A0A3Q0KNJ9_SCHMA Loading...

Methionine aminopeptidase

Cotranslationally removes the N-terminal methionine from nascent proteins. The N-terminal methionine is often cleaved when the second residue in the primary sequence is small and uncharged (Met-Ala-, Cys, Gly, Pro, Ser, Thr, or Val).

AlphaFold DB , UniProt , Accession A0A3Q0KNJ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 413 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	53.2	Low	77.2	Confident	240 Å²	240	83 Å²	83	100%	1.182	48%	0.479	S	S	*	.				0	133.8	0	-77.3	173.9	-172.1	0	0	107.4
2	E	74.5	Confident	78	Confident	153 Å²	153	86.9 Å²	86.9	72%	0.715	49%	0.486	S	S	*	.			trans	-68.5	140.2	169.5	-84.2	-178.1	161.7	0	0	109.7
3	N	81.5	Confident	78.7	Confident	76 Å²	76	86.2 Å²	86.2	41%	0.406	49%	0.488	S	S	.	.			trans	-77.3	135.6	173.8	-61.7	-55.2	0	0	0	109.1	P13 S14 F30	N3-P13 CarbonylContact O-C 3.54Å; N3-P13 WeakPolarHBondContact O-CA 3.4Å; N3-S14 WeakPolarHBondContact CB-O 3.33Å; N3-S14 PolarHBondContact O-N 3.36Å; N3-F30 HydrophobicContact CB-CB 4.41Å; N3-F30 HydrophobicContact CB-CD1 3.67Å; N3-F30 HydrophobicContact CB-CD2 3.66Å; N3-F30 HydrophobicContact CB-CE1 3.66Å; N3-F30 HydrophobicContact CB-CE2 3.65Å; N3-F30 HydrophobicContact CB-CG 3.66Å; N3-F30 HydrophobicContact CB-CZ 3.65Å; N3-F30 WeakPolarHBondContact ND2-CE1 3.19Å; N3-F30 WeakPolarHBondContact ND2-CZ 3.37Å; N3-F30 WeakPolarHBondContact OD1-CE2 3.4Å; N3-F30 WeakPolarHBondContact OD1-CZ 3.35Å
4	I	83.3	Confident	79.2	Confident	100 Å²	100	80.7 Å²	80.7	51%	0.513	46%	0.458	S	S	.	.	B	Isolated β-bridge	trans	-109	145	-175.8	-58.4	176.8	0	0	0	109.6	I6	I4-I6 PolarHBondContact O-N 2.8Å
5	C	84.4	Confident	79.5	Confident	7 Å²	7	83.7 Å²	83.7	5%	0.047	48%	0.478	C	S	.	.			trans	-56.2	127.9	173.7	-173.5	0	0	0	0	111.5	T7 C10 K12 F30 C32	C5-T7 VanDerWaalsContact C-N 3.31Å; C5-T7 PolarHBondContact O-N 3.43Å; C5-C10 HydrophobicContact CB-CB 4.07Å; C5-C10 VanDerWaalsContact SG-SG 3.69Å; C5-K12 WeakPolarHBondContact CB-O 3.38Å; C5-K12 PolarHBondContact N-O 3.45Å; C5-F30 CarbonylContact C-O 3.58Å; C5-F30 WeakPolarHBondContact CA-O 3.48Å; C5-C32 HydrophobicContact CB-CB 3.96Å; C5-C32 PolarHBondContact SG-N 3.09Å
6	I	82	Confident	80	Confident	45 Å²	45	84.6 Å²	84.6	23%	0.231	48%	0.48	C	S	.	.			trans	-79	-13.2	-177.2	73.6	169.8	0	0	0	113.8	I4 P8 T28 F30 F31 F40 H44	I4-I6 PolarHBondContact O-N 2.8Å; I6-P8 WeakPolarHBondContact O-CD 3.27Å; I6-T28 WeakPolarHBondContact CG2-O 3.29Å; I6-F30 WeakPolarHBondContact CG2-O 3.34Å; I6-F30 PolarHBondContact N-O 3.44Å; I6-F31 HydrophobicContact CD1-CE1 3.79Å; I6-F31 HydrophobicContact CD1-CE2 3.81Å; I6-F31 HydrophobicContact CD1-CZ 3.3Å; I6-F31 HydrophobicContact CG1-CD1 4.04Å; I6-F31 HydrophobicContact CG1-CE1 3.46Å; I6-F31 VanDerWaalsContact CG1-CE1 3.46Å; I6-F31 HydrophobicContact CG1-CE2 4.1Å; I6-F31 HydrophobicContact CG1-CZ 3.53Å; I6-F40 HydrophobicContact CD1-CD1 3.88Å; I6-F40 HydrophobicContact CD1-CE1 3.79Å; I6-F40 HydrophobicContact CG1-CD1 3.88Å; I6-F40 HydrophobicContact CG1-CE1 4Å; I6-H44 WeakPolarHBondContact CD1-ND1 3.47Å
7	T	81.9	Confident	80.3	Confident	8 Å²	8	84.8 Å²	84.8	5%	0.049	48%	0.475	C	S	.	.	S	Bend	trans	-62.5	124.1	178.4	-60.1	0	0	0	0	108.8	C5 S9 C10 C36 F40	C5-T7 VanDerWaalsContact C-N 3.31Å; C5-T7 PolarHBondContact O-N 3.43Å; T7-S9 PolarHBondContact O-N 3.48Å; T7-C10 VanDerWaalsContact O-CB 3.3Å; T7-C10 WeakPolarHBondContact O-CB 3.49Å; T7-C10 PolarHBondContact O-N 3.42Å; T7-C10 VanDerWaalsContact O-N 3.13Å; T7-C36 HydrophobicContact CG2-CB 4.33Å; T7-C36 WeakPolarHBondContact OG1-CB 3.39Å; T7-C36 PolarHBondContact OG1-O 2.92Å; T7-F40 HydrophobicContact CG2-CB 4.2Å
8	P	75.3	Confident	80.7	Confident	67 Å²	67	80.1 Å²	80.1	44%	0.435	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	142.4	178.1	-27.4	34	0	0	0	110.7	I6 C10 F40	I6-P8 WeakPolarHBondContact O-CD 3.27Å; P8-C10 VanDerWaalsContact C-N 3.25Å; P8-C10 PolarHBondContact O-N 3.15Å; P8-F40 VanDerWaalsContact CD-CE2 3.45Å; P8-F40 HydrophobicContact CG-CD2 4.08Å; P8-F40 HydrophobicContact CG-CE2 3.73Å; P8-F40 HydrophobicContact CG-CZ 4.44Å
9	S	74.3	Confident	80.8	Confident	131 Å²	131	81.1 Å²	81.1	92%	0.916	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	0.8	-177.8	71.8	0	0	0	0	117.8	T7	T7-S9 PolarHBondContact O-N 3.48Å
10	C	81.6	Confident	80.8	Confident	31 Å²	31	80.1 Å²	80.1	21%	0.209	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-59	-179.5	-173.4	0	0	0	0	113.7	C5 T7 P8 K12 C32	C5-C10 HydrophobicContact CB-CB 4.07Å; C5-C10 VanDerWaalsContact SG-SG 3.69Å; T7-C10 VanDerWaalsContact O-CB 3.3Å; T7-C10 WeakPolarHBondContact O-CB 3.49Å; T7-C10 PolarHBondContact O-N 3.42Å; T7-C10 VanDerWaalsContact O-N 3.13Å; P8-C10 VanDerWaalsContact C-N 3.25Å; P8-C10 PolarHBondContact O-N 3.15Å; C10-K12 PolarHBondContact O-N 3.11Å; C10-C32 PolarHBondContact SG-SG 2.98Å
11	G	77	Confident	80.8	Confident	55 Å²	55	76.2 Å²	76.2	57%	0.567	43%	0.432	S	S	*	.			trans	65.4	1.5	177.3	0	0	0	0	0	116.8
12	K	86.5	Confident	82.1	Confident	130 Å²	130	70.1 Å²	70.1	57%	0.565	40%	0.404	S	S	*	.			trans	-75.5	145.8	-178.6	-66.7	178.4	-176.9	176.3	0	112.1	C5 C10 C32	C5-K12 WeakPolarHBondContact CB-O 3.38Å; C5-K12 PolarHBondContact N-O 3.45Å; C10-K12 PolarHBondContact O-N 3.11Å; K12-C32 HydrophobicContact CB-CB 3.86Å
13	P	87.2	Confident	82	Confident	78 Å²	78	66.3 Å²	66.3	51%	0.506	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-54.9	145.8	167.5	-23.3	33.3	0	0	0	111.2	N3	N3-P13 CarbonylContact O-C 3.54Å; N3-P13 WeakPolarHBondContact O-CA 3.4Å
14	S	85.9	Confident	81.4	Confident	9 Å²	9	65.4 Å²	65.4	6%	0.063	40%	0.4	C	S	.	.			trans	-146.4	139.7	-175.2	175.8	0	0	0	0	112.2	N3 L16 F31 C32	N3-S14 WeakPolarHBondContact CB-O 3.33Å; N3-S14 PolarHBondContact O-N 3.36Å; S14-L16 PolarHBondContact OG-N 3.39Å; S14-F31 WeakPolarHBondContact OG-CA 3.39Å; S14-F31 PolarHBondContact OG-N 2.86Å; S14-F31 PolarHBondContact OG-O 2.83Å; S14-C32 PolarHBondContact OG-N 3.35Å
15	T	84.2	Confident	80.7	Confident	125 Å²	125	63.4 Å²	63.4	77%	0.767	41%	0.405	S	S	*	.			trans	-114.8	-12.3	172.5	55.4	0	0	0	0	112.7	K17	T15-K17 PolarHBondContact O-N 2.98Å
16	L	86.6	Confident	80	Confident	98 Å²	98	65 Å²	65	51%	0.513	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-85.1	118.3	-176.3	-52.9	169.4	0	0	0	109.8	S14 F30 F31	S14-L16 PolarHBondContact OG-N 3.39Å; L16-F30 CarbonylContact O-C 3.53Å; L16-F30 WeakPolarHBondContact O-CA 3.3Å; L16-F31 WeakPolarHBondContact CB-O 3.39Å; L16-F31 PolarHBondContact O-N 3Å
17	K	86.1	Confident	79.5	Confident	88 Å²	88	69.9 Å²	69.9	38%	0.383	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-92.7	148.5	176.9	-67.5	-176	175.8	-173.3	0	111.3	T15 L22 S29 F30	T15-K17 PolarHBondContact O-N 2.98Å; K17-L22 HydrophobicContact CB-CD1 3.88Å; K17-L22 HydrophobicContact CD-CD1 3.38Å; K17-L22 HydrophobicContact CG-CD1 4.25Å; K17-S29 VanDerWaalsContact CA-O 3.27Å; K17-S29 WeakPolarHBondContact CA-O 3.48Å; K17-F30 HydrophobicContact CD-CE1 4.05Å; K17-F30 HydrophobicContact CD-CZ 4.29Å; K17-F30 HydrophobicContact CG-CD1 3.83Å; K17-F30 HydrophobicContact CG-CE1 3.56Å; K17-F30 HydrophobicContact CG-CZ 4.17Å
18	C	86.1	Confident	79	Confident	1 Å²	1	74.2 Å²	74.2	1%	0.007	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-62.9	126.5	166.6	174	0	0	0	0	109.7	V20 C21 L22 S29 F31 F37 H44 H48	C18-V20 VanDerWaalsContact C-N 3.3Å; C18-V20 PolarHBondContact O-N 2.87Å; C18-C21 HydrophobicContact CB-CB 3.86Å; C18-C21 PolarHBondContact O-N 2.85Å; C18-L22 PolarHBondContact O-N 3.32Å; C18-S29 PolarHBondContact N-O 3.3Å; C18-S29 VanDerWaalsContact N-O 3.13Å; C18-F31 HydrophobicContact CB-CE2 4.02Å; C18-F37 HydrophobicContact CB-CE2 4Å; C18-H44 WeakPolarHBondContact CB-NE2 3.48Å; C18-H44 PolarHBondContact SG-NE2 3.36Å; C18-H48 PolarHBondContact SG-NE2 2.9Å; C18-H48 VanDerWaalsContact SG-NE2 3.44Å
19	P	83	Confident	79.3	Confident	98 Å²	98	71.2 Å²	71.2	64%	0.636	44%	0.441	S	S	*	.	H	α-helix	trans	-65.4	-33	-177.3	23.1	-32.1	0	0	0	112.9	L22 G23	P19-L22 WeakPolarHBondContact O-CB 3.02Å; P19-L22 PolarHBondContact O-N 3.2Å; P19-G23 PolarHBondContact O-N 3.09Å; P19-G23 VanDerWaalsContact O-N 3.11Å
20	V	80.7	Confident	80	Confident	61 Å²	61	65.6 Å²	65.6	37%	0.37	40%	0.4	S	S	.	.	H	α-helix	trans	-67.7	-46.5	176.5	-174.1	0	0	0	0	110.3	C18 L22 G23 L24 W41 H48	C18-V20 VanDerWaalsContact C-N 3.3Å; C18-V20 PolarHBondContact O-N 2.87Å; V20-L22 VanDerWaalsContact C-N 3.3Å; V20-L22 PolarHBondContact O-N 3.47Å; V20-G23 PolarHBondContact O-N 3.33Å; V20-G23 VanDerWaalsContact O-N 3.15Å; V20-L24 HydrophobicContact CG1-CD1 3.89Å; V20-L24 HydrophobicContact CG1-CG 4.43Å; V20-L24 WeakPolarHBondContact O-CB 3.35Å; V20-L24 VanDerWaalsContact O-CG 3.29Å; V20-L24 WeakPolarHBondContact O-CG 3.35Å; V20-L24 PolarHBondContact O-N 3.42Å; V20-W41 HydrophobicContact CG2-CH2 4.34Å; V20-H48 HydrophobicContact CG1-CB 3.81Å; V20-H48 VanDerWaalsContact CG1-CG 3.44Å
21	C	82.1	Confident	80.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-59.8	-39.9	174.4	-74.1	0	0	0	0	112.8	C18 G23 L24 G25 I26 S29 H44 H48	C18-C21 HydrophobicContact CB-CB 3.86Å; C18-C21 PolarHBondContact O-N 2.85Å; C21-G23 VanDerWaalsContact C-N 3.3Å; C21-G23 PolarHBondContact O-N 3.13Å; C21-L24 CarbonylContact O-C 3.47Å; C21-L24 PolarHBondContact O-N 2.95Å; C21-L24 VanDerWaalsContact O-N 3.09Å; C21-G25 PolarHBondContact O-N 3.39Å; C21-I26 HydrophobicContact CB-CB 3.78Å; C21-I26 HydrophobicContact CB-CG2 4.17Å; C21-I26 PolarHBondContact O-N 3.42Å; C21-S29 WeakPolarHBondContact CB-OG 3.48Å; C21-S29 VanDerWaalsContact SG-CB 3.57Å; C21-H44 PolarHBondContact SG-CE1 3.39Å; C21-H44 PolarHBondContact SG-NE2 3.48Å; C21-H48 PolarHBondContact SG-CD2 3.2Å; C21-H48 PolarHBondContact SG-NE2 2.83Å
22	L	80.3	Confident	81.1	Confident	112 Å²	112	63.4 Å²	63.4	59%	0.586	38%	0.375	S	S	*	.	H	α-helix	trans	-58.6	-43.8	175.3	-154.1	99.3	0	0	0	111.2	K17 C18 P19 V20 L24 G25	K17-L22 HydrophobicContact CB-CD1 3.88Å; K17-L22 HydrophobicContact CD-CD1 3.38Å; K17-L22 HydrophobicContact CG-CD1 4.25Å; C18-L22 PolarHBondContact O-N 3.32Å; P19-L22 WeakPolarHBondContact O-CB 3.02Å; P19-L22 PolarHBondContact O-N 3.2Å; V20-L22 VanDerWaalsContact C-N 3.3Å; V20-L22 PolarHBondContact O-N 3.47Å; L22-L24 VanDerWaalsContact C-N 3.28Å; L22-L24 PolarHBondContact O-N 3.3Å; L22-G25 PolarHBondContact O-N 3.34Å
23	G	71.4	Confident	81.3	Confident	72 Å²	72	59 Å²	59	74%	0.742	36%	0.361	S	S	*	.	H	α-helix	trans	-68.2	-26.2	175.8	0	0	0	0	0	114	P19 V20 C21	P19-G23 PolarHBondContact O-N 3.09Å; P19-G23 VanDerWaalsContact O-N 3.11Å; V20-G23 PolarHBondContact O-N 3.33Å; V20-G23 VanDerWaalsContact O-N 3.15Å; C21-G23 VanDerWaalsContact C-N 3.3Å; C21-G23 PolarHBondContact O-N 3.13Å
24	L	69.4	Low	81.4	Confident	58 Å²	58	61.7 Å²	61.7	30%	0.304	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.3	177.9	-69.1	175.7	0	0	0	113.9	V20 C21 L22 I26 H48	V20-L24 HydrophobicContact CG1-CD1 3.89Å; V20-L24 HydrophobicContact CG1-CG 4.43Å; V20-L24 WeakPolarHBondContact O-CB 3.35Å; V20-L24 VanDerWaalsContact O-CG 3.29Å; V20-L24 WeakPolarHBondContact O-CG 3.35Å; V20-L24 PolarHBondContact O-N 3.42Å; C21-L24 CarbonylContact O-C 3.47Å; C21-L24 PolarHBondContact O-N 2.95Å; C21-L24 VanDerWaalsContact O-N 3.09Å; L22-L24 VanDerWaalsContact C-N 3.28Å; L22-L24 PolarHBondContact O-N 3.3Å; L24-I26 VanDerWaalsContact C-N 3.28Å; L24-I26 HydrophobicContact CB-CD1 4.05Å; L24-I26 HydrophobicContact CB-CG1 4.12Å; L24-I26 HydrophobicContact CD1-CD1 4.19Å; L24-I26 PolarHBondContact O-N 3.29Å; L24-H48 HydrophobicContact CD1-CB 3.89Å; L24-H48 WeakPolarHBondContact CD1-O 2.93Å
25	G	69.5	Low	81.5	Confident	58 Å²	58	68.9 Å²	68.9	60%	0.598	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	17.3	-176.2	0	0	0	0	0	114.7	C21 L22 E27	C21-G25 PolarHBondContact O-N 3.39Å; L22-G25 PolarHBondContact O-N 3.34Å; G25-E27 PolarHBondContact O-N 3.37Å
26	I	68.9	Low	81.8	Confident	40 Å²	40	63.9 Å²	63.9	21%	0.205	37%	0.37	C	S	.	.			trans	-83.6	108.3	176.3	-59.7	169.6	0	0	0	108.4	C21 L24 V47	C21-I26 HydrophobicContact CB-CB 3.78Å; C21-I26 HydrophobicContact CB-CG2 4.17Å; C21-I26 PolarHBondContact O-N 3.42Å; L24-I26 VanDerWaalsContact C-N 3.28Å; L24-I26 HydrophobicContact CB-CD1 4.05Å; L24-I26 HydrophobicContact CB-CG1 4.12Å; L24-I26 HydrophobicContact CD1-CD1 4.19Å; L24-I26 PolarHBondContact O-N 3.29Å; I26-V47 HydrophobicContact CD1-CG2 4.2Å; I26-V47 WeakPolarHBondContact CD1-O 3.23Å
27	E	70.7	Confident	81.9	Confident	147 Å²	147	61.5 Å²	61.5	69%	0.687	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-16.1	-171.8	-63.3	-163.3	157.6	0	0	115	G25 F30	G25-E27 PolarHBondContact O-N 3.37Å; E27-F30 WeakPolarHBondContact O-CE2 3.3Å; E27-F30 WeakPolarHBondContact O-CZ 3.34Å
28	T	72.4	Confident	81.9	Confident	100 Å²	100	63.9 Å²	63.9	61%	0.613	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	5.4	-169.3	53.5	0	0	0	0	115	I6 F30	I6-T28 WeakPolarHBondContact CG2-O 3.29Å; T28-F30 PolarHBondContact O-N 3.44Å
29	S	82	Confident	81.8	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.021	40%	0.4	C	S	.	.			trans	-93.1	85.4	-173.3	62.1	0	0	0	0	113.4	K17 C18 C21	K17-S29 VanDerWaalsContact CA-O 3.27Å; K17-S29 WeakPolarHBondContact CA-O 3.48Å; C18-S29 PolarHBondContact N-O 3.3Å; C18-S29 VanDerWaalsContact N-O 3.13Å; C21-S29 WeakPolarHBondContact CB-OG 3.48Å; C21-S29 VanDerWaalsContact SG-CB 3.57Å
30	F	88.2	Confident	81.9	Confident	13 Å²	13	67.7 Å²	67.7	6%	0.057	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-112.5	142.1	-178.7	-65	-89.7	0	0	0	113.4	N3 C5 I6 L16 K17 E27 T28	N3-F30 HydrophobicContact CB-CB 4.41Å; N3-F30 HydrophobicContact CB-CD1 3.67Å; N3-F30 HydrophobicContact CB-CD2 3.66Å; N3-F30 HydrophobicContact CB-CE1 3.66Å; N3-F30 HydrophobicContact CB-CE2 3.65Å; N3-F30 HydrophobicContact CB-CG 3.66Å; N3-F30 HydrophobicContact CB-CZ 3.65Å; N3-F30 WeakPolarHBondContact ND2-CE1 3.19Å; N3-F30 WeakPolarHBondContact ND2-CZ 3.37Å; N3-F30 WeakPolarHBondContact OD1-CE2 3.4Å; N3-F30 WeakPolarHBondContact OD1-CZ 3.35Å; C5-F30 CarbonylContact C-O 3.58Å; C5-F30 WeakPolarHBondContact CA-O 3.48Å; I6-F30 WeakPolarHBondContact CG2-O 3.34Å; I6-F30 PolarHBondContact N-O 3.44Å; L16-F30 CarbonylContact O-C 3.53Å; L16-F30 WeakPolarHBondContact O-CA 3.3Å; K17-F30 HydrophobicContact CD-CE1 4.05Å; K17-F30 HydrophobicContact CD-CZ 4.29Å; K17-F30 HydrophobicContact CG-CD1 3.83Å; K17-F30 HydrophobicContact CG-CE1 3.56Å; K17-F30 HydrophobicContact CG-CZ 4.17Å; E27-F30 WeakPolarHBondContact O-CE2 3.3Å; E27-F30 WeakPolarHBondContact O-CZ 3.34Å; T28-F30 PolarHBondContact O-N 3.44Å
31	F	91.4	Very high	82.1	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.018	37%	0.372	C	S	.	.			trans	-135.7	122.2	179.1	-64.1	-87.6	0	0	0	111.7	I6 S14 L16 C18 S33 F37 F40 H44	I6-F31 HydrophobicContact CD1-CE1 3.79Å; I6-F31 HydrophobicContact CD1-CE2 3.81Å; I6-F31 HydrophobicContact CD1-CZ 3.3Å; I6-F31 HydrophobicContact CG1-CD1 4.04Å; I6-F31 HydrophobicContact CG1-CE1 3.46Å; I6-F31 VanDerWaalsContact CG1-CE1 3.46Å; I6-F31 HydrophobicContact CG1-CE2 4.1Å; I6-F31 HydrophobicContact CG1-CZ 3.53Å; S14-F31 WeakPolarHBondContact OG-CA 3.39Å; S14-F31 PolarHBondContact OG-N 2.86Å; S14-F31 PolarHBondContact OG-O 2.83Å; L16-F31 WeakPolarHBondContact CB-O 3.39Å; L16-F31 PolarHBondContact O-N 3Å; C18-F31 HydrophobicContact CB-CE2 4.02Å; F31-S33 PolarHBondContact O-N 3.08Å; F31-F37 HydrophobicContact CB-CB 4.12Å; F31-F37 VanDerWaalsContact CD1-CA 3.45Å; F31-F37 HydrophobicContact CD1-CB 3.97Å; F31-F37 HydrophobicContact CD1-CD2 4.12Å; F31-F37 AromaticContact CD2-CD2 3.57Å; F31-F37 HydrophobicContact CD2-CD2 3.57Å; F31-F37 HydrophobicContact CD2-CE2 4.3Å; F31-F37 HydrophobicContact CE1-CB 4.46Å; F31-F37 HydrophobicContact CE1-CD2 4.05Å; F31-F37 AromaticContact CE2-CD2 3.52Å; F31-F37 HydrophobicContact CE2-CD2 3.52Å; F31-F37 AromaticContact CE2-CE2 3.97Å; F31-F37 HydrophobicContact CE2-CE2 3.97Å; F31-F37 HydrophobicContact CG-CB 3.94Å; F31-F37 AromaticContact CG-CD2 3.85Å; F31-F37 HydrophobicContact CG-CD2 3.85Å; F31-F37 HydrophobicContact CG-CG 4.41Å; F31-F37 AromaticContact CZ-CD2 3.73Å; F31-F37 HydrophobicContact CZ-CD2 3.73Å; F31-F37 HydrophobicContact CZ-CE2 4.3Å; F31-F40 HydrophobicContact CE1-CB 4.15Å; F31-F40 HydrophobicContact CE1-CD1 4.02Å; F31-F40 HydrophobicContact CZ-CD1 4.35Å; F31-H44 AromaticContact CE2-CD2 3.95Å; F31-H44 AromaticContact CE2-NE2 3.8Å; F31-H44 HydrophobicContact CZ-CB 4.15Å; F31-H44 AromaticContact CZ-CD2 3.68Å; F31-H44 AromaticContact CZ-CG 3.63Å; F31-H44 AromaticContact CZ-ND1 3.89Å; F31-H44 AromaticContact CZ-NE2 3.96Å
32	C	91.2	Very high	81.8	Confident	36 Å²	36	77.1 Å²	77.1	24%	0.243	41%	0.408	C	S	.	.	S	Bend	trans	-68.7	-18.9	-176.2	69.8	0	0	0	0	113.4	C5 C10 K12 S14 C36	C5-C32 HydrophobicContact CB-CB 3.96Å; C5-C32 PolarHBondContact SG-N 3.09Å; C10-C32 PolarHBondContact SG-SG 2.98Å; K12-C32 HydrophobicContact CB-CB 3.86Å; S14-C32 PolarHBondContact OG-N 3.35Å; C32-C36 VanDerWaalsContact SG-SG 3.67Å
33	S	90.1	Very high	81.6	Confident	38 Å²	38	74.5 Å²	74.5	27%	0.266	40%	0.397	S	S	.	.	S	Bend	trans	-154.5	162	179.9	73.1	0	0	0	0	111.8	F31 E35 C36 F37	F31-S33 PolarHBondContact O-N 3.08Å; S33-E35 PolarHBondContact O-N 3.25Å; S33-E35 PolarHBondContact OG-N 2.75Å; S33-C36 PolarHBondContact O-N 2.69Å; S33-C36 PolarHBondContact OG-N 3Å; S33-F37 PolarHBondContact O-N 2.83Å; S33-F37 VanDerWaalsContact O-N 3.09Å
34	Q	88.2	Confident	82.1	Confident	135 Å²	135	71.3 Å²	71.3	63%	0.631	36%	0.362	S	S	*	.	H	α-helix	trans	-63.9	-28.2	174.2	-161.5	-178.3	24.9	0	0	112.4	F37 K38	Q34-F37 PolarHBondContact O-N 2.85Å; Q34-K38 WeakPolarHBondContact O-CB 3.47Å; Q34-K38 WeakPolarHBondContact O-CG 3.42Å; Q34-K38 PolarHBondContact O-N 3.46Å
35	E	88.7	Confident	82.6	Confident	159 Å²	159	73.5 Å²	73.5	74%	0.743	37%	0.37	S	S	*	.	H	α-helix	trans	-66.3	-48.1	174.9	-172	-177.4	176.8	0	0	111.2	S33 F37 K38 H39	S33-E35 PolarHBondContact O-N 3.25Å; S33-E35 PolarHBondContact OG-N 2.75Å; E35-F37 VanDerWaalsContact C-N 3.3Å; E35-F37 PolarHBondContact O-N 3.25Å; E35-K38 PolarHBondContact O-N 3.39Å; E35-H39 VanDerWaalsContact O-CB 3.3Å; E35-H39 WeakPolarHBondContact O-CB 3.5Å; E35-H39 PolarHBondContact O-N 3.5Å
36	C	90.8	Very high	82.7	Confident	21 Å²	21	73.4 Å²	73.4	14%	0.142	36%	0.357	C	S	.	.	H	α-helix	trans	-58.7	-42.3	174.3	-83.2	0	0	0	0	111.9	T7 C32 S33 H39 F40	T7-C36 HydrophobicContact CG2-CB 4.33Å; T7-C36 WeakPolarHBondContact OG1-CB 3.39Å; T7-C36 PolarHBondContact OG1-O 2.92Å; C32-C36 VanDerWaalsContact SG-SG 3.67Å; S33-C36 PolarHBondContact O-N 2.69Å; S33-C36 PolarHBondContact OG-N 3Å; C36-H39 PolarHBondContact O-N 3.05Å; C36-F40 WeakPolarHBondContact O-CB 3.33Å; C36-F40 PolarHBondContact O-N 3.49Å
37	F	87.7	Confident	82.6	Confident	47 Å²	47	72.9 Å²	72.9	21%	0.206	36%	0.356	C	S	.	.	H	α-helix	trans	-60	-50.2	175.3	-179.8	-106.1	0	0	0	112.2	C18 F31 S33 Q34 E35 F40 W41	C18-F37 HydrophobicContact CB-CE2 4Å; F31-F37 HydrophobicContact CB-CB 4.12Å; F31-F37 VanDerWaalsContact CD1-CA 3.45Å; F31-F37 HydrophobicContact CD1-CB 3.97Å; F31-F37 HydrophobicContact CD1-CD2 4.12Å; F31-F37 AromaticContact CD2-CD2 3.57Å; F31-F37 HydrophobicContact CD2-CD2 3.57Å; F31-F37 HydrophobicContact CD2-CE2 4.3Å; F31-F37 HydrophobicContact CE1-CB 4.46Å; F31-F37 HydrophobicContact CE1-CD2 4.05Å; F31-F37 AromaticContact CE2-CD2 3.52Å; F31-F37 HydrophobicContact CE2-CD2 3.52Å; F31-F37 AromaticContact CE2-CE2 3.97Å; F31-F37 HydrophobicContact CE2-CE2 3.97Å; F31-F37 HydrophobicContact CG-CB 3.94Å; F31-F37 AromaticContact CG-CD2 3.85Å; F31-F37 HydrophobicContact CG-CD2 3.85Å; F31-F37 HydrophobicContact CG-CG 4.41Å; F31-F37 AromaticContact CZ-CD2 3.73Å; F31-F37 HydrophobicContact CZ-CD2 3.73Å; F31-F37 HydrophobicContact CZ-CE2 4.3Å; S33-F37 PolarHBondContact O-N 2.83Å; S33-F37 VanDerWaalsContact O-N 3.09Å; Q34-F37 PolarHBondContact O-N 2.85Å; E35-F37 VanDerWaalsContact C-N 3.3Å; E35-F37 PolarHBondContact O-N 3.25Å; F37-F40 PolarHBondContact O-N 2.94Å; F37-W41 HydrophobicContact CD2-CE3 4.44Å; F37-W41 HydrophobicContact CE1-CD2 4.49Å; F37-W41 AromaticContact CE1-CE3 3.81Å; F37-W41 HydrophobicContact CE1-CE3 3.81Å; F37-W41 HydrophobicContact CE1-CZ3 4.05Å; F37-W41 AromaticContact CE2-CE3 3.62Å; F37-W41 HydrophobicContact CE2-CE3 3.62Å; F37-W41 AromaticContact CE2-CZ3 3.63Å; F37-W41 HydrophobicContact CE2-CZ3 3.63Å; F37-W41 HydrophobicContact CZ-CD2 4.31Å; F37-W41 AromaticContact CZ-CE3 3.26Å; F37-W41 HydrophobicContact CZ-CE3 3.26Å; F37-W41 HydrophobicContact CZ-CH2 4.17Å; F37-W41 AromaticContact CZ-CZ3 3.17Å; F37-W41 HydrophobicContact CZ-CZ3 3.17Å; F37-W41 WeakPolarHBondContact O-CA 3.26Å; F37-W41 WeakPolarHBondContact O-CB 3.16Å; F37-W41 PolarHBondContact O-N 3.23Å
38	K	86.6	Confident	82.8	Confident	139 Å²	139	67.3 Å²	67.3	60%	0.604	33%	0.33	S	S	*	.	H	α-helix	trans	-64.1	-42.1	178.8	-75.2	176	179.7	176.2	0	112.1	Q34 E35 F40 W41	Q34-K38 WeakPolarHBondContact O-CB 3.47Å; Q34-K38 WeakPolarHBondContact O-CG 3.42Å; Q34-K38 PolarHBondContact O-N 3.46Å; E35-K38 PolarHBondContact O-N 3.39Å; K38-F40 VanDerWaalsContact C-N 3.32Å; K38-F40 PolarHBondContact O-N 2.89Å; K38-W41 WeakPolarHBondContact O-CB 3.4Å; K38-W41 PolarHBondContact O-N 2.79Å
39	H	84	Confident	82.2	Confident	156 Å²	156	68.1 Å²	68.1	72%	0.722	33%	0.334	S	S	*	.	H	α-helix	trans	-61	-42.4	179.6	-172.4	76.5	0	0	0	111.6	E35 C36	E35-H39 VanDerWaalsContact O-CB 3.3Å; E35-H39 WeakPolarHBondContact O-CB 3.5Å; E35-H39 PolarHBondContact O-N 3.5Å; C36-H39 PolarHBondContact O-N 3.05Å
40	F	85.3	Confident	80.9	Confident	22 Å²	22	70.3 Å²	70.3	10%	0.096	35%	0.347	C	S	.	.	H	α-helix	trans	-92.8	-3.6	-178.8	-163.5	-123.1	0	0	0	114.1	I6 T7 P8 F31 C36 F37 K38 K42 T43 H44	I6-F40 HydrophobicContact CD1-CD1 3.88Å; I6-F40 HydrophobicContact CD1-CE1 3.79Å; I6-F40 HydrophobicContact CG1-CD1 3.88Å; I6-F40 HydrophobicContact CG1-CE1 4Å; T7-F40 HydrophobicContact CG2-CB 4.2Å; P8-F40 VanDerWaalsContact CD-CE2 3.45Å; P8-F40 HydrophobicContact CG-CD2 4.08Å; P8-F40 HydrophobicContact CG-CE2 3.73Å; P8-F40 HydrophobicContact CG-CZ 4.44Å; F31-F40 HydrophobicContact CE1-CB 4.15Å; F31-F40 HydrophobicContact CE1-CD1 4.02Å; F31-F40 HydrophobicContact CZ-CD1 4.35Å; C36-F40 WeakPolarHBondContact O-CB 3.33Å; C36-F40 PolarHBondContact O-N 3.49Å; F37-F40 PolarHBondContact O-N 2.94Å; K38-F40 VanDerWaalsContact C-N 3.32Å; K38-F40 PolarHBondContact O-N 2.89Å; F40-K42 VanDerWaalsContact C-N 3.34Å; F40-K42 PolarHBondContact O-N 3.43Å; F40-T43 HydrophobicContact CE2-CG2 3.75Å; F40-T43 HydrophobicContact CZ-CG2 3.83Å; F40-T43 PolarHBondContact O-N 2.81Å; F40-T43 VanDerWaalsContact O-N 3.15Å; F40-H44 HydrophobicContact CD1-CB 3.83Å; F40-H44 HydrophobicContact CE1-CB 4.19Å; F40-H44 WeakPolarHBondContact O-CB 3.42Å; F40-H44 PolarHBondContact O-N 3.38Å
41	W	84.3	Confident	78.9	Confident	86 Å²	86	70.5 Å²	70.5	33%	0.326	35%	0.353	S	S	.	.	H	α-helix	trans	-55.6	-42.6	-171.9	178.4	-114.8	0	0	0	114.1	V20 F37 K38 T43 H44 K45 H48	V20-W41 HydrophobicContact CG2-CH2 4.34Å; F37-W41 HydrophobicContact CD2-CE3 4.44Å; F37-W41 HydrophobicContact CE1-CD2 4.49Å; F37-W41 AromaticContact CE1-CE3 3.81Å; F37-W41 HydrophobicContact CE1-CE3 3.81Å; F37-W41 HydrophobicContact CE1-CZ3 4.05Å; F37-W41 AromaticContact CE2-CE3 3.62Å; F37-W41 HydrophobicContact CE2-CE3 3.62Å; F37-W41 AromaticContact CE2-CZ3 3.63Å; F37-W41 HydrophobicContact CE2-CZ3 3.63Å; F37-W41 HydrophobicContact CZ-CD2 4.31Å; F37-W41 AromaticContact CZ-CE3 3.26Å; F37-W41 HydrophobicContact CZ-CE3 3.26Å; F37-W41 HydrophobicContact CZ-CH2 4.17Å; F37-W41 AromaticContact CZ-CZ3 3.17Å; F37-W41 HydrophobicContact CZ-CZ3 3.17Å; F37-W41 WeakPolarHBondContact O-CA 3.26Å; F37-W41 WeakPolarHBondContact O-CB 3.16Å; F37-W41 PolarHBondContact O-N 3.23Å; K38-W41 WeakPolarHBondContact O-CB 3.4Å; K38-W41 PolarHBondContact O-N 2.79Å; W41-T43 VanDerWaalsContact C-N 3.26Å; W41-T43 PolarHBondContact O-N 2.9Å; W41-H44 AromaticContact CZ3-CD2 3.99Å; W41-H44 PolarHBondContact O-N 3.32Å; W41-K45 HydrophobicContact CD2-CB 4.37Å; W41-K45 HydrophobicContact CH2-CB 4.35Å; W41-K45 HydrophobicContact CZ2-CB 4.05Å; W41-K45 WeakPolarHBondContact O-CB 3.47Å; W41-K45 WeakPolarHBondContact O-CG 3.48Å; W41-K45 PolarHBondContact O-N 3.22Å; W41-H48 AromaticContact CH2-CE1 3.4Å; W41-H48 VanDerWaalsContact CH2-CE1 3.4Å; W41-H48 WeakPolarHBondContact CH2-CE1 3.35Å; W41-H48 AromaticContact CH2-ND1 3.77Å; W41-H48 AromaticContact CZ3-CE1 3.42Å; W41-H48 VanDerWaalsContact CZ3-CE1 3.42Å; W41-H48 WeakPolarHBondContact CZ3-CE1 3.22Å
42	K	77.6	Confident	76.8	Confident	174 Å²	174	74.4 Å²	74.4	76%	0.757	38%	0.377	S	S	*	.	H	α-helix	trans	-58.9	-39	-178.2	-75.3	-173.4	179	-179.9	0	112.2	F40	F40-K42 VanDerWaalsContact C-N 3.34Å; F40-K42 PolarHBondContact O-N 3.43Å
43	T	75	Confident	74.8	Confident	57 Å²	57	81.9 Å²	81.9	35%	0.35	41%	0.406	S	S	.	.	H	α-helix	trans	-81.2	-44.4	175.3	-50	0	0	0	0	110.4	F40 W41 K45 T46	F40-T43 HydrophobicContact CE2-CG2 3.75Å; F40-T43 HydrophobicContact CZ-CG2 3.83Å; F40-T43 PolarHBondContact O-N 2.81Å; F40-T43 VanDerWaalsContact O-N 3.15Å; W41-T43 VanDerWaalsContact C-N 3.26Å; W41-T43 PolarHBondContact O-N 2.9Å; T43-K45 PolarHBondContact O-N 3.17Å; T43-T46 PolarHBondContact O-N 3.27Å; T43-T46 PolarHBondContact O-OG1 3.09Å
44	H	82.2	Confident	72.8	Confident	5 Å²	5	83.6 Å²	83.6	2%	0.023	41%	0.412	C	S	.	.	H	α-helix	trans	-61	-41.4	-175.8	179	57	0	0	0	113.3	I6 C18 C21 F31 F40 W41 T46 V47 H48	I6-H44 WeakPolarHBondContact CD1-ND1 3.47Å; C18-H44 WeakPolarHBondContact CB-NE2 3.48Å; C18-H44 PolarHBondContact SG-NE2 3.36Å; C21-H44 PolarHBondContact SG-CE1 3.39Å; C21-H44 PolarHBondContact SG-NE2 3.48Å; F31-H44 AromaticContact CE2-CD2 3.95Å; F31-H44 AromaticContact CE2-NE2 3.8Å; F31-H44 HydrophobicContact CZ-CB 4.15Å; F31-H44 AromaticContact CZ-CD2 3.68Å; F31-H44 AromaticContact CZ-CG 3.63Å; F31-H44 AromaticContact CZ-ND1 3.89Å; F31-H44 AromaticContact CZ-NE2 3.96Å; F40-H44 HydrophobicContact CD1-CB 3.83Å; F40-H44 HydrophobicContact CE1-CB 4.19Å; F40-H44 WeakPolarHBondContact O-CB 3.42Å; F40-H44 PolarHBondContact O-N 3.38Å; W41-H44 AromaticContact CZ3-CD2 3.99Å; W41-H44 PolarHBondContact O-N 3.32Å; H44-T46 PolarHBondContact O-N 3.3Å; H44-V47 WeakPolarHBondContact O-CG2 3.35Å; H44-V47 PolarHBondContact O-N 3.45Å; H44-H48 AromaticContact CD2-CE1 3.84Å; H44-H48 AromaticContact CD2-NE2 3.56Å; H44-H48 AromaticContact CE1-NE2 3.86Å; H44-H48 AromaticContact NE2-CE1 3.87Å; H44-H48 AromaticContact NE2-NE2 3.17Å; H44-H48 PolarHBondContact NE2-NE2 2.64Å; H44-H48 VanDerWaalsContact NE2-NE2 3.17Å
45	K	80.1	Confident	71.2	Confident	104 Å²	104	82 Å²	82	45%	0.452	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-61	-17.9	-176.4	70.7	178.6	-175.7	167.1	0	114.3	W41 T43 V47 H48	W41-K45 HydrophobicContact CD2-CB 4.37Å; W41-K45 HydrophobicContact CH2-CB 4.35Å; W41-K45 HydrophobicContact CZ2-CB 4.05Å; W41-K45 WeakPolarHBondContact O-CB 3.47Å; W41-K45 WeakPolarHBondContact O-CG 3.48Å; W41-K45 PolarHBondContact O-N 3.22Å; T43-K45 PolarHBondContact O-N 3.17Å; K45-V47 PolarHBondContact O-N 3Å; K45-H48 WeakPolarHBondContact O-CB 3.2Å; K45-H48 PolarHBondContact O-N 3.4Å; K45-H48 VanDerWaalsContact O-N 3.09Å
46	T	71.5	Confident	69.9	Low	55 Å²	55	76 Å²	76	34%	0.337	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-64.1	-28.8	176.2	63.1	0	0	0	0	111.4	T43 H44 H48 V49	T43-T46 PolarHBondContact O-N 3.27Å; T43-T46 PolarHBondContact O-OG1 3.09Å; H44-T46 PolarHBondContact O-N 3.3Å; T46-H48 PolarHBondContact O-N 3.26Å; T46-V49 PolarHBondContact O-N 3.16Å
47	V	67.5	Low	68.7	Low	30 Å²	30	83.4 Å²	83.4	18%	0.182	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-70.3	-18.1	175.9	-45	0	0	0	0	112.6	I26 H44 K45 V49 V50	I26-V47 HydrophobicContact CD1-CG2 4.2Å; I26-V47 WeakPolarHBondContact CD1-O 3.23Å; H44-V47 WeakPolarHBondContact O-CG2 3.35Å; H44-V47 PolarHBondContact O-N 3.45Å; K45-V47 PolarHBondContact O-N 3Å; V47-V49 VanDerWaalsContact C-N 3.31Å; V47-V50 PolarHBondContact O-N 3.05Å
48	H	73.4	Confident	68.4	Low	29 Å²	29	82.6 Å²	82.6	13%	0.134	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-75	-24.3	-179.1	-57.5	161.7	0	0	0	112.9	C18 V20 C21 L24 W41 H44 K45 T46 V50	C18-H48 PolarHBondContact SG-NE2 2.9Å; C18-H48 VanDerWaalsContact SG-NE2 3.44Å; V20-H48 HydrophobicContact CG1-CB 3.81Å; V20-H48 VanDerWaalsContact CG1-CG 3.44Å; C21-H48 PolarHBondContact SG-CD2 3.2Å; C21-H48 PolarHBondContact SG-NE2 2.83Å; L24-H48 HydrophobicContact CD1-CB 3.89Å; L24-H48 WeakPolarHBondContact CD1-O 2.93Å; W41-H48 AromaticContact CH2-CE1 3.4Å; W41-H48 VanDerWaalsContact CH2-CE1 3.4Å; W41-H48 WeakPolarHBondContact CH2-CE1 3.35Å; W41-H48 AromaticContact CH2-ND1 3.77Å; W41-H48 AromaticContact CZ3-CE1 3.42Å; W41-H48 VanDerWaalsContact CZ3-CE1 3.42Å; W41-H48 WeakPolarHBondContact CZ3-CE1 3.22Å; H44-H48 AromaticContact CD2-CE1 3.84Å; H44-H48 AromaticContact CD2-NE2 3.56Å; H44-H48 AromaticContact CE1-NE2 3.86Å; H44-H48 AromaticContact NE2-CE1 3.87Å; H44-H48 AromaticContact NE2-NE2 3.17Å; H44-H48 PolarHBondContact NE2-NE2 2.64Å; H44-H48 VanDerWaalsContact NE2-NE2 3.17Å; K45-H48 WeakPolarHBondContact O-CB 3.2Å; K45-H48 PolarHBondContact O-N 3.4Å; K45-H48 VanDerWaalsContact O-N 3.09Å; T46-H48 PolarHBondContact O-N 3.26Å; H48-V50 PolarHBondContact O-N 3.23Å
49	V	60.5	Low	68.3	Low	117 Å²	117	81.4 Å²	81.4	71%	0.709	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-66.6	-17.3	174.6	-171.7	0	0	0	0	110.9	T46 V47	T46-V49 PolarHBondContact O-N 3.16Å; V47-V49 VanDerWaalsContact C-N 3.31Å
50	V	54.1	Low	68.6	Low	49 Å²	49	79.6 Å²	79.6	30%	0.297	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-108.2	-6.2	-166.7	-161.7	0	0	0	0	112.9	V47 H48 T52 P190	V47-V50 PolarHBondContact O-N 3.05Å; H48-V50 PolarHBondContact O-N 3.23Å; V50-T52 PolarHBondContact O-N 2.89Å; V50-T52 VanDerWaalsContact O-N 3.16Å; V50-P190 HydrophobicContact CB-CG 3.64Å; V50-P190 VanDerWaalsContact CG1-CD 3.5Å; V50-P190 HydrophobicContact CG1-CG 3.11Å; V50-P190 HydrophobicContact CG2-CB 4.27Å; V50-P190 HydrophobicContact CG2-CG 3.35Å
51	G	47.6	Very low	69	Low	17 Å²	17	79.4 Å²	79.4	18%	0.175	40%	0.4	C	S	.	.			trans	-68.9	-8	176.3	0	0	0	0	0	114.4	K53	G51-K53 PolarHBondContact O-N 2.91Å
52	T	46.9	Very low	69.2	Low	86 Å²	86	84.4 Å²	84.4	53%	0.528	42%	0.418	S	S	.	.	S	Bend	trans	-64	119.1	162	46.7	0	0	0	0	107.3	V50 D54	V50-T52 PolarHBondContact O-N 2.89Å; V50-T52 VanDerWaalsContact O-N 3.16Å; T52-D54 PolarHBondContact O-N 2.92Å
53	K	48.6	Very low	69.8	Low	193 Å²	193	79.7 Å²	79.7	84%	0.839	42%	0.419	S	S	*	.			trans	-57.2	71.6	172.1	-68.1	175.9	174.7	178.4	0	110.9	G51 T55	G51-K53 PolarHBondContact O-N 2.91Å; K53-T55 PolarHBondContact O-N 3.05Å
54	D	49	Very low	70.7	Confident	74 Å²	74	79.4 Å²	79.4	40%	0.396	41%	0.412	S	S	.	.			trans	-73.6	62.7	165	-99.8	-17.8	0	0	0	106.6	T52 C56 K74	T52-D54 PolarHBondContact O-N 2.92Å; D54-C56 PolarHBondContact O-N 3.2Å; D54-K74 HydrophobicContact CB-CB 4.38Å
55	T	52.8	Low	71.3	Confident	102 Å²	102	87.9 Å²	87.9	63%	0.626	45%	0.449	S	S	*	.	B	Isolated β-bridge	trans	-59.3	124.2	165.1	46.5	0	0	0	0	106.5	K53 E57	K53-T55 PolarHBondContact O-N 3.05Å; T55-E57 PolarHBondContact O-N 3.05Å
56	C	61.4	Low	72.2	Confident	32 Å²	32	85.1 Å²	85.1	22%	0.216	44%	0.437	C	S	.	.			trans	-54.5	116.8	171.7	-167.7	0	0	0	0	108.9	D54 D58 P72 A73	D54-C56 PolarHBondContact O-N 3.2Å; C56-D58 PolarHBondContact O-N 2.93Å; C56-D58 WeakPolarHBondContact SG-CB 3.45Å; C56-P72 HydrophobicContact CB-CB 4.16Å; C56-P72 HydrophobicContact CB-CG 4.05Å; C56-P72 WeakPolarHBondContact CB-O 3.14Å; C56-A73 PolarHBondContact SG-O 3.24Å; C56-A73 VanDerWaalsContact SG-O 3.37Å
57	E	65.5	Low	73.4	Confident	177 Å²	177	84.2 Å²	84.2	83%	0.827	43%	0.431	S	S	*	.			trans	-77.9	14.6	174.3	-63.2	-178.1	162.6	0	0	111.8	T55 E59	T55-E57 PolarHBondContact O-N 3.05Å; E57-E59 VanDerWaalsContact C-N 3.35Å; E57-E59 PolarHBondContact O-N 3.24Å
58	D	81.6	Confident	74.7	Confident	30 Å²	30	83.1 Å²	83.1	16%	0.16	43%	0.427	C	S	.	.			trans	-72.6	92.3	178.6	-165.6	-20.2	0	0	0	109.6	C56 R60 F61 K75	C56-D58 PolarHBondContact O-N 2.93Å; C56-D58 WeakPolarHBondContact SG-CB 3.45Å; D58-R60 PolarHBondContact O-N 3.26Å; D58-R60 VanDerWaalsContact OD1-CB 3.27Å; D58-R60 WeakPolarHBondContact OD1-CB 3.49Å; D58-R60 VanDerWaalsContact OD1-CG 3.29Å; D58-R60 WeakPolarHBondContact OD1-CG 3.35Å; D58-R60 IonicContact OD1-CZ 3.35Å; D58-R60 PolarHBondContact OD1-N 3.13Å; D58-R60 IonicContact OD1-NE 3.15Å; D58-R60 PolarHBondContact OD1-NE 3.15Å; D58-R60 IonicContact OD1-NH2 2.79Å; D58-R60 IonicContact OD2-CZ 2.77Å; D58-R60 IonicContact OD2-NE 2.97Å; D58-R60 PolarHBondContact OD2-NE 2.77Å; D58-R60 IonicContact OD2-NH2 3.74Å; D58-R60 PolarHBondContact OD2-NH2 2.79Å; D58-F61 HydrophobicContact CB-CD2 3.94Å; D58-F61 HydrophobicContact CB-CE2 4.39Å; D58-F61 PolarHBondContact O-N 3.47Å; D58-K75 IonicContact OD2-NZ 3.66Å
59	E	85.4	Confident	75.7	Confident	115 Å²	115	89.9 Å²	89.9	54%	0.537	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-51.8	-20.8	-178.5	-70.4	-65.7	172	0	0	113.6	E57 F61 R62	E57-E59 VanDerWaalsContact C-N 3.35Å; E57-E59 PolarHBondContact O-N 3.24Å; E59-F61 PolarHBondContact O-N 2.83Å; E59-R62 WeakPolarHBondContact O-CB 3.24Å; E59-R62 PolarHBondContact O-N 2.76Å; E59-R62 IonicContact OE1-CZ 3.9Å; E59-R62 IonicContact OE1-NH2 2.83Å; E59-R62 PolarHBondContact OE1-NH2 3.49Å; E59-R62 IonicContact OE2-CZ 3.1Å; E59-R62 IonicContact OE2-NE 2.69Å; E59-R62 PolarHBondContact OE2-NE 2.91Å; E59-R62 IonicContact OE2-NH2 2.75Å; E59-R62 PolarHBondContact OE2-NH2 2.83Å
60	R	90.2	Very high	77.4	Confident	117 Å²	117	84.9 Å²	84.9	44%	0.442	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-60.3	-26.8	174.1	-61.2	-179.6	-70.6	175.1	-4.7	112.8	D58 P321 D322	D58-R60 PolarHBondContact O-N 3.26Å; D58-R60 VanDerWaalsContact OD1-CB 3.27Å; D58-R60 WeakPolarHBondContact OD1-CB 3.49Å; D58-R60 VanDerWaalsContact OD1-CG 3.29Å; D58-R60 WeakPolarHBondContact OD1-CG 3.35Å; D58-R60 IonicContact OD1-CZ 3.35Å; D58-R60 PolarHBondContact OD1-N 3.13Å; D58-R60 IonicContact OD1-NE 3.15Å; D58-R60 PolarHBondContact OD1-NE 3.15Å; D58-R60 IonicContact OD1-NH2 2.79Å; D58-R60 IonicContact OD2-CZ 2.77Å; D58-R60 IonicContact OD2-NE 2.97Å; D58-R60 PolarHBondContact OD2-NE 2.77Å; D58-R60 IonicContact OD2-NH2 3.74Å; D58-R60 PolarHBondContact OD2-NH2 2.79Å; R60-P321 HydrophobicContact CB-CB 3.77Å; R60-P321 WeakPolarHBondContact CD-O 3.48Å; R60-P321 VanDerWaalsContact O-CB 3.23Å; R60-P321 WeakPolarHBondContact O-CB 3.31Å; R60-P321 WeakPolarHBondContact O-CG 3.14Å; R60-D322 PolarHBondContact NH1-O 2.88Å
61	F	93	Very high	79.4	Confident	19 Å²	19	88.2 Å²	88.2	8%	0.083	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-87.2	-2.6	177.8	-71.3	-93.1	0	0	0	113.6	D58 E59 G63 Y64 F66 P72 W320 P321 D322	D58-F61 HydrophobicContact CB-CD2 3.94Å; D58-F61 HydrophobicContact CB-CE2 4.39Å; D58-F61 PolarHBondContact O-N 3.47Å; E59-F61 PolarHBondContact O-N 2.83Å; F61-G63 PolarHBondContact O-N 2.63Å; F61-G63 VanDerWaalsContact O-N 3.08Å; F61-Y64 HydrophobicContact CD1-CD1 4.01Å; F61-Y64 HydrophobicContact CD1-CG 4.49Å; F61-Y64 HydrophobicContact CE1-CD1 4.48Å; F61-Y64 WeakPolarHBondContact O-CB 3.2Å; F61-Y64 PolarHBondContact O-N 3.35Å; F61-F66 HydrophobicContact CB-CZ 4.4Å; F61-F66 AromaticContact CD1-CE1 3.73Å; F61-F66 HydrophobicContact CD1-CE1 3.73Å; F61-F66 AromaticContact CD1-CZ 3.46Å; F61-F66 HydrophobicContact CD1-CZ 3.46Å; F61-F66 VanDerWaalsContact CD1-CZ 3.46Å; F61-F66 AromaticContact CE1-CE1 3.91Å; F61-F66 HydrophobicContact CE1-CE1 3.91Å; F61-F66 HydrophobicContact CE1-CZ 4.1Å; F61-F66 HydrophobicContact CG-CZ 4.3Å; F61-P72 HydrophobicContact CD1-CG 3.89Å; F61-P72 HydrophobicContact CD2-CG 3.99Å; F61-P72 HydrophobicContact CE1-CG 3.83Å; F61-P72 HydrophobicContact CE2-CB 4.3Å; F61-P72 HydrophobicContact CE2-CG 3.96Å; F61-P72 HydrophobicContact CG-CG 3.94Å; F61-P72 HydrophobicContact CZ-CB 4.18Å; F61-P72 HydrophobicContact CZ-CG 3.87Å; F61-W320 HydrophobicContact CE1-CB 3.86Å; F61-W320 AromaticContact CE1-CD2 3.82Å; F61-W320 HydrophobicContact CE1-CD2 3.82Å; F61-W320 AromaticContact CE1-CE3 3.73Å; F61-W320 HydrophobicContact CE1-CE3 3.73Å; F61-W320 AromaticContact CE1-CG 3.92Å; F61-W320 HydrophobicContact CE1-CG 3.92Å; F61-W320 HydrophobicContact CZ-CB 4Å; F61-W320 HydrophobicContact CZ-CD2 4.28Å; F61-W320 AromaticContact CZ-CE3 3.83Å; F61-W320 HydrophobicContact CZ-CE3 3.83Å; F61-W320 HydrophobicContact CZ-CG 4.4Å; F61-P321 HydrophobicContact CD1-CB 4.48Å; F61-P321 HydrophobicContact CD1-CG 4Å; F61-P321 HydrophobicContact CD2-CB 4.46Å; F61-P321 HydrophobicContact CE1-CG 4.22Å; F61-P321 HydrophobicContact CE2-CB 4.49Å; F61-P321 HydrophobicContact CG-CB 4.47Å; F61-P321 HydrophobicContact CG-CG 4.34Å; F61-D322 HydrophobicContact CE2-CB 4.12Å; F61-D322 HydrophobicContact CZ-CB 4.06Å
62	R	89.3	Confident	81.6	Confident	190 Å²	190	88.3 Å²	88.3	72%	0.717	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	115.6	179.3	-175.1	-175.8	-69.9	-128.6	0.4	110.3	E59 Y64	E59-R62 WeakPolarHBondContact O-CB 3.24Å; E59-R62 PolarHBondContact O-N 2.76Å; E59-R62 IonicContact OE1-CZ 3.9Å; E59-R62 IonicContact OE1-NH2 2.83Å; E59-R62 PolarHBondContact OE1-NH2 3.49Å; E59-R62 IonicContact OE2-CZ 3.1Å; E59-R62 IonicContact OE2-NE 2.69Å; E59-R62 PolarHBondContact OE2-NE 2.91Å; E59-R62 IonicContact OE2-NH2 2.75Å; E59-R62 PolarHBondContact OE2-NH2 2.83Å; R62-Y64 PolarHBondContact O-N 3.46Å
63	G	89.9	Confident	83.9	Confident	75 Å²	75	84.8 Å²	84.8	77%	0.773	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	2	-179.1	0	0	0	0	0	114.9	F61	F61-G63 PolarHBondContact O-N 2.63Å; F61-G63 VanDerWaalsContact O-N 3.08Å
64	Y	93.7	Very high	86	Confident	51 Å²	51	81.2 Å²	81.2	20%	0.2	40%	0.397	C	S	.	.			trans	-65	134.2	172.9	-179	-109.4	0	0	0	110.4	F61 R62 F66 W320 P321	F61-Y64 HydrophobicContact CD1-CD1 4.01Å; F61-Y64 HydrophobicContact CD1-CG 4.49Å; F61-Y64 HydrophobicContact CE1-CD1 4.48Å; F61-Y64 WeakPolarHBondContact O-CB 3.2Å; F61-Y64 PolarHBondContact O-N 3.35Å; R62-Y64 PolarHBondContact O-N 3.46Å; Y64-F66 AromaticContact CD1-CD1 3.83Å; Y64-F66 HydrophobicContact CD1-CD1 3.83Å; Y64-F66 AromaticContact CD1-CD2 3.98Å; Y64-F66 HydrophobicContact CD1-CD2 3.98Å; Y64-F66 AromaticContact CD1-CE1 3.77Å; Y64-F66 HydrophobicContact CD1-CE1 3.77Å; Y64-F66 AromaticContact CD1-CE2 3.94Å; Y64-F66 HydrophobicContact CD1-CE2 3.94Å; Y64-F66 AromaticContact CD1-CG 3.94Å; Y64-F66 HydrophobicContact CD1-CG 3.94Å; Y64-F66 AromaticContact CD1-CZ 3.85Å; Y64-F66 HydrophobicContact CD1-CZ 3.85Å; Y64-F66 AromaticContact CE1-CD1 3.75Å; Y64-F66 HydrophobicContact CE1-CD1 3.75Å; Y64-F66 AromaticContact CE1-CE1 4Å; Y64-F66 HydrophobicContact CE1-CE1 4Å; Y64-F66 HydrophobicContact CE1-CG 4.06Å; Y64-W320 AromaticContact CE1-CD1 3.65Å; Y64-W320 HydrophobicContact CE1-CG 4.28Å; Y64-W320 AromaticContact CE1-NE1 3.9Å; Y64-W320 AromaticContact CZ-CD1 3.81Å; Y64-P321 HydrophobicContact CD1-CG 4.27Å; Y64-P321 HydrophobicContact CD2-CG 3.64Å; Y64-P321 HydrophobicContact CE2-CG 4.2Å; Y64-P321 HydrophobicContact CG-CG 3.69Å
65	K	96.2	Very high	88.1	Confident	183 Å²	183	80.6 Å²	80.6	80%	0.796	39%	0.39	S	S	*	.			trans	-96.5	101.1	178.5	-66.7	-176.7	-177.6	179.2	0	108.7
66	F	97.4	Very high	90.2	Very high	46 Å²	46	77.8 Å²	77.8	20%	0.202	37%	0.373	C	S	.	.			trans	-66.2	138.2	177	-63.9	-92.2	0	0	0	111.4	F61 Y64 L70 R71 P72 W320	F61-F66 HydrophobicContact CB-CZ 4.4Å; F61-F66 AromaticContact CD1-CE1 3.73Å; F61-F66 HydrophobicContact CD1-CE1 3.73Å; F61-F66 AromaticContact CD1-CZ 3.46Å; F61-F66 HydrophobicContact CD1-CZ 3.46Å; F61-F66 VanDerWaalsContact CD1-CZ 3.46Å; F61-F66 AromaticContact CE1-CE1 3.91Å; F61-F66 HydrophobicContact CE1-CE1 3.91Å; F61-F66 HydrophobicContact CE1-CZ 4.1Å; F61-F66 HydrophobicContact CG-CZ 4.3Å; Y64-F66 AromaticContact CD1-CD1 3.83Å; Y64-F66 HydrophobicContact CD1-CD1 3.83Å; Y64-F66 AromaticContact CD1-CD2 3.98Å; Y64-F66 HydrophobicContact CD1-CD2 3.98Å; Y64-F66 AromaticContact CD1-CE1 3.77Å; Y64-F66 HydrophobicContact CD1-CE1 3.77Å; Y64-F66 AromaticContact CD1-CE2 3.94Å; Y64-F66 HydrophobicContact CD1-CE2 3.94Å; Y64-F66 AromaticContact CD1-CG 3.94Å; Y64-F66 HydrophobicContact CD1-CG 3.94Å; Y64-F66 AromaticContact CD1-CZ 3.85Å; Y64-F66 HydrophobicContact CD1-CZ 3.85Å; Y64-F66 AromaticContact CE1-CD1 3.75Å; Y64-F66 HydrophobicContact CE1-CD1 3.75Å; Y64-F66 AromaticContact CE1-CE1 4Å; Y64-F66 HydrophobicContact CE1-CE1 4Å; Y64-F66 HydrophobicContact CE1-CG 4.06Å; F66-L70 WeakPolarHBondContact CD1-O 3.22Å; F66-R71 VanDerWaalsContact CE2-CD 3.46Å; F66-P72 HydrophobicContact CZ-CG 4.35Å; F66-W320 AromaticContact CD1-CE2 3.92Å; F66-W320 AromaticContact CD1-CZ2 3.84Å; F66-W320 HydrophobicContact CD1-CZ2 3.84Å; F66-W320 HydrophobicContact CE1-CD2 4.41Å; F66-W320 HydrophobicContact CE1-CH2 4.35Å; F66-W320 AromaticContact CE1-CZ2 3.99Å; F66-W320 HydrophobicContact CE1-CZ2 3.99Å
67	T	97.6	Very high	91.8	Very high	36 Å²	36	81.7 Å²	81.7	22%	0.221	40%	0.398	C	S	.	.	S	Bend	trans	-71.9	-37.1	175.3	58.1	0	0	0	0	111.7	E318 T328	T67-E318 HydrophobicContact CG2-CB 4.47Å; T67-E318 VanDerWaalsContact CG2-CD 3.49Å; T67-E318 HydrophobicContact CG2-CG 4.21Å; T67-T328 VanDerWaalsContact CB-O 3.28Å; T67-T328 WeakPolarHBondContact CB-O 3.36Å; T67-T328 PolarHBondContact OG1-O 2.9Å
68	G	95.4	Very high	93.2	Very high	8 Å²	8	78.3 Å²	78.3	8%	0.082	38%	0.381	C	S	.	.	S	Bend	trans	-116.6	-161.6	-179.4	0	0	0	0	0	115.1	R71 E179	G68-R71 PolarHBondContact O-NH1 2.72Å; G68-E179 VanDerWaalsContact C-OE1 3.29Å; G68-E179 VanDerWaalsContact CA-OE1 3.26Å; G68-E179 WeakPolarHBondContact CA-OE1 3.3Å
69	Q	94	Very high	94	Very high	171 Å²	171	79.9 Å²	79.9	80%	0.799	38%	0.384	S	S	*	.	S	Bend	trans	-92.1	-17.2	-175.9	-62.2	-59.6	-37.2	0	0	113	R71 E179	Q69-R71 PolarHBondContact O-NH1 2.83Å; Q69-E179 PolarHBondContact N-OE1 2.83Å
70	L	96.1	Very high	94.6	Very high	12 Å²	12	82.8 Å²	82.8	6%	0.063	40%	0.398	C	S	.	.			trans	-66.3	144.9	177.5	-70.3	178.2	0	0	0	111.7	F66 V177 N178 E179 V180 W320	F66-L70 WeakPolarHBondContact CD1-O 3.22Å; L70-V177 HydrophobicContact CD1-CB 4.06Å; L70-V177 HydrophobicContact CD1-CG1 4.24Å; L70-V177 WeakPolarHBondContact CD1-O 3.32Å; L70-V177 HydrophobicContact CD2-CG1 4.25Å; L70-N178 HydrophobicContact CD1-CB 4.16Å; L70-E179 VanDerWaalsContact CB-OE1 3.24Å; L70-E179 WeakPolarHBondContact CB-OE1 3.4Å; L70-E179 VanDerWaalsContact CD1-CD 3.49Å; L70-E179 HydrophobicContact CD1-CG 4.15Å; L70-E179 VanDerWaalsContact CD1-OE2 3.25Å; L70-E179 WeakPolarHBondContact CD1-OE2 3.43Å; L70-E179 VanDerWaalsContact CG-CD 3.42Å; L70-E179 WeakPolarHBondContact CG-OE1 3.49Å; L70-E179 VanDerWaalsContact CG-OE2 3.26Å; L70-E179 WeakPolarHBondContact CG-OE2 3.48Å; L70-E179 PolarHBondContact N-OE1 2.7Å; L70-V180 HydrophobicContact CD1-CG2 3.89Å; L70-W320 HydrophobicContact CB-CH2 4.04Å; L70-W320 HydrophobicContact CB-CZ2 4.24Å
71	R	95.1	Very high	94.9	Very high	118 Å²	118	78.1 Å²	78.1	45%	0.445	38%	0.382	S	S	.	.			trans	-132.9	143.4	173.5	-60.7	-64.4	178.7	-89.6	1.1	107.7	F66 G68 Q69	F66-R71 VanDerWaalsContact CE2-CD 3.46Å; G68-R71 PolarHBondContact O-NH1 2.72Å; Q69-R71 PolarHBondContact O-NH1 2.83Å
72	P	94.9	Very high	95	Very high	19 Å²	19	80.4 Å²	80.4	12%	0.123	39%	0.392	C	S	.	.			trans	-61.8	144.2	172.5	29.3	-36.6	0	0	0	109.1	C56 F61 F66 W320	C56-P72 HydrophobicContact CB-CB 4.16Å; C56-P72 HydrophobicContact CB-CG 4.05Å; C56-P72 WeakPolarHBondContact CB-O 3.14Å; F61-P72 HydrophobicContact CD1-CG 3.89Å; F61-P72 HydrophobicContact CD2-CG 3.99Å; F61-P72 HydrophobicContact CE1-CG 3.83Å; F61-P72 HydrophobicContact CE2-CB 4.3Å; F61-P72 HydrophobicContact CE2-CG 3.96Å; F61-P72 HydrophobicContact CG-CG 3.94Å; F61-P72 HydrophobicContact CZ-CB 4.18Å; F61-P72 HydrophobicContact CZ-CG 3.87Å; F66-P72 HydrophobicContact CZ-CG 4.35Å; P72-W320 HydrophobicContact CB-CZ3 4.23Å
73	A	94.2	Very high	95.3	Very high	13 Å²	13	77.1 Å²	77.1	11%	0.107	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-105	177.4	168.8	0	0	0	0	0	110.5	C56 D187 M188 R189	C56-A73 PolarHBondContact SG-O 3.24Å; C56-A73 VanDerWaalsContact SG-O 3.37Å; A73-D187 HydrophobicContact CB-CB 4.2Å; A73-D187 PolarHBondContact N-OD2 3.27Å; A73-M188 HydrophobicContact CB-CB 4.32Å; A73-R189 HydrophobicContact CB-CB 4.01Å; A73-R189 VanDerWaalsContact CB-N 3.34Å
74	K	93.9	Very high	95.6	Very high	118 Å²	118	77.7 Å²	77.7	51%	0.513	39%	0.391	S	S	.	.			trans	-59.7	144	170.7	-175.1	176.3	-179.1	176.1	0	110.1	D54 M188	D54-K74 HydrophobicContact CB-CB 4.38Å; K74-M188 HydrophobicContact CB-CG 4.47Å; K74-M188 VanDerWaalsContact O-CB 3.28Å; K74-M188 WeakPolarHBondContact O-CB 3.18Å; K74-M188 WeakPolarHBondContact O-CG 3.12Å; K74-M188 PolarHBondContact O-N 3.19Å
75	K	93.5	Very high	95.8	Very high	60 Å²	60	75.7 Å²	75.7	26%	0.261	38%	0.383	S	S	.	.			trans	-108.7	138.5	176.1	-69.2	168.3	-74.7	-163.4	0	109.6	D58 I185 D187	D58-K75 IonicContact OD2-NZ 3.66Å; K75-I185 HydrophobicContact CD-CB 4.48Å; K75-I185 HydrophobicContact CD-CG2 3.61Å; K75-I185 HydrophobicContact CG-CG2 4.42Å; K75-D187 HydrophobicContact CG-CB 3.71Å
76	T	95	Very high	95.9	Very high	44 Å²	44	71.2 Å²	71.2	27%	0.27	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-71.8	158.4	168.2	67.4	0	0	0	0	110.3	D144 K171 M188	T76-D144 WeakPolarHBondContact CB-OD2 3.32Å; T76-D144 WeakPolarHBondContact CG2-OD2 3.48Å; T76-D144 PolarHBondContact N-OD1 3.11Å; T76-D144 VanDerWaalsContact N-OD1 3.17Å; T76-D144 PolarHBondContact OG1-OD1 2.76Å; T76-D144 PolarHBondContact OG1-OD2 3.4Å; T76-K171 PolarHBondContact O-NZ 2.96Å; T76-K171 PolarHBondContact OG1-NZ 2.83Å; T76-M188 HydrophobicContact CG2-SD 3.86Å
77	P	95.5	Very high	95.9	Very high	114 Å²	114	72.4 Å²	72.4	74%	0.74	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-54.2	155.5	176.8	-27	36.1	0	0	0	113.4	R79	P77-R79 PolarHBondContact O-N 2.84Å
78	K	96.2	Very high	95.9	Very high	105 Å²	105	71 Å²	71	46%	0.457	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-56.2	130.6	174	-174.2	174.9	65.5	169.3	0	109.8	L164 N165	K78-L164 HydrophobicContact CD-CD1 4Å; K78-L164 HydrophobicContact CD-CG 4.45Å; K78-L164 HydrophobicContact CG-CD1 3.65Å; K78-L164 HydrophobicContact CG-CG 4.47Å; K78-N165 PolarHBondContact NZ-OD1 2.7Å
79	R	97.7	Very high	96	Very high	63 Å²	63	73.5 Å²	73.5	24%	0.238	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-76.7	150.5	178.7	-62.3	-178.8	-175.5	-71.5	-7.9	111.1	P77 D144 D147 H151	P77-R79 PolarHBondContact O-N 2.84Å; R79-D144 IonicContact NH2-OD2 2.69Å; R79-D144 PolarHBondContact NH2-OD2 3.39Å; R79-D147 IonicContact NE-OD2 2.84Å; R79-D147 PolarHBondContact NE-OD2 2.88Å; R79-H151 VanDerWaalsContact CB-CE1 3.42Å; R79-H151 WeakPolarHBondContact CB-CE1 3.26Å
80	E	96.8	Very high	96.2	Very high	177 Å²	177	65.5 Å²	65.5	83%	0.827	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-94.4	136.4	-178.5	-64.6	-174.7	165.5	0	0	111.2	H151	E80-H151 PolarHBondContact O-NE2 2.88Å; E80-H151 VanDerWaalsContact O-NE2 3.11Å
81	V	98.1	Very high	96.3	Very high	18 Å²	18	65.1 Å²	65.1	11%	0.109	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-94.3	145.5	169.8	-178.3	0	0	0	0	107.9	I85 Y87 I155 Y160 P161 L164	V81-I85 HydrophobicContact CG1-CB 3.98Å; V81-I85 HydrophobicContact CG1-CD1 3.93Å; V81-I85 HydrophobicContact CG1-CG2 4.06Å; V81-Y87 HydrophobicContact CB-CE2 4.02Å; V81-Y87 WeakPolarHBondContact CB-OH 3.23Å; V81-Y87 HydrophobicContact CG1-CD2 4.5Å; V81-Y87 HydrophobicContact CG1-CE2 3.58Å; V81-Y87 PolarHBondContact O-OH 2.64Å; V81-I155 HydrophobicContact CB-CD1 4.11Å; V81-I155 HydrophobicContact CG1-CD1 3.69Å; V81-I155 HydrophobicContact CG2-CD1 4.03Å; V81-Y160 HydrophobicContact CB-CD2 4.16Å; V81-Y160 HydrophobicContact CB-CE2 4.13Å; V81-Y160 HydrophobicContact CG1-CD2 3.86Å; V81-Y160 HydrophobicContact CG1-CE2 4.34Å; V81-Y160 HydrophobicContact CG2-CD2 3.92Å; V81-Y160 HydrophobicContact CG2-CE2 3.76Å; V81-P161 HydrophobicContact CG2-CG 4.36Å; V81-L164 HydrophobicContact CG2-CD2 3.61Å
82	K	94.8	Very high	96.3	Very high	67 Å²	67	65.9 Å²	65.9	29%	0.291	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-71.2	141.9	176.1	63.3	-172.7	-175	-160.3	0	110.7	S84 I85 I155 E158	K82-S84 WeakPolarHBondContact CD-OG 3.45Å; K82-S84 WeakPolarHBondContact CE-OG 3.36Å; K82-S84 WeakPolarHBondContact CG-OG 3.44Å; K82-S84 PolarHBondContact O-N 3.29Å; K82-S84 VanDerWaalsContact O-N 3.09Å; K82-I85 HydrophobicContact CD-CD1 4.18Å; K82-I85 HydrophobicContact CD-CG1 4.25Å; K82-I85 VanDerWaalsContact CE-CD1 3.46Å; K82-I85 VanDerWaalsContact CE-CG1 3.41Å; K82-I85 HydrophobicContact CG-CB 4.4Å; K82-I85 HydrophobicContact CG-CD1 3.76Å; K82-I85 HydrophobicContact CG-CG1 3.76Å; K82-I85 PolarHBondContact O-N 2.92Å; K82-I85 VanDerWaalsContact O-N 3.12Å; K82-I155 HydrophobicContact CD-CG2 3.84Å; K82-I155 HydrophobicContact CG-CG2 4.26Å; K82-I155 PolarHBondContact NZ-O 2.88Å; K82-E158 WeakPolarHBondContact CE-OE1 3.41Å; K82-E158 WeakPolarHBondContact CE-OE2 3.34Å; K82-E158 IonicContact NZ-OE1 3.31Å; K82-E158 PolarHBondContact NZ-OE1 3.07Å; K82-E158 IonicContact NZ-OE2 2.79Å; K82-E158 PolarHBondContact NZ-OE2 3.45Å
83	S	94.8	Very high	96.3	Very high	122 Å²	122	68.7 Å²	68.7	85%	0.853	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-9.9	-178.3	56.1	0	0	0	0	115.1
84	S	96.3	Very high	96.4	Very high	87 Å²	87	68.1 Å²	68.1	61%	0.608	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-18.3	174.1	66.2	0	0	0	0	113.6	K82	K82-S84 WeakPolarHBondContact CD-OG 3.45Å; K82-S84 WeakPolarHBondContact CE-OG 3.36Å; K82-S84 WeakPolarHBondContact CG-OG 3.44Å; K82-S84 PolarHBondContact O-N 3.29Å; K82-S84 VanDerWaalsContact O-N 3.09Å
85	I	98	Very high	96.5	Very high	8 Å²	8	65.8 Å²	65.8	4%	0.041	35%	0.349	C	S	.	.	S	Bend	trans	-79	140.7	174.6	-72.7	175	0	0	0	108.7	V81 K82 Y87 I155	V81-I85 HydrophobicContact CG1-CB 3.98Å; V81-I85 HydrophobicContact CG1-CD1 3.93Å; V81-I85 HydrophobicContact CG1-CG2 4.06Å; K82-I85 HydrophobicContact CD-CD1 4.18Å; K82-I85 HydrophobicContact CD-CG1 4.25Å; K82-I85 VanDerWaalsContact CE-CD1 3.46Å; K82-I85 VanDerWaalsContact CE-CG1 3.41Å; K82-I85 HydrophobicContact CG-CB 4.4Å; K82-I85 HydrophobicContact CG-CD1 3.76Å; K82-I85 HydrophobicContact CG-CG1 3.76Å; K82-I85 PolarHBondContact O-N 2.92Å; K82-I85 VanDerWaalsContact O-N 3.12Å; I85-Y87 HydrophobicContact CB-CE2 4.43Å; I85-Y87 WeakPolarHBondContact O-CD2 3.42Å; I85-Y87 WeakPolarHBondContact O-CE2 3.17Å; I85-I155 HydrophobicContact CD1-CB 4.48Å; I85-I155 HydrophobicContact CD1-CD1 3.76Å; I85-I155 HydrophobicContact CD1-CG2 4.25Å
86	E	97.7	Very high	96.6	Very high	90 Å²	90	62.9 Å²	62.9	42%	0.421	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-68.6	131.1	173.6	-165.7	-166.3	151.6	0	0	111	Y204 N206 G207	E86-Y204 HydrophobicContact CB-CE1 4.33Å; E86-Y204 HydrophobicContact CG-CE1 4.03Å; E86-Y204 PolarHBondContact OE1-OH 3.12Å; E86-N206 VanDerWaalsContact OE2-CA 3.27Å; E86-N206 WeakPolarHBondContact OE2-CA 3.35Å; E86-G207 PolarHBondContact OE2-N 3.2Å; E86-G207 VanDerWaalsContact OE2-N 3.15Å
87	Y	98.4	Very high	96.7	Very high	70 Å²	70	63.8 Å²	63.8	28%	0.275	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-101.8	137.2	-176.7	-79.8	-154	0	0	0	110.5	V81 I85 A91 I92 Y160	V81-Y87 HydrophobicContact CB-CE2 4.02Å; V81-Y87 WeakPolarHBondContact CB-OH 3.23Å; V81-Y87 HydrophobicContact CG1-CD2 4.5Å; V81-Y87 HydrophobicContact CG1-CE2 3.58Å; V81-Y87 PolarHBondContact O-OH 2.64Å; I85-Y87 HydrophobicContact CB-CE2 4.43Å; I85-Y87 WeakPolarHBondContact O-CD2 3.42Å; I85-Y87 WeakPolarHBondContact O-CE2 3.17Å; Y87-A91 HydrophobicContact CD1-CB 3.42Å; Y87-A91 VanDerWaalsContact CD1-CB 3.42Å; Y87-A91 HydrophobicContact CE1-CB 4.33Å; Y87-A91 HydrophobicContact CG-CB 3.81Å; Y87-I92 HydrophobicContact CD1-CD1 3.81Å; Y87-I92 HydrophobicContact CD1-CG1 4.33Å; Y87-I92 HydrophobicContact CE1-CD1 3.78Å; Y87-Y160 HydrophobicContact CD1-CD2 4.43Å; Y87-Y160 HydrophobicContact CD1-CE2 4.05Å; Y87-Y160 AromaticContact CD2-CD2 3.66Å; Y87-Y160 HydrophobicContact CD2-CD2 3.66Å; Y87-Y160 HydrophobicContact CD2-CE2 4.09Å; Y87-Y160 HydrophobicContact CE1-CE2 4.15Å; Y87-Y160 AromaticContact CE2-CD2 3.95Å; Y87-Y160 HydrophobicContact CE2-CD2 3.95Å; Y87-Y160 HydrophobicContact CE2-CE2 4.24Å; Y87-Y160 AromaticContact CG-CD2 3.96Å; Y87-Y160 HydrophobicContact CG-CD2 3.96Å; Y87-Y160 HydrophobicContact CG-CE2 4.03Å
88	P	98.3	Very high	96.7	Very high	6 Å²	6	61 Å²	61	4%	0.039	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-65.8	159.4	163.6	30.9	-35.1	0	0	0	110.2	Y90 A91 Y160 Y204	P88-Y90 HydrophobicContact CB-CD1 4Å; P88-Y90 HydrophobicContact CB-CE1 3.55Å; P88-Y90 HydrophobicContact CB-CE2 4.25Å; P88-Y90 HydrophobicContact CG-CD1 4.41Å; P88-Y90 HydrophobicContact CG-CD2 4.22Å; P88-Y90 HydrophobicContact CG-CE1 3.9Å; P88-Y90 HydrophobicContact CG-CE2 3.66Å; P88-Y90 VanDerWaalsContact CG-CZ 3.5Å; P88-Y90 PolarHBondContact O-N 3.15Å; P88-A91 HydrophobicContact CG-CB 4.18Å; P88-A91 VanDerWaalsContact O-CB 3.22Å; P88-A91 WeakPolarHBondContact O-CB 3.35Å; P88-A91 PolarHBondContact O-N 2.92Å; P88-Y160 HydrophobicContact CG-CD1 3.73Å; P88-Y160 HydrophobicContact CG-CE1 3.91Å; P88-Y160 HydrophobicContact CG-CG 4.28Å; P88-Y204 HydrophobicContact CB-CD1 4.37Å; P88-Y204 HydrophobicContact CB-CD2 4.34Å; P88-Y204 HydrophobicContact CB-CE1 4.37Å; P88-Y204 HydrophobicContact CB-CE2 4.29Å; P88-Y204 HydrophobicContact CB-CG 4.33Å; P88-Y204 HydrophobicContact CG-CD1 4.44Å; P88-Y204 HydrophobicContact CG-CG 4.47Å
89	D	97.5	Very high	96.7	Very high	62 Å²	62	57 Å²	57	33%	0.332	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.9	-171.3	65.7	0.9	0	0	0	115.1	P96 V97 S98	D89-P96 WeakPolarHBondContact OD1-CA 3.48Å; D89-V97 PolarHBondContact OD2-N 2.88Å; D89-V97 VanDerWaalsContact OD2-N 3.12Å; D89-S98 WeakPolarHBondContact OD2-CB 3.34Å; D89-S98 PolarHBondContact OD2-N 3.38Å; D89-S98 PolarHBondContact OD2-OG 3Å
90	Y	97.8	Very high	96.4	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.008	32%	0.32	C	S	.	.	H	α-helix	trans	-89.3	-9.8	177.9	56.8	-99.8	0	0	0	114.4	P88 I92 T93 G94 I95 P96 S162 N165 Y166 H209	P88-Y90 HydrophobicContact CB-CD1 4Å; P88-Y90 HydrophobicContact CB-CE1 3.55Å; P88-Y90 HydrophobicContact CB-CE2 4.25Å; P88-Y90 HydrophobicContact CG-CD1 4.41Å; P88-Y90 HydrophobicContact CG-CD2 4.22Å; P88-Y90 HydrophobicContact CG-CE1 3.9Å; P88-Y90 HydrophobicContact CG-CE2 3.66Å; P88-Y90 VanDerWaalsContact CG-CZ 3.5Å; P88-Y90 PolarHBondContact O-N 3.15Å; Y90-I92 PolarHBondContact O-N 3.23Å; Y90-T93 PolarHBondContact O-N 3.28Å; Y90-G94 VanDerWaalsContact O-CA 3.31Å; Y90-G94 WeakPolarHBondContact O-CA 3.28Å; Y90-G94 PolarHBondContact O-N 3.41Å; Y90-I95 WeakPolarHBondContact CA-O 3.26Å; Y90-I95 VanDerWaalsContact CB-C 3.46Å; Y90-I95 WeakPolarHBondContact CB-O 3.36Å; Y90-P96 HydrophobicContact CD1-CB 3.76Å; Y90-P96 HydrophobicContact CG-CB 4.31Å; Y90-S162 WeakPolarHBondContact CE2-O 3.31Å; Y90-S162 WeakPolarHBondContact OH-CA 3.46Å; Y90-S162 WeakPolarHBondContact OH-CB 3.26Å; Y90-S162 PolarHBondContact OH-O 2.87Å; Y90-N165 PolarHBondContact O-ND2 2.83Å; Y90-N165 VanDerWaalsContact O-ND2 3.08Å; Y90-Y166 AromaticContact CD1-CD2 3.82Å; Y90-Y166 HydrophobicContact CD1-CD2 3.82Å; Y90-Y166 HydrophobicContact CD1-CE2 4.35Å; Y90-Y166 HydrophobicContact CD2-CD2 4.03Å; Y90-Y166 AromaticContact CE1-CD2 3.65Å; Y90-Y166 HydrophobicContact CE1-CD2 3.65Å; Y90-Y166 HydrophobicContact CE1-CE2 4.18Å; Y90-Y166 AromaticContact CE2-CD2 3.89Å; Y90-Y166 HydrophobicContact CE2-CD2 3.89Å; Y90-Y166 HydrophobicContact CE2-CG 4.27Å; Y90-Y166 AromaticContact CG-CD2 3.98Å; Y90-Y166 HydrophobicContact CG-CD2 3.98Å; Y90-Y166 AromaticContact CZ-CD2 3.68Å; Y90-H209 PolarHBondContact OH-CE1 2.98Å
91	A	98	Very high	96.2	Very high	5 Å²	5	59 Å²	59	4%	0.041	31%	0.314	C	S	.	.	H	α-helix	trans	-55.6	-31.8	-171.7	0	0	0	0	0	113.5	Y87 P88 Y160 N165	Y87-A91 HydrophobicContact CD1-CB 3.42Å; Y87-A91 VanDerWaalsContact CD1-CB 3.42Å; Y87-A91 HydrophobicContact CE1-CB 4.33Å; Y87-A91 HydrophobicContact CG-CB 3.81Å; P88-A91 HydrophobicContact CG-CB 4.18Å; P88-A91 VanDerWaalsContact O-CB 3.22Å; P88-A91 WeakPolarHBondContact O-CB 3.35Å; P88-A91 PolarHBondContact O-N 2.92Å; A91-Y160 WeakPolarHBondContact CA-OH 3.5Å; A91-Y160 HydrophobicContact CB-CD2 4.41Å; A91-Y160 HydrophobicContact CB-CE1 4.24Å; A91-Y160 HydrophobicContact CB-CE2 3.58Å; A91-Y160 VanDerWaalsContact CB-CZ 3.49Å; A91-Y160 WeakPolarHBondContact CB-OH 3.35Å; A91-N165 PolarHBondContact O-ND2 2.87Å
92	I	94.6	Very high	95.9	Very high	133 Å²	133	59.7 Å²	59.7	68%	0.682	32%	0.322	S	S	*	.	H	α-helix	trans	-95.7	-46.3	178.7	-54.3	-55.9	0	0	0	111.9	Y87 Y90 N165	Y87-I92 HydrophobicContact CD1-CD1 3.81Å; Y87-I92 HydrophobicContact CD1-CG1 4.33Å; Y87-I92 HydrophobicContact CE1-CD1 3.78Å; Y90-I92 PolarHBondContact O-N 3.23Å; I92-N165 PolarHBondContact O-ND2 3.05Å
93	T	95.6	Very high	95.1	Very high	78 Å²	78	65.1 Å²	65.1	48%	0.479	35%	0.346	S	S	.	.	H	α-helix	trans	-91.6	-19.2	-167.8	61.6	0	0	0	0	114.1	Y90 I95	Y90-T93 PolarHBondContact O-N 3.28Å; T93-I95 PolarHBondContact O-N 2.76Å; T93-I95 PolarHBondContact OG1-N 2.86Å; T93-I95 VanDerWaalsContact OG1-N 3.13Å
94	G	95.8	Very high	94.2	Very high	1 Å²	1	63 Å²	63	1%	0.01	34%	0.344	C	S	.	.	S	Bend	trans	71.3	13.2	-168.9	0	0	0	0	0	114.3	Y90 N165 F167	Y90-G94 VanDerWaalsContact O-CA 3.31Å; Y90-G94 WeakPolarHBondContact O-CA 3.28Å; Y90-G94 PolarHBondContact O-N 3.41Å; G94-N165 WeakPolarHBondContact CA-ND2 3.25Å; G94-N165 WeakPolarHBondContact CA-O 3.4Å; G94-N165 PolarHBondContact N-ND2 3.09Å; G94-F167 WeakPolarHBondContact O-CA 3.46Å; G94-F167 PolarHBondContact O-N 2.95Å
95	I	95.5	Very high	93.6	Very high	69 Å²	69	61.3 Å²	61.3	35%	0.354	33%	0.332	S	S	.	.			trans	-118	110	-176	-62.4	173.1	0	0	0	108.8	Y90 T93 V97	Y90-I95 WeakPolarHBondContact CA-O 3.26Å; Y90-I95 VanDerWaalsContact CB-C 3.46Å; Y90-I95 WeakPolarHBondContact CB-O 3.36Å; T93-I95 PolarHBondContact O-N 2.76Å; T93-I95 PolarHBondContact OG1-N 2.86Å; T93-I95 VanDerWaalsContact OG1-N 3.13Å; I95-V97 HydrophobicContact CG2-CG2 3.95Å; I95-V97 PolarHBondContact O-N 2.82Å
96	P	96.4	Very high	93	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	37%	0.369	C	S	.	.			trans	-76.7	88.8	176.2	29.7	-33.4	0	0	0	109.6	D89 Y90 E99 R100 Y166 F167	D89-P96 WeakPolarHBondContact OD1-CA 3.48Å; Y90-P96 HydrophobicContact CD1-CB 3.76Å; Y90-P96 HydrophobicContact CG-CB 4.31Å; P96-E99 HydrophobicContact CB-CB 4.13Å; P96-E99 HydrophobicContact CB-CG 4.21Å; P96-R100 WeakPolarHBondContact O-CB 3.48Å; P96-R100 VanDerWaalsContact O-CG 3.25Å; P96-R100 WeakPolarHBondContact O-CG 3.33Å; P96-R100 PolarHBondContact O-N 3.15Å; P96-R100 VanDerWaalsContact O-N 3.08Å; P96-Y166 HydrophobicContact CB-CD2 4.24Å; P96-Y166 HydrophobicContact CB-CE2 3.76Å; P96-Y166 HydrophobicContact CG-CD2 4.27Å; P96-Y166 HydrophobicContact CG-CE2 3.72Å; P96-F167 HydrophobicContact CG-CD2 3.96Å; P96-F167 HydrophobicContact CG-CE1 4.03Å; P96-F167 HydrophobicContact CG-CE2 3.36Å; P96-F167 HydrophobicContact CG-CZ 3.39Å
97	V	96.7	Very high	92.7	Very high	62 Å²	62	70.4 Å²	70.4	38%	0.376	37%	0.373	S	S	.	.	H	α-helix	trans	-65.4	-45	-172	175.3	0	0	0	0	110.4	D89 I95 E99 R100 Q101	D89-V97 PolarHBondContact OD2-N 2.88Å; D89-V97 VanDerWaalsContact OD2-N 3.12Å; I95-V97 HydrophobicContact CG2-CG2 3.95Å; I95-V97 PolarHBondContact O-N 2.82Å; V97-E99 PolarHBondContact O-N 3.36Å; V97-R100 PolarHBondContact O-N 3.23Å; V97-Q101 HydrophobicContact CG1-CG 4.39Å; V97-Q101 WeakPolarHBondContact O-CG 3.39Å; V97-Q101 PolarHBondContact O-N 3.45Å
98	S	95.9	Very high	92.6	Very high	55 Å²	55	68.7 Å²	68.7	39%	0.385	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-43.2	-177.5	-54.9	0	0	0	0	111.2	D89 Q101 A102	D89-S98 WeakPolarHBondContact OD2-CB 3.34Å; D89-S98 PolarHBondContact OD2-N 3.38Å; D89-S98 PolarHBondContact OD2-OG 3Å; S98-Q101 PolarHBondContact O-N 3.05Å; S98-A102 WeakPolarHBondContact O-CB 3.35Å; S98-A102 PolarHBondContact O-N 2.83Å
99	E	95.3	Very high	92.5	Very high	22 Å²	22	71.1 Å²	71.1	10%	0.103	38%	0.382	C	S	.	.	H	α-helix	trans	-65.6	-43	174.6	-65.8	-174.5	178.4	0	0	112.1	P96 V97 Q101 A102 K103 Y166 L279 F280 H281	P96-E99 HydrophobicContact CB-CB 4.13Å; P96-E99 HydrophobicContact CB-CG 4.21Å; V97-E99 PolarHBondContact O-N 3.36Å; E99-Q101 VanDerWaalsContact C-N 3.29Å; E99-Q101 PolarHBondContact O-N 2.8Å; E99-A102 CarbonylContact O-C 3.59Å; E99-A102 PolarHBondContact O-N 2.81Å; E99-A102 VanDerWaalsContact O-N 3.14Å; E99-K103 PolarHBondContact O-N 3.02Å; E99-Y166 WeakPolarHBondContact OE2-CE2 3.5Å; E99-Y166 PolarHBondContact OE2-OH 2.85Å; E99-L279 HydrophobicContact CG-CB 4.08Å; E99-L279 HydrophobicContact CG-CD2 3.91Å; E99-L279 HydrophobicContact CG-CG 4.39Å; E99-F280 WeakPolarHBondContact OE1-CA 3.25Å; E99-F280 WeakPolarHBondContact OE1-CB 3.48Å; E99-F280 PolarHBondContact OE1-N 3.1Å; E99-H281 PolarHBondContact OE1-N 2.96Å
100	R	92.9	Very high	92.6	Very high	128 Å²	128	72.1 Å²	72.1	48%	0.483	39%	0.391	S	S	.	.	H	α-helix	trans	-62.9	-37.7	178.1	-74.1	177.7	-176.3	-161	7.3	111.9	P96 V97 K103	P96-R100 WeakPolarHBondContact O-CB 3.48Å; P96-R100 VanDerWaalsContact O-CG 3.25Å; P96-R100 WeakPolarHBondContact O-CG 3.33Å; P96-R100 PolarHBondContact O-N 3.15Å; P96-R100 VanDerWaalsContact O-N 3.08Å; V97-R100 PolarHBondContact O-N 3.23Å; R100-K103 WeakPolarHBondContact O-CB 3.4Å
101	Q	91.8	Very high	92.6	Very high	153 Å²	153	72.3 Å²	72.3	72%	0.715	39%	0.392	S	S	*	.	H	α-helix	trans	-67.7	-37.7	173.7	-72.5	175.1	-2.5	0	0	111.7	V97 S98 E99	V97-Q101 HydrophobicContact CG1-CG 4.39Å; V97-Q101 WeakPolarHBondContact O-CG 3.39Å; V97-Q101 PolarHBondContact O-N 3.45Å; S98-Q101 PolarHBondContact O-N 3.05Å; E99-Q101 VanDerWaalsContact C-N 3.29Å; E99-Q101 PolarHBondContact O-N 2.8Å
102	A	90.9	Very high	92.6	Very high	33 Å²	33	76 Å²	76	27%	0.273	41%	0.411	S	S	.	.	H	α-helix	trans	-76.2	-19	178	0	0	0	0	0	114.1	S98 E99 G104 S105 L279	S98-A102 WeakPolarHBondContact O-CB 3.35Å; S98-A102 PolarHBondContact O-N 2.83Å; E99-A102 CarbonylContact O-C 3.59Å; E99-A102 PolarHBondContact O-N 2.81Å; E99-A102 VanDerWaalsContact O-N 3.14Å; A102-G104 PolarHBondContact O-N 2.77Å; A102-S105 WeakPolarHBondContact O-CA 3.24Å; A102-S105 VanDerWaalsContact O-CB 3.31Å; A102-S105 WeakPolarHBondContact O-CB 3.03Å; A102-S105 PolarHBondContact O-N 3.31Å; A102-L279 HydrophobicContact CB-CD1 3.67Å
103	K	78.2	Confident	92.7	Very high	181 Å²	181	74.3 Å²	74.3	79%	0.787	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-29.7	-173.7	-171.4	175.5	-177.3	174.7	0	114.9	E99 R100 S105	E99-K103 PolarHBondContact O-N 3.02Å; R100-K103 WeakPolarHBondContact O-CB 3.4Å; K103-S105 VanDerWaalsContact C-N 3.27Å
104	G	77.7	Confident	92.8	Very high	78 Å²	78	76.8 Å²	76.8	80%	0.804	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.7	176.4	0	0	0	0	0	113.7	A102	A102-G104 PolarHBondContact O-N 2.77Å
105	S	83.6	Confident	93	Very high	51 Å²	51	78.2 Å²	78.2	36%	0.357	42%	0.42	S	S	.	.			trans	-81.5	137.2	178.5	-167.8	0	0	0	0	111.5	A102 K103 S107	A102-S105 WeakPolarHBondContact O-CA 3.24Å; A102-S105 VanDerWaalsContact O-CB 3.31Å; A102-S105 WeakPolarHBondContact O-CB 3.03Å; A102-S105 PolarHBondContact O-N 3.31Å; K103-S105 VanDerWaalsContact C-N 3.27Å; S105-S107 WeakPolarHBondContact OG-CB 3.47Å; S105-S107 PolarHBondContact OG-N 3.35Å; S105-S107 VanDerWaalsContact OG-N 3.08Å; S105-S107 PolarHBondContact OG-OG 2.92Å
106	R	84.1	Confident	93.1	Very high	217 Å²	217	75.5 Å²	75.5	82%	0.819	41%	0.406	S	S	*	.			trans	-103.9	7.8	166.9	-61.2	-176.6	-180	178.1	0.1	111.9	I108	R106-I108 PolarHBondContact O-N 3.04Å
107	S	91.7	Very high	93.2	Very high	72 Å²	72	80.1 Å²	80.1	50%	0.503	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-71	124	178.7	64.5	0	0	0	0	109.7	S105	S105-S107 WeakPolarHBondContact OG-CB 3.47Å; S105-S107 PolarHBondContact OG-N 3.35Å; S105-S107 VanDerWaalsContact OG-N 3.08Å; S105-S107 PolarHBondContact OG-OG 2.92Å
108	I	96.8	Very high	93.3	Very high	34 Å²	34	79.2 Å²	79.2	17%	0.174	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-83.1	124.4	168.1	-56.6	166	0	0	0	106.6	R106 Y249 P283 P284 H302	R106-I108 PolarHBondContact O-N 3.04Å; I108-Y249 HydrophobicContact CD1-CD2 4.1Å; I108-Y249 HydrophobicContact CD1-CE2 3.57Å; I108-P283 HydrophobicContact CG1-CB 4.21Å; I108-P284 HydrophobicContact CD1-CB 3.73Å; I108-P284 HydrophobicContact CD1-CG 3.95Å; I108-P284 HydrophobicContact CG1-CB 4.04Å; I108-P284 HydrophobicContact CG1-CG 4.17Å; I108-P284 HydrophobicContact CG2-CG 4.05Å; I108-H302 HydrophobicContact CG2-CB 4.38Å; I108-H302 VanDerWaalsContact CG2-CE1 3.49Å; I108-H302 WeakPolarHBondContact CG2-CE1 3.39Å
109	V	96.6	Very high	93.4	Very high	57 Å²	57	76.6 Å²	76.6	35%	0.345	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-71.4	137.5	-178.6	179.9	0	0	0	0	109.5	L111 H277 H302	V109-L111 HydrophobicContact CG1-CD2 3.92Å; V109-H277 WeakPolarHBondContact CG2-NE2 3.36Å; V109-H302 PolarHBondContact O-CD2 2.87Å
110	V	98.2	Very high	93.6	Very high	83 Å²	83	78.6 Å²	78.6	50%	0.503	41%	0.412	S	S	.	.			trans	-103.4	110.7	170.4	175.3	0	0	0	0	106.3	P300	V110-P300 WeakPolarHBondContact CG1-O 3.38Å
111	L	98.5	Very high	93.9	Very high	6 Å²	6	75.1 Å²	75.1	3%	0.031	41%	0.405	C	S	.	.			trans	-72.4	143.7	178.3	-57.4	-175.8	0	0	0	110.6	V109 E115 I116 M119 H277 G301 C303	V109-L111 HydrophobicContact CG1-CD2 3.92Å; L111-E115 HydrophobicContact CB-CB 4.01Å; L111-E115 HydrophobicContact CD2-CB 4.17Å; L111-E115 WeakPolarHBondContact CD2-OE2 3.28Å; L111-E115 HydrophobicContact CG-CB 4.48Å; L111-I116 HydrophobicContact CB-CD1 4.4Å; L111-I116 HydrophobicContact CB-CG1 3.76Å; L111-I116 HydrophobicContact CD1-CG1 4.39Å; L111-M119 HydrophobicContact CD1-CG 3.71Å; L111-H277 HydrophobicContact CD1-CB 4.36Å; L111-H277 HydrophobicContact CD2-CB 3.94Å; L111-G301 WeakPolarHBondContact CB-O 3.38Å; L111-G301 WeakPolarHBondContact CG-O 3.19Å; L111-G301 PolarHBondContact N-O 3.47Å; L111-C303 HydrophobicContact CD1-CB 3.62Å; L111-C303 HydrophobicContact CG-CB 4.49Å
112	D	97.8	Very high	94.2	Very high	84 Å²	84	67.9 Å²	67.9	45%	0.449	37%	0.371	S	S	.	.			trans	-82.1	179.6	167.3	68.5	38.3	0	0	0	111.8	D114 E115 I116	D112-D114 VanDerWaalsContact C-N 3.32Å; D112-D114 PolarHBondContact O-N 3.31Å; D112-D114 PolarHBondContact OD1-N 3.16Å; D112-E115 PolarHBondContact O-N 3.43Å; D112-E115 WeakPolarHBondContact OD1-CG 3.06Å; D112-E115 PolarHBondContact OD1-N 3.34Å; D112-I116 WeakPolarHBondContact O-CB 3.45Å; D112-I116 WeakPolarHBondContact O-CD1 3.21Å; D112-I116 WeakPolarHBondContact O-CG1 3.23Å; D112-I116 PolarHBondContact O-N 3.28Å
113	D	97	Very high	94.6	Very high	96 Å²	96	66.3 Å²	66.3	51%	0.513	36%	0.358	S	S	.	.	H	α-helix	trans	-67.9	-31.5	-173.8	-63.7	-34.1	0	0	0	112.8	E117 K345	D113-E117 PolarHBondContact O-N 3.01Å; D113-E117 VanDerWaalsContact O-N 3.11Å; D113-K345 IonicContact OD1-NZ 2.83Å; D113-K345 PolarHBondContact OD1-NZ 3.25Å; D113-K345 IonicContact OD2-NZ 3.84Å; D113-K345 PolarHBondContact OD2-NZ 3.37Å
114	D	98.2	Very high	95.6	Very high	130 Å²	130	63.5 Å²	63.5	70%	0.695	35%	0.346	S	S	*	.	H	α-helix	trans	-74.3	-42.5	178.9	-69.4	-20.9	0	0	0	110.3	D112 I116 E117 C118	D112-D114 VanDerWaalsContact C-N 3.32Å; D112-D114 PolarHBondContact O-N 3.31Å; D112-D114 PolarHBondContact OD1-N 3.16Å; D114-I116 VanDerWaalsContact C-N 3.32Å; D114-I116 PolarHBondContact O-N 2.77Å; D114-E117 WeakPolarHBondContact O-CB 3.34Å; D114-E117 PolarHBondContact O-N 2.9Å; D114-E117 VanDerWaalsContact O-N 3.17Å; D114-C118 PolarHBondContact O-N 3.02Å; D114-C118 PolarHBondContact O-SG 2.88Å
115	E	98.7	Very high	96.6	Very high	32 Å²	32	60.9 Å²	60.9	15%	0.15	31%	0.313	C	S	.	.	H	α-helix	trans	-63.9	-38.3	175	-63.5	-167.5	126	0	0	111.7	L111 D112 E117 C118 M119 F208 R278	L111-E115 HydrophobicContact CB-CB 4.01Å; L111-E115 HydrophobicContact CD2-CB 4.17Å; L111-E115 WeakPolarHBondContact CD2-OE2 3.28Å; L111-E115 HydrophobicContact CG-CB 4.48Å; D112-E115 PolarHBondContact O-N 3.43Å; D112-E115 WeakPolarHBondContact OD1-CG 3.06Å; D112-E115 PolarHBondContact OD1-N 3.34Å; E115-E117 VanDerWaalsContact C-N 3.3Å; E115-E117 PolarHBondContact O-N 3.37Å; E115-C118 WeakPolarHBondContact O-CB 3.3Å; E115-C118 PolarHBondContact O-N 3.33Å; E115-M119 WeakPolarHBondContact O-CG 3.45Å; E115-M119 PolarHBondContact O-N 2.66Å; E115-F208 HydrophobicContact CB-CE1 3.98Å; E115-F208 HydrophobicContact CB-CZ 3.85Å; E115-F208 HydrophobicContact CG-CE1 4.3Å; E115-F208 HydrophobicContact CG-CZ 3.81Å; E115-R278 IonicContact OE1-CZ 2.83Å; E115-R278 VanDerWaalsContact OE1-CZ 3.31Å; E115-R278 IonicContact OE1-NE 3.25Å; E115-R278 PolarHBondContact OE1-NE 2.59Å; E115-R278 IonicContact OE1-NH2 3.93Å; E115-R278 PolarHBondContact OE1-NH2 3.29Å
116	I	98.6	Very high	97.3	Very high	12 Å²	12	58.5 Å²	58.5	6%	0.062	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-37.9	173.9	-68.6	168.3	0	0	0	110.9	L111 D112 D114 M119 R120 V342	L111-I116 HydrophobicContact CB-CD1 4.4Å; L111-I116 HydrophobicContact CB-CG1 3.76Å; L111-I116 HydrophobicContact CD1-CG1 4.39Å; D112-I116 WeakPolarHBondContact O-CB 3.45Å; D112-I116 WeakPolarHBondContact O-CD1 3.21Å; D112-I116 WeakPolarHBondContact O-CG1 3.23Å; D112-I116 PolarHBondContact O-N 3.28Å; D114-I116 VanDerWaalsContact C-N 3.32Å; D114-I116 PolarHBondContact O-N 2.77Å; I116-M119 CarbonylContact O-C 3.58Å; I116-M119 WeakPolarHBondContact O-CA 3.27Å; I116-M119 WeakPolarHBondContact O-CB 3.38Å; I116-M119 PolarHBondContact O-N 3.07Å; I116-M119 VanDerWaalsContact O-N 3.16Å; I116-R120 WeakPolarHBondContact O-CG 3.38Å; I116-R120 PolarHBondContact O-N 3.03Å; I116-V342 HydrophobicContact CD1-CG2 4.07Å; I116-V342 HydrophobicContact CG1-CG2 4.08Å; I116-V342 HydrophobicContact CG2-CG1 4.27Å
117	E	98.4	Very high	98	Very high	96 Å²	96	48.4 Å²	48.4	45%	0.449	26%	0.258	S	S	.	.	H	α-helix	trans	-65.5	-40.6	175.6	-170.1	56.9	-150.1	0	0	111.8	D113 D114 E115 M119 R120 V121	D113-E117 PolarHBondContact O-N 3.01Å; D113-E117 VanDerWaalsContact O-N 3.11Å; D114-E117 WeakPolarHBondContact O-CB 3.34Å; D114-E117 PolarHBondContact O-N 2.9Å; D114-E117 VanDerWaalsContact O-N 3.17Å; E115-E117 VanDerWaalsContact C-N 3.3Å; E115-E117 PolarHBondContact O-N 3.37Å; E117-M119 VanDerWaalsContact C-N 3.26Å; E117-M119 PolarHBondContact O-N 2.96Å; E117-R120 WeakPolarHBondContact O-CB 3.44Å; E117-R120 PolarHBondContact O-N 2.93Å; E117-R120 VanDerWaalsContact O-N 3.16Å; E117-R120 WeakPolarHBondContact OE2-CD 3.5Å; E117-R120 IonicContact OE2-CZ 3.8Å; E117-R120 IonicContact OE2-NE 3.81Å; E117-R120 IonicContact OE2-NH1 2.72Å; E117-R120 PolarHBondContact OE2-NH1 3.33Å; E117-V121 WeakPolarHBondContact O-CG2 3.29Å; E117-V121 PolarHBondContact O-N 3.29Å; E117-V121 VanDerWaalsContact O-N 3.08Å
118	C	98.6	Very high	98.3	Very high	43 Å²	43	46.3 Å²	46.3	29%	0.291	24%	0.24	S	C	.	.	H	α-helix	trans	-58.7	-40.6	170.6	-64.7	0	0	0	0	111.8	D114 E115 V121 T122 F208	D114-C118 PolarHBondContact O-N 3.02Å; D114-C118 PolarHBondContact O-SG 2.88Å; E115-C118 WeakPolarHBondContact O-CB 3.3Å; E115-C118 PolarHBondContact O-N 3.33Å; C118-V121 PolarHBondContact O-N 3.3Å; C118-T122 PolarHBondContact O-N 3.41Å; C118-F208 HydrophobicContact CB-CB 4.46Å; C118-F208 HydrophobicContact CB-CD1 4.41Å; C118-F208 HydrophobicContact CB-CD2 3.32Å; C118-F208 HydrophobicContact CB-CE2 3.48Å; C118-F208 VanDerWaalsContact CB-CE2 3.48Å; C118-F208 HydrophobicContact CB-CG 3.83Å; C118-F208 HydrophobicContact CB-CZ 4.09Å
119	M	98.8	Very high	98.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-38.6	175.1	-69.2	-58.7	-72.3	0	0	112.8	L111 E115 I116 E117 V121 T122 G123 F208 H209 I276 H277 C303 T340 L359	L111-M119 HydrophobicContact CD1-CG 3.71Å; E115-M119 WeakPolarHBondContact O-CG 3.45Å; E115-M119 PolarHBondContact O-N 2.66Å; I116-M119 CarbonylContact O-C 3.58Å; I116-M119 WeakPolarHBondContact O-CA 3.27Å; I116-M119 WeakPolarHBondContact O-CB 3.38Å; I116-M119 PolarHBondContact O-N 3.07Å; I116-M119 VanDerWaalsContact O-N 3.16Å; E117-M119 VanDerWaalsContact C-N 3.26Å; E117-M119 PolarHBondContact O-N 2.96Å; M119-V121 VanDerWaalsContact C-N 3.34Å; M119-V121 PolarHBondContact O-N 3.43Å; M119-T122 HydrophobicContact SD-CG2 4.18Å; M119-G123 PolarHBondContact O-N 3.37Å; M119-F208 HydrophobicContact CG-CD1 4.02Å; M119-F208 HydrophobicContact SD-CB 3.88Å; M119-F208 HydrophobicContact SD-CD1 3.53Å; M119-F208 VanDerWaalsContact SD-CD1 3.53Å; M119-F208 HydrophobicContact SD-CE1 4.49Å; M119-F208 HydrophobicContact SD-CG 4.11Å; M119-H209 WeakPolarHBondContact CE-O 3.46Å; M119-I276 HydrophobicContact CE-CG1 4.45Å; M119-I276 HydrophobicContact CE-CG2 3.99Å; M119-I276 WeakPolarHBondContact CE-O 3.19Å; M119-H277 HydrophobicContact SD-CB 4.37Å; M119-C303 HydrophobicContact CE-CB 4.4Å; M119-C303 WeakPolarHBondContact CE-SG 3.47Å; M119-T340 HydrophobicContact CE-CG2 3.98Å; M119-L359 HydrophobicContact CB-CD1 3.55Å
120	R	98.6	Very high	98.5	Very high	64 Å²	64	42 Å²	42	24%	0.242	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-44.4	173.7	-71.1	-170.4	-175.2	96.2	11.9	111.6	I116 E117 K124 E357 L359	I116-R120 WeakPolarHBondContact O-CG 3.38Å; I116-R120 PolarHBondContact O-N 3.03Å; E117-R120 WeakPolarHBondContact O-CB 3.44Å; E117-R120 PolarHBondContact O-N 2.93Å; E117-R120 VanDerWaalsContact O-N 3.16Å; E117-R120 WeakPolarHBondContact OE2-CD 3.5Å; E117-R120 IonicContact OE2-CZ 3.8Å; E117-R120 IonicContact OE2-NE 3.81Å; E117-R120 IonicContact OE2-NH1 2.72Å; E117-R120 PolarHBondContact OE2-NH1 3.33Å; R120-K124 WeakPolarHBondContact O-CB 3.35Å; R120-K124 PolarHBondContact O-N 2.99Å; R120-E357 WeakPolarHBondContact CD-OE1 3.31Å; R120-E357 IonicContact CZ-OE2 2.98Å; R120-E357 IonicContact NE-OE1 2.78Å; R120-E357 PolarHBondContact NE-OE1 3.22Å; R120-E357 IonicContact NE-OE2 3.76Å; R120-E357 PolarHBondContact NE-OE2 2.94Å; R120-E357 IonicContact NH2-OE2 2.71Å; R120-E357 PolarHBondContact NH2-OE2 3.44Å; R120-L359 HydrophobicContact CG-CD2 3.88Å
121	V	98.7	Very high	98.6	Very high	56 Å²	56	39 Å²	39	34%	0.339	20%	0.197	S	C	.	.	H	α-helix	trans	-63.1	-55.6	179.5	175.6	0	0	0	0	110.3	E117 C118 M119 G123 K124 L125	E117-V121 WeakPolarHBondContact O-CG2 3.29Å; E117-V121 PolarHBondContact O-N 3.29Å; E117-V121 VanDerWaalsContact O-N 3.08Å; C118-V121 PolarHBondContact O-N 3.3Å; M119-V121 VanDerWaalsContact C-N 3.34Å; M119-V121 PolarHBondContact O-N 3.43Å; V121-G123 PolarHBondContact O-N 3Å; V121-K124 PolarHBondContact O-N 3.2Å; V121-L125 HydrophobicContact CG1-CD1 4.28Å; V121-L125 WeakPolarHBondContact O-CG 3.44Å; V121-L125 PolarHBondContact O-N 3.29Å
122	T	98.6	Very high	98.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-37.5	-177.8	-166.1	0	0	0	0	112.1	C118 M119 K124 L125 A126 T203 F208 H209 G210	C118-T122 PolarHBondContact O-N 3.41Å; M119-T122 HydrophobicContact SD-CG2 4.18Å; T122-K124 PolarHBondContact O-N 3.13Å; T122-L125 PolarHBondContact O-N 2.87Å; T122-L125 VanDerWaalsContact O-N 3.15Å; T122-A126 PolarHBondContact O-N 2.79Å; T122-T203 PolarHBondContact O-OG1 3.46Å; T122-T203 VanDerWaalsContact O-OG1 3.07Å; T122-T203 PolarHBondContact OG1-O 3.11Å; T122-T203 PolarHBondContact OG1-OG1 2.8Å; T122-T203 VanDerWaalsContact OG1-OG1 3.11Å; T122-F208 HydrophobicContact CG2-CB 4.06Å; T122-F208 PolarHBondContact OG1-O 3.21Å; T122-H209 WeakPolarHBondContact CG2-O 3.36Å; T122-G210 PolarHBondContact OG1-N 3.07Å
123	G	98.9	Very high	98.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-40.2	174.8	0	0	0	0	0	113.2	M119 V121 R127 L359 T360	M119-G123 PolarHBondContact O-N 3.37Å; V121-G123 PolarHBondContact O-N 3Å; G123-R127 PolarHBondContact O-N 3.5Å; G123-R127 VanDerWaalsContact O-N 3.08Å; G123-L359 CarbonylContact C-O 3.49Å; G123-L359 VanDerWaalsContact C-O 3.29Å; G123-T360 WeakPolarHBondContact O-CG2 3.17Å
124	K	98.8	Very high	98.7	Very high	123 Å²	123	34.5 Å²	34.5	54%	0.535	17%	0.17	S	C	.	.	H	α-helix	trans	-63.3	-43.6	172.5	-179.5	-174.5	170.9	-168.4	0	111.5	R120 V121 T122 R127 E128 L359	R120-K124 WeakPolarHBondContact O-CB 3.35Å; R120-K124 PolarHBondContact O-N 2.99Å; V121-K124 PolarHBondContact O-N 3.2Å; T122-K124 PolarHBondContact O-N 3.13Å; K124-R127 WeakPolarHBondContact O-CB 3.41Å; K124-R127 PolarHBondContact O-N 2.89Å; K124-E128 VanDerWaalsContact CE-OE1 3.31Å; K124-E128 WeakPolarHBondContact CE-OE1 3.47Å; K124-E128 WeakPolarHBondContact O-CG 3.44Å; K124-E128 PolarHBondContact O-N 2.96Å; K124-L359 PolarHBondContact N-O 2.99Å
125	L	98.9	Very high	98.7	Very high	23 Å²	23	32.9 Å²	32.9	12%	0.12	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-45.8	178.7	-64.5	178.4	0	0	0	111.4	V121 T122 R127 E128 V129 R157 H205	V121-L125 HydrophobicContact CG1-CD1 4.28Å; V121-L125 WeakPolarHBondContact O-CG 3.44Å; V121-L125 PolarHBondContact O-N 3.29Å; T122-L125 PolarHBondContact O-N 2.87Å; T122-L125 VanDerWaalsContact O-N 3.15Å; L125-R127 VanDerWaalsContact C-N 3.31Å; L125-R127 PolarHBondContact O-N 3.13Å; L125-E128 PolarHBondContact O-N 2.84Å; L125-E128 VanDerWaalsContact O-N 3.11Å; L125-V129 WeakPolarHBondContact O-CG2 3.46Å; L125-V129 PolarHBondContact O-N 3.42Å; L125-R157 HydrophobicContact CD2-CB 4.08Å; L125-R157 HydrophobicContact CD2-CG 4.14Å; L125-H205 HydrophobicContact CD1-CB 4.01Å
126	A	98.9	Very high	98.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.1	-44.8	176	0	0	0	0	0	111.9	T122 E128 V129 L130 I201 T203 G210 V212 T360	T122-A126 PolarHBondContact O-N 2.79Å; A126-E128 PolarHBondContact O-N 3.31Å; A126-V129 PolarHBondContact O-N 2.94Å; A126-L130 PolarHBondContact O-N 2.75Å; A126-I201 HydrophobicContact CB-CG2 4.45Å; A126-I201 WeakPolarHBondContact O-CG2 3.4Å; A126-T203 HydrophobicContact CB-CG2 4.12Å; A126-T203 PolarHBondContact N-OG1 2.84Å; A126-G210 VanDerWaalsContact CB-O 3.25Å; A126-G210 WeakPolarHBondContact CB-O 3.46Å; A126-V212 HydrophobicContact CB-CG1 3.91Å; A126-T360 HydrophobicContact CB-CG2 4.45Å
127	R	98.8	Very high	98.6	Very high	5 Å²	5	32.5 Å²	32.5	2%	0.019	16%	0.164	C	C	.	.	H	α-helix	trans	-56.5	-53	172.5	168.6	51.6	59.9	-178.1	5.6	111	G123 K124 L125 V129 L130 E131 E214 H339 T360	G123-R127 PolarHBondContact O-N 3.5Å; G123-R127 VanDerWaalsContact O-N 3.08Å; K124-R127 WeakPolarHBondContact O-CB 3.41Å; K124-R127 PolarHBondContact O-N 2.89Å; L125-R127 VanDerWaalsContact C-N 3.31Å; L125-R127 PolarHBondContact O-N 3.13Å; R127-V129 VanDerWaalsContact C-N 3.29Å; R127-V129 PolarHBondContact O-N 3.36Å; R127-L130 WeakPolarHBondContact O-CB 3.22Å; R127-L130 PolarHBondContact O-N 2.82Å; R127-L130 VanDerWaalsContact O-N 3.11Å; R127-E131 HydrophobicContact CG-CG 4.47Å; R127-E131 WeakPolarHBondContact O-CG 3.25Å; R127-E131 PolarHBondContact O-N 2.96Å; R127-E214 IonicContact CZ-OE1 3.83Å; R127-E214 IonicContact NH1-OE1 3.41Å; R127-E214 PolarHBondContact NH1-OE1 3.21Å; R127-E214 IonicContact NH2-OE1 2.87Å; R127-E214 PolarHBondContact NH2-OE1 3.24Å; R127-H339 PolarHBondContact NH2-CE1 3.41Å; R127-H339 VanDerWaalsContact NH2-CE1 3.32Å; R127-T360 PolarHBondContact NE-O 2.83Å; R127-T360 PolarHBondContact NH2-O 3.45Å; R127-T360 VanDerWaalsContact NH2-O 3.17Å
128	E	98.7	Very high	98.4	Very high	28 Å²	28	34.2 Å²	34.2	13%	0.131	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-37.8	-178.2	-69.9	-177.1	167.7	0	0	113	K124 L125 A126 E131 E132 R157 K365	K124-E128 VanDerWaalsContact CE-OE1 3.31Å; K124-E128 WeakPolarHBondContact CE-OE1 3.47Å; K124-E128 WeakPolarHBondContact O-CG 3.44Å; K124-E128 PolarHBondContact O-N 2.96Å; L125-E128 PolarHBondContact O-N 2.84Å; L125-E128 VanDerWaalsContact O-N 3.11Å; A126-E128 PolarHBondContact O-N 3.31Å; E128-E131 WeakPolarHBondContact O-CB 3.37Å; E128-E131 PolarHBondContact O-N 2.83Å; E128-E132 WeakPolarHBondContact O-CG 3.44Å; E128-E132 PolarHBondContact O-N 3.27Å; E128-R157 IonicContact OE2-NE 2.71Å; E128-R157 PolarHBondContact OE2-NE 2.91Å; E128-K365 IonicContact OE1-NZ 3.38Å; E128-K365 PolarHBondContact OE1-NZ 3.47Å
129	V	98.9	Very high	98.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.8	-42.3	174.5	172.6	0	0	0	0	111.2	L125 A126 R127 E131 E132 A133 A150 A153 I201 T203	L125-V129 WeakPolarHBondContact O-CG2 3.46Å; L125-V129 PolarHBondContact O-N 3.42Å; A126-V129 PolarHBondContact O-N 2.94Å; R127-V129 VanDerWaalsContact C-N 3.29Å; R127-V129 PolarHBondContact O-N 3.36Å; V129-E131 VanDerWaalsContact C-N 3.28Å; V129-E131 PolarHBondContact O-N 3.08Å; V129-E132 PolarHBondContact O-N 2.6Å; V129-A133 PolarHBondContact O-N 3Å; V129-A150 HydrophobicContact CG1-CB 4.15Å; V129-A153 HydrophobicContact CB-CB 4.4Å; V129-A153 HydrophobicContact CG1-CB 4.18Å; V129-A153 HydrophobicContact CG2-CB 4.02Å; V129-I201 HydrophobicContact CB-CG2 3.77Å; V129-I201 HydrophobicContact CG1-CD1 4.07Å; V129-I201 HydrophobicContact CG1-CG1 4.39Å; V129-I201 HydrophobicContact CG1-CG2 3.56Å; V129-T203 HydrophobicContact CG2-CG2 4.16Å
130	L	98.9	Very high	98	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.6	-38.3	173.9	179	62.2	0	0	0	111.8	A126 R127 A133 V134 I199 I201 V212 E214	A126-L130 PolarHBondContact O-N 2.75Å; R127-L130 WeakPolarHBondContact O-CB 3.22Å; R127-L130 PolarHBondContact O-N 2.82Å; R127-L130 VanDerWaalsContact O-N 3.11Å; L130-A133 PolarHBondContact O-N 2.91Å; L130-V134 HydrophobicContact CD1-CG2 3.84Å; L130-V134 HydrophobicContact CG-CG2 4.21Å; L130-V134 WeakPolarHBondContact O-CB 3.28Å; L130-V134 VanDerWaalsContact O-CG2 3.28Å; L130-V134 WeakPolarHBondContact O-CG2 3.39Å; L130-V134 PolarHBondContact O-N 2.69Å; L130-I199 HydrophobicContact CD1-CB 3.9Å; L130-I199 HydrophobicContact CD1-CG2 4.01Å; L130-I199 WeakPolarHBondContact CD1-O 3.23Å; L130-I201 HydrophobicContact CB-CB 4.24Å; L130-I201 HydrophobicContact CB-CG1 3.85Å; L130-I201 HydrophobicContact CD1-CG1 3.89Å; L130-I201 HydrophobicContact CG-CG1 4.46Å; L130-V212 HydrophobicContact CB-CG1 4.13Å; L130-V212 HydrophobicContact CD2-CB 4.38Å; L130-V212 HydrophobicContact CD2-CG1 3.9Å; L130-V212 HydrophobicContact CD2-CG2 3.79Å; L130-E214 HydrophobicContact CD2-CB 4.26Å; L130-E214 HydrophobicContact CD2-CG 4.01Å
131	E	98.6	Very high	97.8	Very high	22 Å²	22	32.3 Å²	32.3	10%	0.103	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-45.3	175.4	-64.9	-170.7	164.1	0	0	111.8	R127 E128 V129 N135 R362 Y390	R127-E131 HydrophobicContact CG-CG 4.47Å; R127-E131 WeakPolarHBondContact O-CG 3.25Å; R127-E131 PolarHBondContact O-N 2.96Å; E128-E131 WeakPolarHBondContact O-CB 3.37Å; E128-E131 PolarHBondContact O-N 2.83Å; V129-E131 VanDerWaalsContact C-N 3.28Å; V129-E131 PolarHBondContact O-N 3.08Å; E131-N135 WeakPolarHBondContact O-CB 3.17Å; E131-N135 PolarHBondContact O-N 2.91Å; E131-N135 PolarHBondContact O-ND2 3.36Å; E131-R362 WeakPolarHBondContact OE1-CG 3.49Å; E131-R362 IonicContact OE1-NE 2.77Å; E131-Y390 WeakPolarHBondContact CA-OH 3.37Å; E131-Y390 HydrophobicContact CB-CE2 4.4Å; E131-Y390 WeakPolarHBondContact CB-OH 3.32Å; E131-Y390 HydrophobicContact CG-CE2 3.88Å; E131-Y390 WeakPolarHBondContact CG-OH 3.46Å
132	E	98.6	Very high	97.8	Very high	80 Å²	80	30.5 Å²	30.5	37%	0.374	16%	0.155	S	C	.	.	H	α-helix	trans	-62.7	-46.8	176.1	-61.4	-69.3	-177.7	0	0	111.4	E128 V129 V134 N135 A136 V149 A153 R157	E128-E132 WeakPolarHBondContact O-CG 3.44Å; E128-E132 PolarHBondContact O-N 3.27Å; V129-E132 PolarHBondContact O-N 2.6Å; E132-V134 PolarHBondContact O-N 2.77Å; E132-N135 PolarHBondContact O-N 3.04Å; E132-A136 PolarHBondContact O-N 2.86Å; E132-V149 HydrophobicContact CB-CG1 3.99Å; E132-A153 HydrophobicContact CB-CB 4.12Å; E132-A153 HydrophobicContact CG-CB 4.03Å; E132-R157 IonicContact OE1-NH2 3.12Å; E132-R157 PolarHBondContact OE1-NH2 3.22Å
133	A	98.8	Very high	97.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.5	-45.7	179.6	0	0	0	0	0	111.9	V129 L130 N135 A136 I146 A150 I199 I201	V129-A133 PolarHBondContact O-N 3Å; L130-A133 PolarHBondContact O-N 2.91Å; A133-N135 VanDerWaalsContact C-N 3.34Å; A133-N135 PolarHBondContact O-N 3.49Å; A133-A136 WeakPolarHBondContact O-CB 3.17Å; A133-A136 PolarHBondContact O-N 2.87Å; A133-I146 HydrophobicContact CB-CG2 4.07Å; A133-A150 HydrophobicContact CB-CB 4.26Å; A133-I199 HydrophobicContact CB-CD1 4.32Å; A133-I199 HydrophobicContact CB-CG2 4.06Å; A133-I201 HydrophobicContact CB-CD1 4.47Å
134	V	98.7	Very high	97.8	Very high	10 Å²	10	30.9 Å²	30.9	6%	0.061	16%	0.157	C	C	.	.	H	α-helix	trans	-64.4	-38	176.6	169.7	0	0	0	0	111.6	L130 E132 A136 V137 I199 V216 Y390	L130-V134 HydrophobicContact CD1-CG2 3.84Å; L130-V134 HydrophobicContact CG-CG2 4.21Å; L130-V134 WeakPolarHBondContact O-CB 3.28Å; L130-V134 VanDerWaalsContact O-CG2 3.28Å; L130-V134 WeakPolarHBondContact O-CG2 3.39Å; L130-V134 PolarHBondContact O-N 2.69Å; E132-V134 PolarHBondContact O-N 2.77Å; V134-A136 PolarHBondContact O-N 3.38Å; V134-V137 VanDerWaalsContact O-CB 3.31Å; V134-V137 WeakPolarHBondContact O-CB 3.3Å; V134-V137 WeakPolarHBondContact O-CG2 3.43Å; V134-V137 PolarHBondContact O-N 3.39Å; V134-I199 HydrophobicContact CG2-CD1 4.11Å; V134-V216 HydrophobicContact CG1-CG1 3.89Å; V134-V216 HydrophobicContact CG2-CG1 4.08Å; V134-Y390 HydrophobicContact CB-CD1 4.42Å; V134-Y390 HydrophobicContact CB-CE1 4.41Å; V134-Y390 HydrophobicContact CB-CG 4.46Å; V134-Y390 HydrophobicContact CG1-CD1 3.44Å; V134-Y390 VanDerWaalsContact CG1-CD1 3.44Å; V134-Y390 HydrophobicContact CG1-CD2 4.16Å; V134-Y390 HydrophobicContact CG1-CE1 3.79Å; V134-Y390 HydrophobicContact CG1-CE2 4.48Å; V134-Y390 HydrophobicContact CG1-CG 3.63Å
135	N	97.5	Very high	97.8	Very high	96 Å²	96	28.2 Å²	28.2	51%	0.513	15%	0.146	S	C	.	.	H	α-helix	trans	-64.2	-24.2	177.5	-73.8	-28.2	0	0	0	113.1	E131 E132 A133	E131-N135 WeakPolarHBondContact O-CB 3.17Å; E131-N135 PolarHBondContact O-N 2.91Å; E131-N135 PolarHBondContact O-ND2 3.36Å; E132-N135 PolarHBondContact O-N 3.04Å; A133-N135 VanDerWaalsContact C-N 3.34Å; A133-N135 PolarHBondContact O-N 3.49Å
136	A	97.8	Very high	97.8	Very high	20 Å²	20	27.1 Å²	27.1	17%	0.165	14%	0.141	C	C	.	.	H	α-helix	trans	-77.3	-18.6	174.5	0	0	0	0	0	113.4	E132 A133 V134 K138 I146 V149	E132-A136 PolarHBondContact O-N 2.86Å; A133-A136 WeakPolarHBondContact O-CB 3.17Å; A133-A136 PolarHBondContact O-N 2.87Å; V134-A136 PolarHBondContact O-N 3.38Å; A136-K138 PolarHBondContact O-N 3.17Å; A136-K138 VanDerWaalsContact O-N 3.15Å; A136-I146 HydrophobicContact CB-CG1 4.47Å; A136-V149 HydrophobicContact CB-CB 4.41Å; A136-V149 HydrophobicContact CB-CG1 4.35Å; A136-V149 HydrophobicContact CB-CG2 4.02Å
137	V	98.1	Very high	97.8	Very high	17 Å²	17	27.2 Å²	27.2	10%	0.103	14%	0.141	C	C	.	.			trans	-65.5	112.5	-174.9	178.2	0	0	0	0	111.9	V134 I146 L191 L197 I199 V216 V218	V134-V137 VanDerWaalsContact O-CB 3.31Å; V134-V137 WeakPolarHBondContact O-CB 3.3Å; V134-V137 WeakPolarHBondContact O-CG2 3.43Å; V134-V137 PolarHBondContact O-N 3.39Å; V137-I146 HydrophobicContact CG2-CD1 3.83Å; V137-L191 HydrophobicContact CG1-CD1 4.07Å; V137-L197 HydrophobicContact CG1-CD2 4.32Å; V137-L197 HydrophobicContact CG2-CD2 3.88Å; V137-I199 HydrophobicContact CG2-CD1 3.61Å; V137-V216 HydrophobicContact CG1-CG2 4.2Å; V137-V216 HydrophobicContact CG2-CG2 4.15Å; V137-V218 HydrophobicContact CG1-CG2 3.93Å
138	K	93.7	Very high	97.8	Very high	131 Å²	131	30 Å²	30	57%	0.57	15%	0.152	S	C	*	.			trans	-148.3	157.1	174.4	-59.8	176.3	-172.8	161.4	0	110.1	A136 G140 V141	A136-K138 PolarHBondContact O-N 3.17Å; A136-K138 VanDerWaalsContact O-N 3.15Å; K138-G140 PolarHBondContact O-N 2.91Å; K138-V141 HydrophobicContact CB-CG2 3.93Å; K138-V141 WeakPolarHBondContact O-CB 3.43Å; K138-V141 PolarHBondContact O-N 3.37Å; K138-V141 VanDerWaalsContact O-N 3.08Å
139	V	96.9	Very high	97.8	Very high	26 Å²	26	29.8 Å²	29.8	16%	0.158	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	128.7	170.6	178.2	0	0	0	0	109.6	N193 V218	V139-N193 HydrophobicContact CG1-CB 4.47Å; V139-N193 HydrophobicContact CG2-CB 3.91Å; V139-V218 HydrophobicContact CG2-CG1 3.86Å
140	G	92.7	Very high	97.8	Very high	9 Å²	9	29.9 Å²	29.9	9%	0.093	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-9.3	-179.8	0	0	0	0	0	115.5	K138 L191	K138-G140 PolarHBondContact O-N 2.91Å; G140-L191 PolarHBondContact N-O 3.14Å
141	V	94.8	Very high	97.8	Very high	32 Å²	32	30.4 Å²	30.4	19%	0.194	16%	0.155	C	C	.	.			trans	-73.3	140.9	169.4	173.8	0	0	0	0	108.8	K138 E145 I146 L191	K138-V141 HydrophobicContact CB-CG2 3.93Å; K138-V141 WeakPolarHBondContact O-CB 3.43Å; K138-V141 PolarHBondContact O-N 3.37Å; K138-V141 VanDerWaalsContact O-N 3.08Å; V141-E145 HydrophobicContact CG1-CB 4Å; V141-E145 HydrophobicContact CG1-CG 3.91Å; V141-I146 HydrophobicContact CG1-CD1 4.46Å; V141-I146 HydrophobicContact CG1-CG1 4.08Å; V141-L191 WeakPolarHBondContact O-CB 3.3Å; V141-L191 VanDerWaalsContact O-CG 3.32Å; V141-L191 WeakPolarHBondContact O-CG 3.43Å; V141-L191 PolarHBondContact O-N 3.48Å
142	T	98.5	Very high	97.8	Very high	18 Å²	18	33.3 Å²	33.3	11%	0.11	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-86.7	154.8	177.2	59.9	0	0	0	0	111.1	D144 E145 I146 M188 R189 P190	T142-D144 PolarHBondContact O-N 3.06Å; T142-E145 WeakPolarHBondContact O-CB 3.19Å; T142-E145 PolarHBondContact O-N 3.04Å; T142-E145 VanDerWaalsContact O-N 3.17Å; T142-E145 WeakPolarHBondContact OG1-CB 3.34Å; T142-E145 PolarHBondContact OG1-N 2.99Å; T142-I146 PolarHBondContact O-N 2.9Å; T142-M188 HydrophobicContact CG2-CE 4.23Å; T142-M188 VanDerWaalsContact CG2-O 3.3Å; T142-M188 WeakPolarHBondContact CG2-O 3.18Å; T142-R189 WeakPolarHBondContact CA-O 3.44Å; T142-P190 HydrophobicContact CG2-CG 4.5Å
143	T	98.6	Very high	97.8	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-65.6	-30.1	173	49.5	0	0	0	0	111.4	E145 I146 D147 T175 V177 D187 R189 L191 L197	T143-E145 VanDerWaalsContact C-N 3.29Å; T143-E145 PolarHBondContact O-N 3.49Å; T143-I146 WeakPolarHBondContact O-CB 3.41Å; T143-I146 PolarHBondContact O-N 3.3Å; T143-I146 VanDerWaalsContact O-N 3.13Å; T143-D147 PolarHBondContact O-N 3.38Å; T143-T175 VanDerWaalsContact CB-OG1 3.27Å; T143-T175 WeakPolarHBondContact CB-OG1 3.39Å; T143-T175 HydrophobicContact CG2-CG2 4.1Å; T143-V177 HydrophobicContact CG2-CG2 4.04Å; T143-D187 PolarHBondContact N-O 2.97Å; T143-D187 PolarHBondContact OG1-N 2.95Å; T143-D187 PolarHBondContact OG1-O 2.81Å; T143-D187 VanDerWaalsContact OG1-O 3.04Å; T143-D187 PolarHBondContact OG1-OD1 3.15Å; T143-R189 PolarHBondContact N-O 2.92Å; T143-L191 HydrophobicContact CG2-CD2 3.99Å; T143-L197 HydrophobicContact CG2-CD1 4.37Å
144	D	98.6	Very high	97.8	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.027	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-33.1	171.3	-160.7	97.2	0	0	0	113.5	T76 R79 T142 D147 R148 K171 D187 M188	T76-D144 WeakPolarHBondContact CB-OD2 3.32Å; T76-D144 WeakPolarHBondContact CG2-OD2 3.48Å; T76-D144 PolarHBondContact N-OD1 3.11Å; T76-D144 VanDerWaalsContact N-OD1 3.17Å; T76-D144 PolarHBondContact OG1-OD1 2.76Å; T76-D144 PolarHBondContact OG1-OD2 3.4Å; R79-D144 IonicContact NH2-OD2 2.69Å; R79-D144 PolarHBondContact NH2-OD2 3.39Å; T142-D144 PolarHBondContact O-N 3.06Å; D144-D147 WeakPolarHBondContact O-CB 3.38Å; D144-D147 PolarHBondContact O-N 2.73Å; D144-R148 PolarHBondContact O-N 3.39Å; D144-K171 WeakPolarHBondContact OD1-CE 3.26Å; D144-K171 IonicContact OD1-NZ 2.83Å; D144-K171 PolarHBondContact OD1-NZ 3.39Å; D144-D187 VanDerWaalsContact CB-O 3.3Å; D144-D187 WeakPolarHBondContact CB-O 3.45Å; D144-D187 PolarHBondContact N-O 2.54Å; D144-M188 HydrophobicContact CB-SD 3.8Å
145	E	98.5	Very high	97.8	Very high	68 Å²	68	30.7 Å²	30.7	32%	0.318	16%	0.157	S	C	.	.	H	α-helix	trans	-73.1	-35.3	173.9	174.8	58.7	-168.8	0	0	111.4	V141 T142 T143 D147 R148 V149	V141-E145 HydrophobicContact CG1-CB 4Å; V141-E145 HydrophobicContact CG1-CG 3.91Å; T142-E145 WeakPolarHBondContact O-CB 3.19Å; T142-E145 PolarHBondContact O-N 3.04Å; T142-E145 VanDerWaalsContact O-N 3.17Å; T142-E145 WeakPolarHBondContact OG1-CB 3.34Å; T142-E145 PolarHBondContact OG1-N 2.99Å; T143-E145 VanDerWaalsContact C-N 3.29Å; T143-E145 PolarHBondContact O-N 3.49Å; E145-D147 VanDerWaalsContact C-N 3.34Å; E145-R148 VanDerWaalsContact CD-NE 3.3Å; E145-R148 WeakPolarHBondContact O-CB 3.41Å; E145-R148 PolarHBondContact O-N 2.72Å; E145-R148 IonicContact OE1-CZ 3.88Å; E145-R148 VanDerWaalsContact OE1-CZ 3.32Å; E145-R148 IonicContact OE1-NE 3.29Å; E145-R148 PolarHBondContact OE1-NE 2.97Å; E145-R148 VanDerWaalsContact OE1-NE 3.12Å; E145-R148 IonicContact OE1-NH2 2.74Å; E145-R148 PolarHBondContact OE1-NH2 2.99Å; E145-R148 IonicContact OE2-CZ 3.02Å; E145-R148 IonicContact OE2-NE 3.18Å; E145-R148 PolarHBondContact OE2-NE 3.01Å; E145-R148 IonicContact OE2-NH2 3.57Å; E145-V149 WeakPolarHBondContact O-CG2 3.43Å; E145-V149 PolarHBondContact O-N 3.5Å
146	I	98.8	Very high	97.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.1	-41.4	171.8	-67.3	167.6	0	0	0	110.3	A133 A136 V137 V141 T142 T143 R148 V149 A150 T175 L191 L197 I199	A133-I146 HydrophobicContact CB-CG2 4.07Å; A136-I146 HydrophobicContact CB-CG1 4.47Å; V137-I146 HydrophobicContact CG2-CD1 3.83Å; V141-I146 HydrophobicContact CG1-CD1 4.46Å; V141-I146 HydrophobicContact CG1-CG1 4.08Å; T142-I146 PolarHBondContact O-N 2.9Å; T143-I146 WeakPolarHBondContact O-CB 3.41Å; T143-I146 PolarHBondContact O-N 3.3Å; T143-I146 VanDerWaalsContact O-N 3.13Å; I146-R148 VanDerWaalsContact C-N 3.32Å; I146-R148 PolarHBondContact O-N 2.96Å; I146-V149 PolarHBondContact O-N 2.72Å; I146-A150 WeakPolarHBondContact O-CB 3.41Å; I146-A150 PolarHBondContact O-N 2.82Å; I146-T175 HydrophobicContact CG2-CG2 4.24Å; I146-L191 HydrophobicContact CD1-CD1 3.68Å; I146-L197 HydrophobicContact CD1-CD2 3.66Å; I146-I199 HydrophobicContact CG2-CD1 3.85Å; I146-I199 HydrophobicContact CG2-CG1 4.45Å; I146-I199 HydrophobicContact CG2-CG2 4.38Å
147	D	98.9	Very high	97.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-59	-41.9	171.7	169.8	78.3	0	0	0	112.1	R79 T143 D144 E145 V149 A150 H151 K171 S172 P186	R79-D147 IonicContact NE-OD2 2.84Å; R79-D147 PolarHBondContact NE-OD2 2.88Å; T143-D147 PolarHBondContact O-N 3.38Å; D144-D147 WeakPolarHBondContact O-CB 3.38Å; D144-D147 PolarHBondContact O-N 2.73Å; E145-D147 VanDerWaalsContact C-N 3.34Å; D147-V149 PolarHBondContact O-N 3.4Å; D147-A150 PolarHBondContact O-N 2.86Å; D147-H151 WeakPolarHBondContact O-CB 3.3Å; D147-H151 PolarHBondContact O-N 3.25Å; D147-K171 WeakPolarHBondContact OD1-CB 3.28Å; D147-S172 WeakPolarHBondContact OD1-CA 3.49Å; D147-S172 VanDerWaalsContact OD1-CB 3.26Å; D147-S172 WeakPolarHBondContact OD1-CB 3.25Å; D147-S172 PolarHBondContact OD1-N 3.12Å; D147-S172 PolarHBondContact OD1-OG 2.83Å; D147-P186 HydrophobicContact CB-CB 3.57Å; D147-P186 HydrophobicContact CB-CG 3.84Å
148	R	98.8	Very high	97.9	Very high	64 Å²	64	37.4 Å²	37.4	24%	0.242	18%	0.179	C	C	.	.	H	α-helix	trans	-57.4	-50.1	174.2	-170.1	-169.4	65.9	69.6	11.3	111.5	D144 E145 I146 H151 E152	D144-R148 PolarHBondContact O-N 3.39Å; E145-R148 VanDerWaalsContact CD-NE 3.3Å; E145-R148 WeakPolarHBondContact O-CB 3.41Å; E145-R148 PolarHBondContact O-N 2.72Å; E145-R148 IonicContact OE1-CZ 3.88Å; E145-R148 VanDerWaalsContact OE1-CZ 3.32Å; E145-R148 IonicContact OE1-NE 3.29Å; E145-R148 PolarHBondContact OE1-NE 2.97Å; E145-R148 VanDerWaalsContact OE1-NE 3.12Å; E145-R148 IonicContact OE1-NH2 2.74Å; E145-R148 PolarHBondContact OE1-NH2 2.99Å; E145-R148 IonicContact OE2-CZ 3.02Å; E145-R148 IonicContact OE2-NE 3.18Å; E145-R148 PolarHBondContact OE2-NE 3.01Å; E145-R148 IonicContact OE2-NH2 3.57Å; I146-R148 VanDerWaalsContact C-N 3.32Å; I146-R148 PolarHBondContact O-N 2.96Å; R148-H151 PolarHBondContact O-N 3.02Å; R148-E152 WeakPolarHBondContact CG-OE1 3.28Å; R148-E152 IonicContact CZ-OE1 2.66Å; R148-E152 IonicContact CZ-OE2 2.76Å; R148-E152 IonicContact NH1-OE1 3.97Å; R148-E152 PolarHBondContact NH1-OE1 3.4Å; R148-E152 IonicContact NH1-OE2 3.58Å; R148-E152 PolarHBondContact NH1-OE2 3.26Å; R148-E152 WeakPolarHBondContact O-CG 3.27Å; R148-E152 PolarHBondContact O-N 3.15Å
149	V	98.9	Very high	98.1	Very high	24 Å²	24	31.1 Å²	31.1	15%	0.145	15%	0.152	C	C	.	.	H	α-helix	trans	-61.6	-47.4	-179.7	171.4	0	0	0	0	110.8	E132 A136 E145 I146 D147 H151 E152 A153	E132-V149 HydrophobicContact CB-CG1 3.99Å; A136-V149 HydrophobicContact CB-CB 4.41Å; A136-V149 HydrophobicContact CB-CG1 4.35Å; A136-V149 HydrophobicContact CB-CG2 4.02Å; E145-V149 WeakPolarHBondContact O-CG2 3.43Å; E145-V149 PolarHBondContact O-N 3.5Å; I146-V149 PolarHBondContact O-N 2.72Å; D147-V149 PolarHBondContact O-N 3.4Å; V149-H151 PolarHBondContact O-N 3.03Å; V149-E152 PolarHBondContact O-N 3.21Å; V149-A153 VanDerWaalsContact O-CB 3.25Å; V149-A153 WeakPolarHBondContact O-CB 3.27Å; V149-A153 PolarHBondContact O-N 3.13Å
150	A	98.9	Very high	98.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-61.2	-44.3	177.2	0	0	0	0	0	111.7	V129 A133 I146 D147 A153 C154 C173 I201	V129-A150 HydrophobicContact CG1-CB 4.15Å; A133-A150 HydrophobicContact CB-CB 4.26Å; I146-A150 WeakPolarHBondContact O-CB 3.41Å; I146-A150 PolarHBondContact O-N 2.82Å; D147-A150 PolarHBondContact O-N 2.86Å; A150-A153 PolarHBondContact O-N 3.32Å; A150-C154 PolarHBondContact O-N 3.49Å; A150-C154 PolarHBondContact O-SG 2.84Å; A150-C154 VanDerWaalsContact O-SG 3.34Å; A150-C173 HydrophobicContact CB-CB 4.24Å; A150-I201 HydrophobicContact CB-CD1 3.79Å
151	H	98.9	Very high	98.4	Very high	12 Å²	12	29.7 Å²	29.7	6%	0.056	14%	0.141	C	C	.	.	H	α-helix	trans	-58.9	-54.5	177.6	-174.7	91.3	0	0	0	111.2	R79 E80 D147 R148 V149 A153 C154 I155 S172	R79-H151 VanDerWaalsContact CB-CE1 3.42Å; R79-H151 WeakPolarHBondContact CB-CE1 3.26Å; E80-H151 PolarHBondContact O-NE2 2.88Å; E80-H151 VanDerWaalsContact O-NE2 3.11Å; D147-H151 WeakPolarHBondContact O-CB 3.3Å; D147-H151 PolarHBondContact O-N 3.25Å; R148-H151 PolarHBondContact O-N 3.02Å; V149-H151 PolarHBondContact O-N 3.03Å; H151-A153 VanDerWaalsContact C-N 3.33Å; H151-A153 PolarHBondContact O-N 2.96Å; H151-C154 WeakPolarHBondContact O-CB 3.49Å; H151-C154 PolarHBondContact O-N 3.01Å; H151-C154 VanDerWaalsContact O-N 3.09Å; H151-I155 WeakPolarHBondContact O-CG1 3.16Å; H151-I155 PolarHBondContact O-N 3.36Å; H151-S172 WeakPolarHBondContact CB-OG 3.42Å; H151-S172 PolarHBondContact ND1-OG 2.88Å
152	E	98.8	Very high	98.6	Very high	82 Å²	82	28.2 Å²	28.2	38%	0.383	13%	0.132	S	C	.	.	H	α-helix	trans	-60.5	-42.7	179.9	-73.6	173.8	-163.5	0	0	111.8	R148 V149 C154 I155 E156	R148-E152 WeakPolarHBondContact CG-OE1 3.28Å; R148-E152 IonicContact CZ-OE1 2.66Å; R148-E152 IonicContact CZ-OE2 2.76Å; R148-E152 IonicContact NH1-OE1 3.97Å; R148-E152 PolarHBondContact NH1-OE1 3.4Å; R148-E152 IonicContact NH1-OE2 3.58Å; R148-E152 PolarHBondContact NH1-OE2 3.26Å; R148-E152 WeakPolarHBondContact O-CG 3.27Å; R148-E152 PolarHBondContact O-N 3.15Å; V149-E152 PolarHBondContact O-N 3.21Å; E152-C154 PolarHBondContact O-N 2.98Å; E152-I155 PolarHBondContact O-N 3.12Å; E152-I155 VanDerWaalsContact O-N 3.08Å; E152-E156 WeakPolarHBondContact O-CB 3.23Å; E152-E156 WeakPolarHBondContact O-CG 3.28Å; E152-E156 PolarHBondContact O-N 2.65Å
153	A	98.8	Very high	98.7	Very high	3 Å²	3	27.7 Å²	27.7	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-59.6	-35.2	175.6	0	0	0	0	0	112.4	V129 E132 V149 A150 H151 R157	V129-A153 HydrophobicContact CB-CB 4.4Å; V129-A153 HydrophobicContact CG1-CB 4.18Å; V129-A153 HydrophobicContact CG2-CB 4.02Å; E132-A153 HydrophobicContact CB-CB 4.12Å; E132-A153 HydrophobicContact CG-CB 4.03Å; V149-A153 VanDerWaalsContact O-CB 3.25Å; V149-A153 WeakPolarHBondContact O-CB 3.27Å; V149-A153 PolarHBondContact O-N 3.13Å; A150-A153 PolarHBondContact O-N 3.32Å; H151-A153 VanDerWaalsContact C-N 3.33Å; H151-A153 PolarHBondContact O-N 2.96Å; A153-R157 WeakPolarHBondContact O-CB 3.48Å; A153-R157 WeakPolarHBondContact O-CD 3.42Å; A153-R157 WeakPolarHBondContact O-CG 3.18Å; A153-R157 PolarHBondContact O-N 3.44Å; A153-R157 PolarHBondContact O-NH1 3.01Å
154	C	98.9	Very high	98.7	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.02	13%	0.128	C	C	.	.	H	α-helix	trans	-66	-48.5	171.8	-72.6	0	0	0	0	111.9	A150 H151 E152 E156 R157 E158 C159 P161	A150-C154 PolarHBondContact O-N 3.49Å; A150-C154 PolarHBondContact O-SG 2.84Å; A150-C154 VanDerWaalsContact O-SG 3.34Å; H151-C154 WeakPolarHBondContact O-CB 3.49Å; H151-C154 PolarHBondContact O-N 3.01Å; H151-C154 VanDerWaalsContact O-N 3.09Å; E152-C154 PolarHBondContact O-N 2.98Å; C154-E156 VanDerWaalsContact C-N 3.33Å; C154-E156 PolarHBondContact O-N 3.25Å; C154-R157 CarbonylContact O-C 3.48Å; C154-R157 PolarHBondContact O-N 2.82Å; C154-E158 PolarHBondContact O-N 3.07Å; C154-C159 CarbonylContact C-O 3.52Å; C154-C159 WeakPolarHBondContact CA-SG 3.15Å; C154-C159 VanDerWaalsContact CB-SG 3.56Å; C154-C159 PolarHBondContact O-N 3.35Å; C154-C159 PolarHBondContact O-SG 2.85Å; C154-P161 HydrophobicContact CB-CB 4.44Å
155	I	98.6	Very high	98.7	Very high	30 Å²	30	28 Å²	28	15%	0.154	13%	0.13	C	C	.	.	H	α-helix	trans	-62.6	-39.9	-177.9	-57.3	-50.1	0	0	0	112.1	V81 K82 I85 H151 E152 R157 E158	V81-I155 HydrophobicContact CB-CD1 4.11Å; V81-I155 HydrophobicContact CG1-CD1 3.69Å; V81-I155 HydrophobicContact CG2-CD1 4.03Å; K82-I155 HydrophobicContact CD-CG2 3.84Å; K82-I155 HydrophobicContact CG-CG2 4.26Å; K82-I155 PolarHBondContact NZ-O 2.88Å; I85-I155 HydrophobicContact CD1-CB 4.48Å; I85-I155 HydrophobicContact CD1-CD1 3.76Å; I85-I155 HydrophobicContact CD1-CG2 4.25Å; H151-I155 WeakPolarHBondContact O-CG1 3.16Å; H151-I155 PolarHBondContact O-N 3.36Å; E152-I155 PolarHBondContact O-N 3.12Å; E152-I155 VanDerWaalsContact O-N 3.08Å; I155-R157 PolarHBondContact O-N 2.84Å; I155-E158 PolarHBondContact O-N 2.96Å
156	E	98.5	Very high	98.7	Very high	135 Å²	135	25.8 Å²	25.8	63%	0.631	12%	0.119	S	C	*	.	H	α-helix	trans	-62.4	-29.2	175.5	-73.8	175.2	174.9	0	0	112.4	E152 C154	E152-E156 WeakPolarHBondContact O-CB 3.23Å; E152-E156 WeakPolarHBondContact O-CG 3.28Å; E152-E156 PolarHBondContact O-N 2.65Å; C154-E156 VanDerWaalsContact C-N 3.33Å; C154-E156 PolarHBondContact O-N 3.25Å
157	R	98.2	Very high	98.6	Very high	47 Å²	47	29.6 Å²	29.6	18%	0.177	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	14.1	-179.8	-72.3	169.9	-178	75.9	-5.6	113.3	L125 E128 E132 A153 C154 I155 C159	L125-R157 HydrophobicContact CD2-CB 4.08Å; L125-R157 HydrophobicContact CD2-CG 4.14Å; E128-R157 IonicContact OE2-NE 2.71Å; E128-R157 PolarHBondContact OE2-NE 2.91Å; E132-R157 IonicContact OE1-NH2 3.12Å; E132-R157 PolarHBondContact OE1-NH2 3.22Å; A153-R157 WeakPolarHBondContact O-CB 3.48Å; A153-R157 WeakPolarHBondContact O-CD 3.42Å; A153-R157 WeakPolarHBondContact O-CG 3.18Å; A153-R157 PolarHBondContact O-N 3.44Å; A153-R157 PolarHBondContact O-NH1 3.01Å; C154-R157 CarbonylContact O-C 3.48Å; C154-R157 PolarHBondContact O-N 2.82Å; I155-R157 PolarHBondContact O-N 2.84Å; R157-C159 PolarHBondContact O-N 2.94Å
158	E	98.2	Very high	98.5	Very high	91 Å²	91	34.5 Å²	34.5	43%	0.425	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	31.1	-178.3	-58.6	-63.1	150	0	0	113.8	K82 C154 I155 H205	K82-E158 WeakPolarHBondContact CE-OE1 3.41Å; K82-E158 WeakPolarHBondContact CE-OE2 3.34Å; K82-E158 IonicContact NZ-OE1 3.31Å; K82-E158 PolarHBondContact NZ-OE1 3.07Å; K82-E158 IonicContact NZ-OE2 2.79Å; K82-E158 PolarHBondContact NZ-OE2 3.45Å; C154-E158 PolarHBondContact O-N 3.07Å; I155-E158 PolarHBondContact O-N 2.96Å; E158-H205 PolarHBondContact O-CD2 2.98Å
159	C	97.6	Very high	98.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.151	C	C	.	.			trans	-116.3	146	179.8	67.2	0	0	0	0	112	C154 R157 T203 Y204 H205	C154-C159 CarbonylContact C-O 3.52Å; C154-C159 WeakPolarHBondContact CA-SG 3.15Å; C154-C159 VanDerWaalsContact CB-SG 3.56Å; C154-C159 PolarHBondContact O-N 3.35Å; C154-C159 PolarHBondContact O-SG 2.85Å; R157-C159 PolarHBondContact O-N 2.94Å; C159-T203 HydrophobicContact CB-CG2 4.47Å; C159-T203 VanDerWaalsContact SG-CG2 3.6Å; C159-Y204 CarbonylContact C-O 3.29Å; C159-Y204 WeakPolarHBondContact CA-O 3.39Å; C159-Y204 WeakPolarHBondContact CB-O 3.3Å; C159-H205 HydrophobicContact CB-CB 3.97Å
160	Y	98.8	Very high	98.4	Very high	5 Å²	5	32.2 Å²	32.2	2%	0.02	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	130.1	173.1	-173.8	-79.9	0	0	0	108.9	V81 Y87 P88 A91 S162 L164 Y204	V81-Y160 HydrophobicContact CB-CD2 4.16Å; V81-Y160 HydrophobicContact CB-CE2 4.13Å; V81-Y160 HydrophobicContact CG1-CD2 3.86Å; V81-Y160 HydrophobicContact CG1-CE2 4.34Å; V81-Y160 HydrophobicContact CG2-CD2 3.92Å; V81-Y160 HydrophobicContact CG2-CE2 3.76Å; Y87-Y160 HydrophobicContact CD1-CD2 4.43Å; Y87-Y160 HydrophobicContact CD1-CE2 4.05Å; Y87-Y160 AromaticContact CD2-CD2 3.66Å; Y87-Y160 HydrophobicContact CD2-CD2 3.66Å; Y87-Y160 HydrophobicContact CD2-CE2 4.09Å; Y87-Y160 HydrophobicContact CE1-CE2 4.15Å; Y87-Y160 AromaticContact CE2-CD2 3.95Å; Y87-Y160 HydrophobicContact CE2-CD2 3.95Å; Y87-Y160 HydrophobicContact CE2-CE2 4.24Å; Y87-Y160 AromaticContact CG-CD2 3.96Å; Y87-Y160 HydrophobicContact CG-CD2 3.96Å; Y87-Y160 HydrophobicContact CG-CE2 4.03Å; P88-Y160 HydrophobicContact CG-CD1 3.73Å; P88-Y160 HydrophobicContact CG-CE1 3.91Å; P88-Y160 HydrophobicContact CG-CG 4.28Å; A91-Y160 WeakPolarHBondContact CA-OH 3.5Å; A91-Y160 HydrophobicContact CB-CD2 4.41Å; A91-Y160 HydrophobicContact CB-CE1 4.24Å; A91-Y160 HydrophobicContact CB-CE2 3.58Å; A91-Y160 VanDerWaalsContact CB-CZ 3.49Å; A91-Y160 WeakPolarHBondContact CB-OH 3.35Å; Y160-S162 PolarHBondContact O-N 3.34Å; Y160-S162 VanDerWaalsContact O-N 3.1Å; Y160-L164 HydrophobicContact CE1-CB 3.94Å; Y160-L164 WeakPolarHBondContact CE1-O 3.49Å; Y160-L164 PolarHBondContact OH-O 3.41Å; Y160-Y204 PolarHBondContact N-O 3.15Å; Y160-Y204 PolarHBondContact O-N 3.37Å
161	P	98.9	Very high	98.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	105.4	173	26	-31	0	0	0	110.1	V81 C154 P163 L164 S172	V81-P161 HydrophobicContact CG2-CG 4.36Å; C154-P161 HydrophobicContact CB-CB 4.44Å; P161-P163 VanDerWaalsContact C-N 3.33Å; P161-L164 HydrophobicContact CB-CB 4.42Å; P161-L164 HydrophobicContact CG-CB 3.91Å; P161-L164 HydrophobicContact CG-CD2 3.95Å; P161-L164 WeakPolarHBondContact O-CB 3.3Å; P161-L164 PolarHBondContact O-N 3.39Å; P161-S172 WeakPolarHBondContact CB-O 3.41Å
162	S	98.9	Very high	98.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-35.3	-169.1	-42.3	0	0	0	0	114.9	Y90 Y160 L164 T202 T203 Y204 H209	Y90-S162 WeakPolarHBondContact CE2-O 3.31Å; Y90-S162 WeakPolarHBondContact OH-CA 3.46Å; Y90-S162 WeakPolarHBondContact OH-CB 3.26Å; Y90-S162 PolarHBondContact OH-O 2.87Å; Y160-S162 PolarHBondContact O-N 3.34Å; Y160-S162 VanDerWaalsContact O-N 3.1Å; S162-L164 PolarHBondContact O-N 3.17Å; S162-T202 PolarHBondContact N-O 3.13Å; S162-T202 WeakPolarHBondContact OG-CG2 3.37Å; S162-T202 PolarHBondContact OG-O 3.25Å; S162-T202 VanDerWaalsContact OG-O 3.11Å; S162-T203 VanDerWaalsContact OG-C 3.3Å; S162-Y204 PolarHBondContact OG-N 3.48Å; S162-H209 WeakPolarHBondContact CB-ND1 3.38Å; S162-H209 PolarHBondContact OG-ND1 3.28Å
163	P	98.9	Very high	98.4	Very high	7 Å²	7	28 Å²	28	5%	0.045	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.4	175.9	-25.5	36.8	0	0	0	113	P161 N165 Y166 F169 K171 S172 F280	P161-P163 VanDerWaalsContact C-N 3.33Å; P163-N165 PolarHBondContact O-N 3.13Å; P163-N165 VanDerWaalsContact O-N 3.08Å; P163-Y166 WeakPolarHBondContact O-CB 3.38Å; P163-Y166 PolarHBondContact O-N 3.23Å; P163-F169 HydrophobicContact CB-CD1 3.79Å; P163-F169 HydrophobicContact CB-CE1 3.99Å; P163-F169 WeakPolarHBondContact O-CB 3.31Å; P163-F169 WeakPolarHBondContact O-CD1 3.4Å; P163-K171 CarbonylContact C-O 3.43Å; P163-S172 WeakPolarHBondContact CD-O 3.39Å; P163-F280 HydrophobicContact CG-CZ 4.45Å
164	L	98.8	Very high	98.4	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.016	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	120.1	-174.9	-169.1	67.1	0	0	0	110.5	K78 V81 Y160 P161 S162 Y166 K171	K78-L164 HydrophobicContact CD-CD1 4Å; K78-L164 HydrophobicContact CD-CG 4.45Å; K78-L164 HydrophobicContact CG-CD1 3.65Å; K78-L164 HydrophobicContact CG-CG 4.47Å; V81-L164 HydrophobicContact CG2-CD2 3.61Å; Y160-L164 HydrophobicContact CE1-CB 3.94Å; Y160-L164 WeakPolarHBondContact CE1-O 3.49Å; Y160-L164 PolarHBondContact OH-O 3.41Å; P161-L164 HydrophobicContact CB-CB 4.42Å; P161-L164 HydrophobicContact CG-CB 3.91Å; P161-L164 HydrophobicContact CG-CD2 3.95Å; P161-L164 WeakPolarHBondContact O-CB 3.3Å; P161-L164 PolarHBondContact O-N 3.39Å; S162-L164 PolarHBondContact O-N 3.17Å; L164-Y166 PolarHBondContact O-N 3.12Å; L164-Y166 VanDerWaalsContact O-N 3.07Å; L164-K171 WeakPolarHBondContact CA-O 3.44Å; L164-K171 PolarHBondContact N-O 3.17Å
165	N	98.5	Very high	98.4	Very high	13 Å²	13	28.4 Å²	28.4	7%	0.07	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	1.5	-177.4	-148.1	64.9	0	0	0	115.3	K78 Y90 A91 I92 G94 P163 F167 N168 F169	K78-N165 PolarHBondContact NZ-OD1 2.7Å; Y90-N165 PolarHBondContact O-ND2 2.83Å; Y90-N165 VanDerWaalsContact O-ND2 3.08Å; A91-N165 PolarHBondContact O-ND2 2.87Å; I92-N165 PolarHBondContact O-ND2 3.05Å; G94-N165 WeakPolarHBondContact CA-ND2 3.25Å; G94-N165 WeakPolarHBondContact CA-O 3.4Å; G94-N165 PolarHBondContact N-ND2 3.09Å; P163-N165 PolarHBondContact O-N 3.13Å; P163-N165 VanDerWaalsContact O-N 3.08Å; N165-F167 PolarHBondContact O-N 2.71Å; N165-F167 VanDerWaalsContact O-N 3.15Å; N165-N168 PolarHBondContact O-N 3.38Å; N165-F169 VanDerWaalsContact CA-O 3.24Å; N165-F169 WeakPolarHBondContact CA-O 3.29Å; N165-F169 PolarHBondContact N-O 2.68Å
166	Y	98.4	Very high	98.5	Very high	20 Å²	20	27.1 Å²	27.1	8%	0.078	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-61.9	116.5	174.4	-177.7	-111.3	0	0	0	109.9	Y90 P96 E99 P163 L164 N168 F169 F280 H281 W324	Y90-Y166 AromaticContact CD1-CD2 3.82Å; Y90-Y166 HydrophobicContact CD1-CD2 3.82Å; Y90-Y166 HydrophobicContact CD1-CE2 4.35Å; Y90-Y166 HydrophobicContact CD2-CD2 4.03Å; Y90-Y166 AromaticContact CE1-CD2 3.65Å; Y90-Y166 HydrophobicContact CE1-CD2 3.65Å; Y90-Y166 HydrophobicContact CE1-CE2 4.18Å; Y90-Y166 AromaticContact CE2-CD2 3.89Å; Y90-Y166 HydrophobicContact CE2-CD2 3.89Å; Y90-Y166 HydrophobicContact CE2-CG 4.27Å; Y90-Y166 AromaticContact CG-CD2 3.98Å; Y90-Y166 HydrophobicContact CG-CD2 3.98Å; Y90-Y166 AromaticContact CZ-CD2 3.68Å; P96-Y166 HydrophobicContact CB-CD2 4.24Å; P96-Y166 HydrophobicContact CB-CE2 3.76Å; P96-Y166 HydrophobicContact CG-CD2 4.27Å; P96-Y166 HydrophobicContact CG-CE2 3.72Å; E99-Y166 WeakPolarHBondContact OE2-CE2 3.5Å; E99-Y166 PolarHBondContact OE2-OH 2.85Å; P163-Y166 WeakPolarHBondContact O-CB 3.38Å; P163-Y166 PolarHBondContact O-N 3.23Å; L164-Y166 PolarHBondContact O-N 3.12Å; L164-Y166 VanDerWaalsContact O-N 3.07Å; Y166-N168 PolarHBondContact O-N 3.04Å; Y166-F169 VanDerWaalsContact O-CB 3.3Å; Y166-F169 WeakPolarHBondContact O-CB 3.46Å; Y166-F169 PolarHBondContact O-N 3.27Å; Y166-F280 HydrophobicContact CD1-CD1 4.29Å; Y166-F280 HydrophobicContact CD1-CE1 4.26Å; Y166-F280 HydrophobicContact CD2-CD1 4.06Å; Y166-F280 HydrophobicContact CE1-CD1 4.38Å; Y166-F280 HydrophobicContact CE2-CD1 4.15Å; Y166-F280 HydrophobicContact CG-CD1 4.13Å; Y166-F280 HydrophobicContact CG-CE1 4.32Å; Y166-H281 AromaticContact CE1-CE1 3.81Å; Y166-H281 AromaticContact CE1-ND1 3.74Å; Y166-H281 AromaticContact CZ-ND1 3.51Å; Y166-H281 PolarHBondContact OH-ND1 3.07Å; Y166-W324 HydrophobicContact CD1-CH2 4.05Å; Y166-W324 WeakPolarHBondContact O-CH2 3.19Å; Y166-W324 WeakPolarHBondContact O-CZ2 3.4Å
167	F	97.2	Very high	98.5	Very high	81 Å²	81	21.1 Å²	21.1	36%	0.355	11%	0.105	S	C	.	.	G	3₁₀ helix	trans	48.2	32.4	-168.5	-68.9	-82.6	0	0	0	114.2	G94 P96 N165 F169 W324	G94-F167 WeakPolarHBondContact O-CA 3.46Å; G94-F167 PolarHBondContact O-N 2.95Å; P96-F167 HydrophobicContact CG-CD2 3.96Å; P96-F167 HydrophobicContact CG-CE1 4.03Å; P96-F167 HydrophobicContact CG-CE2 3.36Å; P96-F167 HydrophobicContact CG-CZ 3.39Å; N165-F167 PolarHBondContact O-N 2.71Å; N165-F167 VanDerWaalsContact O-N 3.15Å; F167-F169 VanDerWaalsContact C-N 3.32Å; F167-W324 HydrophobicContact CB-CH2 3.85Å; F167-W324 HydrophobicContact CB-CZ2 3.57Å
168	N	97.2	Very high	98.5	Very high	104 Å²	104	19.5 Å²	19.5	56%	0.556	10%	0.1	S	C	*	.	G	3₁₀ helix	trans	67.3	21.6	-174.7	-44.4	-72.6	0	0	0	115.1	N165 Y166	N165-N168 PolarHBondContact O-N 3.38Å; Y166-N168 PolarHBondContact O-N 3.04Å
169	F	98.5	Very high	98.5	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.009	8%	0.082	C	C	.	.			trans	-58.1	128	166.3	-174	-98.7	0	0	0	109.4	P163 N165 Y166 F167 K171 C173 C174 I185 W324	P163-F169 HydrophobicContact CB-CD1 3.79Å; P163-F169 HydrophobicContact CB-CE1 3.99Å; P163-F169 WeakPolarHBondContact O-CB 3.31Å; P163-F169 WeakPolarHBondContact O-CD1 3.4Å; N165-F169 VanDerWaalsContact CA-O 3.24Å; N165-F169 WeakPolarHBondContact CA-O 3.29Å; N165-F169 PolarHBondContact N-O 2.68Å; Y166-F169 VanDerWaalsContact O-CB 3.3Å; Y166-F169 WeakPolarHBondContact O-CB 3.46Å; Y166-F169 PolarHBondContact O-N 3.27Å; F167-F169 VanDerWaalsContact C-N 3.32Å; F169-K171 HydrophobicContact CD1-CB 4.36Å; F169-K171 WeakPolarHBondContact CD1-O 3.34Å; F169-K171 HydrophobicContact CE1-CB 3.71Å; F169-K171 WeakPolarHBondContact CE1-O 3.49Å; F169-K171 HydrophobicContact CZ-CB 4.31Å; F169-K171 PolarHBondContact O-N 2.76Å; F169-C173 VanDerWaalsContact CE1-O 3.32Å; F169-C173 WeakPolarHBondContact CE1-O 3.49Å; F169-C173 WeakPolarHBondContact CZ-O 3.39Å; F169-C174 HydrophobicContact CZ-CB 4.41Å; F169-I185 HydrophobicContact CD2-CG1 4.21Å; F169-I185 HydrophobicContact CE2-CB 4.43Å; F169-I185 HydrophobicContact CE2-CG1 3.6Å; F169-I185 HydrophobicContact CZ-CG1 4.24Å; F169-W324 HydrophobicContact CB-CD2 4.24Å; F169-W324 HydrophobicContact CB-CH2 4Å; F169-W324 HydrophobicContact CB-CZ2 3.59Å; F169-W324 HydrophobicContact CB-CZ3 4.49Å; F169-W324 HydrophobicContact CD2-CB 4.22Å; F169-W324 AromaticContact CD2-CD2 3.52Å; F169-W324 HydrophobicContact CD2-CD2 3.52Å; F169-W324 AromaticContact CD2-CE2 3.87Å; F169-W324 AromaticContact CD2-CE3 3.81Å; F169-W324 HydrophobicContact CD2-CE3 3.81Å; F169-W324 AromaticContact CD2-CG 3.69Å; F169-W324 HydrophobicContact CD2-CG 3.69Å; F169-W324 HydrophobicContact CD2-CZ2 4.44Å; F169-W324 HydrophobicContact CD2-CZ3 4.36Å; F169-W324 HydrophobicContact CE2-CB 4.37Å; F169-W324 HydrophobicContact CE2-CD2 4.39Å; F169-W324 HydrophobicContact CE2-CG 4.33Å; F169-W324 HydrophobicContact CG-CD2 4.35Å
170	P	98	Very high	98.6	Very high	38 Å²	38	16 Å²	16	25%	0.247	8%	0.084	C	C	.	.			trans	-88.6	-3.4	-162.2	31.9	-34.6	0	0	0	114.9	I185	P170-I185 HydrophobicContact CG-CD1 4.07Å; P170-I185 HydrophobicContact CG-CG1 4.49Å; P170-I185 HydrophobicContact CG-CG2 3.64Å
171	K	98.8	Very high	98.6	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	8%	0.084	C	C	.	.	S	Bend	trans	-129.2	169	-168.7	-64.9	-61.6	-171.5	177.8	0	111.7	T76 D144 D147 P163 L164 F169 I185 P186	T76-K171 PolarHBondContact O-NZ 2.96Å; T76-K171 PolarHBondContact OG1-NZ 2.83Å; D144-K171 WeakPolarHBondContact OD1-CE 3.26Å; D144-K171 IonicContact OD1-NZ 2.83Å; D144-K171 PolarHBondContact OD1-NZ 3.39Å; D147-K171 WeakPolarHBondContact OD1-CB 3.28Å; P163-K171 CarbonylContact C-O 3.43Å; L164-K171 WeakPolarHBondContact CA-O 3.44Å; L164-K171 PolarHBondContact N-O 3.17Å; F169-K171 HydrophobicContact CD1-CB 4.36Å; F169-K171 WeakPolarHBondContact CD1-O 3.34Å; F169-K171 HydrophobicContact CE1-CB 3.71Å; F169-K171 WeakPolarHBondContact CE1-O 3.49Å; F169-K171 HydrophobicContact CZ-CB 4.31Å; F169-K171 PolarHBondContact O-N 2.76Å; K171-I185 HydrophobicContact CG-CG2 3.75Å; K171-P186 HydrophobicContact CB-CB 4.31Å; K171-P186 HydrophobicContact CB-CG 3.87Å; K171-P186 HydrophobicContact CD-CB 4.34Å; K171-P186 VanDerWaalsContact CE-O 3.25Å; K171-P186 WeakPolarHBondContact CE-O 3Å; K171-P186 HydrophobicContact CG-CB 3.97Å; K171-P186 HydrophobicContact CG-CG 4.05Å
172	S	98.9	Very high	98.6	Very high	4 Å²	4	15.9 Å²	15.9	3%	0.028	8%	0.084	C	C	.	.	S	Bend	trans	-90.4	-19	-171.3	-45.5	0	0	0	0	113	D147 H151 P161 P163	D147-S172 WeakPolarHBondContact OD1-CA 3.49Å; D147-S172 VanDerWaalsContact OD1-CB 3.26Å; D147-S172 WeakPolarHBondContact OD1-CB 3.25Å; D147-S172 PolarHBondContact OD1-N 3.12Å; D147-S172 PolarHBondContact OD1-OG 2.83Å; H151-S172 WeakPolarHBondContact CB-OG 3.42Å; H151-S172 PolarHBondContact ND1-OG 2.88Å; P161-S172 WeakPolarHBondContact CB-O 3.41Å; P163-S172 WeakPolarHBondContact CD-O 3.39Å
173	C	98.9	Very high	98.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-141.2	166.8	174.1	64.9	0	0	0	0	110.4	A150 F169 P186 D200 I201	A150-C173 HydrophobicContact CB-CB 4.24Å; F169-C173 VanDerWaalsContact CE1-O 3.32Å; F169-C173 WeakPolarHBondContact CE1-O 3.49Å; F169-C173 WeakPolarHBondContact CZ-O 3.39Å; C173-P186 VanDerWaalsContact O-CD 3.26Å; C173-P186 WeakPolarHBondContact O-CD 3.35Å; C173-P186 VanDerWaalsContact O-CG 3.25Å; C173-P186 WeakPolarHBondContact O-CG 3.29Å; C173-D200 WeakPolarHBondContact CA-O 3.18Å; C173-D200 VanDerWaalsContact CB-O 3.24Å; C173-D200 WeakPolarHBondContact CB-O 3.46Å; C173-I201 HydrophobicContact CB-CD1 3.5Å
174	C	98.9	Very high	98.6	Very high	10 Å²	10	17.9 Å²	17.9	7%	0.068	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	142.9	166	-50.7	0	0	0	0	110.2	F169 G184 I199 D200	F169-C174 HydrophobicContact CZ-CB 4.41Å; C174-G184 WeakPolarHBondContact CA-O 3.46Å; C174-I199 WeakPolarHBondContact O-CA 3.29Å; C174-D200 HydrophobicContact CB-CB 3.81Å; C174-D200 PolarHBondContact N-O 3.21Å; C174-D200 VanDerWaalsContact N-O 3.15Å; C174-D200 PolarHBondContact O-N 3.44Å
175	T	98.9	Very high	98.6	Very high	6 Å²	6	18.4 Å²	18.4	4%	0.037	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	105.9	174	53.1	0	0	0	0	109.5	T143 I146 G184 P186 L197 N198	T143-T175 VanDerWaalsContact CB-OG1 3.27Å; T143-T175 WeakPolarHBondContact CB-OG1 3.39Å; T143-T175 HydrophobicContact CG2-CG2 4.1Å; I146-T175 HydrophobicContact CG2-CG2 4.24Å; T175-G184 PolarHBondContact N-O 3.34Å; T175-G184 CarbonylContact O-C 3.48Å; T175-G184 WeakPolarHBondContact O-CA 3.43Å; T175-P186 HydrophobicContact CG2-CG 3.98Å; T175-P186 WeakPolarHBondContact OG1-CA 3.29Å; T175-P186 WeakPolarHBondContact OG1-CG 3.46Å; T175-L197 HydrophobicContact CG2-CD1 4.28Å; T175-N198 CarbonylContact C-O 3.55Å; T175-N198 WeakPolarHBondContact CA-O 3.48Å
176	S	98.9	Very high	98.6	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.021	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	99.6	-174.4	-54	0	0	0	0	109.7	C182 G184 N198	S176-C182 VanDerWaalsContact OG-CA 3.29Å; S176-C182 WeakPolarHBondContact OG-CA 3.2Å; S176-G184 PolarHBondContact OG-N 2.71Å; S176-N198 PolarHBondContact N-O 3.02Å; S176-N198 PolarHBondContact O-N 2.98Å
177	V	98.9	Very high	98.6	Very high	8 Å²	8	17.5 Å²	17.5	5%	0.048	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	136.3	-178.1	-177.7	0	0	0	0	109.9	L70 T143 E179 V180 L191 D195 I196 L197	L70-V177 HydrophobicContact CD1-CB 4.06Å; L70-V177 HydrophobicContact CD1-CG1 4.24Å; L70-V177 WeakPolarHBondContact CD1-O 3.32Å; L70-V177 HydrophobicContact CD2-CG1 4.25Å; T143-V177 HydrophobicContact CG2-CG2 4.04Å; V177-E179 PolarHBondContact O-N 3.15Å; V177-V180 WeakPolarHBondContact O-CB 3.09Å; V177-V180 WeakPolarHBondContact O-CG2 3.22Å; V177-V180 PolarHBondContact O-N 3.45Å; V177-L191 HydrophobicContact CG2-CD2 3.86Å; V177-D195 HydrophobicContact CG1-CB 4.13Å; V177-I196 WeakPolarHBondContact CA-O 3.41Å; V177-L197 HydrophobicContact CG2-CD1 3.66Å
178	N	98.8	Very high	98.6	Very high	13 Å²	13	16.6 Å²	16.6	7%	0.07	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	-105.9	170.5	-61	-32.8	0	0	0	114.9	L70 V180 D195 I196 R333 S334	L70-N178 HydrophobicContact CD1-CB 4.16Å; N178-V180 VanDerWaalsContact C-N 3.26Å; N178-V180 PolarHBondContact O-N 2.76Å; N178-D195 PolarHBondContact ND2-OD1 3.09Å; N178-D195 WeakPolarHBondContact OD1-CA 3.36Å; N178-I196 PolarHBondContact N-O 2.91Å; N178-I196 PolarHBondContact OD1-N 2.83Å; N178-I196 VanDerWaalsContact OD1-N 3.09Å; N178-R333 HydrophobicContact CB-CG 4.23Å; N178-R333 CarbonylContact O-C 3.53Å; N178-R333 VanDerWaalsContact O-CA 3.26Å; N178-R333 WeakPolarHBondContact O-CA 3.37Å; N178-R333 PolarHBondContact OD1-NH2 3.02Å; N178-S334 PolarHBondContact O-N 3.33Å
179	E	98.8	Very high	98.5	Very high	11 Å²	11	13 Å²	13	5%	0.051	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-8.5	-178.9	66.5	-94.6	-140.3	0	0	114.6	G68 Q69 L70 V177 I181 V327 T328 L332	G68-E179 VanDerWaalsContact C-OE1 3.29Å; G68-E179 VanDerWaalsContact CA-OE1 3.26Å; G68-E179 WeakPolarHBondContact CA-OE1 3.3Å; Q69-E179 PolarHBondContact N-OE1 2.83Å; L70-E179 VanDerWaalsContact CB-OE1 3.24Å; L70-E179 WeakPolarHBondContact CB-OE1 3.4Å; L70-E179 VanDerWaalsContact CD1-CD 3.49Å; L70-E179 HydrophobicContact CD1-CG 4.15Å; L70-E179 VanDerWaalsContact CD1-OE2 3.25Å; L70-E179 WeakPolarHBondContact CD1-OE2 3.43Å; L70-E179 VanDerWaalsContact CG-CD 3.42Å; L70-E179 WeakPolarHBondContact CG-OE1 3.49Å; L70-E179 VanDerWaalsContact CG-OE2 3.26Å; L70-E179 WeakPolarHBondContact CG-OE2 3.48Å; L70-E179 PolarHBondContact N-OE1 2.7Å; V177-E179 PolarHBondContact O-N 3.15Å; E179-I181 PolarHBondContact O-N 3.13Å; E179-V327 CarbonylContact O-C 3.46Å; E179-V327 VanDerWaalsContact O-CA 3.28Å; E179-V327 WeakPolarHBondContact O-CA 3.25Å; E179-T328 PolarHBondContact O-N 3.38Å; E179-L332 VanDerWaalsContact CA-O 3.31Å; E179-L332 WeakPolarHBondContact CA-O 3.5Å; E179-L332 WeakPolarHBondContact CB-O 3.45Å
180	V	98.9	Very high	98.3	Very high	7 Å²	7	14 Å²	14	4%	0.042	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	121.1	171.5	-174.6	0	0	0	0	108.8	L70 V177 N178 T325 A326 V327	L70-V180 HydrophobicContact CD1-CG2 3.89Å; V177-V180 WeakPolarHBondContact O-CB 3.09Å; V177-V180 WeakPolarHBondContact O-CG2 3.22Å; V177-V180 PolarHBondContact O-N 3.45Å; N178-V180 VanDerWaalsContact C-N 3.26Å; N178-V180 PolarHBondContact O-N 2.76Å; V180-T325 HydrophobicContact CB-CG2 4.42Å; V180-T325 HydrophobicContact CG1-CG2 3.69Å; V180-T325 HydrophobicContact CG2-CG2 3.82Å; V180-A326 CarbonylContact C-O 3.58Å; V180-A326 WeakPolarHBondContact CA-O 3.38Å; V180-A326 WeakPolarHBondContact CG1-O 3.36Å; V180-V327 HydrophobicContact CG2-CG1 4.07Å
181	I	98.9	Very high	98.3	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	-56	179.4	-68.5	168.8	0	0	0	110.2	E179 V268 M309 D317 A326 T328	E179-I181 PolarHBondContact O-N 3.13Å; I181-V268 HydrophobicContact CD1-CG1 4.47Å; I181-V268 HydrophobicContact CD1-CG2 3.88Å; I181-V268 HydrophobicContact CG1-CG2 4.26Å; I181-V268 HydrophobicContact CG2-CB 4.46Å; I181-V268 HydrophobicContact CG2-CG1 4.28Å; I181-V268 HydrophobicContact CG2-CG2 3.82Å; I181-M309 HydrophobicContact CG2-CB 3.83Å; I181-M309 HydrophobicContact CG2-CG 3.68Å; I181-M309 HydrophobicContact CG2-SD 3.56Å; I181-M309 VanDerWaalsContact CG2-SD 3.56Å; I181-D317 HydrophobicContact CD1-CB 3.52Å; I181-A326 HydrophobicContact CB-CB 4.41Å; I181-A326 PolarHBondContact N-O 2.94Å; I181-T328 HydrophobicContact CD1-CG2 4Å; I181-T328 HydrophobicContact CG1-CG2 3.72Å
182	C	98.8	Very high	98.2	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.007	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	171.2	-179.2	62.6	0	0	0	0	109.8	S176 G184 M309 A326	S176-C182 VanDerWaalsContact OG-CA 3.29Å; S176-C182 WeakPolarHBondContact OG-CA 3.2Å; C182-G184 PolarHBondContact O-N 3.29Å; C182-G184 VanDerWaalsContact O-N 3.07Å; C182-M309 HydrophobicContact CB-SD 3.99Å; C182-A326 PolarHBondContact O-N 2.95Å
183	H	98.7	Very high	98.1	Very high	46 Å²	46	20.9 Å²	20.9	21%	0.213	11%	0.106	C	C	.	.			trans	58.1	21.6	173.6	-46.8	153.2	0	0	0	115.7	I185 Y271 W324	H183-I185 PolarHBondContact O-N 3.3Å; H183-Y271 AromaticContact CE1-CD1 3.73Å; H183-Y271 AromaticContact CE1-CE1 3.64Å; H183-Y271 AromaticContact ND1-CE1 3.91Å; H183-W324 HydrophobicContact CB-CE3 4.22Å; H183-W324 VanDerWaalsContact CB-O 3.28Å; H183-W324 WeakPolarHBondContact CB-O 3.34Å
184	G	98.8	Very high	98	Very high	3 Å²	3	21.3 Å²	21.3	3%	0.031	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-59.7	130	173	0	0	0	0	0	110.8	C174 T175 S176 C182 P186	C174-G184 WeakPolarHBondContact CA-O 3.46Å; T175-G184 PolarHBondContact N-O 3.34Å; T175-G184 CarbonylContact O-C 3.48Å; T175-G184 WeakPolarHBondContact O-CA 3.43Å; S176-G184 PolarHBondContact OG-N 2.71Å; C182-G184 PolarHBondContact O-N 3.29Å; C182-G184 VanDerWaalsContact O-N 3.07Å; G184-P186 WeakPolarHBondContact O-CD 3.35Å
185	I	98.7	Very high	98	Very high	13 Å²	13	21.1 Å²	21.1	7%	0.067	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-81.9	122.8	-179.8	-58.3	175.2	0	0	0	109.8	K75 F169 P170 K171 H183 D187 D322 W324	K75-I185 HydrophobicContact CD-CB 4.48Å; K75-I185 HydrophobicContact CD-CG2 3.61Å; K75-I185 HydrophobicContact CG-CG2 4.42Å; F169-I185 HydrophobicContact CD2-CG1 4.21Å; F169-I185 HydrophobicContact CE2-CB 4.43Å; F169-I185 HydrophobicContact CE2-CG1 3.6Å; F169-I185 HydrophobicContact CZ-CG1 4.24Å; P170-I185 HydrophobicContact CG-CD1 4.07Å; P170-I185 HydrophobicContact CG-CG1 4.49Å; P170-I185 HydrophobicContact CG-CG2 3.64Å; K171-I185 HydrophobicContact CG-CG2 3.75Å; H183-I185 PolarHBondContact O-N 3.3Å; I185-D187 PolarHBondContact O-N 3.3Å; I185-D322 HydrophobicContact CD1-CB 4.02Å; I185-W324 HydrophobicContact CD1-CB 4.04Å; I185-W324 HydrophobicContact CD1-CG 4.43Å; I185-W324 HydrophobicContact CG1-CB 4.11Å
186	P	98.8	Very high	98	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-51.4	131.4	170.4	-29	33.6	0	0	0	113.6	D147 K171 C173 T175 G184	D147-P186 HydrophobicContact CB-CB 3.57Å; D147-P186 HydrophobicContact CB-CG 3.84Å; K171-P186 HydrophobicContact CB-CB 4.31Å; K171-P186 HydrophobicContact CB-CG 3.87Å; K171-P186 HydrophobicContact CD-CB 4.34Å; K171-P186 VanDerWaalsContact CE-O 3.25Å; K171-P186 WeakPolarHBondContact CE-O 3Å; K171-P186 HydrophobicContact CG-CB 3.97Å; K171-P186 HydrophobicContact CG-CG 4.05Å; C173-P186 VanDerWaalsContact O-CD 3.26Å; C173-P186 WeakPolarHBondContact O-CD 3.35Å; C173-P186 VanDerWaalsContact O-CG 3.25Å; C173-P186 WeakPolarHBondContact O-CG 3.29Å; T175-P186 HydrophobicContact CG2-CG 3.98Å; T175-P186 WeakPolarHBondContact OG1-CA 3.29Å; T175-P186 WeakPolarHBondContact OG1-CG 3.46Å; G184-P186 WeakPolarHBondContact O-CD 3.35Å
187	D	98.1	Very high	98	Very high	15 Å²	15	20.8 Å²	20.8	8%	0.08	11%	0.107	C	C	.	.			trans	-149.8	-178.4	-176	72.2	14.9	0	0	0	111.8	A73 K75 T143 D144 I185 R189	A73-D187 HydrophobicContact CB-CB 4.2Å; A73-D187 PolarHBondContact N-OD2 3.27Å; K75-D187 HydrophobicContact CG-CB 3.71Å; T143-D187 PolarHBondContact N-O 2.97Å; T143-D187 PolarHBondContact OG1-N 2.95Å; T143-D187 PolarHBondContact OG1-O 2.81Å; T143-D187 VanDerWaalsContact OG1-O 3.04Å; T143-D187 PolarHBondContact OG1-OD1 3.15Å; D144-D187 VanDerWaalsContact CB-O 3.3Å; D144-D187 WeakPolarHBondContact CB-O 3.45Å; D144-D187 PolarHBondContact N-O 2.54Å; I185-D187 PolarHBondContact O-N 3.3Å; D187-R189 PolarHBondContact O-N 3.41Å; D187-R189 VanDerWaalsContact O-N 3.16Å; D187-R189 WeakPolarHBondContact OD1-CB 3.32Å; D187-R189 PolarHBondContact OD1-N 2.99Å
188	M	97.4	Very high	98	Very high	61 Å²	61	20.5 Å²	20.5	30%	0.3	11%	0.105	S	C	.	.	S	Bend	trans	-77.5	10.5	-176.7	-64.9	-56.8	-64.7	0	0	113.7	A73 K74 T76 T142 D144 P190	A73-M188 HydrophobicContact CB-CB 4.32Å; K74-M188 HydrophobicContact CB-CG 4.47Å; K74-M188 VanDerWaalsContact O-CB 3.28Å; K74-M188 WeakPolarHBondContact O-CB 3.18Å; K74-M188 WeakPolarHBondContact O-CG 3.12Å; K74-M188 PolarHBondContact O-N 3.19Å; T76-M188 HydrophobicContact CG2-SD 3.86Å; T142-M188 HydrophobicContact CG2-CE 4.23Å; T142-M188 VanDerWaalsContact CG2-O 3.3Å; T142-M188 WeakPolarHBondContact CG2-O 3.18Å; D144-M188 HydrophobicContact CB-SD 3.8Å; M188-P190 VanDerWaalsContact O-CD 3.28Å; M188-P190 WeakPolarHBondContact O-CD 3.24Å
189	R	94.7	Very high	98	Very high	30 Å²	30	19.9 Å²	19.9	11%	0.113	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-68.6	121.8	174.6	-176	-169.9	171.3	-85.3	6.6	109.2	A73 T142 T143 D187 D195	A73-R189 HydrophobicContact CB-CB 4.01Å; A73-R189 VanDerWaalsContact CB-N 3.34Å; T142-R189 WeakPolarHBondContact CA-O 3.44Å; T143-R189 PolarHBondContact N-O 2.92Å; D187-R189 PolarHBondContact O-N 3.41Å; D187-R189 VanDerWaalsContact O-N 3.16Å; D187-R189 WeakPolarHBondContact OD1-CB 3.32Å; D187-R189 PolarHBondContact OD1-N 2.99Å; R189-D195 IonicContact CZ-OD2 3.26Å; R189-D195 IonicContact NH1-OD2 3.53Å; R189-D195 PolarHBondContact NH1-OD2 3.03Å; R189-D195 IonicContact NH2-OD1 2.86Å; R189-D195 PolarHBondContact NH2-OD1 3.25Å; R189-D195 IonicContact NH2-OD2 3.28Å; R189-D195 PolarHBondContact NH2-OD2 3.21Å
190	P	95.2	Very high	98	Very high	21 Å²	21	19.9 Å²	19.9	14%	0.136	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-72.8	138.2	172.6	-11.6	27.8	0	0	0	110.5	V50 T142 M188	V50-P190 HydrophobicContact CB-CG 3.64Å; V50-P190 VanDerWaalsContact CG1-CD 3.5Å; V50-P190 HydrophobicContact CG1-CG 3.11Å; V50-P190 HydrophobicContact CG2-CB 4.27Å; V50-P190 HydrophobicContact CG2-CG 3.35Å; T142-P190 HydrophobicContact CG2-CG 4.5Å; M188-P190 VanDerWaalsContact O-CD 3.28Å; M188-P190 WeakPolarHBondContact O-CD 3.24Å
191	L	97.3	Very high	98	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-65.5	135.1	171	-62	173.2	0	0	0	110.5	V137 G140 V141 T143 I146 V177 L197 V218	V137-L191 HydrophobicContact CG1-CD1 4.07Å; G140-L191 PolarHBondContact N-O 3.14Å; V141-L191 WeakPolarHBondContact O-CB 3.3Å; V141-L191 VanDerWaalsContact O-CG 3.32Å; V141-L191 WeakPolarHBondContact O-CG 3.43Å; V141-L191 PolarHBondContact O-N 3.48Å; T143-L191 HydrophobicContact CG2-CD2 3.99Å; I146-L191 HydrophobicContact CD1-CD1 3.68Å; V177-L191 HydrophobicContact CG2-CD2 3.86Å; L191-L197 HydrophobicContact CD1-CD2 3.8Å; L191-L197 HydrophobicContact CD2-CD2 4.11Å; L191-V218 HydrophobicContact CB-CB 4.47Å; L191-V218 HydrophobicContact CB-CG1 3.66Å; L191-V218 HydrophobicContact CB-CG2 4.11Å; L191-V218 HydrophobicContact CD1-CG1 4.49Å; L191-V218 HydrophobicContact CD1-CG2 4.05Å; L191-V218 HydrophobicContact CD2-CG2 4.28Å; L191-V218 HydrophobicContact CG-CG2 4.39Å
192	Q	96.8	Very high	98	Very high	103 Å²	103	19.7 Å²	19.7	48%	0.481	10%	0.101	S	C	.	.	P	Polyproline II helix	trans	-103.3	153.9	-177.9	-58.3	-175	20.4	0	0	110.6	G194 D195 V218	Q192-G194 PolarHBondContact O-N 3.28Å; Q192-D195 PolarHBondContact N-OD2 3.43Å; Q192-D195 WeakPolarHBondContact O-CB 3.39Å; Q192-D195 PolarHBondContact O-N 3.4Å; Q192-V218 WeakPolarHBondContact O-CB 3.43Å; Q192-V218 WeakPolarHBondContact O-CG1 3.45Å
193	N	97.4	Very high	98	Very high	83 Å²	83	19.7 Å²	19.7	44%	0.444	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	126.2	172.9	179.7	76.9	0	0	0	110.1	V139 G219 Q220	V139-N193 HydrophobicContact CG1-CB 4.47Å; V139-N193 HydrophobicContact CG2-CB 3.91Å; N193-G219 WeakPolarHBondContact OD1-CA 3.31Å; N193-Q220 PolarHBondContact OD1-N 3.13Å
194	G	95.9	Very high	98	Very high	9 Å²	9	18.6 Å²	18.6	9%	0.093	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	-2.3	-176.5	0	0	0	0	0	114.2	Q192 V218 Q220 R333	Q192-G194 PolarHBondContact O-N 3.28Å; G194-V218 PolarHBondContact N-O 2.83Å; G194-Q220 VanDerWaalsContact CA-O 3.23Å; G194-Q220 WeakPolarHBondContact CA-O 3.48Å; G194-R333 VanDerWaalsContact O-CZ 3.23Å; G194-R333 PolarHBondContact O-NH1 3.23Å; G194-R333 PolarHBondContact O-NH2 2.87Å
195	D	98.7	Very high	98	Very high	7 Å²	7	19.9 Å²	19.9	4%	0.037	10%	0.1	C	C	.	.			trans	-63.5	148.6	168.1	-75.9	-13.9	0	0	0	110.2	V177 N178 R189 Q192 V218	V177-D195 HydrophobicContact CG1-CB 4.13Å; N178-D195 PolarHBondContact ND2-OD1 3.09Å; N178-D195 WeakPolarHBondContact OD1-CA 3.36Å; R189-D195 IonicContact CZ-OD2 3.26Å; R189-D195 IonicContact NH1-OD2 3.53Å; R189-D195 PolarHBondContact NH1-OD2 3.03Å; R189-D195 IonicContact NH2-OD1 2.86Å; R189-D195 PolarHBondContact NH2-OD1 3.25Å; R189-D195 IonicContact NH2-OD2 3.28Å; R189-D195 PolarHBondContact NH2-OD2 3.21Å; Q192-D195 PolarHBondContact N-OD2 3.43Å; Q192-D195 WeakPolarHBondContact O-CB 3.39Å; Q192-D195 PolarHBondContact O-N 3.4Å; D195-V218 HydrophobicContact CB-CB 3.97Å; D195-V218 HydrophobicContact CB-CG2 3.84Å; D195-V218 PolarHBondContact O-N 3.25Å
196	I	98.9	Very high	97.9	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	145.9	155.9	63.4	177.9	0	0	0	108.7	V177 N178 T215 V216 F217 L228 V229 R333 S334	V177-I196 WeakPolarHBondContact CA-O 3.41Å; N178-I196 PolarHBondContact N-O 2.91Å; N178-I196 PolarHBondContact OD1-N 2.83Å; N178-I196 VanDerWaalsContact OD1-N 3.09Å; I196-T215 HydrophobicContact CB-CG2 4.03Å; I196-T215 HydrophobicContact CD1-CG2 4.38Å; I196-T215 HydrophobicContact CG1-CG2 4.5Å; I196-V216 WeakPolarHBondContact CA-O 3.45Å; I196-F217 HydrophobicContact CG2-CD1 3.84Å; I196-F217 HydrophobicContact CG2-CE1 4.18Å; I196-L228 HydrophobicContact CD1-CD2 3.93Å; I196-V229 HydrophobicContact CD1-CG2 4.46Å; I196-V229 HydrophobicContact CG2-CG2 4.24Å; I196-R333 HydrophobicContact CD1-CB 3.98Å; I196-R333 HydrophobicContact CD1-CG 4.47Å; I196-S334 VanDerWaalsContact CD1-O 3.25Å; I196-S334 WeakPolarHBondContact CD1-O 3.38Å
197	L	98.9	Very high	97.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	117.8	-176.7	168.7	66.5	0	0	0	109.1	V137 T143 I146 T175 V177 L191 I199 T215 V216 V218	V137-L197 HydrophobicContact CG1-CD2 4.32Å; V137-L197 HydrophobicContact CG2-CD2 3.88Å; T143-L197 HydrophobicContact CG2-CD1 4.37Å; I146-L197 HydrophobicContact CD1-CD2 3.66Å; T175-L197 HydrophobicContact CG2-CD1 4.28Å; V177-L197 HydrophobicContact CG2-CD1 3.66Å; L191-L197 HydrophobicContact CD1-CD2 3.8Å; L191-L197 HydrophobicContact CD2-CD2 4.11Å; L197-I199 HydrophobicContact CD1-CG1 4.33Å; L197-I199 HydrophobicContact CD2-CD1 3.92Å; L197-I199 HydrophobicContact CD2-CG1 3.82Å; L197-I199 HydrophobicContact CG-CD1 4.41Å; L197-I199 HydrophobicContact CG-CG1 3.8Å; L197-T215 CarbonylContact O-C 3.53Å; L197-T215 WeakPolarHBondContact O-CA 3.5Å; L197-V216 HydrophobicContact CB-CG2 4.47Å; L197-V216 PolarHBondContact N-O 3.46Å; L197-V216 WeakPolarHBondContact O-CG2 3.48Å; L197-V216 PolarHBondContact O-N 3.48Å; L197-V218 HydrophobicContact CB-CG2 4.26Å
198	N	98.9	Very high	97.9	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	133	161.3	173.5	-79.9	0	0	0	109.4	T175 S176 N213 E214 Q336	T175-N198 CarbonylContact C-O 3.55Å; T175-N198 WeakPolarHBondContact CA-O 3.48Å; S176-N198 PolarHBondContact N-O 3.02Å; S176-N198 PolarHBondContact O-N 2.98Å; N198-N213 VanDerWaalsContact ND2-CG 3.33Å; N198-N213 PolarHBondContact ND2-OD1 3.15Å; N198-E214 WeakPolarHBondContact CA-O 3.35Å; N198-Q336 PolarHBondContact ND2-O 2.91Å
199	I	99	Very high	97.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.5	172.9	-54.6	174.9	0	0	0	107.4	L130 A133 V134 V137 I146 C174 L197 I201 N213 E214	L130-I199 HydrophobicContact CD1-CB 3.9Å; L130-I199 HydrophobicContact CD1-CG2 4.01Å; L130-I199 WeakPolarHBondContact CD1-O 3.23Å; A133-I199 HydrophobicContact CB-CD1 4.32Å; A133-I199 HydrophobicContact CB-CG2 4.06Å; V134-I199 HydrophobicContact CG2-CD1 4.11Å; V137-I199 HydrophobicContact CG2-CD1 3.61Å; I146-I199 HydrophobicContact CG2-CD1 3.85Å; I146-I199 HydrophobicContact CG2-CG1 4.45Å; I146-I199 HydrophobicContact CG2-CG2 4.38Å; C174-I199 WeakPolarHBondContact O-CA 3.29Å; L197-I199 HydrophobicContact CD1-CG1 4.33Å; L197-I199 HydrophobicContact CD2-CD1 3.92Å; L197-I199 HydrophobicContact CD2-CG1 3.82Å; L197-I199 HydrophobicContact CG-CD1 4.41Å; L197-I199 HydrophobicContact CG-CG1 3.8Å; I199-I201 HydrophobicContact CG2-CD1 3.93Å; I199-I201 HydrophobicContact CG2-CG1 4.1Å; I199-N213 WeakPolarHBondContact O-CA 3.37Å; I199-N213 WeakPolarHBondContact O-CB 3.3Å; I199-E214 PolarHBondContact N-O 3.49Å; I199-E214 VanDerWaalsContact N-O 3.15Å; I199-E214 PolarHBondContact O-N 2.87Å
200	D	99	Very high	98.1	Very high	11 Å²	11	19.8 Å²	19.8	6%	0.059	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.8	-176.8	-156	-45	0	0	0	111.3	C173 C174 N213	C173-D200 WeakPolarHBondContact CA-O 3.18Å; C173-D200 VanDerWaalsContact CB-O 3.24Å; C173-D200 WeakPolarHBondContact CB-O 3.46Å; C174-D200 HydrophobicContact CB-CB 3.81Å; C174-D200 PolarHBondContact N-O 3.21Å; C174-D200 VanDerWaalsContact N-O 3.15Å; C174-D200 PolarHBondContact O-N 3.44Å; D200-N213 HydrophobicContact CB-CB 3.86Å; D200-N213 PolarHBondContact OD2-ND2 3.25Å
201	I	98.9	Very high	98.3	Very high	3 Å²	3	19 Å²	19	2%	0.015	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	116.7	-172.4	-59.1	-61.6	0	0	0	110.1	A126 V129 L130 A133 A150 C173 I199 T203 V212	A126-I201 HydrophobicContact CB-CG2 4.45Å; A126-I201 WeakPolarHBondContact O-CG2 3.4Å; V129-I201 HydrophobicContact CB-CG2 3.77Å; V129-I201 HydrophobicContact CG1-CD1 4.07Å; V129-I201 HydrophobicContact CG1-CG1 4.39Å; V129-I201 HydrophobicContact CG1-CG2 3.56Å; L130-I201 HydrophobicContact CB-CB 4.24Å; L130-I201 HydrophobicContact CB-CG1 3.85Å; L130-I201 HydrophobicContact CD1-CG1 3.89Å; L130-I201 HydrophobicContact CG-CG1 4.46Å; A133-I201 HydrophobicContact CB-CD1 4.47Å; A150-I201 HydrophobicContact CB-CD1 3.79Å; C173-I201 HydrophobicContact CB-CD1 3.5Å; I199-I201 HydrophobicContact CG2-CD1 3.93Å; I199-I201 HydrophobicContact CG2-CG1 4.1Å; I201-T203 HydrophobicContact CG2-CG2 4.45Å; I201-V212 HydrophobicContact CB-CG1 4.43Å; I201-V212 PolarHBondContact N-O 3.47Å; I201-V212 PolarHBondContact O-N 3.25Å; I201-V212 VanDerWaalsContact O-N 3.08Å
202	T	98.9	Very high	98.4	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.012	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.1	169.7	-30.5	0	0	0	0	111.4	S162 H209 G210 D211 I276 F280	S162-T202 PolarHBondContact N-O 3.13Å; S162-T202 WeakPolarHBondContact OG-CG2 3.37Å; S162-T202 PolarHBondContact OG-O 3.25Å; S162-T202 VanDerWaalsContact OG-O 3.11Å; T202-H209 HydrophobicContact CG2-CB 4.2Å; T202-G210 CarbonylContact C-O 3.58Å; T202-G210 WeakPolarHBondContact CA-O 3.44Å; T202-G210 WeakPolarHBondContact CG2-O 3.32Å; T202-D211 WeakPolarHBondContact CB-OD1 3.44Å; T202-D211 HydrophobicContact CG2-CB 3.95Å; T202-D211 PolarHBondContact OG1-OD1 3.31Å; T202-D211 PolarHBondContact OG1-OD2 3Å; T202-I276 HydrophobicContact CG2-CD1 4.47Å; T202-F280 HydrophobicContact CG2-CD2 3.8Å; T202-F280 HydrophobicContact CG2-CE2 3.36Å; T202-F280 HydrophobicContact CG2-CZ 3.75Å; T202-F280 WeakPolarHBondContact OG1-CE2 3.47Å; T202-F280 WeakPolarHBondContact OG1-CZ 3.49Å
203	T	98.9	Very high	98.5	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	138.1	175.7	55.5	0	0	0	0	111.6	T122 A126 V129 C159 S162 I201 H209 G210	T122-T203 PolarHBondContact O-OG1 3.46Å; T122-T203 VanDerWaalsContact O-OG1 3.07Å; T122-T203 PolarHBondContact OG1-O 3.11Å; T122-T203 PolarHBondContact OG1-OG1 2.8Å; T122-T203 VanDerWaalsContact OG1-OG1 3.11Å; A126-T203 HydrophobicContact CB-CG2 4.12Å; A126-T203 PolarHBondContact N-OG1 2.84Å; V129-T203 HydrophobicContact CG2-CG2 4.16Å; C159-T203 HydrophobicContact CB-CG2 4.47Å; C159-T203 VanDerWaalsContact SG-CG2 3.6Å; S162-T203 VanDerWaalsContact OG-C 3.3Å; I201-T203 HydrophobicContact CG2-CG2 4.45Å; T203-H209 CarbonylContact O-C 3.58Å; T203-H209 WeakPolarHBondContact O-CA 3.37Å; T203-G210 PolarHBondContact N-O 2.84Å; T203-G210 PolarHBondContact O-N 2.78Å
204	Y	98.9	Very high	98.6	Very high	23 Å²	23	10.2 Å²	10.2	9%	0.09	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	118.8	167.5	179.3	-97.1	0	0	0	109.5	E86 P88 C159 Y160 S162 G207 F208 H209	E86-Y204 HydrophobicContact CB-CE1 4.33Å; E86-Y204 HydrophobicContact CG-CE1 4.03Å; E86-Y204 PolarHBondContact OE1-OH 3.12Å; P88-Y204 HydrophobicContact CB-CD1 4.37Å; P88-Y204 HydrophobicContact CB-CD2 4.34Å; P88-Y204 HydrophobicContact CB-CE1 4.37Å; P88-Y204 HydrophobicContact CB-CE2 4.29Å; P88-Y204 HydrophobicContact CB-CG 4.33Å; P88-Y204 HydrophobicContact CG-CD1 4.44Å; P88-Y204 HydrophobicContact CG-CG 4.47Å; C159-Y204 CarbonylContact C-O 3.29Å; C159-Y204 WeakPolarHBondContact CA-O 3.39Å; C159-Y204 WeakPolarHBondContact CB-O 3.3Å; Y160-Y204 PolarHBondContact N-O 3.15Å; Y160-Y204 PolarHBondContact O-N 3.37Å; S162-Y204 PolarHBondContact OG-N 3.48Å; Y204-G207 VanDerWaalsContact CE2-C 3.46Å; Y204-G207 WeakPolarHBondContact OH-CA 3.44Å; Y204-F208 WeakPolarHBondContact CA-O 3.22Å; Y204-H209 AromaticContact CD2-CD2 3.69Å; Y204-H209 AromaticContact CD2-CE1 3.31Å; Y204-H209 WeakPolarHBondContact CD2-CE1 3.24Å; Y204-H209 AromaticContact CD2-CG 3.92Å; Y204-H209 AromaticContact CD2-ND1 3.68Å; Y204-H209 AromaticContact CD2-NE2 3.3Å; Y204-H209 VanDerWaalsContact CD2-NE2 3.3Å; Y204-H209 WeakPolarHBondContact CD2-NE2 3.44Å; Y204-H209 AromaticContact CE2-NE2 3.7Å; Y204-H209 AromaticContact CG-CE1 3.93Å
205	H	98.7	Very high	98.7	Very high	30 Å²	30	9.8 Å²	9.8	14%	0.139	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	129.5	-177.3	178	-96.5	0	0	0	110	L125 E158 C159 G207 F208	L125-H205 HydrophobicContact CD1-CB 4.01Å; E158-H205 PolarHBondContact O-CD2 2.98Å; C159-H205 HydrophobicContact CB-CB 3.97Å; H205-G207 VanDerWaalsContact C-N 3.26Å; H205-G207 PolarHBondContact O-N 3.43Å; H205-F208 PolarHBondContact N-O 3.06Å; H205-F208 PolarHBondContact O-N 2.78Å; H205-F208 VanDerWaalsContact O-N 3.09Å
206	N	96.1	Very high	98.7	Very high	101 Å²	101	9.5 Å²	9.5	54%	0.54	5%	0.05	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	44.1	-179.3	-66.9	-12.6	0	0	0	113.8	E86 F208	E86-N206 VanDerWaalsContact OE2-CA 3.27Å; E86-N206 WeakPolarHBondContact OE2-CA 3.35Å; N206-F208 VanDerWaalsContact O-CD2 3.32Å; N206-F208 WeakPolarHBondContact O-CD2 3.28Å
207	G	98.1	Very high	98.7	Very high	8 Å²	8	9.5 Å²	9.5	8%	0.082	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	3.5	179.1	0	0	0	0	0	116.7	E86 Y204 H205 R278	E86-G207 PolarHBondContact OE2-N 3.2Å; E86-G207 VanDerWaalsContact OE2-N 3.15Å; Y204-G207 VanDerWaalsContact CE2-C 3.46Å; Y204-G207 WeakPolarHBondContact OH-CA 3.44Å; H205-G207 VanDerWaalsContact C-N 3.26Å; H205-G207 PolarHBondContact O-N 3.43Å; G207-R278 VanDerWaalsContact O-CA 3.24Å; G207-R278 WeakPolarHBondContact O-CA 3.33Å
208	F	98.8	Very high	98.7	Very high	4 Å²	4	9.6 Å²	9.6	2%	0.018	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.1	-174.7	-69.2	-95	0	0	0	114	E115 C118 M119 T122 Y204 H205 N206 H277 R278	E115-F208 HydrophobicContact CB-CE1 3.98Å; E115-F208 HydrophobicContact CB-CZ 3.85Å; E115-F208 HydrophobicContact CG-CE1 4.3Å; E115-F208 HydrophobicContact CG-CZ 3.81Å; C118-F208 HydrophobicContact CB-CB 4.46Å; C118-F208 HydrophobicContact CB-CD1 4.41Å; C118-F208 HydrophobicContact CB-CD2 3.32Å; C118-F208 HydrophobicContact CB-CE2 3.48Å; C118-F208 VanDerWaalsContact CB-CE2 3.48Å; C118-F208 HydrophobicContact CB-CG 3.83Å; C118-F208 HydrophobicContact CB-CZ 4.09Å; M119-F208 HydrophobicContact CG-CD1 4.02Å; M119-F208 HydrophobicContact SD-CB 3.88Å; M119-F208 HydrophobicContact SD-CD1 3.53Å; M119-F208 VanDerWaalsContact SD-CD1 3.53Å; M119-F208 HydrophobicContact SD-CE1 4.49Å; M119-F208 HydrophobicContact SD-CG 4.11Å; T122-F208 HydrophobicContact CG2-CB 4.06Å; T122-F208 PolarHBondContact OG1-O 3.21Å; Y204-F208 WeakPolarHBondContact CA-O 3.22Å; H205-F208 PolarHBondContact N-O 3.06Å; H205-F208 PolarHBondContact O-N 2.78Å; H205-F208 VanDerWaalsContact O-N 3.09Å; N206-F208 VanDerWaalsContact O-CD2 3.32Å; N206-F208 WeakPolarHBondContact O-CD2 3.28Å; F208-H277 HydrophobicContact CD1-CB 4.19Å; F208-H277 HydrophobicContact CE1-CB 4.34Å; F208-R278 HydrophobicContact CD1-CG 4.11Å; F208-R278 HydrophobicContact CE1-CG 3.74Å; F208-R278 HydrophobicContact CE2-CG 4.47Å; F208-R278 HydrophobicContact CZ-CG 3.94Å; F208-R278 VanDerWaalsContact CZ-CZ 3.44Å
209	H	98.9	Very high	98.5	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.019	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	140.6	175	-61.3	-86.9	0	0	0	111.7	Y90 M119 T122 S162 T202 T203 Y204 I276 H277 L279 F280	Y90-H209 PolarHBondContact OH-CE1 2.98Å; M119-H209 WeakPolarHBondContact CE-O 3.46Å; T122-H209 WeakPolarHBondContact CG2-O 3.36Å; S162-H209 WeakPolarHBondContact CB-ND1 3.38Å; S162-H209 PolarHBondContact OG-ND1 3.28Å; T202-H209 HydrophobicContact CG2-CB 4.2Å; T203-H209 CarbonylContact O-C 3.58Å; T203-H209 WeakPolarHBondContact O-CA 3.37Å; Y204-H209 AromaticContact CD2-CD2 3.69Å; Y204-H209 AromaticContact CD2-CE1 3.31Å; Y204-H209 WeakPolarHBondContact CD2-CE1 3.24Å; Y204-H209 AromaticContact CD2-CG 3.92Å; Y204-H209 AromaticContact CD2-ND1 3.68Å; Y204-H209 AromaticContact CD2-NE2 3.3Å; Y204-H209 VanDerWaalsContact CD2-NE2 3.3Å; Y204-H209 WeakPolarHBondContact CD2-NE2 3.44Å; Y204-H209 AromaticContact CE2-NE2 3.7Å; Y204-H209 AromaticContact CG-CE1 3.93Å; H209-I276 HydrophobicContact CB-CD1 3.81Å; H209-I276 HydrophobicContact CB-CG1 3.77Å; H209-H277 PolarHBondContact CD2-O 3.09Å; H209-H277 VanDerWaalsContact CD2-O 3.29Å; H209-H277 PolarHBondContact N-O 3.48Å; H209-L279 VanDerWaalsContact CD2-C 3.48Å; H209-F280 PolarHBondContact CD2-N 3.02Å; H209-F280 VanDerWaalsContact CD2-N 3.33Å
210	G	98.8	Very high	98.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.4	168.4	0	0	0	0	0	109.9	T122 A126 T202 T203	T122-G210 PolarHBondContact OG1-N 3.07Å; A126-G210 VanDerWaalsContact CB-O 3.25Å; A126-G210 WeakPolarHBondContact CB-O 3.46Å; T202-G210 CarbonylContact C-O 3.58Å; T202-G210 WeakPolarHBondContact CA-O 3.44Å; T202-G210 WeakPolarHBondContact CG2-O 3.32Å; T203-G210 PolarHBondContact N-O 2.84Å; T203-G210 PolarHBondContact O-N 2.78Å
211	D	98.9	Very high	98.2	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.021	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.7	-167.7	-147.6	1.1	0	0	0	114.5	T202 H274 I276 F280 T305 T340 T360	T202-D211 WeakPolarHBondContact CB-OD1 3.44Å; T202-D211 HydrophobicContact CG2-CB 3.95Å; T202-D211 PolarHBondContact OG1-OD1 3.31Å; T202-D211 PolarHBondContact OG1-OD2 3Å; D211-H274 IonicContact OD2-NE2 3.32Å; D211-I276 HydrophobicContact CB-CD1 3.55Å; D211-F280 WeakPolarHBondContact OD2-CE2 3.1Å; D211-T305 HydrophobicContact CB-CG2 4.14Å; D211-T340 WeakPolarHBondContact CA-OG1 3.17Å; D211-T340 PolarHBondContact N-OG1 3.24Å; D211-T340 WeakPolarHBondContact O-CB 2.9Å; D211-T340 PolarHBondContact O-N 3.14Å; D211-T340 VanDerWaalsContact O-N 3.14Å; D211-T340 PolarHBondContact O-OG1 3.15Å; D211-T360 WeakPolarHBondContact O-CG2 3.45Å
212	V	98.9	Very high	98.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	137.8	-175.7	65.5	0	0	0	0	111.4	A126 L130 I201 E338 T360	A126-V212 HydrophobicContact CB-CG1 3.91Å; L130-V212 HydrophobicContact CB-CG1 4.13Å; L130-V212 HydrophobicContact CD2-CB 4.38Å; L130-V212 HydrophobicContact CD2-CG1 3.9Å; L130-V212 HydrophobicContact CD2-CG2 3.79Å; I201-V212 HydrophobicContact CB-CG1 4.43Å; I201-V212 PolarHBondContact N-O 3.47Å; I201-V212 PolarHBondContact O-N 3.25Å; I201-V212 VanDerWaalsContact O-N 3.08Å; V212-E338 WeakPolarHBondContact CG2-O 3.46Å; V212-T360 HydrophobicContact CB-CG2 3.94Å; V212-T360 HydrophobicContact CG1-CG2 4.38Å
213	N	98.9	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.2	173.5	76.1	45.1	0	0	0	111.3	N198 I199 D200 Q336 F337 E338	N198-N213 VanDerWaalsContact ND2-CG 3.33Å; N198-N213 PolarHBondContact ND2-OD1 3.15Å; I199-N213 WeakPolarHBondContact O-CA 3.37Å; I199-N213 WeakPolarHBondContact O-CB 3.3Å; D200-N213 HydrophobicContact CB-CB 3.86Å; D200-N213 PolarHBondContact OD2-ND2 3.25Å; N213-Q336 PolarHBondContact ND2-NE2 2.81Å; N213-F337 WeakPolarHBondContact OD1-CA 3.42Å; N213-F337 PolarHBondContact OD1-N 3.11Å; N213-E338 HydrophobicContact CB-CB 4.18Å; N213-E338 VanDerWaalsContact ND2-CB 3.35Å; N213-E338 WeakPolarHBondContact ND2-CB 3.39Å; N213-E338 PolarHBondContact ND2-OE2 3.06Å; N213-E338 PolarHBondContact O-N 3.16Å; N213-E338 WeakPolarHBondContact OD1-CB 3.19Å; N213-E338 PolarHBondContact OD1-N 2.94Å
214	E	98.9	Very high	97.9	Very high	4 Å²	4	30 Å²	30	2%	0.019	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	140.5	172.5	-72.9	-168.9	-147.4	0	0	110.7	R127 L130 N198 I199 F337 P389 Y390	R127-E214 IonicContact CZ-OE1 3.83Å; R127-E214 IonicContact NH1-OE1 3.41Å; R127-E214 PolarHBondContact NH1-OE1 3.21Å; R127-E214 IonicContact NH2-OE1 2.87Å; R127-E214 PolarHBondContact NH2-OE1 3.24Å; L130-E214 HydrophobicContact CD2-CB 4.26Å; L130-E214 HydrophobicContact CD2-CG 4.01Å; N198-E214 WeakPolarHBondContact CA-O 3.35Å; I199-E214 PolarHBondContact N-O 3.49Å; I199-E214 VanDerWaalsContact N-O 3.15Å; I199-E214 PolarHBondContact O-N 2.87Å; E214-F337 HydrophobicContact CB-CD1 4.13Å; E214-F337 HydrophobicContact CB-CE1 3.93Å; E214-F337 HydrophobicContact CG-CD1 3.86Å; E214-F337 HydrophobicContact CG-CE1 3.95Å; E214-P389 WeakPolarHBondContact OE2-CA 3.18Å; E214-Y390 PolarHBondContact OE2-N 2.89Å
215	T	98.9	Very high	97.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	125	166.8	-53.9	0	0	0	0	110.7	I196 L197 V229 A335 Q336 F337	I196-T215 HydrophobicContact CB-CG2 4.03Å; I196-T215 HydrophobicContact CD1-CG2 4.38Å; I196-T215 HydrophobicContact CG1-CG2 4.5Å; L197-T215 CarbonylContact O-C 3.53Å; L197-T215 WeakPolarHBondContact O-CA 3.5Å; T215-V229 HydrophobicContact CG2-CG2 3.7Å; T215-A335 HydrophobicContact CG2-CB 4.03Å; T215-Q336 PolarHBondContact N-O 3.29Å; T215-Q336 PolarHBondContact OG1-N 3.29Å; T215-Q336 PolarHBondContact OG1-O 3.43Å; T215-F337 WeakPolarHBondContact O-CZ 3.42Å
216	V	98.9	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	160.4	178.1	-62.6	0	0	0	0	111.9	V134 V137 I196 L197	V134-V216 HydrophobicContact CG1-CG1 3.89Å; V134-V216 HydrophobicContact CG2-CG1 4.08Å; V137-V216 HydrophobicContact CG1-CG2 4.2Å; V137-V216 HydrophobicContact CG2-CG2 4.15Å; I196-V216 WeakPolarHBondContact CA-O 3.45Å; L197-V216 HydrophobicContact CB-CG2 4.47Å; L197-V216 PolarHBondContact N-O 3.46Å; L197-V216 WeakPolarHBondContact O-CG2 3.48Å; L197-V216 PolarHBondContact O-N 3.48Å
217	F	98.8	Very high	97.8	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.009	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	142.1	176.9	-53.7	-62.7	0	0	0	111.7	I196 P221 V226 V229 F391 Q394 L395	I196-F217 HydrophobicContact CG2-CD1 3.84Å; I196-F217 HydrophobicContact CG2-CE1 4.18Å; F217-P221 HydrophobicContact CB-CB 4.24Å; F217-P221 HydrophobicContact CB-CG 4.11Å; F217-P221 HydrophobicContact CD1-CB 3.4Å; F217-P221 VanDerWaalsContact CD1-CB 3.4Å; F217-P221 HydrophobicContact CD1-CG 3.72Å; F217-P221 HydrophobicContact CD2-CG 4.09Å; F217-P221 HydrophobicContact CE1-CB 3.87Å; F217-P221 HydrophobicContact CE1-CG 4.14Å; F217-P221 HydrophobicContact CE2-CG 4.46Å; F217-P221 HydrophobicContact CG-CB 3.87Å; F217-P221 HydrophobicContact CG-CG 3.7Å; F217-V226 HydrophobicContact CE1-CG2 4.25Å; F217-V226 HydrophobicContact CZ-CB 4.45Å; F217-V226 HydrophobicContact CZ-CG2 4.06Å; F217-V229 HydrophobicContact CD1-CG2 4.49Å; F217-V229 HydrophobicContact CE1-CB 3.93Å; F217-V229 HydrophobicContact CE1-CG1 4.28Å; F217-V229 HydrophobicContact CE1-CG2 3.63Å; F217-V229 HydrophobicContact CZ-CB 3.85Å; F217-V229 HydrophobicContact CZ-CG1 3.9Å; F217-V229 HydrophobicContact CZ-CG2 4.08Å; F217-F391 HydrophobicContact CD2-CB 4.24Å; F217-F391 HydrophobicContact CE2-CB 3.79Å; F217-F391 HydrophobicContact CE2-CD2 4.04Å; F217-F391 HydrophobicContact CE2-CG 4.37Å; F217-F391 HydrophobicContact CZ-CB 4.43Å; F217-F391 HydrophobicContact CZ-CD2 4.34Å; F217-Q394 HydrophobicContact CD2-CB 4.1Å; F217-Q394 PolarHBondContact O-NE2 3.16Å; F217-L395 HydrophobicContact CE2-CD2 3.84Å; F217-L395 HydrophobicContact CE2-CG 4.03Å; F217-L395 HydrophobicContact CZ-CD2 4.39Å
218	V	97.9	Very high	97.8	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.141	C	C	.	.			trans	-102.2	106.1	169.8	-171.8	0	0	0	0	109.3	V137 V139 L191 Q192 G194 D195 L197 Q220	V137-V218 HydrophobicContact CG1-CG2 3.93Å; V139-V218 HydrophobicContact CG2-CG1 3.86Å; L191-V218 HydrophobicContact CB-CB 4.47Å; L191-V218 HydrophobicContact CB-CG1 3.66Å; L191-V218 HydrophobicContact CB-CG2 4.11Å; L191-V218 HydrophobicContact CD1-CG1 4.49Å; L191-V218 HydrophobicContact CD1-CG2 4.05Å; L191-V218 HydrophobicContact CD2-CG2 4.28Å; L191-V218 HydrophobicContact CG-CG2 4.39Å; Q192-V218 WeakPolarHBondContact O-CB 3.43Å; Q192-V218 WeakPolarHBondContact O-CG1 3.45Å; G194-V218 PolarHBondContact N-O 2.83Å; D195-V218 HydrophobicContact CB-CB 3.97Å; D195-V218 HydrophobicContact CB-CG2 3.84Å; D195-V218 PolarHBondContact O-N 3.25Å; L197-V218 HydrophobicContact CB-CG2 4.26Å; V218-Q220 PolarHBondContact O-N 3.49Å
219	G	96.2	Very high	97.8	Very high	35 Å²	35	26.9 Å²	26.9	36%	0.361	14%	0.14	S	C	.	.	S	Bend	trans	69.3	-130.1	-176.6	0	0	0	0	0	111.8	N193 P221	N193-G219 WeakPolarHBondContact OD1-CA 3.31Å; G219-P221 WeakPolarHBondContact O-CD 3.26Å
220	Q	95	Very high	97.8	Very high	75 Å²	75	27.8 Å²	27.8	35%	0.35	14%	0.144	S	C	.	.	S	Bend	trans	-94.9	111.3	-177.8	-175.1	66.7	45.7	0	0	111.2	N193 G194 V218	N193-Q220 PolarHBondContact OD1-N 3.13Å; G194-Q220 VanDerWaalsContact CA-O 3.23Å; G194-Q220 WeakPolarHBondContact CA-O 3.48Å; V218-Q220 PolarHBondContact O-N 3.49Å
221	P	96.9	Very high	97.7	Very high	8 Å²	8	28.3 Å²	28.3	5%	0.052	15%	0.147	C	C	.	.			trans	-77.5	155	173.9	34.3	-35.8	0	0	0	111.9	F217 G219 V226 L398 L400	F217-P221 HydrophobicContact CB-CB 4.24Å; F217-P221 HydrophobicContact CB-CG 4.11Å; F217-P221 HydrophobicContact CD1-CB 3.4Å; F217-P221 VanDerWaalsContact CD1-CB 3.4Å; F217-P221 HydrophobicContact CD1-CG 3.72Å; F217-P221 HydrophobicContact CD2-CG 4.09Å; F217-P221 HydrophobicContact CE1-CB 3.87Å; F217-P221 HydrophobicContact CE1-CG 4.14Å; F217-P221 HydrophobicContact CE2-CG 4.46Å; F217-P221 HydrophobicContact CG-CB 3.87Å; F217-P221 HydrophobicContact CG-CG 3.7Å; G219-P221 WeakPolarHBondContact O-CD 3.26Å; P221-V226 HydrophobicContact CB-CG2 3.94Å; P221-V226 HydrophobicContact CG-CG2 3.62Å; P221-L398 HydrophobicContact CG-CD1 4.26Å; P221-L400 HydrophobicContact CG-CD1 4.31Å
222	D	96.3	Very high	97.7	Very high	73 Å²	73	28.1 Å²	28.1	39%	0.39	15%	0.146	S	C	.	.			trans	-80.8	162.6	165.2	64.7	60	0	0	0	112.1	R224 S225 V226 R333	D222-R224 VanDerWaalsContact C-N 3.26Å; D222-R224 PolarHBondContact O-N 3Å; D222-R224 WeakPolarHBondContact OD1-CA 3.41Å; D222-R224 WeakPolarHBondContact OD1-CB 3.47Å; D222-R224 PolarHBondContact OD1-N 3.32Å; D222-S225 VanDerWaalsContact CG-OG 3.24Å; D222-S225 WeakPolarHBondContact O-CB 3.21Å; D222-S225 PolarHBondContact O-N 2.7Å; D222-S225 WeakPolarHBondContact OD1-CB 3.16Å; D222-S225 PolarHBondContact OD1-N 2.86Å; D222-S225 PolarHBondContact OD1-OG 3.06Å; D222-S225 PolarHBondContact OD2-OG 3.24Å; D222-V226 WeakPolarHBondContact O-CG2 3.42Å; D222-V226 PolarHBondContact O-N 2.81Å; D222-R333 IonicContact OD2-NH1 2.64Å
223	D	95.7	Very high	97.7	Very high	127 Å²	127	28.3 Å²	28.3	68%	0.679	15%	0.147	S	C	*	.	H	α-helix	trans	-58.9	-35.4	-177.7	-73.1	-13.3	0	0	0	113.2	S225 V226 N227	D223-S225 VanDerWaalsContact C-N 3.33Å; D223-V226 PolarHBondContact O-N 3.46Å; D223-N227 WeakPolarHBondContact O-CB 3.24Å; D223-N227 PolarHBondContact O-N 3.08Å; D223-N227 PolarHBondContact O-ND2 2.64Å
224	R	96.5	Very high	97.6	Very high	129 Å²	129	29.1 Å²	29.1	49%	0.487	15%	0.15	S	C	.	.	H	α-helix	trans	-68.8	-38.7	-178.1	-166.9	170.2	-174.5	-172.9	-5.6	110.6	D222 N227 L228 Q312	D222-R224 VanDerWaalsContact C-N 3.26Å; D222-R224 PolarHBondContact O-N 3Å; D222-R224 WeakPolarHBondContact OD1-CA 3.41Å; D222-R224 WeakPolarHBondContact OD1-CB 3.47Å; D222-R224 PolarHBondContact OD1-N 3.32Å; R224-N227 PolarHBondContact O-N 2.8Å; R224-L228 WeakPolarHBondContact O-CB 3.42Å; R224-L228 PolarHBondContact O-N 2.93Å; R224-Q312 HydrophobicContact CG-CG 4.26Å; R224-Q312 VanDerWaalsContact NE-CG 3.33Å; R224-Q312 VanDerWaalsContact NE-NE2 3.12Å
225	S	98.1	Very high	97.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-69.1	-41.4	175.9	-56.4	0	0	0	0	111.8	D222 D223 N227 L228 V229 R333	D222-S225 VanDerWaalsContact CG-OG 3.24Å; D222-S225 WeakPolarHBondContact O-CB 3.21Å; D222-S225 PolarHBondContact O-N 2.7Å; D222-S225 WeakPolarHBondContact OD1-CB 3.16Å; D222-S225 PolarHBondContact OD1-N 2.86Å; D222-S225 PolarHBondContact OD1-OG 3.06Å; D222-S225 PolarHBondContact OD2-OG 3.24Å; D223-S225 VanDerWaalsContact C-N 3.33Å; S225-N227 VanDerWaalsContact C-N 3.32Å; S225-N227 PolarHBondContact O-N 2.72Å; S225-L228 PolarHBondContact O-N 3.35Å; S225-V229 WeakPolarHBondContact O-CG2 3.15Å; S225-V229 PolarHBondContact O-N 3.25Å; S225-R333 PolarHBondContact OG-NH1 2.81Å
226	V	97.9	Very high	97.6	Very high	12 Å²	12	28.9 Å²	28.9	7%	0.073	15%	0.149	C	C	.	.	H	α-helix	trans	-59.6	-45.2	172.7	172.6	0	0	0	0	110.8	F217 P221 D222 D223 K230 L395 L400	F217-V226 HydrophobicContact CE1-CG2 4.25Å; F217-V226 HydrophobicContact CZ-CB 4.45Å; F217-V226 HydrophobicContact CZ-CG2 4.06Å; P221-V226 HydrophobicContact CB-CG2 3.94Å; P221-V226 HydrophobicContact CG-CG2 3.62Å; D222-V226 WeakPolarHBondContact O-CG2 3.42Å; D222-V226 PolarHBondContact O-N 2.81Å; D223-V226 PolarHBondContact O-N 3.46Å; V226-K230 HydrophobicContact CG1-CD 4.12Å; V226-K230 WeakPolarHBondContact O-CB 3.17Å; V226-K230 WeakPolarHBondContact O-CG 3.25Å; V226-K230 PolarHBondContact O-N 3.15Å; V226-L395 HydrophobicContact CG1-CD2 3.84Å; V226-L395 HydrophobicContact CG2-CD2 4.09Å; V226-L400 HydrophobicContact CG2-CD1 4.31Å
227	N	97	Very high	97.6	Very high	89 Å²	89	28.9 Å²	28.9	48%	0.476	15%	0.149	S	C	.	.	H	α-helix	trans	-65.7	-39.5	178.7	-70.4	-32.1	0	0	0	112.4	D223 R224 S225 N231 F265	D223-N227 WeakPolarHBondContact O-CB 3.24Å; D223-N227 PolarHBondContact O-N 3.08Å; D223-N227 PolarHBondContact O-ND2 2.64Å; R224-N227 PolarHBondContact O-N 2.8Å; S225-N227 VanDerWaalsContact C-N 3.32Å; S225-N227 PolarHBondContact O-N 2.72Å; N227-N231 VanDerWaalsContact O-CB 3.3Å; N227-N231 WeakPolarHBondContact O-CB 3.47Å; N227-N231 PolarHBondContact O-N 2.67Å; N227-F265 HydrophobicContact CB-CZ 4.15Å
228	L	98.3	Very high	97.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.3	-52.6	176.3	178.8	64.7	0	0	0	111.3	I196 R224 S225 K230 N231 A232 F265 I310 Q312 R333 A335	I196-L228 HydrophobicContact CD1-CD2 3.93Å; R224-L228 WeakPolarHBondContact O-CB 3.42Å; R224-L228 PolarHBondContact O-N 2.93Å; S225-L228 PolarHBondContact O-N 3.35Å; L228-K230 PolarHBondContact O-N 3.28Å; L228-N231 PolarHBondContact O-N 2.76Å; L228-N231 VanDerWaalsContact O-N 3.13Å; L228-A232 PolarHBondContact O-N 3.28Å; L228-F265 VanDerWaalsContact CA-CZ 3.48Å; L228-F265 HydrophobicContact CB-CE1 4.08Å; L228-F265 HydrophobicContact CB-CZ 3.98Å; L228-F265 HydrophobicContact CD1-CD1 3.73Å; L228-F265 HydrophobicContact CD1-CD2 4.46Å; L228-F265 HydrophobicContact CD1-CE1 3.8Å; L228-F265 HydrophobicContact CD1-CG 4.04Å; L228-F265 HydrophobicContact CD1-CZ 4.22Å; L228-I310 HydrophobicContact CD1-CB 4.49Å; L228-I310 HydrophobicContact CD1-CG2 3.97Å; L228-I310 WeakPolarHBondContact CD1-O 3.28Å; L228-Q312 HydrophobicContact CD1-CB 4.45Å; L228-Q312 HydrophobicContact CD2-CB 4.19Å; L228-R333 HydrophobicContact CD2-CB 3.73Å; L228-A335 HydrophobicContact CD2-CB 4.22Å; L228-A335 HydrophobicContact CG-CB 3.91Å
229	V	98.7	Very high	97.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-44.2	-179.4	172.8	0	0	0	0	111.2	I196 T215 F217 S225 N231 A232 Y233 A335 F337 F391	I196-V229 HydrophobicContact CD1-CG2 4.46Å; I196-V229 HydrophobicContact CG2-CG2 4.24Å; T215-V229 HydrophobicContact CG2-CG2 3.7Å; F217-V229 HydrophobicContact CD1-CG2 4.49Å; F217-V229 HydrophobicContact CE1-CB 3.93Å; F217-V229 HydrophobicContact CE1-CG1 4.28Å; F217-V229 HydrophobicContact CE1-CG2 3.63Å; F217-V229 HydrophobicContact CZ-CB 3.85Å; F217-V229 HydrophobicContact CZ-CG1 3.9Å; F217-V229 HydrophobicContact CZ-CG2 4.08Å; S225-V229 WeakPolarHBondContact O-CG2 3.15Å; S225-V229 PolarHBondContact O-N 3.25Å; V229-N231 VanDerWaalsContact C-N 3.31Å; V229-N231 PolarHBondContact O-N 3.26Å; V229-A232 PolarHBondContact O-N 2.86Å; V229-Y233 PolarHBondContact O-N 2.95Å; V229-A335 HydrophobicContact CG2-CB 4.18Å; V229-F337 HydrophobicContact CG1-CE2 3.8Å; V229-F337 HydrophobicContact CG1-CZ 3.74Å; V229-F337 WeakPolarHBondContact O-CE2 3.19Å; V229-F391 HydrophobicContact CG1-CB 4.05Å; V229-F391 HydrophobicContact CG1-CD1 3.95Å; V229-F391 HydrophobicContact CG1-CD2 3.94Å; V229-F391 HydrophobicContact CG1-CE1 4.39Å; V229-F391 HydrophobicContact CG1-CE2 4.41Å; V229-F391 HydrophobicContact CG1-CG 3.7Å
230	K	98	Very high	97.5	Very high	23 Å²	23	31 Å²	31	10%	0.1	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-41.2	174.3	-78	-178.1	176.4	-165.5	0	112.4	V226 L228 K234 F391 L395 N401 D403	V226-K230 HydrophobicContact CG1-CD 4.12Å; V226-K230 WeakPolarHBondContact O-CB 3.17Å; V226-K230 WeakPolarHBondContact O-CG 3.25Å; V226-K230 PolarHBondContact O-N 3.15Å; L228-K230 PolarHBondContact O-N 3.28Å; K230-K234 VanDerWaalsContact O-CB 3.29Å; K230-K234 WeakPolarHBondContact O-CB 3.49Å; K230-K234 PolarHBondContact O-N 3.41Å; K230-F391 HydrophobicContact CG-CE2 3.72Å; K230-F391 HydrophobicContact CG-CZ 4.23Å; K230-L395 VanDerWaalsContact CE-CD1 3.41Å; K230-N401 WeakPolarHBondContact CE-O 3.08Å; K230-N401 PolarHBondContact NZ-O 2.8Å; K230-D403 WeakPolarHBondContact CD-O 3.45Å; K230-D403 WeakPolarHBondContact CE-O 3.34Å; K230-D403 PolarHBondContact NZ-O 2.92Å
231	N	97.9	Very high	97.6	Very high	12 Å²	12	29.4 Å²	29.4	6%	0.064	14%	0.14	C	C	.	.	H	α-helix	trans	-70.8	-39.1	179.9	-171.8	-80.4	0	0	0	112.2	N227 L228 V229 K234 C235 N259 A260 F265	N227-N231 VanDerWaalsContact O-CB 3.3Å; N227-N231 WeakPolarHBondContact O-CB 3.47Å; N227-N231 PolarHBondContact O-N 2.67Å; L228-N231 PolarHBondContact O-N 2.76Å; L228-N231 VanDerWaalsContact O-N 3.13Å; V229-N231 VanDerWaalsContact C-N 3.31Å; V229-N231 PolarHBondContact O-N 3.26Å; N231-K234 WeakPolarHBondContact O-CB 3.06Å; N231-K234 PolarHBondContact O-N 2.57Å; N231-C235 PolarHBondContact O-N 3.02Å; N231-C235 PolarHBondContact O-SG 3.44Å; N231-C235 PolarHBondContact OD1-SG 3.39Å; N231-N259 PolarHBondContact ND2-O 3.31Å; N231-A260 WeakPolarHBondContact OD1-CA 3.38Å; N231-F265 HydrophobicContact CB-CD2 3.52Å; N231-F265 HydrophobicContact CB-CE2 3.52Å; N231-F265 VanDerWaalsContact CG-CD2 3.47Å
232	A	98.7	Very high	97.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.8	-47.8	173.5	0	0	0	0	0	111.6	L228 V229 K234 C235 L236 I310 A335 F337	L228-A232 PolarHBondContact O-N 3.28Å; V229-A232 PolarHBondContact O-N 2.86Å; A232-K234 VanDerWaalsContact C-N 3.34Å; A232-K234 PolarHBondContact O-N 3.24Å; A232-C235 WeakPolarHBondContact O-CB 3.4Å; A232-C235 PolarHBondContact O-N 2.94Å; A232-L236 PolarHBondContact O-N 2.87Å; A232-L236 VanDerWaalsContact O-N 3.13Å; A232-I310 HydrophobicContact CB-CB 4.08Å; A232-I310 HydrophobicContact CB-CG1 3.92Å; A232-A335 HydrophobicContact CB-CB 3.78Å; A232-F337 HydrophobicContact CB-CD2 3.89Å; A232-F337 HydrophobicContact CB-CE2 4.22Å
233	Y	98.6	Very high	97.7	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-59.8	-44	173.2	175.9	-105	0	0	0	112.1	V229 C235 L236 V237 F337 F383 P389 F391 C404	V229-Y233 PolarHBondContact O-N 2.95Å; Y233-C235 VanDerWaalsContact C-N 3.32Å; Y233-C235 PolarHBondContact O-N 2.94Å; Y233-L236 WeakPolarHBondContact O-CB 3.38Å; Y233-L236 PolarHBondContact O-N 3.3Å; Y233-L236 VanDerWaalsContact O-N 3.14Å; Y233-V237 HydrophobicContact CD1-CG1 4.43Å; Y233-V237 HydrophobicContact CD2-CG1 4.16Å; Y233-V237 HydrophobicContact CE1-CG1 3.87Å; Y233-V237 HydrophobicContact CE1-CG2 4.28Å; Y233-V237 HydrophobicContact CE2-CG1 3.54Å; Y233-V237 WeakPolarHBondContact O-CG2 3.47Å; Y233-V237 PolarHBondContact O-N 2.98Å; Y233-F337 HydrophobicContact CD2-CD1 4.2Å; Y233-F337 HydrophobicContact CD2-CE1 4.41Å; Y233-F337 HydrophobicContact CD2-CG 4.47Å; Y233-F383 HydrophobicContact CE1-CE1 4.2Å; Y233-F383 WeakPolarHBondContact OH-CD1 3.38Å; Y233-P389 HydrophobicContact CD1-CG 4.48Å; Y233-P389 HydrophobicContact CD2-CB 4.1Å; Y233-P389 HydrophobicContact CD2-CG 3.78Å; Y233-P389 HydrophobicContact CE1-CG 4.21Å; Y233-P389 HydrophobicContact CE2-CB 3.95Å; Y233-P389 HydrophobicContact CE2-CG 3.47Å; Y233-P389 VanDerWaalsContact CE2-CG 3.47Å; Y233-P389 HydrophobicContact CG-CG 4.26Å; Y233-F391 HydrophobicContact CD1-CE1 4.13Å; Y233-F391 HydrophobicContact CD1-CZ 4.1Å; Y233-F391 HydrophobicContact CD2-CE1 4.16Å; Y233-F391 AromaticContact CG-CE1 3.72Å; Y233-F391 HydrophobicContact CG-CE1 3.72Å; Y233-F391 HydrophobicContact CG-CZ 4.09Å; Y233-C404 HydrophobicContact CD1-CB 3.85Å; Y233-C404 HydrophobicContact CE1-CB 3.94Å
234	K	97.4	Very high	97.7	Very high	16 Å²	16	25.6 Å²	25.6	7%	0.07	12%	0.119	C	C	.	.	H	α-helix	trans	-59.2	-42.2	176.8	-169.1	-179.7	-48.9	-155.2	0	112	K230 N231 A232 L236 R238 C404 T405 V406	K230-K234 VanDerWaalsContact O-CB 3.29Å; K230-K234 WeakPolarHBondContact O-CB 3.49Å; K230-K234 PolarHBondContact O-N 3.41Å; N231-K234 WeakPolarHBondContact O-CB 3.06Å; N231-K234 PolarHBondContact O-N 2.57Å; A232-K234 VanDerWaalsContact C-N 3.34Å; A232-K234 PolarHBondContact O-N 3.24Å; K234-L236 VanDerWaalsContact C-N 3.32Å; K234-L236 PolarHBondContact O-N 3.1Å; K234-R238 HydrophobicContact CG-CG 4.08Å; K234-R238 VanDerWaalsContact O-CB 3.25Å; K234-R238 WeakPolarHBondContact O-CB 3.38Å; K234-R238 WeakPolarHBondContact O-CG 3.37Å; K234-R238 PolarHBondContact O-N 3.25Å; K234-C404 WeakPolarHBondContact CE-O 3.32Å; K234-C404 PolarHBondContact NZ-O 3.13Å; K234-T405 VanDerWaalsContact NZ-C 3.25Å; K234-T405 PolarHBondContact NZ-O 2.71Å; K234-V406 PolarHBondContact NZ-O 3.48Å; K234-V406 VanDerWaalsContact NZ-O 3.11Å
235	C	98.5	Very high	97.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-57.8	-45.6	175	-74.3	0	0	0	0	111.3	N231 A232 Y233 S239 I256 P308 I310	N231-C235 PolarHBondContact O-N 3.02Å; N231-C235 PolarHBondContact O-SG 3.44Å; N231-C235 PolarHBondContact OD1-SG 3.39Å; A232-C235 WeakPolarHBondContact O-CB 3.4Å; A232-C235 PolarHBondContact O-N 2.94Å; Y233-C235 VanDerWaalsContact C-N 3.32Å; Y233-C235 PolarHBondContact O-N 2.94Å; C235-S239 WeakPolarHBondContact O-CB 3.48Å; C235-S239 PolarHBondContact O-N 3.32Å; C235-S239 PolarHBondContact O-OG 2.93Å; C235-I256 HydrophobicContact CB-CG1 4.46Å; C235-I256 HydrophobicContact CB-CG2 4Å; C235-P308 HydrophobicContact CB-CB 4.16Å; C235-P308 HydrophobicContact CB-CG 4.07Å; C235-I310 HydrophobicContact CB-CD1 4.25Å; C235-I310 HydrophobicContact CB-CG1 4.37Å
236	L	98.6	Very high	97.7	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-61.2	-60	177.2	176	61.5	0	0	0	111.3	A232 Y233 K234 R238 S239 M240 I306 P308 F337	A232-L236 PolarHBondContact O-N 2.87Å; A232-L236 VanDerWaalsContact O-N 3.13Å; Y233-L236 WeakPolarHBondContact O-CB 3.38Å; Y233-L236 PolarHBondContact O-N 3.3Å; Y233-L236 VanDerWaalsContact O-N 3.14Å; K234-L236 VanDerWaalsContact C-N 3.32Å; K234-L236 PolarHBondContact O-N 3.1Å; L236-R238 VanDerWaalsContact C-N 3.34Å; L236-R238 PolarHBondContact O-N 3.28Å; L236-S239 PolarHBondContact O-N 3.25Å; L236-S239 VanDerWaalsContact O-N 3.08Å; L236-S239 PolarHBondContact O-OG 2.65Å; L236-M240 HydrophobicContact CD1-CE 4.35Å; L236-M240 HydrophobicContact CD1-CG 4.1Å; L236-M240 HydrophobicContact CD1-SD 4.05Å; L236-M240 HydrophobicContact CD2-CE 4.42Å; L236-M240 HydrophobicContact CG-CE 3.93Å; L236-M240 HydrophobicContact CG-SD 4.28Å; L236-M240 WeakPolarHBondContact O-CG 3.36Å; L236-M240 PolarHBondContact O-N 3.19Å; L236-I306 HydrophobicContact CD1-CB 3.92Å; L236-I306 HydrophobicContact CD1-CG2 3.82Å; L236-I306 WeakPolarHBondContact CD1-O 3.44Å; L236-P308 HydrophobicContact CB-CG 3.91Å; L236-F337 HydrophobicContact CB-CB 4.29Å; L236-F337 HydrophobicContact CD2-CB 3.5Å
237	V	98	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-36.1	-173.3	-61.9	0	0	0	0	113.4	Y233 S239 M240 D241 H382 Y386 T405	Y233-V237 HydrophobicContact CD1-CG1 4.43Å; Y233-V237 HydrophobicContact CD2-CG1 4.16Å; Y233-V237 HydrophobicContact CE1-CG1 3.87Å; Y233-V237 HydrophobicContact CE1-CG2 4.28Å; Y233-V237 HydrophobicContact CE2-CG1 3.54Å; Y233-V237 WeakPolarHBondContact O-CG2 3.47Å; Y233-V237 PolarHBondContact O-N 2.98Å; V237-S239 VanDerWaalsContact C-N 3.31Å; V237-S239 PolarHBondContact O-N 3.01Å; V237-M240 HydrophobicContact CB-CE 4.41Å; V237-M240 HydrophobicContact CG1-CE 3.96Å; V237-M240 PolarHBondContact O-N 2.87Å; V237-D241 PolarHBondContact O-N 3.31Å; V237-H382 HydrophobicContact CB-CB 4.49Å; V237-H382 HydrophobicContact CG1-CB 4.41Å; V237-H382 VanDerWaalsContact CG2-ND1 3.34Å; V237-H382 WeakPolarHBondContact CG2-ND1 3.22Å; V237-Y386 HydrophobicContact CB-CD2 4.1Å; V237-Y386 HydrophobicContact CB-CE2 4.26Å; V237-Y386 HydrophobicContact CG1-CD2 3.91Å; V237-T405 HydrophobicContact CG2-CG2 4.31Å
238	R	96.1	Very high	97.8	Very high	79 Å²	79	26 Å²	26	30%	0.298	14%	0.143	S	C	.	.	H	α-helix	trans	-67.7	-32.2	175.9	-69.6	-67.3	-163.1	168.3	4.4	112.7	K234 L236 I255 E378	K234-R238 HydrophobicContact CG-CG 4.08Å; K234-R238 VanDerWaalsContact O-CB 3.25Å; K234-R238 WeakPolarHBondContact O-CB 3.38Å; K234-R238 WeakPolarHBondContact O-CG 3.37Å; K234-R238 PolarHBondContact O-N 3.25Å; L236-R238 VanDerWaalsContact C-N 3.34Å; L236-R238 PolarHBondContact O-N 3.28Å; R238-I255 HydrophobicContact CB-CG2 4.11Å; R238-E378 IonicContact CZ-OE1 2.82Å; R238-E378 IonicContact CZ-OE2 3.49Å; R238-E378 VanDerWaalsContact CZ-OE2 3.28Å; R238-E378 IonicContact NE-OE1 3.57Å; R238-E378 PolarHBondContact NE-OE1 2.72Å; R238-E378 IonicContact NH1-OE1 3.71Å; R238-E378 PolarHBondContact NH1-OE1 3.24Å; R238-E378 IonicContact NH1-OE2 3.38Å; R238-E378 IonicContact NH2-OE1 2.88Å; R238-E378 PolarHBondContact NH2-OE1 3.17Å; R238-E378 IonicContact NH2-OE2 3.34Å; R238-E378 PolarHBondContact NH2-OE2 3.44Å
239	S	98.1	Very high	97.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-72.9	-40.6	174.1	71	0	0	0	0	111.6	C235 L236 V237 D241 A242 V243 M252 I306	C235-S239 WeakPolarHBondContact O-CB 3.48Å; C235-S239 PolarHBondContact O-N 3.32Å; C235-S239 PolarHBondContact O-OG 2.93Å; L236-S239 PolarHBondContact O-N 3.25Å; L236-S239 VanDerWaalsContact O-N 3.08Å; L236-S239 PolarHBondContact O-OG 2.65Å; V237-S239 VanDerWaalsContact C-N 3.31Å; V237-S239 PolarHBondContact O-N 3.01Å; S239-D241 VanDerWaalsContact C-N 3.34Å; S239-D241 PolarHBondContact O-N 3.15Å; S239-A242 PolarHBondContact O-N 3.19Å; S239-V243 PolarHBondContact O-N 3.33Å; S239-M252 VanDerWaalsContact O-SD 3.37Å; S239-I306 WeakPolarHBondContact OG-CG2 3.23Å
240	M	98	Very high	97.8	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-62.8	-37.7	175.5	-68.1	-166.9	-58.6	0	0	112.7	L236 V237 A242 V243 I306 H339 M341 I356 V358 Y386	L236-M240 HydrophobicContact CD1-CE 4.35Å; L236-M240 HydrophobicContact CD1-CG 4.1Å; L236-M240 HydrophobicContact CD1-SD 4.05Å; L236-M240 HydrophobicContact CD2-CE 4.42Å; L236-M240 HydrophobicContact CG-CE 3.93Å; L236-M240 HydrophobicContact CG-SD 4.28Å; L236-M240 WeakPolarHBondContact O-CG 3.36Å; L236-M240 PolarHBondContact O-N 3.19Å; V237-M240 HydrophobicContact CB-CE 4.41Å; V237-M240 HydrophobicContact CG1-CE 3.96Å; V237-M240 PolarHBondContact O-N 2.87Å; M240-A242 PolarHBondContact O-N 3.3Å; M240-A242 VanDerWaalsContact O-N 3.11Å; M240-V243 PolarHBondContact O-N 2.98Å; M240-V243 VanDerWaalsContact O-N 3.14Å; M240-I306 HydrophobicContact CG-CD1 4.28Å; M240-H339 HydrophobicContact SD-CB 4.19Å; M240-M341 HydrophobicContact CG-CE 3.68Å; M240-M341 HydrophobicContact CG-SD 4.05Å; M240-M341 HydrophobicContact SD-CE 3.53Å; M240-M341 VanDerWaalsContact SD-CE 3.53Å; M240-M341 HydrophobicContact SD-SD 4.3Å; M240-I356 HydrophobicContact CB-CD1 4.11Å; M240-V358 HydrophobicContact SD-CG2 4.06Å; M240-Y386 HydrophobicContact CB-CE1 4.13Å; M240-Y386 HydrophobicContact CB-CE2 4.09Å; M240-Y386 HydrophobicContact CE-CD1 3.82Å; M240-Y386 HydrophobicContact CE-CD2 3.48Å; M240-Y386 VanDerWaalsContact CE-CD2 3.48Å; M240-Y386 HydrophobicContact CE-CE1 4.24Å; M240-Y386 HydrophobicContact CE-CE2 3.93Å; M240-Y386 HydrophobicContact CE-CG 3.4Å; M240-Y386 HydrophobicContact SD-CD1 4.39Å
241	D	96.3	Very high	97.8	Very high	43 Å²	43	32.6 Å²	32.6	23%	0.23	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.1	173.4	-90.9	-23.8	0	0	0	113.1	V237 S239 F244 H382 R385 Y386	V237-D241 PolarHBondContact O-N 3.31Å; S239-D241 VanDerWaalsContact C-N 3.34Å; S239-D241 PolarHBondContact O-N 3.15Å; D241-F244 VanDerWaalsContact O-CE2 3.24Å; D241-F244 WeakPolarHBondContact O-CE2 3.09Å; D241-H382 IonicContact OD1-CD2 2.83Å; D241-H382 IonicContact OD1-NE2 3.38Å; D241-H382 IonicContact OD2-CD2 2.63Å; D241-H382 IonicContact OD2-CE1 3.35Å; D241-H382 IonicContact OD2-NE2 2.78Å; D241-H382 PolarHBondContact OD2-NE2 3.08Å; D241-R385 IonicContact OD1-NH1 3.06Å; D241-R385 PolarHBondContact OD1-NH1 3.22Å; D241-Y386 WeakPolarHBondContact CA-OH 3.31Å; D241-Y386 PolarHBondContact N-OH 3.32Å; D241-Y386 PolarHBondContact OD1-OH 3.45Å
242	A	96.7	Very high	97.8	Very high	27 Å²	27	32 Å²	32	22%	0.223	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	2.5	-178	0	0	0	0	0	113.9	S239 M240 F244 M252 I255	S239-A242 PolarHBondContact O-N 3.19Å; M240-A242 PolarHBondContact O-N 3.3Å; M240-A242 VanDerWaalsContact O-N 3.11Å; A242-F244 PolarHBondContact O-N 2.97Å; A242-M252 HydrophobicContact CB-CE 4.01Å; A242-I255 HydrophobicContact CB-CD1 3.23Å
243	V	98	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.			trans	-76.5	113.9	176.8	177.9	0	0	0	0	109.1	S239 M240 M252 M298 F304 I306 M341 I343 P355 I356	S239-V243 PolarHBondContact O-N 3.33Å; M240-V243 PolarHBondContact O-N 2.98Å; M240-V243 VanDerWaalsContact O-N 3.14Å; V243-M252 HydrophobicContact CG2-SD 3.97Å; V243-M298 HydrophobicContact CB-SD 4.32Å; V243-M298 HydrophobicContact CG1-CE 4.3Å; V243-M298 HydrophobicContact CG1-SD 3.78Å; V243-M298 HydrophobicContact CG2-CE 4.16Å; V243-F304 HydrophobicContact CG1-CZ 3.79Å; V243-F304 HydrophobicContact CG2-CZ 4.47Å; V243-I306 HydrophobicContact CG2-CD1 3.76Å; V243-M341 HydrophobicContact CG2-SD 4.26Å; V243-I343 HydrophobicContact CG1-CD1 4.02Å; V243-I343 HydrophobicContact CG1-CG1 3.98Å; V243-P355 WeakPolarHBondContact O-CG 3.26Å; V243-I356 HydrophobicContact CB-CD1 4.43Å; V243-I356 HydrophobicContact CB-CG2 3.85Å; V243-I356 HydrophobicContact CG1-CG2 3.31Å
244	F	96.7	Very high	97.8	Very high	100 Å²	100	34.9 Å²	34.9	44%	0.439	18%	0.183	S	C	.	.			trans	-142	151.7	174.2	-70.2	-98.5	0	0	0	110.7	D241 A242 G246 V247 M298 P355	D241-F244 VanDerWaalsContact O-CE2 3.24Å; D241-F244 WeakPolarHBondContact O-CE2 3.09Å; A242-F244 PolarHBondContact O-N 2.97Å; F244-G246 PolarHBondContact O-N 3.3Å; F244-V247 HydrophobicContact CB-CG2 3.84Å; F244-V247 WeakPolarHBondContact O-CB 3.36Å; F244-V247 PolarHBondContact O-N 3.43Å; F244-M298 VanDerWaalsContact O-CB 3.29Å; F244-M298 WeakPolarHBondContact O-CB 3.21Å; F244-P355 HydrophobicContact CD1-CB 4.01Å; F244-P355 HydrophobicContact CD1-CG 3.51Å; F244-P355 HydrophobicContact CD2-CG 4.43Å; F244-P355 HydrophobicContact CE1-CB 4.44Å; F244-P355 HydrophobicContact CE1-CG 3.65Å; F244-P355 HydrophobicContact CG-CG 3.9Å; F244-P355 HydrophobicContact CZ-CG 4.18Å
245	P	97.5	Very high	97.8	Very high	60 Å²	60	36.3 Å²	36.3	39%	0.39	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	130.8	163.9	-27.6	34.4	0	0	0	111.7	M298 P300 I343	P245-M298 WeakPolarHBondContact CA-O 3.48Å; P245-P300 HydrophobicContact CG-CG 4.21Å; P245-I343 HydrophobicContact CG-CG2 3.73Å
246	G	97.4	Very high	97.8	Very high	55 Å²	55	36.3 Å²	36.3	57%	0.567	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.3	-14.7	-179	0	0	0	0	0	115.2	F244 V297 M298	F244-G246 PolarHBondContact O-N 3.3Å; G246-V297 VanDerWaalsContact CA-CG1 3.47Å; G246-V297 WeakPolarHBondContact O-CG1 3.19Å; G246-M298 PolarHBondContact N-O 2.77Å
247	V	98.1	Very high	97.8	Very high	37 Å²	37	37 Å²	37	22%	0.224	20%	0.196	C	C	.	.			trans	-72.4	143.2	173.5	175.7	0	0	0	0	109.9	F244 E251 M252 M298	F244-V247 HydrophobicContact CB-CG2 3.84Å; F244-V247 WeakPolarHBondContact O-CB 3.36Å; F244-V247 PolarHBondContact O-N 3.43Å; V247-E251 HydrophobicContact CG1-CB 4.08Å; V247-E251 HydrophobicContact CG1-CG 4.1Å; V247-M252 HydrophobicContact CG1-CE 4.22Å; V247-M298 HydrophobicContact CB-SD 3.76Å; V247-M298 HydrophobicContact CG1-SD 3.93Å; V247-M298 VanDerWaalsContact O-CB 3.3Å; V247-M298 WeakPolarHBondContact O-CB 3.37Å; V247-M298 WeakPolarHBondContact O-CG 3.31Å; V247-M298 PolarHBondContact O-N 3.35Å
248	K	98.5	Very high	97.8	Very high	86 Å²	86	43.9 Å²	43.9	37%	0.374	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-84.7	139.9	176.9	-64.3	172.4	-177.9	162.5	0	109.5	R250 E251 V297	K248-R250 HydrophobicContact CB-CG 3.97Å; K248-R250 PolarHBondContact O-N 2.97Å; K248-R250 VanDerWaalsContact O-N 3.11Å; K248-E251 HydrophobicContact CB-CG 4.09Å; K248-E251 WeakPolarHBondContact O-CB 3.28Å; K248-E251 VanDerWaalsContact O-CG 3.29Å; K248-E251 WeakPolarHBondContact O-CG 3.32Å; K248-E251 PolarHBondContact O-N 2.74Å; K248-V297 HydrophobicContact CG-CG2 4.2Å
249	Y	98.4	Very high	97.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-34.4	-179.8	-76.1	-75.2	0	0	0	113.6	I108 E251 M252 P284 I286 G296 M298 H302 F304	I108-Y249 HydrophobicContact CD1-CD2 4.1Å; I108-Y249 HydrophobicContact CD1-CE2 3.57Å; Y249-E251 PolarHBondContact O-N 2.69Å; Y249-E251 VanDerWaalsContact O-N 3.15Å; Y249-M252 WeakPolarHBondContact O-CG 3.42Å; Y249-M252 PolarHBondContact O-N 3.02Å; Y249-P284 HydrophobicContact CD1-CB 4.08Å; Y249-P284 HydrophobicContact CD1-CG 3.96Å; Y249-P284 HydrophobicContact CD2-CB 3.78Å; Y249-P284 HydrophobicContact CD2-CG 4.07Å; Y249-P284 HydrophobicContact CE1-CB 4.05Å; Y249-P284 HydrophobicContact CE1-CG 3.44Å; Y249-P284 VanDerWaalsContact CE1-CG 3.44Å; Y249-P284 HydrophobicContact CE2-CB 3.79Å; Y249-P284 HydrophobicContact CE2-CG 3.61Å; Y249-P284 HydrophobicContact CG-CB 3.93Å; Y249-P284 HydrophobicContact CG-CG 4.25Å; Y249-P284 WeakPolarHBondContact OH-CG 3.44Å; Y249-I286 HydrophobicContact CD1-CD1 4.47Å; Y249-I286 HydrophobicContact CD1-CG1 3.71Å; Y249-I286 HydrophobicContact CE1-CG1 4.22Å; Y249-G296 PolarHBondContact N-O 3.14Å; Y249-M298 HydrophobicContact CD1-CE 3.74Å; Y249-M298 HydrophobicContact CD1-CG 4.1Å; Y249-M298 HydrophobicContact CD2-CG 4.46Å; Y249-M298 HydrophobicContact CE1-CE 3.95Å; Y249-M298 HydrophobicContact CE1-CG 3.7Å; Y249-M298 HydrophobicContact CE2-CG 4.05Å; Y249-M298 HydrophobicContact CG-CE 4.48Å; Y249-M298 HydrophobicContact CG-CG 4.47Å; Y249-H302 AromaticContact CZ-ND1 3.88Å; Y249-H302 PolarHBondContact OH-ND1 3.11Å; Y249-F304 AromaticContact CE1-CD1 3.93Å; Y249-F304 HydrophobicContact CE1-CD1 3.93Å; Y249-F304 HydrophobicContact CE1-CD2 4.22Å; Y249-F304 AromaticContact CE1-CE1 3.84Å; Y249-F304 HydrophobicContact CE1-CE1 3.84Å; Y249-F304 HydrophobicContact CE1-CE2 4.15Å; Y249-F304 HydrophobicContact CE1-CG 4.11Å; Y249-F304 AromaticContact CE1-CZ 3.96Å; Y249-F304 HydrophobicContact CE1-CZ 3.96Å
250	R	98	Very high	97.8	Very high	94 Å²	94	41.1 Å²	41.1	36%	0.355	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.9	177.7	70.3	-170.6	-177.6	-159.1	13.3	114.8	K248 M252 G253 N292 A294	K248-R250 HydrophobicContact CB-CG 3.97Å; K248-R250 PolarHBondContact O-N 2.97Å; K248-R250 VanDerWaalsContact O-N 3.11Å; R250-M252 PolarHBondContact O-N 2.99Å; R250-G253 PolarHBondContact O-N 3.33Å; R250-G253 VanDerWaalsContact O-N 3.17Å; R250-N292 VanDerWaalsContact CA-OD1 3.26Å; R250-N292 WeakPolarHBondContact CA-OD1 3.24Å; R250-N292 WeakPolarHBondContact CB-OD1 3.49Å; R250-N292 PolarHBondContact O-ND2 2.79Å; R250-A294 HydrophobicContact CB-CB 4.12Å
251	E	98.4	Very high	97.7	Very high	69 Å²	69	44.9 Å²	44.9	32%	0.322	24%	0.244	S	C	.	.	H	α-helix	trans	-66.2	-26.7	-177.3	-55.5	-57.9	139.8	0	0	111.6	V247 K248 Y249 G253 D254 I255	V247-E251 HydrophobicContact CG1-CB 4.08Å; V247-E251 HydrophobicContact CG1-CG 4.1Å; K248-E251 HydrophobicContact CB-CG 4.09Å; K248-E251 WeakPolarHBondContact O-CB 3.28Å; K248-E251 VanDerWaalsContact O-CG 3.29Å; K248-E251 WeakPolarHBondContact O-CG 3.32Å; K248-E251 PolarHBondContact O-N 2.74Å; Y249-E251 PolarHBondContact O-N 2.69Å; Y249-E251 VanDerWaalsContact O-N 3.15Å; E251-G253 PolarHBondContact O-N 3.45Å; E251-D254 PolarHBondContact O-N 2.84Å; E251-I255 PolarHBondContact O-N 2.79Å
252	M	98.4	Very high	97.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-55.8	-39.2	174.9	-61.8	-58	96.6	0	0	111.1	S239 A242 V243 V247 Y249 R250 D254 I255 I256 I286 M298 I306	S239-M252 VanDerWaalsContact O-SD 3.37Å; A242-M252 HydrophobicContact CB-CE 4.01Å; V243-M252 HydrophobicContact CG2-SD 3.97Å; V247-M252 HydrophobicContact CG1-CE 4.22Å; Y249-M252 WeakPolarHBondContact O-CG 3.42Å; Y249-M252 PolarHBondContact O-N 3.02Å; R250-M252 PolarHBondContact O-N 2.99Å; M252-D254 VanDerWaalsContact C-N 3.35Å; M252-D254 PolarHBondContact O-N 2.66Å; M252-I255 HydrophobicContact CE-CD1 4.07Å; M252-I255 PolarHBondContact O-N 2.98Å; M252-I256 HydrophobicContact CB-CD1 4.34Å; M252-I256 WeakPolarHBondContact O-CB 3.45Å; M252-I256 WeakPolarHBondContact O-CD1 3.14Å; M252-I256 VanDerWaalsContact O-CG1 3.3Å; M252-I256 WeakPolarHBondContact O-CG1 3.13Å; M252-I256 PolarHBondContact O-N 2.92Å; M252-I286 HydrophobicContact CB-CG2 3.89Å; M252-I286 HydrophobicContact CG-CG2 3.87Å; M252-M298 HydrophobicContact CE-CE 3.92Å; M252-M298 HydrophobicContact CG-CE 3.95Å; M252-M298 HydrophobicContact SD-CE 4Å; M252-I306 HydrophobicContact CG-CD1 4.32Å; M252-I306 HydrophobicContact SD-CD1 3.8Å
253	G	98.7	Very high	97.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.4	-34	-178	0	0	0	0	0	114.1	R250 E251 S257 L287 H288 Y289 S290	R250-G253 PolarHBondContact O-N 3.33Å; R250-G253 VanDerWaalsContact O-N 3.17Å; E251-G253 PolarHBondContact O-N 3.45Å; G253-S257 WeakPolarHBondContact O-CB 3.37Å; G253-S257 PolarHBondContact O-N 3.32Å; G253-S257 PolarHBondContact O-OG 3.24Å; G253-L287 WeakPolarHBondContact CA-O 3.16Å; G253-L287 PolarHBondContact N-O 3.27Å; G253-H288 VanDerWaalsContact CA-O 3.24Å; G253-H288 WeakPolarHBondContact CA-O 3.4Å; G253-H288 VanDerWaalsContact O-O 3.1Å; G253-Y289 WeakPolarHBondContact CA-O 3.18Å; G253-Y289 CarbonylContact O-C 3.53Å; G253-S290 PolarHBondContact O-N 3.17Å
254	D	98.4	Very high	97.3	Very high	64 Å²	64	50.5 Å²	50.5	34%	0.342	29%	0.292	S	S	.	.	H	α-helix	trans	-70.1	-40.2	176.1	-72.2	-18.6	0	0	0	111.2	E251 M252 K258 S290 R291	E251-D254 PolarHBondContact O-N 2.84Å; M252-D254 VanDerWaalsContact C-N 3.35Å; M252-D254 PolarHBondContact O-N 2.66Å; D254-K258 VanDerWaalsContact O-CB 3.29Å; D254-K258 WeakPolarHBondContact O-CB 3.46Å; D254-K258 PolarHBondContact O-N 3.38Å; D254-K258 VanDerWaalsContact O-N 3.09Å; D254-S290 WeakPolarHBondContact OD1-CA 3.34Å; D254-S290 WeakPolarHBondContact OD1-CB 3.15Å; D254-S290 PolarHBondContact OD1-OG 3.34Å; D254-R291 PolarHBondContact OD1-N 2.9Å
255	I	97.8	Very high	97.4	Very high	45 Å²	45	46.8 Å²	46.8	23%	0.231	28%	0.276	C	S	.	.	H	α-helix	trans	-66.3	-49.2	177.9	-64.6	164.6	0	0	0	110.9	R238 A242 E251 M252 K258 N259	R238-I255 HydrophobicContact CB-CG2 4.11Å; A242-I255 HydrophobicContact CB-CD1 3.23Å; E251-I255 PolarHBondContact O-N 2.79Å; M252-I255 HydrophobicContact CE-CD1 4.07Å; M252-I255 PolarHBondContact O-N 2.98Å; I255-K258 PolarHBondContact O-N 3.48Å; I255-N259 PolarHBondContact O-N 3.17Å; I255-N259 VanDerWaalsContact O-N 3.15Å; I255-N259 PolarHBondContact O-ND2 3.4Å
256	I	98.7	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-49.5	-178.8	-69.7	162.8	0	0	0	110.1	C235 M252 K258 N259 A260 V267 H288 I306 P308 I310	C235-I256 HydrophobicContact CB-CG1 4.46Å; C235-I256 HydrophobicContact CB-CG2 4Å; M252-I256 HydrophobicContact CB-CD1 4.34Å; M252-I256 WeakPolarHBondContact O-CB 3.45Å; M252-I256 WeakPolarHBondContact O-CD1 3.14Å; M252-I256 VanDerWaalsContact O-CG1 3.3Å; M252-I256 WeakPolarHBondContact O-CG1 3.13Å; M252-I256 PolarHBondContact O-N 2.92Å; I256-K258 VanDerWaalsContact C-N 3.29Å; I256-K258 PolarHBondContact O-N 3.03Å; I256-N259 PolarHBondContact O-N 2.93Å; I256-N259 VanDerWaalsContact O-N 3.13Å; I256-A260 WeakPolarHBondContact O-CB 3.4Å; I256-A260 PolarHBondContact O-N 3.05Å; I256-V267 HydrophobicContact CG2-CG1 4.14Å; I256-V267 HydrophobicContact CG2-CG2 3.95Å; I256-H288 HydrophobicContact CD1-CB 4Å; I256-H288 VanDerWaalsContact CD1-CD2 3.48Å; I256-H288 WeakPolarHBondContact CD1-CD2 3.39Å; I256-H288 HydrophobicContact CG2-CB 4.08Å; I256-I306 HydrophobicContact CD1-CG2 4.22Å; I256-P308 HydrophobicContact CD1-CB 4.21Å; I256-P308 HydrophobicContact CG1-CB 4.5Å; I256-P308 HydrophobicContact CG2-CB 3.87Å; I256-I310 HydrophobicContact CG2-CD1 4.11Å
257	S	98.6	Very high	97.5	Very high	17 Å²	17	42.8 Å²	42.8	12%	0.119	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-37.7	180	-66.4	0	0	0	0	113.2	G253 S261 H288 Y289 S290	G253-S257 WeakPolarHBondContact O-CB 3.37Å; G253-S257 PolarHBondContact O-N 3.32Å; G253-S257 PolarHBondContact O-OG 3.24Å; S257-S261 VanDerWaalsContact O-CB 3.28Å; S257-S261 WeakPolarHBondContact O-CB 3.48Å; S257-S261 PolarHBondContact O-N 3Å; S257-S261 PolarHBondContact O-OG 2.95Å; S257-H288 PolarHBondContact OG-O 2.9Å; S257-Y289 VanDerWaalsContact OG-CA 3.3Å; S257-Y289 WeakPolarHBondContact OG-CA 3.17Å; S257-S290 PolarHBondContact OG-N 3.47Å
258	K	97.5	Very high	97.6	Very high	143 Å²	143	41 Å²	41	62%	0.622	23%	0.23	S	C	*	.	H	α-helix	trans	-63	-46.6	175.4	-178	179.2	177	-177.1	0	111.2	D254 I255 I256 S261 L262	D254-K258 VanDerWaalsContact O-CB 3.29Å; D254-K258 WeakPolarHBondContact O-CB 3.46Å; D254-K258 PolarHBondContact O-N 3.38Å; D254-K258 VanDerWaalsContact O-N 3.09Å; I255-K258 PolarHBondContact O-N 3.48Å; I256-K258 VanDerWaalsContact C-N 3.29Å; I256-K258 PolarHBondContact O-N 3.03Å; K258-S261 PolarHBondContact O-N 3.31Å; K258-L262 HydrophobicContact CG-CD1 4.17Å; K258-L262 WeakPolarHBondContact O-CB 3.47Å; K258-L262 VanDerWaalsContact O-CG 3.27Å; K258-L262 WeakPolarHBondContact O-CG 3.16Å; K258-L262 PolarHBondContact O-N 3.38Å
259	N	95.2	Very high	97.6	Very high	21 Å²	21	40.9 Å²	40.9	11%	0.112	23%	0.229	C	C	.	.	H	α-helix	trans	-66	-42.1	179.4	-78.7	-75	0	0	0	112.4	N231 I255 I256 L262 G263	N231-N259 PolarHBondContact ND2-O 3.31Å; I255-N259 PolarHBondContact O-N 3.17Å; I255-N259 VanDerWaalsContact O-N 3.15Å; I255-N259 PolarHBondContact O-ND2 3.4Å; I256-N259 PolarHBondContact O-N 2.93Å; I256-N259 VanDerWaalsContact O-N 3.13Å; N259-L262 PolarHBondContact O-N 2.98Å; N259-G263 PolarHBondContact O-N 3.24Å
260	A	97.8	Very high	97.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-50	175.3	0	0	0	0	0	111.5	N231 I256 L262 G263 G264 F265 V267 I310	N231-A260 WeakPolarHBondContact OD1-CA 3.38Å; I256-A260 WeakPolarHBondContact O-CB 3.4Å; I256-A260 PolarHBondContact O-N 3.05Å; A260-L262 PolarHBondContact O-N 2.95Å; A260-G263 WeakPolarHBondContact O-CA 3.34Å; A260-G263 PolarHBondContact O-N 3.4Å; A260-G264 PolarHBondContact O-N 3.19Å; A260-F265 CarbonylContact C-O 3.46Å; A260-F265 PolarHBondContact O-N 3.17Å; A260-V267 HydrophobicContact CB-CG2 3.52Å; A260-I310 HydrophobicContact CB-CD1 4.02Å; A260-I310 HydrophobicContact CB-CG2 4.42Å
261	S	96.8	Very high	97.6	Very high	82 Å²	82	42.6 Å²	42.6	57%	0.573	25%	0.245	S	C	*	.	H	α-helix	trans	-63.9	-38.5	-178.2	-55.6	0	0	0	0	112.5	S257 K258 G263 G264	S257-S261 VanDerWaalsContact O-CB 3.28Å; S257-S261 WeakPolarHBondContact O-CB 3.48Å; S257-S261 PolarHBondContact O-N 3Å; S257-S261 PolarHBondContact O-OG 2.95Å; K258-S261 PolarHBondContact O-N 3.31Å; S261-G263 PolarHBondContact O-N 3.08Å; S261-G264 PolarHBondContact O-N 2.65Å
262	L	94.4	Very high	97.6	Very high	92 Å²	92	40.6 Å²	40.6	48%	0.482	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-24.9	174.8	-74.9	172.1	0	0	0	112.9	K258 N259 A260	K258-L262 HydrophobicContact CG-CD1 4.17Å; K258-L262 WeakPolarHBondContact O-CB 3.47Å; K258-L262 VanDerWaalsContact O-CG 3.27Å; K258-L262 WeakPolarHBondContact O-CG 3.16Å; K258-L262 PolarHBondContact O-N 3.38Å; N259-L262 PolarHBondContact O-N 2.98Å; A260-L262 PolarHBondContact O-N 2.95Å
263	G	92.4	Very high	97.6	Very high	33 Å²	33	40.6 Å²	40.6	34%	0.34	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-3.5	172.8	0	0	0	0	0	114.7	N259 A260 S261 F265	N259-G263 PolarHBondContact O-N 3.24Å; A260-G263 WeakPolarHBondContact O-CA 3.34Å; A260-G263 PolarHBondContact O-N 3.4Å; S261-G263 PolarHBondContact O-N 3.08Å; G263-F265 WeakPolarHBondContact O-CD2 3.5Å; G263-F265 WeakPolarHBondContact O-CE2 3.41Å
264	G	96.2	Very high	97.6	Very high	63 Å²	63	40.9 Å²	40.9	65%	0.649	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	24.7	-173	0	0	0	0	0	113.9	A260 S261	A260-G264 PolarHBondContact O-N 3.19Å; S261-G264 PolarHBondContact O-N 2.65Å
265	F	98.4	Very high	97.6	Very high	22 Å²	22	37.9 Å²	37.9	10%	0.096	22%	0.224	C	C	.	.			trans	-115.1	170.7	-179.6	-57.7	-57.8	0	0	0	111.6	N227 L228 N231 A260 G263 I310 N311 Q312	N227-F265 HydrophobicContact CB-CZ 4.15Å; L228-F265 VanDerWaalsContact CA-CZ 3.48Å; L228-F265 HydrophobicContact CB-CE1 4.08Å; L228-F265 HydrophobicContact CB-CZ 3.98Å; L228-F265 HydrophobicContact CD1-CD1 3.73Å; L228-F265 HydrophobicContact CD1-CD2 4.46Å; L228-F265 HydrophobicContact CD1-CE1 3.8Å; L228-F265 HydrophobicContact CD1-CG 4.04Å; L228-F265 HydrophobicContact CD1-CZ 4.22Å; N231-F265 HydrophobicContact CB-CD2 3.52Å; N231-F265 HydrophobicContact CB-CE2 3.52Å; N231-F265 VanDerWaalsContact CG-CD2 3.47Å; A260-F265 CarbonylContact C-O 3.46Å; A260-F265 PolarHBondContact O-N 3.17Å; G263-F265 WeakPolarHBondContact O-CD2 3.5Å; G263-F265 WeakPolarHBondContact O-CE2 3.41Å; F265-I310 HydrophobicContact CB-CG2 3.49Å; F265-I310 VanDerWaalsContact CB-CG2 3.49Å; F265-I310 HydrophobicContact CD2-CG2 4.44Å; F265-I310 HydrophobicContact CG-CG2 4.08Å; F265-N311 WeakPolarHBondContact CB-O 3.41Å; F265-Q312 HydrophobicContact CE1-CG 4.38Å
266	S	98.7	Very high	97.6	Very high	21 Å²	21	35.7 Å²	35.7	15%	0.147	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	161.8	177.6	72.7	0	0	0	0	112.2	I310 N311 G313 D314 W315	S266-I310 CarbonylContact O-C 3.5Å; S266-I310 WeakPolarHBondContact O-CA 3.43Å; S266-N311 PolarHBondContact N-O 3.05Å; S266-N311 PolarHBondContact O-N 2.88Å; S266-G313 WeakPolarHBondContact CB-O 3.45Å; S266-G313 PolarHBondContact OG-O 3.4Å; S266-D314 PolarHBondContact OG-O 3.26Å; S266-W315 WeakPolarHBondContact OG-CA 3.21Å; S266-W315 PolarHBondContact OG-N 3.26Å; S266-W315 VanDerWaalsContact OG-N 3.13Å
267	V	98.9	Very high	97.6	Very high	9 Å²	9	36.5 Å²	36.5	6%	0.055	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127	-177.3	-173.3	0	0	0	0	109.4	I256 A260 H288 I310 W315	I256-V267 HydrophobicContact CG2-CG1 4.14Å; I256-V267 HydrophobicContact CG2-CG2 3.95Å; A260-V267 HydrophobicContact CB-CG2 3.52Å; V267-H288 HydrophobicContact CG1-CB 3.55Å; V267-I310 HydrophobicContact CB-CD1 4.45Å; V267-I310 HydrophobicContact CG1-CD1 4.38Å; V267-I310 HydrophobicContact CG2-CD1 3.86Å; V267-W315 VanDerWaalsContact O-CB 3.23Å; V267-W315 WeakPolarHBondContact O-CB 3.25Å
268	V	98.8	Very high	97.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	23%	0.234	C	C	.	.			trans	-61	141.7	174.8	-179.9	0	0	0	0	110.3	I181 Y271 M309 N311	I181-V268 HydrophobicContact CD1-CG1 4.47Å; I181-V268 HydrophobicContact CD1-CG2 3.88Å; I181-V268 HydrophobicContact CG1-CG2 4.26Å; I181-V268 HydrophobicContact CG2-CB 4.46Å; I181-V268 HydrophobicContact CG2-CG1 4.28Å; I181-V268 HydrophobicContact CG2-CG2 3.82Å; V268-Y271 HydrophobicContact CG1-CD2 3.87Å; V268-M309 HydrophobicContact CB-CB 3.9Å; V268-M309 HydrophobicContact CG2-CB 3.8Å; V268-M309 PolarHBondContact N-O 3.42Å; V268-M309 VanDerWaalsContact N-O 3.12Å; V268-N311 WeakPolarHBondContact CG2-ND2 3.32Å; V268-N311 WeakPolarHBondContact CG2-OD1 3.49Å
269	K	98.4	Very high	97.6	Very high	82 Å²	82	36.1 Å²	36.1	36%	0.357	21%	0.211	S	C	.	.	S	Bend	trans	-111.1	-13.7	-173.3	-58	-172.5	-173.9	161.6	0	114.8	Y289 W315	K269-Y289 HydrophobicContact CB-CD1 3.83Å; K269-Y289 HydrophobicContact CB-CE1 4.14Å; K269-Y289 HydrophobicContact CB-CG 4.32Å; K269-Y289 HydrophobicContact CD-CD2 4.44Å; K269-Y289 HydrophobicContact CD-CG 4.19Å; K269-Y289 HydrophobicContact CG-CD1 3.88Å; K269-Y289 HydrophobicContact CG-CG 3.89Å; K269-W315 HydrophobicContact CB-CE3 3.87Å; K269-W315 HydrophobicContact CB-CZ3 4.04Å; K269-W315 HydrophobicContact CD-CD2 3.78Å; K269-W315 HydrophobicContact CD-CE3 3.56Å; K269-W315 HydrophobicContact CD-CG 4.39Å; K269-W315 HydrophobicContact CD-CH2 4.32Å; K269-W315 HydrophobicContact CD-CZ3 3.86Å; K269-W315 HydrophobicContact CG-CD2 4.11Å; K269-W315 HydrophobicContact CG-CE3 3.62Å; K269-W315 HydrophobicContact CG-CZ3 4.17Å
270	T	98.4	Very high	97.8	Very high	84 Å²	84	35.7 Å²	35.7	52%	0.515	21%	0.208	S	C	.	.	S	Bend	trans	-83	-32.3	-174.4	-58.1	0	0	0	0	112.3	D317	T270-D317 VanDerWaalsContact CB-OD1 3.3Å; T270-D317 WeakPolarHBondContact CB-OD1 3.39Å; T270-D317 PolarHBondContact OG1-OD1 3.14Å; T270-D317 PolarHBondContact OG1-OD2 2.76Å
271	Y	98.3	Very high	97.8	Very high	46 Å²	46	38.7 Å²	38.7	18%	0.18	22%	0.222	C	C	.	.			trans	-112.6	159.6	-176.9	-53.7	-79.6	0	0	0	111.4	H183 V268 M309 A326	H183-Y271 AromaticContact CE1-CD1 3.73Å; H183-Y271 AromaticContact CE1-CE1 3.64Å; H183-Y271 AromaticContact ND1-CE1 3.91Å; V268-Y271 HydrophobicContact CG1-CD2 3.87Å; Y271-M309 VanDerWaalsContact CB-CE 3.41Å; Y271-M309 VanDerWaalsContact CB-SD 3.58Å; Y271-M309 HydrophobicContact CD2-SD 4.16Å; Y271-M309 HydrophobicContact CG-SD 4.14Å; Y271-A326 HydrophobicContact CE2-CB 3.6Å; Y271-A326 WeakPolarHBondContact OH-CB 3.41Å
272	S	98	Very high	97.8	Very high	27 Å²	27	35.4 Å²	35.4	19%	0.189	20%	0.198	C	C	.	.			trans	-156.1	156.2	-168.8	65.5	0	0	0	0	111.9	I286	S272-I286 WeakPolarHBondContact CB-O 3.25Å
273	G	98.7	Very high	97.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	160.8	160.7	0	0	0	0	0	112.1	N285 I286 H288 T305 E307	G273-N285 CarbonylContact O-C 3.46Å; G273-N285 WeakPolarHBondContact O-CA 3.47Å; G273-I286 PolarHBondContact N-O 3.02Å; G273-I286 PolarHBondContact O-N 3.08Å; G273-H288 PolarHBondContact N-CE1 3.11Å; G273-H288 PolarHBondContact N-NE2 3.43Å; G273-T305 WeakPolarHBondContact CA-OG1 3.39Å; G273-E307 VanDerWaalsContact CA-OE1 3.28Å; G273-E307 WeakPolarHBondContact CA-OE1 3.15Å
274	H	98.4	Very high	98.1	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.028	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	161.8	-177	57.8	90	0	0	0	112.4	D211 F280 H281 P284 F304 T305 E307	D211-H274 IonicContact OD2-NE2 3.32Å; H274-F280 PolarHBondContact CE1-O 3.43Å; H274-F280 PolarHBondContact ND1-O 2.99Å; H274-H281 AromaticContact CD2-CD2 3.4Å; H274-H281 PolarHBondContact CD2-CD2 2.84Å; H274-H281 AromaticContact CD2-NE2 3.87Å; H274-H281 AromaticContact CE1-CD2 3.81Å; H274-H281 AromaticContact CG-CD2 3.59Å; H274-H281 AromaticContact ND1-CD2 3.86Å; H274-H281 AromaticContact NE2-CD2 3.53Å; H274-H281 AromaticContact NE2-NE2 3.65Å; H274-P284 CarbonylContact C-O 3.56Å; H274-P284 VanDerWaalsContact C-O 3.27Å; H274-P284 WeakPolarHBondContact CA-O 3.46Å; H274-F304 CarbonylContact O-C 3.45Å; H274-F304 WeakPolarHBondContact O-CA 3.25Å; H274-F304 VanDerWaalsContact O-CB 3.25Å; H274-F304 WeakPolarHBondContact O-CB 3.21Å; H274-T305 PolarHBondContact CD2-OG1 3.43Å; H274-T305 PolarHBondContact N-OG1 3.11Å; H274-T305 PolarHBondContact O-N 3.14Å; H274-T305 PolarHBondContact O-OG1 3.33Å; H274-E307 IonicContact CD2-OE1 2.7Å; H274-E307 PolarHBondContact CD2-OE1 3.34Å; H274-E307 IonicContact NE2-OE1 3.23Å
275	G	98.5	Very high	98.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	145.2	161.5	0	0	0	0	0	109.5	C282 P284	G275-C282 WeakPolarHBondContact CA-O 3.31Å; G275-C282 PolarHBondContact N-O 3.13Å; G275-C282 PolarHBondContact O-N 2.95Å; G275-C282 VanDerWaalsContact O-N 3.09Å; G275-C282 PolarHBondContact O-SG 3.45Å; G275-P284 VanDerWaalsContact CA-CD 3.49Å; G275-P284 PolarHBondContact N-O 3.3Å
276	I	98.8	Very high	98.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.			trans	-145	134.4	-178.8	-170.8	172.4	0	0	0	110.2	M119 T202 H209 D211 C303 T305 T340	M119-I276 HydrophobicContact CE-CG1 4.45Å; M119-I276 HydrophobicContact CE-CG2 3.99Å; M119-I276 WeakPolarHBondContact CE-O 3.19Å; T202-I276 HydrophobicContact CG2-CD1 4.47Å; H209-I276 HydrophobicContact CB-CD1 3.81Å; H209-I276 HydrophobicContact CB-CG1 3.77Å; D211-I276 HydrophobicContact CB-CD1 3.55Å; I276-C303 PolarHBondContact N-O 3.41Å; I276-T305 HydrophobicContact CB-CG2 4.41Å; I276-T305 HydrophobicContact CD1-CG2 4.48Å; I276-T305 HydrophobicContact CG2-CG2 3.99Å; I276-T340 HydrophobicContact CG2-CG2 3.69Å
277	H	98.4	Very high	98.1	Very high	17 Å²	17	32 Å²	32	8%	0.079	16%	0.16	C	C	.	.	S	Bend	trans	-168.6	-122.1	175.2	49	69.5	0	0	0	108.8	V109 L111 M119 F208 H209 L279 C282	V109-H277 WeakPolarHBondContact CG2-NE2 3.36Å; L111-H277 HydrophobicContact CD1-CB 4.36Å; L111-H277 HydrophobicContact CD2-CB 3.94Å; M119-H277 HydrophobicContact SD-CB 4.37Å; F208-H277 HydrophobicContact CD1-CB 4.19Å; F208-H277 HydrophobicContact CE1-CB 4.34Å; H209-H277 PolarHBondContact CD2-O 3.09Å; H209-H277 VanDerWaalsContact CD2-O 3.29Å; H209-H277 PolarHBondContact N-O 3.48Å; H277-L279 PolarHBondContact N-O 2.71Å; H277-L279 VanDerWaalsContact N-O 3.09Å; H277-L279 PolarHBondContact ND1-N 3.48Å; H277-L279 PolarHBondContact O-N 2.91Å; H277-C282 PolarHBondContact NE2-SG 2.81Å
278	R	98.1	Very high	98.1	Very high	128 Å²	128	31.7 Å²	31.7	48%	0.483	16%	0.157	S	C	.	.	S	Bend	trans	-58.3	-20.8	164.7	-52.7	179.1	-176	-79.9	0.8	115.5	E115 G207 F208	E115-R278 IonicContact OE1-CZ 2.83Å; E115-R278 VanDerWaalsContact OE1-CZ 3.31Å; E115-R278 IonicContact OE1-NE 3.25Å; E115-R278 PolarHBondContact OE1-NE 2.59Å; E115-R278 IonicContact OE1-NH2 3.93Å; E115-R278 PolarHBondContact OE1-NH2 3.29Å; G207-R278 VanDerWaalsContact O-CA 3.24Å; G207-R278 WeakPolarHBondContact O-CA 3.33Å; F208-R278 HydrophobicContact CD1-CG 4.11Å; F208-R278 HydrophobicContact CE1-CG 3.74Å; F208-R278 HydrophobicContact CE2-CG 4.47Å; F208-R278 HydrophobicContact CZ-CG 3.94Å; F208-R278 VanDerWaalsContact CZ-CZ 3.44Å
279	L	98.2	Very high	98.1	Very high	24 Å²	24	34.6 Å²	34.6	13%	0.126	17%	0.169	C	C	.	.	S	Bend	trans	-106.3	139.5	173.2	-60.3	-177.1	0	0	0	106.9	E99 A102 H209 H277 C282	E99-L279 HydrophobicContact CG-CB 4.08Å; E99-L279 HydrophobicContact CG-CD2 3.91Å; E99-L279 HydrophobicContact CG-CG 4.39Å; A102-L279 HydrophobicContact CB-CD1 3.67Å; H209-L279 VanDerWaalsContact CD2-C 3.48Å; H277-L279 PolarHBondContact N-O 2.71Å; H277-L279 VanDerWaalsContact N-O 3.09Å; H277-L279 PolarHBondContact ND1-N 3.48Å; H277-L279 PolarHBondContact O-N 2.91Å; L279-C282 HydrophobicContact CB-CB 3.99Å; L279-C282 HydrophobicContact CD1-CB 3.81Å
280	F	98.5	Very high	98.1	Very high	11 Å²	11	33 Å²	33	5%	0.048	17%	0.168	C	C	.	.	S	Bend	trans	-66.7	-52.5	176.5	-169.8	177.7	0	0	0	107.9	E99 P163 Y166 T202 H209 D211 H274	E99-F280 WeakPolarHBondContact OE1-CA 3.25Å; E99-F280 WeakPolarHBondContact OE1-CB 3.48Å; E99-F280 PolarHBondContact OE1-N 3.1Å; P163-F280 HydrophobicContact CG-CZ 4.45Å; Y166-F280 HydrophobicContact CD1-CD1 4.29Å; Y166-F280 HydrophobicContact CD1-CE1 4.26Å; Y166-F280 HydrophobicContact CD2-CD1 4.06Å; Y166-F280 HydrophobicContact CE1-CD1 4.38Å; Y166-F280 HydrophobicContact CE2-CD1 4.15Å; Y166-F280 HydrophobicContact CG-CD1 4.13Å; Y166-F280 HydrophobicContact CG-CE1 4.32Å; T202-F280 HydrophobicContact CG2-CD2 3.8Å; T202-F280 HydrophobicContact CG2-CE2 3.36Å; T202-F280 HydrophobicContact CG2-CZ 3.75Å; T202-F280 WeakPolarHBondContact OG1-CE2 3.47Å; T202-F280 WeakPolarHBondContact OG1-CZ 3.49Å; H209-F280 PolarHBondContact CD2-N 3.02Å; H209-F280 VanDerWaalsContact CD2-N 3.33Å; D211-F280 WeakPolarHBondContact OD2-CE2 3.1Å; H274-F280 PolarHBondContact CE1-O 3.43Å; H274-F280 PolarHBondContact ND1-O 2.99Å
281	H	97.7	Very high	98	Very high	64 Å²	64	39.6 Å²	39.6	30%	0.296	18%	0.183	S	C	.	.	S	Bend	trans	-119.2	123	175.5	-59.3	83.2	0	0	0	112	E99 Y166 H274	E99-H281 PolarHBondContact OE1-N 2.96Å; Y166-H281 AromaticContact CE1-CE1 3.81Å; Y166-H281 AromaticContact CE1-ND1 3.74Å; Y166-H281 AromaticContact CZ-ND1 3.51Å; Y166-H281 PolarHBondContact OH-ND1 3.07Å; H274-H281 AromaticContact CD2-CD2 3.4Å; H274-H281 PolarHBondContact CD2-CD2 2.84Å; H274-H281 AromaticContact CD2-NE2 3.87Å; H274-H281 AromaticContact CE1-CD2 3.81Å; H274-H281 AromaticContact CG-CD2 3.59Å; H274-H281 AromaticContact ND1-CD2 3.86Å; H274-H281 AromaticContact NE2-CD2 3.53Å; H274-H281 AromaticContact NE2-NE2 3.65Å
282	C	97.3	Very high	98	Very high	12 Å²	12	37.8 Å²	37.8	8%	0.081	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	174.9	173.8	69.9	0	0	0	0	112	G275 H277 L279	G275-C282 WeakPolarHBondContact CA-O 3.31Å; G275-C282 PolarHBondContact N-O 3.13Å; G275-C282 PolarHBondContact O-N 2.95Å; G275-C282 VanDerWaalsContact O-N 3.09Å; G275-C282 PolarHBondContact O-SG 3.45Å; H277-C282 PolarHBondContact NE2-SG 2.81Å; L279-C282 HydrophobicContact CB-CB 3.99Å; L279-C282 HydrophobicContact CD1-CB 3.81Å
283	P	96.9	Very high	97.9	Very high	37 Å²	37	45.3 Å²	45.3	24%	0.24	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	143.6	170.5	-24.9	35.4	0	0	0	112.4	I108	I108-P283 HydrophobicContact CG1-CB 4.21Å
284	P	97.2	Very high	97.7	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.013	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-85	158.8	9.7	18.8	-5.4	0	0	0	112.4	I108 Y249 H274 G275 I286 F304	I108-P284 HydrophobicContact CD1-CB 3.73Å; I108-P284 HydrophobicContact CD1-CG 3.95Å; I108-P284 HydrophobicContact CG1-CB 4.04Å; I108-P284 HydrophobicContact CG1-CG 4.17Å; I108-P284 HydrophobicContact CG2-CG 4.05Å; Y249-P284 HydrophobicContact CD1-CB 4.08Å; Y249-P284 HydrophobicContact CD1-CG 3.96Å; Y249-P284 HydrophobicContact CD2-CB 3.78Å; Y249-P284 HydrophobicContact CD2-CG 4.07Å; Y249-P284 HydrophobicContact CE1-CB 4.05Å; Y249-P284 HydrophobicContact CE1-CG 3.44Å; Y249-P284 VanDerWaalsContact CE1-CG 3.44Å; Y249-P284 HydrophobicContact CE2-CB 3.79Å; Y249-P284 HydrophobicContact CE2-CG 3.61Å; Y249-P284 HydrophobicContact CG-CB 3.93Å; Y249-P284 HydrophobicContact CG-CG 4.25Å; Y249-P284 WeakPolarHBondContact OH-CG 3.44Å; H274-P284 CarbonylContact C-O 3.56Å; H274-P284 VanDerWaalsContact C-O 3.27Å; H274-P284 WeakPolarHBondContact CA-O 3.46Å; G275-P284 VanDerWaalsContact CA-CD 3.49Å; G275-P284 PolarHBondContact N-O 3.3Å; P284-I286 HydrophobicContact CB-CD1 4.37Å; P284-I286 HydrophobicContact CG-CD1 4.14Å; P284-I286 WeakPolarHBondContact O-CD1 3.45Å; P284-F304 HydrophobicContact CG-CB 4.43Å
285	N	96.1	Very high	97.5	Very high	92 Å²	92	50.8 Å²	50.8	49%	0.492	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.9	162.2	-65.3	5.4	0	0	0	108.9	G273	G273-N285 CarbonylContact O-C 3.46Å; G273-N285 WeakPolarHBondContact O-CA 3.47Å
286	I	98.5	Very high	97.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	89.7	-179.2	-56.6	86	0	0	0	108	Y249 M252 S272 G273 P284 H288 F304 T305 I306	Y249-I286 HydrophobicContact CD1-CD1 4.47Å; Y249-I286 HydrophobicContact CD1-CG1 3.71Å; Y249-I286 HydrophobicContact CE1-CG1 4.22Å; M252-I286 HydrophobicContact CB-CG2 3.89Å; M252-I286 HydrophobicContact CG-CG2 3.87Å; S272-I286 WeakPolarHBondContact CB-O 3.25Å; G273-I286 PolarHBondContact N-O 3.02Å; G273-I286 PolarHBondContact O-N 3.08Å; P284-I286 HydrophobicContact CB-CD1 4.37Å; P284-I286 HydrophobicContact CG-CD1 4.14Å; P284-I286 WeakPolarHBondContact O-CD1 3.45Å; I286-H288 PolarHBondContact O-CD2 2.98Å; I286-H288 PolarHBondContact O-NE2 3.05Å; I286-F304 HydrophobicContact CD1-CB 3.85Å; I286-F304 HydrophobicContact CD1-CD2 4.02Å; I286-F304 HydrophobicContact CD1-CG 4.22Å; I286-F304 HydrophobicContact CG1-CD2 4.12Å; I286-T305 WeakPolarHBondContact CD1-O 3.5Å; I286-I306 HydrophobicContact CG2-CG1 4.37Å
287	L	98.6	Very high	97.3	Very high	30 Å²	30	54.5 Å²	54.5	16%	0.157	27%	0.268	C	S	.	.			trans	-76.5	124.5	-179.1	-57.3	178.2	0	0	0	110.2	G253 Y289 N292 A294	G253-L287 WeakPolarHBondContact CA-O 3.16Å; G253-L287 PolarHBondContact N-O 3.27Å; L287-Y289 HydrophobicContact CB-CD1 4.28Å; L287-Y289 HydrophobicContact CB-CE1 3.96Å; L287-Y289 HydrophobicContact CD1-CE1 4.17Å; L287-Y289 HydrophobicContact CD2-CE1 4.28Å; L287-Y289 HydrophobicContact CG-CE1 4.36Å; L287-N292 HydrophobicContact CB-CB 3.7Å; L287-N292 HydrophobicContact CD1-CB 3.71Å; L287-N292 HydrophobicContact CG-CB 4.35Å; L287-N292 PolarHBondContact O-ND2 3.25Å; L287-A294 HydrophobicContact CD1-CB 4.11Å; L287-A294 HydrophobicContact CG-CB 4.18Å
288	H	98.7	Very high	97.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	27%	0.265	C	S	.	.			trans	-84	-8.5	-173.5	-53.7	126.3	0	0	0	114.7	G253 I256 S257 V267 G273 I286 E307	G253-H288 VanDerWaalsContact CA-O 3.24Å; G253-H288 WeakPolarHBondContact CA-O 3.4Å; G253-H288 VanDerWaalsContact O-O 3.1Å; I256-H288 HydrophobicContact CD1-CB 4Å; I256-H288 VanDerWaalsContact CD1-CD2 3.48Å; I256-H288 WeakPolarHBondContact CD1-CD2 3.39Å; I256-H288 HydrophobicContact CG2-CB 4.08Å; S257-H288 PolarHBondContact OG-O 2.9Å; V267-H288 HydrophobicContact CG1-CB 3.55Å; G273-H288 PolarHBondContact N-CE1 3.11Å; G273-H288 PolarHBondContact N-NE2 3.43Å; I286-H288 PolarHBondContact O-CD2 2.98Å; I286-H288 PolarHBondContact O-NE2 3.05Å; H288-E307 PolarHBondContact CE1-O 3.08Å; H288-E307 PolarHBondContact NE2-N 3.11Å
289	Y	98.4	Very high	97.3	Very high	63 Å²	63	53.2 Å²	53.2	25%	0.247	27%	0.266	C	S	.	.	S	Bend	trans	-93.5	147.9	-179.7	66.4	-91.7	0	0	0	112.9	G253 S257 K269 L287 N292	G253-Y289 WeakPolarHBondContact CA-O 3.18Å; G253-Y289 CarbonylContact O-C 3.53Å; S257-Y289 VanDerWaalsContact OG-CA 3.3Å; S257-Y289 WeakPolarHBondContact OG-CA 3.17Å; K269-Y289 HydrophobicContact CB-CD1 3.83Å; K269-Y289 HydrophobicContact CB-CE1 4.14Å; K269-Y289 HydrophobicContact CB-CG 4.32Å; K269-Y289 HydrophobicContact CD-CD2 4.44Å; K269-Y289 HydrophobicContact CD-CG 4.19Å; K269-Y289 HydrophobicContact CG-CD1 3.88Å; K269-Y289 HydrophobicContact CG-CG 3.89Å; L287-Y289 HydrophobicContact CB-CD1 4.28Å; L287-Y289 HydrophobicContact CB-CE1 3.96Å; L287-Y289 HydrophobicContact CD1-CE1 4.17Å; L287-Y289 HydrophobicContact CD2-CE1 4.28Å; L287-Y289 HydrophobicContact CG-CE1 4.36Å; Y289-N292 HydrophobicContact CD2-CB 3.84Å; Y289-N292 HydrophobicContact CE1-CB 4.25Å; Y289-N292 HydrophobicContact CE2-CB 3.4Å; Y289-N292 VanDerWaalsContact CE2-CB 3.4Å; Y289-N292 HydrophobicContact CG-CB 4.41Å; Y289-N292 WeakPolarHBondContact O-CB 3.44Å; Y289-N292 PolarHBondContact O-ND2 3.03Å
290	S	98	Very high	97.3	Very high	49 Å²	49	53.9 Å²	53.9	34%	0.343	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	151	-178.8	178.9	0	0	0	0	112.7	G253 D254 S257 N292	G253-S290 PolarHBondContact O-N 3.17Å; D254-S290 WeakPolarHBondContact OD1-CA 3.34Å; D254-S290 WeakPolarHBondContact OD1-CB 3.15Å; D254-S290 PolarHBondContact OD1-OG 3.34Å; S257-S290 PolarHBondContact OG-N 3.47Å; S290-N292 PolarHBondContact O-N 3.43Å; S290-N292 VanDerWaalsContact O-N 3.15Å
291	R	96.4	Very high	97.3	Very high	221 Å²	221	53.6 Å²	53.6	83%	0.834	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	21.5	-179.6	-50.7	177.7	-176.1	175.8	0.1	114.3	D254	D254-R291 PolarHBondContact OD1-N 2.9Å
292	N	97.8	Very high	97.4	Very high	8 Å²	8	50.7 Å²	50.7	4%	0.043	26%	0.258	C	S	.	.			trans	-63.6	163.6	170.4	75	77.3	0	0	0	110.7	R250 L287 Y289 S290 A294	R250-N292 VanDerWaalsContact CA-OD1 3.26Å; R250-N292 WeakPolarHBondContact CA-OD1 3.24Å; R250-N292 WeakPolarHBondContact CB-OD1 3.49Å; R250-N292 PolarHBondContact O-ND2 2.79Å; L287-N292 HydrophobicContact CB-CB 3.7Å; L287-N292 HydrophobicContact CD1-CB 3.71Å; L287-N292 HydrophobicContact CG-CB 4.35Å; L287-N292 PolarHBondContact O-ND2 3.25Å; Y289-N292 HydrophobicContact CD2-CB 3.84Å; Y289-N292 HydrophobicContact CE1-CB 4.25Å; Y289-N292 HydrophobicContact CE2-CB 3.4Å; Y289-N292 VanDerWaalsContact CE2-CB 3.4Å; Y289-N292 HydrophobicContact CG-CB 4.41Å; Y289-N292 WeakPolarHBondContact O-CB 3.44Å; Y289-N292 PolarHBondContact O-ND2 3.03Å; S290-N292 PolarHBondContact O-N 3.43Å; S290-N292 VanDerWaalsContact O-N 3.15Å; N292-A294 WeakPolarHBondContact OD1-CB 3.19Å; N292-A294 PolarHBondContact OD1-N 3.11Å
293	K	96.5	Very high	97.5	Very high	185 Å²	185	50.4 Å²	50.4	80%	0.804	26%	0.256	S	S	*	.			trans	-112.4	28	-178	-61.7	-177.4	-178.9	177	0	112.4	V295	K293-V295 PolarHBondContact O-N 2.75Å
294	A	95	Very high	97.5	Very high	12 Å²	12	48.6 Å²	48.6	10%	0.099	24%	0.244	C	C	.	.			trans	-53.9	135.4	177.8	0	0	0	0	0	110.6	R250 L287 N292	R250-A294 HydrophobicContact CB-CB 4.12Å; L287-A294 HydrophobicContact CD1-CB 4.11Å; L287-A294 HydrophobicContact CG-CB 4.18Å; N292-A294 WeakPolarHBondContact OD1-CB 3.19Å; N292-A294 PolarHBondContact OD1-N 3.11Å
295	V	93	Very high	97.6	Very high	109 Å²	109	48.5 Å²	48.5	66%	0.661	24%	0.244	S	C	*	.			trans	-98.8	144.1	-177.7	178.1	0	0	0	0	109.1	K293	K293-V295 PolarHBondContact O-N 2.75Å
296	G	96.2	Very high	97.8	Very high	22 Å²	22	44.1 Å²	44.1	23%	0.227	22%	0.22	C	C	.	.			trans	122.4	157.4	173.8	0	0	0	0	0	112.4	Y249	Y249-G296 PolarHBondContact N-O 3.14Å
297	V	98	Very high	97.8	Very high	58 Å²	58	44.8 Å²	44.8	35%	0.352	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-124.5	132.6	175.9	179.1	0	0	0	0	106.7	G246 K248 H302	G246-V297 VanDerWaalsContact CA-CG1 3.47Å; G246-V297 WeakPolarHBondContact O-CG1 3.19Å; K248-V297 HydrophobicContact CG-CG2 4.2Å; V297-H302 PolarHBondContact O-CE1 3.23Å; V297-H302 VanDerWaalsContact O-CE1 3.22Å
298	M	98.5	Very high	97.8	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.216	C	C	.	.			trans	-59.8	130.9	176.6	-74.8	174.4	-179.8	0	0	110.5	V243 F244 P245 G246 V247 Y249 M252 F304 I343	V243-M298 HydrophobicContact CB-SD 4.32Å; V243-M298 HydrophobicContact CG1-CE 4.3Å; V243-M298 HydrophobicContact CG1-SD 3.78Å; V243-M298 HydrophobicContact CG2-CE 4.16Å; F244-M298 VanDerWaalsContact O-CB 3.29Å; F244-M298 WeakPolarHBondContact O-CB 3.21Å; P245-M298 WeakPolarHBondContact CA-O 3.48Å; G246-M298 PolarHBondContact N-O 2.77Å; V247-M298 HydrophobicContact CB-SD 3.76Å; V247-M298 HydrophobicContact CG1-SD 3.93Å; V247-M298 VanDerWaalsContact O-CB 3.3Å; V247-M298 WeakPolarHBondContact O-CB 3.37Å; V247-M298 WeakPolarHBondContact O-CG 3.31Å; V247-M298 PolarHBondContact O-N 3.35Å; Y249-M298 HydrophobicContact CD1-CE 3.74Å; Y249-M298 HydrophobicContact CD1-CG 4.1Å; Y249-M298 HydrophobicContact CD2-CG 4.46Å; Y249-M298 HydrophobicContact CE1-CE 3.95Å; Y249-M298 HydrophobicContact CE1-CG 3.7Å; Y249-M298 HydrophobicContact CE2-CG 4.05Å; Y249-M298 HydrophobicContact CG-CE 4.48Å; Y249-M298 HydrophobicContact CG-CG 4.47Å; M252-M298 HydrophobicContact CE-CE 3.92Å; M252-M298 HydrophobicContact CG-CE 3.95Å; M252-M298 HydrophobicContact SD-CE 4Å; M298-F304 HydrophobicContact CE-CZ 4.24Å; M298-I343 HydrophobicContact CB-CD1 3.47Å; M298-I343 VanDerWaalsContact CB-CD1 3.47Å; M298-I343 HydrophobicContact CG-CD1 3.87Å
299	K	98.4	Very high	97.8	Very high	116 Å²	116	43.4 Å²	43.4	50%	0.504	22%	0.216	S	C	.	.			trans	-137.8	154.4	178	-60.9	178	-178.3	178.3	0	110.3	G301 H302 I343	K299-G301 PolarHBondContact O-N 3.49Å; K299-H302 PolarHBondContact N-ND1 3.09Å; K299-H302 WeakPolarHBondContact O-CB 3.29Å; K299-H302 VanDerWaalsContact O-CG 3.31Å; K299-H302 PolarHBondContact O-N 3.48Å; K299-H302 VanDerWaalsContact O-N 3.13Å; K299-I343 WeakPolarHBondContact O-CB 3.26Å
300	P	98.4	Very high	97.8	Very high	39 Å²	39	40.4 Å²	40.4	25%	0.253	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	140.3	168.4	-27.4	36.9	0	0	0	112	V110 P245 H302 I343 K345	V110-P300 WeakPolarHBondContact CG1-O 3.38Å; P245-P300 HydrophobicContact CG-CG 4.21Å; P300-H302 VanDerWaalsContact C-N 3.27Å; P300-H302 PolarHBondContact O-N 2.96Å; P300-I343 CarbonylContact C-O 3.56Å; P300-I343 WeakPolarHBondContact CA-O 3.48Å; P300-K345 HydrophobicContact CB-CG 4.27Å
301	G	98.5	Very high	97.9	Very high	4 Å²	4	38.1 Å²	38.1	4%	0.041	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	-7.1	-176.9	0	0	0	0	0	114.9	L111 K299 C303 I343	L111-G301 WeakPolarHBondContact CB-O 3.38Å; L111-G301 WeakPolarHBondContact CG-O 3.19Å; L111-G301 PolarHBondContact N-O 3.47Å; K299-G301 PolarHBondContact O-N 3.49Å; G301-C303 PolarHBondContact O-N 3.49Å; G301-I343 PolarHBondContact N-O 3.34Å
302	H	98.7	Very high	98	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.019	15%	0.152	C	C	.	.			trans	-70	129.7	168.6	-68	-172.4	0	0	0	109.8	I108 V109 Y249 V297 K299 P300 F304 V342 I343	I108-H302 HydrophobicContact CG2-CB 4.38Å; I108-H302 VanDerWaalsContact CG2-CE1 3.49Å; I108-H302 WeakPolarHBondContact CG2-CE1 3.39Å; V109-H302 PolarHBondContact O-CD2 2.87Å; Y249-H302 AromaticContact CZ-ND1 3.88Å; Y249-H302 PolarHBondContact OH-ND1 3.11Å; V297-H302 PolarHBondContact O-CE1 3.23Å; V297-H302 VanDerWaalsContact O-CE1 3.22Å; K299-H302 PolarHBondContact N-ND1 3.09Å; K299-H302 WeakPolarHBondContact O-CB 3.29Å; K299-H302 VanDerWaalsContact O-CG 3.31Å; K299-H302 PolarHBondContact O-N 3.48Å; K299-H302 VanDerWaalsContact O-N 3.13Å; P300-H302 VanDerWaalsContact C-N 3.27Å; P300-H302 PolarHBondContact O-N 2.96Å; H302-F304 HydrophobicContact CB-CD1 4.23Å; H302-F304 HydrophobicContact CB-CE1 4.35Å; H302-V342 WeakPolarHBondContact O-CA 3.49Å; H302-I343 HydrophobicContact CB-CD1 4.43Å; H302-I343 PolarHBondContact O-N 3.5Å
303	C	98.9	Very high	98	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.034	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130	173.1	-162.2	0	0	0	0	110.2	L111 M119 I276 G301 M341 V342	L111-C303 HydrophobicContact CD1-CB 3.62Å; L111-C303 HydrophobicContact CG-CB 4.49Å; M119-C303 HydrophobicContact CE-CB 4.4Å; M119-C303 WeakPolarHBondContact CE-SG 3.47Å; I276-C303 PolarHBondContact N-O 3.41Å; G301-C303 PolarHBondContact O-N 3.49Å; C303-M341 WeakPolarHBondContact CA-O 3.43Å; C303-M341 PolarHBondContact SG-O 3.4Å; C303-M341 VanDerWaalsContact SG-O 3.39Å; C303-V342 HydrophobicContact CB-CB 4.44Å; C303-V342 HydrophobicContact CB-CG2 4.48Å
304	F	98.9	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	167.6	-173.4	57.6	-88.8	0	0	0	112	V243 Y249 H274 P284 I286 M298 H302 I306 M341 I343	V243-F304 HydrophobicContact CG1-CZ 3.79Å; V243-F304 HydrophobicContact CG2-CZ 4.47Å; Y249-F304 AromaticContact CE1-CD1 3.93Å; Y249-F304 HydrophobicContact CE1-CD1 3.93Å; Y249-F304 HydrophobicContact CE1-CD2 4.22Å; Y249-F304 AromaticContact CE1-CE1 3.84Å; Y249-F304 HydrophobicContact CE1-CE1 3.84Å; Y249-F304 HydrophobicContact CE1-CE2 4.15Å; Y249-F304 HydrophobicContact CE1-CG 4.11Å; Y249-F304 AromaticContact CE1-CZ 3.96Å; Y249-F304 HydrophobicContact CE1-CZ 3.96Å; H274-F304 CarbonylContact O-C 3.45Å; H274-F304 WeakPolarHBondContact O-CA 3.25Å; H274-F304 VanDerWaalsContact O-CB 3.25Å; H274-F304 WeakPolarHBondContact O-CB 3.21Å; P284-F304 HydrophobicContact CG-CB 4.43Å; I286-F304 HydrophobicContact CD1-CB 3.85Å; I286-F304 HydrophobicContact CD1-CD2 4.02Å; I286-F304 HydrophobicContact CD1-CG 4.22Å; I286-F304 HydrophobicContact CG1-CD2 4.12Å; M298-F304 HydrophobicContact CE-CZ 4.24Å; H302-F304 HydrophobicContact CB-CD1 4.23Å; H302-F304 HydrophobicContact CB-CE1 4.35Å; F304-I306 HydrophobicContact CD2-CG1 4.17Å; F304-I306 HydrophobicContact CE2-CD1 4.11Å; F304-I306 HydrophobicContact CE2-CG1 3.94Å; F304-M341 HydrophobicContact CD2-CG 4.42Å; F304-M341 HydrophobicContact CE2-CG 4.06Å; F304-M341 HydrophobicContact CE2-SD 4.03Å; F304-M341 HydrophobicContact CZ-CG 4.24Å; F304-M341 HydrophobicContact CZ-SD 4.41Å; F304-M341 PolarHBondContact N-O 3.41Å; F304-M341 PolarHBondContact O-N 3.08Å; F304-I343 HydrophobicContact CE1-CD1 3.73Å; F304-I343 HydrophobicContact CE1-CG1 3.84Å; F304-I343 HydrophobicContact CZ-CD1 4.16Å; F304-I343 HydrophobicContact CZ-CG1 4.27Å
305	T	98.9	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	147.4	174.9	70.7	0	0	0	0	110.9	D211 G273 H274 I276 I286 E307 E338 H339	D211-T305 HydrophobicContact CB-CG2 4.14Å; G273-T305 WeakPolarHBondContact CA-OG1 3.39Å; H274-T305 PolarHBondContact CD2-OG1 3.43Å; H274-T305 PolarHBondContact N-OG1 3.11Å; H274-T305 PolarHBondContact O-N 3.14Å; H274-T305 PolarHBondContact O-OG1 3.33Å; I276-T305 HydrophobicContact CB-CG2 4.41Å; I276-T305 HydrophobicContact CD1-CG2 4.48Å; I276-T305 HydrophobicContact CG2-CG2 3.99Å; I286-T305 WeakPolarHBondContact CD1-O 3.5Å; T305-E307 PolarHBondContact OG1-OE1 3.3Å; T305-E338 WeakPolarHBondContact CB-OE1 3.46Å; T305-E338 WeakPolarHBondContact CG2-OE1 3.35Å; T305-H339 WeakPolarHBondContact CA-O 3.29Å
306	I	98.9	Very high	98.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.6	158	-59	-178.9	0	0	0	106.2	L236 S239 M240 V243 M252 I256 I286 F304 E338 H339 M341	L236-I306 HydrophobicContact CD1-CB 3.92Å; L236-I306 HydrophobicContact CD1-CG2 3.82Å; L236-I306 WeakPolarHBondContact CD1-O 3.44Å; S239-I306 WeakPolarHBondContact OG-CG2 3.23Å; M240-I306 HydrophobicContact CG-CD1 4.28Å; V243-I306 HydrophobicContact CG2-CD1 3.76Å; M252-I306 HydrophobicContact CG-CD1 4.32Å; M252-I306 HydrophobicContact SD-CD1 3.8Å; I256-I306 HydrophobicContact CD1-CG2 4.22Å; I286-I306 HydrophobicContact CG2-CG1 4.37Å; F304-I306 HydrophobicContact CD2-CG1 4.17Å; F304-I306 HydrophobicContact CE2-CD1 4.11Å; F304-I306 HydrophobicContact CE2-CG1 3.94Å; I306-E338 WeakPolarHBondContact O-CA 3.25Å; I306-H339 PolarHBondContact N-O 3.07Å; I306-H339 PolarHBondContact O-N 2.81Å; I306-M341 HydrophobicContact CB-CE 3.94Å; I306-M341 HydrophobicContact CD1-CE 3.97Å; I306-M341 HydrophobicContact CD1-SD 4.04Å; I306-M341 HydrophobicContact CG1-CE 3.77Å; I306-M341 HydrophobicContact CG1-SD 4.3Å
307	E	98.8	Very high	98.6	Very high	14 Å²	14	28.6 Å²	28.6	7%	0.065	14%	0.14	C	C	.	.			trans	-144.5	58.9	-165.7	57.8	176.3	116.4	0	0	112.7	G273 H274 H288 T305 M309 Q336 F337 E338	G273-E307 VanDerWaalsContact CA-OE1 3.28Å; G273-E307 WeakPolarHBondContact CA-OE1 3.15Å; H274-E307 IonicContact CD2-OE1 2.7Å; H274-E307 PolarHBondContact CD2-OE1 3.34Å; H274-E307 IonicContact NE2-OE1 3.23Å; H288-E307 PolarHBondContact CE1-O 3.08Å; H288-E307 PolarHBondContact NE2-N 3.11Å; T305-E307 PolarHBondContact OG1-OE1 3.3Å; E307-M309 WeakPolarHBondContact O-CE 3.37Å; E307-M309 PolarHBondContact O-N 3.35Å; E307-M309 VanDerWaalsContact O-N 3.12Å; E307-Q336 PolarHBondContact OE2-NE2 2.99Å; E307-Q336 VanDerWaalsContact OE2-NE2 3.09Å; E307-F337 VanDerWaalsContact CA-O 3.29Å; E307-F337 WeakPolarHBondContact CA-O 3.4Å; E307-E338 HydrophobicContact CB-CB 3.64Å; E307-E338 HydrophobicContact CB-CG 3.72Å
308	P	98.8	Very high	98.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.141	C	C	.	.			trans	-61.9	119.3	-174.4	25.7	-36	0	0	0	112.5	C235 L236 I256 I310 Q336 F337	C235-P308 HydrophobicContact CB-CB 4.16Å; C235-P308 HydrophobicContact CB-CG 4.07Å; L236-P308 HydrophobicContact CB-CG 3.91Å; I256-P308 HydrophobicContact CD1-CB 4.21Å; I256-P308 HydrophobicContact CG1-CB 4.5Å; I256-P308 HydrophobicContact CG2-CB 3.87Å; P308-I310 HydrophobicContact CB-CD1 4.12Å; P308-I310 HydrophobicContact CB-CG1 4.47Å; P308-Q336 WeakPolarHBondContact O-CA 3.17Å; P308-F337 WeakPolarHBondContact CD-O 3.34Å
309	M	98.9	Very high	98.6	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	113.7	166.7	-72.9	149.8	-88.7	0	0	110.2	I181 C182 V268 Y271 E307 Q336	I181-M309 HydrophobicContact CG2-CB 3.83Å; I181-M309 HydrophobicContact CG2-CG 3.68Å; I181-M309 HydrophobicContact CG2-SD 3.56Å; I181-M309 VanDerWaalsContact CG2-SD 3.56Å; C182-M309 HydrophobicContact CB-SD 3.99Å; V268-M309 HydrophobicContact CB-CB 3.9Å; V268-M309 HydrophobicContact CG2-CB 3.8Å; V268-M309 PolarHBondContact N-O 3.42Å; V268-M309 VanDerWaalsContact N-O 3.12Å; Y271-M309 VanDerWaalsContact CB-CE 3.41Å; Y271-M309 VanDerWaalsContact CB-SD 3.58Å; Y271-M309 HydrophobicContact CD2-SD 4.16Å; Y271-M309 HydrophobicContact CG-SD 4.14Å; E307-M309 WeakPolarHBondContact O-CE 3.37Å; E307-M309 PolarHBondContact O-N 3.35Å; E307-M309 VanDerWaalsContact O-N 3.12Å; M309-Q336 HydrophobicContact CG-CB 4.04Å; M309-Q336 HydrophobicContact CG-CG 3.82Å
310	I	98.9	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.3	-176.6	-54.5	-51.8	0	0	0	109.7	L228 A232 C235 I256 A260 F265 S266 V267 P308 S334 A335	L228-I310 HydrophobicContact CD1-CB 4.49Å; L228-I310 HydrophobicContact CD1-CG2 3.97Å; L228-I310 WeakPolarHBondContact CD1-O 3.28Å; A232-I310 HydrophobicContact CB-CB 4.08Å; A232-I310 HydrophobicContact CB-CG1 3.92Å; C235-I310 HydrophobicContact CB-CD1 4.25Å; C235-I310 HydrophobicContact CB-CG1 4.37Å; I256-I310 HydrophobicContact CG2-CD1 4.11Å; A260-I310 HydrophobicContact CB-CD1 4.02Å; A260-I310 HydrophobicContact CB-CG2 4.42Å; F265-I310 HydrophobicContact CB-CG2 3.49Å; F265-I310 VanDerWaalsContact CB-CG2 3.49Å; F265-I310 HydrophobicContact CD2-CG2 4.44Å; F265-I310 HydrophobicContact CG-CG2 4.08Å; S266-I310 CarbonylContact O-C 3.5Å; S266-I310 WeakPolarHBondContact O-CA 3.43Å; V267-I310 HydrophobicContact CB-CD1 4.45Å; V267-I310 HydrophobicContact CG1-CD1 4.38Å; V267-I310 HydrophobicContact CG2-CD1 3.86Å; P308-I310 HydrophobicContact CB-CD1 4.12Å; P308-I310 HydrophobicContact CB-CG1 4.47Å; I310-S334 CarbonylContact O-C 3.56Å; I310-S334 WeakPolarHBondContact O-CA 3.44Å; I310-S334 PolarHBondContact O-OG 3.36Å; I310-A335 PolarHBondContact N-O 3.09Å; I310-A335 PolarHBondContact O-N 3.5Å
311	N	98.9	Very high	98.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	143.6	178.6	-68.8	-3.5	0	0	0	111.1	F265 S266 V268 G313 D314 T328 S334	F265-N311 WeakPolarHBondContact CB-O 3.41Å; S266-N311 PolarHBondContact N-O 3.05Å; S266-N311 PolarHBondContact O-N 2.88Å; V268-N311 WeakPolarHBondContact CG2-ND2 3.32Å; V268-N311 WeakPolarHBondContact CG2-OD1 3.49Å; N311-G313 PolarHBondContact O-N 3.37Å; N311-D314 WeakPolarHBondContact CB-O 3.34Å; N311-D314 PolarHBondContact ND2-O 3.32Å; N311-T328 HydrophobicContact CB-CG2 4.27Å; N311-S334 WeakPolarHBondContact OD1-CB 3.1Å; N311-S334 PolarHBondContact OD1-OG 2.9Å; N311-S334 VanDerWaalsContact OD1-OG 3.13Å
312	Q	98.6	Very high	98.4	Very high	17 Å²	17	28.4 Å²	28.4	8%	0.079	14%	0.137	C	C	.	.	S	Bend	trans	-65.3	-27	175	-174	177.5	-68.2	0	0	113.3	R224 L228 F265 L332 R333	R224-Q312 HydrophobicContact CG-CG 4.26Å; R224-Q312 VanDerWaalsContact NE-CG 3.33Å; R224-Q312 VanDerWaalsContact NE-NE2 3.12Å; L228-Q312 HydrophobicContact CD1-CB 4.45Å; L228-Q312 HydrophobicContact CD2-CB 4.19Å; F265-Q312 HydrophobicContact CE1-CG 4.38Å; Q312-L332 HydrophobicContact CB-CB 4.04Å; Q312-L332 HydrophobicContact CG-CB 4.48Å; Q312-R333 HydrophobicContact CB-CB 4.44Å; Q312-R333 WeakPolarHBondContact CB-O 3.5Å; Q312-R333 PolarHBondContact N-O 3.41Å
313	G	97.8	Very high	98.3	Very high	25 Å²	25	33.7 Å²	33.7	26%	0.258	17%	0.165	S	C	.	.	S	Bend	trans	-126.5	-120.8	-177.6	0	0	0	0	0	112.5	S266 N311 D330	S266-G313 WeakPolarHBondContact CB-O 3.45Å; S266-G313 PolarHBondContact OG-O 3.4Å; N311-G313 PolarHBondContact O-N 3.37Å; G313-D330 VanDerWaalsContact CA-OD2 3.3Å; G313-D330 WeakPolarHBondContact CA-OD2 3.31Å
314	D	97.1	Very high	98.2	Very high	47 Å²	47	35.7 Å²	35.7	25%	0.251	17%	0.172	S	C	.	.			trans	-73.5	154.3	-178.6	-167.1	95.2	0	0	0	112.1	S266 N311 R316 D330	S266-D314 PolarHBondContact OG-O 3.26Å; N311-D314 WeakPolarHBondContact CB-O 3.34Å; N311-D314 PolarHBondContact ND2-O 3.32Å; D314-R316 VanDerWaalsContact C-N 3.32Å; D314-R316 IonicContact OD1-CZ 2.67Å; D314-R316 IonicContact OD1-NE 2.76Å; D314-R316 PolarHBondContact OD1-NE 3.07Å; D314-R316 IonicContact OD1-NH2 3.61Å; D314-R316 PolarHBondContact OD1-NH2 2.96Å; D314-R316 WeakPolarHBondContact OD2-CB 3.46Å; D314-R316 VanDerWaalsContact OD2-CG 3.24Å; D314-R316 WeakPolarHBondContact OD2-CG 3.38Å; D314-R316 IonicContact OD2-CZ 3.28Å; D314-R316 PolarHBondContact OD2-N 2.95Å; D314-R316 IonicContact OD2-NE 2.69Å; D314-R316 PolarHBondContact OD2-NE 2.8Å; D314-R316 IonicContact OD2-NH2 3.81Å; D314-D330 PolarHBondContact N-OD2 3.5Å
315	W	98.5	Very high	98.2	Very high	94 Å²	94	35.9 Å²	35.9	36%	0.356	17%	0.173	S	C	.	.	S	Bend	trans	-79.7	-15.7	-176.6	61	-89.9	0	0	0	113.3	S266 V267 K269	S266-W315 WeakPolarHBondContact OG-CA 3.21Å; S266-W315 PolarHBondContact OG-N 3.26Å; S266-W315 VanDerWaalsContact OG-N 3.13Å; V267-W315 VanDerWaalsContact O-CB 3.23Å; V267-W315 WeakPolarHBondContact O-CB 3.25Å; K269-W315 HydrophobicContact CB-CE3 3.87Å; K269-W315 HydrophobicContact CB-CZ3 4.04Å; K269-W315 HydrophobicContact CD-CD2 3.78Å; K269-W315 HydrophobicContact CD-CE3 3.56Å; K269-W315 HydrophobicContact CD-CG 4.39Å; K269-W315 HydrophobicContact CD-CH2 4.32Å; K269-W315 HydrophobicContact CD-CZ3 3.86Å; K269-W315 HydrophobicContact CG-CD2 4.11Å; K269-W315 HydrophobicContact CG-CE3 3.62Å; K269-W315 HydrophobicContact CG-CZ3 4.17Å
316	R	98.8	Very high	98.2	Very high	138 Å²	138	35.9 Å²	35.9	52%	0.521	17%	0.173	S	C	.	.			trans	-69.3	144.2	-176.8	-75.4	170.5	-91	178	-5.5	111.1	D314 A329	D314-R316 VanDerWaalsContact C-N 3.32Å; D314-R316 IonicContact OD1-CZ 2.67Å; D314-R316 IonicContact OD1-NE 2.76Å; D314-R316 PolarHBondContact OD1-NE 3.07Å; D314-R316 IonicContact OD1-NH2 3.61Å; D314-R316 PolarHBondContact OD1-NH2 2.96Å; D314-R316 WeakPolarHBondContact OD2-CB 3.46Å; D314-R316 VanDerWaalsContact OD2-CG 3.24Å; D314-R316 WeakPolarHBondContact OD2-CG 3.38Å; D314-R316 IonicContact OD2-CZ 3.28Å; D314-R316 PolarHBondContact OD2-N 2.95Å; D314-R316 IonicContact OD2-NE 2.69Å; D314-R316 PolarHBondContact OD2-NE 2.8Å; D314-R316 IonicContact OD2-NH2 3.81Å; R316-A329 HydrophobicContact CB-CB 3.74Å; R316-A329 WeakPolarHBondContact O-CB 3.3Å; R316-A329 PolarHBondContact O-N 3.08Å
317	D	98.7	Very high	98.2	Very high	37 Å²	37	35.9 Å²	35.9	20%	0.198	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	158.6	176.6	57.4	-79.2	0	0	0	111.6	I181 T270 V327	I181-D317 HydrophobicContact CD1-CB 3.52Å; T270-D317 VanDerWaalsContact CB-OD1 3.3Å; T270-D317 WeakPolarHBondContact CB-OD1 3.39Å; T270-D317 PolarHBondContact OG1-OD1 3.14Å; T270-D317 PolarHBondContact OG1-OD2 2.76Å; D317-V327 CarbonylContact C-O 3.56Å; D317-V327 WeakPolarHBondContact CA-O 3.46Å
318	E	98.5	Very high	98.2	Very high	80 Å²	80	35.2 Å²	35.2	37%	0.374	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	149.6	165.4	-68.1	-169.8	-164.7	0	0	109.4	T67 V327 A329	T67-E318 HydrophobicContact CG2-CB 4.47Å; T67-E318 VanDerWaalsContact CG2-CD 3.49Å; T67-E318 HydrophobicContact CG2-CG 4.21Å; E318-V327 HydrophobicContact CB-CG2 4.14Å; E318-V327 PolarHBondContact N-O 2.79Å; E318-V327 WeakPolarHBondContact O-CG2 3.43Å; E318-V327 PolarHBondContact O-N 3.32Å; E318-A329 HydrophobicContact CG-CB 4.3Å
319	L	98.5	Very high	98.2	Very high	82 Å²	82	36.8 Å²	36.8	43%	0.429	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.1	175.8	-170.3	68.3	0	0	0	109.8	W324	L319-W324 WeakPolarHBondContact CD1-O 3.4Å
320	W	98.2	Very high	98.2	Very high	15 Å²	15	39.4 Å²	39.4	6%	0.057	20%	0.198	C	C	.	.			trans	-67.1	156.1	173.3	-79.7	9.7	0	0	0	112.2	F61 Y64 F66 L70 P72 D322 N323 T325 V327	F61-W320 HydrophobicContact CE1-CB 3.86Å; F61-W320 AromaticContact CE1-CD2 3.82Å; F61-W320 HydrophobicContact CE1-CD2 3.82Å; F61-W320 AromaticContact CE1-CE3 3.73Å; F61-W320 HydrophobicContact CE1-CE3 3.73Å; F61-W320 AromaticContact CE1-CG 3.92Å; F61-W320 HydrophobicContact CE1-CG 3.92Å; F61-W320 HydrophobicContact CZ-CB 4Å; F61-W320 HydrophobicContact CZ-CD2 4.28Å; F61-W320 AromaticContact CZ-CE3 3.83Å; F61-W320 HydrophobicContact CZ-CE3 3.83Å; F61-W320 HydrophobicContact CZ-CG 4.4Å; Y64-W320 AromaticContact CE1-CD1 3.65Å; Y64-W320 HydrophobicContact CE1-CG 4.28Å; Y64-W320 AromaticContact CE1-NE1 3.9Å; Y64-W320 AromaticContact CZ-CD1 3.81Å; F66-W320 AromaticContact CD1-CE2 3.92Å; F66-W320 AromaticContact CD1-CZ2 3.84Å; F66-W320 HydrophobicContact CD1-CZ2 3.84Å; F66-W320 HydrophobicContact CE1-CD2 4.41Å; F66-W320 HydrophobicContact CE1-CH2 4.35Å; F66-W320 AromaticContact CE1-CZ2 3.99Å; F66-W320 HydrophobicContact CE1-CZ2 3.99Å; L70-W320 HydrophobicContact CB-CH2 4.04Å; L70-W320 HydrophobicContact CB-CZ2 4.24Å; P72-W320 HydrophobicContact CB-CZ3 4.23Å; W320-D322 PolarHBondContact O-N 3.11Å; W320-N323 PolarHBondContact O-N 3.27Å; W320-T325 HydrophobicContact CD2-CG2 3.78Å; W320-T325 HydrophobicContact CE3-CG2 3.57Å; W320-T325 HydrophobicContact CG-CG2 4.26Å; W320-T325 HydrophobicContact CZ3-CG2 3.97Å; W320-T325 PolarHBondContact N-O 3.09Å; W320-V327 HydrophobicContact CD2-CG1 4.28Å; W320-V327 HydrophobicContact CG-CG1 4.43Å; W320-V327 HydrophobicContact CZ2-CG1 3.96Å; W320-V327 VanDerWaalsContact NE1-CG1 3.28Å
321	P	97.3	Very high	98.2	Very high	28 Å²	28	40.2 Å²	40.2	18%	0.182	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-10.5	176	-27.6	34.2	0	0	0	116.4	R60 F61 Y64 N323	R60-P321 HydrophobicContact CB-CB 3.77Å; R60-P321 WeakPolarHBondContact CD-O 3.48Å; R60-P321 VanDerWaalsContact O-CB 3.23Å; R60-P321 WeakPolarHBondContact O-CB 3.31Å; R60-P321 WeakPolarHBondContact O-CG 3.14Å; F61-P321 HydrophobicContact CD1-CB 4.48Å; F61-P321 HydrophobicContact CD1-CG 4Å; F61-P321 HydrophobicContact CD2-CB 4.46Å; F61-P321 HydrophobicContact CE1-CG 4.22Å; F61-P321 HydrophobicContact CE2-CB 4.49Å; F61-P321 HydrophobicContact CG-CB 4.47Å; F61-P321 HydrophobicContact CG-CG 4.34Å; Y64-P321 HydrophobicContact CD1-CG 4.27Å; Y64-P321 HydrophobicContact CD2-CG 3.64Å; Y64-P321 HydrophobicContact CE2-CG 4.2Å; Y64-P321 HydrophobicContact CG-CG 3.69Å; P321-N323 PolarHBondContact O-N 3.21Å
322	D	96.3	Very high	98.2	Very high	9 Å²	9	42.9 Å²	42.9	5%	0.048	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.7	172.3	63.6	19.6	0	0	0	113.9	R60 F61 I185 W320 W324 T325	R60-D322 PolarHBondContact NH1-O 2.88Å; F61-D322 HydrophobicContact CE2-CB 4.12Å; F61-D322 HydrophobicContact CZ-CB 4.06Å; I185-D322 HydrophobicContact CD1-CB 4.02Å; W320-D322 PolarHBondContact O-N 3.11Å; D322-W324 VanDerWaalsContact C-N 3.27Å; D322-W324 PolarHBondContact OD1-N 2.8Å; D322-T325 PolarHBondContact OD1-N 3.26Å; D322-T325 WeakPolarHBondContact OD2-CB 3.35Å; D322-T325 PolarHBondContact OD2-OG1 2.98Å
323	N	95.7	Very high	98.2	Very high	114 Å²	114	44.2 Å²	44.2	61%	0.61	22%	0.224	S	C	*	.	S	Bend	trans	68.9	13.3	-177	-53.3	-60	0	0	0	115.3	W320 P321	W320-N323 PolarHBondContact O-N 3.27Å; P321-N323 PolarHBondContact O-N 3.21Å
324	W	98.3	Very high	98.2	Very high	47 Å²	47	43.3 Å²	43.3	18%	0.178	21%	0.214	C	C	.	.	S	Bend	trans	-129.3	-52.9	-178.7	-77.9	103.3	0	0	0	112.6	Y166 F167 F169 H183 I185 L319 D322 A326	Y166-W324 HydrophobicContact CD1-CH2 4.05Å; Y166-W324 WeakPolarHBondContact O-CH2 3.19Å; Y166-W324 WeakPolarHBondContact O-CZ2 3.4Å; F167-W324 HydrophobicContact CB-CH2 3.85Å; F167-W324 HydrophobicContact CB-CZ2 3.57Å; F169-W324 HydrophobicContact CB-CD2 4.24Å; F169-W324 HydrophobicContact CB-CH2 4Å; F169-W324 HydrophobicContact CB-CZ2 3.59Å; F169-W324 HydrophobicContact CB-CZ3 4.49Å; F169-W324 HydrophobicContact CD2-CB 4.22Å; F169-W324 AromaticContact CD2-CD2 3.52Å; F169-W324 HydrophobicContact CD2-CD2 3.52Å; F169-W324 AromaticContact CD2-CE2 3.87Å; F169-W324 AromaticContact CD2-CE3 3.81Å; F169-W324 HydrophobicContact CD2-CE3 3.81Å; F169-W324 AromaticContact CD2-CG 3.69Å; F169-W324 HydrophobicContact CD2-CG 3.69Å; F169-W324 HydrophobicContact CD2-CZ2 4.44Å; F169-W324 HydrophobicContact CD2-CZ3 4.36Å; F169-W324 HydrophobicContact CE2-CB 4.37Å; F169-W324 HydrophobicContact CE2-CD2 4.39Å; F169-W324 HydrophobicContact CE2-CG 4.33Å; F169-W324 HydrophobicContact CG-CD2 4.35Å; H183-W324 HydrophobicContact CB-CE3 4.22Å; H183-W324 VanDerWaalsContact CB-O 3.28Å; H183-W324 WeakPolarHBondContact CB-O 3.34Å; I185-W324 HydrophobicContact CD1-CB 4.04Å; I185-W324 HydrophobicContact CD1-CG 4.43Å; I185-W324 HydrophobicContact CG1-CB 4.11Å; L319-W324 WeakPolarHBondContact CD1-O 3.4Å; D322-W324 VanDerWaalsContact C-N 3.27Å; D322-W324 PolarHBondContact OD1-N 2.8Å; W324-A326 PolarHBondContact O-N 2.97Å
325	T	98.8	Very high	98.3	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.025	20%	0.202	C	C	.	.			trans	-67.9	107.2	-169.1	-55.6	0	0	0	0	109.9	V180 W320 D322 V327	V180-T325 HydrophobicContact CB-CG2 4.42Å; V180-T325 HydrophobicContact CG1-CG2 3.69Å; V180-T325 HydrophobicContact CG2-CG2 3.82Å; W320-T325 HydrophobicContact CD2-CG2 3.78Å; W320-T325 HydrophobicContact CE3-CG2 3.57Å; W320-T325 HydrophobicContact CG-CG2 4.26Å; W320-T325 HydrophobicContact CZ3-CG2 3.97Å; W320-T325 PolarHBondContact N-O 3.09Å; D322-T325 PolarHBondContact OD1-N 3.26Å; D322-T325 WeakPolarHBondContact OD2-CB 3.35Å; D322-T325 PolarHBondContact OD2-OG1 2.98Å; T325-V327 HydrophobicContact CG2-CG1 4.07Å
326	A	98.8	Very high	98.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.7	176.5	0	0	0	0	0	109.2	V180 I181 C182 Y271 W324	V180-A326 CarbonylContact C-O 3.58Å; V180-A326 WeakPolarHBondContact CA-O 3.38Å; V180-A326 WeakPolarHBondContact CG1-O 3.36Å; I181-A326 HydrophobicContact CB-CB 4.41Å; I181-A326 PolarHBondContact N-O 2.94Å; C182-A326 PolarHBondContact O-N 2.95Å; Y271-A326 HydrophobicContact CE2-CB 3.6Å; Y271-A326 WeakPolarHBondContact OH-CB 3.41Å; W324-A326 PolarHBondContact O-N 2.97Å
327	V	98.9	Very high	98.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	157.4	-178.7	-61.3	0	0	0	0	111.5	E179 V180 D317 E318 W320 T325	E179-V327 CarbonylContact O-C 3.46Å; E179-V327 VanDerWaalsContact O-CA 3.28Å; E179-V327 WeakPolarHBondContact O-CA 3.25Å; V180-V327 HydrophobicContact CG2-CG1 4.07Å; D317-V327 CarbonylContact C-O 3.56Å; D317-V327 WeakPolarHBondContact CA-O 3.46Å; E318-V327 HydrophobicContact CB-CG2 4.14Å; E318-V327 PolarHBondContact N-O 2.79Å; E318-V327 WeakPolarHBondContact O-CG2 3.43Å; E318-V327 PolarHBondContact O-N 3.32Å; W320-V327 HydrophobicContact CD2-CG1 4.28Å; W320-V327 HydrophobicContact CG-CG1 4.43Å; W320-V327 HydrophobicContact CZ2-CG1 3.96Å; W320-V327 VanDerWaalsContact NE1-CG1 3.28Å; T325-V327 HydrophobicContact CG2-CG1 4.07Å
328	T	98.9	Very high	98.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	140	170.8	62.6	0	0	0	0	110.8	T67 E179 I181 N311 D330 G331 L332	T67-T328 VanDerWaalsContact CB-O 3.28Å; T67-T328 WeakPolarHBondContact CB-O 3.36Å; T67-T328 PolarHBondContact OG1-O 2.9Å; E179-T328 PolarHBondContact O-N 3.38Å; I181-T328 HydrophobicContact CD1-CG2 4Å; I181-T328 HydrophobicContact CG1-CG2 3.72Å; N311-T328 HydrophobicContact CB-CG2 4.27Å; T328-D330 PolarHBondContact O-N 3.38Å; T328-D330 PolarHBondContact OG1-OD1 3.35Å; T328-G331 PolarHBondContact O-N 2.89Å; T328-G331 WeakPolarHBondContact OG1-CA 3.36Å; T328-G331 PolarHBondContact OG1-N 3.41Å; T328-L332 WeakPolarHBondContact CB-O 3.32Å; T328-L332 WeakPolarHBondContact CG2-O 3.22Å; T328-L332 PolarHBondContact OG1-N 2.93Å; T328-L332 VanDerWaalsContact OG1-N 3.15Å; T328-L332 PolarHBondContact OG1-O 2.99Å
329	A	98.6	Very high	98.4	Very high	33 Å²	33	25.3 Å²	25.3	27%	0.273	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.4	179.5	0	0	0	0	0	113	R316 E318	R316-A329 HydrophobicContact CB-CB 3.74Å; R316-A329 WeakPolarHBondContact O-CB 3.3Å; R316-A329 PolarHBondContact O-N 3.08Å; E318-A329 HydrophobicContact CG-CB 4.3Å
330	D	98.4	Very high	98.4	Very high	58 Å²	58	21.4 Å²	21.4	31%	0.31	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	0.9	178.6	64.8	9	0	0	0	113.9	G313 D314 T328 L332	G313-D330 VanDerWaalsContact CA-OD2 3.3Å; G313-D330 WeakPolarHBondContact CA-OD2 3.31Å; D314-D330 PolarHBondContact N-OD2 3.5Å; T328-D330 PolarHBondContact O-N 3.38Å; T328-D330 PolarHBondContact OG1-OD1 3.35Å; D330-L332 HydrophobicContact CB-CG 4.49Å; D330-L332 PolarHBondContact O-N 3.39Å; D330-L332 WeakPolarHBondContact OD1-CB 3.33Å; D330-L332 PolarHBondContact OD1-N 3.11Å
331	G	98.2	Very high	98.4	Very high	16 Å²	16	20.7 Å²	20.7	17%	0.165	11%	0.113	C	C	.	.			trans	68.2	11.5	-179.7	0	0	0	0	0	114.3	T328	T328-G331 PolarHBondContact O-N 2.89Å; T328-G331 WeakPolarHBondContact OG1-CA 3.36Å; T328-G331 PolarHBondContact OG1-N 3.41Å
332	L	98.7	Very high	98.5	Very high	57 Å²	57	19.3 Å²	19.3	30%	0.298	11%	0.105	S	C	.	.			trans	-85.5	165.2	173.2	-58.5	-177.1	0	0	0	111.2	E179 Q312 T328 D330	E179-L332 VanDerWaalsContact CA-O 3.31Å; E179-L332 WeakPolarHBondContact CA-O 3.5Å; E179-L332 WeakPolarHBondContact CB-O 3.45Å; Q312-L332 HydrophobicContact CB-CB 4.04Å; Q312-L332 HydrophobicContact CG-CB 4.48Å; T328-L332 WeakPolarHBondContact CB-O 3.32Å; T328-L332 WeakPolarHBondContact CG2-O 3.22Å; T328-L332 PolarHBondContact OG1-N 2.93Å; T328-L332 VanDerWaalsContact OG1-N 3.15Å; T328-L332 PolarHBondContact OG1-O 2.99Å; D330-L332 HydrophobicContact CB-CG 4.49Å; D330-L332 PolarHBondContact O-N 3.39Å; D330-L332 WeakPolarHBondContact OD1-CB 3.33Å; D330-L332 PolarHBondContact OD1-N 3.11Å
333	R	98.8	Very high	98.6	Very high	45 Å²	45	18.9 Å²	18.9	17%	0.17	10%	0.102	C	C	.	.			trans	-68.4	151.7	-172.4	-64.5	-178.9	176.1	-152.2	-10.6	113.3	N178 G194 I196 D222 S225 L228 Q312	N178-R333 HydrophobicContact CB-CG 4.23Å; N178-R333 CarbonylContact O-C 3.53Å; N178-R333 VanDerWaalsContact O-CA 3.26Å; N178-R333 WeakPolarHBondContact O-CA 3.37Å; N178-R333 PolarHBondContact OD1-NH2 3.02Å; G194-R333 VanDerWaalsContact O-CZ 3.23Å; G194-R333 PolarHBondContact O-NH1 3.23Å; G194-R333 PolarHBondContact O-NH2 2.87Å; I196-R333 HydrophobicContact CD1-CB 3.98Å; I196-R333 HydrophobicContact CD1-CG 4.47Å; D222-R333 IonicContact OD2-NH1 2.64Å; S225-R333 PolarHBondContact OG-NH1 2.81Å; L228-R333 HydrophobicContact CD2-CB 3.73Å; Q312-R333 HydrophobicContact CB-CB 4.44Å; Q312-R333 WeakPolarHBondContact CB-O 3.5Å; Q312-R333 PolarHBondContact N-O 3.41Å
334	S	98.9	Very high	98.7	Very high	6 Å²	6	13.7 Å²	13.7	4%	0.042	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	153.3	168.2	-175.9	0	0	0	0	110.6	N178 I196 I310 N311	N178-S334 PolarHBondContact O-N 3.33Å; I196-S334 VanDerWaalsContact CD1-O 3.25Å; I196-S334 WeakPolarHBondContact CD1-O 3.38Å; I310-S334 CarbonylContact O-C 3.56Å; I310-S334 WeakPolarHBondContact O-CA 3.44Å; I310-S334 PolarHBondContact O-OG 3.36Å; N311-S334 WeakPolarHBondContact OD1-CB 3.1Å; N311-S334 PolarHBondContact OD1-OG 2.9Å; N311-S334 VanDerWaalsContact OD1-OG 3.13Å
335	A	98.9	Very high	98.5	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.008	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144	170.8	0	0	0	0	0	110.3	T215 L228 V229 A232 I310	T215-A335 HydrophobicContact CG2-CB 4.03Å; L228-A335 HydrophobicContact CD2-CB 4.22Å; L228-A335 HydrophobicContact CG-CB 3.91Å; V229-A335 HydrophobicContact CG2-CB 4.18Å; A232-A335 HydrophobicContact CB-CB 3.78Å; I310-A335 PolarHBondContact N-O 3.09Å; I310-A335 PolarHBondContact O-N 3.5Å
336	Q	98.9	Very high	98.2	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146	179.8	-175.5	-179	8.6	0	0	110.1	N198 N213 T215 E307 P308 M309	N198-Q336 PolarHBondContact ND2-O 2.91Å; N213-Q336 PolarHBondContact ND2-NE2 2.81Å; T215-Q336 PolarHBondContact N-O 3.29Å; T215-Q336 PolarHBondContact OG1-N 3.29Å; T215-Q336 PolarHBondContact OG1-O 3.43Å; E307-Q336 PolarHBondContact OE2-NE2 2.99Å; E307-Q336 VanDerWaalsContact OE2-NE2 3.09Å; P308-Q336 WeakPolarHBondContact O-CA 3.17Å; M309-Q336 HydrophobicContact CG-CB 4.04Å; M309-Q336 HydrophobicContact CG-CG 3.82Å
337	F	98.9	Very high	97.8	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.018	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	144.2	167.7	-76.5	-93.7	0	0	0	107.8	N213 E214 T215 V229 A232 Y233 L236 E307 P308 P389 F391	N213-F337 WeakPolarHBondContact OD1-CA 3.42Å; N213-F337 PolarHBondContact OD1-N 3.11Å; E214-F337 HydrophobicContact CB-CD1 4.13Å; E214-F337 HydrophobicContact CB-CE1 3.93Å; E214-F337 HydrophobicContact CG-CD1 3.86Å; E214-F337 HydrophobicContact CG-CE1 3.95Å; T215-F337 WeakPolarHBondContact O-CZ 3.42Å; V229-F337 HydrophobicContact CG1-CE2 3.8Å; V229-F337 HydrophobicContact CG1-CZ 3.74Å; V229-F337 WeakPolarHBondContact O-CE2 3.19Å; A232-F337 HydrophobicContact CB-CD2 3.89Å; A232-F337 HydrophobicContact CB-CE2 4.22Å; Y233-F337 HydrophobicContact CD2-CD1 4.2Å; Y233-F337 HydrophobicContact CD2-CE1 4.41Å; Y233-F337 HydrophobicContact CD2-CG 4.47Å; L236-F337 HydrophobicContact CB-CB 4.29Å; L236-F337 HydrophobicContact CD2-CB 3.5Å; E307-F337 VanDerWaalsContact CA-O 3.29Å; E307-F337 WeakPolarHBondContact CA-O 3.4Å; P308-F337 WeakPolarHBondContact CD-O 3.34Å; F337-P389 HydrophobicContact CE1-CB 4.11Å; F337-F391 AromaticContact CE1-CD1 3.86Å; F337-F391 HydrophobicContact CE1-CD1 3.86Å; F337-F391 HydrophobicContact CE1-CE1 4.17Å; F337-F391 AromaticContact CZ-CD1 3.48Å; F337-F391 HydrophobicContact CZ-CD1 3.48Å; F337-F391 VanDerWaalsContact CZ-CD1 3.48Å; F337-F391 AromaticContact CZ-CE1 3.79Å; F337-F391 HydrophobicContact CZ-CE1 3.79Å; F337-F391 HydrophobicContact CZ-CG 4.41Å
338	E	98.9	Very high	97.4	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145.9	-177.4	172.6	170.7	-157	0	0	112.4	V212 N213 T305 I306 E307	V212-E338 WeakPolarHBondContact CG2-O 3.46Å; N213-E338 HydrophobicContact CB-CB 4.18Å; N213-E338 VanDerWaalsContact ND2-CB 3.35Å; N213-E338 WeakPolarHBondContact ND2-CB 3.39Å; N213-E338 PolarHBondContact ND2-OE2 3.06Å; N213-E338 PolarHBondContact O-N 3.16Å; N213-E338 WeakPolarHBondContact OD1-CB 3.19Å; N213-E338 PolarHBondContact OD1-N 2.94Å; T305-E338 WeakPolarHBondContact CB-OE1 3.46Å; T305-E338 WeakPolarHBondContact CG2-OE1 3.35Å; I306-E338 WeakPolarHBondContact O-CA 3.25Å; E307-E338 HydrophobicContact CB-CB 3.64Å; E307-E338 HydrophobicContact CB-CG 3.72Å
339	H	98.9	Very high	97	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.046	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.1	163.3	-83.3	-61.4	0	0	0	111.6	R127 M240 T305 I306 M341 V358 T360 Y386	R127-H339 PolarHBondContact NH2-CE1 3.41Å; R127-H339 VanDerWaalsContact NH2-CE1 3.32Å; M240-H339 HydrophobicContact SD-CB 4.19Å; T305-H339 WeakPolarHBondContact CA-O 3.29Å; I306-H339 PolarHBondContact N-O 3.07Å; I306-H339 PolarHBondContact O-N 2.81Å; H339-M341 HydrophobicContact CB-CE 4.26Å; H339-M341 WeakPolarHBondContact O-CE 3.3Å; H339-V358 HydrophobicContact CB-CG1 3.76Å; H339-V358 WeakPolarHBondContact ND1-CG1 3.47Å; H339-T360 PolarHBondContact CE1-O 2.97Å; H339-T360 VanDerWaalsContact CE1-O 3.26Å; H339-T360 PolarHBondContact ND1-O 3.09Å; H339-T360 PolarHBondContact ND1-OG1 3.29Å; H339-Y386 PolarHBondContact NE2-O 2.85Å
340	T	98.9	Very high	96.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	130.2	158.4	-63.5	0	0	0	0	109.9	M119 D211 I276 L359 T360	M119-T340 HydrophobicContact CE-CG2 3.98Å; D211-T340 WeakPolarHBondContact CA-OG1 3.17Å; D211-T340 PolarHBondContact N-OG1 3.24Å; D211-T340 WeakPolarHBondContact O-CB 2.9Å; D211-T340 PolarHBondContact O-N 3.14Å; D211-T340 VanDerWaalsContact O-N 3.14Å; D211-T340 PolarHBondContact O-OG1 3.15Å; I276-T340 HydrophobicContact CG2-CG2 3.69Å; T340-L359 HydrophobicContact CG2-CB 4.49Å; T340-L359 HydrophobicContact CG2-CD1 4.28Å; T340-L359 PolarHBondContact O-N 2.96Å; T340-T360 PolarHBondContact N-OG1 3.45Å
341	M	98.8	Very high	96	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	153.9	178.4	69.9	-160.9	75.6	0	0	112.2	M240 V243 C303 F304 I306 H339 I356 E357 V358	M240-M341 HydrophobicContact CG-CE 3.68Å; M240-M341 HydrophobicContact CG-SD 4.05Å; M240-M341 HydrophobicContact SD-CE 3.53Å; M240-M341 VanDerWaalsContact SD-CE 3.53Å; M240-M341 HydrophobicContact SD-SD 4.3Å; V243-M341 HydrophobicContact CG2-SD 4.26Å; C303-M341 WeakPolarHBondContact CA-O 3.43Å; C303-M341 PolarHBondContact SG-O 3.4Å; C303-M341 VanDerWaalsContact SG-O 3.39Å; F304-M341 HydrophobicContact CD2-CG 4.42Å; F304-M341 HydrophobicContact CE2-CG 4.06Å; F304-M341 HydrophobicContact CE2-SD 4.03Å; F304-M341 HydrophobicContact CZ-CG 4.24Å; F304-M341 HydrophobicContact CZ-SD 4.41Å; F304-M341 PolarHBondContact N-O 3.41Å; F304-M341 PolarHBondContact O-N 3.08Å; I306-M341 HydrophobicContact CB-CE 3.94Å; I306-M341 HydrophobicContact CD1-CE 3.97Å; I306-M341 HydrophobicContact CD1-SD 4.04Å; I306-M341 HydrophobicContact CG1-CE 3.77Å; I306-M341 HydrophobicContact CG1-SD 4.3Å; H339-M341 HydrophobicContact CB-CE 4.26Å; H339-M341 WeakPolarHBondContact O-CE 3.3Å; M341-I356 HydrophobicContact SD-CD1 3.91Å; M341-E357 VanDerWaalsContact CA-O 3.29Å; M341-E357 WeakPolarHBondContact CA-O 3.43Å; M341-E357 WeakPolarHBondContact CB-O 3.49Å; M341-V358 HydrophobicContact CB-CG2 4.28Å
342	V	98.7	Very high	95.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	141.4	174.2	63.3	0	0	0	0	110.5	I116 H302 C303 L344 I356 E357 L359	I116-V342 HydrophobicContact CD1-CG2 4.07Å; I116-V342 HydrophobicContact CG1-CG2 4.08Å; I116-V342 HydrophobicContact CG2-CG1 4.27Å; H302-V342 WeakPolarHBondContact O-CA 3.49Å; C303-V342 HydrophobicContact CB-CB 4.44Å; C303-V342 HydrophobicContact CB-CG2 4.48Å; V342-L344 HydrophobicContact CG1-CD2 4.16Å; V342-I356 CarbonylContact O-C 3.56Å; V342-I356 VanDerWaalsContact O-CA 3.26Å; V342-I356 WeakPolarHBondContact O-CA 3.4Å; V342-E357 HydrophobicContact CG1-CB 3.95Å; V342-E357 PolarHBondContact N-O 2.83Å; V342-E357 PolarHBondContact O-N 3.29Å; V342-L359 HydrophobicContact CB-CD1 4.37Å; V342-L359 HydrophobicContact CG1-CD1 4.24Å; V342-L359 HydrophobicContact CG1-CD2 3.85Å; V342-L359 HydrophobicContact CG1-CG 4.24Å
343	I	98.7	Very high	94.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	125.1	171.1	-58.9	177.4	0	0	0	109.1	V243 P245 M298 K299 P300 G301 H302 F304 I356	V243-I343 HydrophobicContact CG1-CD1 4.02Å; V243-I343 HydrophobicContact CG1-CG1 3.98Å; P245-I343 HydrophobicContact CG-CG2 3.73Å; M298-I343 HydrophobicContact CB-CD1 3.47Å; M298-I343 VanDerWaalsContact CB-CD1 3.47Å; M298-I343 HydrophobicContact CG-CD1 3.87Å; K299-I343 WeakPolarHBondContact O-CB 3.26Å; P300-I343 CarbonylContact C-O 3.56Å; P300-I343 WeakPolarHBondContact CA-O 3.48Å; G301-I343 PolarHBondContact N-O 3.34Å; H302-I343 HydrophobicContact CB-CD1 4.43Å; H302-I343 PolarHBondContact O-N 3.5Å; F304-I343 HydrophobicContact CE1-CD1 3.73Å; F304-I343 HydrophobicContact CE1-CG1 3.84Å; F304-I343 HydrophobicContact CZ-CD1 4.16Å; F304-I343 HydrophobicContact CZ-CG1 4.27Å; I343-I356 HydrophobicContact CG1-CG2 4.11Å
344	L	97.8	Very high	94.6	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.026	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-80.4	153.4	-176.1	-59.8	178.6	0	0	0	112.2	V342 L348 A349 N352 P355 E357	V342-L344 HydrophobicContact CG1-CD2 4.16Å; L344-L348 HydrophobicContact CB-CB 4.4Å; L344-L348 HydrophobicContact CD1-CD2 4.44Å; L344-L348 HydrophobicContact CD1-CG 4.13Å; L344-L348 HydrophobicContact CD2-CD2 3.74Å; L344-L348 HydrophobicContact CD2-CG 4.33Å; L344-L348 HydrophobicContact CG-CD2 4.48Å; L344-A349 HydrophobicContact CB-CB 4.16Å; L344-N352 HydrophobicContact CD1-CB 3.81Å; L344-N352 WeakPolarHBondContact CD1-ND2 3.43Å; L344-P355 PolarHBondContact N-O 3.09Å; L344-E357 HydrophobicContact CD1-CB 4.17Å; L344-E357 HydrophobicContact CD2-CB 3.8Å; L344-E357 HydrophobicContact CG-CB 4.18Å
345	K	94.8	Very high	94.4	Very high	89 Å²	89	36.3 Å²	36.3	39%	0.387	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-62.8	150.2	165.5	-67.7	173.1	-179.5	164.1	0	109.9	D113 P300 E347 L348 A349	D113-K345 IonicContact OD1-NZ 2.83Å; D113-K345 PolarHBondContact OD1-NZ 3.25Å; D113-K345 IonicContact OD2-NZ 3.84Å; D113-K345 PolarHBondContact OD2-NZ 3.37Å; P300-K345 HydrophobicContact CB-CG 4.27Å; K345-E347 PolarHBondContact O-N 2.88Å; K345-E347 VanDerWaalsContact O-N 3.13Å; K345-L348 PolarHBondContact O-N 3.05Å; K345-L348 VanDerWaalsContact O-N 3.11Å; K345-A349 WeakPolarHBondContact O-CB 3.29Å; K345-A349 PolarHBondContact O-N 3.26Å
346	P	92.2	Very high	94.4	Very high	87 Å²	87	36.4 Å²	36.4	57%	0.565	22%	0.223	S	C	*	.	H	α-helix	trans	-51.9	-39	-173.5	-28.9	36.4	0	0	0	114.8	A349 A350	P346-A349 PolarHBondContact O-N 2.94Å; P346-A350 PolarHBondContact O-N 3.02Å
347	E	90	Very high	94.3	Very high	141 Å²	141	38.4 Å²	38.4	66%	0.659	23%	0.233	S	C	*	.	H	α-helix	trans	-66.1	-44.8	-178.1	-55.3	73.2	-155.3	0	0	111	K345 A350 S351	K345-E347 PolarHBondContact O-N 2.88Å; K345-E347 VanDerWaalsContact O-N 3.13Å; E347-A350 PolarHBondContact O-N 3.28Å; E347-S351 PolarHBondContact O-N 2.9Å
348	L	89.9	Confident	94.3	Very high	77 Å²	77	38.4 Å²	38.4	40%	0.403	23%	0.233	S	C	.	.	H	α-helix	trans	-73	-36.7	179.1	-171.5	60.3	0	0	0	111.4	L344 K345 A350 S351 N352	L344-L348 HydrophobicContact CB-CB 4.4Å; L344-L348 HydrophobicContact CD1-CD2 4.44Å; L344-L348 HydrophobicContact CD1-CG 4.13Å; L344-L348 HydrophobicContact CD2-CD2 3.74Å; L344-L348 HydrophobicContact CD2-CG 4.33Å; L344-L348 HydrophobicContact CG-CD2 4.48Å; K345-L348 PolarHBondContact O-N 3.05Å; K345-L348 VanDerWaalsContact O-N 3.11Å; L348-A350 VanDerWaalsContact C-N 3.3Å; L348-A350 PolarHBondContact O-N 3.41Å; L348-S351 WeakPolarHBondContact CA-OG 3.39Å; L348-S351 PolarHBondContact O-N 2.9Å; L348-S351 PolarHBondContact O-OG 2.72Å; L348-N352 WeakPolarHBondContact O-CB 3.36Å; L348-N352 PolarHBondContact O-N 3.12Å
349	A	91.1	Very high	94.3	Very high	17 Å²	17	39 Å²	39	14%	0.14	24%	0.236	C	C	.	.	H	α-helix	trans	-58.7	-40.7	173.4	0	0	0	0	0	112.2	L344 K345 P346 N352 G353 M354	L344-A349 HydrophobicContact CB-CB 4.16Å; K345-A349 WeakPolarHBondContact O-CB 3.29Å; K345-A349 PolarHBondContact O-N 3.26Å; P346-A349 PolarHBondContact O-N 2.94Å; A349-N352 PolarHBondContact O-N 3.08Å; A349-G353 PolarHBondContact O-N 2.63Å; A349-M354 PolarHBondContact O-N 3Å
350	A	88.4	Confident	94.3	Very high	81 Å²	81	38.5 Å²	38.5	67%	0.669	23%	0.234	S	C	*	.	H	α-helix	trans	-62.6	-43.4	176.8	0	0	0	0	0	111.8	P346 E347 L348	P346-A350 PolarHBondContact O-N 3.02Å; E347-A350 PolarHBondContact O-N 3.28Å; L348-A350 VanDerWaalsContact C-N 3.3Å; L348-A350 PolarHBondContact O-N 3.41Å
351	S	88	Confident	94.2	Very high	94 Å²	94	41.2 Å²	41.2	66%	0.657	25%	0.246	S	C	*	.	H	α-helix	trans	-71.4	-32.3	176.1	54.4	0	0	0	0	113.9	E347 L348 G353	E347-S351 PolarHBondContact O-N 2.9Å; L348-S351 WeakPolarHBondContact CA-OG 3.39Å; L348-S351 PolarHBondContact O-N 2.9Å; L348-S351 PolarHBondContact O-OG 2.72Å; S351-G353 VanDerWaalsContact C-N 3.3Å
352	N	85.5	Confident	94.2	Very high	63 Å²	63	42.7 Å²	42.7	34%	0.337	25%	0.251	S	S	.	.	H	α-helix	trans	-79.4	-13.9	-180	-173.7	58	0	0	0	112.6	L344 L348 A349 M354 I356	L344-N352 HydrophobicContact CD1-CB 3.81Å; L344-N352 WeakPolarHBondContact CD1-ND2 3.43Å; L348-N352 WeakPolarHBondContact O-CB 3.36Å; L348-N352 PolarHBondContact O-N 3.12Å; A349-N352 PolarHBondContact O-N 3.08Å; N352-M354 WeakPolarHBondContact ND2-CG 3.49Å; N352-M354 PolarHBondContact ND2-O 3.12Å; N352-M354 VanDerWaalsContact ND2-O 3.16Å; N352-M354 PolarHBondContact O-N 3.07Å; N352-I356 PolarHBondContact ND2-O 3.06Å
353	G	87.9	Confident	94	Very high	53 Å²	53	47.9 Å²	47.9	55%	0.546	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	3.6	-178.4	0	0	0	0	0	114.5	A349 S351	A349-G353 PolarHBondContact O-N 2.63Å; S351-G353 VanDerWaalsContact C-N 3.3Å
354	M	91.7	Very high	93.8	Very high	23 Å²	23	51 Å²	51	11%	0.113	29%	0.292	C	S	.	.	S	Bend	trans	-156.1	156.3	172.9	90.1	-171.8	82.8	0	0	110.3	A349 N352 I356 R385 Y386	A349-M354 PolarHBondContact O-N 3Å; N352-M354 WeakPolarHBondContact ND2-CG 3.49Å; N352-M354 PolarHBondContact ND2-O 3.12Å; N352-M354 VanDerWaalsContact ND2-O 3.16Å; N352-M354 PolarHBondContact O-N 3.07Å; M354-I356 HydrophobicContact CG-CG1 3.97Å; M354-I356 WeakPolarHBondContact CG-O 3.35Å; M354-I356 PolarHBondContact O-N 2.74Å; M354-I356 HydrophobicContact SD-CG1 3.87Å; M354-R385 HydrophobicContact CE-CB 3.51Å; M354-R385 HydrophobicContact CE-CG 3.28Å; M354-R385 HydrophobicContact SD-CB 4.1Å; M354-R385 HydrophobicContact SD-CG 4.16Å; M354-Y386 HydrophobicContact SD-CE1 3.7Å
355	P	95.8	Very high	93.3	Very high	16 Å²	16	57 Å²	57	10%	0.104	32%	0.317	C	S	.	.	S	Bend	trans	-74.4	-5.5	-174.2	33.4	-41.5	0	0	0	115.2	V243 F244 L344	V243-P355 WeakPolarHBondContact O-CG 3.26Å; F244-P355 HydrophobicContact CD1-CB 4.01Å; F244-P355 HydrophobicContact CD1-CG 3.51Å; F244-P355 HydrophobicContact CD2-CG 4.43Å; F244-P355 HydrophobicContact CE1-CB 4.44Å; F244-P355 HydrophobicContact CE1-CG 3.65Å; F244-P355 HydrophobicContact CG-CG 3.9Å; F244-P355 HydrophobicContact CZ-CG 4.18Å; L344-P355 PolarHBondContact N-O 3.09Å
356	I	97.9	Very high	93.1	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	152.3	-177.4	59.8	172.5	0	0	0	112.2	M240 V243 M341 V342 I343 N352 M354 V358 Y386	M240-I356 HydrophobicContact CB-CD1 4.11Å; V243-I356 HydrophobicContact CB-CD1 4.43Å; V243-I356 HydrophobicContact CB-CG2 3.85Å; V243-I356 HydrophobicContact CG1-CG2 3.31Å; M341-I356 HydrophobicContact SD-CD1 3.91Å; V342-I356 CarbonylContact O-C 3.56Å; V342-I356 VanDerWaalsContact O-CA 3.26Å; V342-I356 WeakPolarHBondContact O-CA 3.4Å; I343-I356 HydrophobicContact CG1-CG2 4.11Å; N352-I356 PolarHBondContact ND2-O 3.06Å; M354-I356 HydrophobicContact CG-CG1 3.97Å; M354-I356 WeakPolarHBondContact CG-O 3.35Å; M354-I356 PolarHBondContact O-N 2.74Å; M354-I356 HydrophobicContact SD-CG1 3.87Å; I356-V358 HydrophobicContact CD1-CG2 4.29Å; I356-Y386 HydrophobicContact CD1-CE1 3.97Å
357	E	97.7	Very high	92.9	Very high	43 Å²	43	57.6 Å²	57.6	20%	0.201	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.8	163.4	-171.5	-176.2	170.7	0	0	108.2	R120 M341 V342 L344 L359	R120-E357 WeakPolarHBondContact CD-OE1 3.31Å; R120-E357 IonicContact CZ-OE2 2.98Å; R120-E357 IonicContact NE-OE1 2.78Å; R120-E357 PolarHBondContact NE-OE1 3.22Å; R120-E357 IonicContact NE-OE2 3.76Å; R120-E357 PolarHBondContact NE-OE2 2.94Å; R120-E357 IonicContact NH2-OE2 2.71Å; R120-E357 PolarHBondContact NH2-OE2 3.44Å; M341-E357 VanDerWaalsContact CA-O 3.29Å; M341-E357 WeakPolarHBondContact CA-O 3.43Å; M341-E357 WeakPolarHBondContact CB-O 3.49Å; V342-E357 HydrophobicContact CG1-CB 3.95Å; V342-E357 PolarHBondContact N-O 2.83Å; V342-E357 PolarHBondContact O-N 3.29Å; L344-E357 HydrophobicContact CD1-CB 4.17Å; L344-E357 HydrophobicContact CD2-CB 3.8Å; L344-E357 HydrophobicContact CG-CB 4.18Å; E357-L359 HydrophobicContact CB-CD2 4.23Å; E357-L359 HydrophobicContact CG-CD2 3.87Å; E357-L359 PolarHBondContact O-N 2.83Å
358	V	98.5	Very high	93.1	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.03	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	109	173.5	177	0	0	0	0	108.4	M240 H339 M341 I356 T360 K361 Y386	M240-V358 HydrophobicContact SD-CG2 4.06Å; H339-V358 HydrophobicContact CB-CG1 3.76Å; H339-V358 WeakPolarHBondContact ND1-CG1 3.47Å; M341-V358 HydrophobicContact CB-CG2 4.28Å; I356-V358 HydrophobicContact CD1-CG2 4.29Å; V358-T360 VanDerWaalsContact C-N 3.33Å; V358-K361 HydrophobicContact CB-CB 4.19Å; V358-K361 HydrophobicContact CG1-CB 3.88Å; V358-K361 WeakPolarHBondContact O-CG 3.38Å; V358-Y386 HydrophobicContact CB-CD1 4.5Å; V358-Y386 HydrophobicContact CG2-CD1 3.52Å; V358-Y386 HydrophobicContact CG2-CE1 4.05Å; V358-Y386 HydrophobicContact CG2-CG 4.47Å
359	L	98.7	Very high	93	Very high	12 Å²	12	52.2 Å²	52.2	6%	0.063	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-23.9	-170.4	-55.8	-172.1	0	0	0	112.4	M119 R120 G123 K124 T340 V342 E357	M119-L359 HydrophobicContact CB-CD1 3.55Å; R120-L359 HydrophobicContact CG-CD2 3.88Å; G123-L359 CarbonylContact C-O 3.49Å; G123-L359 VanDerWaalsContact C-O 3.29Å; K124-L359 PolarHBondContact N-O 2.99Å; T340-L359 HydrophobicContact CG2-CB 4.49Å; T340-L359 HydrophobicContact CG2-CD1 4.28Å; T340-L359 PolarHBondContact O-N 2.96Å; V342-L359 HydrophobicContact CB-CD1 4.37Å; V342-L359 HydrophobicContact CG1-CD1 4.24Å; V342-L359 HydrophobicContact CG1-CD2 3.85Å; V342-L359 HydrophobicContact CG1-CG 4.24Å; E357-L359 HydrophobicContact CB-CD2 4.23Å; E357-L359 HydrophobicContact CG-CD2 3.87Å; E357-L359 PolarHBondContact O-N 2.83Å
360	T	98.8	Very high	93.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	20.7	-179.3	59	0	0	0	0	112.5	G123 A126 R127 D211 V212 H339 T340 V358	G123-T360 WeakPolarHBondContact O-CG2 3.17Å; A126-T360 HydrophobicContact CB-CG2 4.45Å; R127-T360 PolarHBondContact NE-O 2.83Å; R127-T360 PolarHBondContact NH2-O 3.45Å; R127-T360 VanDerWaalsContact NH2-O 3.17Å; D211-T360 WeakPolarHBondContact O-CG2 3.45Å; V212-T360 HydrophobicContact CB-CG2 3.94Å; V212-T360 HydrophobicContact CG1-CG2 4.38Å; H339-T360 PolarHBondContact CE1-O 2.97Å; H339-T360 VanDerWaalsContact CE1-O 3.26Å; H339-T360 PolarHBondContact ND1-O 3.09Å; H339-T360 PolarHBondContact ND1-OG1 3.29Å; T340-T360 PolarHBondContact N-OG1 3.45Å; V358-T360 VanDerWaalsContact C-N 3.33Å
361	K	97.9	Very high	93.2	Very high	58 Å²	58	54.4 Å²	54.4	25%	0.252	32%	0.324	S	S	.	.			trans	-63.3	141.9	178.9	68.1	-178.8	177.6	179.3	0	111.1	V358 H363 Y386	V358-K361 HydrophobicContact CB-CB 4.19Å; V358-K361 HydrophobicContact CG1-CB 3.88Å; V358-K361 WeakPolarHBondContact O-CG 3.38Å; K361-H363 VanDerWaalsContact CE-CE1 3.43Å; K361-H363 WeakPolarHBondContact CE-CE1 3.36Å; K361-H363 WeakPolarHBondContact CE-NE2 3.37Å; K361-H363 PolarHBondContact O-CD2 3.03Å; K361-Y386 VanDerWaalsContact CB-O 3.25Å; K361-Y386 WeakPolarHBondContact CB-O 3.44Å
362	R	97.9	Very high	93.1	Very high	30 Å²	30	53.3 Å²	53.3	11%	0.113	33%	0.328	C	S	.	.			trans	-73.3	132.5	177.9	-166.2	-172.7	175.5	-157.9	-3.2	111	E131 R388 Y390 D393	E131-R362 WeakPolarHBondContact OE1-CG 3.49Å; E131-R362 IonicContact OE1-NE 2.77Å; R362-R388 VanDerWaalsContact CD-O 3.23Å; R362-R388 WeakPolarHBondContact CD-O 3.16Å; R362-R388 PolarHBondContact NH1-O 3.13Å; R362-Y390 HydrophobicContact CG-CE2 4.38Å; R362-Y390 VanDerWaalsContact CZ-CZ 3.48Å; R362-Y390 VanDerWaalsContact NH2-CE1 3.27Å; R362-D393 IonicContact CZ-OD2 3.73Å; R362-D393 IonicContact NH1-OD1 3.79Å; R362-D393 IonicContact NH1-OD2 3.23Å; R362-D393 PolarHBondContact NH1-OD2 3.46Å; R362-D393 IonicContact NH2-OD2 2.75Å; R362-D393 PolarHBondContact NH2-OD2 2.96Å
363	H	95.4	Very high	93.3	Very high	110 Å²	110	52.3 Å²	52.3	51%	0.509	33%	0.326	S	S	.	.			trans	-112.4	112.8	172.7	-71.4	-87.5	0	0	0	109.4	K361 K365	K361-H363 VanDerWaalsContact CE-CE1 3.43Å; K361-H363 WeakPolarHBondContact CE-CE1 3.36Å; K361-H363 WeakPolarHBondContact CE-NE2 3.37Å; K361-H363 PolarHBondContact O-CD2 3.03Å; H363-K365 PolarHBondContact O-N 3.39Å
364	I	93.3	Very high	93.3	Very high	66 Å²	66	59.5 Å²	59.5	34%	0.338	34%	0.342	S	S	.	.			trans	-66	112.8	-179.3	-60.4	165.5	0	0	0	109.2	D368 R388	I364-D368 HydrophobicContact CG2-CB 3.94Å; I364-R388 VanDerWaalsContact CD1-CZ 3.41Å
365	K	87.9	Confident	93.3	Very high	129 Å²	129	60.1 Å²	60.1	56%	0.561	34%	0.344	S	S	*	.			trans	-93	133.3	176.4	-65.8	172.7	-177.4	171.3	0	109.8	E128 H363	E128-K365 IonicContact OE1-NZ 3.38Å; E128-K365 PolarHBondContact OE1-NZ 3.47Å; H363-K365 PolarHBondContact O-N 3.39Å
366	G	90	Very high	93.2	Very high	77 Å²	77	61.2 Å²	61.2	79%	0.794	35%	0.349	S	S	*	.	S	Bend	trans	76.3	-143.3	178.8	0	0	0	0	0	114	D368	G366-D368 PolarHBondContact O-N 2.78Å
367	S	89.6	Confident	92.9	Very high	113 Å²	113	70.3 Å²	70.3	79%	0.79	39%	0.388	S	S	*	.			trans	-72.6	120.9	-177.5	59.4	0	0	0	0	111.7	P369	S367-P369 VanDerWaalsContact O-CD 3.31Å; S367-P369 WeakPolarHBondContact O-CD 3.24Å
368	D	93.8	Very high	92.7	Very high	50 Å²	50	70.5 Å²	70.5	27%	0.267	39%	0.389	S	S	.	.			trans	-78.9	114.2	170.8	-178.6	1.9	0	0	0	110.8	I364 G366 L370 N371 R388	I364-D368 HydrophobicContact CG2-CB 3.94Å; G366-D368 PolarHBondContact O-N 2.78Å; D368-L370 PolarHBondContact O-N 3.42Å; D368-L370 PolarHBondContact OD1-N 3.5Å; D368-N371 HydrophobicContact CB-CB 4.14Å; D368-N371 VanDerWaalsContact O-CB 3.31Å; D368-N371 WeakPolarHBondContact O-CB 3.34Å; D368-N371 PolarHBondContact O-N 2.88Å; D368-N371 VanDerWaalsContact O-N 3.1Å; D368-R388 VanDerWaalsContact CG-NH1 3.34Å; D368-R388 IonicContact OD1-CZ 3.28Å; D368-R388 VanDerWaalsContact OD1-CZ 3.29Å; D368-R388 IonicContact OD1-NH1 3.67Å; D368-R388 PolarHBondContact OD1-NH1 3.01Å; D368-R388 IonicContact OD1-NH2 3.65Å; D368-R388 PolarHBondContact OD1-NH2 2.83Å; D368-R388 IonicContact OD2-CZ 3.01Å; D368-R388 IonicContact OD2-NH1 3.97Å; D368-R388 PolarHBondContact OD2-NH1 3.08Å; D368-R388 IonicContact OD2-NH2 2.98Å
369	P	87.3	Confident	92.6	Very high	55 Å²	55	70.3 Å²	70.3	36%	0.357	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.5	178.3	25.3	-33.1	0	0	0	113.9	S367 Y396	S367-P369 VanDerWaalsContact O-CD 3.31Å; S367-P369 WeakPolarHBondContact O-CD 3.24Å; P369-Y396 WeakPolarHBondContact O-CE1 3.42Å
370	L	92.9	Very high	92.4	Very high	3 Å²	3	72.8 Å²	72.8	2%	0.016	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	14.4	178.9	-72.3	72.7	0	0	0	111.5	D368 G372 C373 F375 V392 Y396	D368-L370 PolarHBondContact O-N 3.42Å; D368-L370 PolarHBondContact OD1-N 3.5Å; L370-G372 PolarHBondContact O-N 3.15Å; L370-C373 HydrophobicContact CB-CB 4.16Å; L370-C373 WeakPolarHBondContact O-CB 3.21Å; L370-C373 PolarHBondContact O-N 3.03Å; L370-F375 HydrophobicContact CB-CZ 4.06Å; L370-F375 HydrophobicContact CD2-CE1 3.81Å; L370-F375 HydrophobicContact CD2-CZ 3.46Å; L370-F375 VanDerWaalsContact CD2-CZ 3.46Å; L370-F375 HydrophobicContact CG-CZ 4.35Å; L370-V392 HydrophobicContact CD2-CG1 3.88Å; L370-Y396 HydrophobicContact CD1-CD1 3.48Å; L370-Y396 VanDerWaalsContact CD1-CD1 3.48Å; L370-Y396 HydrophobicContact CD1-CE1 4.18Å; L370-Y396 HydrophobicContact CD1-CG 3.67Å; L370-Y396 HydrophobicContact CD2-CD2 4.42Å; L370-Y396 HydrophobicContact CD2-CG 4.1Å; L370-Y396 HydrophobicContact CG-CD1 3.82Å; L370-Y396 HydrophobicContact CG-CD2 4.02Å; L370-Y396 HydrophobicContact CG-CE1 4.32Å; L370-Y396 HydrophobicContact CG-CG 3.64Å
371	N	90.2	Very high	92.1	Very high	140 Å²	140	75.8 Å²	75.8	75%	0.749	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	127.6	173.7	-171.5	30.6	0	0	0	110.6	D368 C373	D368-N371 HydrophobicContact CB-CB 4.14Å; D368-N371 VanDerWaalsContact O-CB 3.31Å; D368-N371 WeakPolarHBondContact O-CB 3.34Å; D368-N371 PolarHBondContact O-N 2.88Å; D368-N371 VanDerWaalsContact O-N 3.1Å; N371-C373 VanDerWaalsContact C-N 3.28Å; N371-C373 PolarHBondContact O-N 3.42Å
372	G	86.2	Confident	92	Very high	71 Å²	71	73 Å²	73	73%	0.732	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-5.5	-175.7	0	0	0	0	0	115.5	L370	L370-G372 PolarHBondContact O-N 3.15Å
373	C	89.3	Confident	91.9	Very high	43 Å²	43	72.7 Å²	72.7	29%	0.291	41%	0.407	S	S	.	.			trans	-66.4	135.8	169	-68.1	0	0	0	0	109.9	L370 N371 F375 Y396	L370-C373 HydrophobicContact CB-CB 4.16Å; L370-C373 WeakPolarHBondContact O-CB 3.21Å; L370-C373 PolarHBondContact O-N 3.03Å; N371-C373 VanDerWaalsContact C-N 3.28Å; N371-C373 PolarHBondContact O-N 3.42Å; C373-F375 HydrophobicContact CB-CE2 4.29Å; C373-F375 HydrophobicContact CB-CZ 4.2Å; C373-Y396 VanDerWaalsContact SG-CE2 3.57Å
374	K	88.2	Confident	91.8	Very high	204 Å²	204	74.6 Å²	74.6	89%	0.887	42%	0.416	S	S	*	.			trans	-95.7	110.9	175.3	-68	-174.8	179.4	-178.9	0	109.3
375	F	92.7	Very high	91.8	Very high	36 Å²	36	74.5 Å²	74.5	16%	0.158	41%	0.411	C	S	.	.			trans	-88.1	164.5	168.2	-51.9	-82.1	0	0	0	110	L370 C373 D379 F383 V392	L370-F375 HydrophobicContact CB-CZ 4.06Å; L370-F375 HydrophobicContact CD2-CE1 3.81Å; L370-F375 HydrophobicContact CD2-CZ 3.46Å; L370-F375 VanDerWaalsContact CD2-CZ 3.46Å; L370-F375 HydrophobicContact CG-CZ 4.35Å; C373-F375 HydrophobicContact CB-CE2 4.29Å; C373-F375 HydrophobicContact CB-CZ 4.2Å; F375-D379 HydrophobicContact CB-CB 4.06Å; F375-F383 AromaticContact CD1-CE2 3.71Å; F375-F383 HydrophobicContact CD1-CE2 3.71Å; F375-F383 HydrophobicContact CD2-CD2 4.15Å; F375-F383 HydrophobicContact CD2-CE2 4.12Å; F375-F383 AromaticContact CE1-CE2 3.76Å; F375-F383 HydrophobicContact CE1-CE2 3.76Å; F375-F383 HydrophobicContact CE2-CD2 4.19Å; F375-F383 HydrophobicContact CE2-CE2 4.18Å; F375-F383 HydrophobicContact CG-CD2 4.31Å; F375-F383 AromaticContact CG-CE2 3.88Å; F375-F383 HydrophobicContact CG-CE2 3.88Å; F375-F383 HydrophobicContact CZ-CD2 4.37Å; F375-F383 AromaticContact CZ-CE2 3.98Å; F375-F383 HydrophobicContact CZ-CE2 3.98Å; F375-V392 HydrophobicContact CE1-CG1 4.13Å
376	N	93.1	Very high	92.2	Very high	39 Å²	39	68.5 Å²	68.5	21%	0.209	39%	0.385	C	S	.	.			trans	-62.1	161.5	166.6	66.3	78	0	0	0	110.7	E378 D379 T380 D403 T405 V406	N376-E378 VanDerWaalsContact C-N 3.25Å; N376-E378 PolarHBondContact O-N 3.42Å; N376-E378 PolarHBondContact OD1-N 3.07Å; N376-D379 VanDerWaalsContact ND2-CG 3.29Å; N376-D379 PolarHBondContact ND2-OD2 3.09Å; N376-D379 PolarHBondContact O-N 3.27Å; N376-D379 PolarHBondContact OD1-N 2.86Å; N376-T380 PolarHBondContact O-N 3.24Å; N376-T380 PolarHBondContact O-OG1 3.02Å; N376-D403 PolarHBondContact ND2-OD1 2.91Å; N376-T405 PolarHBondContact OD1-OG1 2.78Å; N376-V406 HydrophobicContact CB-CG2 4.29Å; N376-V406 WeakPolarHBondContact ND2-CG2 3.49Å
377	K	92.4	Very high	92.5	Very high	192 Å²	192	65.2 Å²	65.2	84%	0.835	35%	0.351	S	S	*	.	H	α-helix	trans	-57.9	-38.1	-173.6	-178.5	179.6	177.8	-178.4	0	112.7	L381	K377-L381 PolarHBondContact O-N 3.17Å
378	E	93.4	Very high	92.9	Very high	48 Å²	48	60.4 Å²	60.4	22%	0.224	32%	0.316	C	S	.	.	H	α-helix	trans	-72.9	-48.5	-176.5	-172.2	-177.5	149.2	0	0	111.4	R238 N376 T380 L381 H382 T405	R238-E378 IonicContact CZ-OE1 2.82Å; R238-E378 IonicContact CZ-OE2 3.49Å; R238-E378 VanDerWaalsContact CZ-OE2 3.28Å; R238-E378 IonicContact NE-OE1 3.57Å; R238-E378 PolarHBondContact NE-OE1 2.72Å; R238-E378 IonicContact NH1-OE1 3.71Å; R238-E378 PolarHBondContact NH1-OE1 3.24Å; R238-E378 IonicContact NH1-OE2 3.38Å; R238-E378 IonicContact NH2-OE1 2.88Å; R238-E378 PolarHBondContact NH2-OE1 3.17Å; R238-E378 IonicContact NH2-OE2 3.34Å; R238-E378 PolarHBondContact NH2-OE2 3.44Å; N376-E378 VanDerWaalsContact C-N 3.25Å; N376-E378 PolarHBondContact O-N 3.42Å; N376-E378 PolarHBondContact OD1-N 3.07Å; E378-T380 VanDerWaalsContact C-N 3.28Å; E378-T380 PolarHBondContact O-N 3.5Å; E378-L381 WeakPolarHBondContact O-CB 3.39Å; E378-L381 PolarHBondContact O-N 2.93Å; E378-L381 VanDerWaalsContact O-N 3.11Å; E378-H382 PolarHBondContact O-N 3.02Å; E378-H382 IonicContact OE1-CE1 3.17Å; E378-H382 PolarHBondContact OE1-CE1 3.28Å; E378-H382 VanDerWaalsContact OE1-CE1 3.28Å; E378-T405 VanDerWaalsContact CD-CB 3.48Å; E378-T405 HydrophobicContact CG-CG2 4.15Å; E378-T405 WeakPolarHBondContact OE1-CB 3.48Å; E378-T405 VanDerWaalsContact OE1-CG2 3.28Å; E378-T405 WeakPolarHBondContact OE1-CG2 3.35Å
379	D	95.3	Very high	93.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.1	-39.4	175.9	-75	-13.5	0	0	0	111.8	F375 N376 L381 H382 F383 D403 C404 T405	F375-D379 HydrophobicContact CB-CB 4.06Å; N376-D379 VanDerWaalsContact ND2-CG 3.29Å; N376-D379 PolarHBondContact ND2-OD2 3.09Å; N376-D379 PolarHBondContact O-N 3.27Å; N376-D379 PolarHBondContact OD1-N 2.86Å; D379-L381 VanDerWaalsContact C-N 3.32Å; D379-L381 PolarHBondContact O-N 2.63Å; D379-H382 PolarHBondContact O-N 2.94Å; D379-F383 HydrophobicContact CB-CE1 4.48Å; D379-F383 HydrophobicContact CB-CE2 4.07Å; D379-F383 HydrophobicContact CB-CZ 3.98Å; D379-F383 WeakPolarHBondContact O-CB 3.49Å; D379-F383 WeakPolarHBondContact O-CD1 3.32Å; D379-F383 WeakPolarHBondContact O-CD2 2.95Å; D379-F383 WeakPolarHBondContact O-CG 3.39Å; D379-F383 PolarHBondContact O-N 3.14Å; D379-D403 WeakPolarHBondContact OD2-CA 3.49Å; D379-C404 WeakPolarHBondContact OD1-CB 3.48Å; D379-C404 PolarHBondContact OD2-N 3.24Å; D379-T405 WeakPolarHBondContact OD1-CB 3.48Å; D379-T405 WeakPolarHBondContact OD1-CG2 3.46Å; D379-T405 PolarHBondContact OD1-N 2.8Å; D379-T405 PolarHBondContact OD1-OG1 2.91Å
380	T	94.7	Very high	93.5	Very high	65 Å²	65	56.5 Å²	56.5	40%	0.399	29%	0.291	S	S	.	.	H	α-helix	trans	-58.8	-46.3	175.7	-59	0	0	0	0	110.8	N376 E378 F383 E384	N376-T380 PolarHBondContact O-N 3.24Å; N376-T380 PolarHBondContact O-OG1 3.02Å; E378-T380 VanDerWaalsContact C-N 3.28Å; E378-T380 PolarHBondContact O-N 3.5Å; T380-F383 PolarHBondContact O-N 3.22Å; T380-E384 PolarHBondContact O-N 2.85Å; T380-E384 VanDerWaalsContact O-N 3.09Å
381	L	93.3	Very high	93.8	Very high	62 Å²	62	56.3 Å²	56.3	33%	0.325	29%	0.29	S	S	.	.	H	α-helix	trans	-63.8	-45.5	177.9	-175.3	65.6	0	0	0	111.2	K377 E378 D379 F383 E384 R385	K377-L381 PolarHBondContact O-N 3.17Å; E378-L381 WeakPolarHBondContact O-CB 3.39Å; E378-L381 PolarHBondContact O-N 2.93Å; E378-L381 VanDerWaalsContact O-N 3.11Å; D379-L381 VanDerWaalsContact C-N 3.32Å; D379-L381 PolarHBondContact O-N 2.63Å; L381-F383 PolarHBondContact O-N 3.02Å; L381-E384 PolarHBondContact O-N 3.24Å; L381-R385 HydrophobicContact CD1-CG 4.23Å; L381-R385 HydrophobicContact CG-CG 4.37Å; L381-R385 WeakPolarHBondContact O-CB 3.43Å; L381-R385 WeakPolarHBondContact O-CG 3.43Å; L381-R385 PolarHBondContact O-N 3.06Å
382	H	95.4	Very high	94.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-38.8	178.9	-68.3	161.4	0	0	0	112.8	V237 D241 E378 D379 E384 R385 Y386 T405	V237-H382 HydrophobicContact CB-CB 4.49Å; V237-H382 HydrophobicContact CG1-CB 4.41Å; V237-H382 VanDerWaalsContact CG2-ND1 3.34Å; V237-H382 WeakPolarHBondContact CG2-ND1 3.22Å; D241-H382 IonicContact OD1-CD2 2.83Å; D241-H382 IonicContact OD1-NE2 3.38Å; D241-H382 IonicContact OD2-CD2 2.63Å; D241-H382 IonicContact OD2-CE1 3.35Å; D241-H382 IonicContact OD2-NE2 2.78Å; D241-H382 PolarHBondContact OD2-NE2 3.08Å; E378-H382 PolarHBondContact O-N 3.02Å; E378-H382 IonicContact OE1-CE1 3.17Å; E378-H382 PolarHBondContact OE1-CE1 3.28Å; E378-H382 VanDerWaalsContact OE1-CE1 3.28Å; D379-H382 PolarHBondContact O-N 2.94Å; H382-E384 VanDerWaalsContact C-N 3.34Å; H382-E384 PolarHBondContact O-N 2.8Å; H382-R385 PolarHBondContact O-N 3.42Å; H382-Y386 HydrophobicContact CB-CD2 4.18Å; H382-Y386 AromaticContact CD2-CE2 3.75Å; H382-Y386 WeakPolarHBondContact O-CA 3.49Å; H382-Y386 WeakPolarHBondContact O-CB 3.5Å; H382-Y386 PolarHBondContact O-N 3.16Å; H382-T405 WeakPolarHBondContact ND1-CG2 3.4Å
383	F	95.7	Very high	94.6	Very high	23 Å²	23	46.7 Å²	46.7	10%	0.101	22%	0.222	C	C	.	.	H	α-helix	trans	-67.2	-35.9	177.4	-62.4	-13.3	0	0	0	112.3	Y233 F375 D379 T380 L381 G387 R388 V392	Y233-F383 HydrophobicContact CE1-CE1 4.2Å; Y233-F383 WeakPolarHBondContact OH-CD1 3.38Å; F375-F383 AromaticContact CD1-CE2 3.71Å; F375-F383 HydrophobicContact CD1-CE2 3.71Å; F375-F383 HydrophobicContact CD2-CD2 4.15Å; F375-F383 HydrophobicContact CD2-CE2 4.12Å; F375-F383 AromaticContact CE1-CE2 3.76Å; F375-F383 HydrophobicContact CE1-CE2 3.76Å; F375-F383 HydrophobicContact CE2-CD2 4.19Å; F375-F383 HydrophobicContact CE2-CE2 4.18Å; F375-F383 HydrophobicContact CG-CD2 4.31Å; F375-F383 AromaticContact CG-CE2 3.88Å; F375-F383 HydrophobicContact CG-CE2 3.88Å; F375-F383 HydrophobicContact CZ-CD2 4.37Å; F375-F383 AromaticContact CZ-CE2 3.98Å; F375-F383 HydrophobicContact CZ-CE2 3.98Å; D379-F383 HydrophobicContact CB-CE1 4.48Å; D379-F383 HydrophobicContact CB-CE2 4.07Å; D379-F383 HydrophobicContact CB-CZ 3.98Å; D379-F383 WeakPolarHBondContact O-CB 3.49Å; D379-F383 WeakPolarHBondContact O-CD1 3.32Å; D379-F383 WeakPolarHBondContact O-CD2 2.95Å; D379-F383 WeakPolarHBondContact O-CG 3.39Å; D379-F383 PolarHBondContact O-N 3.14Å; T380-F383 PolarHBondContact O-N 3.22Å; L381-F383 PolarHBondContact O-N 3.02Å; F383-G387 CarbonylContact O-C 3.59Å; F383-G387 WeakPolarHBondContact O-CA 3.46Å; F383-G387 PolarHBondContact O-N 2.81Å; F383-G387 VanDerWaalsContact O-N 3.07Å; F383-R388 HydrophobicContact CB-CB 4.03Å; F383-R388 HydrophobicContact CD1-CB 4.02Å; F383-R388 HydrophobicContact CD1-CG 3.97Å; F383-R388 HydrophobicContact CD2-CB 4.2Å; F383-R388 HydrophobicContact CD2-CG 3.83Å; F383-R388 HydrophobicContact CE1-CG 4.08Å; F383-R388 HydrophobicContact CE2-CG 3.93Å; F383-R388 HydrophobicContact CG-CB 3.81Å; F383-R388 HydrophobicContact CG-CG 3.86Å; F383-R388 HydrophobicContact CZ-CG 4.06Å; F383-V392 HydrophobicContact CE1-CG2 4.25Å; F383-V392 HydrophobicContact CE2-CG1 4.25Å; F383-V392 HydrophobicContact CZ-CG1 4.08Å; F383-V392 HydrophobicContact CZ-CG2 3.87Å
384	E	93.1	Very high	95	Very high	150 Å²	150	46.6 Å²	46.6	70%	0.701	22%	0.217	S	C	*	.	H	α-helix	trans	-66.4	-45.3	173.2	-176.9	-178.9	177.5	0	0	111.5	T380 L381 H382	T380-E384 PolarHBondContact O-N 2.85Å; T380-E384 VanDerWaalsContact O-N 3.09Å; L381-E384 PolarHBondContact O-N 3.24Å; H382-E384 VanDerWaalsContact C-N 3.34Å; H382-E384 PolarHBondContact O-N 2.8Å
385	R	94	Very high	95.4	Very high	65 Å²	65	36.9 Å²	36.9	25%	0.245	18%	0.175	C	C	.	.	H	α-helix	trans	-74.9	-45	-174.8	-69.9	-171.4	167.4	173.7	-5.9	113.5	D241 M354 L381 H382	D241-R385 IonicContact OD1-NH1 3.06Å; D241-R385 PolarHBondContact OD1-NH1 3.22Å; M354-R385 HydrophobicContact CE-CB 3.51Å; M354-R385 HydrophobicContact CE-CG 3.28Å; M354-R385 HydrophobicContact SD-CB 4.1Å; M354-R385 HydrophobicContact SD-CG 4.16Å; L381-R385 HydrophobicContact CD1-CG 4.23Å; L381-R385 HydrophobicContact CG-CG 4.37Å; L381-R385 WeakPolarHBondContact O-CB 3.43Å; L381-R385 WeakPolarHBondContact O-CG 3.43Å; L381-R385 PolarHBondContact O-N 3.06Å; H382-R385 PolarHBondContact O-N 3.42Å
386	Y	96.5	Very high	95.5	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-117.2	-5.6	-165.1	-50	-42.6	0	0	0	113.2	V237 M240 D241 H339 M354 I356 V358 K361 H382	V237-Y386 HydrophobicContact CB-CD2 4.1Å; V237-Y386 HydrophobicContact CB-CE2 4.26Å; V237-Y386 HydrophobicContact CG1-CD2 3.91Å; M240-Y386 HydrophobicContact CB-CE1 4.13Å; M240-Y386 HydrophobicContact CB-CE2 4.09Å; M240-Y386 HydrophobicContact CE-CD1 3.82Å; M240-Y386 HydrophobicContact CE-CD2 3.48Å; M240-Y386 VanDerWaalsContact CE-CD2 3.48Å; M240-Y386 HydrophobicContact CE-CE1 4.24Å; M240-Y386 HydrophobicContact CE-CE2 3.93Å; M240-Y386 HydrophobicContact CE-CG 3.4Å; M240-Y386 HydrophobicContact SD-CD1 4.39Å; D241-Y386 WeakPolarHBondContact CA-OH 3.31Å; D241-Y386 PolarHBondContact N-OH 3.32Å; D241-Y386 PolarHBondContact OD1-OH 3.45Å; H339-Y386 PolarHBondContact NE2-O 2.85Å; M354-Y386 HydrophobicContact SD-CE1 3.7Å; I356-Y386 HydrophobicContact CD1-CE1 3.97Å; V358-Y386 HydrophobicContact CB-CD1 4.5Å; V358-Y386 HydrophobicContact CG2-CD1 3.52Å; V358-Y386 HydrophobicContact CG2-CE1 4.05Å; V358-Y386 HydrophobicContact CG2-CG 4.47Å; K361-Y386 VanDerWaalsContact CB-O 3.25Å; K361-Y386 WeakPolarHBondContact CB-O 3.44Å; H382-Y386 HydrophobicContact CB-CD2 4.18Å; H382-Y386 AromaticContact CD2-CE2 3.75Å; H382-Y386 WeakPolarHBondContact O-CA 3.49Å; H382-Y386 WeakPolarHBondContact O-CB 3.5Å; H382-Y386 PolarHBondContact O-N 3.16Å
387	G	96.4	Very high	95.6	Very high	8 Å²	8	45.9 Å²	45.9	8%	0.082	21%	0.21	C	C	.	.			trans	84.6	143.7	-172.8	0	0	0	0	0	111.8	F383	F383-G387 CarbonylContact O-C 3.59Å; F383-G387 WeakPolarHBondContact O-CA 3.46Å; F383-G387 PolarHBondContact O-N 2.81Å; F383-G387 VanDerWaalsContact O-N 3.07Å
388	R	96.7	Very high	95.8	Very high	13 Å²	13	39.5 Å²	39.5	5%	0.049	19%	0.185	C	C	.	.			trans	-75.2	120.8	176.6	-172.5	174.4	76.1	-142.3	2.1	110.2	R362 I364 D368 F383 V392 D393	R362-R388 VanDerWaalsContact CD-O 3.23Å; R362-R388 WeakPolarHBondContact CD-O 3.16Å; R362-R388 PolarHBondContact NH1-O 3.13Å; I364-R388 VanDerWaalsContact CD1-CZ 3.41Å; D368-R388 VanDerWaalsContact CG-NH1 3.34Å; D368-R388 IonicContact OD1-CZ 3.28Å; D368-R388 VanDerWaalsContact OD1-CZ 3.29Å; D368-R388 IonicContact OD1-NH1 3.67Å; D368-R388 PolarHBondContact OD1-NH1 3.01Å; D368-R388 IonicContact OD1-NH2 3.65Å; D368-R388 PolarHBondContact OD1-NH2 2.83Å; D368-R388 IonicContact OD2-CZ 3.01Å; D368-R388 IonicContact OD2-NH1 3.97Å; D368-R388 PolarHBondContact OD2-NH1 3.08Å; D368-R388 IonicContact OD2-NH2 2.98Å; F383-R388 HydrophobicContact CB-CB 4.03Å; F383-R388 HydrophobicContact CD1-CB 4.02Å; F383-R388 HydrophobicContact CD1-CG 3.97Å; F383-R388 HydrophobicContact CD2-CB 4.2Å; F383-R388 HydrophobicContact CD2-CG 3.83Å; F383-R388 HydrophobicContact CE1-CG 4.08Å; F383-R388 HydrophobicContact CE2-CG 3.93Å; F383-R388 HydrophobicContact CG-CB 3.81Å; F383-R388 HydrophobicContact CG-CG 3.86Å; F383-R388 HydrophobicContact CZ-CG 4.06Å; R388-V392 HydrophobicContact CG-CB 3.97Å; R388-V392 HydrophobicContact CG-CG1 3.99Å; R388-V392 HydrophobicContact CG-CG2 4.47Å; R388-D393 IonicContact CZ-OD1 3.71Å; R388-D393 IonicContact NE-OD1 2.66Å; R388-D393 PolarHBondContact NE-OD1 3.5Å; R388-D393 IonicContact NH2-OD1 3.97Å; R388-D393 PolarHBondContact NH2-OD1 3.47Å; R388-D393 IonicContact NH2-OD2 3.75Å
389	P	97.5	Very high	95.8	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.026	21%	0.208	C	C	.	.			trans	-69.7	155.4	-178.5	32.6	-39	0	0	0	111.4	E214 Y233 F337 F391 V392	E214-P389 WeakPolarHBondContact OE2-CA 3.18Å; Y233-P389 HydrophobicContact CD1-CG 4.48Å; Y233-P389 HydrophobicContact CD2-CB 4.1Å; Y233-P389 HydrophobicContact CD2-CG 3.78Å; Y233-P389 HydrophobicContact CE1-CG 4.21Å; Y233-P389 HydrophobicContact CE2-CB 3.95Å; Y233-P389 HydrophobicContact CE2-CG 3.47Å; Y233-P389 VanDerWaalsContact CE2-CG 3.47Å; Y233-P389 HydrophobicContact CG-CG 4.26Å; F337-P389 HydrophobicContact CE1-CB 4.11Å; P389-F391 VanDerWaalsContact C-N 3.3Å; P389-F391 HydrophobicContact CB-CD1 3.78Å; P389-F391 HydrophobicContact CB-CE1 3.85Å; P389-F391 HydrophobicContact CG-CD1 3.71Å; P389-F391 HydrophobicContact CG-CE1 3.34Å; P389-F391 HydrophobicContact CG-CZ 4.2Å; P389-F391 PolarHBondContact O-N 3.01Å; P389-V392 HydrophobicContact CG-CG2 3.79Å; P389-V392 PolarHBondContact O-N 3.48Å
390	Y	97.5	Very high	95.7	Very high	18 Å²	18	43 Å²	43	7%	0.071	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-36.7	-175.4	-93.4	-89.4	0	0	0	113.8	E131 V134 E214 R362 V392 D393 Q394	E131-Y390 WeakPolarHBondContact CA-OH 3.37Å; E131-Y390 HydrophobicContact CB-CE2 4.4Å; E131-Y390 WeakPolarHBondContact CB-OH 3.32Å; E131-Y390 HydrophobicContact CG-CE2 3.88Å; E131-Y390 WeakPolarHBondContact CG-OH 3.46Å; V134-Y390 HydrophobicContact CB-CD1 4.42Å; V134-Y390 HydrophobicContact CB-CE1 4.41Å; V134-Y390 HydrophobicContact CB-CG 4.46Å; V134-Y390 HydrophobicContact CG1-CD1 3.44Å; V134-Y390 VanDerWaalsContact CG1-CD1 3.44Å; V134-Y390 HydrophobicContact CG1-CD2 4.16Å; V134-Y390 HydrophobicContact CG1-CE1 3.79Å; V134-Y390 HydrophobicContact CG1-CE2 4.48Å; V134-Y390 HydrophobicContact CG1-CG 3.63Å; E214-Y390 PolarHBondContact OE2-N 2.89Å; R362-Y390 HydrophobicContact CG-CE2 4.38Å; R362-Y390 VanDerWaalsContact CZ-CZ 3.48Å; R362-Y390 VanDerWaalsContact NH2-CE1 3.27Å; Y390-V392 PolarHBondContact O-N 3.43Å; Y390-V392 VanDerWaalsContact O-N 3.13Å; Y390-D393 WeakPolarHBondContact O-CB 3.42Å; Y390-D393 PolarHBondContact O-N 2.99Å; Y390-Q394 PolarHBondContact O-N 3.28Å; Y390-Q394 VanDerWaalsContact O-N 3.11Å
391	F	97.7	Very high	95.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-25.2	-177.1	85.5	-92.4	0	0	0	111.9	F217 V229 K230 Y233 F337 P389 Q394 L395 C404	F217-F391 HydrophobicContact CD2-CB 4.24Å; F217-F391 HydrophobicContact CE2-CB 3.79Å; F217-F391 HydrophobicContact CE2-CD2 4.04Å; F217-F391 HydrophobicContact CE2-CG 4.37Å; F217-F391 HydrophobicContact CZ-CB 4.43Å; F217-F391 HydrophobicContact CZ-CD2 4.34Å; V229-F391 HydrophobicContact CG1-CB 4.05Å; V229-F391 HydrophobicContact CG1-CD1 3.95Å; V229-F391 HydrophobicContact CG1-CD2 3.94Å; V229-F391 HydrophobicContact CG1-CE1 4.39Å; V229-F391 HydrophobicContact CG1-CE2 4.41Å; V229-F391 HydrophobicContact CG1-CG 3.7Å; K230-F391 HydrophobicContact CG-CE2 3.72Å; K230-F391 HydrophobicContact CG-CZ 4.23Å; Y233-F391 HydrophobicContact CD1-CE1 4.13Å; Y233-F391 HydrophobicContact CD1-CZ 4.1Å; Y233-F391 HydrophobicContact CD2-CE1 4.16Å; Y233-F391 AromaticContact CG-CE1 3.72Å; Y233-F391 HydrophobicContact CG-CE1 3.72Å; Y233-F391 HydrophobicContact CG-CZ 4.09Å; F337-F391 AromaticContact CE1-CD1 3.86Å; F337-F391 HydrophobicContact CE1-CD1 3.86Å; F337-F391 HydrophobicContact CE1-CE1 4.17Å; F337-F391 AromaticContact CZ-CD1 3.48Å; F337-F391 HydrophobicContact CZ-CD1 3.48Å; F337-F391 VanDerWaalsContact CZ-CD1 3.48Å; F337-F391 AromaticContact CZ-CE1 3.79Å; F337-F391 HydrophobicContact CZ-CE1 3.79Å; F337-F391 HydrophobicContact CZ-CG 4.41Å; P389-F391 VanDerWaalsContact C-N 3.3Å; P389-F391 HydrophobicContact CB-CD1 3.78Å; P389-F391 HydrophobicContact CB-CE1 3.85Å; P389-F391 HydrophobicContact CG-CD1 3.71Å; P389-F391 HydrophobicContact CG-CE1 3.34Å; P389-F391 HydrophobicContact CG-CZ 4.2Å; P389-F391 PolarHBondContact O-N 3.01Å; F391-Q394 WeakPolarHBondContact O-CB 3.48Å; F391-Q394 PolarHBondContact O-N 2.98Å; F391-L395 HydrophobicContact CD2-CD1 3.56Å; F391-L395 HydrophobicContact CD2-CG 4.17Å; F391-L395 HydrophobicContact CE2-CD1 3.63Å; F391-L395 VanDerWaalsContact O-CG 3.26Å; F391-L395 WeakPolarHBondContact O-CG 3.46Å; F391-L395 PolarHBondContact O-N 2.88Å; F391-C404 HydrophobicContact CZ-CB 4.45Å; F391-C404 VanDerWaalsContact CZ-SG 3.51Å
392	V	97.7	Very high	95.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.4	-41	175	175	0	0	0	0	111.1	L370 F375 F383 R388 P389 Y390 Q394 L395 Y396 T402 C404	L370-V392 HydrophobicContact CD2-CG1 3.88Å; F375-V392 HydrophobicContact CE1-CG1 4.13Å; F383-V392 HydrophobicContact CE1-CG2 4.25Å; F383-V392 HydrophobicContact CE2-CG1 4.25Å; F383-V392 HydrophobicContact CZ-CG1 4.08Å; F383-V392 HydrophobicContact CZ-CG2 3.87Å; R388-V392 HydrophobicContact CG-CB 3.97Å; R388-V392 HydrophobicContact CG-CG1 3.99Å; R388-V392 HydrophobicContact CG-CG2 4.47Å; P389-V392 HydrophobicContact CG-CG2 3.79Å; P389-V392 PolarHBondContact O-N 3.48Å; Y390-V392 PolarHBondContact O-N 3.43Å; Y390-V392 VanDerWaalsContact O-N 3.13Å; V392-Q394 VanDerWaalsContact C-N 3.27Å; V392-Q394 PolarHBondContact O-N 2.9Å; V392-L395 PolarHBondContact O-N 3.37Å; V392-Y396 PolarHBondContact O-N 3.31Å; V392-T402 HydrophobicContact CG1-CG2 4.44Å; V392-C404 WeakPolarHBondContact CG2-SG 3.27Å
393	D	96.2	Very high	95.4	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.043	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-37.5	173.3	-62.6	-5.3	0	0	0	110.7	R362 R388 Y390 K397	R362-D393 IonicContact CZ-OD2 3.73Å; R362-D393 IonicContact NH1-OD1 3.79Å; R362-D393 IonicContact NH1-OD2 3.23Å; R362-D393 PolarHBondContact NH1-OD2 3.46Å; R362-D393 IonicContact NH2-OD2 2.75Å; R362-D393 PolarHBondContact NH2-OD2 2.96Å; R388-D393 IonicContact CZ-OD1 3.71Å; R388-D393 IonicContact NE-OD1 2.66Å; R388-D393 PolarHBondContact NE-OD1 3.5Å; R388-D393 IonicContact NH2-OD1 3.97Å; R388-D393 PolarHBondContact NH2-OD1 3.47Å; R388-D393 IonicContact NH2-OD2 3.75Å; Y390-D393 WeakPolarHBondContact O-CB 3.42Å; Y390-D393 PolarHBondContact O-N 2.99Å; D393-K397 VanDerWaalsContact O-CG 3.31Å; D393-K397 WeakPolarHBondContact O-CG 3.5Å; D393-K397 PolarHBondContact O-N 2.79Å; D393-K397 VanDerWaalsContact O-N 3.07Å
394	Q	97	Very high	95.2	Very high	42 Å²	42	44.2 Å²	44.2	20%	0.196	23%	0.228	C	C	.	.	H	α-helix	trans	-65.9	-46.2	176.1	-63.2	-176.5	-55.9	0	0	111.4	F217 Y390 F391 V392 Y396 K397 L398	F217-Q394 HydrophobicContact CD2-CB 4.1Å; F217-Q394 PolarHBondContact O-NE2 3.16Å; Y390-Q394 PolarHBondContact O-N 3.28Å; Y390-Q394 VanDerWaalsContact O-N 3.11Å; F391-Q394 WeakPolarHBondContact O-CB 3.48Å; F391-Q394 PolarHBondContact O-N 2.98Å; V392-Q394 VanDerWaalsContact C-N 3.27Å; V392-Q394 PolarHBondContact O-N 2.9Å; Q394-Y396 VanDerWaalsContact C-N 3.32Å; Q394-Y396 PolarHBondContact O-N 3.03Å; Q394-K397 PolarHBondContact O-N 2.98Å; Q394-L398 WeakPolarHBondContact O-CB 3.36Å; Q394-L398 VanDerWaalsContact O-CG 3.22Å; Q394-L398 WeakPolarHBondContact O-CG 3.47Å; Q394-L398 PolarHBondContact O-N 3.15Å
395	L	97	Very high	94.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-45.5	177	-70.4	172.2	0	0	0	111.2	F217 V226 K230 F391 V392 L398 G399 L400 T402	F217-L395 HydrophobicContact CE2-CD2 3.84Å; F217-L395 HydrophobicContact CE2-CG 4.03Å; F217-L395 HydrophobicContact CZ-CD2 4.39Å; V226-L395 HydrophobicContact CG1-CD2 3.84Å; V226-L395 HydrophobicContact CG2-CD2 4.09Å; K230-L395 VanDerWaalsContact CE-CD1 3.41Å; F391-L395 HydrophobicContact CD2-CD1 3.56Å; F391-L395 HydrophobicContact CD2-CG 4.17Å; F391-L395 HydrophobicContact CE2-CD1 3.63Å; F391-L395 VanDerWaalsContact O-CG 3.26Å; F391-L395 WeakPolarHBondContact O-CG 3.46Å; F391-L395 PolarHBondContact O-N 2.88Å; V392-L395 PolarHBondContact O-N 3.37Å; L395-L398 CarbonylContact O-C 3.27Å; L395-L398 PolarHBondContact O-N 3.16Å; L395-G399 PolarHBondContact O-N 3.24Å; L395-G399 VanDerWaalsContact O-N 3.15Å; L395-L400 HydrophobicContact CB-CB 4.26Å; L395-L400 HydrophobicContact CD2-CB 3.78Å; L395-L400 HydrophobicContact CD2-CD1 3.76Å; L395-L400 HydrophobicContact CD2-CG 4.43Å; L395-L400 PolarHBondContact O-N 3.04Å; L395-T402 HydrophobicContact CB-CG2 4.13Å
396	Y	95.7	Very high	93.4	Very high	105 Å²	105	37.6 Å²	37.6	41%	0.412	20%	0.204	S	C	.	.	H	α-helix	trans	-59.9	-48.4	176.7	179.2	-106.1	0	0	0	112.3	P369 L370 C373 V392 Q394 L398 G399	P369-Y396 WeakPolarHBondContact O-CE1 3.42Å; L370-Y396 HydrophobicContact CD1-CD1 3.48Å; L370-Y396 VanDerWaalsContact CD1-CD1 3.48Å; L370-Y396 HydrophobicContact CD1-CE1 4.18Å; L370-Y396 HydrophobicContact CD1-CG 3.67Å; L370-Y396 HydrophobicContact CD2-CD2 4.42Å; L370-Y396 HydrophobicContact CD2-CG 4.1Å; L370-Y396 HydrophobicContact CG-CD1 3.82Å; L370-Y396 HydrophobicContact CG-CD2 4.02Å; L370-Y396 HydrophobicContact CG-CE1 4.32Å; L370-Y396 HydrophobicContact CG-CG 3.64Å; C373-Y396 VanDerWaalsContact SG-CE2 3.57Å; V392-Y396 PolarHBondContact O-N 3.31Å; Q394-Y396 VanDerWaalsContact C-N 3.32Å; Q394-Y396 PolarHBondContact O-N 3.03Å; Y396-L398 PolarHBondContact O-N 3.08Å; Y396-G399 PolarHBondContact O-N 3.38Å
397	K	94.9	Very high	91.5	Very high	158 Å²	158	41.9 Å²	41.9	69%	0.687	23%	0.227	S	C	*	.	H	α-helix	trans	-61.2	-30.6	177.6	-73.8	173	-176.7	174.8	0	112.9	D393 Q394 G399	D393-K397 VanDerWaalsContact O-CG 3.31Å; D393-K397 WeakPolarHBondContact O-CG 3.5Å; D393-K397 PolarHBondContact O-N 2.79Å; D393-K397 VanDerWaalsContact O-N 3.07Å; Q394-K397 PolarHBondContact O-N 2.98Å; K397-G399 VanDerWaalsContact C-N 3.32Å
398	L	95.5	Very high	89.5	Confident	59 Å²	59	50.1 Å²	50.1	31%	0.309	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-0.4	177.8	-65.3	172.1	0	0	0	113.2	P221 Q394 L395 Y396 L400	P221-L398 HydrophobicContact CG-CD1 4.26Å; Q394-L398 WeakPolarHBondContact O-CB 3.36Å; Q394-L398 VanDerWaalsContact O-CG 3.22Å; Q394-L398 WeakPolarHBondContact O-CG 3.47Å; Q394-L398 PolarHBondContact O-N 3.15Å; L395-L398 CarbonylContact O-C 3.27Å; L395-L398 PolarHBondContact O-N 3.16Å; Y396-L398 PolarHBondContact O-N 3.08Å; L398-L400 HydrophobicContact CB-CD1 3.94Å; L398-L400 HydrophobicContact CB-CG 3.9Å; L398-L400 HydrophobicContact CD1-CD1 4.13Å; L398-L400 PolarHBondContact O-N 3.36Å
399	G	94	Very high	86.8	Confident	70 Å²	70	56 Å²	56	72%	0.722	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	23.6	-176.2	0	0	0	0	0	113.6	L395 Y396 K397	L395-G399 PolarHBondContact O-N 3.24Å; L395-G399 VanDerWaalsContact O-N 3.15Å; Y396-G399 PolarHBondContact O-N 3.38Å; K397-G399 VanDerWaalsContact C-N 3.32Å
400	L	94.1	Very high	84.3	Confident	52 Å²	52	61.6 Å²	61.6	27%	0.272	33%	0.327	S	S	.	.			trans	-93.8	159.7	179	-61.3	176.5	0	0	0	110.8	P221 V226 L395 L398 T402	P221-L400 HydrophobicContact CG-CD1 4.31Å; V226-L400 HydrophobicContact CG2-CD1 4.31Å; L395-L400 HydrophobicContact CB-CB 4.26Å; L395-L400 HydrophobicContact CD2-CB 3.78Å; L395-L400 HydrophobicContact CD2-CD1 3.76Å; L395-L400 HydrophobicContact CD2-CG 4.43Å; L395-L400 PolarHBondContact O-N 3.04Å; L398-L400 HydrophobicContact CB-CD1 3.94Å; L398-L400 HydrophobicContact CB-CG 3.9Å; L398-L400 HydrophobicContact CD1-CD1 4.13Å; L398-L400 PolarHBondContact O-N 3.36Å; L400-T402 PolarHBondContact O-N 3.48Å
401	N	92.4	Very high	81.1	Confident	96 Å²	96	64.8 Å²	64.8	51%	0.513	35%	0.352	S	S	.	.			trans	-59.6	124.5	176.6	-179.6	-19.4	0	0	0	110.1	K230 D403	K230-N401 WeakPolarHBondContact CE-O 3.08Å; K230-N401 PolarHBondContact NZ-O 2.8Å; N401-D403 VanDerWaalsContact OD1-CB 3.23Å; N401-D403 WeakPolarHBondContact OD1-CB 3.4Å; N401-D403 PolarHBondContact OD1-N 3.45Å; N401-D403 PolarHBondContact OD1-OD2 3.41Å
402	T	93.5	Very high	77.9	Confident	27 Å²	27	74 Å²	74	17%	0.166	39%	0.392	C	S	.	.			trans	-90.4	-7.7	-179.2	50.7	0	0	0	0	114.8	V392 L395 L400 C404	V392-T402 HydrophobicContact CG1-CG2 4.44Å; L395-T402 HydrophobicContact CB-CG2 4.13Å; L400-T402 PolarHBondContact O-N 3.48Å; T402-C404 PolarHBondContact O-N 3.11Å; T402-C404 PolarHBondContact O-SG 2.86Å
403	D	91.4	Very high	74.8	Confident	49 Å²	49	85.6 Å²	85.6	26%	0.262	45%	0.454	S	S	.	.			trans	-62.2	123.3	176.5	-69.3	-41.1	0	0	0	110.4	K230 N376 D379 N401 V406	K230-D403 WeakPolarHBondContact CD-O 3.45Å; K230-D403 WeakPolarHBondContact CE-O 3.34Å; K230-D403 PolarHBondContact NZ-O 2.92Å; N376-D403 PolarHBondContact ND2-OD1 2.91Å; D379-D403 WeakPolarHBondContact OD2-CA 3.49Å; N401-D403 VanDerWaalsContact OD1-CB 3.23Å; N401-D403 WeakPolarHBondContact OD1-CB 3.4Å; N401-D403 PolarHBondContact OD1-N 3.45Å; N401-D403 PolarHBondContact OD1-OD2 3.41Å; D403-V406 HydrophobicContact CB-CB 4.24Å; D403-V406 HydrophobicContact CB-CG2 3.82Å
404	C	89.6	Confident	73.7	Confident	3 Å²	3	89.5 Å²	89.5	2%	0.02	48%	0.475	C	S	.	.	S	Bend	trans	-99	-44.1	-177.9	-62.1	0	0	0	0	111.3	Y233 K234 D379 F391 V392 T402	Y233-C404 HydrophobicContact CD1-CB 3.85Å; Y233-C404 HydrophobicContact CE1-CB 3.94Å; K234-C404 WeakPolarHBondContact CE-O 3.32Å; K234-C404 PolarHBondContact NZ-O 3.13Å; D379-C404 WeakPolarHBondContact OD1-CB 3.48Å; D379-C404 PolarHBondContact OD2-N 3.24Å; F391-C404 HydrophobicContact CZ-CB 4.45Å; F391-C404 VanDerWaalsContact CZ-SG 3.51Å; V392-C404 WeakPolarHBondContact CG2-SG 3.27Å; T402-C404 PolarHBondContact O-N 3.11Å; T402-C404 PolarHBondContact O-SG 2.86Å
405	T	79.3	Confident	72.5	Confident	2 Å²	2	92 Å²	92	1%	0.012	49%	0.489	C	S	.	.	S	Bend	trans	-96.7	-16.5	-169.3	55.1	0	0	0	0	115.1	K234 V237 N376 E378 D379 H382 L407	K234-T405 VanDerWaalsContact NZ-C 3.25Å; K234-T405 PolarHBondContact NZ-O 2.71Å; V237-T405 HydrophobicContact CG2-CG2 4.31Å; N376-T405 PolarHBondContact OD1-OG1 2.78Å; E378-T405 VanDerWaalsContact CD-CB 3.48Å; E378-T405 HydrophobicContact CG-CG2 4.15Å; E378-T405 WeakPolarHBondContact OE1-CB 3.48Å; E378-T405 VanDerWaalsContact OE1-CG2 3.28Å; E378-T405 WeakPolarHBondContact OE1-CG2 3.35Å; D379-T405 WeakPolarHBondContact OD1-CB 3.48Å; D379-T405 WeakPolarHBondContact OD1-CG2 3.46Å; D379-T405 PolarHBondContact OD1-N 2.8Å; D379-T405 PolarHBondContact OD1-OG1 2.91Å; H382-T405 WeakPolarHBondContact ND1-CG2 3.4Å; T405-L407 PolarHBondContact O-N 3.01Å; T405-L407 VanDerWaalsContact O-N 3.12Å
406	V	70.4	Confident	71.2	Confident	73 Å²	73	97.1 Å²	97.1	44%	0.442	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-56.2	121.4	177.1	-177.4	0	0	0	0	109.6	K234 N376 D403 K408	K234-V406 PolarHBondContact NZ-O 3.48Å; K234-V406 VanDerWaalsContact NZ-O 3.11Å; N376-V406 HydrophobicContact CB-CG2 4.29Å; N376-V406 WeakPolarHBondContact ND2-CG2 3.49Å; D403-V406 HydrophobicContact CB-CB 4.24Å; D403-V406 HydrophobicContact CB-CG2 3.82Å; V406-K408 PolarHBondContact O-N 3.43Å
407	L	57.7	Low	69.7	Low	93 Å²	93	96.6 Å²	96.6	49%	0.487	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-73.1	116.6	164	-69.6	166.3	0	0	0	105.3	T405 D409	T405-L407 PolarHBondContact O-N 3.01Å; T405-L407 VanDerWaalsContact O-N 3.12Å; L407-D409 PolarHBondContact O-N 3.17Å
408	K	52.8	Low	68.1	Low	180 Å²	180	92.8 Å²	92.8	78%	0.783	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-58	118.2	152.9	-87.9	-174.5	176.6	178	0	104.4	V406 V410	V406-K408 PolarHBondContact O-N 3.43Å; K408-V410 PolarHBondContact O-N 3.11Å
409	D	41.5	Very low	66.3	Low	136 Å²	136	95.1 Å²	95.1	73%	0.727	53%	0.526	S	S	*	.			trans	-48	112.4	168.1	-89.4	-32.3	0	0	0	106.9	L407 S411	L407-D409 PolarHBondContact O-N 3.17Å; D409-S411 PolarHBondContact O-N 3.48Å
410	V	43.4	Very low	64.3	Low	122 Å²	122	96.9 Å²	96.9	74%	0.739	51%	0.512	S	S	*	.			trans	-70.2	5.7	176.9	-167.5	0	0	0	0	109.9	K408 K412	K408-V410 PolarHBondContact O-N 3.11Å; V410-K412 PolarHBondContact O-N 2.83Å
411	S	31.7	Very low	62.1	Low	85 Å²	85	100.3 Å²	100.3	59%	0.594	53%	0.53	S	S	*	.			trans	-77	70.4	170.4	61.4	0	0	0	0	111.2	D409	D409-S411 PolarHBondContact O-N 3.48Å
412	K	29.8	Very low	59.5	Low	194 Å²	194	100.7 Å²	100.7	84%	0.843	53%	0.532	S	S	*	.			trans	173	82.7	153	-95.4	158	-167.8	-173.9	0	109.2	V410	V410-K412 PolarHBondContact O-N 2.83Å
413	N	33.2	Very low	56.4	Low	244 Å²	244	107.4 Å²	107.4	100%	1.305	57%	0.565	S	S	*	*			trans	-170.4	0	136.8	-90.1	-15.4	0	0	0	109.7

Retrieved 413 of 413 residues in 570.5 ms (Link to these results)

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