Å; F82-F196 PolarHBondContact O-N 3.15Å; T83-F196 WeakPolarHBondContact CA-O 3.37Å; T83-F196 HydrophobicContact CG2-CB 4.01Å; I84-F196 PolarHBondContact N-O 3.34Å
197	G	90.9	Very high	94.8	Very high	77 Å²	77	53.7 Å²	53.7	79%	0.794	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.6	-7.8	-172.9	0	0	0	0	0	114.4	L195	L195-G197 PolarHBondContact O-N 2.88Å
198	E	93.3	Very high	94.7	Very high	56 Å²	56	51.4 Å²	51.4	26%	0.262	28%	0.276	S	S	.	.	S	Bend	trans	-96.7	159.5	172.2	-63.2	-179.4	124.9	0	0	112.1	I84 K190 V194 L195	I84-E198 HydrophobicContact CB-CG 3.89Å; I84-E198 HydrophobicContact CD1-CG 4.29Å; I84-E198 HydrophobicContact CG1-CG 3.98Å; I84-E198 HydrophobicContact CG2-CG 4.34Å; K190-E198 WeakPolarHBondContact CE-OE1 3.19Å; K190-E198 VanDerWaalsContact CE-OE2 3.23Å; K190-E198 WeakPolarHBondContact CE-OE2 3.22Å; K190-E198 VanDerWaalsContact NZ-CD 3.29Å; K190-E198 IonicContact NZ-OE1 2.71Å; K190-E198 PolarHBondContact NZ-OE1 3.35Å; K190-E198 IonicContact NZ-OE2 3.41Å; K190-E198 PolarHBondContact NZ-OE2 3.21Å; V194-E198 HydrophobicContact CG1-CB 4.04Å; L195-E198 WeakPolarHBondContact CB-OE2 3.47Å; L195-E198 PolarHBondContact N-OE2 2.76Å; L195-E198 WeakPolarHBondContact O-CB 3.35Å; L195-E198 PolarHBondContact O-N 3.45Å
199	S	92.5	Very high	94.5	Very high	109 Å²	109	53.5 Å²	53.5	76%	0.762	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-81.6	144.7	171.8	-64.1	0	0	0	0	111
200	M	93	Very high	94.4	Very high	22 Å²	22	56.5 Å²	56.5	11%	0.108	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-60.7	152.7	171.9	-61.5	-60.3	164.1	0	0	111.1	H150 V194 F204 F205 P229	H150-M200 WeakPolarHBondContact CD2-CE 3.35Å; V194-M200 HydrophobicContact CB-SD 4.25Å; V194-M200 HydrophobicContact CG1-CE 4.02Å; V194-M200 HydrophobicContact CG1-SD 3.85Å; V194-M200 HydrophobicContact CG2-SD 4.11Å; M200-F204 HydrophobicContact CB-CB 4.14Å; M200-F204 HydrophobicContact CB-CD1 3.95Å; M200-F204 HydrophobicContact CB-CG 4.13Å; M200-F204 HydrophobicContact CG-CD1 4.37Å; M200-F205 HydrophobicContact CB-CE2 3.77Å; M200-F205 HydrophobicContact CB-CZ 4.06Å; M200-P229 HydrophobicContact CG-CG 3.78Å
201	P	94	Very high	94.4	Very high	41 Å²	41	56 Å²	56	27%	0.266	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-59.1	148.4	-177.7	-22.1	34.3	0	0	0	111.2	A149 V194 K203 F204	A149-P201 WeakPolarHBondContact O-CD 3.34Å; V194-P201 HydrophobicContact CG2-CG 4.15Å; P201-K203 PolarHBondContact O-N 3.37Å; P201-F204 WeakPolarHBondContact O-CB 3.4Å; P201-F204 PolarHBondContact O-N 3.39Å
202	K	94.5	Very high	94.3	Very high	192 Å²	192	56 Å²	56	84%	0.835	31%	0.311	S	S	*	.	H	α-helix	trans	-53.1	-33.1	177.6	-66.6	-177.8	-179.2	177.8	0	112.7	F204 F205 K206	K202-F204 PolarHBondContact O-N 2.68Å; K202-F205 PolarHBondContact O-N 2.88Å; K202-K206 WeakPolarHBondContact O-CB 3.47Å; K202-K206 PolarHBondContact O-N 2.73Å
203	K	93.5	Very high	94.3	Very high	68 Å²	68	58.5 Å²	58.5	30%	0.296	33%	0.325	S	S	.	.	H	α-helix	trans	-58.3	-34.7	176.6	-166.4	-179.2	-173.8	-169.6	0	112.4	E143 L146 P201 F205 K206	E143-K203 PolarHBondContact O-NZ 3.27Å; E143-K203 IonicContact OE1-NZ 2.66Å; E143-K203 PolarHBondContact OE1-NZ 3.46Å; L146-K203 WeakPolarHBondContact O-CE 3.23Å; L146-K203 PolarHBondContact O-NZ 3.2Å; P201-K203 PolarHBondContact O-N 3.37Å; K203-F205 PolarHBondContact O-N 3.37Å; K203-K206 PolarHBondContact O-N 3.35Å
204	F	96	Very high	94.3	Very high	1 Å²	1	61.3 Å²	61.3	0%	0.004	34%	0.339	C	S	.	.	H	α-helix	trans	-58.6	-46.6	176.5	178.5	-100.8	0	0	0	111.6	Y128 V147 A149 M200 P201 K202 L208 P229 F230 M233 V268	Y128-F204 HydrophobicContact CD1-CD2 4.02Å; Y128-F204 AromaticContact CD1-CE2 3.99Å; Y128-F204 HydrophobicContact CD1-CE2 3.99Å; Y128-F204 HydrophobicContact CE1-CD2 4.15Å; Y128-F204 HydrophobicContact CE1-CE2 4.25Å; V147-F204 HydrophobicContact CG1-CB 4.26Å; V147-F204 HydrophobicContact CG1-CD2 4.09Å; A149-F204 HydrophobicContact CB-CD2 3.56Å; A149-F204 HydrophobicContact CB-CE2 3.81Å; M200-F204 HydrophobicContact CB-CB 4.14Å; M200-F204 HydrophobicContact CB-CD1 3.95Å; M200-F204 HydrophobicContact CB-CG 4.13Å; M200-F204 HydrophobicContact CG-CD1 4.37Å; P201-F204 WeakPolarHBondContact O-CB 3.4Å; P201-F204 PolarHBondContact O-N 3.39Å; K202-F204 PolarHBondContact O-N 2.68Å; F204-L208 HydrophobicContact CD1-CD2 4.39Å; F204-L208 HydrophobicContact CE1-CD2 3.88Å; F204-L208 HydrophobicContact CZ-CD1 4.46Å; F204-L208 HydrophobicContact CZ-CD2 4.3Å; F204-L208 WeakPolarHBondContact O-CB 3.18Å; F204-P229 HydrophobicContact CE1-CG 4.14Å; F204-F230 AromaticContact CE2-CD2 3.94Å; F204-F230 HydrophobicContact CE2-CD2 3.94Å; F204-M233 HydrophobicContact CE2-SD 3.59Å; F204-M233 VanDerWaalsContact CE2-SD 3.59Å; F204-M233 HydrophobicContact CZ-CG 4.19Å; F204-M233 HydrophobicContact CZ-SD 3.65Å; F204-V268 HydrophobicContact CE1-CG2 4.11Å
205	F	95.2	Very high	94.4	Very high	67 Å²	67	60.3 Å²	60.3	29%	0.294	33%	0.333	S	S	.	.	H	α-helix	trans	-83.2	-26.6	-177.9	-59.7	-73.6	0	0	0	113.7	M200 K202 K203 N207 L208 M267 V268	M200-F205 HydrophobicContact CB-CE2 3.77Å; M200-F205 HydrophobicContact CB-CZ 4.06Å; K202-F205 PolarHBondContact O-N 2.88Å; K203-F205 PolarHBondContact O-N 3.37Å; F205-N207 PolarHBondContact O-N 3.39Å; F205-L208 HydrophobicContact CD1-CD2 4.09Å; F205-L208 WeakPolarHBondContact O-CB 3.4Å; F205-L208 PolarHBondContact O-N 3.18Å; F205-M267 HydrophobicContact CE1-CE 4.45Å; F205-M267 HydrophobicContact CZ-CE 4.32Å; F205-V268 HydrophobicContact CE1-CG2 4.31Å
206	K	94.4	Very high	94.5	Very high	163 Å²	163	61.1 Å²	61.1	71%	0.709	34%	0.338	S	S	*	.	H	α-helix	trans	-49.2	-51.6	-170.9	-179.3	178.2	177.4	-179.8	0	113.6	K202 K203	K202-K206 WeakPolarHBondContact O-CB 3.47Å; K202-K206 PolarHBondContact O-N 2.73Å; K203-K206 PolarHBondContact O-N 3.35Å
207	N	92.6	Very high	94.9	Very high	52 Å²	52	57 Å²	57	28%	0.278	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	1.9	-178	-64	-37	0	0	0	112.9	R126 F205 S209 S210 D211	R126-N207 PolarHBondContact NH2-ND2 2.96Å; F205-N207 PolarHBondContact O-N 3.39Å; N207-S209 PolarHBondContact O-N 2.98Å; N207-S210 PolarHBondContact O-N 3.41Å; N207-S210 VanDerWaalsContact O-N 3.11Å; N207-D211 WeakPolarHBondContact CB-OD2 3.35Å; N207-D211 WeakPolarHBondContact O-CB 3.39Å; N207-D211 VanDerWaalsContact O-CG 3.29Å; N207-D211 PolarHBondContact O-N 2.93Å
208	L	95.5	Very high	95.3	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-56	-49.5	-167.1	-169.5	60.9	0	0	0	113.2	Y128 F204 F205 L212 M233 V268	Y128-L208 HydrophobicContact CE1-CD1 3.85Å; F204-L208 HydrophobicContact CD1-CD2 4.39Å; F204-L208 HydrophobicContact CE1-CD2 3.88Å; F204-L208 HydrophobicContact CZ-CD1 4.46Å; F204-L208 HydrophobicContact CZ-CD2 4.3Å; F204-L208 WeakPolarHBondContact O-CB 3.18Å; F205-L208 HydrophobicContact CD1-CD2 4.09Å; F205-L208 WeakPolarHBondContact O-CB 3.4Å; F205-L208 PolarHBondContact O-N 3.18Å; L208-L212 HydrophobicContact CD1-CD1 3.65Å; L208-L212 HydrophobicContact CD1-CG 4.2Å; L208-L212 HydrophobicContact CG-CD1 3.78Å; L208-L212 WeakPolarHBondContact O-CB 3.39Å; L208-L212 WeakPolarHBondContact O-CG 3.45Å; L208-L212 PolarHBondContact O-N 2.82Å; L208-M233 HydrophobicContact CD1-CE 3.81Å; L208-M233 HydrophobicContact CD1-CG 4.07Å; L208-M233 HydrophobicContact CD1-SD 4.02Å; L208-V268 HydrophobicContact CD2-CB 4.47Å; L208-V268 HydrophobicContact CD2-CG1 4.18Å; L208-V268 HydrophobicContact CD2-CG2 3.93Å
209	S	94.2	Very high	95.5	Very high	75 Å²	75	50.7 Å²	50.7	52%	0.524	27%	0.27	S	S	.	.	H	α-helix	trans	-65.9	-41.7	179.8	-62.2	0	0	0	0	112.3	N207 N213	N207-S209 PolarHBondContact O-N 2.98Å; S209-N213 VanDerWaalsContact O-CB 3.26Å; S209-N213 WeakPolarHBondContact O-CB 3.31Å; S209-N213 PolarHBondContact O-N 3.33Å; S209-N213 VanDerWaalsContact O-N 3.1Å; S209-N213 PolarHBondContact O-ND2 3.21Å; S209-N213 VanDerWaalsContact O-ND2 3.11Å
210	S	96.4	Very high	95.8	Very high	64 Å²	64	45.5 Å²	45.5	45%	0.448	23%	0.233	S	C	.	.	H	α-helix	trans	-64.8	-46.8	177.8	179.6	0	0	0	0	110.9	N207 N213 N214	N207-S210 PolarHBondContact O-N 3.41Å; N207-S210 VanDerWaalsContact O-N 3.11Å; S210-N213 PolarHBondContact O-N 3.18Å; S210-N214 VanDerWaalsContact O-CB 3.31Å; S210-N214 WeakPolarHBondContact O-CB 3.49Å; S210-N214 PolarHBondContact O-N 3.26Å; S210-N214 VanDerWaalsContact O-N 3.08Å; S210-N214 PolarHBondContact O-ND2 3.29Å
211	D	97.9	Very high	96.1	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-53.2	-178.3	-69.8	-10	0	0	0	109.7	I43 L125 R126 Y128 N207 N213 N214 C215	I43-D211 HydrophobicContact CD1-CB 3.81Å; I43-D211 WeakPolarHBondContact CD1-O 3.48Å; L125-D211 HydrophobicContact CD2-CB 4.34Å; R126-D211 WeakPolarHBondContact CB-OD2 3.33Å; R126-D211 WeakPolarHBondContact CG-OD2 3.4Å; R126-D211 IonicContact CZ-OD1 3.62Å; R126-D211 IonicContact CZ-OD2 2.78Å; R126-D211 IonicContact NE-OD1 2.82Å; R126-D211 IonicContact NE-OD2 2.75Å; R126-D211 PolarHBondContact NE-OD2 3.24Å; R126-D211 IonicContact NH2-OD1 3.13Å; R126-D211 PolarHBondContact NH2-OD1 3.14Å; R126-D211 IonicContact NH2-OD2 3.59Å; R126-D211 PolarHBondContact NH2-OD2 3.3Å; Y128-D211 HydrophobicContact CE2-CB 4.47Å; Y128-D211 PolarHBondContact OH-OD2 3.19Å; N207-D211 WeakPolarHBondContact CB-OD2 3.35Å; N207-D211 WeakPolarHBondContact O-CB 3.39Å; N207-D211 VanDerWaalsContact O-CG 3.29Å; N207-D211 PolarHBondContact O-N 2.93Å; D211-N213 VanDerWaalsContact C-N 3.31Å; D211-N213 PolarHBondContact O-N 3.43Å; D211-N214 CarbonylContact O-C 3.6Å; D211-N214 PolarHBondContact O-N 2.55Å; D211-N214 VanDerWaalsContact O-N 3.08Å; D211-C215 PolarHBondContact O-N 2.85Å
212	L	96	Very high	96.2	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-66.5	-27.9	-177.3	-62.7	171.6	0	0	0	113.8	I43 L208 M233 R236 V237	I43-L212 HydrophobicContact CD1-CD2 4.09Å; L208-L212 HydrophobicContact CD1-CD1 3.65Å; L208-L212 HydrophobicContact CD1-CG 4.2Å; L208-L212 HydrophobicContact CG-CD1 3.78Å; L208-L212 WeakPolarHBondContact O-CB 3.39Å; L208-L212 WeakPolarHBondContact O-CG 3.45Å; L208-L212 PolarHBondContact O-N 2.82Å; L212-M233 HydrophobicContact CD1-CB 4.34Å; L212-M233 HydrophobicContact CD1-CG 4.39Å; L212-M233 HydrophobicContact CD2-CB 4.28Å; L212-M233 HydrophobicContact CD2-CE 4.11Å; L212-R236 HydrophobicContact CB-CG 4.25Å; L212-R236 HydrophobicContact CD1-CB 3.9Å; L212-R236 HydrophobicContact CD1-CG 3.9Å; L212-V237 HydrophobicContact CD2-CG1 3.78Å
213	N	94.7	Very high	96.3	Very high	99 Å²	99	34.1 Å²	34.1	53%	0.529	18%	0.181	S	C	.	.	H	α-helix	trans	-77.1	-26.8	174.2	-72.1	-20.1	0	0	0	112.8	S209 S210 D211 R236	S209-N213 VanDerWaalsContact O-CB 3.26Å; S209-N213 WeakPolarHBondContact O-CB 3.31Å; S209-N213 PolarHBondContact O-N 3.33Å; S209-N213 VanDerWaalsContact O-N 3.1Å; S209-N213 PolarHBondContact O-ND2 3.21Å; S209-N213 VanDerWaalsContact O-ND2 3.11Å; S210-N213 PolarHBondContact O-N 3.18Å; D211-N213 VanDerWaalsContact C-N 3.31Å; D211-N213 PolarHBondContact O-N 3.43Å; N213-R236 PolarHBondContact OD1-NH1 2.98Å; N213-R236 VanDerWaalsContact OD1-NH1 3.14Å
214	N	96.1	Very high	96.3	Very high	69 Å²	69	32.7 Å²	32.7	37%	0.369	18%	0.18	S	C	.	.	H	α-helix	trans	-98.8	-7	-177.3	-80.1	-76	0	0	0	113.8	K41 L125 S210 D211	K41-N214 WeakPolarHBondContact CB-O 3.49Å; K41-N214 HydrophobicContact CD-CB 4.08Å; K41-N214 WeakPolarHBondContact CD-O 3.31Å; K41-N214 PolarHBondContact NZ-OD1 2.72Å; K41-N214 VanDerWaalsContact NZ-OD1 3.16Å; L125-N214 HydrophobicContact CD2-CB 4.12Å; S210-N214 VanDerWaalsContact O-CB 3.31Å; S210-N214 WeakPolarHBondContact O-CB 3.49Å; S210-N214 PolarHBondContact O-N 3.26Å; S210-N214 VanDerWaalsContact O-N 3.08Å; S210-N214 PolarHBondContact O-ND2 3.29Å; D211-N214 CarbonylContact O-C 3.6Å; D211-N214 PolarHBondContact O-N 2.55Å; D211-N214 VanDerWaalsContact O-N 3.08Å
215	C	97.1	Very high	96.2	Very high	7 Å²	7	32.6 Å²	32.6	5%	0.047	18%	0.18	C	C	.	.			trans	-63.1	130.8	178	-174.8	0	0	0	0	111.3	K41 I43 D211 L217 V237 V241	K41-C215 WeakPolarHBondContact O-CA 3.32Å; I43-C215 HydrophobicContact CD1-CB 3.67Å; I43-C215 HydrophobicContact CG1-CB 4.03Å; D211-C215 PolarHBondContact O-N 2.85Å; C215-L217 VanDerWaalsContact SG-C 3.51Å; C215-L217 PolarHBondContact SG-O 3.37Å; C215-V237 HydrophobicContact CB-CG1 4.37Å; C215-V241 WeakPolarHBondContact O-CG2 3.39Å
216	D	96.6	Very high	96	Very high	25 Å²	25	32.1 Å²	32.1	13%	0.134	18%	0.182	C	C	.	.	S	Bend	trans	-112.3	-13.6	174.5	54.5	17.6	0	0	0	113.4	P20 V39 N40 K41 P242	P20-D216 HydrophobicContact CG-CB 4.32Å; V39-D216 WeakPolarHBondContact CG1-OD1 3.32Å; N40-D216 PolarHBondContact N-OD2 3.43Å; K41-D216 VanDerWaalsContact CA-OD1 3.27Å; K41-D216 WeakPolarHBondContact CA-OD1 3.21Å; K41-D216 VanDerWaalsContact N-CG 3.26Å; K41-D216 PolarHBondContact N-OD1 3.18Å; K41-D216 PolarHBondContact N-OD2 3.32Å; K41-D216 PolarHBondContact O-N 3.05Å; D216-P242 WeakPolarHBondContact O-CD 3.46Å
217	L	98.3	Very high	95.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	128.7	168.1	172.6	65.7	0	0	0	110	V30 I34 V39 I42 I43 C215 I219 P242	V30-L217 HydrophobicContact CG1-CD1 3.9Å; V30-L217 HydrophobicContact CG1-CD2 3.82Å; I34-L217 HydrophobicContact CD1-CD2 3.8Å; I34-L217 HydrophobicContact CG1-CD2 3.96Å; V39-L217 HydrophobicContact CG1-CB 3.68Å; V39-L217 HydrophobicContact CG1-CD2 3.99Å; V39-L217 HydrophobicContact CG1-CG 4.49Å; V39-L217 HydrophobicContact CG2-CB 4.05Å; V39-L217 HydrophobicContact CG2-CD2 4.36Å; I42-L217 WeakPolarHBondContact CA-O 3.13Å; I42-L217 HydrophobicContact CD1-CD2 4.07Å; I42-L217 HydrophobicContact CG1-CB 4.22Å; I42-L217 HydrophobicContact CG1-CD2 4.16Å; I43-L217 PolarHBondContact N-O 3.36Å; C215-L217 VanDerWaalsContact SG-C 3.51Å; C215-L217 PolarHBondContact SG-O 3.37Å; L217-I219 HydrophobicContact CD2-CD1 4.09Å; L217-I219 HydrophobicContact CD2-CG1 4.13Å; L217-I219 HydrophobicContact CG-CG1 4.05Å; L217-P242 HydrophobicContact CD1-CB 3.88Å
218	L	98.6	Very high	95.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.1	173	-176.8	68	0	0	0	109.9	I43 M45 I220 I234 V237 P242 R243 L244	I43-L218 HydrophobicContact CB-CD1 3.86Å; I43-L218 HydrophobicContact CG2-CD1 3.69Å; I43-L218 WeakPolarHBondContact O-CA 3.02Å; M45-L218 HydrophobicContact CG-CD1 4.06Å; M45-L218 HydrophobicContact SD-CD1 3.91Å; M45-L218 HydrophobicContact SD-CD2 4.31Å; L218-I220 HydrophobicContact CD2-CD1 3.93Å; L218-I220 HydrophobicContact CD2-CG1 4.08Å; L218-I220 HydrophobicContact CG-CD1 4.36Å; L218-I220 HydrophobicContact CG-CG1 4.02Å; L218-I234 HydrophobicContact CD2-CB 4.21Å; L218-I234 HydrophobicContact CD2-CG2 4.17Å; L218-V237 HydrophobicContact CD2-CG1 4.15Å; L218-V237 HydrophobicContact CD2-CG2 4.38Å; L218-P242 PolarHBondContact N-O 3.06Å; L218-R243 HydrophobicContact CB-CG 4.09Å; L218-R243 HydrophobicContact CD2-CG 4.06Å; L218-R243 CarbonylContact O-C 3.55Å; L218-R243 WeakPolarHBondContact O-CA 3.27Å; L218-L244 PolarHBondContact O-N 3.26Å
219	I	98.8	Very high	95.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	120	173.9	-54	179	0	0	0	108.8	I42 I43 T44 M45 F114 L118 L217 M221 L244	I42-I219 HydrophobicContact CG2-CD1 3.8Å; I42-I219 HydrophobicContact CG2-CG1 3.97Å; I43-I219 PolarHBondContact O-N 3.39Å; T44-I219 CarbonylContact C-O 3.58Å; T44-I219 VanDerWaalsContact CA-O 3.23Å; T44-I219 WeakPolarHBondContact CA-O 3.31Å; T44-I219 HydrophobicContact CG2-CB 4.26Å; M45-I219 PolarHBondContact N-O 2.89Å; F114-I219 HydrophobicContact CE1-CD1 4.24Å; F114-I219 HydrophobicContact CZ-CD1 4.49Å; L118-I219 HydrophobicContact CD1-CD1 4.34Å; L217-I219 HydrophobicContact CD2-CD1 4.09Å; L217-I219 HydrophobicContact CD2-CG1 4.13Å; L217-I219 HydrophobicContact CG-CG1 4.05Å; I219-M221 HydrophobicContact CG2-CG 3.8Å; I219-M221 HydrophobicContact CG2-SD 3.94Å; I219-L244 CarbonylContact C-O 3.15Å; I219-L244 WeakPolarHBondContact CA-O 3.05Å; I219-L244 HydrophobicContact CG1-CB 4.47Å; I219-L244 HydrophobicContact CG2-CD2 4.39Å
220	I	98.8	Very high	95.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.6	-179.5	-55.1	159.4	0	0	0	107.5	M45 L218 T223 L225 I234 L244 Y245 I246 M276	M45-I220 HydrophobicContact CB-CG1 4.29Å; M45-I220 CarbonylContact O-C 3.49Å; M45-I220 VanDerWaalsContact O-CA 3.26Å; M45-I220 WeakPolarHBondContact O-CA 3.23Å; L218-I220 HydrophobicContact CD2-CD1 3.93Å; L218-I220 HydrophobicContact CD2-CG1 4.08Å; L218-I220 HydrophobicContact CG-CD1 4.36Å; L218-I220 HydrophobicContact CG-CG1 4.02Å; I220-T223 HydrophobicContact CG2-CG2 3.54Å; I220-L225 HydrophobicContact CD1-CD1 4.25Å; I220-L225 HydrophobicContact CG2-CD1 4.22Å; I220-L225 HydrophobicContact CG2-CD2 3.87Å; I220-L225 HydrophobicContact CG2-CG 4.18Å; I220-I234 HydrophobicContact CD1-CB 4.36Å; I220-I234 HydrophobicContact CD1-CG2 3.6Å; I220-I234 HydrophobicContact CG1-CG2 4.37Å; I220-L244 PolarHBondContact N-O 3.36Å; I220-Y245 HydrophobicContact CB-CD2 3.72Å; I220-Y245 HydrophobicContact CB-CE2 4.42Å; I220-Y245 HydrophobicContact CB-CG 4.39Å; I220-Y245 HydrophobicContact CG2-CD2 3.52Å; I220-Y245 HydrophobicContact CG2-CE2 3.71Å; I220-Y245 HydrophobicContact CG2-CG 4.47Å; I220-Y245 CarbonylContact O-C 3.53Å; I220-Y245 WeakPolarHBondContact O-CA 3.46Å; I220-I246 PolarHBondContact O-N 2.79Å; I220-M276 HydrophobicContact CD1-SD 4.2Å
221	M	98.7	Very high	95.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137.6	-176.7	-50	-179.6	-71.7	0	0	112.5	M45 V46 G47 V50 F114 I115 I219 T223 I246 A293 V297	M45-M221 PolarHBondContact O-N 2.8Å; V46-M221 VanDerWaalsContact CA-O 3.29Å; V46-M221 WeakPolarHBondContact CA-O 3.35Å; V46-M221 HydrophobicContact CG1-CB 4.13Å; V46-M221 HydrophobicContact CG1-CE 3.72Å; G47-M221 PolarHBondContact N-O 2.66Å; V50-M221 HydrophobicContact CG1-CB 3.78Å; F114-M221 HydrophobicContact CD1-SD 4.48Å; I115-M221 HydrophobicContact CD1-CE 3.76Å; I115-M221 HydrophobicContact CG1-CE 3.77Å; I219-M221 HydrophobicContact CG2-CG 3.8Å; I219-M221 HydrophobicContact CG2-SD 3.94Å; M221-T223 VanDerWaalsContact C-N 3.27Å; M221-T223 PolarHBondContact O-N 3.07Å; M221-I246 VanDerWaalsContact CA-O 3.3Å; M221-I246 WeakPolarHBondContact CA-O 3.18Å; M221-I246 HydrophobicContact CG-CB 4.16Å; M221-I246 HydrophobicContact CG-CD1 4.27Å; M221-I246 HydrophobicContact SD-CD1 4.29Å; M221-A293 HydrophobicContact CB-CB 4.38Å; M221-V297 HydrophobicContact SD-CG1 3.52Å; M221-V297 VanDerWaalsContact SD-CG1 3.52Å
222	G	97.3	Very high	95.2	Very high	6 Å²	6	17 Å²	17	6%	0.062	10%	0.098	C	C	.	.	S	Bend	trans	59.7	33.1	167	0	0	0	0	0	114.7	G47 A48 G49 I246	G47-G222 CarbonylContact C-O 3.53Å; G47-G222 WeakPolarHBondContact CA-O 3.23Å; A48-G222 PolarHBondContact N-O 3.22Å; G49-G222 VanDerWaalsContact CA-O 3.31Å; G49-G222 WeakPolarHBondContact CA-O 3.46Å; G49-G222 PolarHBondContact N-O 2.72Å; G222-I246 PolarHBondContact N-O 3.48Å
223	T	95.9	Very high	95.2	Very high	9 Å²	9	16.9 Å²	16.9	6%	0.055	10%	0.098	C	C	.	.			trans	-137.7	143.6	176.3	-179.4	0	0	0	0	110.6	Q130 I220 M221 L225 Y245 N247	Q130-T223 PolarHBondContact NE2-OG1 3.2Å; I220-T223 HydrophobicContact CG2-CG2 3.54Å; M221-T223 VanDerWaalsContact C-N 3.27Å; M221-T223 PolarHBondContact O-N 3.07Å; T223-L225 HydrophobicContact CG2-CD2 3.96Å; T223-L225 HydrophobicContact CG2-CG 4.17Å; T223-L225 PolarHBondContact O-N 2.75Å; T223-L225 PolarHBondContact OG1-N 3.21Å; T223-Y245 VanDerWaalsContact O-CE2 3.27Å; T223-Y245 WeakPolarHBondContact O-CE2 3.27Å; T223-Y245 PolarHBondContact O-OH 2.94Å; T223-N247 PolarHBondContact O-ND2 3.46Å
224	S	93.4	Very high	95.3	Very high	38 Å²	38	12.2 Å²	12.2	27%	0.266	7%	0.073	S	C	.	.			trans	-80.1	-0.2	175.2	59.9	0	0	0	0	114.2	T226 N251	S224-T226 WeakPolarHBondContact O-CG2 3.4Å; S224-T226 PolarHBondContact O-N 2.94Å; S224-T226 PolarHBondContact OG-OG1 2.78Å; S224-N251 WeakPolarHBondContact O-CB 3.1Å; S224-N251 VanDerWaalsContact O-CG 3.31Å
225	L	94.1	Very high	95.2	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.055	C	C	.	.	S	Bend	trans	55.1	33.8	-179.9	-66.1	172.3	0	0	0	114.5	M45 I220 T223 C231 I234 Y245 M276	M45-L225 HydrophobicContact CE-CD2 4.46Å; I220-L225 HydrophobicContact CD1-CD1 4.25Å; I220-L225 HydrophobicContact CG2-CD1 4.22Å; I220-L225 HydrophobicContact CG2-CD2 3.87Å; I220-L225 HydrophobicContact CG2-CG 4.18Å; T223-L225 HydrophobicContact CG2-CD2 3.96Å; T223-L225 HydrophobicContact CG2-CG 4.17Å; T223-L225 PolarHBondContact O-N 2.75Å; T223-L225 PolarHBondContact OG1-N 3.21Å; L225-C231 HydrophobicContact CB-CB 4.08Å; L225-C231 HydrophobicContact CD2-CB 4.21Å; L225-C231 WeakPolarHBondContact O-CB 3.4Å; L225-C231 PolarHBondContact O-SG 3.09Å; L225-C231 VanDerWaalsContact O-SG 3.39Å; L225-I234 HydrophobicContact CD1-CD1 3.95Å; L225-I234 HydrophobicContact CD2-CG2 3.91Å; L225-Y245 HydrophobicContact CD1-CD1 4.39Å; L225-Y245 HydrophobicContact CD1-CE1 3.98Å; L225-Y245 HydrophobicContact CD1-CE2 4.12Å; L225-Y245 HydrophobicContact CG-CE2 4.4Å; L225-M276 HydrophobicContact CD1-SD 4.34Å
226	T	90.4	Very high	95.1	Very high	56 Å²	56	11.6 Å²	11.6	34%	0.344	6%	0.064	S	C	.	.			trans	-101.3	-18.6	-175.6	49.1	0	0	0	0	114	S224	S224-T226 WeakPolarHBondContact O-CG2 3.4Å; S224-T226 PolarHBondContact O-N 2.94Å; S224-T226 PolarHBondContact OG-OG1 2.78Å
227	V	89.5	Confident	95	Very high	12 Å²	12	10.4 Å²	10.4	7%	0.073	6%	0.058	C	C	.	.	S	Bend	trans	-95.5	116.6	-171.4	-176.3	0	0	0	0	111.3	F230 C231	V227-F230 WeakPolarHBondContact O-CB 3.26Å; V227-F230 PolarHBondContact O-N 2.65Å; V227-C231 PolarHBondContact O-N 2.6Å; V227-C231 PolarHBondContact O-SG 3.38Å; V227-C231 VanDerWaalsContact O-SG 3.37Å
228	L	91.1	Very high	94.7	Very high	31 Å²	31	11.6 Å²	11.6	16%	0.162	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	150.3	170	-74.8	172.6	0	0	0	111.8	F230 A232 T255 S261 M264 R265	L228-F230 VanDerWaalsContact C-N 3.33Å; L228-A232 HydrophobicContact CD2-CB 3.75Å; L228-T255 HydrophobicContact CD2-CG2 4.33Å; L228-T255 HydrophobicContact CG-CG2 4.12Å; L228-S261 VanDerWaalsContact CD1-OG 3.29Å; L228-S261 WeakPolarHBondContact CD1-OG 3.49Å; L228-M264 HydrophobicContact CB-CB 4.02Å; L228-M264 HydrophobicContact CD1-CB 4.18Å; L228-R265 HydrophobicContact CD2-CB 4.26Å
229	P	91.5	Very high	94.3	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.2	0.5	-0.3	37.9	-36.7	0	0	0	113.3	M200 F204 C231 A232 M264 V268	M200-P229 HydrophobicContact CG-CG 3.78Å; F204-P229 HydrophobicContact CE1-CG 4.14Å; P229-C231 PolarHBondContact O-N 2.75Å; P229-A232 WeakPolarHBondContact O-CB 3.29Å; P229-A232 PolarHBondContact O-N 2.82Å; P229-M264 HydrophobicContact CB-CB 4.39Å; P229-M264 HydrophobicContact CB-SD 4.5Å; P229-M264 HydrophobicContact CG-CE 4.49Å; P229-V268 HydrophobicContact CB-CG2 3.67Å; P229-V268 HydrophobicContact CG-CG2 4.4Å
230	F	94.6	Very high	94	Very high	1 Å²	1	20.2 Å²	20.2	0%	0.004	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-57.4	-50.8	-173.9	-172.7	-92.5	0	0	0	113.4	M45 Q130 A149 F204 V227 L228 A232 M233	M45-F230 HydrophobicContact CB-CE1 4.11Å; M45-F230 HydrophobicContact CB-CZ 4.05Å; M45-F230 HydrophobicContact CE-CD1 3.71Å; M45-F230 HydrophobicContact CE-CE1 3.47Å; M45-F230 VanDerWaalsContact CE-CE1 3.47Å; M45-F230 HydrophobicContact CE-CG 4.42Å; M45-F230 HydrophobicContact CE-CZ 4.02Å; M45-F230 VanDerWaalsContact CE-O 3.24Å; M45-F230 WeakPolarHBondContact CE-O 3.47Å; M45-F230 HydrophobicContact CG-CZ 4.29Å; Q130-F230 HydrophobicContact CG-CB 4.35Å; Q130-F230 HydrophobicContact CG-CD1 3.56Å; Q130-F230 HydrophobicContact CG-CD2 3.79Å; Q130-F230 HydrophobicContact CG-CE1 3.65Å; Q130-F230 HydrophobicContact CG-CE2 3.84Å; Q130-F230 HydrophobicContact CG-CG 3.64Å; Q130-F230 HydrophobicContact CG-CZ 3.78Å; Q130-F230 VanDerWaalsContact NE2-CE1 3.26Å; A149-F230 HydrophobicContact CB-CD2 3.46Å; A149-F230 VanDerWaalsContact CB-CD2 3.46Å; A149-F230 HydrophobicContact CB-CE2 3.71Å; F204-F230 AromaticContact CE2-CD2 3.94Å; F204-F230 HydrophobicContact CE2-CD2 3.94Å; V227-F230 WeakPolarHBondContact O-CB 3.26Å; V227-F230 PolarHBondContact O-N 2.65Å; L228-F230 VanDerWaalsContact C-N 3.33Å; F230-A232 PolarHBondContact O-N 3.47Å; F230-M233 HydrophobicContact CD2-SD 4.24Å; F230-M233 HydrophobicContact CE2-SD 4.46Å; F230-M233 WeakPolarHBondContact O-CB 3.15Å; F230-M233 WeakPolarHBondContact O-CG 3.4Å; F230-M233 PolarHBondContact O-N 2.93Å
231	C	94.4	Very high	93.9	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.007	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-64.5	-25.3	-177.5	64.2	0	0	0	0	113.6	L225 V227 P229 M233 I234 T255	L225-C231 HydrophobicContact CB-CB 4.08Å; L225-C231 HydrophobicContact CD2-CB 4.21Å; L225-C231 WeakPolarHBondContact O-CB 3.4Å; L225-C231 PolarHBondContact O-SG 3.09Å; L225-C231 VanDerWaalsContact O-SG 3.39Å; V227-C231 PolarHBondContact O-N 2.6Å; V227-C231 PolarHBondContact O-SG 3.38Å; V227-C231 VanDerWaalsContact O-SG 3.37Å; P229-C231 PolarHBondContact O-N 2.75Å; C231-M233 PolarHBondContact O-N 3.21Å; C231-M233 VanDerWaalsContact O-N 3.15Å; C231-I234 WeakPolarHBondContact O-CG1 3.45Å; C231-I234 WeakPolarHBondContact O-CG2 3.27Å; C231-I234 PolarHBondContact O-N 2.62Å; C231-T255 WeakPolarHBondContact SG-CG2 3.28Å
232	A	94.2	Very high	93.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-66.6	-16.5	179.3	0	0	0	0	0	113.3	L228 P229 F230 I234 H235 R265 V268 A269	L228-A232 HydrophobicContact CD2-CB 3.75Å; P229-A232 WeakPolarHBondContact O-CB 3.29Å; P229-A232 PolarHBondContact O-N 2.82Å; F230-A232 PolarHBondContact O-N 3.47Å; A232-I234 PolarHBondContact O-N 3.37Å; A232-H235 WeakPolarHBondContact O-CB 3.5Å; A232-H235 PolarHBondContact O-N 2.88Å; A232-H235 VanDerWaalsContact O-N 3.08Å; A232-R265 HydrophobicContact CB-CB 4.4Å; A232-R265 HydrophobicContact CB-CG 3.88Å; A232-V268 HydrophobicContact CB-CB 4.15Å; A232-V268 HydrophobicContact CB-CG1 4.11Å; A232-A269 HydrophobicContact CB-CB 4.42Å
233	M	95.8	Very high	93.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-56.6	-34.7	176.6	-67.3	173.8	54.7	0	0	112.2	M45 Y128 F204 L208 L212 F230 C231 H235 R236 V268	M45-M233 HydrophobicContact CE-CB 3.75Å; M45-M233 HydrophobicContact CE-CE 4.41Å; M45-M233 HydrophobicContact CE-CG 4.35Å; M45-M233 HydrophobicContact CE-SD 4.03Å; M45-M233 HydrophobicContact CG-CE 4.1Å; M45-M233 HydrophobicContact SD-CB 3.77Å; M45-M233 HydrophobicContact SD-CE 3.97Å; M45-M233 HydrophobicContact SD-SD 4.36Å; Y128-M233 HydrophobicContact CD1-CE 3.67Å; Y128-M233 HydrophobicContact CD1-SD 4.1Å; Y128-M233 HydrophobicContact CD2-CE 3.67Å; Y128-M233 HydrophobicContact CE1-CE 3.86Å; Y128-M233 HydrophobicContact CE1-SD 4.45Å; Y128-M233 HydrophobicContact CE2-CE 3.84Å; Y128-M233 HydrophobicContact CG-CE 3.58Å; Y128-M233 HydrophobicContact CG-SD 4.39Å; F204-M233 HydrophobicContact CE2-SD 3.59Å; F204-M233 VanDerWaalsContact CE2-SD 3.59Å; F204-M233 HydrophobicContact CZ-CG 4.19Å; F204-M233 HydrophobicContact CZ-SD 3.65Å; L208-M233 HydrophobicContact CD1-CE 3.81Å; L208-M233 HydrophobicContact CD1-CG 4.07Å; L208-M233 HydrophobicContact CD1-SD 4.02Å; L212-M233 HydrophobicContact CD1-CB 4.34Å; L212-M233 HydrophobicContact CD1-CG 4.39Å; L212-M233 HydrophobicContact CD2-CB 4.28Å; L212-M233 HydrophobicContact CD2-CE 4.11Å; F230-M233 HydrophobicContact CD2-SD 4.24Å; F230-M233 HydrophobicContact CE2-SD 4.46Å; F230-M233 WeakPolarHBondContact O-CB 3.15Å; F230-M233 WeakPolarHBondContact O-CG 3.4Å; F230-M233 PolarHBondContact O-N 2.93Å; C231-M233 PolarHBondContact O-N 3.21Å; C231-M233 VanDerWaalsContact O-N 3.15Å; M233-H235 PolarHBondContact O-N 3.5Å; M233-H235 VanDerWaalsContact O-N 3.14Å; M233-R236 PolarHBondContact O-N 3.19Å; M233-V268 HydrophobicContact CB-CG1 4.22Å; M233-V268 HydrophobicContact CG-CG1 3.63Å
234	I	96.2	Very high	94	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-63.1	-23.4	-178.6	80.8	179.6	0	0	0	112.1	M45 L218 I220 L225 C231 A232 R236 R243 M276	M45-I234 HydrophobicContact CE-CG2 3.9Å; M45-I234 HydrophobicContact SD-CG2 3.89Å; L218-I234 HydrophobicContact CD2-CB 4.21Å; L218-I234 HydrophobicContact CD2-CG2 4.17Å; I220-I234 HydrophobicContact CD1-CB 4.36Å; I220-I234 HydrophobicContact CD1-CG2 3.6Å; I220-I234 HydrophobicContact CG1-CG2 4.37Å; L225-I234 HydrophobicContact CD1-CD1 3.95Å; L225-I234 HydrophobicContact CD2-CG2 3.91Å; C231-I234 WeakPolarHBondContact O-CG1 3.45Å; C231-I234 WeakPolarHBondContact O-CG2 3.27Å; C231-I234 PolarHBondContact O-N 2.62Å; A232-I234 PolarHBondContact O-N 3.37Å; I234-R236 VanDerWaalsContact C-N 3.33Å; I234-R243 PolarHBondContact O-NH1 3.47Å; I234-M276 HydrophobicContact CD1-CG 4.05Å; I234-M276 HydrophobicContact CD1-SD 4.47Å
235	H	94	Very high	94.2	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-80.8	-17.5	179.4	-53.3	-46.5	0	0	0	112.6	A232 M233 G253 A269 N274 Y275	A232-H235 WeakPolarHBondContact O-CB 3.5Å; A232-H235 PolarHBondContact O-N 2.88Å; A232-H235 VanDerWaalsContact O-N 3.08Å; M233-H235 PolarHBondContact O-N 3.5Å; M233-H235 VanDerWaalsContact O-N 3.14Å; H235-G253 PolarHBondContact CE1-O 3.22Å; H235-G253 PolarHBondContact NE2-O 2.98Å; H235-A269 HydrophobicContact CB-CB 4.02Å; H235-N274 HydrophobicContact CB-CB 4.42Å; H235-N274 VanDerWaalsContact ND1-C 3.33Å; H235-N274 PolarHBondContact ND1-O 2.85Å; H235-N274 PolarHBondContact O-ND2 3.03Å; H235-Y275 AromaticContact CE1-CD1 3.48Å; H235-Y275 VanDerWaalsContact CE1-CD1 3.48Å; H235-Y275 WeakPolarHBondContact CE1-CD1 3.41Å; H235-Y275 AromaticContact CE1-CE1 3.73Å
236	R	94.1	Very high	94.5	Very high	62 Å²	62	18.5 Å²	18.5	23%	0.234	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-23.5	-167.2	-172	57.4	172.5	95	-10.4	114.2	L212 N213 M233 I234 V268	L212-R236 HydrophobicContact CB-CG 4.25Å; L212-R236 HydrophobicContact CD1-CB 3.9Å; L212-R236 HydrophobicContact CD1-CG 3.9Å; N213-R236 PolarHBondContact OD1-NH1 2.98Å; N213-R236 VanDerWaalsContact OD1-NH1 3.14Å; M233-R236 PolarHBondContact O-N 3.19Å; I234-R236 VanDerWaalsContact C-N 3.33Å; R236-V268 WeakPolarHBondContact CG-O 3.44Å
237	V	94.5	Very high	94.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-54.8	154.2	172.3	-60.7	0	0	0	0	110.8	L212 C215 L218 V241 R243	L212-V237 HydrophobicContact CD2-CG1 3.78Å; C215-V237 HydrophobicContact CB-CG1 4.37Å; L218-V237 HydrophobicContact CD2-CG1 4.15Å; L218-V237 HydrophobicContact CD2-CG2 4.38Å; V237-V241 HydrophobicContact CB-CB 4.33Å; V237-V241 HydrophobicContact CB-CG1 4.34Å; V237-V241 HydrophobicContact CG2-CB 4.38Å; V237-V241 HydrophobicContact CG2-CG1 4.47Å; V237-R243 HydrophobicContact CG2-CG 4.32Å
238	G	92.6	Very high	95.1	Very high	26 Å²	26	22.3 Å²	22.3	27%	0.268	11%	0.112	S	C	.	.			trans	-53.3	149.1	-178.2	0	0	0	0	0	112.3	D240 V241 R285	G238-D240 PolarHBondContact O-N 3.29Å; G238-D240 VanDerWaalsContact O-N 3.14Å; G238-V241 WeakPolarHBondContact O-CB 3.46Å; G238-V241 PolarHBondContact O-N 3.16Å; G238-V241 VanDerWaalsContact O-N 3.1Å; G238-R285 PolarHBondContact O-NH1 3.11Å
239	N	91.4	Very high	95.3	Very high	96 Å²	96	28 Å²	28	51%	0.513	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.1	-172.1	-71.4	-13.7	0	0	0	114.4	N274 R285	N239-N274 PolarHBondContact OD1-ND2 3.48Å; N239-R285 VanDerWaalsContact C-NH1 3.28Å; N239-R285 WeakPolarHBondContact O-CD 3.45Å; N239-R285 PolarHBondContact O-NE 2.87Å; N239-R285 PolarHBondContact O-NH1 3.01Å; N239-R285 VanDerWaalsContact O-NH1 3.11Å
240	D	91.7	Very high	95.5	Very high	84 Å²	84	31.3 Å²	31.3	45%	0.449	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-2.7	-180	-49.7	-51.8	0	0	0	112.3	R19 G238 P242	R19-D240 IonicContact CZ-OD2 3.56Å; R19-D240 IonicContact NE-OD2 3.96Å; R19-D240 IonicContact NH1-OD2 2.65Å; R19-D240 PolarHBondContact NH1-OD2 2.76Å; G238-D240 PolarHBondContact O-N 3.29Å; G238-D240 VanDerWaalsContact O-N 3.14Å; D240-P242 WeakPolarHBondContact O-CD 3.24Å
241	V	96.2	Very high	95.5	Very high	14 Å²	14	33.1 Å²	33.1	9%	0.085	16%	0.16	C	C	.	.			trans	-67.1	121.3	178.9	175.5	0	0	0	0	108.9	C215 V237 G238 R285	C215-V241 WeakPolarHBondContact O-CG2 3.39Å; V237-V241 HydrophobicContact CB-CB 4.33Å; V237-V241 HydrophobicContact CB-CG1 4.34Å; V237-V241 HydrophobicContact CG2-CB 4.38Å; V237-V241 HydrophobicContact CG2-CG1 4.47Å; G238-V241 WeakPolarHBondContact O-CB 3.46Å; G238-V241 PolarHBondContact O-N 3.16Å; G238-V241 VanDerWaalsContact O-N 3.1Å; V241-R285 WeakPolarHBondContact O-CD 3.44Å; V241-R285 PolarHBondContact O-NH1 3.5Å; V241-R285 VanDerWaalsContact O-NH1 3.08Å
242	P	97.7	Very high	95.6	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.013	17%	0.167	C	C	.	.			trans	-60	142.6	172.1	-27.9	40.3	0	0	0	112	P20 L22 L33 D216 L217 L218 D240 R285	P20-P242 HydrophobicContact CB-CG 4.45Å; L22-P242 HydrophobicContact CD1-CB 4.04Å; L22-P242 HydrophobicContact CD1-CG 4.19Å; L22-P242 HydrophobicContact CD2-CB 4.24Å; L22-P242 HydrophobicContact CD2-CG 4.29Å; L22-P242 HydrophobicContact CG-CB 4.21Å; L22-P242 HydrophobicContact CG-CG 3.98Å; L33-P242 HydrophobicContact CD2-CB 4.4Å; L33-P242 HydrophobicContact CD2-CG 3.83Å; D216-P242 WeakPolarHBondContact O-CD 3.46Å; L217-P242 HydrophobicContact CD1-CB 3.88Å; L218-P242 PolarHBondContact N-O 3.06Å; D240-P242 WeakPolarHBondContact O-CD 3.24Å; P242-R285 WeakPolarHBondContact CA-O 3.4Å
243	R	98	Very high	95.4	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	109.7	177.5	-58.1	-174.6	-72.4	-174.7	-0.1	109.1	L218 I234 V237 N274 Y275 M276 R285 D286 I287	L218-R243 HydrophobicContact CB-CG 4.09Å; L218-R243 HydrophobicContact CD2-CG 4.06Å; L218-R243 CarbonylContact O-C 3.55Å; L218-R243 WeakPolarHBondContact O-CA 3.27Å; I234-R243 PolarHBondContact O-NH1 3.47Å; V237-R243 HydrophobicContact CG2-CG 4.32Å; R243-N274 PolarHBondContact NH1-O 3.48Å; R243-Y275 PolarHBondContact NH2-O 3.01Å; R243-M276 HydrophobicContact CB-CE 4.13Å; R243-R285 PolarHBondContact N-O 3.05Å; R243-D286 IonicContact CZ-OD1 3.93Å; R243-D286 IonicContact CZ-OD2 3.46Å; R243-D286 IonicContact NE-OD1 2.67Å; R243-D286 PolarHBondContact NE-OD1 3.26Å; R243-D286 IonicContact NH2-OD1 2.73Å; R243-D286 PolarHBondContact NH2-OD1 2.97Å; R243-D286 IonicContact NH2-OD2 3.67Å; R243-D286 PolarHBondContact NH2-OD2 2.7Å; R243-I287 PolarHBondContact O-N 3.22Å
244	L	98.7	Very high	95.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.7	172	175.6	60	0	0	0	109.2	I27 V30 L218 I219 I220 I246 I287 W289 I300	I27-L244 HydrophobicContact CD1-CD2 4.43Å; I27-L244 HydrophobicContact CG1-CD1 4.28Å; I27-L244 HydrophobicContact CG1-CD2 4.22Å; V30-L244 HydrophobicContact CG1-CB 4.46Å; V30-L244 HydrophobicContact CG1-CD2 4.12Å; V30-L244 HydrophobicContact CG2-CB 4.28Å; L218-L244 PolarHBondContact O-N 3.26Å; I219-L244 CarbonylContact C-O 3.15Å; I219-L244 WeakPolarHBondContact CA-O 3.05Å; I219-L244 HydrophobicContact CG1-CB 4.47Å; I219-L244 HydrophobicContact CG2-CD2 4.39Å; I220-L244 PolarHBondContact N-O 3.36Å; L244-I246 HydrophobicContact CD1-CG1 4.3Å; L244-I246 HydrophobicContact CD2-CD1 4.09Å; L244-I246 HydrophobicContact CD2-CG1 4.35Å; L244-I246 HydrophobicContact CG-CD1 4.35Å; L244-I246 HydrophobicContact CG-CG1 4.08Å; L244-I287 HydrophobicContact CD1-CB 3.95Å; L244-I287 HydrophobicContact CD1-CG2 3.62Å; L244-W289 HydrophobicContact CD1-CB 4.46Å; L244-I300 HydrophobicContact CD2-CD1 3.71Å
245	Y	98.7	Very high	94.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	111.4	178	-179.2	-153.6	0	0	0	110.6	I220 T223 L225 N247 Y250 M276 I287 F288 W289	I220-Y245 HydrophobicContact CB-CD2 3.72Å; I220-Y245 HydrophobicContact CB-CE2 4.42Å; I220-Y245 HydrophobicContact CB-CG 4.39Å; I220-Y245 HydrophobicContact CG2-CD2 3.52Å; I220-Y245 HydrophobicContact CG2-CE2 3.71Å; I220-Y245 HydrophobicContact CG2-CG 4.47Å; I220-Y245 CarbonylContact O-C 3.53Å; I220-Y245 WeakPolarHBondContact O-CA 3.46Å; T223-Y245 VanDerWaalsContact O-CE2 3.27Å; T223-Y245 WeakPolarHBondContact O-CE2 3.27Å; T223-Y245 PolarHBondContact O-OH 2.94Å; L225-Y245 HydrophobicContact CD1-CD1 4.39Å; L225-Y245 HydrophobicContact CD1-CE1 3.98Å; L225-Y245 HydrophobicContact CD1-CE2 4.12Å; L225-Y245 HydrophobicContact CG-CE2 4.4Å; Y245-N247 HydrophobicContact CD2-CB 4.05Å; Y245-N247 HydrophobicContact CE1-CB 4.44Å; Y245-N247 HydrophobicContact CE2-CB 3.42Å; Y245-N247 VanDerWaalsContact CE2-CB 3.42Å; Y245-N247 PolarHBondContact OH-ND2 3.36Å; Y245-Y250 HydrophobicContact CD1-CD2 4.07Å; Y245-Y250 HydrophobicContact CD1-CE2 4.33Å; Y245-Y250 HydrophobicContact CE1-CD2 4.23Å; Y245-M276 HydrophobicContact CD1-CE 4.37Å; Y245-M276 HydrophobicContact CD1-SD 3.96Å; Y245-M276 HydrophobicContact CG-CE 4.47Å; Y245-M276 HydrophobicContact CG-SD 4.3Å; Y245-I287 PolarHBondContact N-O 3.4Å; Y245-F288 AromaticContact CD1-CD2 3.64Å; Y245-F288 HydrophobicContact CD1-CD2 3.64Å; Y245-F288 HydrophobicContact CD1-CE2 4.09Å; Y245-F288 HydrophobicContact CE1-CD2 4.2Å; Y245-F288 HydrophobicContact CE1-CE2 4.22Å; Y245-F288 HydrophobicContact CG-CD2 4.03Å; Y245-F288 CarbonylContact O-C 3.48Å; Y245-F288 WeakPolarHBondContact O-CA 3.15Å; Y245-F288 VanDerWaalsContact O-CD2 3.3Å; Y245-F288 WeakPolarHBondContact O-CD2 3.46Å; Y245-W289 PolarHBondContact O-N 2.91Å
246	I	98.7	Very high	93.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	104.1	179	-60.7	172.4	0	0	0	107.8	I220 M221 G222 L244 W289	I220-I246 PolarHBondContact O-N 2.79Å; M221-I246 VanDerWaalsContact CA-O 3.3Å; M221-I246 WeakPolarHBondContact CA-O 3.18Å; M221-I246 HydrophobicContact CG-CB 4.16Å; M221-I246 HydrophobicContact CG-CD1 4.27Å; M221-I246 HydrophobicContact SD-CD1 4.29Å; G222-I246 PolarHBondContact N-O 3.48Å; L244-I246 HydrophobicContact CD1-CG1 4.3Å; L244-I246 HydrophobicContact CD2-CD1 4.09Å; L244-I246 HydrophobicContact CD2-CG1 4.35Å; L244-I246 HydrophobicContact CG-CD1 4.35Å; L244-I246 HydrophobicContact CG-CG1 4.08Å; I246-W289 WeakPolarHBondContact CA-O 3.48Å; I246-W289 HydrophobicContact CG1-CB 4.3Å; I246-W289 HydrophobicContact CG2-CE3 3.82Å; I246-W289 HydrophobicContact CG2-CZ3 4.24Å
247	N	97.8	Very high	93.2	Very high	22 Å²	22	49 Å²	49	12%	0.118	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	162.8	177.7	-165.2	45	0	0	0	110.7	T223 Y245 E249 F288 W289 S290 G291	T223-N247 PolarHBondContact O-ND2 3.46Å; Y245-N247 HydrophobicContact CD2-CB 4.05Å; Y245-N247 HydrophobicContact CE1-CB 4.44Å; Y245-N247 HydrophobicContact CE2-CB 3.42Å; Y245-N247 VanDerWaalsContact CE2-CB 3.42Å; Y245-N247 PolarHBondContact OH-ND2 3.36Å; N247-E249 VanDerWaalsContact C-N 3.32Å; N247-E249 PolarHBondContact ND2-O 2.75Å; N247-F288 HydrophobicContact CB-CE2 4.15Å; N247-F288 WeakPolarHBondContact O-CE2 3.43Å; N247-F288 VanDerWaalsContact O-CZ 3.29Å; N247-F288 WeakPolarHBondContact O-CZ 3.29Å; N247-W289 PolarHBondContact N-O 3.04Å; N247-S290 WeakPolarHBondContact O-CA 3.48Å; N247-G291 CarbonylContact C-O 3.59Å; N247-G291 PolarHBondContact O-N 3.41Å
248	R	96.2	Very high	92.7	Very high	127 Å²	127	51.2 Å²	51.2	48%	0.479	28%	0.281	S	S	.	.	S	Bend	trans	-66	-37.9	176.3	-67.2	-180	177.7	172.7	-2.2	112.2	S290 G291 N292	R248-S290 PolarHBondContact O-OG 3.35Å; R248-G291 PolarHBondContact N-O 2.93Å; R248-N292 VanDerWaalsContact CZ-OD1 3.25Å; R248-N292 PolarHBondContact NE-OD1 3Å; R248-N292 PolarHBondContact NH2-OD1 2.78Å
249	E	94.6	Very high	92.4	Very high	149 Å²	149	56.1 Å²	56.1	70%	0.696	30%	0.301	S	S	*	.	S	Bend	trans	-126.3	143.2	-177.2	-66.2	179.3	-177.9	0	0	110.5	N247	N247-E249 VanDerWaalsContact C-N 3.32Å; N247-E249 PolarHBondContact ND2-O 2.75Å
250	Y	96.3	Very high	92	Very high	71 Å²	71	55.9 Å²	55.9	28%	0.278	31%	0.306	S	S	.	.			trans	-81.8	138.9	176.8	180	-106.4	0	0	0	111.2	Y245 D252 M276 W278 F288	Y245-Y250 HydrophobicContact CD1-CD2 4.07Å; Y245-Y250 HydrophobicContact CD1-CE2 4.33Å; Y245-Y250 HydrophobicContact CE1-CD2 4.23Å; Y250-D252 HydrophobicContact CE1-CB 4.09Å; Y250-M276 HydrophobicContact CE2-CB 4.27Å; Y250-M276 VanDerWaalsContact OH-C 3.25Å; Y250-M276 VanDerWaalsContact OH-CB 3.22Å; Y250-M276 WeakPolarHBondContact OH-CB 3.2Å; Y250-M276 PolarHBondContact OH-O 2.91Å; Y250-M276 VanDerWaalsContact OH-O 3.11Å; Y250-W278 AromaticContact CD1-CE3 3.91Å; Y250-W278 HydrophobicContact CD1-CE3 3.91Å; Y250-W278 HydrophobicContact CD1-CZ3 4.32Å; Y250-W278 HydrophobicContact CD2-CB 4.35Å; Y250-W278 HydrophobicContact CD2-CD2 4.36Å; Y250-W278 AromaticContact CD2-CE3 3.81Å; Y250-W278 HydrophobicContact CD2-CE3 3.81Å; Y250-W278 HydrophobicContact CE1-CE3 4.17Å; Y250-W278 HydrophobicContact CE2-CB 3.62Å; Y250-W278 HydrophobicContact CE2-CD2 4.46Å; Y250-W278 HydrophobicContact CE2-CE3 4.11Å; Y250-W278 HydrophobicContact CE2-CG 4.32Å; Y250-W278 AromaticContact CG-CE3 3.7Å; Y250-W278 HydrophobicContact CG-CE3 3.7Å; Y250-W278 HydrophobicContact CG-CZ3 4.08Å; Y250-W278 PolarHBondContact OH-N 3.1Å; Y250-F288 HydrophobicContact CD2-CB 3.99Å; Y250-F288 HydrophobicContact CD2-CD1 4.25Å; Y250-F288 AromaticContact CD2-CD2 3.81Å; Y250-F288 HydrophobicContact CD2-CD2 3.81Å; Y250-F288 HydrophobicContact CD2-CE2 4.35Å; Y250-F288 AromaticContact CD2-CG 3.75Å; Y250-F288 HydrophobicContact CD2-CG 3.75Å; Y250-F288 HydrophobicContact CE2-CB 4.42Å; Y250-F288 HydrophobicContact CG-CG 4.45Å
251	N	94.9	Very high	91.6	Very high	39 Å²	39	52.6 Å²	52.6	21%	0.209	29%	0.29	C	S	.	.			trans	-141.7	135.2	168.9	-176.8	-74.5	0	0	0	107.3	S224 G253	S224-N251 WeakPolarHBondContact O-CB 3.1Å; S224-N251 VanDerWaalsContact O-CG 3.31Å; N251-G253 PolarHBondContact O-N 2.9Å; N251-G253 VanDerWaalsContact OD1-CA 3.27Å; N251-G253 WeakPolarHBondContact OD1-CA 3.47Å; N251-G253 PolarHBondContact OD1-N 3.13Å
252	D	94.5	Very high	91.1	Very high	29 Å²	29	56.9 Å²	56.9	16%	0.155	31%	0.308	C	S	.	.			trans	-81.7	4.1	-175.6	69	-10.6	0	0	0	114	Y250 S254 Y275 M276 R280	Y250-D252 HydrophobicContact CE1-CB 4.09Å; D252-S254 VanDerWaalsContact C-N 3.31Å; D252-S254 WeakPolarHBondContact OD1-CB 3.28Å; D252-S254 PolarHBondContact OD1-N 2.93Å; D252-S254 PolarHBondContact OD1-OG 3.4Å; D252-Y275 WeakPolarHBondContact O-CA 3.34Å; D252-M276 HydrophobicContact CB-CB 4.49Å; D252-M276 PolarHBondContact O-N 3.44Å; D252-R280 IonicContact OD2-NH2 3.82Å; D252-R280 PolarHBondContact OD2-NH2 3.42Å
253	G	91.2	Very high	90.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	78.6	11.7	-172.2	0	0	0	0	0	113.6	H235 N251	H235-G253 PolarHBondContact CE1-O 3.22Å; H235-G253 PolarHBondContact NE2-O 2.98Å; N251-G253 PolarHBondContact O-N 2.9Å; N251-G253 VanDerWaalsContact OD1-CA 3.27Å; N251-G253 WeakPolarHBondContact OD1-CA 3.47Å; N251-G253 PolarHBondContact OD1-N 3.13Å
254	S	88.8	Confident	90	Very high	51 Å²	51	63.4 Å²	63.4	36%	0.357	34%	0.34	S	S	.	.			trans	-66.3	140.4	167.6	59.9	0	0	0	0	110.8	D252	D252-S254 VanDerWaalsContact C-N 3.31Å; D252-S254 WeakPolarHBondContact OD1-CB 3.28Å; D252-S254 PolarHBondContact OD1-N 2.93Å; D252-S254 PolarHBondContact OD1-OG 3.4Å
255	T	83.1	Confident	89.4	Confident	30 Å²	30	64.7 Å²	64.7	18%	0.184	35%	0.345	C	S	.	.			trans	-127.3	167.5	175.4	71.4	0	0	0	0	109.6	L228 C231 S261 R265	L228-T255 HydrophobicContact CD2-CG2 4.33Å; L228-T255 HydrophobicContact CG-CG2 4.12Å; C231-T255 WeakPolarHBondContact SG-CG2 3.28Å; T255-S261 PolarHBondContact OG1-OG 3.27Å; T255-R265 PolarHBondContact OG1-NH2 2.94Å
256	E	80.9	Confident	88.8	Confident	169 Å²	169	69 Å²	69	79%	0.79	36%	0.364	S	S	*	.			trans	-49.5	149	177.4	-64.1	-179.6	-179.8	0	0	112.8	S261	E256-S261 WeakPolarHBondContact O-CB 3.47Å; E256-S261 PolarHBondContact O-OG 3.02Å
257	S	80.5	Confident	88.3	Confident	119 Å²	119	74.3 Å²	74.3	83%	0.832	39%	0.39	S	S	*	.			trans	-81	159.3	175.4	63.2	0	0	0	0	111.1
258	G	85.2	Confident	87.7	Confident	46 Å²	46	73.6 Å²	73.6	47%	0.474	39%	0.387	S	S	.	.	S	Bend	trans	132.9	163.3	176.4	0	0	0	0	0	113.5	S260 S261 F262	G258-S260 PolarHBondContact O-N 2.82Å; G258-S261 PolarHBondContact O-N 3.45Å; G258-F262 WeakPolarHBondContact O-CB 3.49Å; G258-F262 PolarHBondContact O-N 3.46Å
259	L	84.9	Confident	87.4	Confident	130 Å²	130	67.6 Å²	67.6	68%	0.681	36%	0.364	S	S	*	.	H	α-helix	trans	-61.4	-43.5	-173.7	-178.7	60.7	0	0	0	112.7	F262 I263	L259-F262 WeakPolarHBondContact O-CB 2.98Å; L259-F262 PolarHBondContact O-N 3.4Å; L259-I263 HydrophobicContact CD1-CD1 4.14Å; L259-I263 HydrophobicContact CD1-CG1 4.37Å; L259-I263 HydrophobicContact CG-CD1 4.02Å; L259-I263 WeakPolarHBondContact O-CG1 3.44Å; L259-I263 PolarHBondContact O-N 3.16Å
260	S	84.1	Confident	87	Confident	90 Å²	90	61.7 Å²	61.7	63%	0.629	34%	0.344	S	S	*	.	H	α-helix	trans	-62.6	-46.9	178.3	179.9	0	0	0	0	111.9	G258 F262 I263 M264	G258-S260 PolarHBondContact O-N 2.82Å; S260-F262 VanDerWaalsContact C-N 3.32Å; S260-F262 PolarHBondContact O-N 3Å; S260-I263 PolarHBondContact O-N 3.23Å; S260-M264 WeakPolarHBondContact O-CG 3.32Å; S260-M264 PolarHBondContact O-N 2.84Å
261	S	83.7	Confident	86.6	Confident	15 Å²	15	66 Å²	66	11%	0.105	36%	0.364	C	S	.	.	H	α-helix	trans	-60	-42	175.3	175.9	0	0	0	0	111.7	L228 T255 E256 G258 R265	L228-S261 VanDerWaalsContact CD1-OG 3.29Å; L228-S261 WeakPolarHBondContact CD1-OG 3.49Å; T255-S261 PolarHBondContact OG1-OG 3.27Å; E256-S261 WeakPolarHBondContact O-CB 3.47Å; E256-S261 PolarHBondContact O-OG 3.02Å; G258-S261 PolarHBondContact O-N 3.45Å; S261-R265 WeakPolarHBondContact O-CB 3.48Å; S261-R265 PolarHBondContact O-N 2.98Å; S261-R265 PolarHBondContact OG-NH2 3.06Å
262	F	84.1	Confident	86.1	Confident	104 Å²	104	67.7 Å²	67.7	46%	0.456	37%	0.37	S	S	.	.	H	α-helix	trans	-60.3	-48.6	174.8	175.1	-95.6	0	0	0	112.1	G258 L259 S260 R265 F266 F271	G258-F262 WeakPolarHBondContact O-CB 3.49Å; G258-F262 PolarHBondContact O-N 3.46Å; L259-F262 WeakPolarHBondContact O-CB 2.98Å; L259-F262 PolarHBondContact O-N 3.4Å; S260-F262 VanDerWaalsContact C-N 3.32Å; S260-F262 PolarHBondContact O-N 3Å; F262-R265 PolarHBondContact O-N 2.93Å; F262-F266 VanDerWaalsContact O-CB 3.25Å; F262-F266 WeakPolarHBondContact O-CB 3.46Å; F262-F266 PolarHBondContact O-N 3.06Å; F262-F271 HydrophobicContact CZ-CE1 4.24Å
263	I	87	Confident	85.5	Confident	84 Å²	84	71.7 Å²	71.7	43%	0.431	39%	0.387	S	S	.	.	H	α-helix	trans	-61.3	-50.4	179.4	-68.4	166.1	0	0	0	110.7	L259 S260 R265 F266 M267	L259-I263 HydrophobicContact CD1-CD1 4.14Å; L259-I263 HydrophobicContact CD1-CG1 4.37Å; L259-I263 HydrophobicContact CG-CD1 4.02Å; L259-I263 WeakPolarHBondContact O-CG1 3.44Å; L259-I263 PolarHBondContact O-N 3.16Å; S260-I263 PolarHBondContact O-N 3.23Å; I263-R265 VanDerWaalsContact C-N 3.29Å; I263-R265 PolarHBondContact O-N 3.29Å; I263-F266 PolarHBondContact O-N 2.94Å; I263-F266 VanDerWaalsContact O-N 3.17Å; I263-M267 HydrophobicContact CG2-SD 4.4Å; I263-M267 WeakPolarHBondContact O-CG 3.37Å; I263-M267 PolarHBondContact O-N 2.95Å
264	M	86.2	Confident	85.4	Confident	56 Å²	56	73.6 Å²	73.6	28%	0.276	40%	0.398	S	S	.	.	H	α-helix	trans	-60.9	-39.1	-179.3	-73.8	-69.9	-113.4	0	0	112.2	L228 P229 S260 M267	L228-M264 HydrophobicContact CB-CB 4.02Å; L228-M264 HydrophobicContact CD1-CB 4.18Å; P229-M264 HydrophobicContact CB-CB 4.39Å; P229-M264 HydrophobicContact CB-SD 4.5Å; P229-M264 HydrophobicContact CG-CE 4.49Å; S260-M264 WeakPolarHBondContact O-CG 3.32Å; S260-M264 PolarHBondContact O-N 2.84Å; M264-M267 HydrophobicContact SD-SD 4.48Å
265	R	86.1	Confident	85.7	Confident	27 Å²	27	73.8 Å²	73.8	10%	0.102	39%	0.391	C	S	.	.	H	α-helix	trans	-68.1	-44.9	174.8	-168.8	-175.6	-44.9	-167.4	5.1	111.5	L228 A232 T255 S261 F262 I263 M267 V268 A269 Y275	L228-R265 HydrophobicContact CD2-CB 4.26Å; A232-R265 HydrophobicContact CB-CB 4.4Å; A232-R265 HydrophobicContact CB-CG 3.88Å; T255-R265 PolarHBondContact OG1-NH2 2.94Å; S261-R265 WeakPolarHBondContact O-CB 3.48Å; S261-R265 PolarHBondContact O-N 2.98Å; S261-R265 PolarHBondContact OG-NH2 3.06Å; F262-R265 PolarHBondContact O-N 2.93Å; I263-R265 VanDerWaalsContact C-N 3.29Å; I263-R265 PolarHBondContact O-N 3.29Å; R265-M267 VanDerWaalsContact C-N 3.27Å; R265-M267 PolarHBondContact O-N 3.11Å; R265-V268 PolarHBondContact O-N 3.05Å; R265-V268 VanDerWaalsContact O-N 3.11Å; R265-A269 HydrophobicContact CG-CB 4.36Å; R265-A269 WeakPolarHBondContact O-CB 3.47Å; R265-A269 PolarHBondContact O-N 3.4Å; R265-Y275 PolarHBondContact NH1-OH 3.34Å
266	F	86.1	Confident	86.3	Confident	91 Å²	91	72.3 Å²	72.3	40%	0.399	38%	0.382	S	S	.	.	H	α-helix	trans	-59.4	-38.6	179.3	-177.2	-94.7	0	0	0	111.9	F262 I263 V268 G270 F271	F262-F266 VanDerWaalsContact O-CB 3.25Å; F262-F266 WeakPolarHBondContact O-CB 3.46Å; F262-F266 PolarHBondContact O-N 3.06Å; I263-F266 PolarHBondContact O-N 2.94Å; I263-F266 VanDerWaalsContact O-N 3.17Å; F266-V268 PolarHBondContact O-N 3.41Å; F266-G270 VanDerWaalsContact O-CA 3.23Å; F266-G270 WeakPolarHBondContact O-CA 3.49Å; F266-G270 PolarHBondContact O-N 3.28Å; F266-F271 HydrophobicContact CD2-CD1 4.39Å; F266-F271 HydrophobicContact CD2-CE1 4.32Å; F266-F271 HydrophobicContact CD2-CZ 4.38Å; F266-F271 HydrophobicContact CE2-CD1 4.26Å; F266-F271 AromaticContact CE2-CD2 3.82Å; F266-F271 HydrophobicContact CE2-CD2 3.82Å; F266-F271 HydrophobicContact CE2-CE1 4.01Å; F266-F271 AromaticContact CE2-CE2 3.55Å; F266-F271 HydrophobicContact CE2-CE2 3.55Å; F266-F271 HydrophobicContact CE2-CG 4.16Å; F266-F271 AromaticContact CE2-CZ 3.65Å; F266-F271 HydrophobicContact CE2-CZ 3.65Å; F266-F271 HydrophobicContact CZ-CE2 4.25Å; F266-F271 HydrophobicContact CZ-CZ 4.44Å
267	M	87.6	Confident	87	Confident	111 Å²	111	67.9 Å²	67.9	55%	0.547	36%	0.36	S	S	.	.	H	α-helix	trans	-58.5	-31.4	176.4	-73.2	177.2	74	0	0	113.8	F205 I263 M264 R265	F205-M267 HydrophobicContact CE1-CE 4.45Å; F205-M267 HydrophobicContact CZ-CE 4.32Å; I263-M267 HydrophobicContact CG2-SD 4.4Å; I263-M267 WeakPolarHBondContact O-CG 3.37Å; I263-M267 PolarHBondContact O-N 2.95Å; M264-M267 HydrophobicContact SD-SD 4.48Å; R265-M267 VanDerWaalsContact C-N 3.27Å; R265-M267 PolarHBondContact O-N 3.11Å
268	V	86.9	Confident	87.7	Confident	8 Å²	8	67.3 Å²	67.3	5%	0.048	34%	0.34	C	S	.	.	H	α-helix	trans	-102.2	-42	-177.9	170.1	0	0	0	0	112.3	F204 F205 L208 P229 A232 M233 R236 R265 F266	F204-V268 HydrophobicContact CE1-CG2 4.11Å; F205-V268 HydrophobicContact CE1-CG2 4.31Å; L208-V268 HydrophobicContact CD2-CB 4.47Å; L208-V268 HydrophobicContact CD2-CG1 4.18Å; L208-V268 HydrophobicContact CD2-CG2 3.93Å; P229-V268 HydrophobicContact CB-CG2 3.67Å; P229-V268 HydrophobicContact CG-CG2 4.4Å; A232-V268 HydrophobicContact CB-CB 4.15Å; A232-V268 HydrophobicContact CB-CG1 4.11Å; M233-V268 HydrophobicContact CB-CG1 4.22Å; M233-V268 HydrophobicContact CG-CG1 3.63Å; R236-V268 WeakPolarHBondContact CG-O 3.44Å; R265-V268 PolarHBondContact O-N 3.05Å; R265-V268 VanDerWaalsContact O-N 3.11Å; F266-V268 PolarHBondContact O-N 3.41Å
269	A	88.2	Confident	88	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-107.5	-10.2	-170.8	0	0	0	0	0	114.4	A232 H235 R265 K272	A232-A269 HydrophobicContact CB-CB 4.42Å; H235-A269 HydrophobicContact CB-CB 4.02Å; R265-A269 HydrophobicContact CG-CB 4.36Å; R265-A269 WeakPolarHBondContact O-CB 3.47Å; R265-A269 PolarHBondContact O-N 3.4Å; A269-K272 WeakPolarHBondContact O-CB 3.35Å; A269-K272 PolarHBondContact O-N 3.33Å
270	G	87.4	Confident	88.5	Confident	26 Å²	26	68.3 Å²	68.3	27%	0.268	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	-138.7	-165.9	0	0	0	0	0	110.9	F266 K272	F266-G270 VanDerWaalsContact O-CA 3.23Å; F266-G270 WeakPolarHBondContact O-CA 3.49Å; F266-G270 PolarHBondContact O-N 3.28Å; G270-K272 VanDerWaalsContact C-N 3.26Å; G270-K272 PolarHBondContact O-N 2.85Å
271	F	86.5	Confident	89	Confident	162 Å²	162	70.3 Å²	70.3	71%	0.711	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-0.1	174.5	-65.8	-72.2	0	0	0	114.3	F262 F266 Q273	F262-F271 HydrophobicContact CZ-CE1 4.24Å; F266-F271 HydrophobicContact CD2-CD1 4.39Å; F266-F271 HydrophobicContact CD2-CE1 4.32Å; F266-F271 HydrophobicContact CD2-CZ 4.38Å; F266-F271 HydrophobicContact CE2-CD1 4.26Å; F266-F271 AromaticContact CE2-CD2 3.82Å; F266-F271 HydrophobicContact CE2-CD2 3.82Å; F266-F271 HydrophobicContact CE2-CE1 4.01Å; F266-F271 AromaticContact CE2-CE2 3.55Å; F266-F271 HydrophobicContact CE2-CE2 3.55Å; F266-F271 HydrophobicContact CE2-CG 4.16Å; F266-F271 AromaticContact CE2-CZ 3.65Å; F266-F271 HydrophobicContact CE2-CZ 3.65Å; F266-F271 HydrophobicContact CZ-CE2 4.25Å; F266-F271 HydrophobicContact CZ-CZ 4.44Å; F271-Q273 PolarHBondContact O-N 2.85Å
272	K	84.8	Confident	89.5	Confident	73 Å²	73	73.4 Å²	73.4	32%	0.317	37%	0.372	S	S	.	.			trans	-70.6	127.8	-177.5	-63	-170.6	-178.5	-174.2	0	110.7	A269 G270	A269-K272 WeakPolarHBondContact O-CB 3.35Å; A269-K272 PolarHBondContact O-N 3.33Å; G270-K272 VanDerWaalsContact C-N 3.26Å; G270-K272 PolarHBondContact O-N 2.85Å
273	Q	83.2	Confident	90	Very high	113 Å²	113	69.4 Å²	69.4	53%	0.528	36%	0.356	S	S	.	.			trans	-123.2	59.1	174.7	-63.7	-168.3	34.4	0	0	110.6	F271 Y275	F271-Q273 PolarHBondContact O-N 2.85Å; Q273-Y275 VanDerWaalsContact C-N 3.31Å; Q273-Y275 HydrophobicContact CB-CE2 3.9Å; Q273-Y275 PolarHBondContact O-N 2.98Å; Q273-Y275 VanDerWaalsContact O-N 3.09Å; Q273-Y275 PolarHBondContact OE1-OH 3.36Å; Q273-Y275 VanDerWaalsContact OE1-OH 3.09Å
274	N	88.9	Confident	90.3	Very high	41 Å²	41	73.9 Å²	73.9	22%	0.219	37%	0.372	C	S	.	.			trans	-84.8	74.1	177.9	-70	-26.5	0	0	0	109.9	H235 N239 R243	H235-N274 HydrophobicContact CB-CB 4.42Å; H235-N274 VanDerWaalsContact ND1-C 3.33Å; H235-N274 PolarHBondContact ND1-O 2.85Å; H235-N274 PolarHBondContact O-ND2 3.03Å; N239-N274 PolarHBondContact OD1-ND2 3.48Å; R243-N274 PolarHBondContact NH1-O 3.48Å
275	Y	94	Very high	90.8	Very high	54 Å²	54	72.2 Å²	72.2	21%	0.212	36%	0.363	C	S	.	.			trans	-58.9	157.5	171.8	-59.4	-70.8	0	0	0	111	H235 R243 D252 R265 Q273	H235-Y275 AromaticContact CE1-CD1 3.48Å; H235-Y275 VanDerWaalsContact CE1-CD1 3.48Å; H235-Y275 WeakPolarHBondContact CE1-CD1 3.41Å; H235-Y275 AromaticContact CE1-CE1 3.73Å; R243-Y275 PolarHBondContact NH2-O 3.01Å; D252-Y275 WeakPolarHBondContact O-CA 3.34Å; R265-Y275 PolarHBondContact NH1-OH 3.34Å; Q273-Y275 VanDerWaalsContact C-N 3.31Å; Q273-Y275 HydrophobicContact CB-CE2 3.9Å; Q273-Y275 PolarHBondContact O-N 2.98Å; Q273-Y275 VanDerWaalsContact O-N 3.09Å; Q273-Y275 PolarHBondContact OE1-OH 3.36Å; Q273-Y275 VanDerWaalsContact OE1-OH 3.09Å
276	M	95.6	Very high	91.3	Very high	0 Å²	0	71 Å²	71	0%	0	36%	0.358	C	S	.	.			trans	-68.6	141.6	170.1	-61.3	-169.3	69.8	0	0	109.8	I220 L225 I234 R243 Y245 Y250 D252 D286	I220-M276 HydrophobicContact CD1-SD 4.2Å; L225-M276 HydrophobicContact CD1-SD 4.34Å; I234-M276 HydrophobicContact CD1-CG 4.05Å; I234-M276 HydrophobicContact CD1-SD 4.47Å; R243-M276 HydrophobicContact CB-CE 4.13Å; Y245-M276 HydrophobicContact CD1-CE 4.37Å; Y245-M276 HydrophobicContact CD1-SD 3.96Å; Y245-M276 HydrophobicContact CG-CE 4.47Å; Y245-M276 HydrophobicContact CG-SD 4.3Å; Y250-M276 HydrophobicContact CE2-CB 4.27Å; Y250-M276 VanDerWaalsContact OH-C 3.25Å; Y250-M276 VanDerWaalsContact OH-CB 3.22Å; Y250-M276 WeakPolarHBondContact OH-CB 3.2Å; Y250-M276 PolarHBondContact OH-O 2.91Å; Y250-M276 VanDerWaalsContact OH-O 3.11Å; D252-M276 HydrophobicContact CB-CB 4.49Å; D252-M276 PolarHBondContact O-N 3.44Å; M276-D286 WeakPolarHBondContact CA-OD2 3.14Å; M276-D286 HydrophobicContact CB-CB 4.47Å; M276-D286 HydrophobicContact CE-CB 3.97Å
277	K	95.5	Very high	91.9	Very high	75 Å²	75	66.8 Å²	66.8	33%	0.326	34%	0.34	S	S	.	.			trans	-115.8	21.5	-175.2	-62.5	-172.7	176.2	-170.5	0	112.2	G279 R280 D282 N283 D286	K277-G279 PolarHBondContact O-N 2.88Å; K277-R280 HydrophobicContact CB-CB 4.26Å; K277-R280 HydrophobicContact CB-CG 4.38Å; K277-R280 VanDerWaalsContact O-CB 3.29Å; K277-R280 WeakPolarHBondContact O-CB 3.29Å; K277-R280 PolarHBondContact O-N 2.96Å; K277-D282 WeakPolarHBondContact CE-OD2 3.35Å; K277-D282 IonicContact NZ-OD2 2.68Å; K277-D282 PolarHBondContact NZ-OD2 3.24Å; K277-N283 HydrophobicContact CB-CB 4.22Å; K277-N283 VanDerWaalsContact O-CB 3.29Å; K277-N283 WeakPolarHBondContact O-CB 3.46Å; K277-D286 PolarHBondContact N-OD2 2.65Å
278	W	95.2	Very high	92.4	Very high	108 Å²	108	62.6 Å²	62.6	41%	0.409	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	137.1	177.9	176.7	77.3	0	0	0	110.5	Y250 R280 F288	Y250-W278 AromaticContact CD1-CE3 3.91Å; Y250-W278 HydrophobicContact CD1-CE3 3.91Å; Y250-W278 HydrophobicContact CD1-CZ3 4.32Å; Y250-W278 HydrophobicContact CD2-CB 4.35Å; Y250-W278 HydrophobicContact CD2-CD2 4.36Å; Y250-W278 AromaticContact CD2-CE3 3.81Å; Y250-W278 HydrophobicContact CD2-CE3 3.81Å; Y250-W278 HydrophobicContact CE1-CE3 4.17Å; Y250-W278 HydrophobicContact CE2-CB 3.62Å; Y250-W278 HydrophobicContact CE2-CD2 4.46Å; Y250-W278 HydrophobicContact CE2-CE3 4.11Å; Y250-W278 HydrophobicContact CE2-CG 4.32Å; Y250-W278 AromaticContact CG-CE3 3.7Å; Y250-W278 HydrophobicContact CG-CE3 3.7Å; Y250-W278 HydrophobicContact CG-CZ3 4.08Å; Y250-W278 PolarHBondContact OH-N 3.1Å; W278-R280 PolarHBondContact O-N 2.97Å; W278-F288 HydrophobicContact CB-CB 4.17Å; W278-F288 HydrophobicContact CD2-CB 3.57Å; W278-F288 HydrophobicContact CD2-CD1 4.09Å; W278-F288 HydrophobicContact CD2-CG 4.21Å; W278-F288 AromaticContact CE2-CD1 3.93Å; W278-F288 HydrophobicContact CE3-CB 4.22Å; W278-F288 HydrophobicContact CE3-CD1 4.1Å; W278-F288 HydrophobicContact CE3-CG 4.44Å; W278-F288 HydrophobicContact CG-CB 3.5Å; W278-F288 AromaticContact CH2-CD1 3.83Å; W278-F288 HydrophobicContact CH2-CD1 3.83Å; W278-F288 HydrophobicContact CH2-CE1 4.42Å; W278-F288 HydrophobicContact CZ2-CB 4.44Å; W278-F288 AromaticContact CZ2-CD1 3.81Å; W278-F288 HydrophobicContact CZ2-CD1 3.81Å; W278-F288 AromaticContact CZ3-CD1 3.97Å; W278-F288 HydrophobicContact CZ3-CD1 3.97Å
279	G	93	Very high	93	Very high	73 Å²	73	65 Å²	65	75%	0.753	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	-5.1	-174.5	0	0	0	0	0	115.9	K277	K277-G279 PolarHBondContact O-N 2.88Å
280	R	94.6	Very high	93.4	Very high	124 Å²	124	68.8 Å²	68.8	47%	0.468	35%	0.353	S	S	.	.	S	Bend	trans	-89.1	148.1	175.9	-53.5	-171.5	-175.4	-174.7	4.4	111.2	D252 K277 W278 D282 N283	D252-R280 IonicContact OD2-NH2 3.82Å; D252-R280 PolarHBondContact OD2-NH2 3.42Å; K277-R280 HydrophobicContact CB-CB 4.26Å; K277-R280 HydrophobicContact CB-CG 4.38Å; K277-R280 VanDerWaalsContact O-CB 3.29Å; K277-R280 WeakPolarHBondContact O-CB 3.29Å; K277-R280 PolarHBondContact O-N 2.96Å; W278-R280 PolarHBondContact O-N 2.97Å; R280-D282 WeakPolarHBondContact CB-OD1 3.34Å; R280-D282 PolarHBondContact O-N 3.49Å; R280-N283 WeakPolarHBondContact O-CB 3.26Å; R280-N283 PolarHBondContact O-N 3.43Å; R280-N283 VanDerWaalsContact O-N 3.17Å
281	S	94.3	Very high	93.9	Very high	132 Å²	132	68.4 Å²	68.4	92%	0.923	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-24.8	-179.1	54.3	0	0	0	0	113.9	N283	S281-N283 VanDerWaalsContact C-N 3.35Å
282	D	93.4	Very high	94.4	Very high	80 Å²	80	63.5 Å²	63.5	43%	0.428	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	10.4	177.9	73.5	-36	0	0	0	113.3	K277 R280	K277-D282 WeakPolarHBondContact CE-OD2 3.35Å; K277-D282 IonicContact NZ-OD2 2.68Å; K277-D282 PolarHBondContact NZ-OD2 3.24Å; R280-D282 WeakPolarHBondContact CB-OD1 3.34Å; R280-D282 PolarHBondContact O-N 3.49Å
283	N	95.3	Very high	95.1	Very high	20 Å²	20	60.2 Å²	60.2	11%	0.107	32%	0.317	C	S	.	.			trans	-67.7	134.3	174.8	-172.6	14.3	0	0	0	111.4	L25 K277 R280 S281 R285 D286	L25-N283 HydrophobicContact CD1-CB 4.44Å; K277-N283 HydrophobicContact CB-CB 4.22Å; K277-N283 VanDerWaalsContact O-CB 3.29Å; K277-N283 WeakPolarHBondContact O-CB 3.46Å; R280-N283 WeakPolarHBondContact O-CB 3.26Å; R280-N283 PolarHBondContact O-N 3.43Å; R280-N283 VanDerWaalsContact O-N 3.17Å; S281-N283 VanDerWaalsContact C-N 3.35Å; N283-R285 PolarHBondContact OD1-N 2.99Å; N283-R285 VanDerWaalsContact OD1-N 3.08Å; N283-D286 PolarHBondContact ND2-O 2.95Å; N283-D286 WeakPolarHBondContact OD1-CB 3.44Å; N283-D286 PolarHBondContact OD1-N 3.43Å
284	K	93.8	Very high	95.8	Very high	177 Å²	177	56 Å²	56	77%	0.77	30%	0.298	S	S	*	.	S	Bend	trans	-129.2	-5.8	175.7	-61.8	-172.7	178.1	-173.7	0	114
285	R	95.5	Very high	96.3	Very high	22 Å²	22	58 Å²	58	8%	0.083	31%	0.309	C	S	.	.	S	Bend	trans	-155.4	-12.8	-163.8	78.2	-167.4	-175.7	137.9	-18.7	116.5	G238 N239 V241 P242 R243 N283 I287	G238-R285 PolarHBondContact O-NH1 3.11Å; N239-R285 VanDerWaalsContact C-NH1 3.28Å; N239-R285 WeakPolarHBondContact O-CD 3.45Å; N239-R285 PolarHBondContact O-NE 2.87Å; N239-R285 PolarHBondContact O-NH1 3.01Å; N239-R285 VanDerWaalsContact O-NH1 3.11Å; V241-R285 WeakPolarHBondContact O-CD 3.44Å; V241-R285 PolarHBondContact O-NH1 3.5Å; V241-R285 VanDerWaalsContact O-NH1 3.08Å; P242-R285 WeakPolarHBondContact CA-O 3.4Å; R243-R285 PolarHBondContact N-O 3.05Å; N283-R285 PolarHBondContact OD1-N 2.99Å; N283-R285 VanDerWaalsContact OD1-N 3.08Å; R285-I287 VanDerWaalsContact O-CD1 3.27Å; R285-I287 WeakPolarHBondContact O-CD1 3.3Å
286	D	97.7	Very high	96.5	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	115.4	-173	-62.3	-38.9	0	0	0	110	R243 M276 K277 N283	R243-D286 IonicContact CZ-OD1 3.93Å; R243-D286 IonicContact CZ-OD2 3.46Å; R243-D286 IonicContact NE-OD1 2.67Å; R243-D286 PolarHBondContact NE-OD1 3.26Å; R243-D286 IonicContact NH2-OD1 2.73Å; R243-D286 PolarHBondContact NH2-OD1 2.97Å; R243-D286 IonicContact NH2-OD2 3.67Å; R243-D286 PolarHBondContact NH2-OD2 2.7Å; M276-D286 WeakPolarHBondContact CA-OD2 3.14Å; M276-D286 HydrophobicContact CB-CB 4.47Å; M276-D286 HydrophobicContact CE-CB 3.97Å; K277-D286 PolarHBondContact N-OD2 2.65Å; N283-D286 PolarHBondContact ND2-O 2.95Å; N283-D286 WeakPolarHBondContact OD1-CB 3.44Å; N283-D286 PolarHBondContact OD1-N 3.43Å
287	I	98.3	Very high	96.6	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.9	176.3	-58.3	80.9	0	0	0	107.7	L22 V30 R243 L244 Y245 R285	L22-I287 HydrophobicContact CD1-CD1 3.46Å; L22-I287 VanDerWaalsContact CD1-CD1 3.46Å; L22-I287 HydrophobicContact CD2-CD1 4.31Å; V30-I287 HydrophobicContact CG2-CB 4.45Å; V30-I287 HydrophobicContact CG2-CD1 3.73Å; V30-I287 HydrophobicContact CG2-CG1 3.91Å; R243-I287 PolarHBondContact O-N 3.22Å; L244-I287 HydrophobicContact CD1-CB 3.95Å; L244-I287 HydrophobicContact CD1-CG2 3.62Å; Y245-I287 PolarHBondContact N-O 3.4Å; R285-I287 VanDerWaalsContact O-CD1 3.27Å; R285-I287 WeakPolarHBondContact O-CD1 3.3Å
288	F	98.5	Very high	96.8	Very high	23 Å²	23	53.2 Å²	53.2	10%	0.101	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.5	166.5	176.9	-114.9	0	0	0	108.9	Y245 N247 Y250 W278	Y245-F288 AromaticContact CD1-CD2 3.64Å; Y245-F288 HydrophobicContact CD1-CD2 3.64Å; Y245-F288 HydrophobicContact CD1-CE2 4.09Å; Y245-F288 HydrophobicContact CE1-CD2 4.2Å; Y245-F288 HydrophobicContact CE1-CE2 4.22Å; Y245-F288 HydrophobicContact CG-CD2 4.03Å; Y245-F288 CarbonylContact O-C 3.48Å; Y245-F288 WeakPolarHBondContact O-CA 3.15Å; Y245-F288 VanDerWaalsContact O-CD2 3.3Å; Y245-F288 WeakPolarHBondContact O-CD2 3.46Å; N247-F288 HydrophobicContact CB-CE2 4.15Å; N247-F288 WeakPolarHBondContact O-CE2 3.43Å; N247-F288 VanDerWaalsContact O-CZ 3.29Å; N247-F288 WeakPolarHBondContact O-CZ 3.29Å; Y250-F288 HydrophobicContact CD2-CB 3.99Å; Y250-F288 HydrophobicContact CD2-CD1 4.25Å; Y250-F288 AromaticContact CD2-CD2 3.81Å; Y250-F288 HydrophobicContact CD2-CD2 3.81Å; Y250-F288 HydrophobicContact CD2-CE2 4.35Å; Y250-F288 AromaticContact CD2-CG 3.75Å; Y250-F288 HydrophobicContact CD2-CG 3.75Å; Y250-F288 HydrophobicContact CE2-CB 4.42Å; Y250-F288 HydrophobicContact CG-CG 4.45Å; W278-F288 HydrophobicContact CB-CB 4.17Å; W278-F288 HydrophobicContact CD2-CB 3.57Å; W278-F288 HydrophobicContact CD2-CD1 4.09Å; W278-F288 HydrophobicContact CD2-CG 4.21Å; W278-F288 AromaticContact CE2-CD1 3.93Å; W278-F288 HydrophobicContact CE3-CB 4.22Å; W278-F288 HydrophobicContact CE3-CD1 4.1Å; W278-F288 HydrophobicContact CE3-CG 4.44Å; W278-F288 HydrophobicContact CG-CB 3.5Å; W278-F288 AromaticContact CH2-CD1 3.83Å; W278-F288 HydrophobicContact CH2-CD1 3.83Å; W278-F288 HydrophobicContact CH2-CE1 4.42Å; W278-F288 HydrophobicContact CZ2-CB 4.44Å; W278-F288 AromaticContact CZ2-CD1 3.81Å; W278-F288 HydrophobicContact CZ2-CD1 3.81Å; W278-F288 AromaticContact CZ3-CD1 3.97Å; W278-F288 HydrophobicContact CZ3-CD1 3.97Å
289	W	98.4	Very high	96.9	Very high	59 Å²	59	51.1 Å²	51.1	22%	0.223	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.6	172.2	-171.4	93.7	0	0	0	108.2	I27 L244 Y245 I246 N247 D295 G296 K299	I27-W289 HydrophobicContact CD1-CB 4.36Å; I27-W289 HydrophobicContact CD1-CG 3.97Å; L244-W289 HydrophobicContact CD1-CB 4.46Å; Y245-W289 PolarHBondContact O-N 2.91Å; I246-W289 WeakPolarHBondContact CA-O 3.48Å; I246-W289 HydrophobicContact CG1-CB 4.3Å; I246-W289 HydrophobicContact CG2-CE3 3.82Å; I246-W289 HydrophobicContact CG2-CZ3 4.24Å; N247-W289 PolarHBondContact N-O 3.04Å; W289-D295 HydrophobicContact CH2-CB 3.58Å; W289-D295 HydrophobicContact CZ3-CB 4.12Å; W289-G296 VanDerWaalsContact CZ3-N 3.29Å; W289-K299 HydrophobicContact CZ2-CB 4.33Å
290	S	98	Very high	97.2	Very high	79 Å²	79	47.7 Å²	47.7	55%	0.552	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	119.2	-172.4	-170.4	0	0	0	0	111.1	N247 R248	N247-S290 WeakPolarHBondContact O-CA 3.48Å; R248-S290 PolarHBondContact O-OG 3.35Å
291	G	97.6	Very high	97.4	Very high	18 Å²	18	41.8 Å²	41.8	19%	0.186	23%	0.227	C	C	.	.	S	Bend	trans	157.6	-168.2	175.7	0	0	0	0	0	113.5	N247 R248	N247-G291 CarbonylContact C-O 3.59Å; N247-G291 PolarHBondContact O-N 3.41Å; R248-G291 PolarHBondContact N-O 2.93Å
292	N	97.5	Very high	97.6	Very high	60 Å²	60	39.8 Å²	39.8	32%	0.321	20%	0.203	S	C	.	.			trans	-73.2	155	172.9	-53.8	-58.2	0	0	0	110.6	R248 D294 D295 G296	R248-N292 VanDerWaalsContact CZ-OD1 3.25Å; R248-N292 PolarHBondContact NE-OD1 3Å; R248-N292 PolarHBondContact NH2-OD1 2.78Å; N292-D294 VanDerWaalsContact C-N 3.33Å; N292-D294 PolarHBondContact O-N 3.23Å; N292-D295 VanDerWaalsContact CB-OD2 3.31Å; N292-D295 WeakPolarHBondContact CB-OD2 3.32Å; N292-D295 PolarHBondContact ND2-OD2 3.21Å; N292-D295 PolarHBondContact O-N 3.17Å; N292-G296 PolarHBondContact O-N 3.04Å; N292-G296 VanDerWaalsContact O-N 3.12Å
293	A	98.2	Very high	97.9	Very high	3 Å²	3	38.2 Å²	38.2	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-57.1	-46.1	178	0	0	0	0	0	112.1	V50 A111 M221 D295 G296 V297	V50-A293 HydrophobicContact CB-CB 4.35Å; V50-A293 HydrophobicContact CG1-CB 3.84Å; A111-A293 HydrophobicContact CB-CB 4Å; M221-A293 HydrophobicContact CB-CB 4.38Å; A293-D295 PolarHBondContact O-N 3.36Å; A293-G296 PolarHBondContact O-N 2.94Å; A293-V297 PolarHBondContact O-N 3.45Å
294	D	98.5	Very high	98	Very high	26 Å²	26	37.7 Å²	37.7	14%	0.139	19%	0.192	C	C	.	.	H	α-helix	trans	-60.1	-43.5	-179.9	-84.3	19.4	0	0	0	112.3	T109 L110 A111 N292 G296 V297 V298	T109-D294 WeakPolarHBondContact CB-OD1 3.18Å; T109-D294 PolarHBondContact OG1-OD1 3.41Å; L110-D294 HydrophobicContact CB-CB 4.22Å; L110-D294 HydrophobicContact CD1-CB 4.5Å; L110-D294 PolarHBondContact N-OD1 3.29Å; L110-D294 PolarHBondContact N-OD2 2.77Å; A111-D294 WeakPolarHBondContact CB-OD1 3.49Å; A111-D294 PolarHBondContact N-OD1 2.98Å; N292-D294 VanDerWaalsContact C-N 3.33Å; N292-D294 PolarHBondContact O-N 3.23Å; D294-G296 VanDerWaalsContact C-N 3.35Å; D294-G296 PolarHBondContact O-N 3.22Å; D294-V297 WeakPolarHBondContact O-CG2 3.31Å; D294-V297 PolarHBondContact O-N 2.91Å; D294-V298 VanDerWaalsContact O-CG2 3.28Å; D294-V298 WeakPolarHBondContact O-CG2 3.47Å; D294-V298 PolarHBondContact O-N 2.86Å
295	D	98.5	Very high	98.2	Very high	82 Å²	82	32.3 Å²	32.3	44%	0.439	19%	0.186	S	C	.	.	H	α-helix	trans	-63.8	-42	177.9	-57.5	-41.9	0	0	0	111.2	W289 N292 A293 V298 K299	W289-D295 HydrophobicContact CH2-CB 3.58Å; W289-D295 HydrophobicContact CZ3-CB 4.12Å; N292-D295 VanDerWaalsContact CB-OD2 3.31Å; N292-D295 WeakPolarHBondContact CB-OD2 3.32Å; N292-D295 PolarHBondContact ND2-OD2 3.21Å; N292-D295 PolarHBondContact O-N 3.17Å; A293-D295 PolarHBondContact O-N 3.36Å; D295-V298 PolarHBondContact O-N 3.01Å; D295-K299 WeakPolarHBondContact O-CB 3.38Å; D295-K299 PolarHBondContact O-N 3.34Å
296	G	98.7	Very high	98.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.3	-40.4	178.4	0	0	0	0	0	112.9	W289 N292 A293 D294 K299 I300	W289-G296 VanDerWaalsContact CZ3-N 3.29Å; N292-G296 PolarHBondContact O-N 3.04Å; N292-G296 VanDerWaalsContact O-N 3.12Å; A293-G296 PolarHBondContact O-N 2.94Å; D294-G296 VanDerWaalsContact C-N 3.35Å; D294-G296 PolarHBondContact O-N 3.22Å; G296-K299 PolarHBondContact O-N 3.4Å; G296-I300 PolarHBondContact O-N 2.94Å
297	V	98.7	Very high	98.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-72.9	-30.7	176.9	-60.4	0	0	0	0	112.6	L110 A111 F114 M221 A293 D294 I300 S301 L310	L110-V297 HydrophobicContact CB-CG2 4.09Å; A111-V297 HydrophobicContact CB-CG1 4.37Å; A111-V297 HydrophobicContact CB-CG2 4.41Å; F114-V297 HydrophobicContact CB-CB 3.82Å; F114-V297 HydrophobicContact CB-CG1 3.96Å; F114-V297 HydrophobicContact CB-CG2 4.21Å; F114-V297 HydrophobicContact CD1-CB 4.09Å; F114-V297 HydrophobicContact CD1-CG1 3.58Å; F114-V297 HydrophobicContact CD2-CB 4.26Å; F114-V297 HydrophobicContact CE1-CG1 4.23Å; F114-V297 HydrophobicContact CG-CB 3.8Å; F114-V297 HydrophobicContact CG-CG1 3.8Å; M221-V297 HydrophobicContact SD-CG1 3.52Å; M221-V297 VanDerWaalsContact SD-CG1 3.52Å; A293-V297 PolarHBondContact O-N 3.45Å; D294-V297 WeakPolarHBondContact O-CG2 3.31Å; D294-V297 PolarHBondContact O-N 2.91Å; V297-I300 WeakPolarHBondContact O-CG2 3.48Å; V297-S301 WeakPolarHBondContact O-CB 3.34Å; V297-S301 PolarHBondContact O-N 2.72Å; V297-S301 PolarHBondContact O-OG 2.81Å; V297-L310 HydrophobicContact CG2-CD2 4.45Å
298	V	98.7	Very high	98.5	Very high	29 Å²	29	42.2 Å²	42.2	18%	0.176	24%	0.235	C	C	.	.	H	α-helix	trans	-64.2	-47.5	170.6	169.3	0	0	0	0	109.6	L110 D294 D295 I300 S301 E302 L310	L110-V298 HydrophobicContact CD1-CG2 3.72Å; D294-V298 VanDerWaalsContact O-CG2 3.28Å; D294-V298 WeakPolarHBondContact O-CG2 3.47Å; D294-V298 PolarHBondContact O-N 2.86Å; D295-V298 PolarHBondContact O-N 3.01Å; V298-I300 PolarHBondContact O-N 3.41Å; V298-S301 PolarHBondContact O-N 2.71Å; V298-E302 WeakPolarHBondContact O-CG 3.34Å; V298-E302 PolarHBondContact O-N 2.76Å; V298-L310 HydrophobicContact CG2-CD2 4.47Å
299	K	98.7	Very high	98.5	Very high	63 Å²	63	43.1 Å²	43.1	27%	0.274	24%	0.241	S	C	.	.	H	α-helix	trans	-59.6	-47.9	178.9	175.2	58.1	178.1	172.2	0	112.6	I27 E28 W289 D295 G296 S301 E302 L303	I27-K299 HydrophobicContact CD1-CG 4.22Å; I27-K299 HydrophobicContact CG2-CG 4.17Å; E28-K299 WeakPolarHBondContact OE1-CE 3.21Å; E28-K299 IonicContact OE1-NZ 2.94Å; E28-K299 PolarHBondContact OE1-NZ 3.37Å; W289-K299 HydrophobicContact CZ2-CB 4.33Å; D295-K299 WeakPolarHBondContact O-CB 3.38Å; D295-K299 PolarHBondContact O-N 3.34Å; G296-K299 PolarHBondContact O-N 3.4Å; K299-S301 VanDerWaalsContact C-N 3.31Å; K299-S301 PolarHBondContact O-N 3.17Å; K299-E302 WeakPolarHBondContact O-CB 3.48Å; K299-E302 PolarHBondContact O-N 2.79Å; K299-L303 HydrophobicContact CD-CD1 4.32Å; K299-L303 HydrophobicContact CD-CG 4.49Å; K299-L303 HydrophobicContact CG-CD1 4.43Å; K299-L303 WeakPolarHBondContact O-CG 3.21Å; K299-L303 PolarHBondContact O-N 3.42Å
300	I	98.7	Very high	98.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-67.4	-35.4	177.4	-158.3	176.7	0	0	0	111.3	I27 V30 A31 I34 F114 L244 G296 V297 V298 E302 L303 L304	I27-I300 HydrophobicContact CD1-CB 3.98Å; I27-I300 HydrophobicContact CG1-CB 4.15Å; I27-I300 HydrophobicContact CG1-CD1 4.39Å; I27-I300 HydrophobicContact CG1-CG1 4.17Å; V30-I300 HydrophobicContact CG1-CD1 4.1Å; A31-I300 HydrophobicContact CB-CG1 4.34Å; I34-I300 HydrophobicContact CD1-CD1 4.44Å; F114-I300 HydrophobicContact CD2-CG2 4.45Å; F114-I300 HydrophobicContact CE1-CG2 4.4Å; F114-I300 HydrophobicContact CE2-CG2 3.67Å; F114-I300 HydrophobicContact CZ-CG2 3.63Å; L244-I300 HydrophobicContact CD2-CD1 3.71Å; G296-I300 PolarHBondContact O-N 2.94Å; V297-I300 WeakPolarHBondContact O-CG2 3.48Å; V298-I300 PolarHBondContact O-N 3.41Å; I300-E302 VanDerWaalsContact C-N 3.34Å; I300-E302 PolarHBondContact O-N 3.19Å; I300-L303 PolarHBondContact O-N 3.5Å; I300-L304 HydrophobicContact CD1-CD1 4.39Å; I300-L304 HydrophobicContact CG1-CD1 3.9Å; I300-L304 HydrophobicContact CG1-CG 4.32Å; I300-L304 WeakPolarHBondContact O-CB 3.38Å; I300-L304 WeakPolarHBondContact O-CD1 3.44Å; I300-L304 WeakPolarHBondContact O-CG 3.22Å; I300-L304 PolarHBondContact O-N 3.21Å
301	S	98.8	Very high	98.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.9	-34.7	176.7	-60.8	0	0	0	0	112.2	F114 V297 V298 K299 L304 G305 W306 K307	F114-S301 WeakPolarHBondContact CD2-OG 3.36Å; V297-S301 WeakPolarHBondContact O-CB 3.34Å; V297-S301 PolarHBondContact O-N 2.72Å; V297-S301 PolarHBondContact O-OG 2.81Å; V298-S301 PolarHBondContact O-N 2.71Å; K299-S301 VanDerWaalsContact C-N 3.31Å; K299-S301 PolarHBondContact O-N 3.17Å; S301-L304 PolarHBondContact O-N 3.3Å; S301-G305 PolarHBondContact O-N 2.95Å; S301-G305 VanDerWaalsContact O-N 3.12Å; S301-W306 WeakPolarHBondContact O-CA 3.41Å; S301-W306 PolarHBondContact O-N 3.46Å; S301-K307 PolarHBondContact O-N 2.86Å; S301-K307 VanDerWaalsContact O-N 3.16Å
302	E	98.7	Very high	98.6	Very high	90 Å²	90	45.4 Å²	45.4	42%	0.421	24%	0.237	S	C	.	.	H	α-helix	trans	-60.2	-50.4	170.3	-79.3	173.6	168.9	0	0	111.6	V298 K299 I300 L304 G305 K307	V298-E302 WeakPolarHBondContact O-CG 3.34Å; V298-E302 PolarHBondContact O-N 2.76Å; K299-E302 WeakPolarHBondContact O-CB 3.48Å; K299-E302 PolarHBondContact O-N 2.79Å; I300-E302 VanDerWaalsContact C-N 3.34Å; I300-E302 PolarHBondContact O-N 3.19Å; E302-L304 PolarHBondContact O-N 3.46Å; E302-G305 PolarHBondContact O-N 3.29Å; E302-G305 VanDerWaalsContact O-N 3.08Å; E302-K307 HydrophobicContact CG-CB 4.1Å; E302-K307 HydrophobicContact CG-CD 3.63Å; E302-K307 HydrophobicContact CG-CG 4.19Å; E302-K307 WeakPolarHBondContact OE1-CE 3.47Å; E302-K307 IonicContact OE1-NZ 2.65Å; E302-K307 PolarHBondContact OE1-NZ 3.39Å
303	L	98.6	Very high	98.6	Very high	47 Å²	47	43.5 Å²	43.5	25%	0.246	23%	0.227	C	C	.	.	H	α-helix	trans	-61.3	-35.4	-179.9	-67.6	168.1	0	0	0	112.3	I27 E28 A31 Q35 K299 I300 G305	I27-L303 HydrophobicContact CG1-CD1 4.49Å; I27-L303 HydrophobicContact CG2-CD1 3.92Å; E28-L303 HydrophobicContact CG-CD1 4.01Å; E28-L303 HydrophobicContact CG-CD2 3.89Å; A31-L303 HydrophobicContact CB-CB 3.47Å; A31-L303 VanDerWaalsContact CB-CB 3.47Å; A31-L303 HydrophobicContact CB-CD1 4.12Å; A31-L303 HydrophobicContact CB-CG 4.41Å; Q35-L303 PolarHBondContact NE2-O 2.85Å; K299-L303 HydrophobicContact CD-CD1 4.32Å; K299-L303 HydrophobicContact CD-CG 4.49Å; K299-L303 HydrophobicContact CG-CD1 4.43Å; K299-L303 WeakPolarHBondContact O-CG 3.21Å; K299-L303 PolarHBondContact O-N 3.42Å; I300-L303 PolarHBondContact O-N 3.5Å; L303-G305 VanDerWaalsContact C-N 3.33Å
304	L	98.4	Very high	98.6	Very high	9 Å²	9	45.2 Å²	45.2	5%	0.047	23%	0.234	C	C	.	.	H	α-helix	trans	-80.1	-10.8	178.3	-66.8	169.2	0	0	0	113.8	A31 I34 Q35 I300 S301 E302 W306	A31-L304 HydrophobicContact CB-CD2 3.98Å; A31-L304 HydrophobicContact CB-CG 4.16Å; A31-L304 WeakPolarHBondContact O-CD2 3.36Å; I34-L304 HydrophobicContact CB-CD2 3.75Å; I34-L304 HydrophobicContact CD1-CD1 4.19Å; I34-L304 HydrophobicContact CD1-CD2 4.2Å; I34-L304 HydrophobicContact CG2-CD2 3.73Å; Q35-L304 HydrophobicContact CG-CD2 3.98Å; I300-L304 HydrophobicContact CD1-CD1 4.39Å; I300-L304 HydrophobicContact CG1-CD1 3.9Å; I300-L304 HydrophobicContact CG1-CG 4.32Å; I300-L304 WeakPolarHBondContact O-CB 3.38Å; I300-L304 WeakPolarHBondContact O-CD1 3.44Å; I300-L304 WeakPolarHBondContact O-CG 3.22Å; I300-L304 PolarHBondContact O-N 3.21Å; S301-L304 PolarHBondContact O-N 3.3Å; E302-L304 PolarHBondContact O-N 3.46Å; L304-W306 VanDerWaalsContact C-N 3.34Å; L304-W306 HydrophobicContact CB-CB 4.37Å; L304-W306 HydrophobicContact CB-CD2 3.66Å; L304-W306 HydrophobicContact CB-CE3 4.1Å; L304-W306 HydrophobicContact CB-CG 3.81Å; L304-W306 HydrophobicContact CB-CZ2 4.35Å; L304-W306 HydrophobicContact CD1-CD2 4.05Å; L304-W306 HydrophobicContact CD1-CE3 3.59Å; L304-W306 HydrophobicContact CD1-CH2 3.88Å; L304-W306 HydrophobicContact CD1-CZ2 4.33Å; L304-W306 HydrophobicContact CD1-CZ3 3.51Å; L304-W306 HydrophobicContact CD2-CZ2 4.42Å; L304-W306 HydrophobicContact CG-CD2 4.43Å; L304-W306 HydrophobicContact CG-CE3 4.45Å; L304-W306 PolarHBondContact O-NE1 3.48Å
305	G	98.4	Very high	98.6	Very high	64 Å²	64	51.8 Å²	51.8	66%	0.66	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	24.7	-171.5	0	0	0	0	0	113.7	S301 E302 L303	S301-G305 PolarHBondContact O-N 2.95Å; S301-G305 VanDerWaalsContact O-N 3.12Å; E302-G305 PolarHBondContact O-N 3.29Å; E302-G305 VanDerWaalsContact O-N 3.08Å; L303-G305 VanDerWaalsContact C-N 3.33Å
306	W	98.7	Very high	98.6	Very high	38 Å²	38	53.2 Å²	53.2	14%	0.144	27%	0.265	C	S	.	.			trans	-110	3	-176.1	-59.6	-6.2	0	0	0	113.8	I34 F114 L117 L118 K121 L123 S301 L304 D308 D309 L310	I34-W306 HydrophobicContact CG2-CH2 3.77Å; I34-W306 HydrophobicContact CG2-CZ2 4.08Å; F114-W306 HydrophobicContact CE2-CE3 4.49Å; L117-W306 HydrophobicContact CD2-CB 4.11Å; L117-W306 HydrophobicContact CD2-CE3 4.4Å; L118-W306 HydrophobicContact CD2-CH2 4.44Å; L118-W306 HydrophobicContact CD2-CZ3 3.8Å; K121-W306 HydrophobicContact CD-CD2 3.42Å; K121-W306 VanDerWaalsContact CD-CD2 3.42Å; K121-W306 HydrophobicContact CD-CE3 3.53Å; K121-W306 HydrophobicContact CD-CG 4.17Å; K121-W306 HydrophobicContact CD-CH2 3.57Å; K121-W306 HydrophobicContact CD-CZ2 3.44Å; K121-W306 VanDerWaalsContact CD-CZ2 3.44Å; K121-W306 HydrophobicContact CD-CZ3 3.59Å; K121-W306 VanDerWaalsContact CE-CG 3.42Å; K121-W306 VanDerWaalsContact NZ-CG 3.34Å; L123-W306 HydrophobicContact CD1-CH2 3.43Å; L123-W306 VanDerWaalsContact CD1-CH2 3.43Å; L123-W306 HydrophobicContact CD1-CZ2 4.17Å; L123-W306 HydrophobicContact CD1-CZ3 4.32Å; S301-W306 WeakPolarHBondContact O-CA 3.41Å; S301-W306 PolarHBondContact O-N 3.46Å; L304-W306 VanDerWaalsContact C-N 3.34Å; L304-W306 HydrophobicContact CB-CB 4.37Å; L304-W306 HydrophobicContact CB-CD2 3.66Å; L304-W306 HydrophobicContact CB-CE3 4.1Å; L304-W306 HydrophobicContact CB-CG 3.81Å; L304-W306 HydrophobicContact CB-CZ2 4.35Å; L304-W306 HydrophobicContact CD1-CD2 4.05Å; L304-W306 HydrophobicContact CD1-CE3 3.59Å; L304-W306 HydrophobicContact CD1-CH2 3.88Å; L304-W306 HydrophobicContact CD1-CZ2 4.33Å; L304-W306 HydrophobicContact CD1-CZ3 3.51Å; L304-W306 HydrophobicContact CD2-CZ2 4.42Å; L304-W306 HydrophobicContact CG-CD2 4.43Å; L304-W306 HydrophobicContact CG-CE3 4.45Å; L304-W306 PolarHBondContact O-NE1 3.48Å; W306-D308 VanDerWaalsContact C-N 3.3Å; W306-D308 PolarHBondContact O-N 2.8Å; W306-D309 WeakPolarHBondContact O-CB 3.24Å; W306-D309 PolarHBondContact O-N 2.97Å; W306-D309 VanDerWaalsContact O-N 3.15Å; W306-L310 PolarHBondContact O-N 3.12Å
307	K	98.6	Very high	98.6	Very high	75 Å²	75	53.5 Å²	53.5	33%	0.326	27%	0.266	S	S	.	.	H	α-helix	trans	-54.7	-46.2	-178.1	-173.7	-173.1	-171.5	164.5	0	111.9	S301 E302 D309 L310 L311	S301-K307 PolarHBondContact O-N 2.86Å; S301-K307 VanDerWaalsContact O-N 3.16Å; E302-K307 HydrophobicContact CG-CB 4.1Å; E302-K307 HydrophobicContact CG-CD 3.63Å; E302-K307 HydrophobicContact CG-CG 4.19Å; E302-K307 WeakPolarHBondContact OE1-CE 3.47Å; E302-K307 IonicContact OE1-NZ 2.65Å; E302-K307 PolarHBondContact OE1-NZ 3.39Å; K307-D309 VanDerWaalsContact C-N 3.34Å; K307-D309 PolarHBondContact O-N 3.2Å; K307-L310 WeakPolarHBondContact O-CB 3.21Å; K307-L310 PolarHBondContact O-N 3.04Å; K307-L311 HydrophobicContact CG-CD1 4.13Å; K307-L311 HydrophobicContact CG-CG 4.42Å; K307-L311 WeakPolarHBondContact O-CG 3.45Å; K307-L311 PolarHBondContact O-N 3.43Å
308	D	98.7	Very high	98.5	Very high	121 Å²	121	55.3 Å²	55.3	65%	0.647	28%	0.276	S	S	*	.	H	α-helix	trans	-67.3	-36.3	-179.4	-66.1	-20.8	0	0	0	112.1	W306 R312	W306-D308 VanDerWaalsContact C-N 3.3Å; W306-D308 PolarHBondContact O-N 2.8Å; D308-R312 WeakPolarHBondContact O-CB 3.41Å; D308-R312 PolarHBondContact O-N 2.91Å
309	D	98.7	Very high	98.5	Very high	42 Å²	42	56.7 Å²	56.7	23%	0.225	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-43.9	172.7	-67.4	-20.7	0	0	0	111.4	L117 K121 W306 K307 R312 L313	L117-D309 HydrophobicContact CD1-CB 4.02Å; L117-D309 HydrophobicContact CD2-CB 4.06Å; K121-D309 IonicContact NZ-OD2 3.88Å; K121-D309 PolarHBondContact NZ-OD2 2.82Å; W306-D309 WeakPolarHBondContact O-CB 3.24Å; W306-D309 PolarHBondContact O-N 2.97Å; W306-D309 VanDerWaalsContact O-N 3.15Å; K307-D309 VanDerWaalsContact C-N 3.34Å; K307-D309 PolarHBondContact O-N 3.2Å; D309-R312 PolarHBondContact O-N 2.92Å; D309-R312 IonicContact OD1-CZ 2.7Å; D309-R312 IonicContact OD1-NH1 2.78Å; D309-R312 PolarHBondContact OD1-NH1 2.94Å; D309-R312 IonicContact OD1-NH2 2.65Å; D309-R312 PolarHBondContact OD1-NH2 3.23Å; D309-L313 VanDerWaalsContact O-CB 3.28Å; D309-L313 WeakPolarHBondContact O-CB 3.43Å; D309-L313 PolarHBondContact O-N 3.42Å
310	L	98.8	Very high	98.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.6	-48.5	178.8	177.8	63.5	0	0	0	111.5	L110 C113 F114 L117 V297 V298 W306 K307 R312 L313 K314	L110-L310 HydrophobicContact CB-CD2 4.49Å; L110-L310 HydrophobicContact CD2-CD2 4.39Å; L110-L310 HydrophobicContact CD2-CG 4.14Å; C113-L310 HydrophobicContact CB-CD1 3.75Å; F114-L310 HydrophobicContact CB-CD1 3.97Å; L117-L310 HydrophobicContact CD2-CB 4.04Å; V297-L310 HydrophobicContact CG2-CD2 4.45Å; V298-L310 HydrophobicContact CG2-CD2 4.47Å; W306-L310 PolarHBondContact O-N 3.12Å; K307-L310 WeakPolarHBondContact O-CB 3.21Å; K307-L310 PolarHBondContact O-N 3.04Å; L310-R312 VanDerWaalsContact C-N 3.35Å; L310-L313 PolarHBondContact O-N 3.47Å; L310-K314 WeakPolarHBondContact O-CB 3.17Å; L310-K314 PolarHBondContact O-N 2.67Å
311	L	98.7	Very high	98.3	Very high	77 Å²	77	58.5 Å²	58.5	40%	0.403	29%	0.293	S	S	.	.	H	α-helix	trans	-66.3	-38.4	179.9	-66.7	179.1	0	0	0	111.7	L110 K307 K314 K315	L110-L311 HydrophobicContact CD2-CD2 4.07Å; K307-L311 HydrophobicContact CG-CD1 4.13Å; K307-L311 HydrophobicContact CG-CG 4.42Å; K307-L311 WeakPolarHBondContact O-CG 3.45Å; K307-L311 PolarHBondContact O-N 3.43Å; L311-K314 PolarHBondContact O-N 3.39Å; L311-K315 WeakPolarHBondContact O-CB 3.19Å; L311-K315 PolarHBondContact O-N 2.93Å
312	R	98.7	Very high	98.1	Very high	126 Å²	126	61.9 Å²	61.9	48%	0.475	31%	0.311	S	S	.	.	H	α-helix	trans	-63	-49.8	174.1	-176.3	174.1	68	-107.4	0.7	111.1	D308 D309 L310 K314 K315 E316	D308-R312 WeakPolarHBondContact O-CB 3.41Å; D308-R312 PolarHBondContact O-N 2.91Å; D309-R312 PolarHBondContact O-N 2.92Å; D309-R312 IonicContact OD1-CZ 2.7Å; D309-R312 IonicContact OD1-NH1 2.78Å; D309-R312 PolarHBondContact OD1-NH1 2.94Å; D309-R312 IonicContact OD1-NH2 2.65Å; D309-R312 PolarHBondContact OD1-NH2 3.23Å; L310-R312 VanDerWaalsContact C-N 3.35Å; R312-K314 VanDerWaalsContact C-N 3.31Å; R312-K314 PolarHBondContact O-N 2.99Å; R312-K315 PolarHBondContact O-N 2.75Å; R312-K315 VanDerWaalsContact O-N 3.13Å; R312-E316 HydrophobicContact CG-CG 4.45Å; R312-E316 VanDerWaalsContact CG-OE1 3.29Å; R312-E316 WeakPolarHBondContact CG-OE1 3.46Å; R312-E316 WeakPolarHBondContact O-CG 3.26Å; R312-E316 PolarHBondContact O-N 3.21Å
313	L	98.6	Very high	97.9	Very high	21 Å²	21	63.4 Å²	63.4	11%	0.11	32%	0.318	C	S	.	.	H	α-helix	trans	-59.1	-41	177.6	177.8	61.3	0	0	0	112	C113 R116 L117 D309 L310 T317	C113-L313 HydrophobicContact CB-CD2 4.26Å; C113-L313 HydrophobicContact CB-CG 4.38Å; C113-L313 VanDerWaalsContact O-CD2 3.27Å; C113-L313 WeakPolarHBondContact O-CD2 3.44Å; R116-L313 HydrophobicContact CB-CD2 4.1Å; R116-L313 HydrophobicContact CG-CD1 4.39Å; R116-L313 HydrophobicContact CG-CD2 3.86Å; L117-L313 HydrophobicContact CB-CD2 4.01Å; L117-L313 HydrophobicContact CD1-CD2 4.47Å; D309-L313 VanDerWaalsContact O-CB 3.28Å; D309-L313 WeakPolarHBondContact O-CB 3.43Å; D309-L313 PolarHBondContact O-N 3.42Å; L310-L313 PolarHBondContact O-N 3.47Å; L313-T317 VanDerWaalsContact O-CB 3.24Å; L313-T317 WeakPolarHBondContact O-CB 3.49Å; L313-T317 PolarHBondContact O-N 3.31Å; L313-T317 PolarHBondContact O-OG1 2.94Å
314	K	98.6	Very high	97.5	Very high	39 Å²	39	65.7 Å²	65.7	17%	0.17	33%	0.328	C	S	.	.	H	α-helix	trans	-60.2	-47.9	174.2	179.4	65.3	170.5	91.4	0	111.7	P108 L110 L310 L311 R312 T317 D318	P108-K314 WeakPolarHBondContact O-CD 3.17Å; P108-K314 WeakPolarHBondContact O-CE 3.29Å; P108-K314 PolarHBondContact O-NZ 3.39Å; P108-K314 VanDerWaalsContact O-NZ 3.16Å; L110-K314 HydrophobicContact CD2-CB 3.92Å; L110-K314 HydrophobicContact CD2-CD 4.34Å; L110-K314 HydrophobicContact CD2-CG 3.9Å; L310-K314 WeakPolarHBondContact O-CB 3.17Å; L310-K314 PolarHBondContact O-N 2.67Å; L311-K314 PolarHBondContact O-N 3.39Å; R312-K314 VanDerWaalsContact C-N 3.31Å; R312-K314 PolarHBondContact O-N 2.99Å; K314-T317 PolarHBondContact O-N 3.35Å; K314-D318 IonicContact NZ-OD1 3.42Å; K314-D318 PolarHBondContact NZ-OD1 3.32Å; K314-D318 IonicContact NZ-OD2 2.62Å; K314-D318 PolarHBondContact NZ-OD2 3.29Å; K314-D318 WeakPolarHBondContact O-CB 3.42Å; K314-D318 PolarHBondContact O-N 2.99Å
315	K	98.4	Very high	97.1	Very high	164 Å²	164	68.3 Å²	68.3	71%	0.713	34%	0.339	S	S	*	.	H	α-helix	trans	-62.8	-44.9	179.6	-176.6	-179.2	176.8	-177	0	112.1	L311 R312 D318 S319	L311-K315 WeakPolarHBondContact O-CB 3.19Å; L311-K315 PolarHBondContact O-N 2.93Å; R312-K315 PolarHBondContact O-N 2.75Å; R312-K315 VanDerWaalsContact O-N 3.13Å; K315-D318 PolarHBondContact O-N 3.49Å; K315-S319 PolarHBondContact O-N 2.82Å
316	E	98.3	Very high	96.6	Very high	112 Å²	112	70.9 Å²	70.9	52%	0.523	34%	0.337	S	S	.	.	H	α-helix	trans	-64.2	-44	178	-72.2	170.5	-179	0	0	111.5	R312 S319 R320	R312-E316 HydrophobicContact CG-CG 4.45Å; R312-E316 VanDerWaalsContact CG-OE1 3.29Å; R312-E316 WeakPolarHBondContact CG-OE1 3.46Å; R312-E316 WeakPolarHBondContact O-CG 3.26Å; R312-E316 PolarHBondContact O-N 3.21Å; E316-S319 PolarHBondContact O-N 3.17Å; E316-R320 WeakPolarHBondContact O-CB 3.27Å; E316-R320 PolarHBondContact O-N 2.7Å
317	T	98.1	Very high	96.2	Very high	5 Å²	5	71.2 Å²	71.2	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-59.7	-47.2	175.5	-61.3	0	0	0	0	111.1	P108 L313 K314 S319 R320 L321	P108-T317 HydrophobicContact CB-CG2 4.44Å; P108-T317 HydrophobicContact CG-CG2 3.92Å; L313-T317 VanDerWaalsContact O-CB 3.24Å; L313-T317 WeakPolarHBondContact O-CB 3.49Å; L313-T317 PolarHBondContact O-N 3.31Å; L313-T317 PolarHBondContact O-OG1 2.94Å; K314-T317 PolarHBondContact O-N 3.35Å; T317-S319 PolarHBondContact O-N 3.02Å; T317-R320 PolarHBondContact O-N 3.22Å; T317-L321 HydrophobicContact CG2-CD1 3.89Å; T317-L321 HydrophobicContact CG2-CG 4.46Å; T317-L321 WeakPolarHBondContact O-CB 3.42Å; T317-L321 VanDerWaalsContact O-CG 3.29Å; T317-L321 WeakPolarHBondContact O-CG 3.46Å; T317-L321 PolarHBondContact O-N 3.02Å
318	D	97.7	Very high	95.5	Very high	38 Å²	38	71.7 Å²	71.7	20%	0.203	35%	0.35	C	S	.	.	H	α-helix	trans	-64.6	-39.8	179.1	-75.7	-2.3	0	0	0	112.7	K107 K314 K315 N322	K107-D318 HydrophobicContact CD-CB 4.22Å; K107-D318 WeakPolarHBondContact CD-OD1 3.49Å; K314-D318 IonicContact NZ-OD1 3.42Å; K314-D318 PolarHBondContact NZ-OD1 3.32Å; K314-D318 IonicContact NZ-OD2 2.62Å; K314-D318 PolarHBondContact NZ-OD2 3.29Å; K314-D318 WeakPolarHBondContact O-CB 3.42Å; K314-D318 PolarHBondContact O-N 2.99Å; K315-D318 PolarHBondContact O-N 3.49Å; D318-N322 WeakPolarHBondContact O-CB 3.3Å; D318-N322 PolarHBondContact O-N 2.93Å; D318-N322 PolarHBondContact O-ND2 2.79Å; D318-N322 VanDerWaalsContact O-ND2 3.12Å
319	S	97.6	Very high	94.7	Very high	58 Å²	58	71.1 Å²	71.1	41%	0.406	34%	0.342	S	S	.	.	H	α-helix	trans	-62	-50.2	176.5	-162.6	0	0	0	0	110.6	K315 E316 T317 L321 N322 E323	K315-S319 PolarHBondContact O-N 2.82Å; E316-S319 PolarHBondContact O-N 3.17Å; T317-S319 PolarHBondContact O-N 3.02Å; S319-L321 PolarHBondContact O-N 2.93Å; S319-N322 WeakPolarHBondContact O-CB 3.29Å; S319-N322 PolarHBondContact O-N 2.9Å; S319-E323 WeakPolarHBondContact O-CG 3.27Å; S319-E323 PolarHBondContact O-N 2.97Å; S319-E323 PolarHBondContact OG-OE1 3.4Å
320	R	97	Very high	93.9	Very high	88 Å²	88	72.2 Å²	72.2	33%	0.332	35%	0.353	S	S	.	.	H	α-helix	trans	-58.1	-47.2	178	178.4	179.5	55.4	71.1	2.4	111.8	L138 E316 T317 N322 E323 E324	L138-R320 PolarHBondContact O-NH2 3.44Å; E316-R320 WeakPolarHBondContact O-CB 3.27Å; E316-R320 PolarHBondContact O-N 2.7Å; T317-R320 PolarHBondContact O-N 3.22Å; R320-N322 VanDerWaalsContact C-N 3.33Å; R320-N322 PolarHBondContact O-N 2.73Å; R320-E323 PolarHBondContact O-N 3.06Å; R320-E324 WeakPolarHBondContact CD-OE1 3.27Å; R320-E324 HydrophobicContact CG-CG 4.48Å; R320-E324 WeakPolarHBondContact CG-OE1 3.48Å; R320-E324 IonicContact CZ-OE1 2.67Å; R320-E324 IonicContact NH1-OE1 2.8Å; R320-E324 PolarHBondContact NH1-OE1 3.42Å; R320-E324 IonicContact NH1-OE2 3.75Å; R320-E324 WeakPolarHBondContact O-CG 3.31Å; R320-E324 PolarHBondContact O-N 3.47Å
321	L	95.8	Very high	92.9	Very high	15 Å²	15	77.7 Å²	77.7	8%	0.079	38%	0.378	C	S	.	.	H	α-helix	trans	-66.2	-34	179.5	-69.1	173.8	0	0	0	112.5	K107 P108 L138 T317 S319 F325	K107-L321 HydrophobicContact CB-CD1 4.35Å; K107-L321 HydrophobicContact CG-CD1 4.07Å; P108-L321 HydrophobicContact CG-CD1 4.13Å; L138-L321 HydrophobicContact CB-CD1 4.12Å; L138-L321 HydrophobicContact CB-CD2 4.18Å; L138-L321 HydrophobicContact CD2-CD2 3.92Å; T317-L321 HydrophobicContact CG2-CD1 3.89Å; T317-L321 HydrophobicContact CG2-CG 4.46Å; T317-L321 WeakPolarHBondContact O-CB 3.42Å; T317-L321 VanDerWaalsContact O-CG 3.29Å; T317-L321 WeakPolarHBondContact O-CG 3.46Å; T317-L321 PolarHBondContact O-N 3.02Å; S319-L321 PolarHBondContact O-N 2.93Å; L321-F325 WeakPolarHBondContact O-CB 3.34Å; L321-F325 PolarHBondContact O-N 3.37Å
322	N	94.8	Very high	91.9	Very high	71 Å²	71	78.6 Å²	78.6	38%	0.38	38%	0.384	S	S	.	.	H	α-helix	trans	-63.3	-44	173	-76.7	-31.3	0	0	0	111.6	K107 D318 S319 R320 F325 L326	K107-N322 VanDerWaalsContact CE-OD1 3.26Å; K107-N322 WeakPolarHBondContact CE-OD1 3.38Å; K107-N322 PolarHBondContact NZ-OD1 3.25Å; D318-N322 WeakPolarHBondContact O-CB 3.3Å; D318-N322 PolarHBondContact O-N 2.93Å; D318-N322 PolarHBondContact O-ND2 2.79Å; D318-N322 VanDerWaalsContact O-ND2 3.12Å; S319-N322 WeakPolarHBondContact O-CB 3.29Å; S319-N322 PolarHBondContact O-N 2.9Å; R320-N322 VanDerWaalsContact C-N 3.33Å; R320-N322 PolarHBondContact O-N 2.73Å; N322-F325 PolarHBondContact O-N 2.87Å; N322-L326 WeakPolarHBondContact O-CB 3.26Å; N322-L326 VanDerWaalsContact O-CG 3.26Å; N322-L326 WeakPolarHBondContact O-CG 3.47Å; N322-L326 PolarHBondContact O-N 3.1Å
323	E	94.4	Very high	90.5	Very high	121 Å²	121	80.4 Å²	80.4	57%	0.565	40%	0.395	S	S	*	.	H	α-helix	trans	-64	-47.5	177.7	-70.3	165.3	-152.5	0	0	111.3	S319 R320 F325 L326 A327	S319-E323 WeakPolarHBondContact O-CG 3.27Å; S319-E323 PolarHBondContact O-N 2.97Å; S319-E323 PolarHBondContact OG-OE1 3.4Å; R320-E323 PolarHBondContact O-N 3.06Å; E323-F325 VanDerWaalsContact C-N 3.33Å; E323-F325 PolarHBondContact O-N 3.26Å; E323-L326 PolarHBondContact O-N 3.19Å; E323-A327 WeakPolarHBondContact O-CB 3.4Å; E323-A327 PolarHBondContact O-N 3.29Å
324	E	91.3	Very high	89	Confident	95 Å²	95	83.8 Å²	83.8	44%	0.444	42%	0.416	S	S	.	.	H	α-helix	trans	-58.1	-44	175.3	-72.1	171.7	-163.8	0	0	111.7	R320 A327 K328	R320-E324 WeakPolarHBondContact CD-OE1 3.27Å; R320-E324 HydrophobicContact CG-CG 4.48Å; R320-E324 WeakPolarHBondContact CG-OE1 3.48Å; R320-E324 IonicContact CZ-OE1 2.67Å; R320-E324 IonicContact NH1-OE1 2.8Å; R320-E324 PolarHBondContact NH1-OE1 3.42Å; R320-E324 IonicContact NH1-OE2 3.75Å; R320-E324 WeakPolarHBondContact O-CG 3.31Å; R320-E324 PolarHBondContact O-N 3.47Å; E324-A327 PolarHBondContact O-N 2.83Å; E324-K328 PolarHBondContact O-N 3.24Å
325	F	88.3	Confident	87.4	Confident	65 Å²	65	88.2 Å²	88.2	29%	0.285	44%	0.442	S	S	.	.	H	α-helix	trans	-66.3	-41	178.9	-178.5	-105.5	0	0	0	112.9	P104 L321 N322 E323 K328 K329	P104-F325 HydrophobicContact CB-CE2 4.48Å; L321-F325 WeakPolarHBondContact O-CB 3.34Å; L321-F325 PolarHBondContact O-N 3.37Å; N322-F325 PolarHBondContact O-N 2.87Å; E323-F325 VanDerWaalsContact C-N 3.33Å; E323-F325 PolarHBondContact O-N 3.26Å; F325-K328 PolarHBondContact O-N 3.34Å; F325-K329 HydrophobicContact CD1-CD 4.25Å; F325-K329 HydrophobicContact CE1-CD 3.76Å; F325-K329 HydrophobicContact CZ-CD 4.04Å; F325-K329 VanDerWaalsContact CZ-NZ 3.33Å; F325-K329 PolarHBondContact O-N 3.25Å
326	L	89.5	Confident	85.2	Confident	117 Å²	117	83.7 Å²	83.7	61%	0.613	44%	0.442	S	S	*	.	H	α-helix	trans	-66.2	-38.6	175.3	-72.1	172.3	0	0	0	111.6	N322 E323 K329 S330	N322-L326 WeakPolarHBondContact O-CB 3.26Å; N322-L326 VanDerWaalsContact O-CG 3.26Å; N322-L326 WeakPolarHBondContact O-CG 3.47Å; N322-L326 PolarHBondContact O-N 3.1Å; E323-L326 PolarHBondContact O-N 3.19Å; L326-K329 PolarHBondContact O-N 2.87Å; L326-S330 PolarHBondContact O-N 3.35Å
327	A	89.4	Confident	82.6	Confident	46 Å²	46	89.2 Å²	89.2	38%	0.38	47%	0.468	S	S	.	.	H	α-helix	trans	-65.9	-41.6	175.4	0	0	0	0	0	112.4	E323 E324 S330 Q331	E323-A327 WeakPolarHBondContact O-CB 3.4Å; E323-A327 PolarHBondContact O-N 3.29Å; E324-A327 PolarHBondContact O-N 2.83Å; A327-S330 PolarHBondContact O-N 3.05Å; A327-S330 PolarHBondContact O-OG 3.43Å; A327-Q331 WeakPolarHBondContact O-CG 3.4Å; A327-Q331 PolarHBondContact O-N 2.98Å; A327-Q331 VanDerWaalsContact O-N 3.16Å
328	K	85.1	Confident	81.8	Confident	84 Å²	84	93.5 Å²	93.5	37%	0.365	49%	0.49	S	S	.	.	H	α-helix	trans	-62.6	-44.3	174.6	-168.9	173.4	-176.4	174.4	0	111.1	E168 E324 F325 S330 Q331 D332	E168-K328 IonicContact OE1-NZ 2.79Å; E168-K328 PolarHBondContact OE1-NZ 2.62Å; E168-K328 IonicContact OE2-NZ 3.83Å; E324-K328 PolarHBondContact O-N 3.24Å; F325-K328 PolarHBondContact O-N 3.34Å; K328-S330 VanDerWaalsContact C-N 3.32Å; K328-S330 PolarHBondContact O-N 3.24Å; K328-Q331 PolarHBondContact O-N 3.36Å; K328-D332 PolarHBondContact O-N 3.16Å
329	K	81.5	Confident	81	Confident	109 Å²	109	96.4 Å²	96.4	47%	0.474	51%	0.505	S	S	.	.	H	α-helix	trans	-62.8	-33.1	177.1	-83.1	-173	168.4	178	0	114.1	F325 L326 K333	F325-K329 HydrophobicContact CD1-CD 4.25Å; F325-K329 HydrophobicContact CE1-CD 3.76Å; F325-K329 HydrophobicContact CZ-CD 4.04Å; F325-K329 VanDerWaalsContact CZ-NZ 3.33Å; F325-K329 PolarHBondContact O-N 3.25Å; L326-K329 PolarHBondContact O-N 2.87Å; K329-K333 WeakPolarHBondContact O-CG 3.4Å; K329-K333 PolarHBondContact O-N 3.49Å
330	S	81.8	Confident	80	Confident	65 Å²	65	98.5 Å²	98.5	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-72.9	-38.8	176.2	63.4	0	0	0	0	111.5	L326 A327 K328 K333 T334	L326-S330 PolarHBondContact O-N 3.35Å; A327-S330 PolarHBondContact O-N 3.05Å; A327-S330 PolarHBondContact O-OG 3.43Å; K328-S330 VanDerWaalsContact C-N 3.32Å; K328-S330 PolarHBondContact O-N 3.24Å; S330-K333 PolarHBondContact O-N 3.15Å; S330-T334 PolarHBondContact O-N 2.86Å; S330-T334 VanDerWaalsContact O-N 3.15Å; S330-T334 PolarHBondContact O-OG1 3.2Å
331	Q	78.1	Confident	79	Confident	116 Å²	116	99.1 Å²	99.1	54%	0.542	52%	0.521	S	S	.	.	H	α-helix	trans	-64.2	-42.1	175.1	-70.9	177.3	-6.2	0	0	112.9	A327 K328 K333 T334 N335	A327-Q331 WeakPolarHBondContact O-CG 3.4Å; A327-Q331 PolarHBondContact O-N 2.98Å; A327-Q331 VanDerWaalsContact O-N 3.16Å; K328-Q331 PolarHBondContact O-N 3.36Å; Q331-K333 VanDerWaalsContact C-N 3.27Å; Q331-K333 PolarHBondContact O-N 2.98Å; Q331-T334 WeakPolarHBondContact CA-OG1 3.48Å; Q331-T334 PolarHBondContact O-N 3.38Å; Q331-T334 PolarHBondContact O-OG1 3.15Å; Q331-N335 WeakPolarHBondContact O-CB 3.42Å; Q331-N335 PolarHBondContact O-N 3.38Å; Q331-N335 PolarHBondContact O-ND2 3.32Å
332	D	76.7	Confident	78	Confident	96 Å²	96	104.4 Å²	104.4	51%	0.513	55%	0.549	S	S	.	.	H	α-helix	trans	-64.4	-33.7	177.5	-68.8	-21.1	0	0	0	111.6	K328 G336	K328-D332 PolarHBondContact O-N 3.16Å; D332-G336 PolarHBondContact O-N 3.36Å; D332-G336 VanDerWaalsContact O-N 3.15Å
333	K	70.2	Confident	76.9	Confident	163 Å²	163	106.6 Å²	106.6	71%	0.709	56%	0.56	S	S	*	*	H	α-helix	trans	-69.7	-34.9	174.2	-76.3	-179.7	179.1	-175.3	0	113.1	K329 S330 Q331	K329-K333 WeakPolarHBondContact O-CG 3.4Å; K329-K333 PolarHBondContact O-N 3.49Å; S330-K333 PolarHBondContact O-N 3.15Å; Q331-K333 VanDerWaalsContact C-N 3.27Å; Q331-K333 PolarHBondContact O-N 2.98Å
334	T	66.7	Low	75.6	Confident	92 Å²	92	105.6 Å²	105.6	56%	0.564	56%	0.56	S	S	*	*	H	α-helix	trans	-78.5	-30.3	178.8	51	0	0	0	0	113	S330 Q331	S330-T334 PolarHBondContact O-N 2.86Å; S330-T334 VanDerWaalsContact O-N 3.15Å; S330-T334 PolarHBondContact O-OG1 3.2Å; Q331-T334 WeakPolarHBondContact CA-OG1 3.48Å; Q331-T334 PolarHBondContact O-N 3.38Å; Q331-T334 PolarHBondContact O-OG1 3.15Å
335	N	64.1	Low	74.4	Confident	132 Å²	132	106.4 Å²	106.4	71%	0.706	57%	0.569	S	S	*	*	H	α-helix	trans	-87.2	-14.7	179.3	-67.4	-18.1	0	0	0	113.5	Q331	Q331-N335 WeakPolarHBondContact O-CB 3.42Å; Q331-N335 PolarHBondContact O-N 3.38Å; Q331-N335 PolarHBondContact O-ND2 3.32Å
336	G	52.8	Low	73.3	Confident	70 Å²	70	109.8 Å²	109.8	72%	0.722	59%	0.592	S	S	*	*			trans	-91	1	177.3	0	0	0	0	0	115.1	D332	D332-G336 PolarHBondContact O-N 3.36Å; D332-G336 VanDerWaalsContact O-N 3.15Å
337	Q	43.4	Very low	71.8	Confident	228 Å²	228	109.2 Å²	109.2	100%	1.065	59%	0.59	S	S	*	*			trans	-106	0	168.7	-68.7	-177	-5.5	0	0	108.8

Retrieved 337 of 337 residues in 197.4 ms (Link to these results)

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