A0A096MKR0_PAPAN Loading...

Aminoacyl tRNA synthetase complex interacting multifunctional protein 1

AlphaFold DB , UniProt , Accession A0A096MKR0, Species PAPAN (Papio anubis, Olive baboon), Gene AIMP1, Length 321 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	56.1	Low	57.7	Low	187 Å²	187	125.6 Å²	125.6	92%	0.921	64%	0.644	S	S	*	*				0	-60.2	0	-80.7	-73.6	-139.4	0	0	113.4
2	I	56.7	Low	58.4	Low	133 Å²	133	124.9 Å²	124.9	68%	0.682	64%	0.642	S	S	*	*	H	α-helix	trans	-66.4	-46.9	-172.8	-63	169	0	0	0	112.9	C4 R5 L6	I2-C4 PolarHBondContact O-N 3.06Å; I2-R5 PolarHBondContact O-N 3.44Å; I2-R5 VanDerWaalsContact O-N 3.09Å; I2-L6 HydrophobicContact CG2-CD1 4.08Å; I2-L6 PolarHBondContact O-N 2.86Å
3	F	52.9	Low	59.5	Low	167 Å²	167	123.2 Å²	123.2	73%	0.732	64%	0.635	S	S	*	*	H	α-helix	trans	-57.4	-42.2	-179	-113.3	-95.4	0	0	0	113.9	R5 L6 L7	F3-R5 VanDerWaalsContact C-N 3.28Å; F3-R5 PolarHBondContact O-N 3.05Å; F3-L6 PolarHBondContact O-N 3.48Å; F3-L7 PolarHBondContact O-N 3.1Å; F3-L7 VanDerWaalsContact O-N 3.12Å
4	C	56.1	Low	60.8	Low	91 Å²	91	120 Å²	120	62%	0.615	62%	0.62	S	S	*	*	H	α-helix	trans	-63.8	-32.4	178.3	-49.1	0	0	0	0	112.5	I2 A8	I2-C4 PolarHBondContact O-N 3.06Å; C4-A8 WeakPolarHBondContact O-CB 3.42Å; C4-A8 PolarHBondContact O-N 3.26Å; C4-A8 VanDerWaalsContact O-N 3.13Å
5	R	57.8	Low	62.2	Low	192 Å²	192	115.8 Å²	115.8	73%	0.725	61%	0.61	S	S	*	*	H	α-helix	trans	-72.3	-31.8	176.5	-69.9	-175.1	176.2	-172.8	-1.3	112.5	I2 F3 K9	I2-R5 PolarHBondContact O-N 3.44Å; I2-R5 VanDerWaalsContact O-N 3.09Å; F3-R5 VanDerWaalsContact C-N 3.28Å; F3-R5 PolarHBondContact O-N 3.05Å; R5-K9 WeakPolarHBondContact O-CB 3.38Å; R5-K9 PolarHBondContact O-N 3.38Å
6	L	56.1	Low	63.5	Low	98 Å²	98	113.9 Å²	113.9	51%	0.513	60%	0.604	S	S	.	*	H	α-helix	trans	-68.8	-49.5	173.7	-92.6	136.7	0	0	0	111.6	I2 F3 A8 K9 M10	I2-L6 HydrophobicContact CG2-CD1 4.08Å; I2-L6 PolarHBondContact O-N 2.86Å; F3-L6 PolarHBondContact O-N 3.48Å; L6-A8 PolarHBondContact O-N 3.37Å; L6-K9 PolarHBondContact O-N 3.19Å; L6-K9 VanDerWaalsContact O-N 3.13Å; L6-M10 WeakPolarHBondContact O-CG 3.37Å; L6-M10 PolarHBondContact O-N 2.94Å
7	L	57.5	Low	64.6	Low	113 Å²	113	112.8 Å²	112.8	59%	0.592	60%	0.598	S	S	*	*	H	α-helix	trans	-60.6	-44.4	179.1	-71.6	168.1	0	0	0	112.4	F3 K9 M10 A11	F3-L7 PolarHBondContact O-N 3.1Å; F3-L7 VanDerWaalsContact O-N 3.12Å; L7-K9 VanDerWaalsContact C-N 3.3Å; L7-K9 PolarHBondContact O-N 3.36Å; L7-M10 PolarHBondContact O-N 3.02Å; L7-A11 PolarHBondContact O-N 2.78Å
8	A	59.8	Low	65.7	Low	61 Å²	61	112.8 Å²	112.8	50%	0.504	59%	0.592	S	S	.	*	H	α-helix	trans	-62	-36	175.3	0	0	0	0	0	112.8	C4 L6 N12	C4-A8 WeakPolarHBondContact O-CB 3.42Å; C4-A8 PolarHBondContact O-N 3.26Å; C4-A8 VanDerWaalsContact O-N 3.13Å; L6-A8 PolarHBondContact O-N 3.37Å; A8-N12 PolarHBondContact O-N 3.03Å; A8-N12 VanDerWaalsContact O-N 3.17Å
9	K	59.8	Low	66.9	Low	152 Å²	152	116.1 Å²	116.1	66%	0.661	60%	0.596	S	S	*	*	H	α-helix	trans	-72.2	-35.4	178.3	-162.9	172.4	-174.1	-179.3	0	112.2	R5 L6 L7 N13	R5-K9 WeakPolarHBondContact O-CB 3.38Å; R5-K9 PolarHBondContact O-N 3.38Å; L6-K9 PolarHBondContact O-N 3.19Å; L6-K9 VanDerWaalsContact O-N 3.13Å; L7-K9 VanDerWaalsContact C-N 3.3Å; L7-K9 PolarHBondContact O-N 3.36Å; K9-N13 VanDerWaalsContact O-CG 3.29Å; K9-N13 PolarHBondContact O-N 3.21Å; K9-N13 PolarHBondContact O-OD1 3.25Å
10	M	60.3	Low	67.7	Low	125 Å²	125	115.9 Å²	115.9	62%	0.616	60%	0.595	S	S	*	*	H	α-helix	trans	-68.3	-43.5	173.8	-69.5	178.3	70.2	0	0	112.1	L6 L7 N12 N13 D14	L6-M10 WeakPolarHBondContact O-CG 3.37Å; L6-M10 PolarHBondContact O-N 2.94Å; L7-M10 PolarHBondContact O-N 3.02Å; M10-N12 PolarHBondContact O-N 3.37Å; M10-N13 PolarHBondContact O-N 3.39Å; M10-D14 PolarHBondContact O-N 3.15Å; M10-D14 VanDerWaalsContact O-N 3.09Å
11	A	61.3	Low	68.7	Low	63 Å²	63	116 Å²	116	52%	0.521	59%	0.593	S	S	.	*	H	α-helix	trans	-62.2	-39.8	177.2	0	0	0	0	0	112.8	L7 N13 D14 A15	L7-A11 PolarHBondContact O-N 2.78Å; A11-N13 VanDerWaalsContact C-N 3.34Å; A11-N13 PolarHBondContact O-N 3.45Å; A11-D14 PolarHBondContact O-N 2.98Å; A11-A15 PolarHBondContact O-N 2.62Å; A11-A15 VanDerWaalsContact O-N 3.11Å
12	N	66.4	Low	70.4	Confident	117 Å²	117	112.4 Å²	112.4	63%	0.626	57%	0.574	S	S	*	*	H	α-helix	trans	-64.2	-37.1	174.2	-107.8	14.5	0	0	0	112.7	A8 M10 V16	A8-N12 PolarHBondContact O-N 3.03Å; A8-N12 VanDerWaalsContact O-N 3.17Å; M10-N12 PolarHBondContact O-N 3.37Å; N12-V16 VanDerWaalsContact O-CG2 3.31Å; N12-V16 WeakPolarHBondContact O-CG2 3.5Å; N12-V16 PolarHBondContact O-N 3.29Å
13	N	72.8	Confident	72	Confident	102 Å²	102	112.3 Å²	112.3	55%	0.545	57%	0.568	S	S	.	*	H	α-helix	trans	-67.6	-41	177.9	-71.9	-9.5	0	0	0	111.8	K9 M10 A11 V16 L17	K9-N13 VanDerWaalsContact O-CG 3.29Å; K9-N13 PolarHBondContact O-N 3.21Å; K9-N13 PolarHBondContact O-OD1 3.25Å; M10-N13 PolarHBondContact O-N 3.39Å; A11-N13 VanDerWaalsContact C-N 3.34Å; A11-N13 PolarHBondContact O-N 3.45Å; N13-V16 PolarHBondContact O-N 2.92Å; N13-L17 PolarHBondContact O-N 3.24Å
14	D	77.7	Confident	73.8	Confident	79 Å²	79	105.9 Å²	105.9	42%	0.422	55%	0.549	S	S	.	.	H	α-helix	trans	-63.2	-41.7	175.7	178.9	67.7	0	0	0	112.2	M10 A11 V16 L17 K18	M10-D14 PolarHBondContact O-N 3.15Å; M10-D14 VanDerWaalsContact O-N 3.09Å; A11-D14 PolarHBondContact O-N 2.98Å; D14-V16 VanDerWaalsContact C-N 3.33Å; D14-V16 PolarHBondContact O-N 2.95Å; D14-L17 PolarHBondContact O-N 3.47Å; D14-K18 PolarHBondContact O-N 3.33Å; D14-K18 IonicContact OD1-NZ 2.77Å; D14-K18 PolarHBondContact OD1-NZ 3.27Å; D14-K18 IonicContact OD2-NZ 2.81Å; D14-K18 PolarHBondContact OD2-NZ 3.14Å
15	A	82.3	Confident	75.6	Confident	57 Å²	57	103.9 Å²	103.9	47%	0.471	54%	0.54	S	S	.	.	H	α-helix	trans	-64.4	-35.3	174.2	0	0	0	0	0	113.1	A11 R19	A11-A15 PolarHBondContact O-N 2.62Å; A11-A15 VanDerWaalsContact O-N 3.11Å; A15-R19 WeakPolarHBondContact O-CB 3.45Å; A15-R19 PolarHBondContact O-N 2.95Å
16	V	83	Confident	77.3	Confident	85 Å²	85	99 Å²	99	52%	0.515	53%	0.525	S	S	.	.	H	α-helix	trans	-70	-40.1	173.3	169.4	0	0	0	0	111.2	N12 N13 D14 R19 L20	N12-V16 VanDerWaalsContact O-CG2 3.31Å; N12-V16 WeakPolarHBondContact O-CG2 3.5Å; N12-V16 PolarHBondContact O-N 3.29Å; N13-V16 PolarHBondContact O-N 2.92Å; D14-V16 VanDerWaalsContact C-N 3.33Å; D14-V16 PolarHBondContact O-N 2.95Å; V16-R19 PolarHBondContact O-N 2.81Å; V16-L20 HydrophobicContact CG1-CD1 4Å; V16-L20 WeakPolarHBondContact O-CG 3.49Å; V16-L20 PolarHBondContact O-N 2.66Å
17	L	80.9	Confident	79	Confident	96 Å²	96	96.4 Å²	96.4	50%	0.503	52%	0.518	S	S	.	.	H	α-helix	trans	-61	-52.1	178	-146.5	89.1	0	0	0	111.1	N13 D14 R19 L20 E21	N13-L17 PolarHBondContact O-N 3.24Å; D14-L17 PolarHBondContact O-N 3.47Å; L17-R19 PolarHBondContact O-N 2.75Å; L17-L20 WeakPolarHBondContact O-CA 3.26Å; L17-L20 WeakPolarHBondContact O-CB 3.22Å; L17-L20 PolarHBondContact O-N 2.89Å; L17-E21 WeakPolarHBondContact O-CG 3.29Å; L17-E21 PolarHBondContact O-N 3.4Å
18	K	86	Confident	80.7	Confident	112 Å²	112	96.1 Å²	96.1	49%	0.487	52%	0.517	S	S	.	.	H	α-helix	trans	-57.3	-35.6	177.1	-76.7	166.8	177	154.2	0	113	D14 Q22	D14-K18 PolarHBondContact O-N 3.33Å; D14-K18 IonicContact OD1-NZ 2.77Å; D14-K18 PolarHBondContact OD1-NZ 3.27Å; D14-K18 IonicContact OD2-NZ 2.81Å; D14-K18 PolarHBondContact OD2-NZ 3.14Å; K18-Q22 WeakPolarHBondContact O-CB 3.24Å; K18-Q22 PolarHBondContact O-N 3.26Å
19	R	87.6	Confident	82.4	Confident	176 Å²	176	99.6 Å²	99.6	66%	0.664	52%	0.523	S	S	*	.	H	α-helix	trans	-74	-26.1	176.8	-156.9	178.4	-159.5	179.8	7.8	113.1	A15 V16 L17 K23	A15-R19 WeakPolarHBondContact O-CB 3.45Å; A15-R19 PolarHBondContact O-N 2.95Å; V16-R19 PolarHBondContact O-N 2.81Å; L17-R19 PolarHBondContact O-N 2.75Å; R19-K23 VanDerWaalsContact O-CG 3.29Å; R19-K23 WeakPolarHBondContact O-CG 3.36Å; R19-K23 PolarHBondContact O-N 2.89Å
20	L	83	Confident	84.1	Confident	111 Å²	111	97.2 Å²	97.2	58%	0.581	52%	0.516	S	S	*	.	H	α-helix	trans	-76.9	-43.8	171.3	-75	162.6	0	0	0	110.9	V16 L17 K23 G24	V16-L20 HydrophobicContact CG1-CD1 4Å; V16-L20 WeakPolarHBondContact O-CG 3.49Å; V16-L20 PolarHBondContact O-N 2.66Å; L17-L20 WeakPolarHBondContact O-CA 3.26Å; L17-L20 WeakPolarHBondContact O-CB 3.22Å; L17-L20 PolarHBondContact O-N 2.89Å; L20-K23 PolarHBondContact O-N 2.91Å; L20-G24 PolarHBondContact O-N 2.9Å
21	E	87.7	Confident	85.7	Confident	118 Å²	118	95 Å²	95	55%	0.551	51%	0.506	S	S	*	.	H	α-helix	trans	-59.7	-47.2	174.8	-70.2	172.9	163.4	0	0	111.6	L17 K23 G24 A25	L17-E21 WeakPolarHBondContact O-CG 3.29Å; L17-E21 PolarHBondContact O-N 3.4Å; E21-K23 VanDerWaalsContact C-N 3.34Å; E21-K23 PolarHBondContact O-N 3.11Å; E21-G24 WeakPolarHBondContact O-CA 3.14Å; E21-G24 PolarHBondContact O-N 2.86Å; E21-G24 VanDerWaalsContact O-N 3.12Å; E21-A25 PolarHBondContact O-N 3.36Å
22	Q	92.6	Very high	87.4	Confident	113 Å²	113	97.3 Å²	97.3	53%	0.528	51%	0.506	S	S	.	.	H	α-helix	trans	-58.1	-45.4	175.4	-177.9	-177.4	-12.1	0	0	111.7	K18 G24 A25 E26	K18-Q22 WeakPolarHBondContact O-CB 3.24Å; K18-Q22 PolarHBondContact O-N 3.26Å; Q22-G24 VanDerWaalsContact C-N 3.3Å; Q22-G24 PolarHBondContact O-N 2.93Å; Q22-A25 PolarHBondContact O-N 3.35Å; Q22-E26 WeakPolarHBondContact CG-OE1 3.4Å; Q22-E26 PolarHBondContact NE2-OE1 3.49Å; Q22-E26 WeakPolarHBondContact O-CG 3.38Å; Q22-E26 PolarHBondContact O-N 3.22Å
23	K	91.3	Very high	88.8	Confident	130 Å²	130	98.1 Å²	98.1	57%	0.565	50%	0.501	S	S	*	.	H	α-helix	trans	-65.8	-31.7	176.6	-78.1	-179.1	173.5	-165.6	0	113.1	R19 L20 E21 A27	R19-K23 VanDerWaalsContact O-CG 3.29Å; R19-K23 WeakPolarHBondContact O-CG 3.36Å; R19-K23 PolarHBondContact O-N 2.89Å; L20-K23 PolarHBondContact O-N 2.91Å; E21-K23 VanDerWaalsContact C-N 3.34Å; E21-K23 PolarHBondContact O-N 3.11Å; K23-A27 VanDerWaalsContact O-CB 3.29Å; K23-A27 WeakPolarHBondContact O-CB 3.46Å; K23-A27 PolarHBondContact O-N 3.48Å
24	G	90.1	Very high	89.9	Confident	32 Å²	32	97.2 Å²	97.2	33%	0.33	50%	0.496	S	S	.	.	H	α-helix	trans	-62.5	-52.5	170.9	0	0	0	0	0	111	L20 E21 Q22 E26 A27 D28	L20-G24 PolarHBondContact O-N 2.9Å; E21-G24 WeakPolarHBondContact O-CA 3.14Å; E21-G24 PolarHBondContact O-N 2.86Å; E21-G24 VanDerWaalsContact O-N 3.12Å; Q22-G24 VanDerWaalsContact C-N 3.3Å; Q22-G24 PolarHBondContact O-N 2.93Å; G24-E26 PolarHBondContact O-N 3.25Å; G24-A27 WeakPolarHBondContact O-CB 3.26Å; G24-A27 PolarHBondContact O-N 2.89Å; G24-A27 VanDerWaalsContact O-N 3.11Å; G24-D28 PolarHBondContact O-N 3.2Å
25	A	92.8	Very high	90.7	Very high	50 Å²	50	100.2 Å²	100.2	41%	0.413	51%	0.505	S	S	.	.	H	α-helix	trans	-60.6	-41.1	178	0	0	0	0	0	113.1	E21 Q22 D28 Q29	E21-A25 PolarHBondContact O-N 3.36Å; Q22-A25 PolarHBondContact O-N 3.35Å; A25-D28 PolarHBondContact O-N 2.88Å; A25-Q29 WeakPolarHBondContact O-CG 3.45Å; A25-Q29 PolarHBondContact O-N 2.99Å
26	E	94.1	Very high	91.4	Very high	88 Å²	88	102.7 Å²	102.7	41%	0.411	51%	0.507	S	S	.	.	H	α-helix	trans	-63	-41	173.6	-73.4	170	-169.3	0	0	111.6	Q22 G24 I30	Q22-E26 WeakPolarHBondContact CG-OE1 3.4Å; Q22-E26 PolarHBondContact NE2-OE1 3.49Å; Q22-E26 WeakPolarHBondContact O-CG 3.38Å; Q22-E26 PolarHBondContact O-N 3.22Å; G24-E26 PolarHBondContact O-N 3.25Å; E26-I30 WeakPolarHBondContact O-CD1 3.49Å; E26-I30 VanDerWaalsContact O-CG1 3.28Å; E26-I30 WeakPolarHBondContact O-CG1 3.31Å; E26-I30 PolarHBondContact O-N 3.42Å; E26-I30 VanDerWaalsContact O-N 3.1Å
27	A	92.4	Very high	92	Very high	45 Å²	45	102.4 Å²	102.4	37%	0.372	50%	0.5	S	S	.	.	H	α-helix	trans	-66.9	-41.1	176	0	0	0	0	0	112.4	K23 G24 I30 I31	K23-A27 VanDerWaalsContact O-CB 3.29Å; K23-A27 WeakPolarHBondContact O-CB 3.46Å; K23-A27 PolarHBondContact O-N 3.48Å; G24-A27 WeakPolarHBondContact O-CB 3.26Å; G24-A27 PolarHBondContact O-N 2.89Å; G24-A27 VanDerWaalsContact O-N 3.11Å; A27-I30 PolarHBondContact O-N 3.45Å; A27-I31 VanDerWaalsContact O-CG1 3.26Å; A27-I31 WeakPolarHBondContact O-CG1 3.33Å; A27-I31 PolarHBondContact O-N 2.85Å
28	D	92.3	Very high	92.7	Very high	107 Å²	107	102.1 Å²	102.1	57%	0.572	50%	0.498	S	S	*	.	H	α-helix	trans	-64.3	-41	177.1	-74.8	-33.6	0	0	0	111.8	G24 A25 I30 I31 E32	G24-D28 PolarHBondContact O-N 3.2Å; A25-D28 PolarHBondContact O-N 2.88Å; D28-I30 PolarHBondContact O-N 2.82Å; D28-I31 PolarHBondContact O-N 2.84Å; D28-E32 PolarHBondContact O-N 3.4Å
29	Q	95.8	Very high	93	Very high	133 Å²	133	100.2 Å²	100.2	62%	0.621	50%	0.499	S	S	*	.	H	α-helix	trans	-61	-42.3	172.6	-74.1	175.9	10.7	0	0	112.3	A25 E32 Y33	A25-Q29 WeakPolarHBondContact O-CG 3.45Å; A25-Q29 PolarHBondContact O-N 2.99Å; Q29-E32 PolarHBondContact O-N 2.91Å; Q29-Y33 WeakPolarHBondContact O-CB 3.31Å; Q29-Y33 PolarHBondContact O-N 3.4Å
30	I	95.8	Very high	93.3	Very high	102 Å²	102	97.1 Å²	97.1	52%	0.523	50%	0.495	S	S	.	.	H	α-helix	trans	-64.3	-41.8	175.3	-69	164.5	0	0	0	110.7	E26 A27 D28 Y33 L34	E26-I30 WeakPolarHBondContact O-CD1 3.49Å; E26-I30 VanDerWaalsContact O-CG1 3.28Å; E26-I30 WeakPolarHBondContact O-CG1 3.31Å; E26-I30 PolarHBondContact O-N 3.42Å; E26-I30 VanDerWaalsContact O-N 3.1Å; A27-I30 PolarHBondContact O-N 3.45Å; D28-I30 PolarHBondContact O-N 2.82Å; I30-Y33 PolarHBondContact O-N 3.15Å; I30-L34 HydrophobicContact CG2-CD1 3.88Å; I30-L34 HydrophobicContact CG2-CG 4.39Å; I30-L34 WeakPolarHBondContact O-CB 3.26Å; I30-L34 VanDerWaalsContact O-CG 3.26Å; I30-L34 WeakPolarHBondContact O-CG 3.33Å; I30-L34 PolarHBondContact O-N 3.07Å
31	I	94.8	Very high	93.8	Very high	78 Å²	78	97.4 Å²	97.4	40%	0.4	50%	0.496	S	S	.	.	H	α-helix	trans	-62.9	-42.2	176.8	-72.1	163.8	0	0	0	110.9	A27 D28 L34 K35	A27-I31 VanDerWaalsContact O-CG1 3.26Å; A27-I31 WeakPolarHBondContact O-CG1 3.33Å; A27-I31 PolarHBondContact O-N 2.85Å; D28-I31 PolarHBondContact O-N 2.84Å; I31-L34 PolarHBondContact O-N 3.2Å; I31-K35 HydrophobicContact CG2-CD 4.13Å; I31-K35 VanDerWaalsContact O-CG 3.27Å; I31-K35 WeakPolarHBondContact O-CG 3.45Å; I31-K35 PolarHBondContact O-N 2.85Å
32	E	95.9	Very high	94	Very high	113 Å²	113	98.4 Å²	98.4	53%	0.528	50%	0.499	S	S	.	.	H	α-helix	trans	-64.5	-47.2	176.7	-168.6	178.4	176.3	0	0	111.7	D28 Q29 L34 K35 Q36	D28-E32 PolarHBondContact O-N 3.4Å; Q29-E32 PolarHBondContact O-N 2.91Å; E32-L34 VanDerWaalsContact C-N 3.34Å; E32-L34 PolarHBondContact O-N 2.93Å; E32-K35 WeakPolarHBondContact O-CB 3.45Å; E32-K35 PolarHBondContact O-N 2.81Å; E32-K35 VanDerWaalsContact O-N 3.16Å; E32-Q36 WeakPolarHBondContact O-CG 3.44Å; E32-Q36 PolarHBondContact O-N 3.36Å
33	Y	96.5	Very high	94.1	Very high	134 Å²	134	98.1 Å²	98.1	53%	0.525	50%	0.498	S	S	.	.	H	α-helix	trans	-57.9	-44.4	175.6	179.3	-101.3	0	0	0	112.5	Q29 I30 Q36 Q37	Q29-Y33 WeakPolarHBondContact O-CB 3.31Å; Q29-Y33 PolarHBondContact O-N 3.4Å; I30-Y33 PolarHBondContact O-N 3.15Å; Y33-Q36 PolarHBondContact O-N 3.44Å; Y33-Q37 HydrophobicContact CD1-CG 4.41Å; Y33-Q37 HydrophobicContact CE1-CG 3.96Å; Y33-Q37 VanDerWaalsContact CE1-NE2 3.35Å; Y33-Q37 VanDerWaalsContact CZ-NE2 3.34Å; Y33-Q37 PolarHBondContact O-N 2.9Å; Y33-Q37 PolarHBondContact OH-NE2 3.06Å
34	L	95.9	Very high	94.3	Very high	83 Å²	83	98.8 Å²	98.8	44%	0.435	50%	0.501	S	S	.	.	H	α-helix	trans	-66.2	-37.3	176.7	-70.8	172.6	0	0	0	112.3	I30 I31 E32 Q37 I38	I30-L34 HydrophobicContact CG2-CD1 3.88Å; I30-L34 HydrophobicContact CG2-CG 4.39Å; I30-L34 WeakPolarHBondContact O-CB 3.26Å; I30-L34 VanDerWaalsContact O-CG 3.26Å; I30-L34 WeakPolarHBondContact O-CG 3.33Å; I30-L34 PolarHBondContact O-N 3.07Å; I31-L34 PolarHBondContact O-N 3.2Å; E32-L34 VanDerWaalsContact C-N 3.34Å; E32-L34 PolarHBondContact O-N 2.93Å; L34-Q37 PolarHBondContact O-N 3.47Å; L34-I38 WeakPolarHBondContact O-CB 3.5Å; L34-I38 VanDerWaalsContact O-CG1 3.25Å; L34-I38 WeakPolarHBondContact O-CG1 3.34Å; L34-I38 PolarHBondContact O-N 3.37Å
35	K	94.3	Very high	94.4	Very high	142 Å²	142	99.9 Å²	99.9	62%	0.617	51%	0.507	S	S	*	.	H	α-helix	trans	-60.5	-44.7	171.9	-75.6	166.6	179.9	171.2	0	111.3	I31 E32 I38 S39	I31-K35 HydrophobicContact CG2-CD 4.13Å; I31-K35 VanDerWaalsContact O-CG 3.27Å; I31-K35 WeakPolarHBondContact O-CG 3.45Å; I31-K35 PolarHBondContact O-N 2.85Å; E32-K35 WeakPolarHBondContact O-CB 3.45Å; E32-K35 PolarHBondContact O-N 2.81Å; E32-K35 VanDerWaalsContact O-N 3.16Å; K35-I38 PolarHBondContact O-N 3.18Å; K35-S39 PolarHBondContact O-N 3.26Å
36	Q	96.5	Very high	94.5	Very high	108 Å²	108	102.1 Å²	102.1	51%	0.505	51%	0.51	S	S	.	.	H	α-helix	trans	-62.3	-46.5	176.7	-68.3	177	8.2	0	0	111.5	E32 Y33 I38 S39 L40	E32-Q36 WeakPolarHBondContact O-CG 3.44Å; E32-Q36 PolarHBondContact O-N 3.36Å; Y33-Q36 PolarHBondContact O-N 3.44Å; Q36-I38 PolarHBondContact O-N 3.23Å; Q36-S39 WeakPolarHBondContact O-CB 3.44Å; Q36-S39 PolarHBondContact O-N 3.37Å; Q36-L40 WeakPolarHBondContact O-CG 3.4Å; Q36-L40 PolarHBondContact O-N 2.81Å
37	Q	96.2	Very high	94.3	Very high	80 Å²	80	102.8 Å²	102.8	37%	0.374	52%	0.516	S	S	.	.	H	α-helix	trans	-59.4	-43.3	174.9	-75.9	-160.2	-22.8	0	0	112.8	Y33 L34 S39 L40 L41	Y33-Q37 HydrophobicContact CD1-CG 4.41Å; Y33-Q37 HydrophobicContact CE1-CG 3.96Å; Y33-Q37 VanDerWaalsContact CE1-NE2 3.35Å; Y33-Q37 VanDerWaalsContact CZ-NE2 3.34Å; Y33-Q37 PolarHBondContact O-N 2.9Å; Y33-Q37 PolarHBondContact OH-NE2 3.06Å; L34-Q37 PolarHBondContact O-N 3.47Å; Q37-S39 VanDerWaalsContact C-N 3.3Å; Q37-S39 PolarHBondContact O-N 2.9Å; Q37-L40 PolarHBondContact O-N 3.29Å; Q37-L41 WeakPolarHBondContact O-CB 3.45Å; Q37-L41 WeakPolarHBondContact O-CG 3.19Å; Q37-L41 PolarHBondContact O-N 2.99Å
38	I	94.8	Very high	94.4	Very high	89 Å²	89	105.5 Å²	105.5	46%	0.456	52%	0.521	S	S	.	.	H	α-helix	trans	-62.9	-38.4	176.5	-71	165.7	0	0	0	110.9	L34 K35 Q36 L41 K42	L34-I38 WeakPolarHBondContact O-CB 3.5Å; L34-I38 VanDerWaalsContact O-CG1 3.25Å; L34-I38 WeakPolarHBondContact O-CG1 3.34Å; L34-I38 PolarHBondContact O-N 3.37Å; K35-I38 PolarHBondContact O-N 3.18Å; Q36-I38 PolarHBondContact O-N 3.23Å; I38-L41 PolarHBondContact O-N 3.44Å; I38-K42 HydrophobicContact CG2-CD 4.25Å; I38-K42 WeakPolarHBondContact O-CG 3.47Å; I38-K42 PolarHBondContact O-N 3.03Å
39	S	92.6	Very high	94.3	Very high	72 Å²	72	103 Å²	103	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-50.9	175.6	-161.3	0	0	0	0	111.5	K35 Q36 Q37 L41 K42 E43	K35-S39 PolarHBondContact O-N 3.26Å; Q36-S39 WeakPolarHBondContact O-CB 3.44Å; Q36-S39 PolarHBondContact O-N 3.37Å; Q37-S39 VanDerWaalsContact C-N 3.3Å; Q37-S39 PolarHBondContact O-N 2.9Å; S39-L41 VanDerWaalsContact C-N 3.32Å; S39-L41 PolarHBondContact O-N 3.41Å; S39-K42 WeakPolarHBondContact O-CB 3.28Å; S39-K42 PolarHBondContact O-N 2.86Å; S39-K42 VanDerWaalsContact O-N 3.16Å; S39-E43 PolarHBondContact O-N 2.85Å
40	L	95.3	Very high	94.1	Very high	112 Å²	112	100.2 Å²	100.2	59%	0.586	51%	0.508	S	S	*	.	H	α-helix	trans	-61.2	-37.7	178.2	-70.1	170.6	0	0	0	112.7	Q36 Q37 K44	Q36-L40 WeakPolarHBondContact O-CG 3.4Å; Q36-L40 PolarHBondContact O-N 2.81Å; Q37-L40 PolarHBondContact O-N 3.29Å; L40-K44 VanDerWaalsContact O-CB 3.22Å; L40-K44 WeakPolarHBondContact O-CB 3.38Å; L40-K44 PolarHBondContact O-N 3.05Å
41	L	92.7	Very high	94.1	Very high	116 Å²	116	99.1 Å²	99.1	61%	0.607	50%	0.503	S	S	*	.	H	α-helix	trans	-67.3	-39	175.6	-74.9	172	0	0	0	112.3	Q37 I38 S39 A45	Q37-L41 WeakPolarHBondContact O-CB 3.45Å; Q37-L41 WeakPolarHBondContact O-CG 3.19Å; Q37-L41 PolarHBondContact O-N 2.99Å; I38-L41 PolarHBondContact O-N 3.44Å; S39-L41 VanDerWaalsContact C-N 3.32Å; S39-L41 PolarHBondContact O-N 3.41Å; L41-A45 WeakPolarHBondContact O-CB 3.28Å; L41-A45 PolarHBondContact O-N 2.87Å
42	K	92.7	Very high	93.9	Very high	140 Å²	140	103.2 Å²	103.2	61%	0.609	51%	0.513	S	S	*	.	H	α-helix	trans	-64.4	-48.4	174	-74.9	172.9	177.2	-178.4	0	111.4	I38 S39 K44 A45 I46	I38-K42 HydrophobicContact CG2-CD 4.25Å; I38-K42 WeakPolarHBondContact O-CG 3.47Å; I38-K42 PolarHBondContact O-N 3.03Å; S39-K42 WeakPolarHBondContact O-CB 3.28Å; S39-K42 PolarHBondContact O-N 2.86Å; S39-K42 VanDerWaalsContact O-N 3.16Å; K42-K44 PolarHBondContact O-N 3.39Å; K42-A45 WeakPolarHBondContact O-CB 3.22Å; K42-A45 PolarHBondContact O-N 2.81Å; K42-I46 WeakPolarHBondContact O-CG1 3.28Å; K42-I46 PolarHBondContact O-N 2.92Å
43	E	93.9	Very high	93.8	Very high	106 Å²	106	103.8 Å²	103.8	50%	0.495	52%	0.515	S	S	.	.	H	α-helix	trans	-59.5	-47.4	178	-172.8	-178.8	177.1	0	0	111.4	S39 A45 I46 L47	S39-E43 PolarHBondContact O-N 2.85Å; E43-A45 VanDerWaalsContact C-N 3.31Å; E43-A45 PolarHBondContact O-N 2.91Å; E43-I46 PolarHBondContact O-N 2.84Å; E43-L47 HydrophobicContact CG-CD1 4.19Å; E43-L47 WeakPolarHBondContact O-CG 3.24Å; E43-L47 PolarHBondContact O-N 3.1Å
44	K	95.4	Very high	93.5	Very high	145 Å²	145	101.3 Å²	101.3	63%	0.63	51%	0.509	S	S	*	.	H	α-helix	trans	-59.7	-38.3	174.9	-176.1	176.1	-179.4	176.9	0	112.8	L40 K42 Q48	L40-K44 VanDerWaalsContact O-CB 3.22Å; L40-K44 WeakPolarHBondContact O-CB 3.38Å; L40-K44 PolarHBondContact O-N 3.05Å; K42-K44 PolarHBondContact O-N 3.39Å; K44-Q48 VanDerWaalsContact O-CB 3.29Å; K44-Q48 WeakPolarHBondContact O-CB 3.47Å; K44-Q48 PolarHBondContact O-N 2.55Å
45	A	93.1	Very high	93.5	Very high	55 Å²	55	103.4 Å²	103.4	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-67.5	-41.2	176.5	0	0	0	0	0	112	L41 K42 E43 Q48 A49	L41-A45 WeakPolarHBondContact O-CB 3.28Å; L41-A45 PolarHBondContact O-N 2.87Å; K42-A45 WeakPolarHBondContact O-CB 3.22Å; K42-A45 PolarHBondContact O-N 2.81Å; E43-A45 VanDerWaalsContact C-N 3.31Å; E43-A45 PolarHBondContact O-N 2.91Å; A45-Q48 PolarHBondContact O-N 3.33Å; A45-A49 WeakPolarHBondContact O-CB 3.4Å; A45-A49 PolarHBondContact O-N 3.3Å
46	I	92.9	Very high	93.5	Very high	96 Å²	96	103.4 Å²	103.4	49%	0.492	52%	0.515	S	S	.	.	H	α-helix	trans	-62.4	-52	174.8	-67	163	0	0	0	110	K42 E43 Q48 A49 T50	K42-I46 WeakPolarHBondContact O-CG1 3.28Å; K42-I46 PolarHBondContact O-N 2.92Å; E43-I46 PolarHBondContact O-N 2.84Å; I46-Q48 VanDerWaalsContact C-N 3.27Å; I46-Q48 PolarHBondContact O-N 3.15Å; I46-A49 WeakPolarHBondContact O-CB 3.49Å; I46-A49 PolarHBondContact O-N 2.79Å; I46-T50 HydrophobicContact CG2-CG2 4.4Å; I46-T50 PolarHBondContact O-N 3.02Å; I46-T50 PolarHBondContact O-OG1 2.97Å
47	L	91.8	Very high	93.4	Very high	102 Å²	102	102.2 Å²	102.2	53%	0.534	51%	0.511	S	S	.	.	H	α-helix	trans	-59	-36.1	177.4	-70.9	172.6	0	0	0	112.7	E43 T50 L51	E43-L47 HydrophobicContact CG-CD1 4.19Å; E43-L47 WeakPolarHBondContact O-CG 3.24Å; E43-L47 PolarHBondContact O-N 3.1Å; L47-T50 WeakPolarHBondContact CA-OG1 3.37Å; L47-T50 PolarHBondContact O-OG1 3.4Å; L47-L51 WeakPolarHBondContact O-CB 3.26Å; L47-L51 PolarHBondContact O-N 3.03Å
48	Q	93.9	Very high	93.3	Very high	103 Å²	103	105.8 Å²	105.8	48%	0.481	52%	0.521	S	S	.	.	H	α-helix	trans	-71.7	-33.3	175.7	-169.8	176.5	36.4	0	0	112.4	K44 A45 I46 R52	K44-Q48 VanDerWaalsContact O-CB 3.29Å; K44-Q48 WeakPolarHBondContact O-CB 3.47Å; K44-Q48 PolarHBondContact O-N 2.55Å; A45-Q48 PolarHBondContact O-N 3.33Å; I46-Q48 VanDerWaalsContact C-N 3.27Å; I46-Q48 PolarHBondContact O-N 3.15Å; Q48-R52 WeakPolarHBondContact O-CD 3.32Å; Q48-R52 VanDerWaalsContact O-CG 3.26Å; Q48-R52 WeakPolarHBondContact O-CG 3.09Å; Q48-R52 PolarHBondContact O-N 3.06Å
49	A	90.3	Very high	93.3	Very high	54 Å²	54	106.6 Å²	106.6	45%	0.446	53%	0.53	S	S	.	.	H	α-helix	trans	-69.3	-51.1	174.9	0	0	0	0	0	111.2	A45 I46 L51 R52 E53	A45-A49 WeakPolarHBondContact O-CB 3.4Å; A45-A49 PolarHBondContact O-N 3.3Å; I46-A49 WeakPolarHBondContact O-CB 3.49Å; I46-A49 PolarHBondContact O-N 2.79Å; A49-L51 PolarHBondContact O-N 3.13Å; A49-R52 WeakPolarHBondContact O-CB 3.29Å; A49-R52 PolarHBondContact O-N 3.12Å; A49-R52 VanDerWaalsContact O-N 3.13Å; A49-E53 PolarHBondContact O-N 2.9Å
50	T	92.1	Very high	93.5	Very high	74 Å²	74	107.6 Å²	107.6	45%	0.454	53%	0.527	S	S	.	.	H	α-helix	trans	-61.1	-42.5	179.2	57.1	0	0	0	0	111.8	I46 L47 R52 E53 E54	I46-T50 HydrophobicContact CG2-CG2 4.4Å; I46-T50 PolarHBondContact O-N 3.02Å; I46-T50 PolarHBondContact O-OG1 2.97Å; L47-T50 WeakPolarHBondContact CA-OG1 3.37Å; L47-T50 PolarHBondContact O-OG1 3.4Å; T50-R52 VanDerWaalsContact C-N 3.3Å; T50-R52 PolarHBondContact O-N 3.47Å; T50-E53 PolarHBondContact O-N 3.47Å; T50-E54 WeakPolarHBondContact O-CB 3.11Å; T50-E54 PolarHBondContact O-N 3.38Å
51	L	94.6	Very high	93.3	Very high	80 Å²	80	106.4 Å²	106.4	42%	0.419	52%	0.521	S	S	.	.	H	α-helix	trans	-63.5	-32.3	176.5	-176.5	66.4	0	0	0	113.2	L47 A49 K55	L47-L51 WeakPolarHBondContact O-CB 3.26Å; L47-L51 PolarHBondContact O-N 3.03Å; A49-L51 PolarHBondContact O-N 3.13Å; L51-K55 WeakPolarHBondContact O-CB 3.27Å; L51-K55 VanDerWaalsContact O-CG 3.25Å; L51-K55 WeakPolarHBondContact O-CG 3.35Å; L51-K55 PolarHBondContact O-N 3.39Å
52	R	91.4	Very high	93.5	Very high	163 Å²	163	103.9 Å²	103.9	62%	0.615	52%	0.517	S	S	*	.	H	α-helix	trans	-70.4	-42.6	174.5	-78.2	170	175.7	160	-0.2	111.1	Q48 A49 T50 K55 K56	Q48-R52 WeakPolarHBondContact O-CD 3.32Å; Q48-R52 VanDerWaalsContact O-CG 3.26Å; Q48-R52 WeakPolarHBondContact O-CG 3.09Å; Q48-R52 PolarHBondContact O-N 3.06Å; A49-R52 WeakPolarHBondContact O-CB 3.29Å; A49-R52 PolarHBondContact O-N 3.12Å; A49-R52 VanDerWaalsContact O-N 3.13Å; T50-R52 VanDerWaalsContact C-N 3.3Å; T50-R52 PolarHBondContact O-N 3.47Å; R52-K55 PolarHBondContact O-N 2.92Å; R52-K56 PolarHBondContact O-N 3.35Å
53	E	92.7	Very high	93.7	Very high	125 Å²	125	103.8 Å²	103.8	58%	0.584	52%	0.516	S	S	*	.	H	α-helix	trans	-67.5	-45	178.4	-173.1	156.3	-143.3	0	0	111.8	A49 T50 K55 K56 L57	A49-E53 PolarHBondContact O-N 2.9Å; T50-E53 PolarHBondContact O-N 3.47Å; E53-K55 VanDerWaalsContact C-N 3.3Å; E53-K55 PolarHBondContact O-N 2.91Å; E53-K56 WeakPolarHBondContact O-CB 3.46Å; E53-K56 PolarHBondContact O-N 3.08Å; E53-K56 VanDerWaalsContact O-N 3.11Å; E53-L57 HydrophobicContact CG-CD1 4.06Å; E53-L57 HydrophobicContact CG-CG 4.45Å; E53-L57 WeakPolarHBondContact O-CB 3.49Å; E53-L57 WeakPolarHBondContact O-CG 3.36Å; E53-L57 PolarHBondContact O-N 3.25Å
54	E	90.7	Very high	93.7	Very high	83 Å²	83	102.5 Å²	102.5	39%	0.388	51%	0.512	S	S	.	.	H	α-helix	trans	-56.9	-42.3	173.9	-168.3	-157.8	174.7	0	0	111.7	T50 R58	T50-E54 WeakPolarHBondContact O-CB 3.11Å; T50-E54 PolarHBondContact O-N 3.38Å; E54-R58 PolarHBondContact O-N 2.82Å; E54-R58 IonicContact OE1-CZ 3.6Å; E54-R58 IonicContact OE1-NH1 2.84Å; E54-R58 PolarHBondContact OE1-NH1 3.01Å; E54-R58 IonicContact OE1-NH2 3.72Å; E54-R58 PolarHBondContact OE1-NH2 3.2Å; E54-R58 IonicContact OE2-NH1 3.48Å
55	K	95.3	Very high	93.5	Very high	126 Å²	126	102.9 Å²	102.9	55%	0.548	51%	0.514	S	S	.	.	H	α-helix	trans	-65.2	-43.2	175.1	-77.3	176.4	-179.5	-176	0	112.3	L51 R52 E53 R58 V59	L51-K55 WeakPolarHBondContact O-CB 3.27Å; L51-K55 VanDerWaalsContact O-CG 3.25Å; L51-K55 WeakPolarHBondContact O-CG 3.35Å; L51-K55 PolarHBondContact O-N 3.39Å; R52-K55 PolarHBondContact O-N 2.92Å; E53-K55 VanDerWaalsContact C-N 3.3Å; E53-K55 PolarHBondContact O-N 2.91Å; K55-R58 PolarHBondContact O-N 3.08Å; K55-V59 WeakPolarHBondContact O-CG2 3.48Å; K55-V59 PolarHBondContact O-N 3.2Å; K55-V59 VanDerWaalsContact O-N 3.14Å
56	K	95.6	Very high	93.7	Very high	143 Å²	143	106.3 Å²	106.3	62%	0.622	52%	0.519	S	S	*	.	H	α-helix	trans	-60.2	-50	175.5	-173.9	-167.8	171.6	-159.2	0	110.6	R52 E53 R58 V59 E60	R52-K56 PolarHBondContact O-N 3.35Å; E53-K56 WeakPolarHBondContact O-CB 3.46Å; E53-K56 PolarHBondContact O-N 3.08Å; E53-K56 VanDerWaalsContact O-N 3.11Å; K56-R58 VanDerWaalsContact C-N 3.33Å; K56-R58 PolarHBondContact O-N 2.97Å; K56-V59 PolarHBondContact O-N 3.27Å; K56-V59 VanDerWaalsContact O-N 3.16Å; K56-E60 WeakPolarHBondContact O-CB 3.39Å; K56-E60 PolarHBondContact O-N 3.49Å
57	L	93.4	Very high	93.8	Very high	83 Å²	83	105.5 Å²	105.5	44%	0.435	51%	0.513	S	S	.	.	H	α-helix	trans	-62.6	-35.6	178.5	-69.9	172.2	0	0	0	112.3	E53 N61	E53-L57 HydrophobicContact CG-CD1 4.06Å; E53-L57 HydrophobicContact CG-CG 4.45Å; E53-L57 WeakPolarHBondContact O-CB 3.49Å; E53-L57 WeakPolarHBondContact O-CG 3.36Å; E53-L57 PolarHBondContact O-N 3.25Å; L57-N61 VanDerWaalsContact O-CB 3.24Å; L57-N61 WeakPolarHBondContact O-CB 3.12Å; L57-N61 PolarHBondContact O-N 2.8Å; L57-N61 PolarHBondContact O-ND2 3.2Å
58	R	93.4	Very high	93.9	Very high	155 Å²	155	105.1 Å²	105.1	59%	0.585	51%	0.51	S	S	*	.	H	α-helix	trans	-63.5	-43.7	172.2	-85.5	-153.3	-176.4	81.5	9.8	112.7	E54 K55 K56 A62	E54-R58 PolarHBondContact O-N 2.82Å; E54-R58 IonicContact OE1-CZ 3.6Å; E54-R58 IonicContact OE1-NH1 2.84Å; E54-R58 PolarHBondContact OE1-NH1 3.01Å; E54-R58 IonicContact OE1-NH2 3.72Å; E54-R58 PolarHBondContact OE1-NH2 3.2Å; E54-R58 IonicContact OE2-NH1 3.48Å; K55-R58 PolarHBondContact O-N 3.08Å; K56-R58 VanDerWaalsContact C-N 3.33Å; K56-R58 PolarHBondContact O-N 2.97Å; R58-A62 WeakPolarHBondContact O-CB 3.46Å; R58-A62 PolarHBondContact O-N 3.35Å
59	V	96.6	Very high	93.9	Very high	106 Å²	106	104.2 Å²	104.2	64%	0.642	51%	0.506	S	S	*	.	H	α-helix	trans	-65.9	-42.9	178.3	173.3	0	0	0	0	110.8	K55 K56 A62 K63	K55-V59 WeakPolarHBondContact O-CG2 3.48Å; K55-V59 PolarHBondContact O-N 3.2Å; K55-V59 VanDerWaalsContact O-N 3.14Å; K56-V59 PolarHBondContact O-N 3.27Å; K56-V59 VanDerWaalsContact O-N 3.16Å; V59-A62 PolarHBondContact O-N 3.4Å; V59-K63 PolarHBondContact O-N 3.28Å
60	E	94.9	Very high	94.1	Very high	93 Å²	93	106.1 Å²	106.1	44%	0.435	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-47.2	177.4	-171.1	162.6	-170.1	0	0	111.7	K56 A62 K63 L64	K56-E60 WeakPolarHBondContact O-CB 3.39Å; K56-E60 PolarHBondContact O-N 3.49Å; E60-A62 VanDerWaalsContact C-N 3.31Å; E60-A62 PolarHBondContact O-N 3.41Å; E60-K63 PolarHBondContact O-N 2.89Å; E60-L64 HydrophobicContact CG-CD1 4.22Å; E60-L64 WeakPolarHBondContact O-CG 3.37Å; E60-L64 PolarHBondContact O-N 3.49Å
61	N	92.8	Very high	94.1	Very high	87 Å²	87	107.4 Å²	107.4	47%	0.465	51%	0.509	S	S	.	.	H	α-helix	trans	-61.7	-35.7	173.7	-80.3	-59.1	0	0	0	113	L57 K65	L57-N61 VanDerWaalsContact O-CB 3.24Å; L57-N61 WeakPolarHBondContact O-CB 3.12Å; L57-N61 PolarHBondContact O-N 2.8Å; L57-N61 PolarHBondContact O-ND2 3.2Å; N61-K65 WeakPolarHBondContact O-CB 3.35Å; N61-K65 VanDerWaalsContact O-CG 3.25Å; N61-K65 WeakPolarHBondContact O-CG 2.8Å; N61-K65 PolarHBondContact O-N 2.98Å
62	A	95.7	Very high	93.9	Very high	62 Å²	62	108.3 Å²	108.3	51%	0.512	51%	0.51	S	S	.	.	H	α-helix	trans	-67.5	-40.8	175	0	0	0	0	0	111.7	R58 V59 E60 K66	R58-A62 WeakPolarHBondContact O-CB 3.46Å; R58-A62 PolarHBondContact O-N 3.35Å; V59-A62 PolarHBondContact O-N 3.4Å; E60-A62 VanDerWaalsContact C-N 3.31Å; E60-A62 PolarHBondContact O-N 3.41Å; A62-K66 PolarHBondContact O-N 3.47Å
63	K	96.6	Very high	93.9	Very high	138 Å²	138	105.4 Å²	105.4	60%	0.6	50%	0.503	S	S	*	.	H	α-helix	trans	-63.7	-50.8	174.7	-169.4	-162.8	173	-144.5	0	111.3	V59 E60 K65 K66 E67	V59-K63 PolarHBondContact O-N 3.28Å; E60-K63 PolarHBondContact O-N 2.89Å; K63-K65 VanDerWaalsContact C-N 3.29Å; K63-K65 PolarHBondContact O-N 3.07Å; K63-K66 WeakPolarHBondContact O-CB 3.29Å; K63-K66 PolarHBondContact O-N 3.37Å; K63-E67 IonicContact NZ-OE2 2.84Å; K63-E67 PolarHBondContact O-N 2.79Å
64	L	93.7	Very high	93.9	Very high	80 Å²	80	105.6 Å²	105.6	42%	0.419	50%	0.504	S	S	.	.	H	α-helix	trans	-59.6	-38.5	179.2	-70.3	171.1	0	0	0	111.9	E60 K66 E67 I68	E60-L64 HydrophobicContact CG-CD1 4.22Å; E60-L64 WeakPolarHBondContact O-CG 3.37Å; E60-L64 PolarHBondContact O-N 3.49Å; L64-K66 PolarHBondContact O-N 2.91Å; L64-E67 PolarHBondContact O-N 2.94Å; L64-I68 WeakPolarHBondContact O-CB 3.29Å; L64-I68 WeakPolarHBondContact O-CD1 3.48Å; L64-I68 WeakPolarHBondContact O-CG1 3.12Å; L64-I68 PolarHBondContact O-N 3.16Å
65	K	92.6	Very high	93.8	Very high	152 Å²	152	106.5 Å²	106.5	66%	0.661	51%	0.511	S	S	*	.	H	α-helix	trans	-62.2	-39.7	173.1	-78.9	176.9	178.7	-172.7	0	112.9	N61 K63 E69	N61-K65 WeakPolarHBondContact O-CB 3.35Å; N61-K65 VanDerWaalsContact O-CG 3.25Å; N61-K65 WeakPolarHBondContact O-CG 2.8Å; N61-K65 PolarHBondContact O-N 2.98Å; K63-K65 VanDerWaalsContact C-N 3.29Å; K63-K65 PolarHBondContact O-N 3.07Å; K65-E69 WeakPolarHBondContact O-CB 3.45Å; K65-E69 PolarHBondContact O-N 2.98Å; K65-E69 VanDerWaalsContact O-N 3.1Å
66	K	96.4	Very high	93.4	Very high	127 Å²	127	103.4 Å²	103.4	55%	0.552	50%	0.5	S	S	*	.	H	α-helix	trans	-66.9	-45.2	175.9	-173.9	175.4	-178.7	-77.9	0	111.3	A62 K63 L64 I68 E69 E70	A62-K66 PolarHBondContact O-N 3.47Å; K63-K66 WeakPolarHBondContact O-CB 3.29Å; K63-K66 PolarHBondContact O-N 3.37Å; L64-K66 PolarHBondContact O-N 2.91Å; K66-I68 PolarHBondContact O-N 2.89Å; K66-E69 PolarHBondContact O-N 2.83Å; K66-E69 VanDerWaalsContact O-N 3.1Å; K66-E70 IonicContact NZ-OE1 3.3Å; K66-E70 PolarHBondContact NZ-OE1 2.93Å; K66-E70 IonicContact NZ-OE2 3.8Å; K66-E70 WeakPolarHBondContact O-CG 3.48Å; K66-E70 PolarHBondContact O-N 2.82Å
67	E	95.8	Very high	93	Very high	79 Å²	79	102.2 Å²	102.2	37%	0.369	50%	0.497	S	S	.	.	H	α-helix	trans	-63.4	-40.2	178.6	-169.9	164.4	-175.2	0	0	111.8	K63 L64 E69 E70 L71	K63-E67 IonicContact NZ-OE2 2.84Å; K63-E67 PolarHBondContact O-N 2.79Å; L64-E67 PolarHBondContact O-N 2.94Å; E67-E69 VanDerWaalsContact C-N 3.34Å; E67-E69 PolarHBondContact O-N 2.87Å; E67-E70 PolarHBondContact O-N 2.91Å; E67-L71 HydrophobicContact CG-CD1 4.45Å; E67-L71 WeakPolarHBondContact O-CB 3.19Å; E67-L71 VanDerWaalsContact O-CG 3.3Å; E67-L71 WeakPolarHBondContact O-CG 3.28Å; E67-L71 PolarHBondContact O-N 2.82Å
68	I	93.5	Very high	92.5	Very high	94 Å²	94	100.1 Å²	100.1	48%	0.482	49%	0.491	S	S	.	.	H	α-helix	trans	-61.1	-41.3	170.6	-74	165.2	0	0	0	111.6	L64 K66 K72	L64-I68 WeakPolarHBondContact O-CB 3.29Å; L64-I68 WeakPolarHBondContact O-CD1 3.48Å; L64-I68 WeakPolarHBondContact O-CG1 3.12Å; L64-I68 PolarHBondContact O-N 3.16Å; K66-I68 PolarHBondContact O-N 2.89Å; I68-K72 HydrophobicContact CG2-CD 4.44Å; I68-K72 WeakPolarHBondContact O-CB 3.29Å; I68-K72 VanDerWaalsContact O-CG 3.26Å; I68-K72 WeakPolarHBondContact O-CG 3.2Å; I68-K72 PolarHBondContact O-N 2.89Å
69	E	93.4	Very high	92.2	Very high	84 Å²	84	96.1 Å²	96.1	39%	0.393	48%	0.479	S	S	.	.	H	α-helix	trans	-72.7	-36.1	-179.1	-160.6	59.4	-154.2	0	0	112.2	K65 K66 E67 K72 Q73	K65-E69 WeakPolarHBondContact O-CB 3.45Å; K65-E69 PolarHBondContact O-N 2.98Å; K65-E69 VanDerWaalsContact O-N 3.1Å; K66-E69 PolarHBondContact O-N 2.83Å; K66-E69 VanDerWaalsContact O-N 3.1Å; E67-E69 VanDerWaalsContact C-N 3.34Å; E67-E69 PolarHBondContact O-N 2.87Å; E69-K72 PolarHBondContact O-N 2.71Å; E69-K72 WeakPolarHBondContact OE2-CD 3.28Å; E69-K72 IonicContact OE2-NZ 2.62Å; E69-K72 PolarHBondContact OE2-NZ 3.1Å; E69-Q73 VanDerWaalsContact O-CG 3.31Å; E69-Q73 WeakPolarHBondContact O-CG 3.05Å; E69-Q73 PolarHBondContact O-N 3.48Å
70	E	95.4	Very high	91.5	Very high	95 Å²	95	95.8 Å²	95.8	44%	0.444	47%	0.472	S	S	.	.	H	α-helix	trans	-63.3	-48.7	171.6	-72.9	172.2	159.9	0	0	111.4	K66 E67 K72 Q73 E74	K66-E70 IonicContact NZ-OE1 3.3Å; K66-E70 PolarHBondContact NZ-OE1 2.93Å; K66-E70 IonicContact NZ-OE2 3.8Å; K66-E70 WeakPolarHBondContact O-CG 3.48Å; K66-E70 PolarHBondContact O-N 2.82Å; E67-E70 PolarHBondContact O-N 2.91Å; E70-K72 VanDerWaalsContact C-N 3.32Å; E70-K72 PolarHBondContact O-N 2.94Å; E70-Q73 PolarHBondContact O-N 3.1Å; E70-Q73 VanDerWaalsContact O-N 3.1Å; E70-E74 PolarHBondContact O-N 3.35Å
71	L	92.3	Very high	90.9	Very high	101 Å²	101	99 Å²	99	53%	0.529	49%	0.488	S	S	.	.	H	α-helix	trans	-63.3	-35.1	176.8	-73.4	169.8	0	0	0	112.9	E67 L75	E67-L71 HydrophobicContact CG-CD1 4.45Å; E67-L71 WeakPolarHBondContact O-CB 3.19Å; E67-L71 VanDerWaalsContact O-CG 3.3Å; E67-L71 WeakPolarHBondContact O-CG 3.28Å; E67-L71 PolarHBondContact O-N 2.82Å; L71-L75 WeakPolarHBondContact O-CB 3.4Å; L71-L75 PolarHBondContact O-N 2.89Å
72	K	90.4	Very high	90.4	Very high	99 Å²	99	101.2 Å²	101.2	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-63.4	-45.5	170.8	-77.7	175.1	-164.6	163.8	0	111.4	I68 E69 E70 E74 L75 I76	I68-K72 HydrophobicContact CG2-CD 4.44Å; I68-K72 WeakPolarHBondContact O-CB 3.29Å; I68-K72 VanDerWaalsContact O-CG 3.26Å; I68-K72 WeakPolarHBondContact O-CG 3.2Å; I68-K72 PolarHBondContact O-N 2.89Å; E69-K72 PolarHBondContact O-N 2.71Å; E69-K72 WeakPolarHBondContact OE2-CD 3.28Å; E69-K72 IonicContact OE2-NZ 2.62Å; E69-K72 PolarHBondContact OE2-NZ 3.1Å; E70-K72 VanDerWaalsContact C-N 3.32Å; E70-K72 PolarHBondContact O-N 2.94Å; K72-E74 VanDerWaalsContact C-N 3.31Å; K72-E74 PolarHBondContact O-N 2.88Å; K72-L75 PolarHBondContact O-N 3.46Å; K72-I76 VanDerWaalsContact O-CB 3.27Å; K72-I76 WeakPolarHBondContact O-CB 3.48Å; K72-I76 WeakPolarHBondContact O-CD1 3.4Å; K72-I76 WeakPolarHBondContact O-CG1 3.45Å; K72-I76 PolarHBondContact O-N 3.18Å
73	Q	91.4	Very high	89.3	Confident	101 Å²	101	101.4 Å²	101.4	47%	0.472	51%	0.507	S	S	.	.	H	α-helix	trans	-64	-37.7	179.3	-72.7	174.3	16.2	0	0	111.7	E69 E70 I76 Q77	E69-Q73 VanDerWaalsContact O-CG 3.31Å; E69-Q73 WeakPolarHBondContact O-CG 3.05Å; E69-Q73 PolarHBondContact O-N 3.48Å; E70-Q73 PolarHBondContact O-N 3.1Å; E70-Q73 VanDerWaalsContact O-N 3.1Å; Q73-I76 PolarHBondContact O-N 2.88Å; Q73-Q77 WeakPolarHBondContact O-CG 3.46Å; Q73-Q77 PolarHBondContact O-N 3.08Å
74	E	92.1	Very high	88.1	Confident	129 Å²	129	98.5 Å²	98.5	60%	0.603	50%	0.501	S	S	*	.	H	α-helix	trans	-65.5	-46.3	173.6	-171.8	172.8	-160.5	0	0	111.9	E70 K72 I76 Q77 A78	E70-E74 PolarHBondContact O-N 3.35Å; K72-E74 VanDerWaalsContact C-N 3.31Å; K72-E74 PolarHBondContact O-N 2.88Å; E74-I76 VanDerWaalsContact C-N 3.34Å; E74-I76 PolarHBondContact O-N 3.23Å; E74-Q77 PolarHBondContact O-N 2.87Å; E74-A78 WeakPolarHBondContact O-CB 3.5Å; E74-A78 PolarHBondContact O-N 2.94Å
75	L	88	Confident	86.9	Confident	103 Å²	103	103.8 Å²	103.8	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-58.6	-45.4	173.7	-179.5	66.3	0	0	0	111.6	L71 K72 Q77 A78 E79	L71-L75 WeakPolarHBondContact O-CB 3.4Å; L71-L75 PolarHBondContact O-N 2.89Å; K72-L75 PolarHBondContact O-N 3.46Å; L75-Q77 VanDerWaalsContact C-N 3.33Å; L75-Q77 PolarHBondContact O-N 3.5Å; L75-A78 PolarHBondContact O-N 3.09Å; L75-E79 WeakPolarHBondContact O-CB 3.4Å; L75-E79 WeakPolarHBondContact O-CG 3.46Å; L75-E79 PolarHBondContact O-N 3.4Å
76	I	86.5	Confident	85.3	Confident	60 Å²	60	100.4 Å²	100.4	31%	0.308	51%	0.507	S	S	.	.	H	α-helix	trans	-56.5	-45.9	176.1	-76.7	162.2	0	0	0	110.8	K72 Q73 E74 E79 I80 Q86	K72-I76 VanDerWaalsContact O-CB 3.27Å; K72-I76 WeakPolarHBondContact O-CB 3.48Å; K72-I76 WeakPolarHBondContact O-CD1 3.4Å; K72-I76 WeakPolarHBondContact O-CG1 3.45Å; K72-I76 PolarHBondContact O-N 3.18Å; Q73-I76 PolarHBondContact O-N 2.88Å; E74-I76 VanDerWaalsContact C-N 3.34Å; E74-I76 PolarHBondContact O-N 3.23Å; I76-E79 PolarHBondContact O-N 2.92Å; I76-I80 HydrophobicContact CG2-CD1 3.98Å; I76-I80 WeakPolarHBondContact O-CD1 3.37Å; I76-I80 VanDerWaalsContact O-CG1 3.26Å; I76-I80 WeakPolarHBondContact O-CG1 3.47Å; I76-I80 PolarHBondContact O-N 3Å; I76-I80 VanDerWaalsContact O-N 3.1Å; I76-Q86 VanDerWaalsContact CA-NE2 3.33Å; I76-Q86 VanDerWaalsContact CG1-NE2 3.33Å; I76-Q86 VanDerWaalsContact CG2-OE1 3.27Å
77	Q	87.1	Confident	84	Confident	119 Å²	119	101.6 Å²	101.6	56%	0.556	52%	0.518	S	S	*	.	H	α-helix	trans	-66.3	-41.5	177.1	-72.7	178.9	26.5	0	0	112.1	Q73 E74 L75 I80 Q81	Q73-Q77 WeakPolarHBondContact O-CG 3.46Å; Q73-Q77 PolarHBondContact O-N 3.08Å; E74-Q77 PolarHBondContact O-N 2.87Å; L75-Q77 VanDerWaalsContact C-N 3.33Å; L75-Q77 PolarHBondContact O-N 3.5Å; Q77-I80 PolarHBondContact O-N 3.42Å; Q77-Q81 WeakPolarHBondContact O-CB 3.21Å; Q77-Q81 WeakPolarHBondContact O-CG 3.35Å; Q77-Q81 PolarHBondContact O-N 2.83Å
78	A	84.5	Confident	82.3	Confident	38 Å²	38	103.6 Å²	103.6	31%	0.314	54%	0.537	S	S	.	.	H	α-helix	trans	-64.6	-39.7	177.1	0	0	0	0	0	112.3	E74 L75 Q81 N82	E74-A78 WeakPolarHBondContact O-CB 3.5Å; E74-A78 PolarHBondContact O-N 2.94Å; L75-A78 PolarHBondContact O-N 3.09Å; A78-Q81 PolarHBondContact O-N 2.86Å; A78-N82 WeakPolarHBondContact O-CB 3.31Å; A78-N82 PolarHBondContact O-N 3.46Å; A78-N82 PolarHBondContact O-ND2 2.93Å
79	E	85.5	Confident	80.3	Confident	72 Å²	72	108 Å²	108	34%	0.336	55%	0.554	S	S	.	*	H	α-helix	trans	-60.7	-46.9	173.3	-77.2	178.8	168.5	0	0	111.8	L75 I76 N82 G83 V84 Q86	L75-E79 WeakPolarHBondContact O-CB 3.4Å; L75-E79 WeakPolarHBondContact O-CG 3.46Å; L75-E79 PolarHBondContact O-N 3.4Å; I76-E79 PolarHBondContact O-N 2.92Å; E79-N82 CarbonylContact O-C 3.49Å; E79-N82 PolarHBondContact O-N 2.96Å; E79-G83 PolarHBondContact O-N 3.09Å; E79-V84 HydrophobicContact CB-CB 4.16Å; E79-V84 WeakPolarHBondContact O-CB 3.48Å; E79-V84 PolarHBondContact O-N 2.86Å; E79-Q86 PolarHBondContact OE2-NE2 3.37Å
80	I	83.1	Confident	78.3	Confident	98 Å²	98	109.6 Å²	109.6	50%	0.503	57%	0.571	S	S	.	*	H	α-helix	trans	-63.3	-42.9	178	-68.1	165.6	0	0	0	111.1	I76 Q77 N82 G83 Q86	I76-I80 HydrophobicContact CG2-CD1 3.98Å; I76-I80 WeakPolarHBondContact O-CD1 3.37Å; I76-I80 VanDerWaalsContact O-CG1 3.26Å; I76-I80 WeakPolarHBondContact O-CG1 3.47Å; I76-I80 PolarHBondContact O-N 3Å; I76-I80 VanDerWaalsContact O-N 3.1Å; Q77-I80 PolarHBondContact O-N 3.42Å; I80-N82 VanDerWaalsContact C-N 3.27Å; I80-N82 PolarHBondContact O-N 2.96Å; I80-G83 PolarHBondContact O-N 2.88Å; I80-Q86 HydrophobicContact CD1-CG 4.42Å; I80-Q86 HydrophobicContact CG1-CG 4.07Å
81	Q	81.6	Confident	76	Confident	161 Å²	161	110.1 Å²	110.1	75%	0.752	59%	0.585	S	S	*	*	H	α-helix	trans	-61.9	-34.6	175.5	-75.6	179.2	9.7	0	0	112.6	Q77 A78 G83	Q77-Q81 WeakPolarHBondContact O-CB 3.21Å; Q77-Q81 WeakPolarHBondContact O-CG 3.35Å; Q77-Q81 PolarHBondContact O-N 2.83Å; A78-Q81 PolarHBondContact O-N 2.86Å; Q81-G83 PolarHBondContact O-N 2.96Å
82	N	82.2	Confident	73.7	Confident	134 Å²	134	108.9 Å²	108.9	72%	0.717	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	9.6	174.6	-70.8	-60.6	0	0	0	113.6	A78 E79 I80	A78-N82 WeakPolarHBondContact O-CB 3.31Å; A78-N82 PolarHBondContact O-N 3.46Å; A78-N82 PolarHBondContact O-ND2 2.93Å; E79-N82 CarbonylContact O-C 3.49Å; E79-N82 PolarHBondContact O-N 2.96Å; I80-N82 VanDerWaalsContact C-N 3.27Å; I80-N82 PolarHBondContact O-N 2.96Å
83	G	72.4	Confident	71	Confident	65 Å²	65	110.4 Å²	110.4	67%	0.67	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	80.1	11.2	174.1	0	0	0	0	0	115.3	E79 I80 Q81 K85	E79-G83 PolarHBondContact O-N 3.09Å; I80-G83 PolarHBondContact O-N 2.88Å; Q81-G83 PolarHBondContact O-N 2.96Å; G83-K85 PolarHBondContact O-N 3.12Å
84	V	72	Confident	68.6	Low	77 Å²	77	110.9 Å²	110.9	47%	0.467	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-77.8	121.6	177.8	-175.7	0	0	0	0	109.6	E79 Q86	E79-V84 HydrophobicContact CB-CB 4.16Å; E79-V84 WeakPolarHBondContact O-CB 3.48Å; E79-V84 PolarHBondContact O-N 2.86Å; V84-Q86 PolarHBondContact O-N 2.89Å
85	K	68.2	Low	65.7	Low	191 Å²	191	113.3 Å²	113.3	83%	0.83	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-73.8	119.2	173.1	-74	-176.2	178.2	178.6	0	110	G83	G83-K85 PolarHBondContact O-N 3.12Å
86	Q	59.9	Low	63.2	Low	82 Å²	82	117.5 Å²	117.5	38%	0.383	66%	0.66	S	S	.	*	P	Polyproline II helix	trans	-73.9	138.8	173.9	-61.6	-152.9	-38.6	0	0	112.1	I76 E79 I80 V84	I76-Q86 VanDerWaalsContact CA-NE2 3.33Å; I76-Q86 VanDerWaalsContact CG1-NE2 3.33Å; I76-Q86 VanDerWaalsContact CG2-OE1 3.27Å; E79-Q86 PolarHBondContact OE2-NE2 3.37Å; I80-Q86 HydrophobicContact CD1-CG 4.42Å; I80-Q86 HydrophobicContact CG1-CG 4.07Å; V84-Q86 PolarHBondContact O-N 2.89Å
87	I	68	Low	60.8	Low	152 Å²	152	118.7 Å²	118.7	78%	0.779	68%	0.678	S	S	*	*			trans	-107.9	118.4	174.9	-53.9	174.6	0	0	0	106.6	F89	I87-F89 PolarHBondContact O-N 3.42Å
88	P	61.5	Low	58.2	Low	120 Å²	120	120.1 Å²	120.1	78%	0.779	69%	0.69	S	S	*	*			trans	-59.8	124.2	178	-23.3	33.6	0	0	0	110.9
89	F	51.2	Low	55.7	Low	188 Å²	188	123.3 Å²	123.3	83%	0.825	71%	0.71	S	S	*	*			trans	-83	128.1	175.9	-149.1	-86.5	0	0	0	109.5	I87 S91	I87-F89 PolarHBondContact O-N 3.42Å; F89-S91 PolarHBondContact O-N 2.87Å
90	P	50.8	Low	53	Low	117 Å²	117	128 Å²	128	76%	0.76	73%	0.734	S	S	*	*			trans	-77.1	84.1	179.6	30.8	-34.1	0	0	0	110.8
91	S	46.5	Very low	50.4	Low	106 Å²	106	129.2 Å²	129.2	74%	0.741	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-77	119.9	168.2	31.7	0	0	0	0	110.3	F89 T93	F89-S91 PolarHBondContact O-N 2.87Å; S91-T93 PolarHBondContact O-N 3.27Å
92	G	43.8	Very low	48	Very low	75 Å²	75	125.4 Å²	125.4	77%	0.773	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-61.8	132.6	-171.7	0	0	0	0	0	114.4
93	T	34.6	Very low	45.3	Very low	131 Å²	131	126.7 Å²	126.7	80%	0.804	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-67.7	133	174.8	-30	0	0	0	0	111	S91 L95	S91-T93 PolarHBondContact O-N 3.27Å; T93-L95 PolarHBondContact O-N 2.79Å
94	P	41.9	Very low	43.3	Very low	111 Å²	111	130.2 Å²	130.2	72%	0.721	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-63.4	129.1	159.7	-15.6	30	0	0	0	108.8	Q96	P94-Q96 PolarHBondContact O-N 2.89Å
95	L	29.5	Very low	41.3	Very low	180 Å²	180	131.9 Å²	131.9	94%	0.942	75%	0.752	S	S	*	*			trans	-61.9	102.9	179.2	-72.5	163	0	0	0	111.1	T93	T93-L95 PolarHBondContact O-N 2.79Å
96	Q	36.1	Very low	39.5	Very low	191 Å²	191	128.3 Å²	128.3	89%	0.893	75%	0.746	S	S	*	*			trans	-93.1	108.5	153.5	-77.6	-168.5	-11.3	0	0	108.5	P94 N98	P94-Q96 PolarHBondContact O-N 2.89Å; Q96-N98 PolarHBondContact O-N 2.87Å
97	A	36.5	Very low	38.1	Very low	85 Å²	85	132.6 Å²	132.6	70%	0.702	77%	0.766	S	S	*	*			trans	-79.1	111.4	170.4	0	0	0	0	0	109.6
98	N	32	Very low	36.4	Very low	148 Å²	148	129.6 Å²	129.6	79%	0.791	76%	0.759	S	S	*	*				-178.3	122.7	112.6	-91.3	-15.1	0	0	0	113.3	Q96	Q96-N98 PolarHBondContact O-N 2.87Å
99	S	32.8	Very low	34.7	Very low	105 Å²	105	130.1 Å²	130.1	73%	0.734	76%	0.76	S	S	*	*			trans	32.5	120.3	139.8	-52.2	0	0	0	0	120.6
100	M	27.6	Very low	34.6	Very low	170 Å²	170	126.2 Å²	126.2	84%	0.837	75%	0.753	S	S	*	*				-177.6	132.9	91.2	-96.2	-176.6	99.8	0	0	112.4
101	V	29	Very low	33.4	Very low	124 Å²	124	127.5 Å²	127.5	75%	0.752	75%	0.753	S	S	*	*			trans	32.1	146.8	153.5	-77.4	0	0	0	0	121.9
102	S	31	Very low	32.5	Very low	82 Å²	82	128.6 Å²	128.6	57%	0.573	76%	0.755	S	S	*	*			cis	-155.7	163.4	3.9	-127.3	0	0	0	0	111.9
103	E	26.6	Very low	31.7	Very low	160 Å²	160	129 Å²	129	75%	0.748	75%	0.751	S	S	*	*			trans	21.3	128.2	144.2	-63.7	154.2	125.6	0	0	119.1
104	N	30.1	Very low	31.4	Very low	139 Å²	139	129.2 Å²	129.2	74%	0.743	75%	0.752	S	S	*	*				-171.9	151.2	67.7	-114.1	-28.2	0	0	0	114.6
105	V	29.9	Very low	30.9	Very low	112 Å²	112	129.2 Å²	129.2	68%	0.679	76%	0.755	S	S	*	*			trans	51.6	108.2	137.9	172.8	0	0	0	0	118.4
106	V	31	Very low	30.9	Very low	116 Å²	116	125.8 Å²	125.8	70%	0.703	75%	0.746	S	S	*	*				69.2	127	79	165.8	0	0	0	0	111.5
107	Q	29.4	Very low	30.4	Very low	173 Å²	173	119.9 Å²	119.9	81%	0.808	74%	0.737	S	S	*	*			cis	-165.3	175	21.9	-138.5	160.9	6	0	0	113.5
108	S	31.9	Very low	29.9	Very low	89 Å²	89	123 Å²	123	62%	0.622	75%	0.747	S	S	*	*			trans	49.7	113.9	151.1	56.5	0	0	0	0	121.6
109	T	27.1	Very low	29.5	Very low	130 Å²	130	125 Å²	125	80%	0.798	75%	0.749	S	S	*	*				53.5	149.9	72.5	70.6	0	0	0	0	117.1
110	P	48.5	Very low	29.2	Very low	106 Å²	106	129.3 Å²	129.3	69%	0.688	76%	0.757	S	S	*	*				-136.5	-159.2	-62.9	36.4	-15.3	0	0	0	111.9
111	L	26.4	Very low	29.1	Very low	144 Å²	144	130 Å²	130	75%	0.754	76%	0.758	S	S	*	*			trans	118	127.6	151.4	-64.5	167.6	0	0	0	119
112	T	25.8	Very low	29.2	Very low	130 Å²	130	132.6 Å²	132.6	80%	0.798	77%	0.766	S	S	*	*			trans	55.7	154	138.2	58.6	0	0	0	0	121.6
113	A	27.4	Very low	28.9	Very low	83 Å²	83	138.3 Å²	138.3	69%	0.686	78%	0.781	S	S	*	*			cis	-175.7	-167	-18.7	0	0	0	0	0	108.3
114	V	29.4	Very low	28.7	Very low	136 Å²	136	134.7 Å²	134.7	82%	0.824	79%	0.786	S	S	*	*			trans	94.4	111.1	154.6	-170.6	0	0	0	0	119.5
115	S	30.9	Very low	28.5	Very low	110 Å²	110	131.5 Å²	131.5	77%	0.769	79%	0.786	S	S	*	*			trans	58.3	156.7	140.3	-147	0	0	0	0	119.9
116	S	30.3	Very low	28.2	Very low	108 Å²	108	133.5 Å²	133.5	76%	0.755	80%	0.798	S	S	*	*			cis	-156.1	157.3	-2.2	-0.7	0	0	0	0	105.4
117	G	24.3	Very low	27.9	Very low	68 Å²	68	131.9 Å²	131.9	70%	0.701	81%	0.805	S	S	*	*			cis	101.9	96.7	30.9	0	0	0	0	0	111.4
118	T	25.6	Very low	27.7	Very low	150 Å²	150	130.1 Å²	130.1	92%	0.92	80%	0.802	S	S	*	*			trans	-177.6	150.3	148.7	-75.8	0	0	0	0	111.7
119	K	24.9	Very low	27.4	Very low	190 Å²	190	135.1 Å²	135.1	83%	0.826	82%	0.815	S	S	*	*			trans	-90.1	163.5	-178.1	-66.3	168.9	167.2	173.6	0	112.9
120	E	25.7	Very low	27.3	Very low	196 Å²	196	137.3 Å²	137.3	92%	0.916	81%	0.814	S	S	*	*				-170.4	165.8	108.7	-106	-177.5	159.5	0	0	115.4
121	Q	26.1	Very low	26.2	Very low	183 Å²	183	142.3 Å²	142.3	86%	0.855	83%	0.825	S	S	*	*			trans	-112	158.6	-179.5	-67.2	179.2	-45	0	0	111.2
122	I	30.1	Very low	26.2	Very low	179 Å²	179	139.2 Å²	139.2	92%	0.918	82%	0.82	S	S	*	*			trans	-155.5	176.9	138	-116.4	163.8	0	0	0	112.5
123	K	26.2	Very low	26.2	Very low	203 Å²	203	141.8 Å²	141.8	88%	0.883	82%	0.82	S	S	*	*			trans	-158.8	133.6	-134.9	179.9	-172.1	-176.5	-174.8	0	114.9
124	G	22.6	Very low	26.1	Very low	83 Å²	83	145.1 Å²	145.1	86%	0.856	82%	0.821	S	S	*	*			trans	122.3	159.6	175.3	0	0	0	0	0	112.6
125	G	25.2	Very low	25.9	Very low	72 Å²	72	147.8 Å²	147.8	74%	0.742	82%	0.822	S	S	*	*			cis	139.6	148.2	3	0	0	0	0	0	109.9
126	T	24	Very low	25.9	Very low	154 Å²	154	150.5 Å²	150.5	95%	0.945	83%	0.826	S	S	*	*			cis	-162.7	154.9	-0.9	-51.3	0	0	0	0	108.3
127	G	24.1	Very low	25.7	Very low	82 Å²	82	153.5 Å²	153.5	85%	0.845	83%	0.828	S	S	*	*			trans	-163.6	125.5	177	0	0	0	0	0	115.7
128	D	25.4	Very low	25.9	Very low	137 Å²	137	159.9 Å²	159.9	73%	0.733	84%	0.836	S	S	*	*			trans	-119	148.5	-173.1	-167.5	-15.5	0	0	0	109.2
129	E	25.9	Very low	25.9	Very low	194 Å²	194	162.9 Å²	162.9	91%	0.907	84%	0.836	S	S	*	*			trans	-171.7	161.6	139.7	-111.3	-167.8	166.5	0	0	115.8
130	K	25.7	Very low	25.9	Very low	176 Å²	176	156.9 Å²	156.9	77%	0.765	83%	0.829	S	S	*	*			trans	-116.7	153.1	-165.3	-62.5	163.3	177.2	162	0	113.8
131	K	25.2	Very low	26	Very low	211 Å²	211	156 Å²	156	92%	0.917	83%	0.825	S	S	*	*			trans	160.5	163	132.3	-90.3	159.4	-178.6	170.2	0	110.2
132	A	26.4	Very low	26.2	Very low	79 Å²	79	155 Å²	155	65%	0.653	82%	0.818	S	S	*	*			cis	164	132.6	-36.1	0	0	0	0	0	107.8
133	K	24.5	Very low	26.1	Very low	183 Å²	183	155.1 Å²	155.1	80%	0.796	81%	0.811	S	S	*	*			trans	68	159.9	169.5	-59.8	172.2	145.8	-136.9	0	116
134	E	26.4	Very low	26.3	Very low	154 Å²	154	155 Å²	155	72%	0.72	81%	0.814	S	S	*	*			cis	-150.5	163	12.3	-147.4	142.5	-130.9	0	0	113.6
135	K	25.7	Very low	26.8	Very low	191 Å²	191	160.3 Å²	160.3	83%	0.83	81%	0.814	S	S	*	*			trans	-85.9	140.5	168.1	-82.3	-179.3	169.4	-174.3	0	110.6
136	I	29.1	Very low	27.1	Very low	167 Å²	167	166.2 Å²	166.2	86%	0.856	82%	0.819	S	S	*	*			trans	-142.5	135.3	146.4	-65.4	-170.4	0	0	0	110.7
137	E	26.6	Very low	27.5	Very low	171 Å²	171	167.1 Å²	167.1	80%	0.799	81%	0.812	S	S	*	*			trans	-100.6	147.9	170	-59.5	175.3	139.5	0	0	111.9
138	K	27.7	Very low	27.9	Very low	202 Å²	202	172.2 Å²	172.2	88%	0.878	81%	0.814	S	S	*	*			trans	169.6	122.4	150.1	-96.9	160.4	-177.3	-179.6	0	107.1
139	K	25.6	Very low	28.3	Very low	213 Å²	213	171.2 Å²	171.2	93%	0.926	82%	0.818	S	S	*	*			cis	78.5	116.2	36.8	-158.3	179.4	-175.7	-179.8	0	114.1
140	G	25.7	Very low	29.1	Very low	65 Å²	65	168.6 Å²	168.6	67%	0.67	82%	0.815	S	S	*	*			trans	110.2	103	-179.2	0	0	0	0	0	111.2
141	E	28.2	Very low	29.8	Very low	178 Å²	178	165 Å²	165	83%	0.832	82%	0.818	S	S	*	*				50.1	131.3	80.6	-67.5	-164	93.8	0	0	113.3
142	K	29.6	Very low	30.3	Very low	161 Å²	161	157.7 Å²	157.7	70%	0.7	80%	0.803	S	S	*	*			cis	-164	147.4	36.9	-146.8	170.6	-164.2	164.9	0	112.9
143	K	28	Very low	31	Very low	181 Å²	181	159.2 Å²	159.2	79%	0.787	81%	0.808	S	S	*	*			trans	27.3	129.8	151.8	-68.9	177	177.9	178.5	0	120.3
144	E	30.3	Very low	32.1	Very low	201 Å²	201	154 Å²	154	94%	0.939	80%	0.8	S	S	*	*				-141.4	157.8	114	-131.1	173.2	-157.4	0	0	113.2
145	K	32.6	Very low	33.1	Very low	195 Å²	195	153.3 Å²	153.3	85%	0.848	80%	0.801	S	S	*	*			trans	-87.7	143.1	-164.8	-68	169.9	172.8	174.5	0	112.3
146	K	31.5	Very low	34.7	Very low	196 Å²	196	149.2 Å²	149.2	85%	0.852	80%	0.797	S	S	*	*			trans	-140.9	102.5	137.7	-116.2	172.1	-174.9	176.2	0	112.8
147	Q	32.6	Very low	36.6	Very low	173 Å²	173	145.7 Å²	145.7	81%	0.808	78%	0.775	S	S	*	*			trans	42.2	112.1	150.3	-74.9	153.3	-35.1	0	0	119.9
148	Q	32.8	Very low	39.2	Very low	188 Å²	188	141.8 Å²	141.8	88%	0.879	76%	0.764	S	S	*	*			trans	-57.8	129.7	158	-66.1	153.1	-71.6	0	0	110.8
149	S	33.3	Very low	42	Very low	116 Å²	116	135.6 Å²	135.6	81%	0.811	74%	0.74	S	S	*	*			trans	-96.3	138.4	140.6	54.3	0	0	0	0	107.9	A151	S149-A151 PolarHBondContact O-N 2.72Å; S149-A151 VanDerWaalsContact O-N 3.17Å
150	V	43.5	Very low	45.2	Very low	140 Å²	140	126.3 Å²	126.3	85%	0.848	70%	0.701	S	S	*	*			trans	-87.1	92.2	-166.2	-163.8	0	0	0	0	110.2	G152	V150-G152 PolarHBondContact O-N 3.01Å
151	A	39.4	Very low	48.5	Very low	100 Å²	100	123.3 Å²	123.3	83%	0.826	67%	0.669	S	S	*	*			trans	-83	104.8	166.2	0	0	0	0	0	109.3	S149	S149-A151 PolarHBondContact O-N 2.72Å; S149-A151 VanDerWaalsContact O-N 3.17Å
152	G	36.2	Very low	51.6	Low	58 Å²	58	115.6 Å²	115.6	60%	0.598	64%	0.635	S	S	*	*			trans	-66.1	132.6	-177.1	0	0	0	0	0	113.9	V150 A154	V150-G152 PolarHBondContact O-N 3.01Å; G152-A154 PolarHBondContact O-N 3.17Å
153	S	42.4	Very low	54.7	Low	110 Å²	110	108.7 Å²	108.7	77%	0.769	60%	0.604	S	S	*	*			trans	18.1	94.3	152	57	0	0	0	0	118.2
154	A	46.6	Very low	57.9	Low	75 Å²	75	100.4 Å²	100.4	62%	0.62	57%	0.569	S	S	*	*			trans	-112.6	36.5	164.6	0	0	0	0	0	112	G152 K277	G152-A154 PolarHBondContact O-N 3.17Å; A154-K277 PolarHBondContact O-NZ 3.36Å
155	D	48.5	Very low	61.1	Low	138 Å²	138	91.6 Å²	91.6	74%	0.738	53%	0.528	S	S	*	.	S	Bend	trans	-126.5	11.5	-173.2	-100.2	-29.6	0	0	0	115.1	K277	D155-K277 WeakPolarHBondContact OD1-CE 3.37Å; D155-K277 IonicContact OD1-NZ 3.15Å; D155-K277 PolarHBondContact OD1-NZ 2.93Å; D155-K277 IonicContact OD2-NZ 3.94Å
156	S	58.3	Low	64.2	Low	106 Å²	106	82.4 Å²	82.4	74%	0.741	49%	0.488	S	S	*	.			trans	-125.4	14.6	175.1	67.6	0	0	0	0	114.1
157	K	69.3	Low	67.3	Low	93 Å²	93	74.8 Å²	74.8	40%	0.404	45%	0.454	S	S	.	.	S	Bend	trans	-70.5	136.3	167.2	-77.2	-167.6	179.2	-175.6	0	108.8	E268 D270	K157-E268 PolarHBondContact NZ-O 3.37Å; K157-E268 VanDerWaalsContact NZ-O 3.1Å; K157-D270 IonicContact NZ-OD1 3.95Å; K157-D270 PolarHBondContact NZ-OD1 2.93Å
158	P	79.9	Confident	70.5	Confident	88 Å²	88	66.6 Å²	66.6	57%	0.571	42%	0.416	S	S	*	.			trans	-56.9	151.7	168.5	26.8	-34.7	0	0	0	110.8	D160 R163	P158-D160 WeakPolarHBondContact CB-OD2 3.3Å; P158-D160 VanDerWaalsContact CG-OD2 3.23Å; P158-D160 WeakPolarHBondContact CG-OD2 3.33Å; P158-D160 PolarHBondContact O-N 3.49Å; P158-R163 VanDerWaalsContact O-CD 3.25Å; P158-R163 WeakPolarHBondContact O-CD 3.25Å
159	I	87.6	Confident	73.6	Confident	72 Å²	72	57.6 Å²	57.6	37%	0.369	37%	0.374	S	S	.	.			trans	-97.4	89.8	177.6	-58.8	179.6	0	0	0	107.3	I279 Q282 I283	I159-I279 HydrophobicContact CG2-CG2 4.47Å; I159-Q282 VanDerWaalsContact CD1-OE1 3.31Å; I159-Q282 HydrophobicContact CG2-CB 3.9Å; I159-I283 HydrophobicContact CG2-CG1 4.26Å
160	D	93.1	Very high	76.6	Confident	19 Å²	19	53.3 Å²	53.3	10%	0.102	34%	0.343	C	S	.	.	S	Bend	trans	-142.4	176.8	179	62.5	61.4	0	0	0	110.9	P158 S162 R163 F265 I283 Y297	P158-D160 WeakPolarHBondContact CB-OD2 3.3Å; P158-D160 VanDerWaalsContact CG-OD2 3.23Å; P158-D160 WeakPolarHBondContact CG-OD2 3.33Å; P158-D160 PolarHBondContact O-N 3.49Å; D160-S162 PolarHBondContact O-N 2.96Å; D160-S162 VanDerWaalsContact O-N 3.13Å; D160-S162 WeakPolarHBondContact OD1-CB 3.3Å; D160-S162 PolarHBondContact OD1-N 3.22Å; D160-S162 PolarHBondContact OD1-OG 3.03Å; D160-R163 PolarHBondContact O-N 2.82Å; D160-F265 HydrophobicContact CB-CD1 3.93Å; D160-F265 HydrophobicContact CB-CE1 4.41Å; D160-I283 WeakPolarHBondContact O-CD1 3.43Å; D160-Y297 HydrophobicContact CB-CE1 4.23Å
161	V	94.3	Very high	79.2	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.006	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-59.6	-22.2	-174.3	72.7	0	0	0	0	114.2	R163 L164 L166 F262 F265 I283 Y297	V161-R163 PolarHBondContact O-N 3.34Å; V161-L164 HydrophobicContact CG2-CD1 4.29Å; V161-L164 WeakPolarHBondContact O-CB 3.45Å; V161-L164 PolarHBondContact O-N 2.87Å; V161-L166 HydrophobicContact CG2-CD1 4.17Å; V161-F262 HydrophobicContact CB-CD2 4.34Å; V161-F262 HydrophobicContact CB-CE2 4.3Å; V161-F262 HydrophobicContact CG1-CB 4.05Å; V161-F262 HydrophobicContact CG1-CD1 4.05Å; V161-F262 HydrophobicContact CG1-CD2 3.49Å; V161-F262 VanDerWaalsContact CG1-CD2 3.49Å; V161-F262 HydrophobicContact CG1-CE1 4.4Å; V161-F262 HydrophobicContact CG1-CE2 3.91Å; V161-F262 HydrophobicContact CG1-CG 3.59Å; V161-F262 HydrophobicContact CG1-CZ 4.34Å; V161-F262 HydrophobicContact CG2-CD2 3.92Å; V161-F262 HydrophobicContact CG2-CE1 4.24Å; V161-F262 HydrophobicContact CG2-CE2 3.4Å; V161-F262 VanDerWaalsContact CG2-CE2 3.4Å; V161-F262 HydrophobicContact CG2-CZ 3.59Å; V161-F265 HydrophobicContact CG1-CB 3.88Å; V161-F265 HydrophobicContact CG1-CD2 3.94Å; V161-F265 HydrophobicContact CG1-CG 4.01Å; V161-I283 HydrophobicContact CB-CG2 4.47Å; V161-Y297 HydrophobicContact CB-CD1 3.56Å; V161-Y297 HydrophobicContact CB-CD2 4.1Å; V161-Y297 HydrophobicContact CB-CE1 3.85Å; V161-Y297 HydrophobicContact CB-CE2 4.35Å; V161-Y297 HydrophobicContact CB-CG 3.7Å; V161-Y297 HydrophobicContact CG1-CD1 3.35Å; V161-Y297 HydrophobicContact CG1-CE1 3.79Å; V161-Y297 HydrophobicContact CG1-CG 3.91Å; V161-Y297 HydrophobicContact CG2-CD1 4.47Å; V161-Y297 HydrophobicContact CG2-CG 4.19Å
162	S	93.9	Very high	81.9	Confident	16 Å²	16	45.4 Å²	45.4	11%	0.112	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-61.3	-18.5	178.4	72.7	0	0	0	0	113.5	D160 F265 E268 P269	D160-S162 PolarHBondContact O-N 2.96Å; D160-S162 VanDerWaalsContact O-N 3.13Å; D160-S162 WeakPolarHBondContact OD1-CB 3.3Å; D160-S162 PolarHBondContact OD1-N 3.22Å; D160-S162 PolarHBondContact OD1-OG 3.03Å; S162-F265 WeakPolarHBondContact CB-O 3.29Å; S162-E268 CarbonylContact O-C 3.57Å; S162-P269 VanDerWaalsContact O-CA 3.28Å; S162-P269 WeakPolarHBondContact O-CA 3.49Å
163	R	94.1	Very high	84.8	Confident	16 Å²	16	45.5 Å²	45.5	6%	0.06	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-78.9	-16.7	176.1	-61.6	-172.3	66.6	165.7	5.7	113.6	P158 D160 V161 N221 D270 I279	P158-R163 VanDerWaalsContact O-CD 3.25Å; P158-R163 WeakPolarHBondContact O-CD 3.25Å; D160-R163 PolarHBondContact O-N 2.82Å; V161-R163 PolarHBondContact O-N 3.34Å; R163-N221 PolarHBondContact O-ND2 3.31Å; R163-D270 IonicContact CZ-OD2 2.71Å; R163-D270 IonicContact NE-OD1 2.56Å; R163-D270 IonicContact NE-OD2 3.7Å; R163-D270 PolarHBondContact NE-OD2 3.41Å; R163-D270 IonicContact NH2-OD1 2.94Å; R163-D270 IonicContact NH2-OD2 3.73Å; R163-D270 PolarHBondContact NH2-OD2 2.92Å; R163-D270 PolarHBondContact O-N 2.87Å; R163-D270 VanDerWaalsContact O-N 3.14Å; R163-I279 HydrophobicContact CB-CG2 4.3Å; R163-I279 VanDerWaalsContact NH2-CD1 3.33Å
164	L	95.8	Very high	87.4	Confident	7 Å²	7	40.7 Å²	40.7	4%	0.037	24%	0.238	C	C	.	.	S	Bend	trans	-87.1	131.1	-180	-57.3	-170.3	0	0	0	110.4	V161 L166 L219 P269 L273 W280 I283 L287	V161-L164 HydrophobicContact CG2-CD1 4.29Å; V161-L164 WeakPolarHBondContact O-CB 3.45Å; V161-L164 PolarHBondContact O-N 2.87Å; L164-L166 HydrophobicContact CB-CD1 4.28Å; L164-L166 HydrophobicContact CB-CG 4.06Å; L164-L166 HydrophobicContact CD1-CD1 4.45Å; L164-L166 PolarHBondContact O-N 2.96Å; L164-L219 HydrophobicContact CB-CD1 3.76Å; L164-L219 HydrophobicContact CD2-CD1 4.21Å; L164-L219 HydrophobicContact CD2-CD2 4.48Å; L164-L219 HydrophobicContact CG-CD1 4.39Å; L164-P269 WeakPolarHBondContact O-CG 3.18Å; L164-L273 HydrophobicContact CD2-CD1 3.67Å; L164-L273 HydrophobicContact CD2-CD2 4.32Å; L164-W280 HydrophobicContact CD1-CE3 3.9Å; L164-W280 HydrophobicContact CD1-CZ3 3.9Å; L164-W280 HydrophobicContact CD2-CE3 4.35Å; L164-I283 HydrophobicContact CD1-CD1 4.43Å; L164-I283 HydrophobicContact CD1-CG2 3.85Å; L164-I283 HydrophobicContact CD2-CD1 3.97Å; L164-I283 HydrophobicContact CG-CD1 4.02Å; L164-L287 HydrophobicContact CD1-CD1 4.44Å
165	D	96.9	Very high	89.7	Confident	16 Å²	16	42.4 Å²	42.4	9%	0.086	23%	0.228	C	C	.	.			trans	-89.5	83.8	174	-165.8	-8.4	0	0	0	108.5	R167 C220 N221 P269	D165-R167 WeakPolarHBondContact OD1-CG 3.22Å; D165-R167 IonicContact OD1-CZ 3.86Å; D165-R167 IonicContact OD1-NE 2.56Å; D165-R167 PolarHBondContact OD1-NE 2.98Å; D165-R167 IonicContact OD1-NH2 2.95Å; D165-R167 IonicContact OD2-CZ 2.67Å; D165-R167 IonicContact OD2-NE 2.63Å; D165-R167 PolarHBondContact OD2-NE 3.32Å; D165-R167 IonicContact OD2-NH2 3.81Å; D165-R167 PolarHBondContact OD2-NH2 3.13Å; D165-C220 HydrophobicContact CB-CB 4.33Å; D165-C220 WeakPolarHBondContact O-CB 3.34Å; D165-C220 PolarHBondContact O-N 2.92Å; D165-N221 HydrophobicContact CB-CB 3.59Å; D165-N221 VanDerWaalsContact CB-CG 3.45Å; D165-N221 VanDerWaalsContact N-CG 3.27Å; D165-N221 PolarHBondContact N-ND2 2.56Å; D165-N221 PolarHBondContact N-OD1 2.67Å; D165-P269 HydrophobicContact CB-CB 3.73Å; D165-P269 HydrophobicContact CB-CG 4.14Å
166	L	97.6	Very high	92	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.9	179.8	-70.5	168.9	0	0	0	110	V161 L164 I217 L218 L219 M237 I260 F262 F302	V161-L166 HydrophobicContact CG2-CD1 4.17Å; L164-L166 HydrophobicContact CB-CD1 4.28Å; L164-L166 HydrophobicContact CB-CG 4.06Å; L164-L166 HydrophobicContact CD1-CD1 4.45Å; L164-L166 PolarHBondContact O-N 2.96Å; L166-I217 HydrophobicContact CD2-CG2 4.36Å; L166-L218 WeakPolarHBondContact CA-O 3.37Å; L166-L219 HydrophobicContact CD2-CB 4.11Å; L166-L219 HydrophobicContact CD2-CD1 4.04Å; L166-L219 HydrophobicContact CG-CD1 4.39Å; L166-M237 HydrophobicContact CD2-CE 4.19Å; L166-M237 HydrophobicContact CD2-CG 3.89Å; L166-M237 HydrophobicContact CD2-SD 3.81Å; L166-I260 HydrophobicContact CB-CB 3.82Å; L166-I260 HydrophobicContact CB-CG1 3.94Å; L166-I260 PolarHBondContact O-N 2.98Å; L166-F262 HydrophobicContact CD1-CE2 4.04Å; L166-F262 HydrophobicContact CD1-CZ 4.12Å; L166-F302 HydrophobicContact CD1-CE2 3.76Å; L166-F302 HydrophobicContact CD1-CZ 3.98Å
167	R	98	Very high	93.8	Very high	36 Å²	36	37 Å²	37	14%	0.136	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	156.2	-178.3	-55.3	-167.7	-164.5	160.5	10.6	112.5	D165 V190 E192 I217 L218 D258 R259	D165-R167 WeakPolarHBondContact OD1-CG 3.22Å; D165-R167 IonicContact OD1-CZ 3.86Å; D165-R167 IonicContact OD1-NE 2.56Å; D165-R167 PolarHBondContact OD1-NE 2.98Å; D165-R167 IonicContact OD1-NH2 2.95Å; D165-R167 IonicContact OD2-CZ 2.67Å; D165-R167 IonicContact OD2-NE 2.63Å; D165-R167 PolarHBondContact OD2-NE 3.32Å; D165-R167 IonicContact OD2-NH2 3.81Å; D165-R167 PolarHBondContact OD2-NH2 3.13Å; R167-V190 HydrophobicContact CB-CG2 3.84Å; R167-E192 IonicContact CZ-OE1 2.81Å; R167-E192 IonicContact NH1-OE1 3.02Å; R167-E192 PolarHBondContact NH1-OE1 2.75Å; R167-E192 IonicContact NH2-OE1 2.67Å; R167-I217 WeakPolarHBondContact O-CA 3.48Å; R167-L218 PolarHBondContact N-O 3.35Å; R167-L218 PolarHBondContact O-N 3.04Å; R167-D258 CarbonylContact C-O 3.37Å; R167-D258 VanDerWaalsContact CA-O 3.26Å; R167-D258 WeakPolarHBondContact CA-O 3.47Å; R167-R259 HydrophobicContact CG-CG 4.37Å
168	I	98.2	Very high	94.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	138.2	167.9	-56.5	-46.2	0	0	0	109.8	M215 V216 I217 P250 V255 G257 D258 I260 V304	I168-M215 HydrophobicContact CG2-CE 3.36Å; I168-V216 WeakPolarHBondContact CA-O 3.48Å; I168-I217 HydrophobicContact CD1-CG1 3.64Å; I168-P250 HydrophobicContact CD1-CB 3.54Å; I168-P250 HydrophobicContact CD1-CG 4.31Å; I168-P250 HydrophobicContact CG1-CB 4.33Å; I168-P250 HydrophobicContact CG2-CG 4.35Å; I168-V255 WeakPolarHBondContact CB-O 3.17Å; I168-G257 PolarHBondContact O-N 2.95Å; I168-D258 HydrophobicContact CB-CB 3.99Å; I168-D258 HydrophobicContact CG1-CB 3.66Å; I168-D258 PolarHBondContact N-O 3.35Å; I168-I260 HydrophobicContact CD1-CD1 3.55Å; I168-I260 HydrophobicContact CG1-CD1 4.35Å; I168-V304 HydrophobicContact CD1-CG2 3.91Å; I168-V304 HydrophobicContact CG1-CG2 3.92Å
169	G	98	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	165.8	167.1	0	0	0	0	0	113.3	D189 M215 V216	G169-D189 CarbonylContact C-O 3.56Å; G169-D189 WeakPolarHBondContact CA-O 3.37Å; G169-M215 WeakPolarHBondContact O-CA 3.42Å; G169-V216 PolarHBondContact N-O 2.9Å; G169-V216 PolarHBondContact O-N 3.43Å
170	C	98	Very high	95.8	Very high	25 Å²	25	36.1 Å²	36.1	17%	0.169	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.7	172.4	-176.3	0	0	0	0	109.5	I172 V188 D189 M215 P256	C170-I172 PolarHBondContact O-N 2.58Å; C170-I172 VanDerWaalsContact O-N 3.12Å; C170-V188 CarbonylContact O-C 3.51Å; C170-V188 WeakPolarHBondContact O-CA 3.15Å; C170-V188 WeakPolarHBondContact O-CG1 3.39Å; C170-D189 PolarHBondContact N-O 2.96Å; C170-D189 PolarHBondContact O-N 3.22Å; C170-M215 HydrophobicContact CB-CE 4.46Å; C170-M215 HydrophobicContact CB-SD 3.64Å; C170-P256 HydrophobicContact CB-CG 3.82Å
171	I	97.8	Very high	95.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	104.4	176.5	-60	173.3	0	0	0	108.4	A174 E186 V188 M211 N213 R214 V216 L236	I171-A174 HydrophobicContact CG2-CB 4.06Å; I171-E186 HydrophobicContact CD1-CG 4.34Å; I171-E186 HydrophobicContact CG2-CB 4.09Å; I171-E186 HydrophobicContact CG2-CG 4.12Å; I171-V188 HydrophobicContact CG1-CG1 4.19Å; I171-V188 HydrophobicContact CG1-CG2 4.15Å; I171-M211 VanDerWaalsContact CB-O 3.28Å; I171-M211 WeakPolarHBondContact CB-O 3.23Å; I171-M211 HydrophobicContact CD1-CE 3.94Å; I171-M211 WeakPolarHBondContact CG2-O 3.33Å; I171-N213 WeakPolarHBondContact O-CA 3.44Å; I171-N213 PolarHBondContact O-N 3.1Å; I171-R214 HydrophobicContact CD1-CB 4.35Å; I171-R214 PolarHBondContact N-O 3.35Å; I171-V216 HydrophobicContact CD1-CG1 3.8Å; I171-V216 HydrophobicContact CG1-CG1 4.21Å; I171-V216 HydrophobicContact CG1-CG2 4.24Å; I171-L236 HydrophobicContact CD1-CD2 4.18Å
172	I	96.3	Very high	95.7	Very high	74 Å²	74	45.1 Å²	45.1	38%	0.379	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	-45.6	-179.7	-48.2	175.3	0	0	0	109.8	C170 E187 D189 P195	C170-I172 PolarHBondContact O-N 2.58Å; C170-I172 VanDerWaalsContact O-N 3.12Å; I172-E187 PolarHBondContact N-O 2.81Å; I172-D189 HydrophobicContact CD1-CB 4.05Å; I172-D189 HydrophobicContact CG1-CB 4.13Å; I172-P195 HydrophobicContact CD1-CB 3.86Å; I172-P195 HydrophobicContact CD1-CG 3.43Å; I172-P195 VanDerWaalsContact CD1-CG 3.43Å
173	T	96.1	Very high	95.8	Very high	61 Å²	61	45.2 Å²	45.2	37%	0.374	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	139.2	175	68.6	0	0	0	0	109.7	E186 E187	T173-E186 CarbonylContact O-C 3.57Å; T173-E186 VanDerWaalsContact O-CA 3.29Å; T173-E186 WeakPolarHBondContact O-CA 3.47Å; T173-E187 PolarHBondContact N-O 2.78Å; T173-E187 PolarHBondContact O-N 3.14Å
174	A	97.1	Very high	96	Very high	9 Å²	9	44.8 Å²	44.8	7%	0.074	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145	163.7	0	0	0	0	0	109.8	I171 E186 L208 M211 Q212	I171-A174 HydrophobicContact CG2-CB 4.06Å; A174-E186 HydrophobicContact CB-CG 4.13Å; A174-L208 HydrophobicContact CB-CD1 3.8Å; A174-L208 WeakPolarHBondContact O-CD1 3.25Å; A174-M211 HydrophobicContact CB-CB 3.59Å; A174-Q212 PolarHBondContact O-NE2 2.7Å
175	R	96.1	Very high	96.1	Very high	111 Å²	111	44.5 Å²	44.5	42%	0.419	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	153	174.8	58.8	-171.8	178.8	-85.9	-0.6	110.1	Y184 V185 E187	R175-Y184 CarbonylContact O-C 3.57Å; R175-Y184 WeakPolarHBondContact O-CA 3.48Å; R175-V185 HydrophobicContact CG-CB 4.14Å; R175-V185 WeakPolarHBondContact CG-O 3.43Å; R175-V185 PolarHBondContact N-O 2.78Å; R175-V185 PolarHBondContact O-N 3.21Å; R175-E187 IonicContact CZ-OE1 3.77Å; R175-E187 VanDerWaalsContact CZ-OE1 3.3Å; R175-E187 IonicContact NH1-OE1 2.83Å; R175-E187 PolarHBondContact NH1-OE1 2.67Å; R175-E187 IonicContact NH2-OE1 3.35Å; R175-E187 PolarHBondContact NH2-OE1 2.81Å
176	K	96.3	Very high	96.1	Very high	123 Å²	123	43.7 Å²	43.7	54%	0.535	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	142.9	170.8	-73.7	-168	173.7	-166	0	110.1	Y184	K176-Y184 HydrophobicContact CG-CD1 4.1Å; K176-Y184 HydrophobicContact CG-CE1 3.73Å
177	H	95.6	Very high	96.2	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.028	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	132.2	174.8	-172.3	-67.9	0	0	0	109.6	D179 A180 L183 V185 M227 R228 V230	H177-D179 VanDerWaalsContact C-N 3.34Å; H177-D179 IonicContact CE1-OD2 3.3Å; H177-D179 PolarHBondContact ND1-N 2.56Å; H177-D179 PolarHBondContact O-N 3.02Å; H177-A180 HydrophobicContact CB-CB 4.09Å; H177-A180 PolarHBondContact ND1-N 3.3Å; H177-A180 PolarHBondContact O-N 2.63Å; H177-L183 HydrophobicContact CB-CB 3.74Å; H177-L183 WeakPolarHBondContact CB-O 3.39Å; H177-L183 PolarHBondContact N-O 2.93Å; H177-V185 HydrophobicContact CB-CG2 3.92Å; H177-M227 PolarHBondContact NE2-O 3.27Å; H177-R228 VanDerWaalsContact CE1-CB 3.46Å; H177-R228 WeakPolarHBondContact CE1-CB 3.4Å; H177-R228 PolarHBondContact CE1-O 3.05Å; H177-V230 WeakPolarHBondContact NE2-CG2 3.5Å
178	P	92.6	Very high	96.2	Very high	104 Å²	104	43.8 Å²	43.8	68%	0.675	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-42.9	-175.1	22	-32.9	0	0	0	112.7
179	D	92.6	Very high	96.2	Very high	119 Å²	119	46.2 Å²	46.2	64%	0.636	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	18.7	-176.8	-43.1	-70.3	0	0	0	114.4	H177	H177-D179 VanDerWaalsContact C-N 3.34Å; H177-D179 IonicContact CE1-OD2 3.3Å; H177-D179 PolarHBondContact ND1-N 2.56Å; H177-D179 PolarHBondContact O-N 3.02Å
180	A	93.1	Very high	96.1	Very high	12 Å²	12	46.2 Å²	46.2	10%	0.099	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	108.9	-177.6	0	0	0	0	0	114.8	H177 S182 L183 R228	H177-A180 HydrophobicContact CB-CB 4.09Å; H177-A180 PolarHBondContact ND1-N 3.3Å; H177-A180 PolarHBondContact O-N 2.63Å; A180-S182 VanDerWaalsContact C-N 3.27Å; A180-S182 PolarHBondContact O-N 2.92Å; A180-L183 HydrophobicContact CB-CB 4.05Å; A180-L183 HydrophobicContact CB-CD1 3.77Å; A180-L183 HydrophobicContact CB-CG 3.91Å; A180-L183 PolarHBondContact O-N 3.13Å; A180-R228 HydrophobicContact CB-CB 4.39Å; A180-R228 HydrophobicContact CB-CG 4Å
181	D	92.1	Very high	95.9	Very high	145 Å²	145	47.5 Å²	47.5	78%	0.775	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	-25.9	-176.2	-58.7	-60.1	0	0	0	115.2	V203	D181-V203 WeakPolarHBondContact O-CG1 3.49Å
182	S	93.9	Very high	95.8	Very high	64 Å²	64	50.9 Å²	50.9	45%	0.448	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-3	-178.4	57.5	0	0	0	0	114.4	A180 G201 V203	A180-S182 VanDerWaalsContact C-N 3.27Å; A180-S182 PolarHBondContact O-N 2.92Å; S182-G201 CarbonylContact O-C 3.56Å; S182-V203 WeakPolarHBondContact O-CG2 3.43Å
183	L	96.3	Very high	95.6	Very high	18 Å²	18	55.8 Å²	55.8	9%	0.094	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	140	-175.7	-57.5	-179	0	0	0	111.9	H177 A180 V199 S200 V203 M227 R228	H177-L183 HydrophobicContact CB-CB 3.74Å; H177-L183 WeakPolarHBondContact CB-O 3.39Å; H177-L183 PolarHBondContact N-O 2.93Å; A180-L183 HydrophobicContact CB-CB 4.05Å; A180-L183 HydrophobicContact CB-CD1 3.77Å; A180-L183 HydrophobicContact CB-CG 3.91Å; A180-L183 PolarHBondContact O-N 3.13Å; L183-V199 HydrophobicContact CB-CG1 4.04Å; L183-V199 HydrophobicContact CD1-CG1 3.86Å; L183-V199 HydrophobicContact CD2-CG1 4.48Å; L183-V199 HydrophobicContact CG-CG1 4.35Å; L183-S200 CarbonylContact C-O 3.39Å; L183-S200 VanDerWaalsContact CA-O 3.31Å; L183-S200 WeakPolarHBondContact CA-O 3.39Å; L183-V203 VanDerWaalsContact C-CG2 3.46Å; L183-M227 HydrophobicContact CD1-CB 4.5Å; L183-M227 HydrophobicContact CD1-CE 4.22Å; L183-M227 HydrophobicContact CD2-CE 4.02Å; L183-R228 HydrophobicContact CD1-CG 4.09Å
184	Y	97.7	Very high	95.6	Very high	7 Å²	7	55.8 Å²	55.8	3%	0.027	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	156.9	160.5	-73.2	-52.7	0	0	0	110	R175 K176 E186 V199 S200 L202 V203 V206 L208 M211	R175-Y184 CarbonylContact O-C 3.57Å; R175-Y184 WeakPolarHBondContact O-CA 3.48Å; K176-Y184 HydrophobicContact CG-CD1 4.1Å; K176-Y184 HydrophobicContact CG-CE1 3.73Å; Y184-E186 WeakPolarHBondContact CB-OE1 3.37Å; Y184-V199 VanDerWaalsContact O-CA 3.29Å; Y184-V199 WeakPolarHBondContact O-CA 3.41Å; Y184-V199 WeakPolarHBondContact O-CG1 2.9Å; Y184-S200 PolarHBondContact N-O 2.94Å; Y184-S200 PolarHBondContact O-N 2.82Å; Y184-S200 VanDerWaalsContact O-N 3.15Å; Y184-L202 HydrophobicContact CD2-CB 4.24Å; Y184-V203 HydrophobicContact CD1-CG2 3.87Å; Y184-V203 HydrophobicContact CD2-CG2 3.81Å; Y184-V203 HydrophobicContact CE1-CG2 3.82Å; Y184-V203 VanDerWaalsContact CE2-CA 3.47Å; Y184-V203 HydrophobicContact CE2-CB 4.15Å; Y184-V203 HydrophobicContact CE2-CG2 3.78Å; Y184-V203 HydrophobicContact CG-CG2 3.84Å; Y184-V206 WeakPolarHBondContact CE2-O 3.29Å; Y184-V206 PolarHBondContact OH-O 2.84Å; Y184-L208 HydrophobicContact CD1-CD1 4.01Å; Y184-L208 HydrophobicContact CE1-CB 4.12Å; Y184-L208 HydrophobicContact CE1-CD1 3.67Å; Y184-L208 HydrophobicContact CE1-CG 4.4Å; Y184-L208 PolarHBondContact OH-N 2.77Å; Y184-M211 HydrophobicContact CD2-CE 4.23Å; Y184-M211 HydrophobicContact CD2-CG 4.26Å; Y184-M211 HydrophobicContact CE2-CG 4.14Å
185	V	97.6	Very high	95.5	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	118.9	166.4	-178.6	0	0	0	0	106.7	R175 H177 T197 V198 V199 V230	R175-V185 HydrophobicContact CG-CB 4.14Å; R175-V185 WeakPolarHBondContact CG-O 3.43Å; R175-V185 PolarHBondContact N-O 2.78Å; R175-V185 PolarHBondContact O-N 3.21Å; H177-V185 HydrophobicContact CB-CG2 3.92Å; V185-T197 HydrophobicContact CG1-CG2 3.77Å; V185-V198 WeakPolarHBondContact CA-O 3.46Å; V185-V199 HydrophobicContact CG2-CG2 4.44Å; V185-V230 HydrophobicContact CG1-CG1 4.13Å; V185-V230 HydrophobicContact CG2-CG1 4.44Å; V185-V230 HydrophobicContact CG2-CG2 4.32Å
186	E	98.1	Very high	95.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.3	179.3	-55.7	87	-170.9	0	0	111	I171 T173 A174 Y184 V188 T197 V198 S200 M211	I171-E186 HydrophobicContact CD1-CG 4.34Å; I171-E186 HydrophobicContact CG2-CB 4.09Å; I171-E186 HydrophobicContact CG2-CG 4.12Å; T173-E186 CarbonylContact O-C 3.57Å; T173-E186 VanDerWaalsContact O-CA 3.29Å; T173-E186 WeakPolarHBondContact O-CA 3.47Å; A174-E186 HydrophobicContact CB-CG 4.13Å; Y184-E186 WeakPolarHBondContact CB-OE1 3.37Å; E186-V188 HydrophobicContact CB-CG2 3.6Å; E186-T197 CarbonylContact O-C 3.57Å; E186-T197 WeakPolarHBondContact O-CA 3.25Å; E186-V198 HydrophobicContact CB-CB 4.41Å; E186-V198 PolarHBondContact N-O 2.82Å; E186-V198 PolarHBondContact O-N 3.32Å; E186-V198 VanDerWaalsContact OE2-C 3.3Å; E186-S200 VanDerWaalsContact OE1-CB 3.24Å; E186-S200 WeakPolarHBondContact OE1-CB 3.36Å; E186-S200 PolarHBondContact OE1-OG 3.37Å; E186-S200 PolarHBondContact OE2-N 2.89Å; E186-M211 HydrophobicContact CG-CE 4.07Å; E186-M211 VanDerWaalsContact OE1-CE 3.28Å; E186-M211 WeakPolarHBondContact OE1-CE 3.25Å
187	E	97.9	Very high	95.7	Very high	41 Å²	41	50.6 Å²	50.6	19%	0.192	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117	159.2	-49.1	-54	156	0	0	107.7	I172 T173 R175 P195 T197	I172-E187 PolarHBondContact N-O 2.81Å; T173-E187 PolarHBondContact N-O 2.78Å; T173-E187 PolarHBondContact O-N 3.14Å; R175-E187 IonicContact CZ-OE1 3.77Å; R175-E187 VanDerWaalsContact CZ-OE1 3.3Å; R175-E187 IonicContact NH1-OE1 2.83Å; R175-E187 PolarHBondContact NH1-OE1 2.67Å; R175-E187 IonicContact NH2-OE1 3.35Å; R175-E187 PolarHBondContact NH2-OE1 2.81Å; E187-P195 HydrophobicContact CB-CB 4.38Å; E187-T197 WeakPolarHBondContact OE2-CA 3.44Å; E187-T197 WeakPolarHBondContact OE2-CB 3.35Å; E187-T197 PolarHBondContact OE2-OG1 3.13Å
188	V	98.1	Very high	95.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.8	-169.4	-161.2	0	0	0	0	110.1	C170 I171 E186 P195 R196 V198 V216 L218	C170-V188 CarbonylContact O-C 3.51Å; C170-V188 WeakPolarHBondContact O-CA 3.15Å; C170-V188 WeakPolarHBondContact O-CG1 3.39Å; I171-V188 HydrophobicContact CG1-CG1 4.19Å; I171-V188 HydrophobicContact CG1-CG2 4.15Å; E186-V188 HydrophobicContact CB-CG2 3.6Å; V188-P195 WeakPolarHBondContact O-CA 3.46Å; V188-R196 PolarHBondContact N-O 3Å; V188-R196 PolarHBondContact O-N 2.91Å; V188-V198 HydrophobicContact CB-CG2 4.38Å; V188-V198 HydrophobicContact CG2-CB 4.15Å; V188-V198 HydrophobicContact CG2-CG2 3.75Å; V188-V216 HydrophobicContact CG1-CG2 4.21Å; V188-L218 HydrophobicContact CB-CD1 4.33Å; V188-L218 HydrophobicContact CG1-CD1 3.82Å; V188-L218 HydrophobicContact CG1-CD2 4.48Å
189	D	98.1	Very high	96	Very high	51 Å²	51	45.9 Å²	45.9	27%	0.273	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	134.9	167.6	-175.3	6.2	0	0	0	109	G169 C170 I172 G191 P256	G169-D189 CarbonylContact C-O 3.56Å; G169-D189 WeakPolarHBondContact CA-O 3.37Å; C170-D189 PolarHBondContact N-O 2.96Å; C170-D189 PolarHBondContact O-N 3.22Å; I172-D189 HydrophobicContact CD1-CB 4.05Å; I172-D189 HydrophobicContact CG1-CB 4.13Å; D189-G191 PolarHBondContact OD1-N 3.37Å; D189-P256 HydrophobicContact CB-CB 4.09Å; D189-P256 HydrophobicContact CB-CG 4.2Å; D189-P256 VanDerWaalsContact CG-CB 3.47Å; D189-P256 WeakPolarHBondContact OD2-CB 3.42Å; D189-P256 WeakPolarHBondContact OD2-CG 3.47Å
190	V	96.8	Very high	96.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.242	C	C	.	.			trans	-134.9	25.1	177.9	72.5	0	0	0	0	111.7	R167 E192 R196 L218 G257	R167-V190 HydrophobicContact CB-CG2 3.84Å; V190-E192 HydrophobicContact CG1-CB 4.09Å; V190-E192 HydrophobicContact CG1-CG 3.9Å; V190-E192 PolarHBondContact O-N 2.8Å; V190-R196 HydrophobicContact CG1-CG 4.09Å; V190-L218 HydrophobicContact CB-CD1 4.07Å; V190-L218 HydrophobicContact CG2-CD1 3.82Å; V190-G257 WeakPolarHBondContact O-CA 3.46Å; V190-G257 PolarHBondContact O-N 3.19Å
191	G	94.6	Very high	96.3	Very high	52 Å²	52	42.3 Å²	42.3	54%	0.536	26%	0.26	S	S	.	.	S	Bend	trans	70.5	20.5	-176.7	0	0	0	0	0	113.5	D189	D189-G191 PolarHBondContact OD1-N 3.37Å
192	E	94.7	Very high	96.3	Very high	70 Å²	70	35.9 Å²	35.9	33%	0.327	23%	0.225	S	C	.	.	S	Bend	trans	-101.2	166.6	175.4	-73.3	177.7	175	0	0	110.3	R167 V190 A194 R196	R167-E192 IonicContact CZ-OE1 2.81Å; R167-E192 IonicContact NH1-OE1 3.02Å; R167-E192 PolarHBondContact NH1-OE1 2.75Å; R167-E192 IonicContact NH2-OE1 2.67Å; V190-E192 HydrophobicContact CG1-CB 4.09Å; V190-E192 HydrophobicContact CG1-CG 3.9Å; V190-E192 PolarHBondContact O-N 2.8Å; E192-A194 PolarHBondContact O-N 3.39Å; E192-R196 VanDerWaalsContact CD-NH2 3.32Å; E192-R196 IonicContact OE1-CZ 3.13Å; E192-R196 IonicContact OE1-NE 3.86Å; E192-R196 IonicContact OE1-NH2 2.79Å; E192-R196 PolarHBondContact OE1-NH2 2.88Å; E192-R196 IonicContact OE2-CZ 2.7Å; E192-R196 VanDerWaalsContact OE2-CZ 3.3Å; E192-R196 IonicContact OE2-NE 3.83Å; E192-R196 PolarHBondContact OE2-NE 2.87Å; E192-R196 IonicContact OE2-NH2 3.31Å; E192-R196 PolarHBondContact OE2-NH2 3.42Å
193	I	92.9	Very high	96.3	Very high	178 Å²	178	33.9 Å²	33.9	91%	0.913	21%	0.211	S	C	*	.	S	Bend	trans	-61.1	-29.1	-175.3	-60.9	172	0	0	0	112.2
194	A	94.6	Very high	96.1	Very high	60 Å²	60	39.4 Å²	39.4	50%	0.496	24%	0.24	S	C	.	.	S	Bend	trans	-129.8	146.9	175.9	0	0	0	0	0	109.5	E192	E192-A194 PolarHBondContact O-N 3.39Å
195	P	96.7	Very high	95.9	Very high	62 Å²	62	43.1 Å²	43.1	40%	0.403	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-58.4	153.1	169	-21.3	33.7	0	0	0	111.2	I172 E187 V188	I172-P195 HydrophobicContact CD1-CB 3.86Å; I172-P195 HydrophobicContact CD1-CG 3.43Å; I172-P195 VanDerWaalsContact CD1-CG 3.43Å; E187-P195 HydrophobicContact CB-CB 4.38Å; V188-P195 WeakPolarHBondContact O-CA 3.46Å
196	R	97.8	Very high	95.7	Very high	38 Å²	38	43.4 Å²	43.4	14%	0.143	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	137.1	172.5	-70	-169.8	-178.4	-159.5	11.7	110.7	V188 V190 E192 C220 Q233	V188-R196 PolarHBondContact N-O 3Å; V188-R196 PolarHBondContact O-N 2.91Å; V190-R196 HydrophobicContact CG1-CG 4.09Å; E192-R196 VanDerWaalsContact CD-NH2 3.32Å; E192-R196 IonicContact OE1-CZ 3.13Å; E192-R196 IonicContact OE1-NE 3.86Å; E192-R196 IonicContact OE1-NH2 2.79Å; E192-R196 PolarHBondContact OE1-NH2 2.88Å; E192-R196 IonicContact OE2-CZ 2.7Å; E192-R196 VanDerWaalsContact OE2-CZ 3.3Å; E192-R196 IonicContact OE2-NE 3.83Å; E192-R196 PolarHBondContact OE2-NE 2.87Å; E192-R196 IonicContact OE2-NH2 3.31Å; E192-R196 PolarHBondContact OE2-NH2 3.42Å; R196-C220 PolarHBondContact NH1-O 2.7Å; R196-Q233 HydrophobicContact CB-CB 4.21Å; R196-Q233 HydrophobicContact CG-CB 4.4Å; R196-Q233 PolarHBondContact NH1-O 3.33Å
197	T	97.9	Very high	95.6	Very high	35 Å²	35	46.4 Å²	46.4	22%	0.215	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	126.4	168.1	-51.1	0	0	0	0	109.1	V185 E186 E187 V230 Q233	V185-T197 HydrophobicContact CG1-CG2 3.77Å; E186-T197 CarbonylContact O-C 3.57Å; E186-T197 WeakPolarHBondContact O-CA 3.25Å; E187-T197 WeakPolarHBondContact OE2-CA 3.44Å; E187-T197 WeakPolarHBondContact OE2-CB 3.35Å; E187-T197 PolarHBondContact OE2-OG1 3.13Å; T197-V230 HydrophobicContact CG2-CG1 3.78Å; T197-Q233 PolarHBondContact O-N 2.86Å
198	V	97.8	Very high	95.4	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	153	175.9	-171.6	0	0	0	0	109	V185 E186 V188 L218 A234 L236	V185-V198 WeakPolarHBondContact CA-O 3.46Å; E186-V198 HydrophobicContact CB-CB 4.41Å; E186-V198 PolarHBondContact N-O 2.82Å; E186-V198 PolarHBondContact O-N 3.32Å; E186-V198 VanDerWaalsContact OE2-C 3.3Å; V188-V198 HydrophobicContact CB-CG2 4.38Å; V188-V198 HydrophobicContact CG2-CB 4.15Å; V188-V198 HydrophobicContact CG2-CG2 3.75Å; V198-L218 HydrophobicContact CG2-CD2 4.49Å; V198-A234 HydrophobicContact CG2-CB 3.93Å; V198-L236 HydrophobicContact CB-CD1 4.2Å; V198-L236 HydrophobicContact CG1-CD1 3.47Å; V198-L236 VanDerWaalsContact CG1-CD1 3.47Å
199	V	97.4	Very high	95.2	Very high	10 Å²	10	55.7 Å²	55.7	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	111.6	174.7	-175.8	0	0	0	0	108.3	L183 Y184 V185 M227 V230 S232	L183-V199 HydrophobicContact CB-CG1 4.04Å; L183-V199 HydrophobicContact CD1-CG1 3.86Å; L183-V199 HydrophobicContact CD2-CG1 4.48Å; L183-V199 HydrophobicContact CG-CG1 4.35Å; Y184-V199 VanDerWaalsContact O-CA 3.29Å; Y184-V199 WeakPolarHBondContact O-CA 3.41Å; Y184-V199 WeakPolarHBondContact O-CG1 2.9Å; V185-V199 HydrophobicContact CG2-CG2 4.44Å; V199-M227 HydrophobicContact CB-CB 4.24Å; V199-M227 HydrophobicContact CB-SD 3.95Å; V199-M227 HydrophobicContact CG1-CB 3.91Å; V199-M227 HydrophobicContact CG1-CE 4.08Å; V199-M227 HydrophobicContact CG1-SD 4.07Å; V199-M227 HydrophobicContact CG2-CB 4.48Å; V199-V230 HydrophobicContact CG2-CB 3.97Å; V199-V230 HydrophobicContact CG2-CG1 3.58Å; V199-S232 PolarHBondContact N-OG 3.45Å; V199-S232 VanDerWaalsContact N-OG 3.08Å
200	S	95.4	Very high	95.1	Very high	10 Å²	10	58.3 Å²	58.3	7%	0.07	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146.9	-178	86.5	0	0	0	0	113.1	L183 Y184 E186 L202	L183-S200 CarbonylContact C-O 3.39Å; L183-S200 VanDerWaalsContact CA-O 3.31Å; L183-S200 WeakPolarHBondContact CA-O 3.39Å; Y184-S200 PolarHBondContact N-O 2.94Å; Y184-S200 PolarHBondContact O-N 2.82Å; Y184-S200 VanDerWaalsContact O-N 3.15Å; E186-S200 VanDerWaalsContact OE1-CB 3.24Å; E186-S200 WeakPolarHBondContact OE1-CB 3.36Å; E186-S200 PolarHBondContact OE1-OG 3.37Å; E186-S200 PolarHBondContact OE2-N 2.89Å; S200-L202 VanDerWaalsContact C-N 3.26Å; S200-L202 PolarHBondContact O-N 3.3Å; S200-L202 WeakPolarHBondContact OG-CD1 3.4Å
201	G	95.3	Very high	95	Very high	46 Å²	46	58.3 Å²	58.3	47%	0.474	33%	0.334	S	S	.	.	S	Bend	trans	-87.5	37	178.4	0	0	0	0	0	114.3	S182	S182-G201 CarbonylContact O-C 3.56Å
202	L	93.8	Very high	95	Very high	9 Å²	9	58.9 Å²	58.9	5%	0.047	32%	0.323	C	S	.	.			trans	-101.2	2	-162.8	-63.4	175.7	0	0	0	115.4	Y184 S200 N204 H205 V206 M211 L236 V245 I247	Y184-L202 HydrophobicContact CD2-CB 4.24Å; S200-L202 VanDerWaalsContact C-N 3.26Å; S200-L202 PolarHBondContact O-N 3.3Å; S200-L202 WeakPolarHBondContact OG-CD1 3.4Å; L202-N204 PolarHBondContact O-N 3.15Å; L202-N204 VanDerWaalsContact O-N 3.11Å; L202-H205 PolarHBondContact O-N 2.68Å; L202-V206 PolarHBondContact O-N 2.9Å; L202-M211 HydrophobicContact CD1-CE 4.02Å; L202-M211 HydrophobicContact CD1-SD 4.4Å; L202-L236 HydrophobicContact CD1-CD2 3.92Å; L202-V245 HydrophobicContact CD2-CB 4.49Å; L202-V245 HydrophobicContact CD2-CG1 3.75Å; L202-I247 HydrophobicContact CD1-CD1 3.72Å; L202-I247 HydrophobicContact CD1-CG1 3.64Å
203	V	93.3	Very high	95	Very high	23 Å²	23	61.4 Å²	61.4	14%	0.139	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.1	-174.2	-175.6	0	0	0	0	113.6	D181 S182 L183 Y184	D181-V203 WeakPolarHBondContact O-CG1 3.49Å; S182-V203 WeakPolarHBondContact O-CG2 3.43Å; L183-V203 VanDerWaalsContact C-CG2 3.46Å; Y184-V203 HydrophobicContact CD1-CG2 3.87Å; Y184-V203 HydrophobicContact CD2-CG2 3.81Å; Y184-V203 HydrophobicContact CE1-CG2 3.82Å; Y184-V203 VanDerWaalsContact CE2-CA 3.47Å; Y184-V203 HydrophobicContact CE2-CB 4.15Å; Y184-V203 HydrophobicContact CE2-CG2 3.78Å; Y184-V203 HydrophobicContact CG-CG2 3.84Å
204	N	92.5	Very high	95.2	Very high	133 Å²	133	54.7 Å²	54.7	71%	0.711	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.7	179.4	-63.3	-23.7	0	0	0	113.8	L202	L202-N204 PolarHBondContact O-N 3.15Å; L202-N204 VanDerWaalsContact O-N 3.11Å
205	H	92.8	Very high	95.3	Very high	86 Å²	86	54.6 Å²	54.6	40%	0.398	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-35.7	-169.6	-59.6	-62.6	0	0	0	113.3	L202 V245	L202-H205 PolarHBondContact O-N 2.68Å; H205-V245 HydrophobicContact CB-CB 4.25Å
206	V	93.4	Very high	95.4	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.042	27%	0.273	C	S	.	.	S	Bend	trans	-130.5	122.2	-178.1	-174.7	0	0	0	0	108.7	Y184 L202 Q210 M211 I247	Y184-V206 WeakPolarHBondContact CE2-O 3.29Å; Y184-V206 PolarHBondContact OH-O 2.84Å; L202-V206 PolarHBondContact O-N 2.9Å; V206-Q210 HydrophobicContact CG1-CB 3.79Å; V206-M211 HydrophobicContact CB-SD 4.02Å; V206-M211 HydrophobicContact CG1-CG 4.03Å; V206-M211 HydrophobicContact CG1-SD 3.66Å; V206-I247 HydrophobicContact CG1-CD1 4.34Å; V206-I247 HydrophobicContact CG2-CD1 4Å; V206-I247 HydrophobicContact CG2-CG1 4.23Å
207	P	95.1	Very high	95.4	Very high	62 Å²	62	49.8 Å²	49.8	40%	0.403	27%	0.266	S	S	.	.			trans	-69.1	149.6	178	29.5	-34.7	0	0	0	110.9	E209 Q210 M211	P207-E209 PolarHBondContact O-N 3.48Å; P207-Q210 HydrophobicContact CG-CB 4.12Å; P207-Q210 HydrophobicContact CG-CG 3.8Å; P207-Q210 PolarHBondContact O-N 3.19Å; P207-M211 PolarHBondContact O-N 2.81Å
208	L	93.9	Very high	95.4	Very high	62 Å²	62	48.1 Å²	48.1	33%	0.325	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-53.9	-33.7	-173.9	-178.4	60.4	0	0	0	113.9	A174 Y184 Q210 M211 Q212	A174-L208 HydrophobicContact CB-CD1 3.8Å; A174-L208 WeakPolarHBondContact O-CD1 3.25Å; Y184-L208 HydrophobicContact CD1-CD1 4.01Å; Y184-L208 HydrophobicContact CE1-CB 4.12Å; Y184-L208 HydrophobicContact CE1-CD1 3.67Å; Y184-L208 HydrophobicContact CE1-CG 4.4Å; Y184-L208 PolarHBondContact OH-N 2.77Å; L208-Q210 VanDerWaalsContact C-N 3.34Å; L208-M211 WeakPolarHBondContact O-CB 3.36Å; L208-M211 PolarHBondContact O-N 2.99Å; L208-Q212 PolarHBondContact O-NE2 2.84Å
209	E	95.3	Very high	95.4	Very high	174 Å²	174	48.1 Å²	48.1	81%	0.813	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-64.1	-37.7	177.3	-64.1	173.5	-176.5	0	0	112.1	P207 M211 Q212	P207-E209 PolarHBondContact O-N 3.48Å; E209-M211 PolarHBondContact O-N 2.93Å; E209-Q212 PolarHBondContact O-N 2.95Å
210	Q	94.3	Very high	95.4	Very high	106 Å²	106	47.9 Å²	47.9	50%	0.495	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-79.3	-1.8	176.3	-66.9	179.6	23	0	0	113.5	V206 P207 L208 R214	V206-Q210 HydrophobicContact CG1-CB 3.79Å; P207-Q210 HydrophobicContact CG-CB 4.12Å; P207-Q210 HydrophobicContact CG-CG 3.8Å; P207-Q210 PolarHBondContact O-N 3.19Å; L208-Q210 VanDerWaalsContact C-N 3.34Å; Q210-R214 WeakPolarHBondContact O-CD 3.38Å; Q210-R214 PolarHBondContact O-NH1 2.86Å
211	M	95.5	Very high	95.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-91.1	-27.4	172	-64.1	-66.6	-75.7	0	0	112	I171 A174 Y184 E186 L202 V206 P207 L208 E209 L236 I247	I171-M211 VanDerWaalsContact CB-O 3.28Å; I171-M211 WeakPolarHBondContact CB-O 3.23Å; I171-M211 HydrophobicContact CD1-CE 3.94Å; I171-M211 WeakPolarHBondContact CG2-O 3.33Å; A174-M211 HydrophobicContact CB-CB 3.59Å; Y184-M211 HydrophobicContact CD2-CE 4.23Å; Y184-M211 HydrophobicContact CD2-CG 4.26Å; Y184-M211 HydrophobicContact CE2-CG 4.14Å; E186-M211 HydrophobicContact CG-CE 4.07Å; E186-M211 VanDerWaalsContact OE1-CE 3.28Å; E186-M211 WeakPolarHBondContact OE1-CE 3.25Å; L202-M211 HydrophobicContact CD1-CE 4.02Å; L202-M211 HydrophobicContact CD1-SD 4.4Å; V206-M211 HydrophobicContact CB-SD 4.02Å; V206-M211 HydrophobicContact CG1-CG 4.03Å; V206-M211 HydrophobicContact CG1-SD 3.66Å; P207-M211 PolarHBondContact O-N 2.81Å; L208-M211 WeakPolarHBondContact O-CB 3.36Å; L208-M211 PolarHBondContact O-N 2.99Å; E209-M211 PolarHBondContact O-N 2.93Å; M211-L236 HydrophobicContact CE-CD2 4.23Å; M211-I247 HydrophobicContact CE-CD1 4.32Å; M211-I247 HydrophobicContact SD-CD1 3.59Å; M211-I247 VanDerWaalsContact SD-CD1 3.59Å
212	Q	94.4	Very high	95.4	Very high	65 Å²	65	47.6 Å²	47.6	30%	0.304	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	135.8	-176.7	-49.2	-57.8	-25.8	0	0	111.4	A174 L208 E209 R214	A174-Q212 PolarHBondContact O-NE2 2.7Å; L208-Q212 PolarHBondContact O-NE2 2.84Å; E209-Q212 PolarHBondContact O-N 2.95Å; Q212-R214 PolarHBondContact O-N 3.43Å
213	N	95.4	Very high	95.5	Very high	123 Å²	123	52.1 Å²	52.1	66%	0.658	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	24.8	-179.6	-57.8	-53.6	0	0	0	114.2	I171	I171-N213 WeakPolarHBondContact O-CA 3.44Å; I171-N213 PolarHBondContact O-N 3.1Å
214	R	96.6	Very high	95.6	Very high	36 Å²	36	53.9 Å²	53.9	14%	0.136	27%	0.272	C	S	.	.			trans	-84.8	129.6	-178.6	-179.2	162.9	-179.9	160.4	2.7	110.9	I171 Q210 Q212 V216	I171-R214 HydrophobicContact CD1-CB 4.35Å; I171-R214 PolarHBondContact N-O 3.35Å; Q210-R214 WeakPolarHBondContact O-CD 3.38Å; Q210-R214 PolarHBondContact O-NH1 2.86Å; Q212-R214 PolarHBondContact O-N 3.43Å; R214-V216 HydrophobicContact CG-CG1 3.99Å
215	M	97.8	Very high	95.7	Very high	58 Å²	58	50.1 Å²	50.1	29%	0.286	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	131.7	168.8	-60.3	-59.3	-61	0	0	110	I168 G169 C170 P250 S254	I168-M215 HydrophobicContact CG2-CE 3.36Å; G169-M215 WeakPolarHBondContact O-CA 3.42Å; C170-M215 HydrophobicContact CB-CE 4.46Å; C170-M215 HydrophobicContact CB-SD 3.64Å; M215-P250 HydrophobicContact CB-CG 3.61Å; M215-P250 WeakPolarHBondContact O-CD 3.36Å; M215-S254 WeakPolarHBondContact CE-O 3.45Å
216	V	97.9	Very high	95.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	162.9	-174.3	-61.1	0	0	0	0	111.3	I168 G169 I171 V188 R214 L218 L236 I247	I168-V216 WeakPolarHBondContact CA-O 3.48Å; G169-V216 PolarHBondContact N-O 2.9Å; G169-V216 PolarHBondContact O-N 3.43Å; I171-V216 HydrophobicContact CD1-CG1 3.8Å; I171-V216 HydrophobicContact CG1-CG1 4.21Å; I171-V216 HydrophobicContact CG1-CG2 4.24Å; V188-V216 HydrophobicContact CG1-CG2 4.21Å; R214-V216 HydrophobicContact CG-CG1 3.99Å; V216-L218 HydrophobicContact CG2-CD2 4.1Å; V216-L218 HydrophobicContact CG2-CG 4.19Å; V216-L236 HydrophobicContact CG1-CD2 4.33Å; V216-L236 HydrophobicContact CG2-CG 4.43Å; V216-I247 HydrophobicContact CB-CG2 4.18Å; V216-I247 HydrophobicContact CG1-CG2 3.66Å
217	I	98.2	Very high	95.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	135.5	164.6	-56.4	105.8	0	0	0	109.1	L166 R167 I168 M237 L248 P250 I260 C310	L166-I217 HydrophobicContact CD2-CG2 4.36Å; R167-I217 WeakPolarHBondContact O-CA 3.48Å; I168-I217 HydrophobicContact CD1-CG1 3.64Å; I217-M237 HydrophobicContact CB-CB 4.17Å; I217-M237 HydrophobicContact CB-CG 4.18Å; I217-M237 HydrophobicContact CG2-CB 4.3Å; I217-M237 HydrophobicContact CG2-CG 3.81Å; I217-M237 PolarHBondContact O-N 3.11Å; I217-L248 HydrophobicContact CD1-CB 3.55Å; I217-L248 WeakPolarHBondContact CD1-O 3.14Å; I217-P250 HydrophobicContact CD1-CB 4.44Å; I217-I260 HydrophobicContact CG1-CD1 4.24Å; I217-I260 HydrophobicContact CG2-CD1 4.42Å; I217-I260 HydrophobicContact CG2-CG1 3.85Å; I217-C310 HydrophobicContact CD1-CB 3.78Å
218	L	98	Very high	95.7	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	143.1	-179.6	-64.7	174.4	0	0	0	111.1	L166 R167 V188 V190 V198 V216 A234 M235 L236	L166-L218 WeakPolarHBondContact CA-O 3.37Å; R167-L218 PolarHBondContact N-O 3.35Å; R167-L218 PolarHBondContact O-N 3.04Å; V188-L218 HydrophobicContact CB-CD1 4.33Å; V188-L218 HydrophobicContact CG1-CD1 3.82Å; V188-L218 HydrophobicContact CG1-CD2 4.48Å; V190-L218 HydrophobicContact CB-CD1 4.07Å; V190-L218 HydrophobicContact CG2-CD1 3.82Å; V198-L218 HydrophobicContact CG2-CD2 4.49Å; V216-L218 HydrophobicContact CG2-CD2 4.1Å; V216-L218 HydrophobicContact CG2-CG 4.19Å; L218-A234 HydrophobicContact CB-CB 4.39Å; L218-A234 HydrophobicContact CD1-CB 4.5Å; L218-A234 HydrophobicContact CD2-CB 4.31Å; L218-M235 CarbonylContact C-O 3.55Å; L218-M235 VanDerWaalsContact CA-O 3.3Å; L218-M235 WeakPolarHBondContact CA-O 3.14Å; L218-L236 HydrophobicContact CD2-CD1 3.66Å; L218-L236 HydrophobicContact CD2-CG 4.11Å
219	L	97.7	Very high	95.7	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	111.1	160.7	-178.9	55.6	0	0	0	109.9	L164 L166 N221 L222 A234 M235 M237 W280	L164-L219 HydrophobicContact CB-CD1 3.76Å; L164-L219 HydrophobicContact CD2-CD1 4.21Å; L164-L219 HydrophobicContact CD2-CD2 4.48Å; L164-L219 HydrophobicContact CG-CD1 4.39Å; L166-L219 HydrophobicContact CD2-CB 4.11Å; L166-L219 HydrophobicContact CD2-CD1 4.04Å; L166-L219 HydrophobicContact CG-CD1 4.39Å; L219-N221 VanDerWaalsContact CD1-OD1 3.29Å; L219-N221 WeakPolarHBondContact CD1-OD1 3.25Å; L219-L222 HydrophobicContact CD2-CD1 3.7Å; L219-L222 HydrophobicContact CD2-CD2 4.25Å; L219-L222 HydrophobicContact CD2-CG 3.68Å; L219-L222 HydrophobicContact CG-CD1 4.07Å; L219-L222 HydrophobicContact CG-CG 3.92Å; L219-A234 WeakPolarHBondContact O-CA 3.45Å; L219-A234 WeakPolarHBondContact O-CB 3.26Å; L219-M235 HydrophobicContact CD2-CE 4.17Å; L219-M235 PolarHBondContact N-O 2.83Å; L219-M235 PolarHBondContact O-N 3.16Å; L219-M237 HydrophobicContact CB-SD 3.69Å; L219-W280 HydrophobicContact CD2-CD2 4.24Å; L219-W280 HydrophobicContact CD2-CE3 3.76Å; L219-W280 HydrophobicContact CD2-CZ3 4.06Å
220	C	97.1	Very high	95.7	Very high	6 Å²	6	56.2 Å²	56.2	4%	0.041	29%	0.29	C	S	.	.			trans	-101.6	-9.7	-165	-61.8	0	0	0	0	115.2	D165 R196	D165-C220 HydrophobicContact CB-CB 4.33Å; D165-C220 WeakPolarHBondContact O-CB 3.34Å; D165-C220 PolarHBondContact O-N 2.92Å; R196-C220 PolarHBondContact NH1-O 2.7Å
221	N	96.5	Very high	95.8	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	28%	0.284	C	S	.	.	S	Bend	trans	-110.7	13.1	-179.5	68.7	-18.8	0	0	0	114.5	R163 D165 L219 D270 E272 L273	R163-N221 PolarHBondContact O-ND2 3.31Å; D165-N221 HydrophobicContact CB-CB 3.59Å; D165-N221 VanDerWaalsContact CB-CG 3.45Å; D165-N221 VanDerWaalsContact N-CG 3.27Å; D165-N221 PolarHBondContact N-ND2 2.56Å; D165-N221 PolarHBondContact N-OD1 2.67Å; L219-N221 VanDerWaalsContact CD1-OD1 3.29Å; L219-N221 WeakPolarHBondContact CD1-OD1 3.25Å; N221-D270 VanDerWaalsContact CB-O 3.25Å; N221-D270 WeakPolarHBondContact CB-O 3.45Å; N221-D270 PolarHBondContact ND2-O 2.79Å; N221-E272 CarbonylContact O-C 3.4Å; N221-E272 WeakPolarHBondContact O-CA 3.35Å; N221-L273 PolarHBondContact O-N 3.16Å; N221-L273 WeakPolarHBondContact OD1-CD1 3.42Å
222	L	94.9	Very high	95.8	Very high	46 Å²	46	55 Å²	55	24%	0.241	29%	0.287	C	S	.	.	S	Bend	trans	-63.3	149.2	163.8	-78.4	171.8	0	0	0	110.7	L219 P224 M235 L273	L219-L222 HydrophobicContact CD2-CD1 3.7Å; L219-L222 HydrophobicContact CD2-CD2 4.25Å; L219-L222 HydrophobicContact CD2-CG 3.68Å; L219-L222 HydrophobicContact CG-CD1 4.07Å; L219-L222 HydrophobicContact CG-CG 3.92Å; L222-P224 WeakPolarHBondContact O-CD 3.39Å; L222-M235 HydrophobicContact CD1-CB 3.91Å; L222-M235 HydrophobicContact CD1-CE 4.03Å; L222-M235 HydrophobicContact CD1-SD 3.96Å; L222-L273 HydrophobicContact CD2-CD1 3.97Å; L222-L273 HydrophobicContact CG-CD1 4.37Å
223	K	95	Very high	96	Very high	103 Å²	103	55 Å²	55	45%	0.448	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-63.2	124	169.9	-176.7	167.1	-153.3	65.3	0	109.7	A225 E272 P275	K223-A225 PolarHBondContact O-N 3.18Å; K223-E272 HydrophobicContact CB-CG 4.16Å; K223-E272 IonicContact NZ-OE1 2.7Å; K223-E272 PolarHBondContact NZ-OE1 3.38Å; K223-E272 IonicContact NZ-OE2 3.84Å; K223-E272 PolarHBondContact NZ-OE2 2.99Å; K223-P275 HydrophobicContact CB-CG 4.1Å; K223-P275 HydrophobicContact CD-CG 4.02Å
224	P	95.9	Very high	96	Very high	60 Å²	60	49.6 Å²	49.6	39%	0.39	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-56.4	134.3	179.7	-28.5	36.6	0	0	0	112.5	L222 L231 S232	L222-P224 WeakPolarHBondContact O-CD 3.39Å; P224-L231 HydrophobicContact CB-CD1 3.89Å; P224-L231 HydrophobicContact CB-CD2 4.27Å; P224-L231 HydrophobicContact CB-CG 4.08Å; P224-S232 VanDerWaalsContact CA-O 3.25Å; P224-S232 WeakPolarHBondContact CA-O 3.17Å; P224-S232 WeakPolarHBondContact CB-O 2.96Å
225	A	94.9	Very high	96	Very high	55 Å²	55	50.2 Å²	50.2	46%	0.455	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.9	-172	0	0	0	0	0	111	K223 S232	K223-A225 PolarHBondContact O-N 3.18Å; A225-S232 PolarHBondContact N-O 3.19Å; A225-S232 VanDerWaalsContact N-O 3.09Å; A225-S232 PolarHBondContact O-N 3.38Å
226	K	94.9	Very high	96	Very high	164 Å²	164	48 Å²	48	71%	0.713	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.7	175.6	-70.7	-168.2	177.2	-169.7	0	110.5	V230 L231	K226-V230 CarbonylContact C-O 3.45Å; K226-V230 VanDerWaalsContact CA-O 3.29Å; K226-V230 WeakPolarHBondContact CA-O 3.4Å; K226-L231 HydrophobicContact CG-CB 4.5Å; K226-L231 HydrophobicContact CG-CD1 3.8Å
227	M	92.9	Very high	96	Very high	70 Å²	70	48 Å²	48	35%	0.345	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	112.3	173.3	-66.1	179.6	68.5	0	0	107.4	H177 L183 V199 G229 V230	H177-M227 PolarHBondContact NE2-O 3.27Å; L183-M227 HydrophobicContact CD1-CB 4.5Å; L183-M227 HydrophobicContact CD1-CE 4.22Å; L183-M227 HydrophobicContact CD2-CE 4.02Å; V199-M227 HydrophobicContact CB-CB 4.24Å; V199-M227 HydrophobicContact CB-SD 3.95Å; V199-M227 HydrophobicContact CG1-CB 3.91Å; V199-M227 HydrophobicContact CG1-CE 4.08Å; V199-M227 HydrophobicContact CG1-SD 4.07Å; V199-M227 HydrophobicContact CG2-CB 4.48Å; M227-G229 PolarHBondContact O-N 2.82Å; M227-V230 PolarHBondContact N-O 3.4Å; M227-V230 PolarHBondContact O-N 2.88Å; M227-V230 VanDerWaalsContact O-N 3.08Å
228	R	92.5	Very high	95.9	Very high	188 Å²	188	48.4 Å²	48.4	71%	0.709	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	27.3	177.6	-62.1	-73.8	-178	-154.4	0.2	115.3	H177 A180 L183	H177-R228 VanDerWaalsContact CE1-CB 3.46Å; H177-R228 WeakPolarHBondContact CE1-CB 3.4Å; H177-R228 PolarHBondContact CE1-O 3.05Å; A180-R228 HydrophobicContact CB-CB 4.39Å; A180-R228 HydrophobicContact CB-CG 4Å; L183-R228 HydrophobicContact CD1-CG 4.09Å
229	G	93.2	Very high	95.9	Very high	61 Å²	61	48.4 Å²	48.4	63%	0.629	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.8	-35.3	177.8	0	0	0	0	0	113.4	M227	M227-G229 PolarHBondContact O-N 2.82Å
230	V	95.3	Very high	95.7	Very high	36 Å²	36	49.2 Å²	49.2	22%	0.218	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	140.4	177.6	-179.5	0	0	0	0	110.4	H177 V185 T197 V199 K226 M227	H177-V230 WeakPolarHBondContact NE2-CG2 3.5Å; V185-V230 HydrophobicContact CG1-CG1 4.13Å; V185-V230 HydrophobicContact CG2-CG1 4.44Å; V185-V230 HydrophobicContact CG2-CG2 4.32Å; T197-V230 HydrophobicContact CG2-CG1 3.78Å; V199-V230 HydrophobicContact CG2-CB 3.97Å; V199-V230 HydrophobicContact CG2-CG1 3.58Å; K226-V230 CarbonylContact C-O 3.45Å; K226-V230 VanDerWaalsContact CA-O 3.29Å; K226-V230 WeakPolarHBondContact CA-O 3.4Å; M227-V230 PolarHBondContact N-O 3.4Å; M227-V230 PolarHBondContact O-N 2.88Å; M227-V230 VanDerWaalsContact O-N 3.08Å
231	L	96.4	Very high	95.5	Very high	71 Å²	71	50.7 Å²	50.7	37%	0.372	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	110.2	177.5	-176.3	72.7	0	0	0	109.9	P224 K226	P224-L231 HydrophobicContact CB-CD1 3.89Å; P224-L231 HydrophobicContact CB-CD2 4.27Å; P224-L231 HydrophobicContact CB-CG 4.08Å; K226-L231 HydrophobicContact CG-CB 4.5Å; K226-L231 HydrophobicContact CG-CD1 3.8Å
232	S	97.4	Very high	95.1	Very high	10 Å²	10	56.7 Å²	56.7	7%	0.07	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	128	171	-163.4	0	0	0	0	110.3	V199 P224 A225 A234	V199-S232 PolarHBondContact N-OG 3.45Å; V199-S232 VanDerWaalsContact N-OG 3.08Å; P224-S232 VanDerWaalsContact CA-O 3.25Å; P224-S232 WeakPolarHBondContact CA-O 3.17Å; P224-S232 WeakPolarHBondContact CB-O 2.96Å; A225-S232 PolarHBondContact N-O 3.19Å; A225-S232 VanDerWaalsContact N-O 3.09Å; A225-S232 PolarHBondContact O-N 3.38Å; S232-A234 PolarHBondContact OG-O 3.14Å
233	Q	97.1	Very high	94.8	Very high	65 Å²	65	61.9 Å²	61.9	30%	0.304	34%	0.335	S	S	.	.			trans	-107.8	-1.7	-175.3	-58.8	177.5	-56.1	0	0	113.8	R196 T197	R196-Q233 HydrophobicContact CB-CB 4.21Å; R196-Q233 HydrophobicContact CG-CB 4.4Å; R196-Q233 PolarHBondContact NH1-O 3.33Å; T197-Q233 PolarHBondContact O-N 2.86Å
234	A	96.8	Very high	94.6	Very high	8 Å²	8	61 Å²	61	7%	0.066	33%	0.331	C	S	.	.	S	Bend	trans	-155.1	-177.9	172.7	0	0	0	0	0	109.3	V198 L218 L219 S232	V198-A234 HydrophobicContact CG2-CB 3.93Å; L218-A234 HydrophobicContact CB-CB 4.39Å; L218-A234 HydrophobicContact CD1-CB 4.5Å; L218-A234 HydrophobicContact CD2-CB 4.31Å; L219-A234 WeakPolarHBondContact O-CA 3.45Å; L219-A234 WeakPolarHBondContact O-CB 3.26Å; S232-A234 PolarHBondContact OG-O 3.14Å
235	M	96.6	Very high	94.6	Very high	50 Å²	50	59.5 Å²	59.5	25%	0.246	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.8	175.3	-171.3	175.1	75.1	0	0	109.4	L218 L219 L222 M237 W280 K321	L218-M235 CarbonylContact C-O 3.55Å; L218-M235 VanDerWaalsContact CA-O 3.3Å; L218-M235 WeakPolarHBondContact CA-O 3.14Å; L219-M235 HydrophobicContact CD2-CE 4.17Å; L219-M235 PolarHBondContact N-O 2.83Å; L219-M235 PolarHBondContact O-N 3.16Å; L222-M235 HydrophobicContact CD1-CB 3.91Å; L222-M235 HydrophobicContact CD1-CE 4.03Å; L222-M235 HydrophobicContact CD1-SD 3.96Å; M235-M237 HydrophobicContact CE-SD 4.29Å; M235-W280 HydrophobicContact CE-CH2 4.12Å; M235-W280 HydrophobicContact CE-CZ2 3.66Å; M235-K321 WeakPolarHBondContact CE-OXT 3.39Å
236	L	96.8	Very high	94.6	Very high	10 Å²	10	57.2 Å²	57.2	5%	0.052	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	127.6	174.4	-87.4	67.9	0	0	0	109.7	I171 V198 L202 M211 V216 L218 I247	I171-L236 HydrophobicContact CD1-CD2 4.18Å; V198-L236 HydrophobicContact CB-CD1 4.2Å; V198-L236 HydrophobicContact CG1-CD1 3.47Å; V198-L236 VanDerWaalsContact CG1-CD1 3.47Å; L202-L236 HydrophobicContact CD1-CD2 3.92Å; M211-L236 HydrophobicContact CE-CD2 4.23Å; V216-L236 HydrophobicContact CG1-CD2 4.33Å; V216-L236 HydrophobicContact CG2-CG 4.43Å; L218-L236 HydrophobicContact CD2-CD1 3.66Å; L218-L236 HydrophobicContact CD2-CG 4.11Å; L236-I247 HydrophobicContact CD2-CD1 4.37Å
237	M	97.7	Very high	94.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.266	C	S	.	.			trans	-80	121.1	177.3	-54	-57.8	-57.9	0	0	110.5	L166 I217 L219 M235 L248 W280 I320	L166-M237 HydrophobicContact CD2-CE 4.19Å; L166-M237 HydrophobicContact CD2-CG 3.89Å; L166-M237 HydrophobicContact CD2-SD 3.81Å; I217-M237 HydrophobicContact CB-CB 4.17Å; I217-M237 HydrophobicContact CB-CG 4.18Å; I217-M237 HydrophobicContact CG2-CB 4.3Å; I217-M237 HydrophobicContact CG2-CG 3.81Å; I217-M237 PolarHBondContact O-N 3.11Å; L219-M237 HydrophobicContact CB-SD 3.69Å; M235-M237 HydrophobicContact CE-SD 4.29Å; M237-L248 HydrophobicContact CB-CD1 3.98Å; M237-L248 WeakPolarHBondContact O-CG 3.28Å; M237-L248 PolarHBondContact O-N 3.13Å; M237-L248 VanDerWaalsContact O-N 3.16Å; M237-W280 HydrophobicContact CE-CH2 3.61Å; M237-W280 HydrophobicContact CE-CZ3 3.96Å; M237-I320 HydrophobicContact CE-CG2 3.74Å
238	C	97.1	Very high	94.9	Very high	10 Å²	10	46 Å²	46	7%	0.068	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.9	-176.7	-57.2	0	0	0	0	111.5	V245 E246 I320 K321	C238-V245 HydrophobicContact CB-CG1 3.63Å; C238-E246 CarbonylContact C-O 3.49Å; C238-E246 VanDerWaalsContact CA-O 3.22Å; C238-E246 WeakPolarHBondContact CA-O 3.37Å; C238-E246 WeakPolarHBondContact CB-O 3.47Å; C238-I320 CarbonylContact O-C 3.51Å; C238-I320 VanDerWaalsContact O-CA 3.28Å; C238-I320 WeakPolarHBondContact O-CA 3.38Å; C238-K321 PolarHBondContact N-O 3.01Å; C238-K321 PolarHBondContact O-N 2.95Å
239	A	96.9	Very high	95.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	134.8	159.9	0	0	0	0	0	108.6	V245 E246 L248 T289 A312 M315	A239-V245 WeakPolarHBondContact O-CA 3.39Å; A239-E246 PolarHBondContact N-O 3.05Å; A239-E246 PolarHBondContact O-N 2.9Å; A239-L248 HydrophobicContact CB-CD2 4.09Å; A239-T289 HydrophobicContact CB-CG2 4.12Å; A239-A312 HydrophobicContact CB-CB 3.86Å; A239-M315 HydrophobicContact CB-CB 3.96Å; A239-M315 HydrophobicContact CB-SD 4.26Å
240	S	94.5	Very high	95.3	Very high	16 Å²	16	36.6 Å²	36.6	11%	0.112	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.5	-173.6	71.8	0	0	0	0	112.9	G319 K321	S240-G319 PolarHBondContact N-O 3.13Å; S240-G319 PolarHBondContact OG-O 3.33Å; S240-K321 VanDerWaalsContact OG-CD 3.31Å; S240-K321 WeakPolarHBondContact OG-CD 3.46Å; S240-K321 WeakPolarHBondContact OG-CG 3.24Å
241	S	92.3	Very high	95.4	Very high	37 Å²	37	35.8 Å²	35.8	26%	0.259	20%	0.2	S	C	.	.			trans	-130.3	174.6	169.8	81.3	0	0	0	0	109	E243 K244	S241-E243 PolarHBondContact O-N 3.17Å; S241-E243 PolarHBondContact OG-N 3.45Å; S241-E243 PolarHBondContact OG-OE2 3.28Å; S241-E243 VanDerWaalsContact OG-OE2 3.06Å; S241-K244 PolarHBondContact N-O 3.29Å; S241-K244 PolarHBondContact OG-N 3.17Å; S241-K244 PolarHBondContact OG-O 3.04Å
242	P	88.6	Confident	95.3	Very high	130 Å²	130	40 Å²	40	84%	0.844	22%	0.223	S	C	*	.	S	Bend	trans	-60.6	-29.7	172.6	-24.1	36.3	0	0	0	113.8
243	E	87	Confident	95.1	Very high	156 Å²	156	42.4 Å²	42.4	73%	0.729	25%	0.249	S	C	*	.	S	Bend	trans	-97.3	-30.7	-177.9	-47.8	80.3	-158.3	0	0	114.4	S241	S241-E243 PolarHBondContact O-N 3.17Å; S241-E243 PolarHBondContact OG-N 3.45Å; S241-E243 PolarHBondContact OG-OE2 3.28Å; S241-E243 VanDerWaalsContact OG-OE2 3.06Å
244	K	90.9	Very high	95	Very high	84 Å²	84	40 Å²	40	37%	0.365	24%	0.239	S	C	.	.			trans	-139.9	148.8	-167.5	-163.2	-178.5	-174.5	-169.9	0	112.7	S241 E246 T314 M315	S241-K244 PolarHBondContact N-O 3.29Å; S241-K244 PolarHBondContact OG-N 3.17Å; S241-K244 PolarHBondContact OG-O 3.04Å; K244-E246 HydrophobicContact CD-CG 4.39Å; K244-E246 WeakPolarHBondContact CE-OE1 3.36Å; K244-E246 IonicContact NZ-OE1 3.94Å; K244-E246 PolarHBondContact NZ-OE1 3.21Å; K244-T314 PolarHBondContact NZ-OG1 3.3Å; K244-M315 HydrophobicContact CB-CE 4.31Å; K244-M315 HydrophobicContact CB-SD 4.06Å; K244-M315 HydrophobicContact CD-CG 4.25Å; K244-M315 HydrophobicContact CD-SD 4.08Å; K244-M315 HydrophobicContact CG-SD 3.99Å; K244-M315 WeakPolarHBondContact O-CE 3.33Å
245	V	95.7	Very high	95	Very high	28 Å²	28	43 Å²	43	17%	0.17	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.3	170.1	-177	0	0	0	0	108.8	L202 H205 C238 A239	L202-V245 HydrophobicContact CD2-CB 4.49Å; L202-V245 HydrophobicContact CD2-CG1 3.75Å; H205-V245 HydrophobicContact CB-CB 4.25Å; C238-V245 HydrophobicContact CB-CG1 3.63Å; A239-V245 WeakPolarHBondContact O-CA 3.39Å
246	E	96.1	Very high	95.1	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.033	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.4	175.2	-75	-175.8	172.7	0	0	110.7	C238 A239 K244 L248 Q313 T314 M315	C238-E246 CarbonylContact C-O 3.49Å; C238-E246 VanDerWaalsContact CA-O 3.22Å; C238-E246 WeakPolarHBondContact CA-O 3.37Å; C238-E246 WeakPolarHBondContact CB-O 3.47Å; A239-E246 PolarHBondContact N-O 3.05Å; A239-E246 PolarHBondContact O-N 2.9Å; K244-E246 HydrophobicContact CD-CG 4.39Å; K244-E246 WeakPolarHBondContact CE-OE1 3.36Å; K244-E246 IonicContact NZ-OE1 3.94Å; K244-E246 PolarHBondContact NZ-OE1 3.21Å; E246-L248 PolarHBondContact O-N 3.42Å; E246-Q313 WeakPolarHBondContact OE2-CA 3.29Å; E246-Q313 PolarHBondContact OE2-N 3.02Å; E246-T314 PolarHBondContact OE1-N 3.35Å; E246-T314 PolarHBondContact OE1-OG1 3.5Å; E246-T314 PolarHBondContact OE2-N 3.17Å; E246-M315 HydrophobicContact CB-CG 4.44Å; E246-M315 HydrophobicContact CB-SD 3.88Å; E246-M315 HydrophobicContact CG-CG 3.98Å; E246-M315 HydrophobicContact CG-SD 3.66Å; E246-M315 PolarHBondContact OE2-N 3.25Å; E246-M315 VanDerWaalsContact OE2-N 3.15Å
247	I	96.9	Very high	95.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	128.3	172.1	-52.9	165.6	0	0	0	108.8	L202 V206 M211 V216 L236 A249	L202-I247 HydrophobicContact CD1-CD1 3.72Å; L202-I247 HydrophobicContact CD1-CG1 3.64Å; V206-I247 HydrophobicContact CG1-CD1 4.34Å; V206-I247 HydrophobicContact CG2-CD1 4Å; V206-I247 HydrophobicContact CG2-CG1 4.23Å; M211-I247 HydrophobicContact CE-CD1 4.32Å; M211-I247 HydrophobicContact SD-CD1 3.59Å; M211-I247 VanDerWaalsContact SD-CD1 3.59Å; V216-I247 HydrophobicContact CB-CG2 4.18Å; V216-I247 HydrophobicContact CG1-CG2 3.66Å; L236-I247 HydrophobicContact CD2-CD1 4.37Å; I247-A249 PolarHBondContact O-N 3.06Å
248	L	97.4	Very high	95	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-63.6	130.4	176.3	-62.8	177.9	0	0	0	110.4	I217 M237 A239 E246 T289 A295 A312 I320	I217-L248 HydrophobicContact CD1-CB 3.55Å; I217-L248 WeakPolarHBondContact CD1-O 3.14Å; M237-L248 HydrophobicContact CB-CD1 3.98Å; M237-L248 WeakPolarHBondContact O-CG 3.28Å; M237-L248 PolarHBondContact O-N 3.13Å; M237-L248 VanDerWaalsContact O-N 3.16Å; A239-L248 HydrophobicContact CB-CD2 4.09Å; E246-L248 PolarHBondContact O-N 3.42Å; L248-T289 HydrophobicContact CD2-CG2 4.25Å; L248-A295 HydrophobicContact CD1-CB 3.87Å; L248-A295 HydrophobicContact CD2-CB 4.16Å; L248-A312 HydrophobicContact CD2-CB 4.04Å; L248-I320 HydrophobicContact CD1-CD1 4.09Å; L248-I320 HydrophobicContact CD1-CG1 4.29Å; L248-I320 HydrophobicContact CD1-CG2 4.01Å
249	A	96.9	Very high	95	Very high	32 Å²	32	49.5 Å²	49.5	26%	0.264	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-91.3	127.3	176.7	0	0	0	0	0	110.2	I247 C310 R311	I247-A249 PolarHBondContact O-N 3.06Å; A249-C310 CarbonylContact O-C 3.5Å; A249-C310 VanDerWaalsContact O-CA 3.28Å; A249-C310 WeakPolarHBondContact O-CA 3.4Å; A249-R311 PolarHBondContact N-O 2.97Å; A249-R311 PolarHBondContact O-N 3.44Å
250	P	97.5	Very high	94.9	Very high	18 Å²	18	50.1 Å²	50.1	12%	0.117	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-73.1	164.1	168.4	31.4	-33.6	0	0	0	111.9	I168 M215 I217	I168-P250 HydrophobicContact CD1-CB 3.54Å; I168-P250 HydrophobicContact CD1-CG 4.31Å; I168-P250 HydrophobicContact CG1-CB 4.33Å; I168-P250 HydrophobicContact CG2-CG 4.35Å; M215-P250 HydrophobicContact CB-CG 3.61Å; M215-P250 WeakPolarHBondContact O-CD 3.36Å; I217-P250 HydrophobicContact CD1-CB 4.44Å
251	P	96.6	Very high	94.7	Very high	19 Å²	19	51.1 Å²	51.1	12%	0.123	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-66.3	159.7	176.8	30.5	-37.6	0	0	0	112.4	S254 V304 K307	P251-S254 WeakPolarHBondContact CG-OG 3.37Å; P251-S254 WeakPolarHBondContact O-CB 3.49Å; P251-S254 PolarHBondContact O-N 3.49Å; P251-S254 PolarHBondContact O-OG 3.3Å; P251-V304 HydrophobicContact CG-CB 3.93Å; P251-V304 HydrophobicContact CG-CG2 4.02Å; P251-K307 WeakPolarHBondContact CB-O 3.29Å; P251-K307 HydrophobicContact CG-CB 4.03Å
252	N	94.3	Very high	94.7	Very high	160 Å²	160	50.1 Å²	50.1	86%	0.856	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	139.5	177.3	-69.5	-30.9	0	0	0	111.3	S254	N252-S254 VanDerWaalsContact C-N 3.29Å
253	G	92.6	Very high	94.5	Very high	60 Å²	60	49.6 Å²	49.6	62%	0.619	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	0	-177.6	0	0	0	0	0	115	K307	G253-K307 WeakPolarHBondContact O-CD 3.45Å; G253-K307 WeakPolarHBondContact O-CE 3.46Å; G253-K307 PolarHBondContact O-NZ 2.94Å
254	S	96.5	Very high	94.6	Very high	14 Å²	14	45.1 Å²	45.1	10%	0.098	27%	0.271	C	S	.	.			trans	-59.7	144	166.7	-78.9	0	0	0	0	111.6	M215 P251 N252 D258	M215-S254 WeakPolarHBondContact CE-O 3.45Å; P251-S254 WeakPolarHBondContact CG-OG 3.37Å; P251-S254 WeakPolarHBondContact O-CB 3.49Å; P251-S254 PolarHBondContact O-N 3.49Å; P251-S254 PolarHBondContact O-OG 3.3Å; N252-S254 VanDerWaalsContact C-N 3.29Å; S254-D258 VanDerWaalsContact CA-OD2 3.25Å; S254-D258 WeakPolarHBondContact CA-OD2 3.48Å
255	V	97	Very high	94.6	Very high	73 Å²	73	43.3 Å²	43.3	44%	0.442	26%	0.264	S	S	.	.			trans	-123.5	154.2	179.6	-59.7	0	0	0	0	110.4	I168 G257 D258	I168-V255 WeakPolarHBondContact CB-O 3.17Å; V255-G257 PolarHBondContact O-N 3.18Å; V255-D258 WeakPolarHBondContact CG2-OD1 3.41Å; V255-D258 PolarHBondContact N-OD2 2.95Å; V255-D258 WeakPolarHBondContact O-CB 3.25Å; V255-D258 PolarHBondContact O-N 2.88Å; V255-D258 VanDerWaalsContact O-N 3.13Å
256	P	97.9	Very high	94.2	Very high	37 Å²	37	47.7 Å²	47.7	24%	0.24	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	130.7	173.8	-27.9	37.3	0	0	0	112.1	C170 D189	C170-P256 HydrophobicContact CB-CG 3.82Å; D189-P256 HydrophobicContact CB-CB 4.09Å; D189-P256 HydrophobicContact CB-CG 4.2Å; D189-P256 VanDerWaalsContact CG-CB 3.47Å; D189-P256 WeakPolarHBondContact OD2-CB 3.42Å; D189-P256 WeakPolarHBondContact OD2-CG 3.47Å
257	G	96.2	Very high	93.8	Very high	27 Å²	27	49.5 Å²	49.5	28%	0.278	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	-8.5	-178.4	0	0	0	0	0	115.9	I168 V190 V255 R259	I168-G257 PolarHBondContact O-N 2.95Å; V190-G257 WeakPolarHBondContact O-CA 3.46Å; V190-G257 PolarHBondContact O-N 3.19Å; V255-G257 PolarHBondContact O-N 3.18Å; G257-R259 PolarHBondContact O-N 3.4Å
258	D	97.2	Very high	93.4	Very high	33 Å²	33	55.6 Å²	55.6	18%	0.176	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-53.4	133.3	166.2	-81.3	-24.3	0	0	0	109.5	R167 I168 S254 V255 V304 K307	R167-D258 CarbonylContact C-O 3.37Å; R167-D258 VanDerWaalsContact CA-O 3.26Å; R167-D258 WeakPolarHBondContact CA-O 3.47Å; I168-D258 HydrophobicContact CB-CB 3.99Å; I168-D258 HydrophobicContact CG1-CB 3.66Å; I168-D258 PolarHBondContact N-O 3.35Å; S254-D258 VanDerWaalsContact CA-OD2 3.25Å; S254-D258 WeakPolarHBondContact CA-OD2 3.48Å; V255-D258 WeakPolarHBondContact CG2-OD1 3.41Å; V255-D258 PolarHBondContact N-OD2 2.95Å; V255-D258 WeakPolarHBondContact O-CB 3.25Å; V255-D258 PolarHBondContact O-N 2.88Å; V255-D258 VanDerWaalsContact O-N 3.13Å; D258-V304 HydrophobicContact CB-CG1 3.83Å; D258-K307 IonicContact OD1-NZ 3.47Å; D258-K307 PolarHBondContact OD1-NZ 3.27Å; D258-K307 IonicContact OD2-NZ 2.68Å; D258-K307 PolarHBondContact OD2-NZ 3.32Å
259	R	96.1	Very high	93.2	Very high	109 Å²	109	57 Å²	57	41%	0.411	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-88.5	139.9	176.5	-72.2	-176.4	168.8	-160.2	-5.4	111	R167 G257 T261 E268	R167-R259 HydrophobicContact CG-CG 4.37Å; G257-R259 PolarHBondContact O-N 3.4Å; R259-T261 HydrophobicContact CB-CG2 4.37Å; R259-E268 IonicContact NH1-OE1 3.33Å; R259-E268 IonicContact NH1-OE2 2.68Å; R259-E268 PolarHBondContact NH1-OE2 2.95Å
260	I	95.7	Very high	93	Very high	12 Å²	12	56.7 Å²	56.7	6%	0.062	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	132.7	161.5	-51.7	-50.9	0	0	0	107.8	L166 I168 I217 F262 F302 E303 V304 C310	L166-I260 HydrophobicContact CB-CB 3.82Å; L166-I260 HydrophobicContact CB-CG1 3.94Å; L166-I260 PolarHBondContact O-N 2.98Å; I168-I260 HydrophobicContact CD1-CD1 3.55Å; I168-I260 HydrophobicContact CG1-CD1 4.35Å; I217-I260 HydrophobicContact CG1-CD1 4.24Å; I217-I260 HydrophobicContact CG2-CD1 4.42Å; I217-I260 HydrophobicContact CG2-CG1 3.85Å; I260-F262 HydrophobicContact CG2-CE2 3.8Å; I260-F262 HydrophobicContact CG2-CZ 3.73Å; I260-F302 HydrophobicContact CG1-CD2 4.43Å; I260-F302 HydrophobicContact CG2-CB 3.86Å; I260-F302 HydrophobicContact CG2-CD2 3.78Å; I260-F302 HydrophobicContact CG2-CG 3.93Å; I260-E303 WeakPolarHBondContact CA-O 3.39Å; I260-V304 HydrophobicContact CD1-CG2 3.53Å; I260-C310 VanDerWaalsContact CD1-SG 3.59Å
261	T	89.2	Confident	92.8	Very high	37 Å²	37	66 Å²	66	23%	0.227	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151.4	-179	55.7	0	0	0	0	111.6	R259 E303 K305	R259-T261 HydrophobicContact CB-CG2 4.37Å; T261-E303 PolarHBondContact N-O 2.99Å; T261-K305 HydrophobicContact CG2-CG 4.4Å; T261-K305 WeakPolarHBondContact OG1-CE 3.5Å; T261-K305 WeakPolarHBondContact OG1-CG 3.34Å
262	F	91.8	Very high	92.7	Very high	17 Å²	17	69.3 Å²	69.3	8%	0.075	40%	0.398	C	S	.	.			trans	-128.6	103.1	-179.4	-54.8	-94.8	0	0	0	107.9	V161 L166 I260 A264 F265 V300 F302	V161-F262 HydrophobicContact CB-CD2 4.34Å; V161-F262 HydrophobicContact CB-CE2 4.3Å; V161-F262 HydrophobicContact CG1-CB 4.05Å; V161-F262 HydrophobicContact CG1-CD1 4.05Å; V161-F262 HydrophobicContact CG1-CD2 3.49Å; V161-F262 VanDerWaalsContact CG1-CD2 3.49Å; V161-F262 HydrophobicContact CG1-CE1 4.4Å; V161-F262 HydrophobicContact CG1-CE2 3.91Å; V161-F262 HydrophobicContact CG1-CG 3.59Å; V161-F262 HydrophobicContact CG1-CZ 4.34Å; V161-F262 HydrophobicContact CG2-CD2 3.92Å; V161-F262 HydrophobicContact CG2-CE1 4.24Å; V161-F262 HydrophobicContact CG2-CE2 3.4Å; V161-F262 VanDerWaalsContact CG2-CE2 3.4Å; V161-F262 HydrophobicContact CG2-CZ 3.59Å; L166-F262 HydrophobicContact CD1-CE2 4.04Å; L166-F262 HydrophobicContact CD1-CZ 4.12Å; I260-F262 HydrophobicContact CG2-CE2 3.8Å; I260-F262 HydrophobicContact CG2-CZ 3.73Å; F262-A264 PolarHBondContact O-N 2.96Å; F262-A264 VanDerWaalsContact O-N 3.15Å; F262-F265 HydrophobicContact CB-CB 4.15Å; F262-F265 HydrophobicContact CB-CD2 4.11Å; F262-F265 CarbonylContact O-C 3.57Å; F262-F265 PolarHBondContact O-N 3Å; F262-V300 HydrophobicContact CB-CG1 4.41Å; F262-V300 HydrophobicContact CD1-CG1 4.2Å; F262-F302 AromaticContact CE1-CD1 3.45Å; F262-F302 HydrophobicContact CE1-CD1 3.45Å; F262-F302 VanDerWaalsContact CE1-CD1 3.45Å; F262-F302 AromaticContact CE1-CE1 3.66Å; F262-F302 HydrophobicContact CE1-CE1 3.66Å; F262-F302 HydrophobicContact CE1-CG 4.08Å; F262-F302 HydrophobicContact CE1-CZ 4.45Å; F262-F302 AromaticContact CZ-CD1 3.6Å; F262-F302 HydrophobicContact CZ-CD1 3.6Å; F262-F302 HydrophobicContact CZ-CD2 4.27Å; F262-F302 AromaticContact CZ-CE1 3.58Å; F262-F302 HydrophobicContact CZ-CE1 3.58Å; F262-F302 HydrophobicContact CZ-CE2 4.26Å; F262-F302 AromaticContact CZ-CG 3.94Å; F262-F302 HydrophobicContact CZ-CG 3.94Å; F262-F302 AromaticContact CZ-CZ 3.92Å; F262-F302 HydrophobicContact CZ-CZ 3.92Å
263	D	84.5	Confident	92.6	Very high	118 Å²	118	62 Å²	62	63%	0.631	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.6	-174.7	-78.5	-8.4	0	0	0	113	F265 K305	D263-F265 VanDerWaalsContact C-N 3.33Å; D263-K305 IonicContact OD1-NZ 2.86Å; D263-K305 PolarHBondContact OD1-NZ 3.17Å; D263-K305 IonicContact OD2-NZ 3.54Å
264	A	89.9	Confident	92.4	Very high	62 Å²	62	62.4 Å²	62.4	51%	0.512	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-16.3	171.5	0	0	0	0	0	114.5	F262 V300	F262-A264 PolarHBondContact O-N 2.96Å; F262-A264 VanDerWaalsContact O-N 3.15Å; A264-V300 HydrophobicContact CB-CG1 4.23Å; A264-V300 HydrophobicContact CB-CG2 3.9Å
265	F	90.8	Very high	92.1	Very high	47 Å²	47	65.4 Å²	65.4	21%	0.206	37%	0.365	C	S	.	.	S	Bend	trans	-128.6	72.7	-176.7	-60.4	-76.7	0	0	0	110.7	D160 V161 S162 F262 D263 G267 Y297 K298 V300	D160-F265 HydrophobicContact CB-CD1 3.93Å; D160-F265 HydrophobicContact CB-CE1 4.41Å; V161-F265 HydrophobicContact CG1-CB 3.88Å; V161-F265 HydrophobicContact CG1-CD2 3.94Å; V161-F265 HydrophobicContact CG1-CG 4.01Å; S162-F265 WeakPolarHBondContact CB-O 3.29Å; F262-F265 HydrophobicContact CB-CB 4.15Å; F262-F265 HydrophobicContact CB-CD2 4.11Å; F262-F265 CarbonylContact O-C 3.57Å; F262-F265 PolarHBondContact O-N 3Å; D263-F265 VanDerWaalsContact C-N 3.33Å; F265-G267 PolarHBondContact O-N 3.45Å; F265-Y297 HydrophobicContact CD1-CE1 4.1Å; F265-Y297 AromaticContact CD2-CD1 3.69Å; F265-Y297 HydrophobicContact CD2-CD1 3.69Å; F265-Y297 AromaticContact CD2-CE1 3.91Å; F265-Y297 HydrophobicContact CD2-CE1 3.91Å; F265-Y297 HydrophobicContact CE1-CD1 4.48Å; F265-Y297 AromaticContact CE1-CE1 3.81Å; F265-Y297 HydrophobicContact CE1-CE1 3.81Å; F265-Y297 AromaticContact CE2-CD1 3.41Å; F265-Y297 HydrophobicContact CE2-CD1 3.41Å; F265-Y297 VanDerWaalsContact CE2-CD1 3.41Å; F265-Y297 AromaticContact CE2-CE1 3.59Å; F265-Y297 HydrophobicContact CE2-CE1 3.59Å; F265-Y297 HydrophobicContact CG-CD1 4.34Å; F265-Y297 HydrophobicContact CG-CE1 4.16Å; F265-Y297 AromaticContact CZ-CD1 3.86Å; F265-Y297 HydrophobicContact CZ-CD1 3.86Å; F265-Y297 AromaticContact CZ-CE1 3.54Å; F265-Y297 HydrophobicContact CZ-CE1 3.54Å; F265-K298 HydrophobicContact CZ-CD 4.23Å; F265-V300 HydrophobicContact CE2-CB 4.31Å; F265-V300 HydrophobicContact CE2-CG2 3.83Å
266	P	87.3	Confident	91.7	Very high	119 Å²	119	71.1 Å²	71.1	77%	0.773	38%	0.384	S	S	*	.			trans	-71	125.4	-179.8	29.2	-34.9	0	0	0	111.6
267	G	87.4	Confident	91.3	Very high	46 Å²	46	72.4 Å²	72.4	47%	0.474	39%	0.386	S	S	.	.			trans	178.6	165.9	174.2	0	0	0	0	0	112.4	F265	F265-G267 PolarHBondContact O-N 3.45Å
268	E	89.6	Confident	91.1	Very high	127 Å²	127	77.1 Å²	77.1	59%	0.593	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-98.8	135.3	171	-77.6	-63.3	148.2	0	0	110.9	K157 S162 R259	K157-E268 PolarHBondContact NZ-O 3.37Å; K157-E268 VanDerWaalsContact NZ-O 3.1Å; S162-E268 CarbonylContact O-C 3.57Å; R259-E268 IonicContact NH1-OE1 3.33Å; R259-E268 IonicContact NH1-OE2 2.68Å; R259-E268 PolarHBondContact NH1-OE2 2.95Å
269	P	93.4	Very high	90.9	Very high	30 Å²	30	75.7 Å²	75.7	20%	0.195	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-54.4	152.6	176.2	-28	35.5	0	0	0	113.6	S162 L164 D165	S162-P269 VanDerWaalsContact O-CA 3.28Å; S162-P269 WeakPolarHBondContact O-CA 3.49Å; L164-P269 WeakPolarHBondContact O-CG 3.18Å; D165-P269 HydrophobicContact CB-CB 3.73Å; D165-P269 HydrophobicContact CB-CG 4.14Å
270	D	92.1	Very high	90.8	Very high	26 Å²	26	72.2 Å²	72.2	14%	0.139	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-72.5	144.4	170.7	-67.5	-26.2	0	0	0	110.5	K157 R163 N221 E272 L273	K157-D270 IonicContact NZ-OD1 3.95Å; K157-D270 PolarHBondContact NZ-OD1 2.93Å; R163-D270 IonicContact CZ-OD2 2.71Å; R163-D270 IonicContact NE-OD1 2.56Å; R163-D270 IonicContact NE-OD2 3.7Å; R163-D270 PolarHBondContact NE-OD2 3.41Å; R163-D270 IonicContact NH2-OD1 2.94Å; R163-D270 IonicContact NH2-OD2 3.73Å; R163-D270 PolarHBondContact NH2-OD2 2.92Å; R163-D270 PolarHBondContact O-N 2.87Å; R163-D270 VanDerWaalsContact O-N 3.14Å; N221-D270 VanDerWaalsContact CB-O 3.25Å; N221-D270 WeakPolarHBondContact CB-O 3.45Å; N221-D270 PolarHBondContact ND2-O 2.79Å; D270-E272 VanDerWaalsContact C-N 3.3Å; D270-E272 PolarHBondContact O-N 3.49Å; D270-L273 HydrophobicContact CB-CD2 4.3Å
271	K	92.4	Very high	90.7	Very high	214 Å²	214	76.3 Å²	76.3	93%	0.93	40%	0.397	S	S	*	.	S	Bend	trans	-61.6	-36.6	179.3	-176.8	178.3	178.4	179.6	0	113.4
272	E	94.1	Very high	90.9	Very high	88 Å²	88	79.1 Å²	79.1	41%	0.411	41%	0.407	S	S	.	.	S	Bend	trans	-148.2	128.5	169.6	-171.5	-170.1	95.2	0	0	107.2	N221 K223 D270 N274	N221-E272 CarbonylContact O-C 3.4Å; N221-E272 WeakPolarHBondContact O-CA 3.35Å; K223-E272 HydrophobicContact CB-CG 4.16Å; K223-E272 IonicContact NZ-OE1 2.7Å; K223-E272 PolarHBondContact NZ-OE1 3.38Å; K223-E272 IonicContact NZ-OE2 3.84Å; K223-E272 PolarHBondContact NZ-OE2 2.99Å; D270-E272 VanDerWaalsContact C-N 3.3Å; D270-E272 PolarHBondContact O-N 3.49Å; E272-N274 PolarHBondContact O-N 3.04Å
273	L	92.1	Very high	91.1	Very high	7 Å²	7	78.3 Å²	78.3	4%	0.037	40%	0.404	C	S	.	.			trans	-70.3	119.5	175.2	-68	170.7	0	0	0	109.5	L164 N221 L222 D270 P275 I279	L164-L273 HydrophobicContact CD2-CD1 3.67Å; L164-L273 HydrophobicContact CD2-CD2 4.32Å; N221-L273 PolarHBondContact O-N 3.16Å; N221-L273 WeakPolarHBondContact OD1-CD1 3.42Å; L222-L273 HydrophobicContact CD2-CD1 3.97Å; L222-L273 HydrophobicContact CG-CD1 4.37Å; D270-L273 HydrophobicContact CB-CD2 4.3Å; L273-P275 VanDerWaalsContact O-CD 3.22Å; L273-P275 WeakPolarHBondContact O-CD 3.46Å; L273-I279 HydrophobicContact CD2-CB 4.19Å; L273-I279 HydrophobicContact CD2-CD1 4.06Å; L273-I279 HydrophobicContact CD2-CG2 3.9Å
274	N	90	Very high	91.6	Very high	68 Å²	68	74.8 Å²	74.8	36%	0.364	38%	0.384	S	S	.	.			trans	-73.5	114.7	179.5	-177.9	-15.3	0	0	0	110.7	E272 K276 K277	E272-N274 PolarHBondContact O-N 3.04Å; N274-K276 PolarHBondContact O-N 3.16Å; N274-K276 VanDerWaalsContact O-N 3.09Å; N274-K276 WeakPolarHBondContact OD1-CB 3.26Å; N274-K276 PolarHBondContact OD1-N 3.39Å; N274-K277 HydrophobicContact CB-CB 4.46Å; N274-K277 HydrophobicContact CB-CD 4.49Å; N274-K277 HydrophobicContact CB-CG 4.22Å; N274-K277 PolarHBondContact O-N 2.95Å
275	P	89.3	Confident	91.9	Very high	76 Å²	76	76.2 Å²	76.2	49%	0.494	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-61.1	-24.8	-177.2	-23.8	35.4	0	0	0	113.7	K223 L273 K277 K278	K223-P275 HydrophobicContact CB-CG 4.1Å; K223-P275 HydrophobicContact CD-CG 4.02Å; L273-P275 VanDerWaalsContact O-CD 3.22Å; L273-P275 WeakPolarHBondContact O-CD 3.46Å; P275-K277 VanDerWaalsContact C-N 3.27Å; P275-K277 PolarHBondContact O-N 2.95Å; P275-K278 PolarHBondContact O-N 3.42Å
276	K	88.7	Confident	92.1	Very high	193 Å²	193	76.5 Å²	76.5	84%	0.839	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-69.6	-24.3	176.7	-60.4	-175.4	178.7	-177.4	0	113.1	N274	N274-K276 PolarHBondContact O-N 3.16Å; N274-K276 VanDerWaalsContact O-N 3.09Å; N274-K276 WeakPolarHBondContact OD1-CB 3.26Å; N274-K276 PolarHBondContact OD1-N 3.39Å
277	K	90	Very high	92.5	Very high	65 Å²	65	70.9 Å²	70.9	28%	0.283	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-85.9	-10.3	178.8	-68.4	-166.6	174	-165.2	0	113	A154 D155 N274 P275 I279 Q282	A154-K277 PolarHBondContact O-NZ 3.36Å; D155-K277 WeakPolarHBondContact OD1-CE 3.37Å; D155-K277 IonicContact OD1-NZ 3.15Å; D155-K277 PolarHBondContact OD1-NZ 2.93Å; D155-K277 IonicContact OD2-NZ 3.94Å; N274-K277 HydrophobicContact CB-CB 4.46Å; N274-K277 HydrophobicContact CB-CD 4.49Å; N274-K277 HydrophobicContact CB-CG 4.22Å; N274-K277 PolarHBondContact O-N 2.95Å; P275-K277 VanDerWaalsContact C-N 3.27Å; P275-K277 PolarHBondContact O-N 2.95Å; K277-I279 VanDerWaalsContact C-N 3.26Å; K277-I279 HydrophobicContact CB-CD1 3.84Å; K277-I279 HydrophobicContact CB-CG1 3.76Å; K277-I279 HydrophobicContact CD-CD1 4.31Å; K277-I279 PolarHBondContact O-N 3.44Å; K277-Q282 PolarHBondContact O-NE2 3.24Å
278	K	91.9	Very high	93	Very high	125 Å²	125	71.9 Å²	71.9	54%	0.543	35%	0.347	S	S	.	.			trans	45.2	47.5	-179.8	-62.7	-166.2	174.3	-171.7	0	113.8	P275 E281 Q282	P275-K278 PolarHBondContact O-N 3.42Å; K278-E281 WeakPolarHBondContact CA-OE2 3.22Å; K278-E281 HydrophobicContact CB-CB 4.31Å; K278-E281 WeakPolarHBondContact CG-OE1 3.4Å; K278-Q282 WeakPolarHBondContact O-CG 3.48Å; K278-Q282 PolarHBondContact O-N 3.27Å; K278-Q282 PolarHBondContact O-NE2 3.43Å
279	I	93	Very high	93.4	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.015	32%	0.319	C	S	.	.	H	α-helix	trans	-70.1	-44.8	-172.9	-65.9	154.9	0	0	0	110	I159 R163 L273 K277 E281 Q282 I283	I159-I279 HydrophobicContact CG2-CG2 4.47Å; R163-I279 HydrophobicContact CB-CG2 4.3Å; R163-I279 VanDerWaalsContact NH2-CD1 3.33Å; L273-I279 HydrophobicContact CD2-CB 4.19Å; L273-I279 HydrophobicContact CD2-CD1 4.06Å; L273-I279 HydrophobicContact CD2-CG2 3.9Å; K277-I279 VanDerWaalsContact C-N 3.26Å; K277-I279 HydrophobicContact CB-CD1 3.84Å; K277-I279 HydrophobicContact CB-CG1 3.76Å; K277-I279 HydrophobicContact CD-CD1 4.31Å; K277-I279 PolarHBondContact O-N 3.44Å; I279-E281 PolarHBondContact O-N 2.93Å; I279-Q282 PolarHBondContact O-N 3.48Å; I279-I283 HydrophobicContact CG2-CD1 3.67Å; I279-I283 WeakPolarHBondContact O-CD1 3.49Å; I279-I283 WeakPolarHBondContact O-CG1 3.33Å; I279-I283 PolarHBondContact O-N 2.96Å
280	W	94	Very high	93.5	Very high	36 Å²	36	66.5 Å²	66.5	14%	0.136	32%	0.321	C	S	.	.	H	α-helix	trans	-58.5	-47.7	175.8	167.5	-115.1	0	0	0	111.1	L164 L219 M235 M237 Q282 I283 Q284 L287	L164-W280 HydrophobicContact CD1-CE3 3.9Å; L164-W280 HydrophobicContact CD1-CZ3 3.9Å; L164-W280 HydrophobicContact CD2-CE3 4.35Å; L219-W280 HydrophobicContact CD2-CD2 4.24Å; L219-W280 HydrophobicContact CD2-CE3 3.76Å; L219-W280 HydrophobicContact CD2-CZ3 4.06Å; M235-W280 HydrophobicContact CE-CH2 4.12Å; M235-W280 HydrophobicContact CE-CZ2 3.66Å; M237-W280 HydrophobicContact CE-CH2 3.61Å; M237-W280 HydrophobicContact CE-CZ3 3.96Å; W280-Q282 PolarHBondContact O-N 2.87Å; W280-I283 PolarHBondContact O-N 3.38Å; W280-Q284 HydrophobicContact CD2-CB 4.27Å; W280-Q284 HydrophobicContact CH2-CB 4.27Å; W280-Q284 HydrophobicContact CH2-CG 4.02Å; W280-Q284 HydrophobicContact CZ2-CB 4Å; W280-Q284 HydrophobicContact CZ2-CG 3.57Å; W280-Q284 VanDerWaalsContact O-CB 3.29Å; W280-Q284 WeakPolarHBondContact O-CB 3.27Å; W280-Q284 PolarHBondContact O-N 3.49Å; W280-L287 HydrophobicContact CE3-CD1 4.48Å; W280-L287 HydrophobicContact CH2-CD1 3.78Å; W280-L287 HydrophobicContact CZ3-CD1 3.45Å; W280-L287 VanDerWaalsContact CZ3-CD1 3.45Å
281	E	94.1	Very high	93.7	Very high	99 Å²	99	71.3 Å²	71.3	46%	0.463	35%	0.346	S	S	.	.	H	α-helix	trans	-68.5	-16.6	-177.8	-54	96.2	123.7	0	0	113.9	K278 I279 P285	K278-E281 WeakPolarHBondContact CA-OE2 3.22Å; K278-E281 HydrophobicContact CB-CB 4.31Å; K278-E281 WeakPolarHBondContact CG-OE1 3.4Å; I279-E281 PolarHBondContact O-N 2.93Å; E281-P285 WeakPolarHBondContact O-CD 3.42Å
282	Q	93.6	Very high	93.8	Very high	95 Å²	95	68 Å²	68	44%	0.444	34%	0.335	S	S	.	.	H	α-helix	trans	-87.7	-25.1	170.8	-77.3	168.8	84	0	0	113	I159 K277 K278 I279 W280	I159-Q282 VanDerWaalsContact CD1-OE1 3.31Å; I159-Q282 HydrophobicContact CG2-CB 3.9Å; K277-Q282 PolarHBondContact O-NE2 3.24Å; K278-Q282 WeakPolarHBondContact O-CG 3.48Å; K278-Q282 PolarHBondContact O-N 3.27Å; K278-Q282 PolarHBondContact O-NE2 3.43Å; I279-Q282 PolarHBondContact O-N 3.48Å; W280-Q282 PolarHBondContact O-N 2.87Å
283	I	94.6	Very high	93.9	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-91.7	-36.2	-179.4	-66	164.7	0	0	0	110.9	I159 D160 V161 L164 I279 W280 P285 D286 L287 Y297	I159-I283 HydrophobicContact CG2-CG1 4.26Å; D160-I283 WeakPolarHBondContact O-CD1 3.43Å; V161-I283 HydrophobicContact CB-CG2 4.47Å; L164-I283 HydrophobicContact CD1-CD1 4.43Å; L164-I283 HydrophobicContact CD1-CG2 3.85Å; L164-I283 HydrophobicContact CD2-CD1 3.97Å; L164-I283 HydrophobicContact CG-CD1 4.02Å; I279-I283 HydrophobicContact CG2-CD1 3.67Å; I279-I283 WeakPolarHBondContact O-CD1 3.49Å; I279-I283 WeakPolarHBondContact O-CG1 3.33Å; I279-I283 PolarHBondContact O-N 2.96Å; W280-I283 PolarHBondContact O-N 3.38Å; I283-P285 VanDerWaalsContact C-CD 3.44Å; I283-D286 PolarHBondContact O-N 2.94Å; I283-D286 VanDerWaalsContact O-N 3.08Å; I283-L287 HydrophobicContact CG2-CD1 4.09Å; I283-L287 HydrophobicContact CG2-CG 4.16Å; I283-Y297 HydrophobicContact CG2-CD2 4.02Å; I283-Y297 HydrophobicContact CG2-CE2 3.69Å
284	Q	95.3	Very high	94.2	Very high	44 Å²	44	64.6 Å²	64.6	21%	0.206	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-55	-38.4	-175.9	-170.6	-76.9	-45.3	0	0	114.5	W280 D286 L287 I320	W280-Q284 HydrophobicContact CD2-CB 4.27Å; W280-Q284 HydrophobicContact CH2-CB 4.27Å; W280-Q284 HydrophobicContact CH2-CG 4.02Å; W280-Q284 HydrophobicContact CZ2-CB 4Å; W280-Q284 HydrophobicContact CZ2-CG 3.57Å; W280-Q284 VanDerWaalsContact O-CB 3.29Å; W280-Q284 WeakPolarHBondContact O-CB 3.27Å; W280-Q284 PolarHBondContact O-N 3.49Å; Q284-D286 PolarHBondContact O-N 2.93Å; Q284-L287 WeakPolarHBondContact O-CB 3.47Å; Q284-L287 PolarHBondContact O-N 3.29Å; Q284-I320 PolarHBondContact NE2-O 2.88Å
285	P	95.6	Very high	94.5	Very high	92 Å²	92	61.4 Å²	61.4	60%	0.597	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-62.4	-27.1	177.1	-25.1	36.2	0	0	0	114.3	E281 I283	E281-P285 WeakPolarHBondContact O-CD 3.42Å; I283-P285 VanDerWaalsContact C-CD 3.44Å
286	D	95.6	Very high	94.9	Very high	53 Å²	53	57.8 Å²	57.8	28%	0.283	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-87.2	-7.6	177.4	-68.6	-53.2	0	0	0	112.8	I283 Q284 H288 Y297 K298	I283-D286 PolarHBondContact O-N 2.94Å; I283-D286 VanDerWaalsContact O-N 3.08Å; Q284-D286 PolarHBondContact O-N 2.93Å; D286-H288 PolarHBondContact O-ND1 3.11Å; D286-Y297 HydrophobicContact CB-CD2 3.71Å; D286-Y297 HydrophobicContact CB-CE2 3.44Å; D286-Y297 VanDerWaalsContact CB-CE2 3.44Å; D286-K298 HydrophobicContact CB-CG 3.76Å; D286-K298 PolarHBondContact O-N 3.43Å; D286-K298 VanDerWaalsContact O-N 3.12Å; D286-K298 WeakPolarHBondContact OD1-CE 3.25Å; D286-K298 WeakPolarHBondContact OD2-CE 3.45Å; D286-K298 IonicContact OD2-NZ 2.99Å; D286-K298 PolarHBondContact OD2-NZ 3.01Å
287	L	96.4	Very high	95.2	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	109.8	180	-67.5	178.8	0	0	0	111.1	L164 W280 I283 Q284 T296 Y297 F302 I320	L164-L287 HydrophobicContact CD1-CD1 4.44Å; W280-L287 HydrophobicContact CE3-CD1 4.48Å; W280-L287 HydrophobicContact CH2-CD1 3.78Å; W280-L287 HydrophobicContact CZ3-CD1 3.45Å; W280-L287 VanDerWaalsContact CZ3-CD1 3.45Å; I283-L287 HydrophobicContact CG2-CD1 4.09Å; I283-L287 HydrophobicContact CG2-CG 4.16Å; Q284-L287 WeakPolarHBondContact O-CB 3.47Å; Q284-L287 PolarHBondContact O-N 3.29Å; L287-T296 WeakPolarHBondContact CA-O 3.35Å; L287-Y297 HydrophobicContact CD2-CD2 3.66Å; L287-Y297 HydrophobicContact CD2-CG 4.08Å; L287-Y297 HydrophobicContact CG-CD2 4.18Å; L287-F302 HydrophobicContact CD2-CE1 3.71Å; L287-F302 HydrophobicContact CD2-CZ 3.75Å; L287-I320 HydrophobicContact CB-CB 4Å; L287-I320 PolarHBondContact O-N 3.38Å
288	H	97	Very high	95.5	Very high	67 Å²	67	50.8 Å²	50.8	31%	0.31	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	154.7	-178.1	59.5	-73.6	0	0	0	111.6	D286 T296 S318	D286-H288 PolarHBondContact O-ND1 3.11Å; H288-T296 PolarHBondContact N-O 2.93Å; H288-T296 VanDerWaalsContact N-O 3.13Å; H288-T296 WeakPolarHBondContact O-CA 3.42Å; H288-T296 PolarHBondContact O-N 2.85Å; H288-T296 PolarHBondContact O-OG1 3.28Å; H288-S318 CarbonylContact C-O 3.57Å; H288-S318 VanDerWaalsContact CA-O 3.26Å; H288-S318 WeakPolarHBondContact CA-O 3.32Å
289	T	97.6	Very high	95.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	149.2	165.9	53.9	0	0	0	0	110.8	A239 L248 V294 A312 M315 N317 S318 I320	A239-T289 HydrophobicContact CB-CG2 4.12Å; L248-T289 HydrophobicContact CD2-CG2 4.25Å; T289-V294 CarbonylContact C-O 3.51Å; T289-V294 WeakPolarHBondContact CA-O 3.26Å; T289-A312 HydrophobicContact CG2-CB 3.97Å; T289-M315 VanDerWaalsContact CB-O 3.29Å; T289-M315 WeakPolarHBondContact CB-O 3.46Å; T289-M315 PolarHBondContact OG1-O 3.11Å; T289-N317 WeakPolarHBondContact O-CA 3.31Å; T289-N317 PolarHBondContact O-N 3.09Å; T289-N317 VanDerWaalsContact O-N 3.14Å; T289-N317 PolarHBondContact OG1-N 3.34Å; T289-S318 PolarHBondContact N-O 3.23Å; T289-S318 PolarHBondContact OG1-N 3.4Å; T289-S318 PolarHBondContact OG1-O 3.26Å; T289-I320 HydrophobicContact CG2-CD1 4.44Å; T289-I320 HydrophobicContact CG2-CG1 4.47Å
290	N	96.2	Very high	95.7	Very high	43 Å²	43	48.8 Å²	48.8	23%	0.23	26%	0.257	C	S	.	.			trans	-87.8	-172.9	173.3	73.1	-5.7	0	0	0	111.9	E292 C293 V294 T296 S316 N317	N290-E292 PolarHBondContact O-N 3.1Å; N290-E292 WeakPolarHBondContact OD1-CA 3.33Å; N290-E292 PolarHBondContact OD1-N 2.9Å; N290-C293 PolarHBondContact O-N 2.79Å; N290-C293 PolarHBondContact OD1-N 2.88Å; N290-V294 PolarHBondContact N-O 3.43Å; N290-V294 WeakPolarHBondContact OD1-CB 3.26Å; N290-V294 PolarHBondContact OD1-N 3.21Å; N290-V294 PolarHBondContact OD1-O 3.12Å; N290-T296 HydrophobicContact CB-CG2 4.15Å; N290-S316 VanDerWaalsContact O-CA 3.26Å; N290-S316 WeakPolarHBondContact O-CA 3.46Å; N290-S316 VanDerWaalsContact O-CB 3.24Å; N290-S316 WeakPolarHBondContact O-CB 3.48Å; N290-N317 PolarHBondContact O-N 3.28Å
291	D	95.9	Very high	95.7	Very high	127 Å²	127	49.3 Å²	49.3	68%	0.679	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-32.6	175.9	-65	-51.4	0	0	0	113.5	C293 S316 N317	D291-C293 PolarHBondContact O-N 3Å; D291-S316 WeakPolarHBondContact O-CB 3.43Å; D291-N317 PolarHBondContact N-OD1 3.19Å; D291-N317 PolarHBondContact OD1-ND2 3.12Å
292	E	95.2	Very high	95.8	Very high	146 Å²	146	44.6 Å²	44.6	68%	0.682	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	11.7	178.7	-57.6	-173.9	156.9	0	0	113.4	N290 V294	N290-E292 PolarHBondContact O-N 3.1Å; N290-E292 WeakPolarHBondContact OD1-CA 3.33Å; N290-E292 PolarHBondContact OD1-N 2.9Å; E292-V294 HydrophobicContact CB-CG2 4.13Å; E292-V294 PolarHBondContact O-N 2.92Å; E292-V294 VanDerWaalsContact O-N 3.15Å
293	C	96.4	Very high	95.9	Very high	20 Å²	20	43.2 Å²	43.2	14%	0.135	24%	0.237	C	C	.	.	S	Bend	trans	61.9	8.9	-173	-54.7	0	0	0	0	114.9	N290 D291 R311 A312 S316	N290-C293 PolarHBondContact O-N 2.79Å; N290-C293 PolarHBondContact OD1-N 2.88Å; D291-C293 PolarHBondContact O-N 3Å; C293-R311 CarbonylContact O-C 3.57Å; C293-R311 VanDerWaalsContact O-CA 3.28Å; C293-R311 WeakPolarHBondContact O-CA 3.48Å; C293-R311 WeakPolarHBondContact O-CB 3.49Å; C293-A312 HydrophobicContact CB-CB 4.31Å; C293-A312 PolarHBondContact O-N 2.95Å; C293-S316 PolarHBondContact SG-N 3.05Å; C293-S316 VanDerWaalsContact SG-N 3.4Å
294	V	97.1	Very high	96	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-72.5	132.7	176.9	178.1	0	0	0	0	109.3	T289 N290 E292 P301 L309	T289-V294 CarbonylContact C-O 3.51Å; T289-V294 WeakPolarHBondContact CA-O 3.26Å; N290-V294 PolarHBondContact N-O 3.43Å; N290-V294 WeakPolarHBondContact OD1-CB 3.26Å; N290-V294 PolarHBondContact OD1-N 3.21Å; N290-V294 PolarHBondContact OD1-O 3.12Å; E292-V294 HydrophobicContact CB-CG2 4.13Å; E292-V294 PolarHBondContact O-N 2.92Å; E292-V294 VanDerWaalsContact O-N 3.15Å; V294-P301 HydrophobicContact CG1-CB 4.03Å; V294-L309 HydrophobicContact CG1-CB 3.98Å; V294-L309 HydrophobicContact CG1-CD1 4.08Å
295	A	97.3	Very high	95.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	133.2	177.2	0	0	0	0	0	110.8	L248 P301 F302 C310 I320	L248-A295 HydrophobicContact CD1-CB 3.87Å; L248-A295 HydrophobicContact CD2-CB 4.16Å; A295-P301 CarbonylContact O-C 3.52Å; A295-P301 WeakPolarHBondContact O-CA 3.47Å; A295-F302 HydrophobicContact CB-CB 4.09Å; A295-F302 HydrophobicContact CB-CD1 3.98Å; A295-F302 HydrophobicContact CB-CD2 4.28Å; A295-F302 HydrophobicContact CB-CG 3.87Å; A295-F302 WeakPolarHBondContact O-CD1 3.28Å; A295-F302 PolarHBondContact O-N 3.42Å; A295-C310 PolarHBondContact N-O 2.88Å; A295-I320 HydrophobicContact CB-CD1 3.68Å
296	T	96.7	Very high	95.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	157.6	-177.7	79	0	0	0	0	113.2	L287 H288 N290 V300	L287-T296 WeakPolarHBondContact CA-O 3.35Å; H288-T296 PolarHBondContact N-O 2.93Å; H288-T296 VanDerWaalsContact N-O 3.13Å; H288-T296 WeakPolarHBondContact O-CA 3.42Å; H288-T296 PolarHBondContact O-N 2.85Å; H288-T296 PolarHBondContact O-OG1 3.28Å; N290-T296 HydrophobicContact CB-CG2 4.15Å; T296-V300 CarbonylContact C-O 3.55Å; T296-V300 WeakPolarHBondContact CA-O 3.48Å; T296-V300 WeakPolarHBondContact CB-O 3.45Å
297	Y	96.6	Very high	95.6	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117	161.9	174.2	-111	0	0	0	108.5	D160 V161 F265 I283 D286 L287 G299 V300	D160-Y297 HydrophobicContact CB-CE1 4.23Å; V161-Y297 HydrophobicContact CB-CD1 3.56Å; V161-Y297 HydrophobicContact CB-CD2 4.1Å; V161-Y297 HydrophobicContact CB-CE1 3.85Å; V161-Y297 HydrophobicContact CB-CE2 4.35Å; V161-Y297 HydrophobicContact CB-CG 3.7Å; V161-Y297 HydrophobicContact CG1-CD1 3.35Å; V161-Y297 HydrophobicContact CG1-CE1 3.79Å; V161-Y297 HydrophobicContact CG1-CG 3.91Å; V161-Y297 HydrophobicContact CG2-CD1 4.47Å; V161-Y297 HydrophobicContact CG2-CG 4.19Å; F265-Y297 HydrophobicContact CD1-CE1 4.1Å; F265-Y297 AromaticContact CD2-CD1 3.69Å; F265-Y297 HydrophobicContact CD2-CD1 3.69Å; F265-Y297 AromaticContact CD2-CE1 3.91Å; F265-Y297 HydrophobicContact CD2-CE1 3.91Å; F265-Y297 HydrophobicContact CE1-CD1 4.48Å; F265-Y297 AromaticContact CE1-CE1 3.81Å; F265-Y297 HydrophobicContact CE1-CE1 3.81Å; F265-Y297 AromaticContact CE2-CD1 3.41Å; F265-Y297 HydrophobicContact CE2-CD1 3.41Å; F265-Y297 VanDerWaalsContact CE2-CD1 3.41Å; F265-Y297 AromaticContact CE2-CE1 3.59Å; F265-Y297 HydrophobicContact CE2-CE1 3.59Å; F265-Y297 HydrophobicContact CG-CD1 4.34Å; F265-Y297 HydrophobicContact CG-CE1 4.16Å; F265-Y297 AromaticContact CZ-CD1 3.86Å; F265-Y297 HydrophobicContact CZ-CD1 3.86Å; F265-Y297 AromaticContact CZ-CE1 3.54Å; F265-Y297 HydrophobicContact CZ-CE1 3.54Å; I283-Y297 HydrophobicContact CG2-CD2 4.02Å; I283-Y297 HydrophobicContact CG2-CE2 3.69Å; D286-Y297 HydrophobicContact CB-CD2 3.71Å; D286-Y297 HydrophobicContact CB-CE2 3.44Å; D286-Y297 VanDerWaalsContact CB-CE2 3.44Å; L287-Y297 HydrophobicContact CD2-CD2 3.66Å; L287-Y297 HydrophobicContact CD2-CG 4.08Å; L287-Y297 HydrophobicContact CG-CD2 4.18Å; Y297-G299 PolarHBondContact O-N 3.37Å; Y297-V300 PolarHBondContact N-O 3.25Å; Y297-V300 WeakPolarHBondContact O-CB 3.32Å; Y297-V300 PolarHBondContact O-N 2.68Å
298	K	94.4	Very high	95.5	Very high	110 Å²	110	48.5 Å²	48.5	48%	0.478	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	36.9	-174.7	-59.8	-174.7	172.5	167.6	0	113.3	F265 D286 V300	F265-K298 HydrophobicContact CZ-CD 4.23Å; D286-K298 HydrophobicContact CB-CG 3.76Å; D286-K298 PolarHBondContact O-N 3.43Å; D286-K298 VanDerWaalsContact O-N 3.12Å; D286-K298 WeakPolarHBondContact OD1-CE 3.25Å; D286-K298 WeakPolarHBondContact OD2-CE 3.45Å; D286-K298 IonicContact OD2-NZ 2.99Å; D286-K298 PolarHBondContact OD2-NZ 3.01Å; K298-V300 VanDerWaalsContact C-N 3.25Å; K298-V300 PolarHBondContact O-N 3.33Å
299	G	93.3	Very high	95.5	Very high	48 Å²	48	48 Å²	48	50%	0.495	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-6.7	-175.9	0	0	0	0	0	115.6	Y297 P301	Y297-G299 PolarHBondContact O-N 3.37Å; G299-P301 WeakPolarHBondContact O-CD 3.37Å
300	V	95.8	Very high	95.4	Very high	37 Å²	37	48 Å²	48	22%	0.224	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	120.9	173.9	-176.8	0	0	0	0	109.4	F262 A264 F265 T296 Y297 K298	F262-V300 HydrophobicContact CB-CG1 4.41Å; F262-V300 HydrophobicContact CD1-CG1 4.2Å; A264-V300 HydrophobicContact CB-CG1 4.23Å; A264-V300 HydrophobicContact CB-CG2 3.9Å; F265-V300 HydrophobicContact CE2-CB 4.31Å; F265-V300 HydrophobicContact CE2-CG2 3.83Å; T296-V300 CarbonylContact C-O 3.55Å; T296-V300 WeakPolarHBondContact CA-O 3.48Å; T296-V300 WeakPolarHBondContact CB-O 3.45Å; Y297-V300 PolarHBondContact N-O 3.25Å; Y297-V300 WeakPolarHBondContact O-CB 3.32Å; Y297-V300 PolarHBondContact O-N 2.68Å; K298-V300 VanDerWaalsContact C-N 3.25Å; K298-V300 PolarHBondContact O-N 3.33Å
301	P	95.9	Very high	95.5	Very high	47 Å²	47	51.9 Å²	51.9	31%	0.305	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	151.3	-177	-27	37.1	0	0	0	114.9	V294 A295 G299 E303 L309	V294-P301 HydrophobicContact CG1-CB 4.03Å; A295-P301 CarbonylContact O-C 3.52Å; A295-P301 WeakPolarHBondContact O-CA 3.47Å; G299-P301 WeakPolarHBondContact O-CD 3.37Å; P301-E303 PolarHBondContact O-N 2.89Å; P301-L309 HydrophobicContact CB-CD1 4.05Å; P301-L309 HydrophobicContact CB-CD2 3.73Å; P301-L309 HydrophobicContact CB-CG 4.4Å; P301-L309 HydrophobicContact CG-CD1 4.32Å
302	F	96.3	Very high	95.5	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.			trans	-74	103	164.9	-83	48.2	0	0	0	108.7	L166 I260 F262 L287 A295 L309 C310	L166-F302 HydrophobicContact CD1-CE2 3.76Å; L166-F302 HydrophobicContact CD1-CZ 3.98Å; I260-F302 HydrophobicContact CG1-CD2 4.43Å; I260-F302 HydrophobicContact CG2-CB 3.86Å; I260-F302 HydrophobicContact CG2-CD2 3.78Å; I260-F302 HydrophobicContact CG2-CG 3.93Å; F262-F302 AromaticContact CE1-CD1 3.45Å; F262-F302 HydrophobicContact CE1-CD1 3.45Å; F262-F302 VanDerWaalsContact CE1-CD1 3.45Å; F262-F302 AromaticContact CE1-CE1 3.66Å; F262-F302 HydrophobicContact CE1-CE1 3.66Å; F262-F302 HydrophobicContact CE1-CG 4.08Å; F262-F302 HydrophobicContact CE1-CZ 4.45Å; F262-F302 AromaticContact CZ-CD1 3.6Å; F262-F302 HydrophobicContact CZ-CD1 3.6Å; F262-F302 HydrophobicContact CZ-CD2 4.27Å; F262-F302 AromaticContact CZ-CE1 3.58Å; F262-F302 HydrophobicContact CZ-CE1 3.58Å; F262-F302 HydrophobicContact CZ-CE2 4.26Å; F262-F302 AromaticContact CZ-CG 3.94Å; F262-F302 HydrophobicContact CZ-CG 3.94Å; F262-F302 AromaticContact CZ-CZ 3.92Å; F262-F302 HydrophobicContact CZ-CZ 3.92Å; L287-F302 HydrophobicContact CD2-CE1 3.71Å; L287-F302 HydrophobicContact CD2-CZ 3.75Å; A295-F302 HydrophobicContact CB-CB 4.09Å; A295-F302 HydrophobicContact CB-CD1 3.98Å; A295-F302 HydrophobicContact CB-CD2 4.28Å; A295-F302 HydrophobicContact CB-CG 3.87Å; A295-F302 WeakPolarHBondContact O-CD1 3.28Å; A295-F302 PolarHBondContact O-N 3.42Å; F302-L309 WeakPolarHBondContact O-CA 3.37Å; F302-C310 HydrophobicContact CB-CB 3.8Å; F302-C310 PolarHBondContact O-N 3.13Å
303	E	95.5	Very high	95.4	Very high	67 Å²	67	44.5 Å²	44.5	31%	0.313	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136.1	178.7	-171.7	-176.4	161.4	0	0	112.3	I260 T261 P301 L309	I260-E303 WeakPolarHBondContact CA-O 3.39Å; T261-E303 PolarHBondContact N-O 2.99Å; P301-E303 PolarHBondContact O-N 2.89Å; E303-L309 HydrophobicContact CB-CD2 3.9Å; E303-L309 HydrophobicContact CG-CD2 4.06Å
304	V	95.8	Very high	95.4	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.6	157.2	-178.3	0	0	0	0	108	I168 P251 D258 I260 G306 K307 G308	I168-V304 HydrophobicContact CD1-CG2 3.91Å; I168-V304 HydrophobicContact CG1-CG2 3.92Å; P251-V304 HydrophobicContact CG-CB 3.93Å; P251-V304 HydrophobicContact CG-CG2 4.02Å; D258-V304 HydrophobicContact CB-CG1 3.83Å; I260-V304 HydrophobicContact CD1-CG2 3.53Å; V304-G306 PolarHBondContact O-N 3.45Å; V304-K307 HydrophobicContact CB-CB 4.24Å; V304-K307 HydrophobicContact CG1-CB 4.07Å; V304-K307 HydrophobicContact CG1-CD 3.83Å; V304-K307 HydrophobicContact CG1-CG 4.14Å; V304-K307 PolarHBondContact O-N 3.44Å; V304-G308 PolarHBondContact N-O 3.07Å; V304-G308 PolarHBondContact O-N 3.3Å; V304-G308 VanDerWaalsContact O-N 3.13Å
305	K	92.3	Very high	95.2	Very high	114 Å²	114	48.3 Å²	48.3	50%	0.496	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	122	-169.9	-63.6	-152.8	170.2	-146.5	0	112.6	T261 D263 K307	T261-K305 HydrophobicContact CG2-CG 4.4Å; T261-K305 WeakPolarHBondContact OG1-CE 3.5Å; T261-K305 WeakPolarHBondContact OG1-CG 3.34Å; D263-K305 IonicContact OD1-NZ 2.86Å; D263-K305 PolarHBondContact OD1-NZ 3.17Å; D263-K305 IonicContact OD2-NZ 3.54Å; K305-K307 VanDerWaalsContact C-N 3.25Å; K305-K307 PolarHBondContact O-N 3.09Å
306	G	91.4	Very high	95.1	Very high	83 Å²	83	50.7 Å²	50.7	86%	0.856	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	7.2	178.1	0	0	0	0	0	115.5	V304	V304-G306 PolarHBondContact O-N 3.45Å
307	K	94.4	Very high	95	Very high	77 Å²	77	55.3 Å²	55.3	34%	0.335	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-33.2	178.4	-55.5	-171.8	-177.8	-179.1	0	113	P251 G253 D258 V304 K305	P251-K307 WeakPolarHBondContact CB-O 3.29Å; P251-K307 HydrophobicContact CG-CB 4.03Å; G253-K307 WeakPolarHBondContact O-CD 3.45Å; G253-K307 WeakPolarHBondContact O-CE 3.46Å; G253-K307 PolarHBondContact O-NZ 2.94Å; D258-K307 IonicContact OD1-NZ 3.47Å; D258-K307 PolarHBondContact OD1-NZ 3.27Å; D258-K307 IonicContact OD2-NZ 2.68Å; D258-K307 PolarHBondContact OD2-NZ 3.32Å; V304-K307 HydrophobicContact CB-CB 4.24Å; V304-K307 HydrophobicContact CG1-CB 4.07Å; V304-K307 HydrophobicContact CG1-CD 3.83Å; V304-K307 HydrophobicContact CG1-CG 4.14Å; V304-K307 PolarHBondContact O-N 3.44Å; K305-K307 VanDerWaalsContact C-N 3.25Å; K305-K307 PolarHBondContact O-N 3.09Å
308	G	94.8	Very high	95	Very high	25 Å²	25	56 Å²	56	26%	0.258	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	128.7	-155.4	171.2	0	0	0	0	0	114	V304	V304-G308 PolarHBondContact N-O 3.07Å; V304-G308 PolarHBondContact O-N 3.3Å; V304-G308 VanDerWaalsContact O-N 3.13Å
309	L	96.4	Very high	95.1	Very high	57 Å²	57	52.1 Å²	52.1	30%	0.298	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.4	-166.9	-52.3	-177.4	0	0	0	113.3	V294 P301 F302 E303	V294-L309 HydrophobicContact CG1-CB 3.98Å; V294-L309 HydrophobicContact CG1-CD1 4.08Å; P301-L309 HydrophobicContact CB-CD1 4.05Å; P301-L309 HydrophobicContact CB-CD2 3.73Å; P301-L309 HydrophobicContact CB-CG 4.4Å; P301-L309 HydrophobicContact CG-CD1 4.32Å; F302-L309 WeakPolarHBondContact O-CA 3.37Å; E303-L309 HydrophobicContact CB-CD2 3.9Å; E303-L309 HydrophobicContact CG-CD2 4.06Å
310	C	96.3	Very high	95.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.287	C	S	.	.			trans	-76.6	142	173.3	-55.3	0	0	0	0	111.6	I217 A249 I260 A295 F302	I217-C310 HydrophobicContact CD1-CB 3.78Å; A249-C310 CarbonylContact O-C 3.5Å; A249-C310 VanDerWaalsContact O-CA 3.28Å; A249-C310 WeakPolarHBondContact O-CA 3.4Å; I260-C310 VanDerWaalsContact CD1-SG 3.59Å; A295-C310 PolarHBondContact N-O 2.88Å; F302-C310 HydrophobicContact CB-CB 3.8Å; F302-C310 PolarHBondContact O-N 3.13Å
311	R	97.1	Very high	95	Very high	125 Å²	125	54 Å²	54	47%	0.472	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-146.3	152.8	-175.1	64.9	-173	72.3	-155.6	-1.3	113.7	A249 C293	A249-R311 PolarHBondContact N-O 2.97Å; A249-R311 PolarHBondContact O-N 3.44Å; C293-R311 CarbonylContact O-C 3.57Å; C293-R311 VanDerWaalsContact O-CA 3.28Å; C293-R311 WeakPolarHBondContact O-CA 3.48Å; C293-R311 WeakPolarHBondContact O-CB 3.49Å
312	A	96.7	Very high	95	Very high	4 Å²	4	54.3 Å²	54.3	3%	0.033	30%	0.302	C	S	.	.			trans	-73.9	172.9	160.2	0	0	0	0	0	110.5	A239 L248 T289 C293 M315	A239-A312 HydrophobicContact CB-CB 3.86Å; L248-A312 HydrophobicContact CD2-CB 4.04Å; T289-A312 HydrophobicContact CG2-CB 3.97Å; C293-A312 HydrophobicContact CB-CB 4.31Å; C293-A312 PolarHBondContact O-N 2.95Å; A312-M315 HydrophobicContact CB-CB 4.05Å
313	Q	93.9	Very high	94.9	Very high	113 Å²	113	57.2 Å²	57.2	53%	0.528	32%	0.318	S	S	.	.	S	Bend	trans	-89.8	-45.7	-175.9	-61.2	175	-31.6	0	0	111.2	E246	E246-Q313 WeakPolarHBondContact OE2-CA 3.29Å; E246-Q313 PolarHBondContact OE2-N 3.02Å
314	T	95	Very high	94.9	Very high	92 Å²	92	56.6 Å²	56.6	56%	0.564	32%	0.318	S	S	*	.	S	Bend	trans	-137.2	-5.3	175.5	79.6	0	0	0	0	113.6	K244 E246 S316	K244-T314 PolarHBondContact NZ-OG1 3.3Å; E246-T314 PolarHBondContact OE1-N 3.35Å; E246-T314 PolarHBondContact OE1-OG1 3.5Å; E246-T314 PolarHBondContact OE2-N 3.17Å; T314-S316 PolarHBondContact O-N 3.44Å
315	M	94.1	Very high	94.8	Very high	11 Å²	11	59.8 Å²	59.8	5%	0.054	34%	0.336	C	S	.	.			trans	-88.9	92.9	-175	-69	-176.4	73.6	0	0	112.5	A239 K244 E246 T289 A312	A239-M315 HydrophobicContact CB-CB 3.96Å; A239-M315 HydrophobicContact CB-SD 4.26Å; K244-M315 HydrophobicContact CB-CE 4.31Å; K244-M315 HydrophobicContact CB-SD 4.06Å; K244-M315 HydrophobicContact CD-CG 4.25Å; K244-M315 HydrophobicContact CD-SD 4.08Å; K244-M315 HydrophobicContact CG-SD 3.99Å; K244-M315 WeakPolarHBondContact O-CE 3.33Å; E246-M315 HydrophobicContact CB-CG 4.44Å; E246-M315 HydrophobicContact CB-SD 3.88Å; E246-M315 HydrophobicContact CG-CG 3.98Å; E246-M315 HydrophobicContact CG-SD 3.66Å; E246-M315 PolarHBondContact OE2-N 3.25Å; E246-M315 VanDerWaalsContact OE2-N 3.15Å; T289-M315 VanDerWaalsContact CB-O 3.29Å; T289-M315 WeakPolarHBondContact CB-O 3.46Å; T289-M315 PolarHBondContact OG1-O 3.11Å; A312-M315 HydrophobicContact CB-CB 4.05Å
316	S	95.3	Very high	95	Very high	50 Å²	50	56.4 Å²	56.4	35%	0.35	33%	0.326	S	S	.	.			trans	-81.2	158.4	165.6	54.6	0	0	0	0	111.7	N290 D291 C293 T314 S318	N290-S316 VanDerWaalsContact O-CA 3.26Å; N290-S316 WeakPolarHBondContact O-CA 3.46Å; N290-S316 VanDerWaalsContact O-CB 3.24Å; N290-S316 WeakPolarHBondContact O-CB 3.48Å; D291-S316 WeakPolarHBondContact O-CB 3.43Å; C293-S316 PolarHBondContact SG-N 3.05Å; C293-S316 VanDerWaalsContact SG-N 3.4Å; T314-S316 PolarHBondContact O-N 3.44Å; S316-S318 PolarHBondContact O-N 3.48Å; S316-S318 PolarHBondContact O-OG 3.17Å
317	N	94.4	Very high	95.2	Very high	98 Å²	98	54.7 Å²	54.7	52%	0.524	29%	0.291	S	S	.	.	S	Bend	trans	47.5	33.5	174.3	-61.2	-37	0	0	0	114.8	T289 N290 D291	T289-N317 WeakPolarHBondContact O-CA 3.31Å; T289-N317 PolarHBondContact O-N 3.09Å; T289-N317 VanDerWaalsContact O-N 3.14Å; T289-N317 PolarHBondContact OG1-N 3.34Å; N290-N317 PolarHBondContact O-N 3.28Å; D291-N317 PolarHBondContact N-OD1 3.19Å; D291-N317 PolarHBondContact OD1-ND2 3.12Å
318	S	95.7	Very high	95.3	Very high	17 Å²	17	53.1 Å²	53.1	12%	0.119	29%	0.287	C	S	.	.			trans	-112.5	138	-170.8	-67.6	0	0	0	0	111.1	H288 T289 S316	H288-S318 CarbonylContact C-O 3.57Å; H288-S318 VanDerWaalsContact CA-O 3.26Å; H288-S318 WeakPolarHBondContact CA-O 3.32Å; T289-S318 PolarHBondContact N-O 3.23Å; T289-S318 PolarHBondContact OG1-N 3.4Å; T289-S318 PolarHBondContact OG1-O 3.26Å; S316-S318 PolarHBondContact O-N 3.48Å; S316-S318 PolarHBondContact O-OG 3.17Å
319	G	96.1	Very high	95.3	Very high	28 Å²	28	55.2 Å²	55.2	29%	0.289	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	131.7	-178.6	0	0	0	0	0	112.1	S240	S240-G319 PolarHBondContact N-O 3.13Å; S240-G319 PolarHBondContact OG-O 3.33Å
320	I	96.7	Very high	95.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	137.6	179.3	-63.8	165.8	0	0	0	109.4	M237 C238 L248 Q284 L287 T289 A295	M237-I320 HydrophobicContact CE-CG2 3.74Å; C238-I320 CarbonylContact O-C 3.51Å; C238-I320 VanDerWaalsContact O-CA 3.28Å; C238-I320 WeakPolarHBondContact O-CA 3.38Å; L248-I320 HydrophobicContact CD1-CD1 4.09Å; L248-I320 HydrophobicContact CD1-CG1 4.29Å; L248-I320 HydrophobicContact CD1-CG2 4.01Å; Q284-I320 PolarHBondContact NE2-O 2.88Å; L287-I320 HydrophobicContact CB-CB 4Å; L287-I320 PolarHBondContact O-N 3.38Å; T289-I320 HydrophobicContact CG2-CD1 4.44Å; T289-I320 HydrophobicContact CG2-CG1 4.47Å; A295-I320 HydrophobicContact CB-CD1 3.68Å
321	K	91.8	Very high	95.2	Very high	123 Å²	123	60.1 Å²	60.1	54%	0.535	32%	0.315	S	S	.	.			trans	-138.1	0	178.1	-68.2	-179.3	-168.5	150	0	111.8	M235 C238 S240	M235-K321 WeakPolarHBondContact CE-OXT 3.39Å; C238-K321 PolarHBondContact N-O 3.01Å; C238-K321 PolarHBondContact O-N 2.95Å; S240-K321 VanDerWaalsContact OG-CD 3.31Å; S240-K321 WeakPolarHBondContact OG-CD 3.46Å; S240-K321 WeakPolarHBondContact OG-CG 3.24Å

Retrieved 321 of 321 residues in 196.3 ms (Link to these results)

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