A0A061IE87_CRIGR Loading...

Carboxypeptidase N catalytic chain

Protects the body from potent vasoactive and inflammatory peptides containing C-terminal Arg or Lys (such as kinins or anaphylatoxins) which are released into the circulation.

AlphaFold DB , UniProt , Accession A0A061IE87, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 454 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.8	Very low	41.6	Very low	244 Å²	244	146.2 Å²	146.2	100%	1.202	83%	0.825	S	S	*	*				0	101.7	0	-70.4	-173.9	-173.3	0	0	106.5
2	P	47.4	Very low	41.5	Very low	113 Å²	113	146.9 Å²	146.9	73%	0.734	82%	0.824	S	S	*	*			trans	-99.6	142.2	-170.5	35	-26.9	0	0	0	113
3	D	38.7	Very low	41.5	Very low	155 Å²	155	146.8 Å²	146.8	83%	0.829	82%	0.819	S	S	*	*			trans	53	120.1	133.3	-53.9	-30.1	0	0	0	122.1
4	I	46.8	Very low	41.4	Very low	170 Å²	170	148.1 Å²	148.1	87%	0.872	82%	0.822	S	S	*	*			trans	-75.5	134.8	168.2	-59.9	164.5	0	0	0	109.7
5	P	45.9	Very low	41.3	Very low	115 Å²	115	144.5 Å²	144.5	75%	0.747	81%	0.812	S	S	*	*			trans	-111.8	119.7	160.4	29.3	-14.8	0	0	0	112.7
6	S	38.2	Very low	41.4	Very low	97 Å²	97	148.8 Å²	148.8	68%	0.678	81%	0.811	S	S	*	*				31.7	113.9	129.5	-144.1	0	0	0	0	118.9	F8	S6-F8 PolarHBondContact O-N 3.17Å
7	A	39	Very low	41.3	Very low	100 Å²	100	149.9 Å²	149.9	83%	0.826	82%	0.815	S	S	*	*			trans	-67.9	110.9	167.8	0	0	0	0	0	111
8	F	38.5	Very low	41.6	Very low	192 Å²	192	148.3 Å²	148.3	84%	0.842	81%	0.81	S	S	*	*			trans	-85.4	108.4	161.9	-88.6	-90.6	0	0	0	109	S6	S6-F8 PolarHBondContact O-N 3.17Å
9	L	39.5	Very low	41.8	Very low	160 Å²	160	144.6 Å²	144.6	84%	0.838	80%	0.802	S	S	*	*			trans	-76.9	121.5	163.8	-130.4	82.8	0	0	0	107.8	L11	L9-L11 PolarHBondContact O-N 3.38Å
10	P	40.3	Very low	42.3	Very low	107 Å²	107	142.8 Å²	142.8	70%	0.695	80%	0.797	S	S	*	*			trans	-76.5	115.2	169.8	24	-18.3	0	0	0	108.6	L12	P10-L12 VanDerWaalsContact C-N 3.31Å; P10-L12 PolarHBondContact O-N 3.1Å
11	L	41.3	Very low	43.1	Very low	155 Å²	155	139 Å²	139	81%	0.812	78%	0.778	S	S	*	*			trans	-61.9	94	166.3	-164	81.6	0	0	0	107.7	L9 L13	L9-L11 PolarHBondContact O-N 3.38Å; L11-L13 VanDerWaalsContact C-N 3.26Å; L11-L13 PolarHBondContact O-N 2.89Å
12	L	40.5	Very low	44.6	Very low	155 Å²	155	131.2 Å²	131.2	81%	0.812	74%	0.743	S	S	*	*			trans	-64.9	90.1	168.9	-91.8	150.3	0	0	0	108.1	P10 L14	P10-L12 VanDerWaalsContact C-N 3.31Å; P10-L12 PolarHBondContact O-N 3.1Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 2.85Å
13	L	42.2	Very low	46.7	Very low	145 Å²	145	127.3 Å²	127.3	76%	0.759	72%	0.715	S	S	*	*			trans	-58.6	97.8	158.9	-91.6	143.2	0	0	0	107.1	L11 S15	L11-L13 VanDerWaalsContact C-N 3.26Å; L11-L13 PolarHBondContact O-N 2.89Å; L13-S15 PolarHBondContact O-N 2.83Å
14	L	39.9	Very low	49.3	Very low	165 Å²	165	123.2 Å²	123.2	86%	0.864	69%	0.688	S	S	*	*			trans	-63	80.1	159.8	-86.3	149.8	0	0	0	107.2	L12 R16	L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 2.85Å; L14-R16 VanDerWaalsContact C-N 3.35Å; L14-R16 PolarHBondContact O-N 3.06Å
15	S	39.4	Very low	51.7	Low	95 Å²	95	116.7 Å²	116.7	66%	0.664	65%	0.654	S	S	*	*			trans	-60	106.9	156.9	49	0	0	0	0	105.6	L13 L17	L13-S15 PolarHBondContact O-N 2.83Å; S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 2.84Å
16	R	43.1	Very low	54.2	Low	212 Å²	212	111.4 Å²	111.4	80%	0.8	62%	0.619	S	S	*	*			trans	-57.2	105.5	163.1	-76.1	-174.4	175.7	-173.9	0.3	105.1	L14 V18	L14-R16 VanDerWaalsContact C-N 3.35Å; L14-R16 PolarHBondContact O-N 3.06Å; R16-V18 PolarHBondContact O-N 3.43Å
17	L	39.3	Very low	57	Low	168 Å²	168	112.5 Å²	112.5	88%	0.88	61%	0.608	S	S	*	*			trans	-57.8	94.3	163.7	-87.4	148.7	0	0	0	105.8	S15 A19	S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 2.84Å; L17-A19 PolarHBondContact O-N 2.94Å
18	V	46.5	Very low	59.9	Low	121 Å²	121	109 Å²	109	73%	0.733	57%	0.574	S	S	*	*			trans	-62.8	107.1	165.3	179.8	0	0	0	0	103.9	R16	R16-V18 PolarHBondContact O-N 3.43Å
19	A	46.9	Very low	62.7	Low	79 Å²	79	105.2 Å²	105.2	65%	0.653	56%	0.562	S	S	*	*			trans	-53.2	129.3	171.6	0	0	0	0	0	107	L17 V21	L17-A19 PolarHBondContact O-N 2.94Å; A19-V21 PolarHBondContact O-N 3.01Å
20	P	51.1	Low	65.5	Low	108 Å²	108	99.2 Å²	99.2	70%	0.701	53%	0.531	S	S	*	.			trans	-56.8	133.4	-179.3	21.2	-30.6	0	0	0	109.2	T22	P20-T22 WeakPolarHBondContact O-CG2 3.18Å; P20-T22 PolarHBondContact O-N 2.9Å
21	V	59.6	Low	68.3	Low	64 Å²	64	94.4 Å²	94.4	39%	0.388	50%	0.499	S	S	.	.			trans	-56	110.9	172.5	177.9	0	0	0	0	107.5	A19 F23	A19-V21 PolarHBondContact O-N 3.01Å; V21-F23 HydrophobicContact CB-CE2 4.16Å; V21-F23 HydrophobicContact CG1-CD2 4.24Å; V21-F23 HydrophobicContact CG1-CE1 4.44Å; V21-F23 HydrophobicContact CG1-CE2 3.65Å; V21-F23 HydrophobicContact CG1-CZ 3.76Å; V21-F23 PolarHBondContact O-N 2.93Å
22	T	73.2	Confident	71	Confident	79 Å²	79	88 Å²	88	49%	0.485	47%	0.467	S	S	.	.			trans	-88.3	101.6	-176.7	52.9	0	0	0	0	110	P20 R24	P20-T22 WeakPolarHBondContact O-CG2 3.18Å; P20-T22 PolarHBondContact O-N 2.9Å; T22-R24 PolarHBondContact O-N 3.23Å
23	F	90.5	Very high	73.8	Confident	31 Å²	31	88.4 Å²	88.4	14%	0.136	46%	0.458	C	S	.	.			trans	-74.5	111.6	168.5	-67	-82.9	0	0	0	109.7	V21 Q98 Q314 L317 Q318 W321	V21-F23 HydrophobicContact CB-CE2 4.16Å; V21-F23 HydrophobicContact CG1-CD2 4.24Å; V21-F23 HydrophobicContact CG1-CE1 4.44Å; V21-F23 HydrophobicContact CG1-CE2 3.65Å; V21-F23 HydrophobicContact CG1-CZ 3.76Å; V21-F23 PolarHBondContact O-N 2.93Å; F23-Q98 HydrophobicContact CD1-CG 4.33Å; F23-Q98 HydrophobicContact CE1-CG 4.01Å; F23-Q314 WeakPolarHBondContact O-CG 3.26Å; F23-Q314 PolarHBondContact O-NE2 3.37Å; F23-Q314 VanDerWaalsContact O-NE2 3.12Å; F23-L317 HydrophobicContact CB-CB 4.07Å; F23-L317 HydrophobicContact CD1-CB 4.25Å; F23-Q318 HydrophobicContact CB-CB 4.4Å; F23-Q318 HydrophobicContact CD1-CB 4.14Å; F23-Q318 HydrophobicContact CD2-CB 3.62Å; F23-Q318 HydrophobicContact CD2-CG 3.81Å; F23-Q318 HydrophobicContact CE1-CB 4.37Å; F23-Q318 HydrophobicContact CE2-CB 3.88Å; F23-Q318 HydrophobicContact CE2-CG 3.57Å; F23-Q318 HydrophobicContact CG-CB 3.77Å; F23-Q318 HydrophobicContact CG-CG 4.4Å; F23-Q318 HydrophobicContact CZ-CB 4.25Å; F23-Q318 HydrophobicContact CZ-CG 3.98Å; F23-W321 HydrophobicContact CD1-CB 4.47Å; F23-W321 HydrophobicContact CE1-CB 3.59Å; F23-W321 AromaticContact CE1-CD1 3.74Å; F23-W321 AromaticContact CE1-CG 3.77Å; F23-W321 HydrophobicContact CE1-CG 3.77Å; F23-W321 HydrophobicContact CZ-CB 4.26Å; F23-W321 AromaticContact CZ-CD1 3.59Å; F23-W321 HydrophobicContact CZ-CG 4.1Å
24	R	94	Very high	76.5	Confident	70 Å²	70	82 Å²	82	26%	0.264	42%	0.424	S	S	.	.			trans	-156.6	163.6	179.1	67.8	-176.2	-174.7	95.4	-7.3	110.5	T22 H26 D30 Q314	T22-R24 PolarHBondContact O-N 3.23Å; R24-H26 PolarHBondContact O-CE1 3.35Å; R24-H26 PolarHBondContact O-ND1 3.42Å; R24-H26 VanDerWaalsContact O-ND1 3.09Å; R24-D30 IonicContact CZ-OD2 3.65Å; R24-D30 IonicContact NH1-OD2 2.77Å; R24-D30 PolarHBondContact NH1-OD2 3.43Å; R24-D30 IonicContact NH2-OD1 2.69Å; R24-D30 IonicContact NH2-OD2 3.61Å; R24-Q314 HydrophobicContact CB-CG 4.38Å
25	H	96.9	Very high	79.3	Confident	32 Å²	32	74.2 Å²	74.2	15%	0.148	38%	0.384	C	S	.	.			trans	-76.3	132.4	169.3	-59.3	-60.8	0	0	0	110.8	E94 F311 P312 Q314	H25-E94 WeakPolarHBondContact CA-OE1 3.44Å; H25-F311 AromaticContact CD2-CE2 3.79Å; H25-F311 AromaticContact CE1-CD2 3.89Å; H25-F311 AromaticContact CE1-CE2 3.56Å; H25-F311 AromaticContact CG-CE2 3.76Å; H25-F311 AromaticContact ND1-CE2 3.62Å; H25-F311 AromaticContact NE2-CE2 3.67Å; H25-P312 PolarHBondContact CE1-O 3.05Å; H25-P312 PolarHBondContact NE2-O 3.23Å; H25-P312 VanDerWaalsContact NE2-O 3.07Å; H25-Q314 PolarHBondContact NE2-N 2.64Å
26	H	97.8	Very high	82.1	Confident	4 Å²	4	74.6 Å²	74.6	2%	0.019	37%	0.371	C	S	.	.			trans	-104	108.1	179.6	-64.1	81.8	0	0	0	110	R24 D30 L31 T34 R93 E94 L97 Y134	R24-H26 PolarHBondContact O-CE1 3.35Å; R24-H26 PolarHBondContact O-ND1 3.42Å; R24-H26 VanDerWaalsContact O-ND1 3.09Å; H26-D30 HydrophobicContact CB-CB 4.03Å; H26-L31 HydrophobicContact CB-CB 4.29Å; H26-T34 PolarHBondContact CD2-OG1 3.03Å; H26-R93 VanDerWaalsContact O-CZ 3.22Å; H26-R93 PolarHBondContact O-NE 2.68Å; H26-R93 PolarHBondContact O-NH2 2.95Å; H26-E94 IonicContact CE1-OE2 3.57Å; H26-E94 IonicContact CG-OE2 3.86Å; H26-E94 PolarHBondContact N-OE1 3.22Å; H26-E94 PolarHBondContact N-OE2 3.19Å; H26-E94 IonicContact ND1-OE2 2.77Å; H26-E94 PolarHBondContact ND1-OE2 2.79Å; H26-L97 HydrophobicContact CB-CD1 3.72Å; H26-Y134 PolarHBondContact O-OH 2.95Å; H26-Y134 VanDerWaalsContact O-OH 3.13Å
27	R	97.9	Very high	84.7	Confident	121 Å²	121	68.9 Å²	68.9	46%	0.457	35%	0.352	S	S	.	.			trans	-61.9	168.3	164.4	-69.2	-164.4	179.2	-172.6	0.2	111.6	D29 D30 L31 Y134 E135 A138	R27-D29 VanDerWaalsContact C-N 3.34Å; R27-D29 PolarHBondContact O-N 3.01Å; R27-D30 CarbonylContact O-C 3.59Å; R27-D30 WeakPolarHBondContact O-CA 3.35Å; R27-D30 WeakPolarHBondContact O-CB 3.47Å; R27-D30 PolarHBondContact O-N 3.09Å; R27-L31 PolarHBondContact O-N 3.08Å; R27-Y134 HydrophobicContact CG-CE1 4.23Å; R27-E135 WeakPolarHBondContact CA-OE1 3.39Å; R27-A138 PolarHBondContact NH2-O 3.5Å
28	Y	98.8	Very high	87.5	Confident	27 Å²	27	60.9 Å²	60.9	11%	0.106	31%	0.31	C	S	.	.	H	α-helix	trans	-49.4	-51.8	-171.5	-175.6	-104.7	0	0	0	113.2	D30 L31 V32 R58 Y59 Y61 P131 E135	Y28-D30 VanDerWaalsContact C-N 3.29Å; Y28-D30 PolarHBondContact O-N 2.84Å; Y28-L31 WeakPolarHBondContact O-CB 3.36Å; Y28-L31 PolarHBondContact O-N 2.93Å; Y28-V32 HydrophobicContact CD1-CG2 4.37Å; Y28-V32 HydrophobicContact CE1-CG2 3.95Å; Y28-V32 HydrophobicContact CE2-CG2 4.14Å; Y28-V32 WeakPolarHBondContact O-CG2 3.42Å; Y28-V32 PolarHBondContact O-N 3.38Å; Y28-R58 HydrophobicContact CD1-CG 4.16Å; Y28-R58 HydrophobicContact CD2-CB 4.15Å; Y28-R58 HydrophobicContact CD2-CG 4.26Å; Y28-R58 HydrophobicContact CE1-CB 4.13Å; Y28-R58 HydrophobicContact CE1-CG 4.09Å; Y28-R58 HydrophobicContact CE2-CB 3.68Å; Y28-R58 HydrophobicContact CE2-CG 4.22Å; Y28-R58 HydrophobicContact CG-CG 4.23Å; Y28-Y59 WeakPolarHBondContact CE2-O 3.45Å; Y28-Y59 WeakPolarHBondContact OH-CA 3.35Å; Y28-Y59 WeakPolarHBondContact OH-CB 3.27Å; Y28-Y59 PolarHBondContact OH-N 2.93Å; Y28-Y59 PolarHBondContact OH-O 2.81Å; Y28-Y59 VanDerWaalsContact OH-O 3.06Å; Y28-Y61 WeakPolarHBondContact OH-CE2 3.41Å; Y28-P131 HydrophobicContact CD2-CB 3.86Å; Y28-P131 HydrophobicContact CE2-CB 4.13Å; Y28-E135 WeakPolarHBondContact CB-OE1 3.46Å; Y28-E135 PolarHBondContact N-OE1 3.26Å
29	D	98.4	Very high	90	Very high	111 Å²	111	57.4 Å²	57.4	59%	0.594	29%	0.286	S	S	*	.	H	α-helix	trans	-64.2	-35.6	-179.2	-62.3	-12.7	0	0	0	112.4	R27 R33	R27-D29 VanDerWaalsContact C-N 3.34Å; R27-D29 PolarHBondContact O-N 3.01Å; D29-R33 WeakPolarHBondContact O-CB 3.46Å; D29-R33 VanDerWaalsContact O-CG 3.28Å; D29-R33 WeakPolarHBondContact O-CG 3.42Å; D29-R33 PolarHBondContact O-N 2.82Å; D29-R33 PolarHBondContact O-NE 2.96Å
30	D	98.1	Very high	92.5	Very high	34 Å²	34	59.1 Å²	59.1	18%	0.182	28%	0.284	C	S	.	.	H	α-helix	trans	-69.7	-41.5	175.4	-77.1	-28.2	0	0	0	112.3	R24 H26 R27 Y28 V32 R33 T34	R24-D30 IonicContact CZ-OD2 3.65Å; R24-D30 IonicContact NH1-OD2 2.77Å; R24-D30 PolarHBondContact NH1-OD2 3.43Å; R24-D30 IonicContact NH2-OD1 2.69Å; R24-D30 IonicContact NH2-OD2 3.61Å; H26-D30 HydrophobicContact CB-CB 4.03Å; R27-D30 CarbonylContact O-C 3.59Å; R27-D30 WeakPolarHBondContact O-CA 3.35Å; R27-D30 WeakPolarHBondContact O-CB 3.47Å; R27-D30 PolarHBondContact O-N 3.09Å; Y28-D30 VanDerWaalsContact C-N 3.29Å; Y28-D30 PolarHBondContact O-N 2.84Å; D30-V32 VanDerWaalsContact C-N 3.32Å; D30-V32 PolarHBondContact O-N 3.05Å; D30-R33 PolarHBondContact O-N 2.77Å; D30-R33 IonicContact OD1-CZ 2.78Å; D30-R33 IonicContact OD1-NE 3.13Å; D30-R33 PolarHBondContact OD1-NE 2.8Å; D30-R33 IonicContact OD1-NH2 3.46Å; D30-R33 PolarHBondContact OD1-NH2 3.38Å; D30-T34 WeakPolarHBondContact O-CB 3.25Å; D30-T34 PolarHBondContact O-N 3.42Å; D30-T34 PolarHBondContact O-OG1 3.45Å; D30-T34 VanDerWaalsContact O-OG1 3.05Å
31	L	98.6	Very high	94.7	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-57.7	-49	173.8	172	157.4	0	0	0	109.8	H26 R27 Y28 R33 T34 L35 R93 L97 P127	H26-L31 HydrophobicContact CB-CB 4.29Å; R27-L31 PolarHBondContact O-N 3.08Å; Y28-L31 WeakPolarHBondContact O-CB 3.36Å; Y28-L31 PolarHBondContact O-N 2.93Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 2.91Å; L31-T34 PolarHBondContact O-N 2.93Å; L31-L35 HydrophobicContact CD2-CD1 3.69Å; L31-L35 HydrophobicContact CD2-CG 4.24Å; L31-L35 WeakPolarHBondContact O-CG 3.46Å; L31-L35 PolarHBondContact O-N 2.91Å; L31-R93 HydrophobicContact CD1-CG 4.21Å; L31-R93 VanDerWaalsContact CD1-NH2 3.27Å; L31-L97 HydrophobicContact CB-CD1 4.29Å; L31-L97 HydrophobicContact CD1-CD1 4.39Å; L31-L97 HydrophobicContact CG-CD1 4.2Å; L31-L97 HydrophobicContact CG-CD2 4.03Å; L31-P127 HydrophobicContact CD1-CB 4.06Å
32	V	98.8	Very high	96.6	Very high	22 Å²	22	54.7 Å²	54.7	13%	0.133	25%	0.251	C	S	.	.	H	α-helix	trans	-60.8	-45.9	179.5	175.9	0	0	0	0	110.3	Y28 D30 T34 L35 Y36 Y61	Y28-V32 HydrophobicContact CD1-CG2 4.37Å; Y28-V32 HydrophobicContact CE1-CG2 3.95Å; Y28-V32 HydrophobicContact CE2-CG2 4.14Å; Y28-V32 WeakPolarHBondContact O-CG2 3.42Å; Y28-V32 PolarHBondContact O-N 3.38Å; D30-V32 VanDerWaalsContact C-N 3.32Å; D30-V32 PolarHBondContact O-N 3.05Å; V32-T34 VanDerWaalsContact C-N 3.33Å; V32-T34 PolarHBondContact O-N 3.16Å; V32-L35 PolarHBondContact O-N 3.05Å; V32-Y36 HydrophobicContact CG1-CD2 3.7Å; V32-Y36 HydrophobicContact CG1-CE2 3.7Å; V32-Y36 WeakPolarHBondContact O-CD2 3.32Å; V32-Y36 PolarHBondContact O-N 2.91Å; V32-Y61 HydrophobicContact CB-CE2 4.39Å; V32-Y61 HydrophobicContact CG1-CE2 3.99Å; V32-Y61 HydrophobicContact CG2-CD2 3.71Å; V32-Y61 HydrophobicContact CG2-CE2 3.48Å; V32-Y61 VanDerWaalsContact CG2-CE2 3.48Å
33	R	98.6	Very high	97.7	Very high	163 Å²	163	54 Å²	54	62%	0.615	25%	0.247	S	C	*	.	H	α-helix	trans	-59	-41.3	175.3	-76.8	-173.5	-74.8	-156.9	-1.1	112.5	D29 D30 L31 K37	D29-R33 WeakPolarHBondContact O-CB 3.46Å; D29-R33 VanDerWaalsContact O-CG 3.28Å; D29-R33 WeakPolarHBondContact O-CG 3.42Å; D29-R33 PolarHBondContact O-N 2.82Å; D29-R33 PolarHBondContact O-NE 2.96Å; D30-R33 PolarHBondContact O-N 2.77Å; D30-R33 IonicContact OD1-CZ 2.78Å; D30-R33 IonicContact OD1-NE 3.13Å; D30-R33 PolarHBondContact OD1-NE 2.8Å; D30-R33 IonicContact OD1-NH2 3.46Å; D30-R33 PolarHBondContact OD1-NH2 3.38Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 2.91Å; R33-K37 VanDerWaalsContact O-CB 3.28Å; R33-K37 WeakPolarHBondContact O-CB 3.26Å; R33-K37 PolarHBondContact O-N 2.87Å
34	T	98.4	Very high	98.1	Very high	10 Å²	10	58.8 Å²	58.8	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-44.2	176.9	-63	0	0	0	0	111.4	H26 D30 L31 V32 Y36 K37 V38 L97 E101	H26-T34 PolarHBondContact CD2-OG1 3.03Å; D30-T34 WeakPolarHBondContact O-CB 3.25Å; D30-T34 PolarHBondContact O-N 3.42Å; D30-T34 PolarHBondContact O-OG1 3.45Å; D30-T34 VanDerWaalsContact O-OG1 3.05Å; L31-T34 PolarHBondContact O-N 2.93Å; V32-T34 VanDerWaalsContact C-N 3.33Å; V32-T34 PolarHBondContact O-N 3.16Å; T34-Y36 PolarHBondContact O-N 3.28Å; T34-K37 WeakPolarHBondContact O-CB 3.49Å; T34-K37 PolarHBondContact O-N 3.5Å; T34-V38 WeakPolarHBondContact O-CG2 3.33Å; T34-V38 PolarHBondContact O-N 2.88Å; T34-L97 HydrophobicContact CG2-CB 4.45Å; T34-L97 HydrophobicContact CG2-CD2 4.31Å; T34-E101 HydrophobicContact CG2-CG 4.44Å
35	L	98.6	Very high	98.3	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-63.5	-44	177.7	-64.9	-177.6	0	0	0	112.4	L31 V32 K37 V38 H39 L48 Y61 L63 L97 P127	L31-L35 HydrophobicContact CD2-CD1 3.69Å; L31-L35 HydrophobicContact CD2-CG 4.24Å; L31-L35 WeakPolarHBondContact O-CG 3.46Å; L31-L35 PolarHBondContact O-N 2.91Å; V32-L35 PolarHBondContact O-N 3.05Å; L35-K37 VanDerWaalsContact C-N 3.33Å; L35-K37 PolarHBondContact O-N 3.32Å; L35-V38 PolarHBondContact O-N 3.41Å; L35-H39 WeakPolarHBondContact O-CB 3.42Å; L35-H39 PolarHBondContact O-N 3.24Å; L35-L48 HydrophobicContact CB-CD1 3.89Å; L35-L48 HydrophobicContact CB-CD2 4.07Å; L35-L48 HydrophobicContact CD1-CD1 3.93Å; L35-L48 HydrophobicContact CG-CD1 4.49Å; L35-Y61 HydrophobicContact CD1-CG 4.35Å; L35-L63 HydrophobicContact CD2-CB 4.12Å; L35-L63 HydrophobicContact CD2-CD2 4.08Å; L35-L97 HydrophobicContact CD2-CD2 3.68Å; L35-L97 HydrophobicContact CG-CD2 4.15Å; L35-P127 HydrophobicContact CD1-CG 4.36Å; L35-P127 HydrophobicContact CD2-CG 4.12Å
36	Y	98.6	Very high	98.4	Very high	104 Å²	104	54.4 Å²	54.4	41%	0.408	26%	0.257	S	S	.	.	H	α-helix	trans	-64.8	-36.6	173.8	-85.1	-75.7	0	0	0	112.4	V32 T34 H39 N40 L48	V32-Y36 HydrophobicContact CG1-CD2 3.7Å; V32-Y36 HydrophobicContact CG1-CE2 3.7Å; V32-Y36 WeakPolarHBondContact O-CD2 3.32Å; V32-Y36 PolarHBondContact O-N 2.91Å; T34-Y36 PolarHBondContact O-N 3.28Å; Y36-H39 PolarHBondContact O-N 3.43Å; Y36-N40 VanDerWaalsContact O-CB 3.31Å; Y36-N40 WeakPolarHBondContact O-CB 3.48Å; Y36-N40 PolarHBondContact O-N 2.82Å; Y36-N40 PolarHBondContact O-ND2 3.26Å; Y36-L48 HydrophobicContact CD1-CD2 3.84Å; Y36-L48 HydrophobicContact CD2-CD2 3.7Å; Y36-L48 HydrophobicContact CE1-CD2 3.81Å; Y36-L48 HydrophobicContact CE2-CD2 3.66Å; Y36-L48 HydrophobicContact CG-CD2 3.78Å
37	K	98.3	Very high	98.4	Very high	91 Å²	91	59.6 Å²	59.6	40%	0.396	28%	0.277	S	S	.	.	H	α-helix	trans	-59.9	-49.9	175	175.3	-165.2	168	-157.8	0	110.6	R33 T34 L35 N40 Q41 E101	R33-K37 VanDerWaalsContact O-CB 3.28Å; R33-K37 WeakPolarHBondContact O-CB 3.26Å; R33-K37 PolarHBondContact O-N 2.87Å; T34-K37 WeakPolarHBondContact O-CB 3.49Å; T34-K37 PolarHBondContact O-N 3.5Å; L35-K37 VanDerWaalsContact C-N 3.33Å; L35-K37 PolarHBondContact O-N 3.32Å; K37-N40 PolarHBondContact O-N 2.98Å; K37-Q41 VanDerWaalsContact O-CG 3.3Å; K37-Q41 WeakPolarHBondContact O-CG 3.06Å; K37-Q41 PolarHBondContact O-N 2.66Å; K37-E101 IonicContact NZ-OE1 3.21Å; K37-E101 PolarHBondContact NZ-OE1 2.98Å
38	V	98.6	Very high	98.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.7	-47.4	178.2	175.1	0	0	0	0	110.5	T34 L35 N40 Q41 C42 L63 F65 S100 E101 C104	T34-V38 WeakPolarHBondContact O-CG2 3.33Å; T34-V38 PolarHBondContact O-N 2.88Å; L35-V38 PolarHBondContact O-N 3.41Å; V38-N40 VanDerWaalsContact C-N 3.33Å; V38-N40 PolarHBondContact O-N 3.13Å; V38-Q41 PolarHBondContact O-N 2.92Å; V38-C42 PolarHBondContact O-N 3.03Å; V38-L63 HydrophobicContact CB-CD2 4.09Å; V38-L63 HydrophobicContact CG1-CD2 3.74Å; V38-F65 HydrophobicContact CG1-CE1 4.41Å; V38-F65 HydrophobicContact CG1-CZ 3.87Å; V38-S100 WeakPolarHBondContact CG1-O 3.22Å; V38-E101 HydrophobicContact CG2-CB 4.45Å; V38-E101 HydrophobicContact CG2-CG 3.63Å; V38-C104 HydrophobicContact CG1-CB 3.88Å
39	H	98.6	Very high	98.5	Very high	48 Å²	48	55.9 Å²	55.9	22%	0.222	27%	0.265	C	S	.	.	H	α-helix	trans	-57.7	-45.1	177.7	178.1	57	0	0	0	112.4	L35 Y36 Q41 C42 P43 T46 L63	L35-H39 WeakPolarHBondContact O-CB 3.42Å; L35-H39 PolarHBondContact O-N 3.24Å; Y36-H39 PolarHBondContact O-N 3.43Å; H39-Q41 VanDerWaalsContact C-N 3.25Å; H39-Q41 PolarHBondContact O-N 2.83Å; H39-C42 CarbonylContact O-C 3.43Å; H39-C42 VanDerWaalsContact O-C 3.27Å; H39-C42 PolarHBondContact O-N 2.73Å; H39-P43 WeakPolarHBondContact O-CA 3.48Å; H39-P43 WeakPolarHBondContact O-CD 3.5Å; H39-T46 WeakPolarHBondContact CA-OG1 3.4Å; H39-T46 PolarHBondContact CE1-O 3.1Å; H39-T46 PolarHBondContact ND1-O 3.14Å; H39-T46 PolarHBondContact ND1-OG1 3.01Å; H39-L63 HydrophobicContact CB-CD1 4.36Å
40	N	98.4	Very high	98.5	Very high	116 Å²	116	54.1 Å²	54.1	62%	0.62	26%	0.255	S	S	*	.	H	α-helix	trans	-67.6	-24.1	178.4	-68.8	-17.3	0	0	0	113.3	Y36 K37 V38	Y36-N40 VanDerWaalsContact O-CB 3.31Å; Y36-N40 WeakPolarHBondContact O-CB 3.48Å; Y36-N40 PolarHBondContact O-N 2.82Å; Y36-N40 PolarHBondContact O-ND2 3.26Å; K37-N40 PolarHBondContact O-N 2.98Å; V38-N40 VanDerWaalsContact C-N 3.33Å; V38-N40 PolarHBondContact O-N 3.13Å
41	Q	98.3	Very high	98.5	Very high	72 Å²	72	53.7 Å²	53.7	34%	0.336	25%	0.253	S	S	.	.	H	α-helix	trans	-83.1	-29	177	-74.4	177.3	-26.1	0	0	113	K37 V38 H39	K37-Q41 VanDerWaalsContact O-CG 3.3Å; K37-Q41 WeakPolarHBondContact O-CG 3.06Å; K37-Q41 PolarHBondContact O-N 2.66Å; V38-Q41 PolarHBondContact O-N 2.92Å; H39-Q41 VanDerWaalsContact C-N 3.25Å; H39-Q41 PolarHBondContact O-N 2.83Å
42	C	98.3	Very high	98.5	Very high	7 Å²	7	54.3 Å²	54.3	5%	0.047	26%	0.261	C	S	.	.	S	Bend	trans	-134	57.6	-178.6	-70.5	0	0	0	0	111.7	V38 H39 D44 I45 T46 C104 R108	V38-C42 PolarHBondContact O-N 3.03Å; H39-C42 CarbonylContact O-C 3.43Å; H39-C42 VanDerWaalsContact O-C 3.27Å; H39-C42 PolarHBondContact O-N 2.73Å; C42-D44 VanDerWaalsContact C-N 3.29Å; C42-D44 PolarHBondContact O-N 3.27Å; C42-I45 HydrophobicContact CB-CD1 4.01Å; C42-I45 HydrophobicContact CB-CG1 3.7Å; C42-I45 PolarHBondContact O-N 2.94Å; C42-T46 HydrophobicContact CB-CG2 4.26Å; C42-T46 WeakPolarHBondContact O-CB 3.39Å; C42-T46 WeakPolarHBondContact O-CG2 3.5Å; C42-T46 PolarHBondContact O-N 3.33Å; C42-T46 PolarHBondContact O-OG1 3.48Å; C42-C104 HydrophobicContact CB-CB 3.88Å; C42-C104 WeakPolarHBondContact CB-SG 3.35Å; C42-C104 WeakPolarHBondContact SG-CA 3.3Å; C42-C104 WeakPolarHBondContact SG-CB 3.23Å; C42-C104 PolarHBondContact SG-O 2.79Å; C42-C104 VanDerWaalsContact SG-O 3.37Å; C42-C104 CovalentContact SG-SG 2.04Å; C42-C104 PolarHBondContact SG-SG 3.42Å; C42-R108 VanDerWaalsContact SG-CD 3.56Å
43	P	98.1	Very high	98.5	Very high	63 Å²	63	59.1 Å²	59.1	41%	0.409	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-66.2	-31.7	-171.9	27.2	-35.6	0	0	0	112.8	H39 I45	H39-P43 WeakPolarHBondContact O-CA 3.48Å; H39-P43 WeakPolarHBondContact O-CD 3.5Å; P43-I45 PolarHBondContact O-N 2.83Å
44	D	97.4	Very high	98.5	Very high	133 Å²	133	51.6 Å²	51.6	71%	0.711	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-70.1	-21.1	-176.9	-56.3	-37.1	0	0	0	113	C42 P69	C42-D44 VanDerWaalsContact C-N 3.29Å; C42-D44 PolarHBondContact O-N 3.27Å; D44-P69 WeakPolarHBondContact O-CD 3.1Å
45	I	98.6	Very high	98.5	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.031	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-120.9	11.3	-177.6	60.9	152.3	0	0	0	113.5	C42 P43 F65 S66 F107 I118	C42-I45 HydrophobicContact CB-CD1 4.01Å; C42-I45 HydrophobicContact CB-CG1 3.7Å; C42-I45 PolarHBondContact O-N 2.94Å; P43-I45 PolarHBondContact O-N 2.83Å; I45-F65 HydrophobicContact CD1-CD1 4.25Å; I45-F65 VanDerWaalsContact O-CA 3.28Å; I45-F65 WeakPolarHBondContact O-CA 3.48Å; I45-S66 CarbonylContact C-O 3.59Å; I45-S66 WeakPolarHBondContact CA-O 3.46Å; I45-S66 WeakPolarHBondContact CB-O 3.45Å; I45-S66 PolarHBondContact O-N 3.48Å; I45-F107 HydrophobicContact CD1-CB 3.81Å; I45-F107 HydrophobicContact CD1-CD1 3.53Å; I45-F107 HydrophobicContact CD1-CD2 3.73Å; I45-F107 HydrophobicContact CD1-CE1 4Å; I45-F107 HydrophobicContact CD1-CE2 4.18Å; I45-F107 HydrophobicContact CD1-CG 3.4Å; I45-F107 VanDerWaalsContact CD1-CG 3.4Å; I45-F107 HydrophobicContact CD1-CZ 4.32Å; I45-F107 HydrophobicContact CG1-CD1 4.21Å; I45-F107 HydrophobicContact CG1-CE1 4.25Å; I45-F107 HydrophobicContact CG1-CG 4.47Å; I45-F107 HydrophobicContact CG2-CD1 4.48Å; I45-F107 HydrophobicContact CG2-CD2 4.41Å; I45-F107 HydrophobicContact CG2-CE1 3.8Å; I45-F107 HydrophobicContact CG2-CE2 3.71Å; I45-F107 HydrophobicContact CG2-CZ 3.38Å; I45-I118 HydrophobicContact CB-CG2 4.28Å; I45-I118 HydrophobicContact CD1-CD1 3.95Å; I45-I118 HydrophobicContact CG2-CG2 4.47Å
46	T	98.9	Very high	98.5	Very high	3 Å²	3	60 Å²	60	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	149.8	-179	60.4	0	0	0	0	113.4	H39 C42 L63 E64 F65	H39-T46 WeakPolarHBondContact CA-OG1 3.4Å; H39-T46 PolarHBondContact CE1-O 3.1Å; H39-T46 PolarHBondContact ND1-O 3.14Å; H39-T46 PolarHBondContact ND1-OG1 3.01Å; C42-T46 HydrophobicContact CB-CG2 4.26Å; C42-T46 WeakPolarHBondContact O-CB 3.39Å; C42-T46 WeakPolarHBondContact O-CG2 3.5Å; C42-T46 PolarHBondContact O-N 3.33Å; C42-T46 PolarHBondContact O-OG1 3.48Å; T46-L63 HydrophobicContact CG2-CD1 4.49Å; T46-E64 WeakPolarHBondContact CA-O 3.44Å; T46-E64 WeakPolarHBondContact CB-O 3.37Å; T46-F65 HydrophobicContact CG2-CD1 3.56Å; T46-F65 HydrophobicContact CG2-CE1 3.4Å; T46-F65 HydrophobicContact CG2-CE2 4.42Å; T46-F65 HydrophobicContact CG2-CG 4.14Å; T46-F65 HydrophobicContact CG2-CZ 3.87Å
47	R	98.8	Very high	98.6	Very high	113 Å²	113	56.4 Å²	56.4	43%	0.426	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	123.1	169.1	170.4	179	167.6	167.5	-9.1	110.3	Y49 E64 P69 G70	R47-Y49 HydrophobicContact CG-CD1 4.45Å; R47-E64 HydrophobicContact CB-CB 4.16Å; R47-E64 PolarHBondContact N-O 2.76Å; R47-E64 VanDerWaalsContact N-O 3.09Å; R47-E64 WeakPolarHBondContact O-CB 3.48Å; R47-E64 PolarHBondContact O-N 2.84Å; R47-P69 HydrophobicContact CB-CB 3.92Å; R47-G70 PolarHBondContact NH1-O 3.41Å
48	L	98.7	Very high	98.6	Very high	29 Å²	29	55 Å²	55	15%	0.152	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.8	174	-176.8	60.4	0	0	0	110	L35 Y36 Y61 V62 L63	L35-L48 HydrophobicContact CB-CD1 3.89Å; L35-L48 HydrophobicContact CB-CD2 4.07Å; L35-L48 HydrophobicContact CD1-CD1 3.93Å; L35-L48 HydrophobicContact CG-CD1 4.49Å; Y36-L48 HydrophobicContact CD1-CD2 3.84Å; Y36-L48 HydrophobicContact CD2-CD2 3.7Å; Y36-L48 HydrophobicContact CE1-CD2 3.81Å; Y36-L48 HydrophobicContact CE2-CD2 3.66Å; Y36-L48 HydrophobicContact CG-CD2 3.78Å; L48-Y61 HydrophobicContact CD1-CD1 3.72Å; L48-Y61 HydrophobicContact CD1-CG 4.33Å; L48-Y61 HydrophobicContact CD2-CD1 4.31Å; L48-Y61 HydrophobicContact CD2-CE1 4.37Å; L48-Y61 HydrophobicContact CG-CD1 3.94Å; L48-Y61 HydrophobicContact CG-CE1 4.29Å; L48-V62 WeakPolarHBondContact CD1-O 3.39Å; L48-L63 HydrophobicContact CB-CD1 4.13Å; L48-L63 HydrophobicContact CD1-CB 4.43Å; L48-L63 HydrophobicContact CD1-CD1 4.31Å
49	Y	98.8	Very high	98.6	Very high	42 Å²	42	58.6 Å²	58.6	17%	0.165	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	173.3	175	66	-86.8	0	0	0	111.6	R47 I51 Y61 V62 E64 H124 W203	R47-Y49 HydrophobicContact CG-CD1 4.45Å; Y49-I51 HydrophobicContact CD2-CG2 4.02Å; Y49-I51 HydrophobicContact CE2-CG2 3.55Å; Y49-Y61 WeakPolarHBondContact O-CA 3.18Å; Y49-Y61 WeakPolarHBondContact O-CD1 3.44Å; Y49-V62 HydrophobicContact CD1-CB 4.28Å; Y49-V62 HydrophobicContact CD2-CB 4.16Å; Y49-V62 HydrophobicContact CE1-CB 3.87Å; Y49-V62 HydrophobicContact CE1-CG1 3.73Å; Y49-V62 HydrophobicContact CE2-CB 3.72Å; Y49-V62 HydrophobicContact CE2-CG1 4.13Å; Y49-V62 HydrophobicContact CE2-CG2 4.01Å; Y49-V62 HydrophobicContact CG-CB 4.44Å; Y49-V62 VanDerWaalsContact CZ-CG1 3.48Å; Y49-V62 PolarHBondContact N-O 2.91Å; Y49-V62 PolarHBondContact O-N 3.21Å; Y49-V62 WeakPolarHBondContact OH-CG1 3.15Å; Y49-E64 HydrophobicContact CE1-CB 4.12Å; Y49-H124 AromaticContact CE1-ND1 3.69Å; Y49-H124 AromaticContact CZ-ND1 3.75Å; Y49-H124 PolarHBondContact OH-CE1 2.85Å; Y49-H124 PolarHBondContact OH-ND1 3.4Å; Y49-W203 AromaticContact CE2-NE1 3.95Å; Y49-W203 AromaticContact CZ-NE1 3.86Å; Y49-W203 PolarHBondContact OH-NE1 2.83Å
50	N	98.4	Very high	98.6	Very high	73 Å²	73	56.3 Å²	56.3	39%	0.39	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.4	173.2	70.4	98.2	0	0	0	110.4	Y59 L60 Y61	N50-Y59 HydrophobicContact CB-CD1 3.98Å; N50-Y59 HydrophobicContact CB-CG 4.24Å; N50-Y59 WeakPolarHBondContact OD1-CD1 3.39Å; N50-L60 VanDerWaalsContact CA-O 3.24Å; N50-L60 WeakPolarHBondContact CA-O 3.12Å; N50-Y61 HydrophobicContact CB-CD1 4.34Å; N50-Y61 HydrophobicContact CB-CE1 4.5Å
51	I	98.8	Very high	98.6	Very high	25 Å²	25	52 Å²	52	13%	0.128	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-3.9	-178.3	58.3	168.4	0	0	0	113.1	Y49 L60 V62 L126 A199 V200 W203	Y49-I51 HydrophobicContact CD2-CG2 4.02Å; Y49-I51 HydrophobicContact CE2-CG2 3.55Å; I51-L60 HydrophobicContact CD1-CB 4.22Å; I51-L60 HydrophobicContact CD1-CD2 4.28Å; I51-L60 HydrophobicContact CG1-CB 3.64Å; I51-L60 HydrophobicContact CG1-CD2 4.38Å; I51-L60 PolarHBondContact N-O 2.79Å; I51-V62 HydrophobicContact CD1-CG2 4.46Å; I51-V62 HydrophobicContact CG1-CG2 4.4Å; I51-V62 HydrophobicContact CG2-CG2 3.73Å; I51-L126 HydrophobicContact CD1-CD2 3.84Å; I51-A199 HydrophobicContact CD1-CB 4.4Å; I51-A199 HydrophobicContact CG1-CB 4.25Å; I51-A199 VanDerWaalsContact O-CB 3.31Å; I51-A199 WeakPolarHBondContact O-CB 3.16Å; I51-V200 HydrophobicContact CD1-CG2 3.92Å; I51-W203 HydrophobicContact CB-CB 4.15Å; I51-W203 HydrophobicContact CB-CG 4.36Å; I51-W203 HydrophobicContact CD1-CB 4.2Å; I51-W203 HydrophobicContact CD1-CD2 4.22Å; I51-W203 HydrophobicContact CD1-CE3 4.03Å; I51-W203 HydrophobicContact CD1-CG 4.33Å; I51-W203 HydrophobicContact CG2-CB 3.88Å; I51-W203 HydrophobicContact CG2-CD2 4.09Å; I51-W203 HydrophobicContact CG2-CG 3.59Å
52	G	98.7	Very high	98.7	Very high	20 Å²	20	48.6 Å²	48.6	21%	0.206	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.3	-167.5	-176.4	0	0	0	0	0	111.5	Y59 L60	G52-Y59 WeakPolarHBondContact O-CA 3.4Å; G52-L60 PolarHBondContact O-N 2.85Å
53	R	98.9	Very high	98.7	Very high	122 Å²	122	48.2 Å²	48.2	46%	0.46	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.7	177.5	-65	177.2	-176.9	-97.3	9.9	110.5	G57 R58 Y59	R53-G57 PolarHBondContact NH1-O 2.86Å; R53-R58 CarbonylContact C-O 3.53Å; R53-R58 VanDerWaalsContact CA-O 3.25Å; R53-R58 WeakPolarHBondContact CA-O 3.42Å; R53-Y59 HydrophobicContact CG-CD1 3.71Å; R53-Y59 HydrophobicContact CG-CE1 4Å; R53-Y59 PolarHBondContact NH2-OH 2.8Å
54	S	98.9	Very high	98.7	Very high	6 Å²	6	45.3 Å²	45.3	4%	0.042	22%	0.218	C	C	.	.			trans	-66.7	172.2	167.6	71.2	0	0	0	0	111.6	K56 G57 R58 D132 E196	S54-K56 VanDerWaalsContact C-N 3.26Å; S54-K56 PolarHBondContact O-N 3.02Å; S54-K56 PolarHBondContact OG-N 3.22Å; S54-G57 PolarHBondContact O-N 3.37Å; S54-G57 PolarHBondContact OG-N 3.27Å; S54-R58 PolarHBondContact N-O 3.48Å; S54-R58 WeakPolarHBondContact OG-CB 3.46Å; S54-R58 PolarHBondContact OG-N 3.21Å; S54-R58 PolarHBondContact OG-O 3.22Å; S54-D132 VanDerWaalsContact CB-CG 3.45Å; S54-D132 WeakPolarHBondContact CB-OD1 3.32Å; S54-D132 VanDerWaalsContact CB-OD2 3.26Å; S54-D132 WeakPolarHBondContact CB-OD2 3.4Å; S54-D132 PolarHBondContact OG-OD1 2.8Å; S54-D132 PolarHBondContact OG-OD2 2.86Å; S54-E196 WeakPolarHBondContact CA-OE1 3.42Å; S54-E196 VanDerWaalsContact CB-OE1 3.26Å; S54-E196 WeakPolarHBondContact CB-OE1 3.31Å
55	V	98.8	Very high	98.8	Very high	52 Å²	52	39 Å²	39	32%	0.315	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-42.1	174.6	176.6	0	0	0	0	112.3	G57 D132 A154 N155 P195 E196	V55-G57 VanDerWaalsContact C-N 3.27Å; V55-G57 PolarHBondContact O-N 3.02Å; V55-D132 PolarHBondContact N-OD2 3.46Å; V55-A154 HydrophobicContact CB-CB 3.72Å; V55-A154 HydrophobicContact CG1-CB 3.81Å; V55-A154 HydrophobicContact CG2-CB 4.34Å; V55-N155 WeakPolarHBondContact CG2-ND2 3.5Å; V55-P195 HydrophobicContact CB-CG 4.36Å; V55-P195 HydrophobicContact CG2-CG 3.5Å; V55-P195 VanDerWaalsContact CG2-CG 3.5Å; V55-E196 PolarHBondContact N-OE1 2.9Å
56	K	98.7	Very high	98.8	Very high	134 Å²	134	38.7 Å²	38.7	58%	0.583	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	15	178.4	-62.9	-178.2	167.6	175.4	0	113.6	S54 D132 A154	S54-K56 VanDerWaalsContact C-N 3.26Å; S54-K56 PolarHBondContact O-N 3.02Å; S54-K56 PolarHBondContact OG-N 3.22Å; K56-D132 WeakPolarHBondContact CB-OD2 3.3Å; K56-D132 WeakPolarHBondContact CG-OD2 3.5Å; K56-D132 PolarHBondContact N-OD2 3.12Å; K56-A154 HydrophobicContact CD-CB 4.19Å; K56-A154 HydrophobicContact CG-CB 3.92Å
57	G	98.7	Very high	98.8	Very high	30 Å²	30	40.8 Å²	40.8	31%	0.309	19%	0.194	S	C	.	.	S	Bend	trans	84.1	6.8	170.2	0	0	0	0	0	115.8	R53 S54 V55	R53-G57 PolarHBondContact NH1-O 2.86Å; S54-G57 PolarHBondContact O-N 3.37Å; S54-G57 PolarHBondContact OG-N 3.27Å; V55-G57 VanDerWaalsContact C-N 3.27Å; V55-G57 PolarHBondContact O-N 3.02Å
58	R	98.9	Very high	98.7	Very high	61 Å²	61	39.8 Å²	39.8	23%	0.23	19%	0.194	C	C	.	.			trans	-74.1	130	175.2	-64.7	-175.9	177.6	85.8	1.8	109.8	Y28 R53 S54 P131 D132	Y28-R58 HydrophobicContact CD1-CG 4.16Å; Y28-R58 HydrophobicContact CD2-CB 4.15Å; Y28-R58 HydrophobicContact CD2-CG 4.26Å; Y28-R58 HydrophobicContact CE1-CB 4.13Å; Y28-R58 HydrophobicContact CE1-CG 4.09Å; Y28-R58 HydrophobicContact CE2-CB 3.68Å; Y28-R58 HydrophobicContact CE2-CG 4.22Å; Y28-R58 HydrophobicContact CG-CG 4.23Å; R53-R58 CarbonylContact C-O 3.53Å; R53-R58 VanDerWaalsContact CA-O 3.25Å; R53-R58 WeakPolarHBondContact CA-O 3.42Å; S54-R58 PolarHBondContact N-O 3.48Å; S54-R58 WeakPolarHBondContact OG-CB 3.46Å; S54-R58 PolarHBondContact OG-N 3.21Å; S54-R58 PolarHBondContact OG-O 3.22Å; R58-P131 HydrophobicContact CB-CB 4.23Å; R58-P131 HydrophobicContact CB-CG 3.91Å; R58-D132 WeakPolarHBondContact CD-OD1 3.31Å; R58-D132 IonicContact CZ-OD1 2.83Å; R58-D132 IonicContact NH1-OD1 2.71Å; R58-D132 PolarHBondContact NH1-OD1 2.98Å
59	Y	98.9	Very high	98.7	Very high	75 Å²	75	40.3 Å²	40.3	29%	0.294	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	140.6	174.1	-64.3	-68.9	0	0	0	112.1	Y28 N50 G52 R53 Y61	Y28-Y59 WeakPolarHBondContact CE2-O 3.45Å; Y28-Y59 WeakPolarHBondContact OH-CA 3.35Å; Y28-Y59 WeakPolarHBondContact OH-CB 3.27Å; Y28-Y59 PolarHBondContact OH-N 2.93Å; Y28-Y59 PolarHBondContact OH-O 2.81Å; Y28-Y59 VanDerWaalsContact OH-O 3.06Å; N50-Y59 HydrophobicContact CB-CD1 3.98Å; N50-Y59 HydrophobicContact CB-CG 4.24Å; N50-Y59 WeakPolarHBondContact OD1-CD1 3.39Å; G52-Y59 WeakPolarHBondContact O-CA 3.4Å; R53-Y59 HydrophobicContact CG-CD1 3.71Å; R53-Y59 HydrophobicContact CG-CE1 4Å; R53-Y59 PolarHBondContact NH2-OH 2.8Å; Y59-Y61 HydrophobicContact CD2-CE2 4.02Å; Y59-Y61 AromaticContact CD2-CZ 3.95Å; Y59-Y61 HydrophobicContact CG-CE2 4.23Å; Y59-Y61 PolarHBondContact O-N 2.88Å
60	L	98.9	Very high	98.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	96.1	166.4	-80.8	64.2	0	0	0	107.3	N50 I51 G52 L126 P131 E196 A199	N50-L60 VanDerWaalsContact CA-O 3.24Å; N50-L60 WeakPolarHBondContact CA-O 3.12Å; I51-L60 HydrophobicContact CD1-CB 4.22Å; I51-L60 HydrophobicContact CD1-CD2 4.28Å; I51-L60 HydrophobicContact CG1-CB 3.64Å; I51-L60 HydrophobicContact CG1-CD2 4.38Å; I51-L60 PolarHBondContact N-O 2.79Å; G52-L60 PolarHBondContact O-N 2.85Å; L60-L126 HydrophobicContact CB-CD1 4.28Å; L60-P131 HydrophobicContact CD1-CG 4.23Å; L60-E196 HydrophobicContact CD1-CG 4.38Å; L60-E196 HydrophobicContact CD2-CB 4.12Å; L60-E196 HydrophobicContact CD2-CG 4.31Å; L60-A199 HydrophobicContact CD2-CB 4.23Å
61	Y	98.9	Very high	98.7	Very high	26 Å²	26	41.2 Å²	41.2	10%	0.102	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	138.3	-176.7	-81.2	-76	0	0	0	112.3	Y28 V32 L35 L48 Y49 N50 Y59 L126 P127	Y28-Y61 WeakPolarHBondContact OH-CE2 3.41Å; V32-Y61 HydrophobicContact CB-CE2 4.39Å; V32-Y61 HydrophobicContact CG1-CE2 3.99Å; V32-Y61 HydrophobicContact CG2-CD2 3.71Å; V32-Y61 HydrophobicContact CG2-CE2 3.48Å; V32-Y61 VanDerWaalsContact CG2-CE2 3.48Å; L35-Y61 HydrophobicContact CD1-CG 4.35Å; L48-Y61 HydrophobicContact CD1-CD1 3.72Å; L48-Y61 HydrophobicContact CD1-CG 4.33Å; L48-Y61 HydrophobicContact CD2-CD1 4.31Å; L48-Y61 HydrophobicContact CD2-CE1 4.37Å; L48-Y61 HydrophobicContact CG-CD1 3.94Å; L48-Y61 HydrophobicContact CG-CE1 4.29Å; Y49-Y61 WeakPolarHBondContact O-CA 3.18Å; Y49-Y61 WeakPolarHBondContact O-CD1 3.44Å; N50-Y61 HydrophobicContact CB-CD1 4.34Å; N50-Y61 HydrophobicContact CB-CE1 4.5Å; Y59-Y61 HydrophobicContact CD2-CE2 4.02Å; Y59-Y61 AromaticContact CD2-CZ 3.95Å; Y59-Y61 HydrophobicContact CG-CE2 4.23Å; Y59-Y61 PolarHBondContact O-N 2.88Å; Y61-L126 WeakPolarHBondContact O-CD1 3.16Å; Y61-P127 WeakPolarHBondContact O-CD 3.37Å
62	V	98.9	Very high	98.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.1	172.7	-176.7	0	0	0	0	108.5	L48 Y49 I51 H124 I125 L126 W203	L48-V62 WeakPolarHBondContact CD1-O 3.39Å; Y49-V62 HydrophobicContact CD1-CB 4.28Å; Y49-V62 HydrophobicContact CD2-CB 4.16Å; Y49-V62 HydrophobicContact CE1-CB 3.87Å; Y49-V62 HydrophobicContact CE1-CG1 3.73Å; Y49-V62 HydrophobicContact CE2-CB 3.72Å; Y49-V62 HydrophobicContact CE2-CG1 4.13Å; Y49-V62 HydrophobicContact CE2-CG2 4.01Å; Y49-V62 HydrophobicContact CG-CB 4.44Å; Y49-V62 VanDerWaalsContact CZ-CG1 3.48Å; Y49-V62 PolarHBondContact N-O 2.91Å; Y49-V62 PolarHBondContact O-N 3.21Å; Y49-V62 WeakPolarHBondContact OH-CG1 3.15Å; I51-V62 HydrophobicContact CD1-CG2 4.46Å; I51-V62 HydrophobicContact CG1-CG2 4.4Å; I51-V62 HydrophobicContact CG2-CG2 3.73Å; V62-H124 HydrophobicContact CG1-CB 3.88Å; V62-I125 CarbonylContact C-O 3.35Å; V62-I125 VanDerWaalsContact CA-O 3.28Å; V62-I125 WeakPolarHBondContact CA-O 3.26Å; V62-L126 HydrophobicContact CG2-CB 4.12Å; V62-L126 HydrophobicContact CG2-CD1 4.15Å; V62-W203 HydrophobicContact CG1-CZ2 3.98Å; V62-W203 HydrophobicContact CG2-CZ2 4.22Å
63	L	98.9	Very high	98.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.6	170.1	-173.6	64.9	0	0	0	108.8	L35 V38 H39 T46 L48 F65 I125	L35-L63 HydrophobicContact CD2-CB 4.12Å; L35-L63 HydrophobicContact CD2-CD2 4.08Å; V38-L63 HydrophobicContact CB-CD2 4.09Å; V38-L63 HydrophobicContact CG1-CD2 3.74Å; H39-L63 HydrophobicContact CB-CD1 4.36Å; T46-L63 HydrophobicContact CG2-CD1 4.49Å; L48-L63 HydrophobicContact CB-CD1 4.13Å; L48-L63 HydrophobicContact CD1-CB 4.43Å; L48-L63 HydrophobicContact CD1-CD1 4.31Å; L63-F65 HydrophobicContact CD2-CE2 3.55Å; L63-F65 HydrophobicContact CD2-CZ 3.76Å; L63-F65 HydrophobicContact CG-CD2 4.37Å; L63-F65 HydrophobicContact CG-CE2 3.75Å; L63-F65 HydrophobicContact CG-CZ 4.31Å; L63-I125 PolarHBondContact N-O 3.34Å; L63-I125 PolarHBondContact O-N 3.24Å
64	E	98.9	Very high	98.6	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	142.7	175.2	179.8	-179.2	154.1	0	0	110.6	T46 R47 Y49 P69 G70 R122 I123 H124	T46-E64 WeakPolarHBondContact CA-O 3.44Å; T46-E64 WeakPolarHBondContact CB-O 3.37Å; R47-E64 HydrophobicContact CB-CB 4.16Å; R47-E64 PolarHBondContact N-O 2.76Å; R47-E64 VanDerWaalsContact N-O 3.09Å; R47-E64 WeakPolarHBondContact O-CB 3.48Å; R47-E64 PolarHBondContact O-N 2.84Å; Y49-E64 HydrophobicContact CE1-CB 4.12Å; E64-P69 WeakPolarHBondContact OE1-CA 3.31Å; E64-G70 PolarHBondContact OE1-N 3.47Å; E64-R122 HydrophobicContact CG-CG 4.39Å; E64-R122 IonicContact OE1-CZ 3.46Å; E64-R122 IonicContact OE1-NE 3.08Å; E64-R122 PolarHBondContact OE1-NE 2.85Å; E64-R122 IonicContact OE1-NH2 3.08Å; E64-R122 PolarHBondContact OE1-NH2 2.92Å; E64-R122 IonicContact OE2-NH2 3.69Å; E64-R122 PolarHBondContact OE2-NH2 2.88Å; E64-I123 CarbonylContact C-O 3.27Å; E64-I123 VanDerWaalsContact CA-O 3.26Å; E64-I123 WeakPolarHBondContact CA-O 3.49Å; E64-H124 IonicContact OE2-CE1 2.71Å; E64-H124 PolarHBondContact OE2-CE1 2.78Å
65	F	98.9	Very high	98.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.1	166.8	-69.3	-100.5	0	0	0	109.9	V38 I45 T46 L63 S100 L103 C104 I118 I123 I125	V38-F65 HydrophobicContact CG1-CE1 4.41Å; V38-F65 HydrophobicContact CG1-CZ 3.87Å; I45-F65 HydrophobicContact CD1-CD1 4.25Å; I45-F65 VanDerWaalsContact O-CA 3.28Å; I45-F65 WeakPolarHBondContact O-CA 3.48Å; T46-F65 HydrophobicContact CG2-CD1 3.56Å; T46-F65 HydrophobicContact CG2-CE1 3.4Å; T46-F65 HydrophobicContact CG2-CE2 4.42Å; T46-F65 HydrophobicContact CG2-CG 4.14Å; T46-F65 HydrophobicContact CG2-CZ 3.87Å; L63-F65 HydrophobicContact CD2-CE2 3.55Å; L63-F65 HydrophobicContact CD2-CZ 3.76Å; L63-F65 HydrophobicContact CG-CD2 4.37Å; L63-F65 HydrophobicContact CG-CE2 3.75Å; L63-F65 HydrophobicContact CG-CZ 4.31Å; F65-S100 WeakPolarHBondContact CZ-O 3.4Å; F65-L103 HydrophobicContact CD1-CB 4.08Å; F65-L103 HydrophobicContact CD1-CD1 4.45Å; F65-L103 HydrophobicContact CD2-CD1 4.1Å; F65-L103 HydrophobicContact CE1-CB 3.76Å; F65-L103 HydrophobicContact CE2-CD1 4.22Å; F65-L103 HydrophobicContact CG-CD1 4.23Å; F65-L103 HydrophobicContact CZ-CB 4.09Å; F65-L103 HydrophobicContact CZ-CD1 4.45Å; F65-C104 HydrophobicContact CE1-CB 4.33Å; F65-I118 HydrophobicContact CD1-CD1 4.25Å; F65-I123 HydrophobicContact CB-CB 4.28Å; F65-I123 PolarHBondContact N-O 3.39Å; F65-I123 PolarHBondContact O-N 3.47Å; F65-I125 HydrophobicContact CD2-CD1 4.28Å; F65-I125 HydrophobicContact CE2-CD1 4.12Å
66	S	98.8	Very high	98.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.			trans	-167.6	159.3	171.8	161.9	0	0	0	0	106.6	I45 H68 E76 I118	I45-S66 CarbonylContact C-O 3.59Å; I45-S66 WeakPolarHBondContact CA-O 3.46Å; I45-S66 WeakPolarHBondContact CB-O 3.45Å; I45-S66 PolarHBondContact O-N 3.48Å; S66-H68 PolarHBondContact OG-N 3.21Å; S66-H68 VanDerWaalsContact OG-N 3.07Å; S66-E76 PolarHBondContact OG-OE1 2.93Å; S66-I118 WeakPolarHBondContact CA-O 3.18Å
67	D	97.9	Very high	98.6	Very high	47 Å²	47	34.3 Å²	34.3	25%	0.251	18%	0.182	S	C	.	.	S	Bend	trans	-74.2	-13.1	170.4	68	-30.2	0	0	0	113.7	I118 Q119	D67-I118 PolarHBondContact N-O 3.21Å; D67-Q119 HydrophobicContact CB-CG 4.15Å
68	H	98.3	Very high	98.6	Very high	92 Å²	92	32.9 Å²	32.9	43%	0.426	17%	0.167	S	C	.	.	S	Bend	trans	-125.7	66.1	169.7	-59.9	96.3	0	0	0	112.1	S66 G70 I71 E73	S66-H68 PolarHBondContact OG-N 3.21Å; S66-H68 VanDerWaalsContact OG-N 3.07Å; H68-G70 PolarHBondContact O-N 2.96Å; H68-I71 PolarHBondContact O-N 3Å; H68-E73 WeakPolarHBondContact CB-OE2 3.28Å; H68-E73 IonicContact CE1-OE1 2.75Å; H68-E73 IonicContact CE1-OE2 3.61Å; H68-E73 IonicContact CG-OE2 2.92Å; H68-E73 IonicContact ND1-OE1 3.36Å; H68-E73 IonicContact ND1-OE2 3.95Å; H68-E73 PolarHBondContact ND1-OE2 3.39Å
69	P	98.4	Very high	98.6	Very high	40 Å²	40	30.1 Å²	30.1	26%	0.26	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	131.4	-171.3	28.3	-35.9	0	0	0	112.1	D44 R47 E64	D44-P69 WeakPolarHBondContact O-CD 3.1Å; R47-P69 HydrophobicContact CB-CB 3.92Å; E64-P69 WeakPolarHBondContact OE1-CA 3.31Å
70	G	98.2	Very high	98.6	Very high	21 Å²	21	26.6 Å²	26.6	22%	0.216	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.9	-4.9	177.5	0	0	0	0	0	115.3	R47 E64 H68	R47-G70 PolarHBondContact NH1-O 3.41Å; E64-G70 PolarHBondContact OE1-N 3.47Å; H68-G70 PolarHBondContact O-N 2.96Å
71	I	97.8	Very high	98.6	Very high	113 Å²	113	26.6 Å²	26.6	58%	0.579	14%	0.143	S	C	*	.	S	Bend	trans	-126.8	139.6	-178.9	-59.5	173.5	0	0	0	107.9	H68 R122	H68-I71 PolarHBondContact O-N 3Å; I71-R122 WeakPolarHBondContact O-CD 3.23Å; I71-R122 VanDerWaalsContact O-CZ 3.23Å; I71-R122 PolarHBondContact O-NE 3.3Å; I71-R122 PolarHBondContact O-NH1 3.46Å
72	H	98.3	Very high	98.6	Very high	27 Å²	27	25.4 Å²	25.4	13%	0.125	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-88.1	127.1	169	171	80.4	0	0	0	108.7	E76 E78 H370 D372	H72-E76 PolarHBondContact CE1-O 2.98Å; H72-E76 VanDerWaalsContact CE1-O 3.26Å; H72-E78 IonicContact CG-OE1 3.58Å; H72-E78 IonicContact ND1-OE1 3.58Å; H72-E78 PolarHBondContact ND1-OE1 3.34Å; H72-E78 VanDerWaalsContact ND1-OE1 3.08Å; H72-H370 AromaticContact CD2-CE1 3.68Å; H72-H370 AromaticContact CD2-CG 3.91Å; H72-H370 AromaticContact CD2-ND1 3.22Å; H72-H370 PolarHBondContact CD2-ND1 3.48Å; H72-H370 AromaticContact NE2-ND1 3.99Å; H72-D372 IonicContact CE1-OD2 3.19Å; H72-D372 IonicContact NE2-OD1 2.9Å; H72-D372 IonicContact NE2-OD2 2.76Å; H72-D372 PolarHBondContact NE2-OD2 3.15Å
73	E	98.4	Very high	98.6	Very high	63 Å²	63	25.4 Å²	25.4	29%	0.294	14%	0.139	S	C	.	.	P	Polyproline II helix	trans	-97.2	131	173.8	-64.4	-175.7	84.8	0	0	110.3	H68 L75 E76	H68-E73 WeakPolarHBondContact CB-OE2 3.28Å; H68-E73 IonicContact CE1-OE1 2.75Å; H68-E73 IonicContact CE1-OE2 3.61Å; H68-E73 IonicContact CG-OE2 2.92Å; H68-E73 IonicContact ND1-OE1 3.36Å; H68-E73 IonicContact ND1-OE2 3.95Å; H68-E73 PolarHBondContact ND1-OE2 3.39Å; E73-L75 PolarHBondContact O-N 3.36Å; E73-E76 HydrophobicContact CB-CB 3.98Å; E73-E76 WeakPolarHBondContact O-CB 3.41Å; E73-E76 PolarHBondContact O-N 3.32Å
74	P	98	Very high	98.6	Very high	67 Å²	67	25.4 Å²	25.4	44%	0.435	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	134.4	-179.7	-25.5	33.4	0	0	0	112.1	E76 M342 H370 D372	P74-E76 PolarHBondContact O-N 3.36Å; P74-M342 HydrophobicContact CB-CE 4.28Å; P74-M342 HydrophobicContact CB-SD 4.25Å; P74-H370 HydrophobicContact CB-CB 4.48Å; P74-H370 HydrophobicContact CG-CB 4.06Å; P74-D372 HydrophobicContact CB-CB 4.48Å
75	L	98.5	Very high	98.6	Very high	44 Å²	44	25.5 Å²	25.5	23%	0.23	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	5.1	-175.6	-46.5	171.9	0	0	0	115.1	E73 K340 G341 M342 D372 L407	E73-L75 PolarHBondContact O-N 3.36Å; L75-K340 HydrophobicContact CB-CD 4.34Å; L75-K340 PolarHBondContact O-NZ 2.84Å; L75-G341 VanDerWaalsContact CD2-CA 3.45Å; L75-M342 HydrophobicContact CD1-SD 4.49Å; L75-M342 HydrophobicContact CD2-CG 4.4Å; L75-M342 HydrophobicContact CD2-SD 3.78Å; L75-M342 HydrophobicContact CG-SD 3.97Å; L75-D372 HydrophobicContact CD2-CB 4.11Å; L75-D372 PolarHBondContact N-OD2 2.93Å; L75-L407 HydrophobicContact CD1-CD1 3.84Å; L75-L407 HydrophobicContact CD2-CD1 4.25Å
76	E	98.8	Very high	98.6	Very high	11 Å²	11	25.6 Å²	25.6	5%	0.051	14%	0.14	C	C	.	.			trans	-90.1	112.4	165.7	-168.5	-164.7	-149.6	0	0	109	S66 H72 E73 P74 R122 F374	S66-E76 PolarHBondContact OG-OE1 2.93Å; H72-E76 PolarHBondContact CE1-O 2.98Å; H72-E76 VanDerWaalsContact CE1-O 3.26Å; E73-E76 HydrophobicContact CB-CB 3.98Å; E73-E76 WeakPolarHBondContact O-CB 3.41Å; E73-E76 PolarHBondContact O-N 3.32Å; P74-E76 PolarHBondContact O-N 3.36Å; E76-R122 HydrophobicContact CG-CB 4.5Å; E76-F374 WeakPolarHBondContact O-CZ 3.4Å
77	P	98.8	Very high	98.6	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	14%	0.14	C	C	.	.			trans	-73.3	142.4	-177.8	28.6	-33.3	0	0	0	112.5	D120 T121 R122 V210 V335 H336 F374	P77-D120 WeakPolarHBondContact CD-O 3.5Å; P77-T121 HydrophobicContact CG-CG2 4.41Å; P77-T121 WeakPolarHBondContact O-CG2 3.48Å; P77-R122 PolarHBondContact O-N 3.12Å; P77-R122 VanDerWaalsContact O-N 3.09Å; P77-V210 HydrophobicContact CB-CB 4.47Å; P77-V210 HydrophobicContact CB-CG2 3.97Å; P77-V335 HydrophobicContact CB-CG1 4.29Å; P77-V335 HydrophobicContact CB-CG2 3.56Å; P77-V335 HydrophobicContact CG-CG1 3.78Å; P77-V335 HydrophobicContact CG-CG2 3.99Å; P77-H336 VanDerWaalsContact CG-CE1 3.43Å; P77-H336 WeakPolarHBondContact CG-CE1 3.24Å; P77-F374 HydrophobicContact CB-CD1 3.84Å; P77-F374 HydrophobicContact CB-CE1 3.66Å; P77-F374 HydrophobicContact CB-CG 4.43Å; P77-F374 HydrophobicContact CB-CZ 4.14Å; P77-F374 HydrophobicContact CG-CE1 4.22Å
78	E	98.9	Very high	98.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127	174.5	-58.6	-80.3	-172.6	0	0	109.8	H72 R122 H124 F209 V210	H72-E78 IonicContact CG-OE1 3.58Å; H72-E78 IonicContact ND1-OE1 3.58Å; H72-E78 PolarHBondContact ND1-OE1 3.34Å; H72-E78 VanDerWaalsContact ND1-OE1 3.08Å; E78-R122 WeakPolarHBondContact CA-O 3.17Å; E78-R122 WeakPolarHBondContact OE1-CD 3.37Å; E78-R122 IonicContact OE1-CZ 3.33Å; E78-R122 IonicContact OE1-NE 2.97Å; E78-R122 IonicContact OE1-NH1 3.54Å; E78-R122 PolarHBondContact OE1-NH1 3.48Å; E78-R122 VanDerWaalsContact OE2-CB 3.29Å; E78-R122 WeakPolarHBondContact OE2-CB 3.44Å; E78-R122 WeakPolarHBondContact OE2-CD 3.27Å; E78-R122 WeakPolarHBondContact OE2-CG 3.23Å; E78-R122 IonicContact OE2-NH1 3.95Å; E78-H124 IonicContact OE2-CD2 3.78Å; E78-H124 PolarHBondContact OE2-CD2 2.79Å; E78-H124 IonicContact OE2-NE2 2.81Å; E78-H124 PolarHBondContact OE2-NE2 2.71Å; E78-F209 HydrophobicContact CB-CD1 3.98Å; E78-F209 HydrophobicContact CB-CE1 4.42Å; E78-F209 WeakPolarHBondContact O-CA 3.38Å; E78-V210 PolarHBondContact O-N 3.28Å
79	V	98.9	Very high	98.6	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.012	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.5	176.5	-59.7	0	0	0	0	111.7	T121 R122 I123 H124 L211 L332 V335	V79-T121 HydrophobicContact CB-CG2 4.46Å; V79-T121 HydrophobicContact CG1-CG2 3.98Å; V79-T121 HydrophobicContact CG2-CG2 3.65Å; V79-R122 PolarHBondContact N-O 2.83Å; V79-I123 HydrophobicContact CG2-CB 4Å; V79-I123 HydrophobicContact CG2-CG1 3.68Å; V79-I123 HydrophobicContact CG2-CG2 4.1Å; V79-H124 PolarHBondContact O-N 2.8Å; V79-L211 WeakPolarHBondContact CA-O 3.5Å; V79-L211 HydrophobicContact CG1-CB 4.13Å; V79-L332 HydrophobicContact CB-CD2 4.29Å; V79-L332 HydrophobicContact CG2-CD2 3.63Å; V79-V335 HydrophobicContact CG1-CB 3.52Å; V79-V335 HydrophobicContact CG1-CG1 3.73Å; V79-V335 HydrophobicContact CG1-CG2 3.43Å; V79-V335 VanDerWaalsContact CG1-CG2 3.43Å
80	K	98.9	Very high	98.6	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.009	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	143.3	176.6	68.1	-175.6	165.4	64.1	0	115.9	H124 W203 I204 F209 L211 S212 A213 N293 E301	K80-H124 CarbonylContact C-O 3.55Å; K80-H124 WeakPolarHBondContact CA-O 3.29Å; K80-H124 HydrophobicContact CB-CB 4.22Å; K80-H124 WeakPolarHBondContact CB-O 3.48Å; K80-W203 HydrophobicContact CB-CH2 3.72Å; K80-W203 HydrophobicContact CB-CZ2 4.13Å; K80-W203 HydrophobicContact CD-CE3 4.38Å; K80-W203 HydrophobicContact CD-CH2 3.66Å; K80-W203 HydrophobicContact CD-CZ2 4.24Å; K80-W203 HydrophobicContact CD-CZ3 3.73Å; K80-W203 HydrophobicContact CG-CH2 4.17Å; K80-I204 HydrophobicContact CD-CG2 4.3Å; K80-F209 HydrophobicContact CB-CD1 3.86Å; K80-F209 HydrophobicContact CB-CE1 3.59Å; K80-F209 HydrophobicContact CB-CZ 4.17Å; K80-F209 HydrophobicContact CD-CB 4.48Å; K80-F209 HydrophobicContact CD-CD1 3.81Å; K80-F209 HydrophobicContact CD-CD2 3.74Å; K80-F209 HydrophobicContact CD-CE1 3.87Å; K80-F209 HydrophobicContact CD-CE2 3.79Å; K80-F209 HydrophobicContact CD-CG 3.74Å; K80-F209 HydrophobicContact CD-CZ 3.86Å; K80-F209 HydrophobicContact CG-CD1 3.85Å; K80-F209 HydrophobicContact CG-CE1 4Å; K80-F209 HydrophobicContact CG-CG 4.2Å; K80-F209 HydrophobicContact CG-CZ 4.45Å; K80-L211 PolarHBondContact N-O 3.13Å; K80-L211 VanDerWaalsContact N-O 3.13Å; K80-S212 WeakPolarHBondContact CG-OG 3.31Å; K80-S212 VanDerWaalsContact NZ-CB 3.26Å; K80-S212 PolarHBondContact NZ-OG 3Å; K80-S212 WeakPolarHBondContact O-CA 3.3Å; K80-S212 WeakPolarHBondContact O-CB 3.37Å; K80-S212 PolarHBondContact O-OG 3Å; K80-A213 PolarHBondContact O-N 2.82Å; K80-N293 WeakPolarHBondContact CE-OD1 3.15Å; K80-N293 PolarHBondContact NZ-OD1 3.46Å; K80-E301 IonicContact NZ-OE2 3.74Å; K80-E301 PolarHBondContact NZ-OE2 2.85Å
81	Y	99	Very high	98.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	139.1	162.9	-79.7	-55.4	0	0	0	111.4	L96 L99 H124 L126 A213 L215 L328 F331 L332	Y81-L96 HydrophobicContact CD2-CD2 3.97Å; Y81-L96 HydrophobicContact CG-CD2 3.84Å; Y81-L99 HydrophobicContact CD2-CD2 3.86Å; Y81-L99 HydrophobicContact CE2-CD2 3.89Å; Y81-H124 PolarHBondContact N-O 3.35Å; Y81-L126 PolarHBondContact O-N 3.05Å; Y81-A213 WeakPolarHBondContact CA-O 3.37Å; Y81-A213 HydrophobicContact CD1-CB 3.88Å; Y81-A213 HydrophobicContact CE1-CB 3.72Å; Y81-L215 HydrophobicContact CD1-CD1 3.68Å; Y81-L215 HydrophobicContact CE1-CD1 4.37Å; Y81-L215 HydrophobicContact CG-CD1 4.35Å; Y81-L328 HydrophobicContact CE1-CD2 4.14Å; Y81-L328 HydrophobicContact CE2-CD2 3.99Å; Y81-L328 WeakPolarHBondContact OH-CA 3.39Å; Y81-L328 PolarHBondContact OH-O 3.24Å; Y81-F331 AromaticContact CE1-CD1 3.74Å; Y81-F331 HydrophobicContact CE1-CD1 3.74Å; Y81-F331 HydrophobicContact CE1-CE1 4.12Å; Y81-F331 AromaticContact CZ-CD1 3.78Å; Y81-F331 WeakPolarHBondContact OH-CB 3.45Å; Y81-F331 VanDerWaalsContact OH-CD1 3.26Å; Y81-F331 WeakPolarHBondContact OH-CD1 3.43Å; Y81-L332 HydrophobicContact CD2-CD2 3.98Å; Y81-L332 HydrophobicContact CD2-CG 4.43Å; Y81-L332 HydrophobicContact CE2-CD1 3.88Å; Y81-L332 HydrophobicContact CE2-CD2 3.53Å; Y81-L332 HydrophobicContact CE2-CG 3.58Å
82	V	99	Very high	98.6	Very high	1 Å²	1	11 Å²	11	1%	0.006	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.7	175.6	-177.6	0	0	0	0	110	L126 M129 W203 A213 N214 L215 M289	V82-L126 WeakPolarHBondContact CA-O 3.35Å; V82-L126 HydrophobicContact CG1-CD2 3.93Å; V82-L126 HydrophobicContact CG1-CG 4.28Å; V82-L126 HydrophobicContact CG2-CB 4.38Å; V82-L126 HydrophobicContact CG2-CD2 4.33Å; V82-M129 HydrophobicContact CG1-CB 3.96Å; V82-M129 HydrophobicContact CG1-SD 4.33Å; V82-W203 HydrophobicContact CG2-CH2 4.3Å; V82-W203 HydrophobicContact CG2-CZ3 3.84Å; V82-A213 PolarHBondContact N-O 3Å; V82-N214 HydrophobicContact CB-CB 4.35Å; V82-N214 CarbonylContact O-C 3.5Å; V82-N214 VanDerWaalsContact O-CA 3.23Å; V82-N214 WeakPolarHBondContact O-CA 3.29Å; V82-L215 PolarHBondContact O-N 2.86Å; V82-M289 HydrophobicContact CB-CE 4.04Å; V82-M289 HydrophobicContact CG1-CE 3.91Å; V82-M289 HydrophobicContact CG2-CE 4.4Å
83	G	98.9	Very high	98.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	157.3	176.5	0	0	0	0	0	112.9	M85 L126 P127 S128 M129	G83-M85 VanDerWaalsContact C-N 3.32Å; G83-M85 PolarHBondContact O-N 2.96Å; G83-L126 PolarHBondContact N-O 2.57Å; G83-P127 CarbonylContact C-O 3.34Å; G83-S128 WeakPolarHBondContact O-CA 3.47Å; G83-M129 PolarHBondContact O-N 2.89Å
84	N	98.9	Very high	98.7	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.04	C	C	.	.			trans	56.9	44.6	158.1	-175.3	-123.1	0	0	0	113.1	H86 G87 E89 R93 S128 N130	N84-H86 VanDerWaalsContact C-N 3.29Å; N84-H86 PolarHBondContact ND2-O 3.46Å; N84-G87 VanDerWaalsContact ND2-C 3.33Å; N84-G87 WeakPolarHBondContact ND2-CA 3.24Å; N84-G87 PolarHBondContact ND2-O 3.49Å; N84-E89 PolarHBondContact ND2-O 2.77Å; N84-R93 HydrophobicContact CB-CB 3.78Å; N84-S128 PolarHBondContact OD1-OG 2.83Å; N84-N130 WeakPolarHBondContact O-CB 3.21Å; N84-N130 PolarHBondContact O-N 3.3Å
85	M	98.8	Very high	98.7	Very high	3 Å²	3	3.9 Å²	3.9	2%	0.015	2%	0.02	C	C	.	.	S	Bend	trans	-71.1	-28.7	168.2	75.3	177.4	-51.7	0	0	111.9	G83 M129 N130 L159 N160 F163 H216 M289	G83-M85 VanDerWaalsContact C-N 3.32Å; G83-M85 PolarHBondContact O-N 2.96Å; M85-M129 HydrophobicContact CB-CB 4.02Å; M85-M129 HydrophobicContact CB-CG 4.2Å; M85-M129 HydrophobicContact CB-SD 3.64Å; M85-M129 HydrophobicContact CE-CE 4.47Å; M85-M129 HydrophobicContact CE-SD 4.07Å; M85-N130 WeakPolarHBondContact O-CB 3.31Å; M85-N130 PolarHBondContact O-ND2 2.88Å; M85-L159 HydrophobicContact CE-CB 4.21Å; M85-N160 HydrophobicContact CE-CB 3.45Å; M85-N160 VanDerWaalsContact CE-CB 3.45Å; M85-N160 HydrophobicContact SD-CB 3.81Å; M85-F163 HydrophobicContact CE-CE2 4.36Å; M85-H216 VanDerWaalsContact CG-CE1 3.44Å; M85-H216 WeakPolarHBondContact CG-CE1 3.45Å; M85-H216 WeakPolarHBondContact CG-NE2 3.39Å; M85-H216 VanDerWaalsContact SD-CE1 3.51Å; M85-H216 PolarHBondContact SD-NE2 3.17Å; M85-M289 HydrophobicContact CE-CB 4.14Å; M85-M289 HydrophobicContact CE-CE 4.4Å; M85-M289 HydrophobicContact CE-SD 4.48Å; M85-M289 HydrophobicContact SD-CE 4.13Å
86	H	98.8	Very high	98.7	Very high	3 Å²	3	1.8 Å²	1.8	1%	0.014	1%	0.009	C	C	.	.	S	Bend	trans	-94.3	121.6	157.2	-59.8	132.1	0	0	0	108.8	N84 N88 E89 R151 D158 H216	N84-H86 VanDerWaalsContact C-N 3.29Å; N84-H86 PolarHBondContact ND2-O 3.46Å; H86-N88 PolarHBondContact O-N 2.82Å; H86-E89 HydrophobicContact CB-CB 4.08Å; H86-E89 VanDerWaalsContact CB-CD 3.48Å; H86-E89 HydrophobicContact CB-CG 3.89Å; H86-E89 IonicContact CE1-OE2 3.43Å; H86-E89 IonicContact CG-OE1 3.94Å; H86-E89 IonicContact CG-OE2 3.79Å; H86-E89 IonicContact ND1-OE1 2.8Å; H86-E89 PolarHBondContact ND1-OE1 2.97Å; H86-E89 VanDerWaalsContact ND1-OE1 3.08Å; H86-E89 IonicContact ND1-OE2 3.63Å; H86-E89 PolarHBondContact ND1-OE2 3Å; H86-E89 PolarHBondContact O-N 2.8Å; H86-R151 VanDerWaalsContact CA-O 3.31Å; H86-R151 WeakPolarHBondContact CA-O 3.35Å; H86-R151 HydrophobicContact CB-CG 3.95Å; H86-R151 PolarHBondContact CE1-NH1 3.02Å; H86-R151 PolarHBondContact CE1-NH2 2.87Å; H86-R151 PolarHBondContact ND1-NH1 3.13Å; H86-R151 VanDerWaalsContact ND1-NH1 3.1Å; H86-R151 VanDerWaalsContact NE2-CZ 3.26Å; H86-R151 PolarHBondContact NE2-NH2 3.27Å; H86-D158 IonicContact CD2-OD1 3.95Å; H86-D158 IonicContact NE2-OD1 2.73Å; H86-D158 PolarHBondContact NE2-OD1 2.8Å; H86-D158 VanDerWaalsContact NE2-OD1 3.13Å; H86-D158 IonicContact NE2-OD2 3.87Å; H86-H216 AromaticContact CE1-CE1 3.32Å; H86-H216 PolarHBondContact CE1-CE1 3.4Å; H86-H216 AromaticContact CE1-ND1 3.63Å; H86-H216 AromaticContact ND1-CE1 3.31Å; H86-H216 PolarHBondContact ND1-CE1 3.43Å; H86-H216 VanDerWaalsContact ND1-CE1 3.31Å; H86-H216 AromaticContact ND1-ND1 3.28Å; H86-H216 PolarHBondContact ND1-ND1 3.04Å
87	G	98.4	Very high	98.7	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.007	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-28.5	-170.4	0	0	0	0	0	114.1	N84 Y134 G150 R151	N84-G87 VanDerWaalsContact ND2-C 3.33Å; N84-G87 WeakPolarHBondContact ND2-CA 3.24Å; N84-G87 PolarHBondContact ND2-O 3.49Å; G87-Y134 WeakPolarHBondContact O-CA 3.47Å; G87-G150 CarbonylContact C-O 3.25Å; G87-G150 WeakPolarHBondContact CA-O 3.43Å; G87-G150 PolarHBondContact N-O 3.45Å; G87-R151 PolarHBondContact N-O 2.95Å
88	N	98.2	Very high	98.7	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.008	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-1.8	177.5	70.7	-33.2	0	0	0	115.2	H86 V90 A137 Y147 V149 G150 R151 K310	H86-N88 PolarHBondContact O-N 2.82Å; N88-V90 PolarHBondContact O-N 2.66Å; N88-A137 HydrophobicContact CB-CB 3.71Å; N88-Y147 PolarHBondContact ND2-O 3.45Å; N88-V149 WeakPolarHBondContact CB-O 3.47Å; N88-G150 PolarHBondContact N-O 2.97Å; N88-R151 VanDerWaalsContact OD1-CA 3.25Å; N88-R151 WeakPolarHBondContact OD1-CA 3.37Å; N88-R151 WeakPolarHBondContact OD1-CB 3.38Å; N88-K310 CarbonylContact O-C 3.47Å; N88-K310 VanDerWaalsContact O-CB 3.31Å; N88-K310 WeakPolarHBondContact O-CB 3.22Å
89	E	98.3	Very high	98.7	Very high	3 Å²	3	1.6 Å²	1.6	1%	0.014	1%	0.008	C	C	.	.			trans	-95.2	84.9	173.3	-67.6	169.8	-159.5	0	0	107	N84 H86 R151 H216 G217 K310	N84-E89 PolarHBondContact ND2-O 2.77Å; H86-E89 HydrophobicContact CB-CB 4.08Å; H86-E89 VanDerWaalsContact CB-CD 3.48Å; H86-E89 HydrophobicContact CB-CG 3.89Å; H86-E89 IonicContact CE1-OE2 3.43Å; H86-E89 IonicContact CG-OE1 3.94Å; H86-E89 IonicContact CG-OE2 3.79Å; H86-E89 IonicContact ND1-OE1 2.8Å; H86-E89 PolarHBondContact ND1-OE1 2.97Å; H86-E89 VanDerWaalsContact ND1-OE1 3.08Å; H86-E89 IonicContact ND1-OE2 3.63Å; H86-E89 PolarHBondContact ND1-OE2 3Å; H86-E89 PolarHBondContact O-N 2.8Å; E89-R151 IonicContact OE1-NH1 2.68Å; E89-R151 PolarHBondContact OE1-NH1 3.29Å; E89-H216 IonicContact OE2-CE1 2.76Å; E89-H216 IonicContact OE2-CG 3.53Å; E89-H216 IonicContact OE2-ND1 2.73Å; E89-H216 PolarHBondContact OE2-ND1 3.08Å; E89-G217 VanDerWaalsContact CG-O 3.29Å; E89-G217 WeakPolarHBondContact CG-O 3.44Å; E89-G217 PolarHBondContact OE2-N 3.03Å; E89-K310 CarbonylContact C-O 3.58Å; E89-K310 WeakPolarHBondContact CA-O 3.37Å; E89-K310 HydrophobicContact CG-CB 4.1Å; E89-K310 HydrophobicContact CG-CD 3.81Å; E89-K310 HydrophobicContact CG-CG 4.15Å; E89-K310 IonicContact OE1-NZ 3.5Å; E89-K310 PolarHBondContact OE1-NZ 3.33Å
90	V	98.2	Very high	98.7	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.008	C	C	.	.			trans	-90.2	-29	-159.8	172.5	0	0	0	0	112.9	N88 G92 R93 E94 Y134 K310 F311	N88-V90 PolarHBondContact O-N 2.66Å; V90-G92 VanDerWaalsContact C-N 3.3Å; V90-G92 PolarHBondContact O-N 3.49Å; V90-R93 VanDerWaalsContact O-CB 3.27Å; V90-R93 WeakPolarHBondContact O-CB 3.11Å; V90-R93 PolarHBondContact O-N 3.47Å; V90-E94 HydrophobicContact CG1-CG 3.96Å; V90-E94 PolarHBondContact O-N 2.84Å; V90-Y134 HydrophobicContact CB-CE2 4.48Å; V90-Y134 HydrophobicContact CG1-CE2 3.88Å; V90-Y134 HydrophobicContact CG2-CD2 4.03Å; V90-Y134 HydrophobicContact CG2-CE2 3.88Å; V90-K310 PolarHBondContact N-O 2.99Å; V90-F311 HydrophobicContact CB-CD2 3.94Å; V90-F311 HydrophobicContact CB-CE2 4.15Å; V90-F311 HydrophobicContact CB-CG 4.15Å; V90-F311 HydrophobicContact CG1-CD2 4.08Å; V90-F311 HydrophobicContact CG1-CE2 3.86Å; V90-F311 HydrophobicContact CG1-CZ 4.32Å; V90-F311 HydrophobicContact CG2-CB 4.31Å; V90-F311 HydrophobicContact CG2-CD1 3.57Å; V90-F311 HydrophobicContact CG2-CD2 3.79Å; V90-F311 HydrophobicContact CG2-CE1 3.66Å; V90-F311 HydrophobicContact CG2-CE2 3.89Å; V90-F311 HydrophobicContact CG2-CG 3.63Å; V90-F311 HydrophobicContact CG2-CZ 3.82Å
91	L	98.5	Very high	98.7	Very high	2 Å²	2	2.1 Å²	2.1	1%	0.01	1%	0.01	C	C	.	.	H	α-helix	trans	-57.7	-43.9	-172	-179.5	55.9	0	0	0	112.4	R93 E94 L95 L306 P312 L317 E320	L91-R93 VanDerWaalsContact C-N 3.27Å; L91-R93 PolarHBondContact O-N 3.06Å; L91-E94 PolarHBondContact O-N 2.87Å; L91-E94 VanDerWaalsContact O-N 3.17Å; L91-L95 HydrophobicContact CD1-CD1 4.04Å; L91-L95 HydrophobicContact CD1-CD2 4.25Å; L91-L95 HydrophobicContact CD1-CG 3.82Å; L91-L95 HydrophobicContact CD2-CD1 4.32Å; L91-L95 HydrophobicContact CG-CD1 3.75Å; L91-L95 HydrophobicContact CG-CG 4.05Å; L91-L95 WeakPolarHBondContact O-CB 3.1Å; L91-L95 WeakPolarHBondContact O-CG 3.42Å; L91-L95 PolarHBondContact O-N 3.34Å; L91-L306 HydrophobicContact CD2-CB 3.78Å; L91-L306 HydrophobicContact CG-CB 4.36Å; L91-P312 HydrophobicContact CB-CG 4.13Å; L91-P312 HydrophobicContact CD1-CG 4.4Å; L91-L317 HydrophobicContact CD1-CD2 4.11Å; L91-E320 HydrophobicContact CD1-CB 3.51Å; L91-E320 HydrophobicContact CD1-CG 3.89Å; L91-E320 HydrophobicContact CD2-CB 3.93Å; L91-E320 HydrophobicContact CD2-CG 3.83Å; L91-E320 WeakPolarHBondContact CD2-OE2 3.3Å; L91-E320 HydrophobicContact CG-CB 4.36Å
92	G	98.8	Very high	98.7	Very high	1 Å²	1	3.5 Å²	3.5	1%	0.01	2%	0.016	C	C	.	.	H	α-helix	trans	-57.4	-36.8	176.1	0	0	0	0	0	113.8	V90 L96	V90-G92 VanDerWaalsContact C-N 3.3Å; V90-G92 PolarHBondContact O-N 3.49Å; G92-L96 WeakPolarHBondContact O-CB 3.47Å; G92-L96 VanDerWaalsContact O-CG 3.24Å; G92-L96 WeakPolarHBondContact O-CG 3.44Å; G92-L96 PolarHBondContact O-N 3.4Å; G92-L96 VanDerWaalsContact O-N 3.12Å
93	R	98.8	Very high	98.7	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-60.3	-51.1	175.4	178.6	-170.1	178.3	96.1	-3	111.3	H26 L31 N84 V90 L91 L96 L97 P127 S128	H26-R93 VanDerWaalsContact O-CZ 3.22Å; H26-R93 PolarHBondContact O-NE 2.68Å; H26-R93 PolarHBondContact O-NH2 2.95Å; L31-R93 HydrophobicContact CD1-CG 4.21Å; L31-R93 VanDerWaalsContact CD1-NH2 3.27Å; N84-R93 HydrophobicContact CB-CB 3.78Å; V90-R93 VanDerWaalsContact O-CB 3.27Å; V90-R93 WeakPolarHBondContact O-CB 3.11Å; V90-R93 PolarHBondContact O-N 3.47Å; L91-R93 VanDerWaalsContact C-N 3.27Å; L91-R93 PolarHBondContact O-N 3.06Å; R93-L96 PolarHBondContact O-N 2.76Å; R93-L97 WeakPolarHBondContact O-CG 3.49Å; R93-L97 PolarHBondContact O-N 2.9Å; R93-P127 VanDerWaalsContact CA-O 3.32Å; R93-P127 WeakPolarHBondContact CA-O 3.17Å; R93-S128 PolarHBondContact NH1-OG 3.12Å
94	E	98.8	Very high	98.7	Very high	5 Å²	5	3.4 Å²	3.4	2%	0.023	2%	0.016	C	C	.	.	H	α-helix	trans	-70.9	-39	-175	-54.6	-56.2	160.3	0	0	110.9	H25 H26 V90 L91 L96 L97 Q98 L317	H25-E94 WeakPolarHBondContact CA-OE1 3.44Å; H26-E94 IonicContact CE1-OE2 3.57Å; H26-E94 IonicContact CG-OE2 3.86Å; H26-E94 PolarHBondContact N-OE1 3.22Å; H26-E94 PolarHBondContact N-OE2 3.19Å; H26-E94 IonicContact ND1-OE2 2.77Å; H26-E94 PolarHBondContact ND1-OE2 2.79Å; V90-E94 HydrophobicContact CG1-CG 3.96Å; V90-E94 PolarHBondContact O-N 2.84Å; L91-E94 PolarHBondContact O-N 2.87Å; L91-E94 VanDerWaalsContact O-N 3.17Å; E94-L96 VanDerWaalsContact C-N 3.3Å; E94-L96 PolarHBondContact O-N 2.89Å; E94-L97 PolarHBondContact O-N 3.29Å; E94-Q98 VanDerWaalsContact O-CG 3.32Å; E94-Q98 WeakPolarHBondContact O-CG 3.17Å; E94-Q98 PolarHBondContact O-N 3.04Å; E94-L317 HydrophobicContact CB-CD2 4.3Å; E94-L317 HydrophobicContact CG-CD1 4.41Å; E94-L317 HydrophobicContact CG-CD2 4.3Å
95	L	98.9	Very high	98.6	Very high	3 Å²	3	6.6 Å²	6.6	2%	0.016	3%	0.031	C	C	.	.	H	α-helix	trans	-60.3	-38.4	175	-71.3	176.2	0	0	0	112.6	L91 Q98 L99 L306 W321 N324 L328	L91-L95 HydrophobicContact CD1-CD1 4.04Å; L91-L95 HydrophobicContact CD1-CD2 4.25Å; L91-L95 HydrophobicContact CD1-CG 3.82Å; L91-L95 HydrophobicContact CD2-CD1 4.32Å; L91-L95 HydrophobicContact CG-CD1 3.75Å; L91-L95 HydrophobicContact CG-CG 4.05Å; L91-L95 WeakPolarHBondContact O-CB 3.1Å; L91-L95 WeakPolarHBondContact O-CG 3.42Å; L91-L95 PolarHBondContact O-N 3.34Å; L95-Q98 PolarHBondContact O-N 3.28Å; L95-L99 VanDerWaalsContact O-CB 3.28Å; L95-L99 WeakPolarHBondContact O-CB 3.24Å; L95-L99 PolarHBondContact O-N 2.89Å; L95-L306 HydrophobicContact CD1-CD1 3.55Å; L95-W321 HydrophobicContact CD2-CB 4.11Å; L95-W321 HydrophobicContact CD2-CE3 3.95Å; L95-N324 HydrophobicContact CD1-CB 3.93Å; L95-N324 HydrophobicContact CD2-CB 4.1Å; L95-L328 HydrophobicContact CB-CD1 4.36Å
96	L	98.9	Very high	98.6	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-72.2	-29.2	178.1	-69.5	-177.8	0	0	0	113.1	Y81 G92 R93 E94 L99 S100 I125 P127 L215	Y81-L96 HydrophobicContact CD2-CD2 3.97Å; Y81-L96 HydrophobicContact CG-CD2 3.84Å; G92-L96 WeakPolarHBondContact O-CB 3.47Å; G92-L96 VanDerWaalsContact O-CG 3.24Å; G92-L96 WeakPolarHBondContact O-CG 3.44Å; G92-L96 PolarHBondContact O-N 3.4Å; G92-L96 VanDerWaalsContact O-N 3.12Å; R93-L96 PolarHBondContact O-N 2.76Å; E94-L96 VanDerWaalsContact C-N 3.3Å; E94-L96 PolarHBondContact O-N 2.89Å; L96-L99 HydrophobicContact CD2-CD2 4.18Å; L96-S100 PolarHBondContact O-N 3.03Å; L96-S100 VanDerWaalsContact O-N 3.1Å; L96-S100 PolarHBondContact O-OG 3.08Å; L96-I125 HydrophobicContact CB-CG2 3.66Å; L96-I125 HydrophobicContact CD1-CG2 4.19Å; L96-I125 HydrophobicContact CD2-CG2 4.06Å; L96-I125 HydrophobicContact CG-CG2 4.15Å; L96-P127 HydrophobicContact CB-CB 4.11Å; L96-P127 HydrophobicContact CB-CG 4.48Å; L96-L215 HydrophobicContact CD1-CD1 4.45Å; L96-L215 HydrophobicContact CD1-CD2 4.33Å; L96-L215 HydrophobicContact CD2-CD2 4.03Å; L96-L215 HydrophobicContact CG-CD2 3.99Å
97	L	98.8	Very high	98.6	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-69.7	-43.8	169.1	-64.6	176.9	0	0	0	111.5	H26 L31 T34 L35 R93 E94 S100 E101 P127	H26-L97 HydrophobicContact CB-CD1 3.72Å; L31-L97 HydrophobicContact CB-CD1 4.29Å; L31-L97 HydrophobicContact CD1-CD1 4.39Å; L31-L97 HydrophobicContact CG-CD1 4.2Å; L31-L97 HydrophobicContact CG-CD2 4.03Å; T34-L97 HydrophobicContact CG2-CB 4.45Å; T34-L97 HydrophobicContact CG2-CD2 4.31Å; L35-L97 HydrophobicContact CD2-CD2 3.68Å; L35-L97 HydrophobicContact CG-CD2 4.15Å; R93-L97 WeakPolarHBondContact O-CG 3.49Å; R93-L97 PolarHBondContact O-N 2.9Å; E94-L97 PolarHBondContact O-N 3.29Å; L97-S100 WeakPolarHBondContact O-CB 3.23Å; L97-S100 PolarHBondContact O-N 3.4Å; L97-E101 PolarHBondContact O-N 2.77Å; L97-E101 VanDerWaalsContact O-N 3.07Å; L97-P127 HydrophobicContact CD2-CB 4.05Å; L97-P127 HydrophobicContact CD2-CG 3.87Å; L97-P127 HydrophobicContact CG-CB 4.27Å
98	Q	98.6	Very high	98.6	Very high	9 Å²	9	16.7 Å²	16.7	4%	0.042	7%	0.072	C	C	.	.	H	α-helix	trans	-64.5	-39.2	176.1	-65.8	-61.3	-19.3	0	0	112.1	F23 E94 L95 S100 E101 F102 W321	F23-Q98 HydrophobicContact CD1-CG 4.33Å; F23-Q98 HydrophobicContact CE1-CG 4.01Å; E94-Q98 VanDerWaalsContact O-CG 3.32Å; E94-Q98 WeakPolarHBondContact O-CG 3.17Å; E94-Q98 PolarHBondContact O-N 3.04Å; L95-Q98 PolarHBondContact O-N 3.28Å; Q98-S100 VanDerWaalsContact C-N 3.3Å; Q98-S100 PolarHBondContact O-N 3.19Å; Q98-E101 PolarHBondContact O-N 2.74Å; Q98-F102 VanDerWaalsContact O-CB 3.25Å; Q98-F102 WeakPolarHBondContact O-CB 3.34Å; Q98-F102 PolarHBondContact O-N 2.96Å; Q98-W321 HydrophobicContact CB-CD2 3.87Å; Q98-W321 HydrophobicContact CB-CE3 3.6Å; Q98-W321 HydrophobicContact CB-CG 4.46Å; Q98-W321 HydrophobicContact CB-CH2 4.38Å; Q98-W321 HydrophobicContact CB-CZ3 3.88Å
99	L	98.9	Very high	98.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.9	-41.1	173.3	-179.3	62	0	0	0	111.3	Y81 L95 L96 F102 L103 I125 W321 L328 I329	Y81-L99 HydrophobicContact CD2-CD2 3.86Å; Y81-L99 HydrophobicContact CE2-CD2 3.89Å; L95-L99 VanDerWaalsContact O-CB 3.28Å; L95-L99 WeakPolarHBondContact O-CB 3.24Å; L95-L99 PolarHBondContact O-N 2.89Å; L96-L99 HydrophobicContact CD2-CD2 4.18Å; L99-F102 HydrophobicContact CD1-CD1 4.34Å; L99-F102 PolarHBondContact O-N 2.67Å; L99-L103 HydrophobicContact CD1-CD1 4.28Å; L99-L103 HydrophobicContact CD1-CD2 4.43Å; L99-L103 HydrophobicContact CD1-CG 4.06Å; L99-L103 HydrophobicContact CG-CD1 4.11Å; L99-L103 HydrophobicContact CG-CG 4.33Å; L99-L103 WeakPolarHBondContact O-CB 3.31Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.38Å; L99-L103 PolarHBondContact O-N 3.22Å; L99-I125 HydrophobicContact CD2-CD1 3.95Å; L99-I125 HydrophobicContact CG-CD1 4.13Å; L99-W321 HydrophobicContact CB-CH2 4.36Å; L99-W321 HydrophobicContact CB-CZ3 4.14Å; L99-W321 HydrophobicContact CD1-CH2 4.41Å; L99-L328 HydrophobicContact CD2-CB 4.47Å; L99-I329 HydrophobicContact CD1-CD1 3.78Å
100	S	98.8	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.8	-45.5	177.5	-59.8	0	0	0	0	112	V38 F65 L96 L97 Q98 C104	V38-S100 WeakPolarHBondContact CG1-O 3.22Å; F65-S100 WeakPolarHBondContact CZ-O 3.4Å; L96-S100 PolarHBondContact O-N 3.03Å; L96-S100 VanDerWaalsContact O-N 3.1Å; L96-S100 PolarHBondContact O-OG 3.08Å; L97-S100 WeakPolarHBondContact O-CB 3.23Å; L97-S100 PolarHBondContact O-N 3.4Å; Q98-S100 VanDerWaalsContact C-N 3.3Å; Q98-S100 PolarHBondContact O-N 3.19Å; S100-C104 PolarHBondContact O-N 3.26Å
101	E	98.4	Very high	98.6	Very high	14 Å²	14	33.8 Å²	33.8	7%	0.065	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-46.1	174.2	-70.2	-170.5	123.2	0	0	110.9	T34 K37 V38 L97 Q98 L103 C104 E105	T34-E101 HydrophobicContact CG2-CG 4.44Å; K37-E101 IonicContact NZ-OE1 3.21Å; K37-E101 PolarHBondContact NZ-OE1 2.98Å; V38-E101 HydrophobicContact CG2-CB 4.45Å; V38-E101 HydrophobicContact CG2-CG 3.63Å; L97-E101 PolarHBondContact O-N 2.77Å; L97-E101 VanDerWaalsContact O-N 3.07Å; Q98-E101 PolarHBondContact O-N 2.74Å; E101-L103 PolarHBondContact O-N 3.22Å; E101-C104 PolarHBondContact O-N 3.37Å; E101-E105 WeakPolarHBondContact O-CB 3.36Å; E101-E105 VanDerWaalsContact O-CG 3.3Å; E101-E105 WeakPolarHBondContact O-CG 3.3Å; E101-E105 PolarHBondContact O-N 3.26Å
102	F	98.6	Very high	98.6	Very high	29 Å²	29	38.9 Å²	38.9	13%	0.127	17%	0.172	C	C	.	.	H	α-helix	trans	-59.3	-46.4	179.9	174.5	-100.6	0	0	0	113.4	Q98 L99 C104 E105 E106 I114 W321 R325 I329	Q98-F102 VanDerWaalsContact O-CB 3.25Å; Q98-F102 WeakPolarHBondContact O-CB 3.34Å; Q98-F102 PolarHBondContact O-N 2.96Å; L99-F102 HydrophobicContact CD1-CD1 4.34Å; L99-F102 PolarHBondContact O-N 2.67Å; F102-C104 PolarHBondContact O-N 3.02Å; F102-E105 PolarHBondContact O-N 2.89Å; F102-E106 HydrophobicContact CD2-CG 3.76Å; F102-E106 HydrophobicContact CE1-CG 4.2Å; F102-E106 HydrophobicContact CE2-CG 3.36Å; F102-E106 HydrophobicContact CG-CG 4.34Å; F102-E106 HydrophobicContact CZ-CG 3.62Å; F102-E106 WeakPolarHBondContact O-CB 3.38Å; F102-E106 WeakPolarHBondContact O-CG 3.31Å; F102-E106 PolarHBondContact O-N 3.37Å; F102-I114 HydrophobicContact CE1-CD1 3.91Å; F102-I114 HydrophobicContact CE1-CG1 4.31Å; F102-W321 HydrophobicContact CB-CH2 3.71Å; F102-W321 HydrophobicContact CB-CZ2 3.64Å; F102-W321 HydrophobicContact CD1-CH2 4.27Å; F102-W321 HydrophobicContact CD1-CZ2 4.44Å; F102-W321 AromaticContact CD2-CZ2 3.94Å; F102-W321 HydrophobicContact CD2-CZ2 3.94Å; F102-W321 AromaticContact CG-CH2 3.94Å; F102-W321 HydrophobicContact CG-CH2 3.94Å; F102-W321 AromaticContact CG-CZ2 3.75Å; F102-W321 HydrophobicContact CG-CZ2 3.75Å; F102-R325 HydrophobicContact CE1-CG 4.41Å; F102-R325 HydrophobicContact CE2-CG 4.44Å; F102-R325 HydrophobicContact CZ-CG 4.29Å; F102-I329 HydrophobicContact CD1-CD1 4.26Å; F102-I329 HydrophobicContact CE1-CD1 3.86Å; F102-I329 HydrophobicContact CE1-CG1 4.02Å
103	L	98.8	Very high	98.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-44.8	179.1	-72	174.6	0	0	0	111.2	F65 L99 E101 F107 I114 I118 I125 I329	F65-L103 HydrophobicContact CD1-CB 4.08Å; F65-L103 HydrophobicContact CD1-CD1 4.45Å; F65-L103 HydrophobicContact CD2-CD1 4.1Å; F65-L103 HydrophobicContact CE1-CB 3.76Å; F65-L103 HydrophobicContact CE2-CD1 4.22Å; F65-L103 HydrophobicContact CG-CD1 4.23Å; F65-L103 HydrophobicContact CZ-CB 4.09Å; F65-L103 HydrophobicContact CZ-CD1 4.45Å; L99-L103 HydrophobicContact CD1-CD1 4.28Å; L99-L103 HydrophobicContact CD1-CD2 4.43Å; L99-L103 HydrophobicContact CD1-CG 4.06Å; L99-L103 HydrophobicContact CG-CD1 4.11Å; L99-L103 HydrophobicContact CG-CG 4.33Å; L99-L103 WeakPolarHBondContact O-CB 3.31Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.38Å; L99-L103 PolarHBondContact O-N 3.22Å; E101-L103 PolarHBondContact O-N 3.22Å; L103-F107 WeakPolarHBondContact O-CB 3.48Å; L103-F107 PolarHBondContact O-N 2.81Å; L103-I114 HydrophobicContact CD2-CD1 4.21Å; L103-I114 HydrophobicContact CD2-CG2 3.9Å; L103-I118 HydrophobicContact CB-CD1 4.41Å; L103-I125 HydrophobicContact CD1-CD1 4.11Å; L103-I329 HydrophobicContact CD2-CD1 3.99Å
104	C	98.6	Very high	98.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.4	-44.5	176.5	173	0	0	0	0	112.2	V38 C42 F65 S100 E101 F102 R108	V38-C104 HydrophobicContact CG1-CB 3.88Å; C42-C104 HydrophobicContact CB-CB 3.88Å; C42-C104 WeakPolarHBondContact CB-SG 3.35Å; C42-C104 WeakPolarHBondContact SG-CA 3.3Å; C42-C104 WeakPolarHBondContact SG-CB 3.23Å; C42-C104 PolarHBondContact SG-O 2.79Å; C42-C104 VanDerWaalsContact SG-O 3.37Å; C42-C104 CovalentContact SG-SG 2.04Å; C42-C104 PolarHBondContact SG-SG 3.42Å; F65-C104 HydrophobicContact CE1-CB 4.33Å; S100-C104 PolarHBondContact O-N 3.26Å; E101-C104 PolarHBondContact O-N 3.37Å; F102-C104 PolarHBondContact O-N 3.02Å; C104-R108 WeakPolarHBondContact O-CB 3.36Å; C104-R108 VanDerWaalsContact O-CG 3.24Å; C104-R108 WeakPolarHBondContact O-CG 3.5Å; C104-R108 PolarHBondContact O-N 3.25Å
105	E	98.3	Very high	98.5	Very high	66 Å²	66	43.8 Å²	43.8	31%	0.308	19%	0.192	S	C	.	.	H	α-helix	trans	-62.8	-49	178.7	-74.7	178.6	176.1	0	0	111.9	E101 F102 F107 R108 N109	E101-E105 WeakPolarHBondContact O-CB 3.36Å; E101-E105 VanDerWaalsContact O-CG 3.3Å; E101-E105 WeakPolarHBondContact O-CG 3.3Å; E101-E105 PolarHBondContact O-N 3.26Å; F102-E105 PolarHBondContact O-N 2.89Å; E105-F107 PolarHBondContact O-N 2.87Å; E105-R108 CarbonylContact O-C 3.54Å; E105-R108 PolarHBondContact O-N 3.11Å; E105-N109 WeakPolarHBondContact O-CB 3.28Å; E105-N109 PolarHBondContact O-N 2.92Å; E105-N109 PolarHBondContact O-ND2 3.02Å
106	E	98.5	Very high	98.5	Very high	42 Å²	42	50.9 Å²	50.9	20%	0.196	22%	0.219	C	C	.	.	H	α-helix	trans	-70.6	-32.1	-178.1	-72.4	-58.3	105.2	0	0	112.9	F102 N109 R110 N111 I114	F102-E106 HydrophobicContact CD2-CG 3.76Å; F102-E106 HydrophobicContact CE1-CG 4.2Å; F102-E106 HydrophobicContact CE2-CG 3.36Å; F102-E106 HydrophobicContact CG-CG 4.34Å; F102-E106 HydrophobicContact CZ-CG 3.62Å; F102-E106 WeakPolarHBondContact O-CB 3.38Å; F102-E106 WeakPolarHBondContact O-CG 3.31Å; F102-E106 PolarHBondContact O-N 3.37Å; E106-N109 CarbonylContact O-C 3.47Å; E106-N109 PolarHBondContact O-N 3.04Å; E106-N109 PolarHBondContact OE1-ND2 2.99Å; E106-R110 PolarHBondContact O-N 3.06Å; E106-R110 VanDerWaalsContact O-N 3.11Å; E106-N111 HydrophobicContact CB-CB 3.96Å; E106-N111 WeakPolarHBondContact O-CB 3.03Å; E106-N111 PolarHBondContact O-N 3.11Å; E106-N111 WeakPolarHBondContact OE2-CB 3.44Å; E106-N111 PolarHBondContact OE2-ND2 3.49Å; E106-I114 HydrophobicContact CB-CB 4.03Å; E106-I114 HydrophobicContact CB-CG1 3.69Å; E106-I114 HydrophobicContact CB-CG2 4.12Å; E106-I114 HydrophobicContact CG-CG1 4.38Å
107	F	98.2	Very high	98.5	Very high	51 Å²	51	51.2 Å²	51.2	22%	0.224	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-48.6	168.2	-179.2	-90.9	0	0	0	111	I45 L103 E105 N109 R110 L115 I118	I45-F107 HydrophobicContact CD1-CB 3.81Å; I45-F107 HydrophobicContact CD1-CD1 3.53Å; I45-F107 HydrophobicContact CD1-CD2 3.73Å; I45-F107 HydrophobicContact CD1-CE1 4Å; I45-F107 HydrophobicContact CD1-CE2 4.18Å; I45-F107 HydrophobicContact CD1-CG 3.4Å; I45-F107 VanDerWaalsContact CD1-CG 3.4Å; I45-F107 HydrophobicContact CD1-CZ 4.32Å; I45-F107 HydrophobicContact CG1-CD1 4.21Å; I45-F107 HydrophobicContact CG1-CE1 4.25Å; I45-F107 HydrophobicContact CG1-CG 4.47Å; I45-F107 HydrophobicContact CG2-CD1 4.48Å; I45-F107 HydrophobicContact CG2-CD2 4.41Å; I45-F107 HydrophobicContact CG2-CE1 3.8Å; I45-F107 HydrophobicContact CG2-CE2 3.71Å; I45-F107 HydrophobicContact CG2-CZ 3.38Å; L103-F107 WeakPolarHBondContact O-CB 3.48Å; L103-F107 PolarHBondContact O-N 2.81Å; E105-F107 PolarHBondContact O-N 2.87Å; F107-N109 VanDerWaalsContact C-N 3.29Å; F107-N109 PolarHBondContact O-N 3.14Å; F107-R110 WeakPolarHBondContact O-CA 3.48Å; F107-R110 PolarHBondContact O-N 2.81Å; F107-L115 HydrophobicContact CD2-CD2 3.42Å; F107-L115 VanDerWaalsContact CD2-CD2 3.42Å; F107-L115 HydrophobicContact CD2-CG 4.45Å; F107-L115 HydrophobicContact CE2-CD2 3.39Å; F107-L115 HydrophobicContact CG-CD2 4.17Å; F107-L115 HydrophobicContact CZ-CD2 4.11Å; F107-I118 HydrophobicContact CB-CD1 4.18Å; F107-I118 HydrophobicContact CD2-CD1 4.02Å; F107-I118 HydrophobicContact CG-CD1 4.45Å
108	R	97.9	Very high	98.5	Very high	125 Å²	125	51.2 Å²	51.2	47%	0.472	22%	0.221	S	C	.	.	H	α-helix	trans	-65.4	-32	177.5	-70	173.1	68.3	-150.9	3.2	112.7	C42 C104 E105 R110	C42-R108 VanDerWaalsContact SG-CD 3.56Å; C104-R108 WeakPolarHBondContact O-CB 3.36Å; C104-R108 VanDerWaalsContact O-CG 3.24Å; C104-R108 WeakPolarHBondContact O-CG 3.5Å; C104-R108 PolarHBondContact O-N 3.25Å; E105-R108 CarbonylContact O-C 3.54Å; E105-R108 PolarHBondContact O-N 3.11Å; R108-R110 PolarHBondContact O-N 3.27Å
109	N	98.1	Very high	98.5	Very high	109 Å²	109	55 Å²	55	58%	0.583	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-3.1	173.1	-65.1	-23.2	0	0	0	112.9	E105 E106 F107 N111	E105-N109 WeakPolarHBondContact O-CB 3.28Å; E105-N109 PolarHBondContact O-N 2.92Å; E105-N109 PolarHBondContact O-ND2 3.02Å; E106-N109 CarbonylContact O-C 3.47Å; E106-N109 PolarHBondContact O-N 3.04Å; E106-N109 PolarHBondContact OE1-ND2 2.99Å; F107-N109 VanDerWaalsContact C-N 3.29Å; F107-N109 PolarHBondContact O-N 3.14Å; N109-N111 VanDerWaalsContact C-N 3.29Å; N109-N111 PolarHBondContact O-N 2.85Å
110	R	97.9	Very high	98.5	Very high	198 Å²	198	59.2 Å²	59.2	75%	0.747	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	34.9	-178	-56.5	-175.2	172.5	-163.6	-3.8	113.9	E106 F107 R108 Q112 L115	E106-R110 PolarHBondContact O-N 3.06Å; E106-R110 VanDerWaalsContact O-N 3.11Å; F107-R110 WeakPolarHBondContact O-CA 3.48Å; F107-R110 PolarHBondContact O-N 2.81Å; R108-R110 PolarHBondContact O-N 3.27Å; R110-Q112 PolarHBondContact O-N 3.28Å; R110-Q112 VanDerWaalsContact O-N 3.16Å; R110-Q112 PolarHBondContact O-NE2 3.07Å; R110-L115 HydrophobicContact CB-CD1 4.13Å
111	N	98.6	Very high	98.5	Very high	55 Å²	55	59.2 Å²	59.2	29%	0.294	26%	0.261	S	S	.	.			trans	-62.2	115.9	170.8	-175.4	-41	0	0	0	109.3	E106 N109 R113 I114 L115	E106-N111 HydrophobicContact CB-CB 3.96Å; E106-N111 WeakPolarHBondContact O-CB 3.03Å; E106-N111 PolarHBondContact O-N 3.11Å; E106-N111 WeakPolarHBondContact OE2-CB 3.44Å; E106-N111 PolarHBondContact OE2-ND2 3.49Å; N109-N111 VanDerWaalsContact C-N 3.29Å; N109-N111 PolarHBondContact O-N 2.85Å; N111-R113 VanDerWaalsContact C-N 3.25Å; N111-R113 PolarHBondContact O-N 3.24Å; N111-R113 WeakPolarHBondContact OD1-CB 3.45Å; N111-R113 PolarHBondContact OD1-N 3.43Å; N111-I114 HydrophobicContact CB-CB 4.35Å; N111-I114 HydrophobicContact CB-CG1 4.32Å; N111-I114 PolarHBondContact O-N 3.16Å; N111-L115 WeakPolarHBondContact O-CB 3.26Å; N111-L115 WeakPolarHBondContact O-CG 3.47Å; N111-L115 PolarHBondContact O-N 3.29Å
112	Q	98.6	Very high	98.5	Very high	110 Å²	110	59.1 Å²	59.1	51%	0.514	26%	0.26	S	S	.	.	H	α-helix	trans	-62.9	-30	-173.3	-65	-59.7	-59.4	0	0	113.6	R110 L115 R116	R110-Q112 PolarHBondContact O-N 3.28Å; R110-Q112 VanDerWaalsContact O-N 3.16Å; R110-Q112 PolarHBondContact O-NE2 3.07Å; Q112-L115 VanDerWaalsContact NE2-CD1 3.35Å; Q112-R116 WeakPolarHBondContact O-CG 3.32Å; Q112-R116 PolarHBondContact O-N 3.31Å
113	R	98.6	Very high	98.5	Very high	81 Å²	81	57.7 Å²	57.7	31%	0.306	25%	0.254	S	S	.	.	H	α-helix	trans	-66.5	-48.1	176.6	-175.4	-176.8	-177.9	-174.6	3.7	110.5	N111 L117 E326 I329 Q330 E333	N111-R113 VanDerWaalsContact C-N 3.25Å; N111-R113 PolarHBondContact O-N 3.24Å; N111-R113 WeakPolarHBondContact OD1-CB 3.45Å; N111-R113 PolarHBondContact OD1-N 3.43Å; R113-L117 WeakPolarHBondContact O-CB 3.41Å; R113-L117 PolarHBondContact O-N 2.99Å; R113-E326 IonicContact CZ-OE1 3.38Å; R113-E326 VanDerWaalsContact CZ-OE1 3.32Å; R113-E326 IonicContact CZ-OE2 3.02Å; R113-E326 VanDerWaalsContact NH1-CD 3.27Å; R113-E326 IonicContact NH1-OE1 3.57Å; R113-E326 PolarHBondContact NH1-OE1 3.19Å; R113-E326 IonicContact NH1-OE2 2.86Å; R113-E326 PolarHBondContact NH1-OE2 3.12Å; R113-E326 IonicContact NH2-OE1 2.67Å; R113-E326 PolarHBondContact NH2-OE1 3.24Å; R113-E326 IonicContact NH2-OE2 3.33Å; R113-I329 VanDerWaalsContact CZ-CG2 3.49Å; R113-Q330 VanDerWaalsContact NH2-CG 3.35Å; R113-E333 WeakPolarHBondContact CG-OE1 3.44Å; R113-E333 IonicContact CZ-OE1 2.84Å; R113-E333 IonicContact CZ-OE2 3.86Å; R113-E333 IonicContact NE-OE1 3.32Å; R113-E333 PolarHBondContact NE-OE1 2.88Å; R113-E333 IonicContact NE-OE2 3.67Å; R113-E333 IonicContact NH2-OE1 2.89Å; R113-E333 IonicContact NH2-OE2 3.97Å; R113-E333 PolarHBondContact NH2-OE2 3.11Å
114	I	98.8	Very high	98.5	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.015	25%	0.254	C	S	.	.	H	α-helix	trans	-72.8	-36.4	-178.4	-57.3	-52.1	0	0	0	111.8	F102 L103 E106 N111 L117 I118 I329	F102-I114 HydrophobicContact CE1-CD1 3.91Å; F102-I114 HydrophobicContact CE1-CG1 4.31Å; L103-I114 HydrophobicContact CD2-CD1 4.21Å; L103-I114 HydrophobicContact CD2-CG2 3.9Å; E106-I114 HydrophobicContact CB-CB 4.03Å; E106-I114 HydrophobicContact CB-CG1 3.69Å; E106-I114 HydrophobicContact CB-CG2 4.12Å; E106-I114 HydrophobicContact CG-CG1 4.38Å; N111-I114 HydrophobicContact CB-CB 4.35Å; N111-I114 HydrophobicContact CB-CG1 4.32Å; N111-I114 PolarHBondContact O-N 3.16Å; I114-L117 HydrophobicContact CD1-CD2 4.42Å; I114-L117 PolarHBondContact O-N 3.02Å; I114-I118 HydrophobicContact CG2-CD1 3.78Å; I114-I118 HydrophobicContact CG2-CG1 4.38Å; I114-I118 WeakPolarHBondContact O-CG1 3.2Å; I114-I118 PolarHBondContact O-N 2.84Å; I114-I329 HydrophobicContact CD1-CD1 3.93Å; I114-I329 HydrophobicContact CD1-CG1 4.46Å; I114-I329 HydrophobicContact CD1-CG2 4.31Å
115	L	98.6	Very high	98.5	Very high	25 Å²	25	57.7 Å²	57.7	13%	0.131	25%	0.254	C	S	.	.	H	α-helix	trans	-56.4	-54.5	172.7	-76.7	170	0	0	0	111.3	F107 R110 N111 Q112 L117 I118 Q119	F107-L115 HydrophobicContact CD2-CD2 3.42Å; F107-L115 VanDerWaalsContact CD2-CD2 3.42Å; F107-L115 HydrophobicContact CD2-CG 4.45Å; F107-L115 HydrophobicContact CE2-CD2 3.39Å; F107-L115 HydrophobicContact CG-CD2 4.17Å; F107-L115 HydrophobicContact CZ-CD2 4.11Å; R110-L115 HydrophobicContact CB-CD1 4.13Å; N111-L115 WeakPolarHBondContact O-CB 3.26Å; N111-L115 WeakPolarHBondContact O-CG 3.47Å; N111-L115 PolarHBondContact O-N 3.29Å; Q112-L115 VanDerWaalsContact NE2-CD1 3.35Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 2.98Å; L115-I118 PolarHBondContact O-N 3.4Å; L115-Q119 WeakPolarHBondContact O-CB 3.42Å; L115-Q119 WeakPolarHBondContact O-CG 3.46Å; L115-Q119 PolarHBondContact O-N 3.24Å
116	R	98.4	Very high	98.6	Very high	151 Å²	151	54.6 Å²	54.6	57%	0.57	24%	0.239	S	C	*	.	H	α-helix	trans	-61.7	-42.7	178	-68.1	176.5	-159.4	168.3	4.2	111.8	Q112 I118 Q119 D120	Q112-R116 WeakPolarHBondContact O-CG 3.32Å; Q112-R116 PolarHBondContact O-N 3.31Å; R116-I118 VanDerWaalsContact C-N 3.29Å; R116-I118 PolarHBondContact O-N 2.84Å; R116-Q119 PolarHBondContact O-N 3.09Å; R116-D120 VanDerWaalsContact O-CB 3.27Å; R116-D120 WeakPolarHBondContact O-CB 3.08Å; R116-D120 PolarHBondContact O-N 3.28Å
117	L	98.8	Very high	98.6	Very high	7 Å²	7	52.6 Å²	52.6	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-57	-43.6	178.5	-178.2	62.2	0	0	0	111.9	R113 I114 L115 T121 I123 I329 L332 E333	R113-L117 WeakPolarHBondContact O-CB 3.41Å; R113-L117 PolarHBondContact O-N 2.99Å; I114-L117 HydrophobicContact CD1-CD2 4.42Å; I114-L117 PolarHBondContact O-N 3.02Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 2.98Å; L117-T121 WeakPolarHBondContact O-CB 3.45Å; L117-T121 PolarHBondContact O-N 3.49Å; L117-T121 VanDerWaalsContact O-N 3.17Å; L117-T121 PolarHBondContact O-OG1 3.26Å; L117-I123 HydrophobicContact CD2-CD1 4.38Å; L117-I123 HydrophobicContact CG-CD1 4.02Å; L117-I329 HydrophobicContact CD2-CD1 4.27Å; L117-I329 HydrophobicContact CD2-CG2 4.17Å; L117-L332 HydrophobicContact CD1-CB 4.16Å; L117-L332 HydrophobicContact CD2-CB 4.4Å; L117-L332 HydrophobicContact CD2-CD1 4.27Å; L117-E333 HydrophobicContact CD1-CG 4.14Å
118	I	98.8	Very high	98.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-75.9	-33.1	179.5	-68.1	172.4	0	0	0	112.5	I45 F65 S66 D67 L103 F107 I114 L115 R116	I45-I118 HydrophobicContact CB-CG2 4.28Å; I45-I118 HydrophobicContact CD1-CD1 3.95Å; I45-I118 HydrophobicContact CG2-CG2 4.47Å; F65-I118 HydrophobicContact CD1-CD1 4.25Å; S66-I118 WeakPolarHBondContact CA-O 3.18Å; D67-I118 PolarHBondContact N-O 3.21Å; L103-I118 HydrophobicContact CB-CD1 4.41Å; F107-I118 HydrophobicContact CB-CD1 4.18Å; F107-I118 HydrophobicContact CD2-CD1 4.02Å; F107-I118 HydrophobicContact CG-CD1 4.45Å; I114-I118 HydrophobicContact CG2-CD1 3.78Å; I114-I118 HydrophobicContact CG2-CG1 4.38Å; I114-I118 WeakPolarHBondContact O-CG1 3.2Å; I114-I118 PolarHBondContact O-N 2.84Å; L115-I118 PolarHBondContact O-N 3.4Å; R116-I118 VanDerWaalsContact C-N 3.29Å; R116-I118 PolarHBondContact O-N 2.84Å
119	Q	98.4	Very high	98.7	Very high	90 Å²	90	44.6 Å²	44.6	42%	0.421	20%	0.199	S	C	.	.	H	α-helix	trans	-75.8	-31.1	178.7	-72.6	176.1	-46.2	0	0	113.3	D67 L115 R116	D67-Q119 HydrophobicContact CB-CG 4.15Å; L115-Q119 WeakPolarHBondContact O-CB 3.42Å; L115-Q119 WeakPolarHBondContact O-CG 3.46Å; L115-Q119 PolarHBondContact O-N 3.24Å; R116-Q119 PolarHBondContact O-N 3.09Å
120	D	98.5	Very high	98.7	Very high	88 Å²	88	39.4 Å²	39.4	47%	0.471	17%	0.172	S	C	.	.	H	α-helix	trans	-100.3	-4.2	-176.1	-61.4	-39.4	0	0	0	111.7	P77 R116 H336	P77-D120 WeakPolarHBondContact CD-O 3.5Å; R116-D120 VanDerWaalsContact O-CB 3.27Å; R116-D120 WeakPolarHBondContact O-CB 3.08Å; R116-D120 PolarHBondContact O-N 3.28Å; D120-H336 PolarHBondContact O-CE1 3.25Å
121	T	98.9	Very high	98.8	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.137	C	C	.	.			trans	-143.4	136.3	-173	-33.5	0	0	0	0	112.3	P77 V79 L117 I123 V335 H336	P77-T121 HydrophobicContact CG-CG2 4.41Å; P77-T121 WeakPolarHBondContact O-CG2 3.48Å; V79-T121 HydrophobicContact CB-CG2 4.46Å; V79-T121 HydrophobicContact CG1-CG2 3.98Å; V79-T121 HydrophobicContact CG2-CG2 3.65Å; L117-T121 WeakPolarHBondContact O-CB 3.45Å; L117-T121 PolarHBondContact O-N 3.49Å; L117-T121 VanDerWaalsContact O-N 3.17Å; L117-T121 PolarHBondContact O-OG1 3.26Å; T121-I123 HydrophobicContact CG2-CG1 3.97Å; T121-V335 HydrophobicContact CG2-CG1 3.92Å; T121-H336 PolarHBondContact OG1-NE2 3.48Å
122	R	98.9	Very high	98.8	Very high	11 Å²	11	27.5 Å²	27.5	4%	0.042	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	106.5	169.9	-164.6	159.5	177.4	-132.9	4.1	111.2	E64 I71 E76 P77 E78 V79	E64-R122 HydrophobicContact CG-CG 4.39Å; E64-R122 IonicContact OE1-CZ 3.46Å; E64-R122 IonicContact OE1-NE 3.08Å; E64-R122 PolarHBondContact OE1-NE 2.85Å; E64-R122 IonicContact OE1-NH2 3.08Å; E64-R122 PolarHBondContact OE1-NH2 2.92Å; E64-R122 IonicContact OE2-NH2 3.69Å; E64-R122 PolarHBondContact OE2-NH2 2.88Å; I71-R122 WeakPolarHBondContact O-CD 3.23Å; I71-R122 VanDerWaalsContact O-CZ 3.23Å; I71-R122 PolarHBondContact O-NE 3.3Å; I71-R122 PolarHBondContact O-NH1 3.46Å; E76-R122 HydrophobicContact CG-CB 4.5Å; P77-R122 PolarHBondContact O-N 3.12Å; P77-R122 VanDerWaalsContact O-N 3.09Å; E78-R122 WeakPolarHBondContact CA-O 3.17Å; E78-R122 WeakPolarHBondContact OE1-CD 3.37Å; E78-R122 IonicContact OE1-CZ 3.33Å; E78-R122 IonicContact OE1-NE 2.97Å; E78-R122 IonicContact OE1-NH1 3.54Å; E78-R122 PolarHBondContact OE1-NH1 3.48Å; E78-R122 VanDerWaalsContact OE2-CB 3.29Å; E78-R122 WeakPolarHBondContact OE2-CB 3.44Å; E78-R122 WeakPolarHBondContact OE2-CD 3.27Å; E78-R122 WeakPolarHBondContact OE2-CG 3.23Å; E78-R122 IonicContact OE2-NH1 3.95Å; V79-R122 PolarHBondContact N-O 2.83Å
123	I	98.9	Very high	98.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.2	-169.9	-55.1	161.8	0	0	0	109.7	E64 F65 V79 L117 T121 I125 L332	E64-I123 CarbonylContact C-O 3.27Å; E64-I123 VanDerWaalsContact CA-O 3.26Å; E64-I123 WeakPolarHBondContact CA-O 3.49Å; F65-I123 HydrophobicContact CB-CB 4.28Å; F65-I123 PolarHBondContact N-O 3.39Å; F65-I123 PolarHBondContact O-N 3.47Å; V79-I123 HydrophobicContact CG2-CB 4Å; V79-I123 HydrophobicContact CG2-CG1 3.68Å; V79-I123 HydrophobicContact CG2-CG2 4.1Å; L117-I123 HydrophobicContact CD2-CD1 4.38Å; L117-I123 HydrophobicContact CG-CD1 4.02Å; T121-I123 HydrophobicContact CG2-CG1 3.97Å; I123-I125 HydrophobicContact CG2-CD1 4.43Å; I123-I125 HydrophobicContact CG2-CG1 4.11Å; I123-L332 HydrophobicContact CD1-CD1 4.3Å; I123-L332 HydrophobicContact CG2-CD1 4.33Å; I123-L332 HydrophobicContact CG2-CD2 4.15Å
124	H	98.9	Very high	98.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.1	176.7	-62.5	-85.2	0	0	0	112.6	Y49 V62 E64 E78 V79 K80 Y81 W203 F209	Y49-H124 AromaticContact CE1-ND1 3.69Å; Y49-H124 AromaticContact CZ-ND1 3.75Å; Y49-H124 PolarHBondContact OH-CE1 2.85Å; Y49-H124 PolarHBondContact OH-ND1 3.4Å; V62-H124 HydrophobicContact CG1-CB 3.88Å; E64-H124 IonicContact OE2-CE1 2.71Å; E64-H124 PolarHBondContact OE2-CE1 2.78Å; E78-H124 IonicContact OE2-CD2 3.78Å; E78-H124 PolarHBondContact OE2-CD2 2.79Å; E78-H124 IonicContact OE2-NE2 2.81Å; E78-H124 PolarHBondContact OE2-NE2 2.71Å; V79-H124 PolarHBondContact O-N 2.8Å; K80-H124 CarbonylContact C-O 3.55Å; K80-H124 WeakPolarHBondContact CA-O 3.29Å; K80-H124 HydrophobicContact CB-CB 4.22Å; K80-H124 WeakPolarHBondContact CB-O 3.48Å; Y81-H124 PolarHBondContact N-O 3.35Å; H124-W203 HydrophobicContact CB-CH2 4.48Å; H124-W203 HydrophobicContact CB-CZ2 3.75Å; H124-F209 HydrophobicContact CB-CE1 4.15Å; H124-F209 HydrophobicContact CB-CZ 4.42Å; H124-F209 AromaticContact CD2-CE1 3.56Å
125	I	99	Very high	98.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114.8	-176.2	-60.1	177.8	0	0	0	109.5	V62 L63 F65 L96 L99 L103 I123 P127	V62-I125 CarbonylContact C-O 3.35Å; V62-I125 VanDerWaalsContact CA-O 3.28Å; V62-I125 WeakPolarHBondContact CA-O 3.26Å; L63-I125 PolarHBondContact N-O 3.34Å; L63-I125 PolarHBondContact O-N 3.24Å; F65-I125 HydrophobicContact CD2-CD1 4.28Å; F65-I125 HydrophobicContact CE2-CD1 4.12Å; L96-I125 HydrophobicContact CB-CG2 3.66Å; L96-I125 HydrophobicContact CD1-CG2 4.19Å; L96-I125 HydrophobicContact CD2-CG2 4.06Å; L96-I125 HydrophobicContact CG-CG2 4.15Å; L99-I125 HydrophobicContact CD2-CD1 3.95Å; L99-I125 HydrophobicContact CG-CD1 4.13Å; L103-I125 HydrophobicContact CD1-CD1 4.11Å; I123-I125 HydrophobicContact CG2-CD1 4.43Å; I123-I125 HydrophobicContact CG2-CG1 4.11Å; I125-P127 HydrophobicContact CG2-CG 4.23Å; I125-P127 WeakPolarHBondContact O-CD 3.23Å
126	L	98.9	Very high	98.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	95.8	170.6	173.7	54.4	0	0	0	108.9	I51 L60 Y61 V62 Y81 V82 G83 S128 M129 V200 W203	I51-L126 HydrophobicContact CD1-CD2 3.84Å; L60-L126 HydrophobicContact CB-CD1 4.28Å; Y61-L126 WeakPolarHBondContact O-CD1 3.16Å; V62-L126 HydrophobicContact CG2-CB 4.12Å; V62-L126 HydrophobicContact CG2-CD1 4.15Å; Y81-L126 PolarHBondContact O-N 3.05Å; V82-L126 WeakPolarHBondContact CA-O 3.35Å; V82-L126 HydrophobicContact CG1-CD2 3.93Å; V82-L126 HydrophobicContact CG1-CG 4.28Å; V82-L126 HydrophobicContact CG2-CB 4.38Å; V82-L126 HydrophobicContact CG2-CD2 4.33Å; G83-L126 PolarHBondContact N-O 2.57Å; L126-S128 VanDerWaalsContact C-N 3.29Å; L126-S128 PolarHBondContact O-N 3.3Å; L126-M129 HydrophobicContact CD2-CB 4.22Å; L126-V200 HydrophobicContact CD2-CG2 4.23Å; L126-W203 HydrophobicContact CB-CH2 4.22Å; L126-W203 HydrophobicContact CB-CZ3 4.38Å; L126-W203 HydrophobicContact CD2-CZ3 4.05Å
127	P	98.9	Very high	98.7	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	8%	0.075	C	C	.	.	S	Bend	trans	-69.3	-26.2	-173.7	-16.7	29.4	0	0	0	113.7	L31 L35 Y61 G83 R93 L96 L97 I125	L31-P127 HydrophobicContact CD1-CB 4.06Å; L35-P127 HydrophobicContact CD1-CG 4.36Å; L35-P127 HydrophobicContact CD2-CG 4.12Å; Y61-P127 WeakPolarHBondContact O-CD 3.37Å; G83-P127 CarbonylContact C-O 3.34Å; R93-P127 VanDerWaalsContact CA-O 3.32Å; R93-P127 WeakPolarHBondContact CA-O 3.17Å; L96-P127 HydrophobicContact CB-CB 4.11Å; L96-P127 HydrophobicContact CB-CG 4.48Å; L97-P127 HydrophobicContact CD2-CB 4.05Å; L97-P127 HydrophobicContact CD2-CG 3.87Å; L97-P127 HydrophobicContact CG-CB 4.27Å; I125-P127 HydrophobicContact CG2-CG 4.23Å; I125-P127 WeakPolarHBondContact O-CD 3.23Å
128	S	98.9	Very high	98.6	Very high	7 Å²	7	14.6 Å²	14.6	5%	0.049	8%	0.078	C	C	.	.			trans	-146.9	108	-179.2	-174.3	0	0	0	0	112.2	G83 N84 R93 L126 P131	G83-S128 WeakPolarHBondContact O-CA 3.47Å; N84-S128 PolarHBondContact OD1-OG 2.83Å; R93-S128 PolarHBondContact NH1-OG 3.12Å; L126-S128 VanDerWaalsContact C-N 3.29Å; L126-S128 PolarHBondContact O-N 3.3Å; S128-P131 WeakPolarHBondContact OG-CA 3.49Å
129	M	98.9	Very high	98.4	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-76.9	-29.7	170.3	177.8	-178.5	177.5	0	0	112	V82 G83 M85 L126 P131 L159 F163 E196 V200 M289	V82-M129 HydrophobicContact CG1-CB 3.96Å; V82-M129 HydrophobicContact CG1-SD 4.33Å; G83-M129 PolarHBondContact O-N 2.89Å; M85-M129 HydrophobicContact CB-CB 4.02Å; M85-M129 HydrophobicContact CB-CG 4.2Å; M85-M129 HydrophobicContact CB-SD 3.64Å; M85-M129 HydrophobicContact CE-CE 4.47Å; M85-M129 HydrophobicContact CE-SD 4.07Å; L126-M129 HydrophobicContact CD2-CB 4.22Å; M129-P131 VanDerWaalsContact O-CD 3.28Å; M129-P131 WeakPolarHBondContact O-CD 3.34Å; M129-L159 HydrophobicContact CE-CB 4.32Å; M129-L159 HydrophobicContact CE-CD1 4.2Å; M129-L159 HydrophobicContact CG-CD1 4.29Å; M129-F163 HydrophobicContact CE-CE2 3.92Å; M129-F163 HydrophobicContact CE-CZ 3.84Å; M129-E196 WeakPolarHBondContact O-CG 3.36Å; M129-V200 HydrophobicContact CE-CB 4.17Å; M129-V200 HydrophobicContact CE-CG2 3.75Å; M129-V200 HydrophobicContact CG-CG2 4.04Å; M129-V200 HydrophobicContact SD-CG2 3.94Å; M129-M289 HydrophobicContact CE-SD 4.42Å; M129-M289 HydrophobicContact SD-SD 3.9Å
130	N	98.9	Very high	97.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.108	C	C	.	.			trans	-119.1	69.5	178.2	-173.5	6.9	0	0	0	112.4	N84 M85 D132 G133 Y134 R151 N152 N153 L159	N84-N130 WeakPolarHBondContact O-CB 3.21Å; N84-N130 PolarHBondContact O-N 3.3Å; M85-N130 WeakPolarHBondContact O-CB 3.31Å; M85-N130 PolarHBondContact O-ND2 2.88Å; N130-D132 PolarHBondContact O-N 2.98Å; N130-G133 PolarHBondContact O-N 3.25Å; N130-G133 PolarHBondContact OD1-N 3.02Å; N130-Y134 PolarHBondContact O-N 3.36Å; N130-Y134 VanDerWaalsContact O-N 3.13Å; N130-R151 PolarHBondContact ND2-O 3.19Å; N130-R151 VanDerWaalsContact ND2-O 3.14Å; N130-N152 VanDerWaalsContact ND2-C 3.28Å; N130-N152 PolarHBondContact ND2-O 2.76Å; N130-N153 PolarHBondContact ND2-N 2.99Å; N130-L159 HydrophobicContact CB-CD1 3.8Å
131	P	98.9	Very high	97.1	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.013	9%	0.093	C	C	.	.	H	α-helix	trans	-66.2	-23.5	-179.7	28.5	-36.2	0	0	0	112.6	Y28 R58 L60 S128 M129 E135	Y28-P131 HydrophobicContact CD2-CB 3.86Å; Y28-P131 HydrophobicContact CE2-CB 4.13Å; R58-P131 HydrophobicContact CB-CB 4.23Å; R58-P131 HydrophobicContact CB-CG 3.91Å; L60-P131 HydrophobicContact CD1-CG 4.23Å; S128-P131 WeakPolarHBondContact OG-CA 3.49Å; M129-P131 VanDerWaalsContact O-CD 3.28Å; M129-P131 WeakPolarHBondContact O-CD 3.34Å; P131-E135 WeakPolarHBondContact O-CG 3.19Å; P131-E135 PolarHBondContact O-N 3.16Å
132	D	98.9	Very high	96	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-73.2	-45.6	178.1	-69.9	-6.2	0	0	0	112.4	S54 V55 K56 R58 N130 Y134 E135 V136 A154	S54-D132 VanDerWaalsContact CB-CG 3.45Å; S54-D132 WeakPolarHBondContact CB-OD1 3.32Å; S54-D132 VanDerWaalsContact CB-OD2 3.26Å; S54-D132 WeakPolarHBondContact CB-OD2 3.4Å; S54-D132 PolarHBondContact OG-OD1 2.8Å; S54-D132 PolarHBondContact OG-OD2 2.86Å; V55-D132 PolarHBondContact N-OD2 3.46Å; K56-D132 WeakPolarHBondContact CB-OD2 3.3Å; K56-D132 WeakPolarHBondContact CG-OD2 3.5Å; K56-D132 PolarHBondContact N-OD2 3.12Å; R58-D132 WeakPolarHBondContact CD-OD1 3.31Å; R58-D132 IonicContact CZ-OD1 2.83Å; R58-D132 IonicContact NH1-OD1 2.71Å; R58-D132 PolarHBondContact NH1-OD1 2.98Å; N130-D132 PolarHBondContact O-N 2.98Å; D132-Y134 VanDerWaalsContact C-N 3.28Å; D132-Y134 PolarHBondContact O-N 3.03Å; D132-E135 PolarHBondContact O-N 3.15Å; D132-V136 WeakPolarHBondContact O-CG2 3.45Å; D132-V136 PolarHBondContact O-N 3.18Å; D132-A154 HydrophobicContact CB-CB 4Å
133	G	98.7	Very high	94.8	Very high	1 Å²	1	22 Å²	22	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-38.1	174	0	0	0	0	0	111.6	N130 E135 V136 A137 G150	N130-G133 PolarHBondContact O-N 3.25Å; N130-G133 PolarHBondContact OD1-N 3.02Å; G133-E135 PolarHBondContact O-N 3.11Å; G133-V136 WeakPolarHBondContact O-CB 3.24Å; G133-V136 PolarHBondContact O-N 3.28Å; G133-A137 PolarHBondContact O-N 3.11Å; G133-G150 CarbonylContact C-O 3.58Å; G133-G150 VanDerWaalsContact CA-O 3.28Å; G133-G150 WeakPolarHBondContact CA-O 3.34Å; G133-G150 VanDerWaalsContact O-CA 3.25Å; G133-G150 WeakPolarHBondContact O-CA 3.15Å
134	Y	98.7	Very high	93.5	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-58.3	-48.5	176.4	175.2	-85	0	0	0	112	H26 R27 G87 V90 N130 D132 V136 A137 A138	H26-Y134 PolarHBondContact O-OH 2.95Å; H26-Y134 VanDerWaalsContact O-OH 3.13Å; R27-Y134 HydrophobicContact CG-CE1 4.23Å; G87-Y134 WeakPolarHBondContact O-CA 3.47Å; V90-Y134 HydrophobicContact CB-CE2 4.48Å; V90-Y134 HydrophobicContact CG1-CE2 3.88Å; V90-Y134 HydrophobicContact CG2-CD2 4.03Å; V90-Y134 HydrophobicContact CG2-CE2 3.88Å; N130-Y134 PolarHBondContact O-N 3.36Å; N130-Y134 VanDerWaalsContact O-N 3.13Å; D132-Y134 VanDerWaalsContact C-N 3.28Å; D132-Y134 PolarHBondContact O-N 3.03Å; Y134-V136 PolarHBondContact O-N 3.07Å; Y134-A137 PolarHBondContact O-N 3.2Å; Y134-A137 VanDerWaalsContact O-N 3.12Å; Y134-A138 HydrophobicContact CD1-CB 4.25Å; Y134-A138 HydrophobicContact CE1-CB 3.71Å; Y134-A138 VanDerWaalsContact O-CB 3.3Å; Y134-A138 WeakPolarHBondContact O-CB 3.43Å; Y134-A138 PolarHBondContact O-N 3.21Å
135	E	98.5	Very high	92.1	Very high	31 Å²	31	25 Å²	25	15%	0.145	16%	0.159	C	C	.	.	H	α-helix	trans	-63.1	-31.6	-179.7	-68.4	-61.9	136.9	0	0	112.1	R27 Y28 P131 D132 G133 A139	R27-E135 WeakPolarHBondContact CA-OE1 3.39Å; Y28-E135 WeakPolarHBondContact CB-OE1 3.46Å; Y28-E135 PolarHBondContact N-OE1 3.26Å; P131-E135 WeakPolarHBondContact O-CG 3.19Å; P131-E135 PolarHBondContact O-N 3.16Å; D132-E135 PolarHBondContact O-N 3.15Å; G133-E135 PolarHBondContact O-N 3.11Å; E135-A139 VanDerWaalsContact O-CB 3.32Å; E135-A139 WeakPolarHBondContact O-CB 3.39Å; E135-A139 PolarHBondContact O-N 2.75Å; E135-A139 VanDerWaalsContact O-N 3.09Å
136	V	98	Very high	91	Very high	62 Å²	62	27.5 Å²	27.5	38%	0.376	18%	0.184	S	C	.	.	H	α-helix	trans	-67.7	-45.4	173.4	175.6	0	0	0	0	111.1	D132 G133 Y134 V149	D132-V136 WeakPolarHBondContact O-CG2 3.45Å; D132-V136 PolarHBondContact O-N 3.18Å; G133-V136 WeakPolarHBondContact O-CB 3.24Å; G133-V136 PolarHBondContact O-N 3.28Å; Y134-V136 PolarHBondContact O-N 3.07Å; V136-V149 HydrophobicContact CG1-CG1 3.84Å
137	A	97.2	Very high	90.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-47.3	176.6	0	0	0	0	0	111.7	N88 G133 Y134 A139 Q140 G141 F311	N88-A137 HydrophobicContact CB-CB 3.71Å; G133-A137 PolarHBondContact O-N 3.11Å; Y134-A137 PolarHBondContact O-N 3.2Å; Y134-A137 VanDerWaalsContact O-N 3.12Å; A137-A139 PolarHBondContact O-N 3.05Å; A137-Q140 PolarHBondContact O-N 2.75Å; A137-G141 PolarHBondContact O-N 3.43Å; A137-G141 VanDerWaalsContact O-N 3.12Å; A137-F311 HydrophobicContact CB-CD1 4.21Å; A137-F311 HydrophobicContact CB-CE1 4.08Å
138	A	96.3	Very high	90	Very high	11 Å²	11	40.3 Å²	40.3	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-68.9	-20.4	-177.4	0	0	0	0	0	113.6	R27 Y134 Q140 F311	R27-A138 PolarHBondContact NH2-O 3.5Å; Y134-A138 HydrophobicContact CD1-CB 4.25Å; Y134-A138 HydrophobicContact CE1-CB 3.71Å; Y134-A138 VanDerWaalsContact O-CB 3.3Å; Y134-A138 WeakPolarHBondContact O-CB 3.43Å; Y134-A138 PolarHBondContact O-N 3.21Å; A138-Q140 VanDerWaalsContact C-N 3.35Å; A138-F311 HydrophobicContact CB-CE1 4.22Å; A138-F311 HydrophobicContact CB-CZ 4.17Å
139	A	94.8	Very high	89.9	Confident	72 Å²	72	42 Å²	42	60%	0.595	25%	0.252	S	S	*	.	H	α-helix	trans	-71.6	-29.3	171.4	0	0	0	0	0	112.6	E135 A137	E135-A139 VanDerWaalsContact O-CB 3.32Å; E135-A139 WeakPolarHBondContact O-CB 3.39Å; E135-A139 PolarHBondContact O-N 2.75Å; E135-A139 VanDerWaalsContact O-N 3.09Å; A137-A139 PolarHBondContact O-N 3.05Å
140	Q	88.8	Confident	89.8	Confident	97 Å²	97	42.6 Å²	42.6	45%	0.453	26%	0.258	S	S	.	.	H	α-helix	trans	-83.9	-27.5	173	-59.6	-157.1	6.8	0	0	112	A137 A138 A144 V149	A137-Q140 PolarHBondContact O-N 2.75Å; A138-Q140 VanDerWaalsContact C-N 3.35Å; Q140-A144 HydrophobicContact CB-CB 4.4Å; Q140-A144 WeakPolarHBondContact O-CB 3.29Å; Q140-A144 PolarHBondContact OE1-O 2.98Å; Q140-A144 VanDerWaalsContact OE1-O 3.07Å; Q140-V149 VanDerWaalsContact CD-CG1 3.46Å; Q140-V149 HydrophobicContact CG-CG1 4.03Å
141	G	80.6	Confident	89.8	Confident	16 Å²	16	44.1 Å²	44.1	17%	0.165	26%	0.263	C	S	.	.			trans	84.5	167.9	179.7	0	0	0	0	0	113	A137 N143 A144 S145	A137-G141 PolarHBondContact O-N 3.43Å; A137-G141 VanDerWaalsContact O-N 3.12Å; G141-N143 PolarHBondContact O-N 2.81Å; G141-A144 PolarHBondContact O-N 3.33Å; G141-A144 VanDerWaalsContact O-N 3.16Å; G141-S145 PolarHBondContact O-N 3.3Å
142	P	76.6	Confident	89.8	Confident	41 Å²	41	46.7 Å²	46.7	27%	0.266	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.1	-168.5	24.7	-34.8	0	0	0	113.7	F311 R313	P142-F311 HydrophobicContact CB-CD2 3.78Å; P142-F311 HydrophobicContact CB-CE2 4.25Å; P142-F311 HydrophobicContact CB-CG 4.18Å; P142-F311 WeakPolarHBondContact CB-O 3.45Å; P142-R313 HydrophobicContact CB-CG 4.46Å
143	N	72.8	Confident	89.8	Confident	118 Å²	118	47 Å²	47	63%	0.631	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-13.6	-178.9	-65.9	-40.4	0	0	0	113.9	G141 R313	G141-N143 PolarHBondContact O-N 2.81Å; N143-R313 PolarHBondContact OD1-NE 3.34Å; N143-R313 PolarHBondContact OD1-NH2 2.68Å
144	A	72.3	Confident	89.8	Confident	60 Å²	60	48.8 Å²	48.8	50%	0.496	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-12.1	-170.6	0	0	0	0	0	114.6	Q140 G141 G146	Q140-A144 HydrophobicContact CB-CB 4.4Å; Q140-A144 WeakPolarHBondContact O-CB 3.29Å; Q140-A144 PolarHBondContact OE1-O 2.98Å; Q140-A144 VanDerWaalsContact OE1-O 3.07Å; G141-A144 PolarHBondContact O-N 3.33Å; G141-A144 VanDerWaalsContact O-N 3.16Å; A144-G146 PolarHBondContact O-N 3.44Å; A144-G146 VanDerWaalsContact O-N 3.09Å
145	S	69.6	Low	89.8	Confident	4 Å²	4	53.4 Å²	53.4	3%	0.028	32%	0.318	C	S	.	.	S	Bend	trans	-60.9	-19.7	176.1	60.2	0	0	0	0	113.4	G141 V149	G141-S145 PolarHBondContact O-N 3.3Å; S145-V149 WeakPolarHBondContact O-CB 3.45Å; S145-V149 VanDerWaalsContact O-CG2 3.29Å; S145-V149 WeakPolarHBondContact O-CG2 3.34Å; S145-V149 PolarHBondContact O-N 3.02Å
146	G	75.7	Confident	89.8	Confident	52 Å²	52	54.2 Å²	54.2	54%	0.536	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	-154.8	-178.2	0	0	0	0	0	112.2	A144	A144-G146 PolarHBondContact O-N 3.44Å; A144-G146 VanDerWaalsContact O-N 3.09Å
147	Y	84.6	Confident	89.8	Confident	151 Å²	151	53.3 Å²	53.3	59%	0.592	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-26.4	-172.9	-163.5	-92.2	0	0	0	114.3	N88 K310	N88-Y147 PolarHBondContact ND2-O 3.45Å; Y147-K310 HydrophobicContact CD2-CD 4.43Å; Y147-K310 HydrophobicContact CE2-CD 4.41Å; Y147-K310 VanDerWaalsContact CE2-CE 3.45Å
148	L	93.3	Very high	89.9	Confident	120 Å²	120	54.6 Å²	54.6	63%	0.628	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	-22.8	-166.7	-64.9	177	0	0	0	115.4	G150 R151	L148-G150 PolarHBondContact O-N 3.42Å; L148-R151 VanDerWaalsContact O-CB 3.28Å; L148-R151 WeakPolarHBondContact O-CB 3.21Å; L148-R151 PolarHBondContact O-N 3.22Å; L148-R151 VanDerWaalsContact O-N 3.08Å
149	V	96	Very high	90	Very high	43 Å²	43	54 Å²	54	26%	0.261	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	124.3	-174.7	175.7	0	0	0	0	109.4	N88 V136 Q140 S145 R151	N88-V149 WeakPolarHBondContact CB-O 3.47Å; V136-V149 HydrophobicContact CG1-CG1 3.84Å; Q140-V149 VanDerWaalsContact CD-CG1 3.46Å; Q140-V149 HydrophobicContact CG-CG1 4.03Å; S145-V149 WeakPolarHBondContact O-CB 3.45Å; S145-V149 VanDerWaalsContact O-CG2 3.29Å; S145-V149 WeakPolarHBondContact O-CG2 3.34Å; S145-V149 PolarHBondContact O-N 3.02Å; V149-R151 PolarHBondContact O-N 3.5Å
150	G	96.9	Very high	90.2	Very high	11 Å²	11	50.9 Å²	50.9	11%	0.113	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	5.8	179.3	0	0	0	0	0	114.3	G87 N88 G133 L148	G87-G150 CarbonylContact C-O 3.25Å; G87-G150 WeakPolarHBondContact CA-O 3.43Å; G87-G150 PolarHBondContact N-O 3.45Å; N88-G150 PolarHBondContact N-O 2.97Å; G133-G150 CarbonylContact C-O 3.58Å; G133-G150 VanDerWaalsContact CA-O 3.28Å; G133-G150 WeakPolarHBondContact CA-O 3.34Å; G133-G150 VanDerWaalsContact O-CA 3.25Å; G133-G150 WeakPolarHBondContact O-CA 3.15Å; L148-G150 PolarHBondContact O-N 3.42Å
151	R	98.4	Very high	90.7	Very high	32 Å²	32	49.9 Å²	49.9	12%	0.121	30%	0.297	C	S	.	.			trans	-60.5	-55.7	172.9	-179.4	-174.5	169.5	82.7	-3.4	111.3	H86 G87 N88 E89 N130 L148 V149 D158	H86-R151 VanDerWaalsContact CA-O 3.31Å; H86-R151 WeakPolarHBondContact CA-O 3.35Å; H86-R151 HydrophobicContact CB-CG 3.95Å; H86-R151 PolarHBondContact CE1-NH1 3.02Å; H86-R151 PolarHBondContact CE1-NH2 2.87Å; H86-R151 PolarHBondContact ND1-NH1 3.13Å; H86-R151 VanDerWaalsContact ND1-NH1 3.1Å; H86-R151 VanDerWaalsContact NE2-CZ 3.26Å; H86-R151 PolarHBondContact NE2-NH2 3.27Å; G87-R151 PolarHBondContact N-O 2.95Å; N88-R151 VanDerWaalsContact OD1-CA 3.25Å; N88-R151 WeakPolarHBondContact OD1-CA 3.37Å; N88-R151 WeakPolarHBondContact OD1-CB 3.38Å; E89-R151 IonicContact OE1-NH1 2.68Å; E89-R151 PolarHBondContact OE1-NH1 3.29Å; N130-R151 PolarHBondContact ND2-O 3.19Å; N130-R151 VanDerWaalsContact ND2-O 3.14Å; L148-R151 VanDerWaalsContact O-CB 3.28Å; L148-R151 WeakPolarHBondContact O-CB 3.21Å; L148-R151 PolarHBondContact O-N 3.22Å; L148-R151 VanDerWaalsContact O-N 3.08Å; V149-R151 PolarHBondContact O-N 3.5Å; R151-D158 IonicContact CZ-OD2 3.57Å; R151-D158 IonicContact NE-OD2 2.83Å; R151-D158 PolarHBondContact NE-OD2 3.47Å; R151-D158 IonicContact NH2-OD2 3.69Å; R151-D158 PolarHBondContact NH2-OD2 3.4Å
152	N	98.8	Very high	91.5	Very high	56 Å²	56	49.8 Å²	49.8	30%	0.299	29%	0.293	S	S	.	.	S	Bend	trans	-76	166.1	-176.5	-64.6	-1.4	0	0	0	111.3	N130 G156 V157	N130-N152 VanDerWaalsContact ND2-C 3.28Å; N130-N152 PolarHBondContact ND2-O 2.76Å; N152-G156 PolarHBondContact ND2-O 3Å; N152-V157 WeakPolarHBondContact CA-O 3.3Å; N152-V157 WeakPolarHBondContact CB-O 3.39Å
153	N	98.8	Very high	92.6	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.043	28%	0.28	C	S	.	.			trans	-71.8	-176.4	172	84	-19.3	0	0	0	111.5	N130 N155 G156 V157 L159 E194 E196	N130-N153 PolarHBondContact ND2-N 2.99Å; N153-N155 PolarHBondContact O-N 3.34Å; N153-N155 PolarHBondContact OD1-N 2.7Å; N153-N155 VanDerWaalsContact OD1-N 3.11Å; N153-G156 PolarHBondContact O-N 3.39Å; N153-G156 PolarHBondContact OD1-N 2.77Å; N153-V157 PolarHBondContact N-O 2.88Å; N153-V157 PolarHBondContact OD1-N 2.96Å; N153-V157 PolarHBondContact OD1-O 3.48Å; N153-L159 HydrophobicContact CB-CD1 4.32Å; N153-L159 HydrophobicContact CB-CD2 3.9Å; N153-L159 HydrophobicContact CB-CG 4.09Å; N153-E194 WeakPolarHBondContact ND2-CG 3.16Å; N153-E194 PolarHBondContact ND2-OE2 2.97Å; N153-E196 PolarHBondContact ND2-OE2 3.47Å
154	A	98.7	Very high	93.8	Very high	39 Å²	39	42.8 Å²	42.8	32%	0.322	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.7	-175.3	0	0	0	0	0	114.7	V55 K56 D132 G156	V55-A154 HydrophobicContact CB-CB 3.72Å; V55-A154 HydrophobicContact CG1-CB 3.81Å; V55-A154 HydrophobicContact CG2-CB 4.34Å; K56-A154 HydrophobicContact CD-CB 4.19Å; K56-A154 HydrophobicContact CG-CB 3.92Å; D132-A154 HydrophobicContact CB-CB 4Å; A154-G156 VanDerWaalsContact C-N 3.29Å
155	N	98.7	Very high	95	Very high	98 Å²	98	41.7 Å²	41.7	52%	0.524	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	3.7	173.8	-71.4	-27.2	0	0	0	112.7	V55 N153 V157 E194	V55-N155 WeakPolarHBondContact CG2-ND2 3.5Å; N153-N155 PolarHBondContact O-N 3.34Å; N153-N155 PolarHBondContact OD1-N 2.7Å; N153-N155 VanDerWaalsContact OD1-N 3.11Å; N155-V157 VanDerWaalsContact C-N 3.32Å; N155-V157 HydrophobicContact CB-CG2 4.37Å; N155-E194 WeakPolarHBondContact CB-OE2 3.36Å; N155-E194 PolarHBondContact ND2-OE2 3Å
156	G	98.4	Very high	96.3	Very high	48 Å²	48	41.6 Å²	41.6	50%	0.495	24%	0.238	S	C	.	.	S	Bend	trans	76.5	17.2	-178.2	0	0	0	0	0	113.8	N152 N153 A154	N152-G156 PolarHBondContact ND2-O 3Å; N153-G156 PolarHBondContact O-N 3.39Å; N153-G156 PolarHBondContact OD1-N 2.77Å; A154-G156 VanDerWaalsContact C-N 3.29Å
157	V	98.8	Very high	97.4	Very high	43 Å²	43	39.3 Å²	39.3	26%	0.261	21%	0.214	S	C	.	.			trans	-93.3	132.6	177.8	178.8	0	0	0	0	110.9	N152 N153 N155 L159 N162 E194	N152-V157 WeakPolarHBondContact CA-O 3.3Å; N152-V157 WeakPolarHBondContact CB-O 3.39Å; N153-V157 PolarHBondContact N-O 2.88Å; N153-V157 PolarHBondContact OD1-N 2.96Å; N153-V157 PolarHBondContact OD1-O 3.48Å; N155-V157 VanDerWaalsContact C-N 3.32Å; N155-V157 HydrophobicContact CB-CG2 4.37Å; V157-L159 PolarHBondContact O-N 2.94Å; V157-N162 HydrophobicContact CG1-CB 4.07Å; V157-E194 HydrophobicContact CB-CG 3.75Å; V157-E194 HydrophobicContact CG1-CG 3.73Å; V157-E194 HydrophobicContact CG2-CG 4.04Å
158	D	98.8	Very high	97.8	Very high	26 Å²	26	35.8 Å²	35.8	14%	0.139	21%	0.208	C	C	.	.			trans	-73.2	111.6	168.7	-175	-38.7	0	0	0	108.8	H86 R151 N160 R161 N162	H86-D158 IonicContact CD2-OD1 3.95Å; H86-D158 IonicContact NE2-OD1 2.73Å; H86-D158 PolarHBondContact NE2-OD1 2.8Å; H86-D158 VanDerWaalsContact NE2-OD1 3.13Å; H86-D158 IonicContact NE2-OD2 3.87Å; R151-D158 IonicContact CZ-OD2 3.57Å; R151-D158 IonicContact NE-OD2 2.83Å; R151-D158 PolarHBondContact NE-OD2 3.47Å; R151-D158 IonicContact NH2-OD2 3.69Å; R151-D158 PolarHBondContact NH2-OD2 3.4Å; D158-N160 PolarHBondContact O-N 2.97Å; D158-N160 WeakPolarHBondContact OD1-CA 3.37Å; D158-N160 PolarHBondContact OD1-N 2.94Å; D158-R161 HydrophobicContact CB-CB 4.2Å; D158-R161 HydrophobicContact CB-CG 4.08Å; D158-R161 CarbonylContact O-C 3.59Å; D158-R161 PolarHBondContact O-N 3.32Å; D158-R161 PolarHBondContact OD1-N 3.01Å; D158-N162 PolarHBondContact O-N 3.09Å
159	L	98.9	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-64.7	-27.9	-177.1	-63.2	-176.6	0	0	0	112.4	M85 M129 N130 N153 V157 R161 N162 F163 E194 E196	M85-L159 HydrophobicContact CE-CB 4.21Å; M129-L159 HydrophobicContact CE-CB 4.32Å; M129-L159 HydrophobicContact CE-CD1 4.2Å; M129-L159 HydrophobicContact CG-CD1 4.29Å; N130-L159 HydrophobicContact CB-CD1 3.8Å; N153-L159 HydrophobicContact CB-CD1 4.32Å; N153-L159 HydrophobicContact CB-CD2 3.9Å; N153-L159 HydrophobicContact CB-CG 4.09Å; V157-L159 PolarHBondContact O-N 2.94Å; L159-R161 PolarHBondContact O-N 2.88Å; L159-N162 PolarHBondContact O-N 2.78Å; L159-F163 WeakPolarHBondContact O-CD2 3.49Å; L159-E194 HydrophobicContact CD2-CB 3.82Å; L159-E194 HydrophobicContact CD2-CG 4.1Å; L159-E196 HydrophobicContact CD1-CB 3.73Å; L159-E196 HydrophobicContact CD1-CG 4.09Å; L159-E196 HydrophobicContact CD2-CB 4.18Å
160	N	98.8	Very high	97.9	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.027	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-84.7	15.8	174.5	-154.2	20.3	0	0	0	112.4	M85 D158 K287 G288 M289	M85-N160 HydrophobicContact CE-CB 3.45Å; M85-N160 VanDerWaalsContact CE-CB 3.45Å; M85-N160 HydrophobicContact SD-CB 3.81Å; D158-N160 PolarHBondContact O-N 2.97Å; D158-N160 WeakPolarHBondContact OD1-CA 3.37Å; D158-N160 PolarHBondContact OD1-N 2.94Å; N160-K287 CarbonylContact C-O 3.44Å; N160-G288 WeakPolarHBondContact OD1-CA 3.39Å; N160-M289 PolarHBondContact OD1-N 2.83Å
161	R	98.6	Very high	97.9	Very high	77 Å²	77	35 Å²	35	29%	0.291	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-128.3	13.9	165.1	-59.8	-64.4	-177.6	-74.4	-0.9	111.6	D158 L159 L285 S286 K287	D158-R161 HydrophobicContact CB-CB 4.2Å; D158-R161 HydrophobicContact CB-CG 4.08Å; D158-R161 CarbonylContact O-C 3.59Å; D158-R161 PolarHBondContact O-N 3.32Å; D158-R161 PolarHBondContact OD1-N 3.01Å; L159-R161 PolarHBondContact O-N 2.88Å; R161-L285 VanDerWaalsContact NH1-CG 3.28Å; R161-L285 VanDerWaalsContact NH2-CD1 3.35Å; R161-S286 WeakPolarHBondContact CD-O 3.19Å; R161-K287 VanDerWaalsContact C-CB 3.41Å; R161-K287 CarbonylContact C-O 3.33Å; R161-K287 VanDerWaalsContact C-O 3.25Å; R161-K287 VanDerWaalsContact CA-O 3.31Å; R161-K287 WeakPolarHBondContact CA-O 3.34Å; R161-K287 WeakPolarHBondContact O-CB 3.24Å; R161-K287 WeakPolarHBondContact O-CD 3.42Å; R161-K287 WeakPolarHBondContact O-CE 3.33Å
162	N	98.8	Very high	97.8	Very high	14 Å²	14	40.1 Å²	40.1	8%	0.075	21%	0.21	C	C	.	.			trans	-108.9	-12.4	-170.9	-167	-117.8	0	0	0	114.2	V157 D158 L159 V193 E194 T197 K287	V157-N162 HydrophobicContact CG1-CB 4.07Å; D158-N162 PolarHBondContact O-N 3.09Å; L159-N162 PolarHBondContact O-N 2.78Å; N162-V193 WeakPolarHBondContact O-CG1 3.38Å; N162-V193 VanDerWaalsContact OD1-CA 3.29Å; N162-V193 WeakPolarHBondContact OD1-CA 3.49Å; N162-V193 WeakPolarHBondContact OD1-CB 3.33Å; N162-E194 PolarHBondContact OD1-N 3.3Å; N162-T197 HydrophobicContact CB-CG2 4.45Å; N162-T197 VanDerWaalsContact OD1-CB 3.27Å; N162-T197 WeakPolarHBondContact OD1-CB 3.46Å; N162-T197 PolarHBondContact OD1-OG1 3.17Å; N162-T197 VanDerWaalsContact OD1-OG1 3.14Å; N162-K287 PolarHBondContact N-O 2.95Å; N162-K287 VanDerWaalsContact N-O 3.16Å
163	F	98.8	Very high	97.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-70.7	155.1	177.1	-72.6	-101.6	0	0	0	112.1	M85 M129 L159 D165 T197 V200 I201 K287 M289 F292	M85-F163 HydrophobicContact CE-CE2 4.36Å; M129-F163 HydrophobicContact CE-CE2 3.92Å; M129-F163 HydrophobicContact CE-CZ 3.84Å; L159-F163 WeakPolarHBondContact O-CD2 3.49Å; F163-D165 PolarHBondContact O-N 3.18Å; F163-T197 HydrophobicContact CD1-CG2 3.98Å; F163-T197 HydrophobicContact CD2-CG2 3.89Å; F163-T197 HydrophobicContact CE1-CG2 3.98Å; F163-T197 HydrophobicContact CE2-CG2 3.87Å; F163-T197 HydrophobicContact CG-CG2 3.94Å; F163-T197 HydrophobicContact CZ-CG2 3.92Å; F163-V200 HydrophobicContact CE1-CG1 4.2Å; F163-V200 HydrophobicContact CZ-CB 4.34Å; F163-V200 HydrophobicContact CZ-CG1 4.01Å; F163-I201 HydrophobicContact CD1-CD1 4.03Å; F163-I201 HydrophobicContact CD1-CG1 3.83Å; F163-I201 HydrophobicContact CE1-CD1 4.34Å; F163-I201 HydrophobicContact CE1-CG1 3.72Å; F163-K287 PolarHBondContact N-O 2.91Å; F163-K287 WeakPolarHBondContact O-CA 3.48Å; F163-K287 WeakPolarHBondContact O-CB 3.32Å; F163-K287 VanDerWaalsContact O-CG 3.3Å; F163-K287 WeakPolarHBondContact O-CG 3.36Å; F163-K287 PolarHBondContact O-NZ 3.41Å; F163-M289 HydrophobicContact CD2-CB 3.92Å; F163-M289 HydrophobicContact CD2-CG 4.49Å; F163-M289 HydrophobicContact CE1-CB 4.32Å; F163-M289 HydrophobicContact CE1-CG 3.87Å; F163-M289 HydrophobicContact CE1-SD 4.42Å; F163-M289 HydrophobicContact CE2-CB 3.53Å; F163-M289 HydrophobicContact CE2-CG 3.81Å; F163-M289 HydrophobicContact CE2-SD 4.09Å; F163-M289 HydrophobicContact CG-CB 4.48Å; F163-M289 HydrophobicContact CZ-CB 3.75Å; F163-M289 HydrophobicContact CZ-CG 3.44Å; F163-M289 VanDerWaalsContact CZ-CG 3.44Å; F163-M289 HydrophobicContact CZ-SD 3.6Å; F163-F292 HydrophobicContact CB-CB 4.1Å; F163-F292 HydrophobicContact CB-CD2 4.21Å; F163-F292 HydrophobicContact CB-CG 4.18Å; F163-F292 HydrophobicContact CD1-CB 3.98Å; F163-F292 AromaticContact CD1-CD1 3.55Å; F163-F292 HydrophobicContact CD1-CD1 3.55Å; F163-F292 HydrophobicContact CD1-CD2 4.18Å; F163-F292 HydrophobicContact CD1-CE1 4.02Å; F163-F292 AromaticContact CD1-CG 3.63Å; F163-F292 HydrophobicContact CD1-CG 3.63Å; F163-F292 HydrophobicContact CE1-CD1 4Å; F163-F292 HydrophobicContact CE1-CE1 4.38Å; F163-F292 HydrophobicContact CE1-CG 4.49Å; F163-F292 HydrophobicContact CG-CB 4.28Å; F163-F292 HydrophobicContact CG-CG 4.29Å
164	P	98.5	Very high	97.5	Very high	11 Å²	11	42 Å²	42	7%	0.071	22%	0.218	C	C	.	.			trans	-56.4	131.6	168.2	-26.9	36.5	0	0	0	111.4	L166 L185 I201 F292	P164-L166 HydrophobicContact CB-CD2 4.32Å; P164-L166 PolarHBondContact O-N 3.39Å; P164-L185 HydrophobicContact CB-CD2 4.27Å; P164-L185 HydrophobicContact CG-CD2 4.17Å; P164-I201 HydrophobicContact CG-CD1 4.37Å; P164-F292 HydrophobicContact CB-CD2 4.37Å; P164-F292 HydrophobicContact CB-CE2 4.04Å; P164-F292 HydrophobicContact CG-CD2 4.48Å; P164-F292 HydrophobicContact CG-CE2 3.86Å
165	D	96.8	Very high	97.3	Very high	37 Å²	37	47.2 Å²	47.2	20%	0.198	23%	0.233	C	C	.	.			trans	-82.1	101.4	177.5	-175.7	-25.6	0	0	0	109.3	F163 N167 T168 K228 S286 K287	F163-D165 PolarHBondContact O-N 3.18Å; D165-N167 WeakPolarHBondContact OD1-CB 3.25Å; D165-N167 PolarHBondContact OD1-N 3.11Å; D165-T168 PolarHBondContact OD1-N 3.42Å; D165-K228 IonicContact OD1-NZ 3.79Å; D165-K228 PolarHBondContact OD1-NZ 2.91Å; D165-K228 IonicContact OD2-NZ 2.73Å; D165-K228 PolarHBondContact OD2-NZ 3.33Å; D165-S286 WeakPolarHBondContact OD2-CB 3.33Å; D165-K287 HydrophobicContact CB-CG 3.82Å
166	L	98.2	Very high	97.2	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	24%	0.235	C	C	.	.			trans	-94.2	-16	-179.1	-57.9	-179.6	0	0	0	112.5	P164 T168 Y169 F170 L183 L185 F292 L295 H296	P164-L166 HydrophobicContact CB-CD2 4.32Å; P164-L166 PolarHBondContact O-N 3.39Å; L166-T168 VanDerWaalsContact C-N 3.28Å; L166-T168 PolarHBondContact O-N 3.47Å; L166-Y169 HydrophobicContact CD2-CD2 4.48Å; L166-Y169 PolarHBondContact O-N 3.1Å; L166-Y169 VanDerWaalsContact O-N 3.12Å; L166-F170 PolarHBondContact O-N 2.83Å; L166-L183 HydrophobicContact CB-CB 4.42Å; L166-L183 HydrophobicContact CB-CD1 4.08Å; L166-L183 HydrophobicContact CD1-CB 4.23Å; L166-L183 HydrophobicContact CD2-CB 4.36Å; L166-L183 WeakPolarHBondContact O-CD1 3.43Å; L166-L185 HydrophobicContact CD1-CD2 4.25Å; L166-L185 HydrophobicContact CD2-CD2 4.41Å; L166-F292 HydrophobicContact CD1-CD2 3.9Å; L166-F292 HydrophobicContact CD1-CE2 4Å; L166-F292 HydrophobicContact CG-CD2 4.36Å; L166-L295 HydrophobicContact CB-CB 3.77Å; L166-L295 HydrophobicContact CB-CD1 3.78Å; L166-L295 HydrophobicContact CB-CG 4.44Å; L166-L295 HydrophobicContact CD1-CB 4.07Å; L166-H296 HydrophobicContact CD1-CB 3.64Å
167	N	97.6	Very high	97.1	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-56.1	-41	-179.6	-60	77.4	0	0	0	112.1	D165 Y169 F170 Y171 K228 D291 L295	D165-N167 WeakPolarHBondContact OD1-CB 3.25Å; D165-N167 PolarHBondContact OD1-N 3.11Å; N167-Y169 VanDerWaalsContact C-N 3.3Å; N167-Y169 PolarHBondContact O-N 2.68Å; N167-F170 PolarHBondContact O-N 3.22Å; N167-Y171 HydrophobicContact CB-CD2 4.39Å; N167-Y171 HydrophobicContact CB-CE2 3.79Å; N167-Y171 PolarHBondContact ND2-OH 2.84Å; N167-Y171 WeakPolarHBondContact O-CB 3.18Å; N167-Y171 VanDerWaalsContact O-CD2 3.26Å; N167-Y171 WeakPolarHBondContact O-CD2 3.39Å; N167-Y171 PolarHBondContact O-N 2.84Å; N167-K228 HydrophobicContact CB-CB 4.12Å; N167-K228 HydrophobicContact CB-CD 3.59Å; N167-K228 HydrophobicContact CB-CG 4.49Å; N167-D291 PolarHBondContact ND2-OD2 3.13Å; N167-L295 HydrophobicContact CB-CD1 4.35Å
168	T	92.8	Very high	97	Very high	77 Å²	77	49.4 Å²	49.4	47%	0.472	25%	0.245	S	C	.	.	H	α-helix	trans	-60	-40.4	179.6	-74.8	0	0	0	0	112.4	D165 L166 Y172 K228	D165-T168 PolarHBondContact OD1-N 3.42Å; L166-T168 VanDerWaalsContact C-N 3.28Å; L166-T168 PolarHBondContact O-N 3.47Å; T168-Y172 PolarHBondContact O-N 3.13Å; T168-K228 PolarHBondContact OG1-NZ 2.78Å
169	Y	95.5	Very high	96.9	Very high	133 Å²	133	52.2 Å²	52.2	52%	0.522	27%	0.265	S	S	.	.	H	α-helix	trans	-72.3	-41.4	176.6	-58	-76.5	0	0	0	110.9	L166 N167 Y172 N173	L166-Y169 HydrophobicContact CD2-CD2 4.48Å; L166-Y169 PolarHBondContact O-N 3.1Å; L166-Y169 VanDerWaalsContact O-N 3.12Å; N167-Y169 VanDerWaalsContact C-N 3.3Å; N167-Y169 PolarHBondContact O-N 2.68Å; Y169-Y172 WeakPolarHBondContact O-CB 3.37Å; Y169-Y172 PolarHBondContact O-N 3.13Å; Y169-N173 PolarHBondContact O-N 2.99Å; Y169-N173 PolarHBondContact O-OD1 2.91Å
170	F	97.4	Very high	96.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-50.2	177.9	-172.5	-93.6	0	0	0	112.1	L166 N167 Y172 N173 E174 N180 L183 Y226 P243 L295	L166-F170 PolarHBondContact O-N 2.83Å; N167-F170 PolarHBondContact O-N 3.22Å; F170-Y172 PolarHBondContact O-N 3.09Å; F170-N173 CarbonylContact O-C 3.55Å; F170-N173 PolarHBondContact O-N 3.08Å; F170-E174 HydrophobicContact CE1-CB 4.17Å; F170-E174 WeakPolarHBondContact O-CB 3.19Å; F170-E174 PolarHBondContact O-N 3.02Å; F170-N180 HydrophobicContact CE2-CB 4.25Å; F170-N180 WeakPolarHBondContact CE2-O 3.26Å; F170-L183 HydrophobicContact CB-CD1 3.84Å; F170-L183 HydrophobicContact CD2-CD1 4.42Å; F170-Y226 HydrophobicContact CD1-CE2 4.06Å; F170-Y226 AromaticContact CD1-CZ 3.8Å; F170-Y226 WeakPolarHBondContact CD1-OH 3.26Å; F170-Y226 AromaticContact CE1-CE2 3.95Å; F170-Y226 HydrophobicContact CE1-CE2 3.95Å; F170-Y226 AromaticContact CE1-CZ 3.84Å; F170-Y226 WeakPolarHBondContact CE1-OH 3.48Å; F170-Y226 WeakPolarHBondContact CZ-OH 3.42Å; F170-P243 HydrophobicContact CE1-CG 4.32Å; F170-P243 HydrophobicContact CZ-CG 3.75Å; F170-L295 HydrophobicContact CB-CD1 4.25Å; F170-L295 HydrophobicContact CB-CD2 3.73Å; F170-L295 HydrophobicContact CD1-CD2 4.28Å; F170-L295 HydrophobicContact CD2-CD2 3.48Å; F170-L295 VanDerWaalsContact CD2-CD2 3.48Å; F170-L295 HydrophobicContact CE2-CD2 4.2Å; F170-L295 HydrophobicContact CG-CD2 3.53Å
171	Y	96	Very high	96.9	Very high	24 Å²	24	54.2 Å²	54.2	9%	0.094	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-31.8	178.9	-60.5	-27.6	0	0	0	112.9	N167 K175 Y226 K228 L230	N167-Y171 HydrophobicContact CB-CD2 4.39Å; N167-Y171 HydrophobicContact CB-CE2 3.79Å; N167-Y171 PolarHBondContact ND2-OH 2.84Å; N167-Y171 WeakPolarHBondContact O-CB 3.18Å; N167-Y171 VanDerWaalsContact O-CD2 3.26Å; N167-Y171 WeakPolarHBondContact O-CD2 3.39Å; N167-Y171 PolarHBondContact O-N 2.84Å; Y171-K175 WeakPolarHBondContact O-CB 3.29Å; Y171-K175 PolarHBondContact O-N 2.78Å; Y171-Y226 AromaticContact CE1-CD2 3.77Å; Y171-Y226 HydrophobicContact CE1-CD2 3.77Å; Y171-Y226 AromaticContact CE1-CE2 3.93Å; Y171-Y226 HydrophobicContact CE1-CE2 3.93Å; Y171-Y226 HydrophobicContact CE1-CG 4.26Å; Y171-Y226 VanDerWaalsContact OH-CB 3.3Å; Y171-Y226 WeakPolarHBondContact OH-CB 3.41Å; Y171-K228 HydrophobicContact CE2-CD 4.44Å; Y171-K228 PolarHBondContact OH-O 2.85Å; Y171-L230 HydrophobicContact CD1-CD2 3.55Å; Y171-L230 HydrophobicContact CD1-CG 4.04Å; Y171-L230 HydrophobicContact CD2-CD2 3.59Å; Y171-L230 HydrophobicContact CD2-CG 4.04Å; Y171-L230 HydrophobicContact CE1-CD2 4.12Å; Y171-L230 HydrophobicContact CE1-CG 4.09Å; Y171-L230 HydrophobicContact CE2-CD2 4.13Å; Y171-L230 HydrophobicContact CE2-CG 4.06Å; Y171-L230 HydrophobicContact CG-CD2 3.3Å; Y171-L230 HydrophobicContact CG-CG 4.07Å
172	Y	96.1	Very high	96.9	Very high	140 Å²	140	53.5 Å²	53.5	55%	0.549	27%	0.274	S	S	.	.	H	α-helix	trans	-66.8	-49.8	171.2	179.7	-88.5	0	0	0	111	T168 Y169 F170 E174 K175 Y176	T168-Y172 PolarHBondContact O-N 3.13Å; Y169-Y172 WeakPolarHBondContact O-CB 3.37Å; Y169-Y172 PolarHBondContact O-N 3.13Å; F170-Y172 PolarHBondContact O-N 3.09Å; Y172-E174 VanDerWaalsContact C-N 3.35Å; Y172-E174 PolarHBondContact O-N 3.16Å; Y172-K175 PolarHBondContact O-N 2.83Å; Y172-Y176 HydrophobicContact CD1-CD2 4.42Å; Y172-Y176 AromaticContact CD2-CD2 3.49Å; Y172-Y176 HydrophobicContact CD2-CD2 3.49Å; Y172-Y176 VanDerWaalsContact CD2-CD2 3.49Å; Y172-Y176 AromaticContact CD2-CE2 3.81Å; Y172-Y176 HydrophobicContact CD2-CE2 3.81Å; Y172-Y176 HydrophobicContact CE1-CD2 4.39Å; Y172-Y176 AromaticContact CE2-CD2 3.45Å; Y172-Y176 HydrophobicContact CE2-CD2 3.45Å; Y172-Y176 VanDerWaalsContact CE2-CD2 3.45Å; Y172-Y176 AromaticContact CE2-CE2 3.83Å; Y172-Y176 HydrophobicContact CE2-CE2 3.83Å; Y172-Y176 HydrophobicContact CE2-CG 4.26Å; Y172-Y176 HydrophobicContact CG-CD2 4Å; Y172-Y176 AromaticContact CZ-CD2 3.93Å; Y172-Y176 WeakPolarHBondContact O-CD2 3.4Å; Y172-Y176 PolarHBondContact O-N 3.44Å
173	N	97.4	Very high	96.9	Very high	25 Å²	25	53.1 Å²	53.1	13%	0.134	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-36.3	-178.6	-67.3	-6.6	0	0	0	112.6	Y169 F170 K175 G177 G178 P179	Y169-N173 PolarHBondContact O-N 2.99Å; Y169-N173 PolarHBondContact O-OD1 2.91Å; F170-N173 CarbonylContact O-C 3.55Å; F170-N173 PolarHBondContact O-N 3.08Å; N173-K175 VanDerWaalsContact C-N 3.32Å; N173-K175 PolarHBondContact O-N 2.86Å; N173-G177 CarbonylContact O-C 3.33Å; N173-G177 WeakPolarHBondContact O-CA 3.16Å; N173-G177 PolarHBondContact O-N 2.67Å; N173-G178 PolarHBondContact O-N 3.12Å; N173-P179 WeakPolarHBondContact CB-O 3.41Å; N173-P179 PolarHBondContact ND2-O 3.28Å
174	E	94.2	Very high	96.8	Very high	79 Å²	79	58 Å²	58	37%	0.369	30%	0.303	S	S	.	.	H	α-helix	trans	-63.5	-40.7	175.7	-176.5	176	-141	0	0	111.2	F170 Y172	F170-E174 HydrophobicContact CE1-CB 4.17Å; F170-E174 WeakPolarHBondContact O-CB 3.19Å; F170-E174 PolarHBondContact O-N 3.02Å; Y172-E174 VanDerWaalsContact C-N 3.35Å; Y172-E174 PolarHBondContact O-N 3.16Å
175	K	94.8	Very high	96.8	Very high	149 Å²	149	58.4 Å²	58.4	65%	0.648	31%	0.305	S	S	*	.	H	α-helix	trans	-78	-39.3	-179	-175.8	173.9	178.8	-169.6	0	113.6	Y171 Y172 N173	Y171-K175 WeakPolarHBondContact O-CB 3.29Å; Y171-K175 PolarHBondContact O-N 2.78Å; Y172-K175 PolarHBondContact O-N 2.83Å; N173-K175 VanDerWaalsContact C-N 3.32Å; N173-K175 PolarHBondContact O-N 2.86Å
176	Y	96.9	Very high	96.8	Very high	140 Å²	140	58.8 Å²	58.8	55%	0.549	31%	0.309	S	S	.	.	H	α-helix	trans	-112.1	-0.9	-169.4	-61	-68.7	0	0	0	114	Y172	Y172-Y176 HydrophobicContact CD1-CD2 4.42Å; Y172-Y176 AromaticContact CD2-CD2 3.49Å; Y172-Y176 HydrophobicContact CD2-CD2 3.49Å; Y172-Y176 VanDerWaalsContact CD2-CD2 3.49Å; Y172-Y176 AromaticContact CD2-CE2 3.81Å; Y172-Y176 HydrophobicContact CD2-CE2 3.81Å; Y172-Y176 HydrophobicContact CE1-CD2 4.39Å; Y172-Y176 AromaticContact CE2-CD2 3.45Å; Y172-Y176 HydrophobicContact CE2-CD2 3.45Å; Y172-Y176 VanDerWaalsContact CE2-CD2 3.45Å; Y172-Y176 AromaticContact CE2-CE2 3.83Å; Y172-Y176 HydrophobicContact CE2-CE2 3.83Å; Y172-Y176 HydrophobicContact CE2-CG 4.26Å; Y172-Y176 HydrophobicContact CG-CD2 4Å; Y172-Y176 AromaticContact CZ-CD2 3.93Å; Y172-Y176 WeakPolarHBondContact O-CD2 3.4Å; Y172-Y176 PolarHBondContact O-N 3.44Å
177	G	95.1	Very high	96.7	Very high	53 Å²	53	66.9 Å²	66.9	55%	0.546	35%	0.353	S	S	.	.			trans	82.8	140.2	-170.1	0	0	0	0	0	111.7	N173	N173-G177 CarbonylContact O-C 3.33Å; N173-G177 WeakPolarHBondContact O-CA 3.16Å; N173-G177 PolarHBondContact O-N 2.67Å
178	G	96.6	Very high	96.7	Very high	42 Å²	42	70.7 Å²	70.7	43%	0.433	37%	0.373	S	S	.	.			trans	162.4	-176.2	178.7	0	0	0	0	0	111.9	N173 N180	N173-G178 PolarHBondContact O-N 3.12Å; G178-N180 PolarHBondContact O-N 2.95Å
179	P	97.6	Very high	96.9	Very high	84 Å²	84	67.8 Å²	67.8	55%	0.545	35%	0.353	S	S	.	.			trans	-56.3	133	174.1	-24.8	34.6	0	0	0	111.9	N173 L183	N173-P179 WeakPolarHBondContact CB-O 3.41Å; N173-P179 PolarHBondContact ND2-O 3.28Å; P179-L183 HydrophobicContact CB-CD2 4.3Å
180	N	98.3	Very high	97	Very high	15 Å²	15	66.8 Å²	66.8	8%	0.08	35%	0.352	C	S	.	.			trans	-110.1	4.8	-176.2	69.9	12.3	0	0	0	113.5	F170 G178 N362 H363 D364	F170-N180 HydrophobicContact CE2-CB 4.25Å; F170-N180 WeakPolarHBondContact CE2-O 3.26Å; G178-N180 PolarHBondContact O-N 2.95Å; N180-N362 WeakPolarHBondContact CB-O 3.28Å; N180-N362 WeakPolarHBondContact CB-OD1 3.5Å; N180-N362 PolarHBondContact ND2-OD1 3.5Å; N180-H363 PolarHBondContact ND2-N 3.04Å; N180-H363 PolarHBondContact O-ND1 2.88Å; N180-D364 PolarHBondContact ND2-OD1 2.67Å; N180-D364 PolarHBondContact OD1-N 3.37Å
181	H	98.6	Very high	97	Very high	32 Å²	32	71.4 Å²	71.4	15%	0.148	38%	0.384	C	S	.	.	S	Bend	trans	-151.1	161.6	-178.8	72.6	102	0	0	0	110	L183 D364	H181-L183 VanDerWaalsContact C-N 3.29Å; H181-L183 PolarHBondContact O-N 2.95Å; H181-D364 WeakPolarHBondContact CB-O 3.47Å
182	H	98.6	Very high	97.1	Very high	63 Å²	63	75.2 Å²	75.2	29%	0.292	40%	0.403	S	S	.	.	S	Bend	trans	51.5	44.4	171.5	-66.5	53.1	0	0	0	113.7	L295 T297 N298 T366	H182-L295 PolarHBondContact N-O 3Å; H182-T297 VanDerWaalsContact CE1-C 3.48Å; H182-N298 PolarHBondContact CE1-OD1 3.31Å; H182-T366 PolarHBondContact CE1-OG1 3.06Å; H182-T366 PolarHBondContact NE2-OG1 2.79Å
183	L	98.6	Very high	97.3	Very high	5 Å²	5	69.1 Å²	69.1	3%	0.026	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-60.3	134	-178.8	-64.5	177.7	0	0	0	110.2	L166 F170 P179 H181 L295 H296	L166-L183 HydrophobicContact CB-CB 4.42Å; L166-L183 HydrophobicContact CB-CD1 4.08Å; L166-L183 HydrophobicContact CD1-CB 4.23Å; L166-L183 HydrophobicContact CD2-CB 4.36Å; L166-L183 WeakPolarHBondContact O-CD1 3.43Å; F170-L183 HydrophobicContact CB-CD1 3.84Å; F170-L183 HydrophobicContact CD2-CD1 4.42Å; P179-L183 HydrophobicContact CB-CD2 4.3Å; H181-L183 VanDerWaalsContact C-N 3.29Å; H181-L183 PolarHBondContact O-N 2.95Å; L183-L295 HydrophobicContact CD1-CB 4.39Å; L183-L295 HydrophobicContact CD1-CD2 4.46Å; L183-L295 PolarHBondContact N-O 2.84Å; L183-H296 PolarHBondContact O-CE1 2.87Å; L183-H296 PolarHBondContact O-ND1 3.04Å
184	P	98	Very high	97.3	Very high	102 Å²	102	69.4 Å²	69.4	66%	0.662	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-67.9	149	-173.9	28.2	-35.3	0	0	0	111.7
185	L	98.1	Very high	97.5	Very high	21 Å²	21	66.9 Å²	66.9	11%	0.11	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-81.9	152.5	172.1	-52.6	-172.1	0	0	0	110.6	P164 L166 W189 I201 F292 H296	P164-L185 HydrophobicContact CB-CD2 4.27Å; P164-L185 HydrophobicContact CG-CD2 4.17Å; L166-L185 HydrophobicContact CD1-CD2 4.25Å; L166-L185 HydrophobicContact CD2-CD2 4.41Å; L185-W189 HydrophobicContact CB-CB 4.21Å; L185-W189 HydrophobicContact CB-CG 3.93Å; L185-W189 HydrophobicContact CD1-CD2 3.8Å; L185-W189 HydrophobicContact CD1-CE3 4.37Å; L185-W189 HydrophobicContact CD1-CG 3.93Å; L185-W189 HydrophobicContact CD1-CZ2 4.33Å; L185-I201 HydrophobicContact CD1-CG2 3.81Å; L185-F292 HydrophobicContact CD1-CZ 4.19Å; L185-F292 HydrophobicContact CD2-CE2 3.43Å; L185-F292 VanDerWaalsContact CD2-CE2 3.43Å; L185-F292 HydrophobicContact CD2-CZ 3.73Å; L185-H296 VanDerWaalsContact CD2-CE1 3.5Å; L185-H296 WeakPolarHBondContact CD2-CE1 3.45Å; L185-H296 WeakPolarHBondContact CD2-ND1 3.09Å; L185-H296 VanDerWaalsContact CG-CE1 3.4Å; L185-H296 WeakPolarHBondContact CG-CE1 3.5Å
186	P	96.3	Very high	97.7	Very high	44 Å²	44	59.8 Å²	59.8	29%	0.286	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-56.5	141.4	169.7	-21.9	31.9	0	0	0	111.7	N188 W189	P186-N188 PolarHBondContact O-N 3.44Å; P186-W189 VanDerWaalsContact O-CB 3.25Å; P186-W189 WeakPolarHBondContact O-CB 3.37Å; P186-W189 PolarHBondContact O-N 2.92Å
187	D	96.4	Very high	97.8	Very high	172 Å²	172	53.1 Å²	53.1	92%	0.92	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-36.9	-175.3	-66.4	-21.5	0	0	0	113.8
188	N	96.9	Very high	98	Very high	84 Å²	84	55 Å²	55	45%	0.449	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	18.6	-179.6	66.8	-24.3	0	0	0	114.1	P186 K190 S191 Q192	P186-N188 PolarHBondContact O-N 3.44Å; N188-K190 PolarHBondContact O-N 3.25Å; N188-K190 VanDerWaalsContact O-N 3.1Å; N188-S191 PolarHBondContact O-N 3.03Å; N188-S191 PolarHBondContact O-OG 2.79Å; N188-Q192 PolarHBondContact ND2-NE2 3.05Å; N188-Q192 VanDerWaalsContact ND2-NE2 3.16Å; N188-Q192 PolarHBondContact O-N 3.09Å; N188-Q192 PolarHBondContact OD1-NE2 3.11Å
189	W	98.1	Very high	98.1	Very high	16 Å²	16	53.1 Å²	53.1	6%	0.061	29%	0.285	C	S	.	.	H	α-helix	trans	-52.9	-37.6	-176.8	73	-91.6	0	0	0	112.8	L185 P186 S191 Q192 V193 R198 I201 Q202	L185-W189 HydrophobicContact CB-CB 4.21Å; L185-W189 HydrophobicContact CB-CG 3.93Å; L185-W189 HydrophobicContact CD1-CD2 3.8Å; L185-W189 HydrophobicContact CD1-CE3 4.37Å; L185-W189 HydrophobicContact CD1-CG 3.93Å; L185-W189 HydrophobicContact CD1-CZ2 4.33Å; P186-W189 VanDerWaalsContact O-CB 3.25Å; P186-W189 WeakPolarHBondContact O-CB 3.37Å; P186-W189 PolarHBondContact O-N 2.92Å; W189-S191 PolarHBondContact O-N 3.39Å; W189-S191 VanDerWaalsContact O-N 3.14Å; W189-Q192 PolarHBondContact O-N 2.89Å; W189-V193 HydrophobicContact CE3-CG2 3.94Å; W189-V193 HydrophobicContact CZ3-CG2 4.07Å; W189-V193 WeakPolarHBondContact O-CG2 3.48Å; W189-V193 PolarHBondContact O-N 2.86Å; W189-R198 HydrophobicContact CH2-CG 4.25Å; W189-R198 HydrophobicContact CZ3-CG 4.04Å; W189-I201 HydrophobicContact CE3-CD1 3.86Å; W189-I201 HydrophobicContact CE3-CG2 4.14Å; W189-I201 HydrophobicContact CH2-CB 3.92Å; W189-I201 HydrophobicContact CH2-CG2 3.43Å; W189-I201 VanDerWaalsContact CH2-CG2 3.43Å; W189-I201 HydrophobicContact CZ2-CG2 4.02Å; W189-I201 HydrophobicContact CZ3-CB 3.71Å; W189-I201 HydrophobicContact CZ3-CD1 3.75Å; W189-I201 HydrophobicContact CZ3-CG1 4.32Å; W189-I201 HydrophobicContact CZ3-CG2 3.5Å; W189-Q202 HydrophobicContact CH2-CG 4.05Å
190	K	98.1	Very high	98.2	Very high	112 Å²	112	49.1 Å²	49.1	49%	0.487	26%	0.259	S	S	.	.	H	α-helix	trans	-59.6	-27.1	-179.3	-68.6	-175.2	180	177.3	0	114	N188 R198	N188-K190 PolarHBondContact O-N 3.25Å; N188-K190 VanDerWaalsContact O-N 3.1Å; K190-R198 PolarHBondContact O-NH1 3.46Å
191	S	97.1	Very high	98.2	Very high	97 Å²	97	48.4 Å²	48.4	68%	0.678	26%	0.256	S	S	*	.	H	α-helix	trans	-93.7	-7.1	176.7	55.4	0	0	0	0	114	N188 W189	N188-S191 PolarHBondContact O-N 3.03Å; N188-S191 PolarHBondContact O-OG 2.79Å; W189-S191 PolarHBondContact O-N 3.39Å; W189-S191 VanDerWaalsContact O-N 3.14Å
192	Q	98	Very high	98.2	Very high	104 Å²	104	51.2 Å²	51.2	49%	0.486	27%	0.269	S	S	.	.	H	α-helix	trans	-101.2	-9.4	-178.4	-67.6	179.2	-17.1	0	0	113.2	N188 W189	N188-Q192 PolarHBondContact ND2-NE2 3.05Å; N188-Q192 VanDerWaalsContact ND2-NE2 3.16Å; N188-Q192 PolarHBondContact O-N 3.09Å; N188-Q192 PolarHBondContact OD1-NE2 3.11Å; W189-Q192 PolarHBondContact O-N 2.89Å
193	V	98.8	Very high	98.3	Very high	12 Å²	12	48.5 Å²	48.5	7%	0.073	26%	0.256	C	S	.	.	S	Bend	trans	-117.3	151.1	-176	-55.6	0	0	0	0	111.2	N162 W189 T197 R198 I201	N162-V193 WeakPolarHBondContact O-CG1 3.38Å; N162-V193 VanDerWaalsContact OD1-CA 3.29Å; N162-V193 WeakPolarHBondContact OD1-CA 3.49Å; N162-V193 WeakPolarHBondContact OD1-CB 3.33Å; W189-V193 HydrophobicContact CE3-CG2 3.94Å; W189-V193 HydrophobicContact CZ3-CG2 4.07Å; W189-V193 WeakPolarHBondContact O-CG2 3.48Å; W189-V193 PolarHBondContact O-N 2.86Å; V193-T197 HydrophobicContact CB-CG2 3.8Å; V193-T197 HydrophobicContact CG1-CG2 4.03Å; V193-T197 HydrophobicContact CG2-CG2 4.39Å; V193-R198 HydrophobicContact CG2-CB 3.8Å; V193-R198 HydrophobicContact CG2-CG 4.46Å; V193-I201 HydrophobicContact CG1-CD1 4.36Å
194	E	98.9	Very high	98.2	Very high	31 Å²	31	48.4 Å²	48.4	15%	0.145	26%	0.255	C	S	.	.			trans	-64.6	157.2	174.9	-69.5	-56.9	115.8	0	0	111.1	N153 N155 V157 L159 N162 E196 T197 R198	N153-E194 WeakPolarHBondContact ND2-CG 3.16Å; N153-E194 PolarHBondContact ND2-OE2 2.97Å; N155-E194 WeakPolarHBondContact CB-OE2 3.36Å; N155-E194 PolarHBondContact ND2-OE2 3Å; V157-E194 HydrophobicContact CB-CG 3.75Å; V157-E194 HydrophobicContact CG1-CG 3.73Å; V157-E194 HydrophobicContact CG2-CG 4.04Å; L159-E194 HydrophobicContact CD2-CB 3.82Å; L159-E194 HydrophobicContact CD2-CG 4.1Å; N162-E194 PolarHBondContact OD1-N 3.3Å; E194-E196 PolarHBondContact O-N 3.29Å; E194-T197 PolarHBondContact O-N 3.11Å; E194-R198 WeakPolarHBondContact O-CB 3.38Å; E194-R198 PolarHBondContact O-N 3.25Å
195	P	98.9	Very high	98.2	Very high	27 Å²	27	50.4 Å²	50.4	18%	0.175	25%	0.25	C	C	.	.	H	α-helix	trans	-60	-34.2	-178.4	24	-33.6	0	0	0	113	V55 A199	V55-P195 HydrophobicContact CB-CG 4.36Å; V55-P195 HydrophobicContact CG2-CG 3.5Å; V55-P195 VanDerWaalsContact CG2-CG 3.5Å; P195-A199 WeakPolarHBondContact O-CB 3.42Å; P195-A199 PolarHBondContact O-N 3.16Å
196	E	98.9	Very high	98.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-50.1	175.2	-59.8	82.5	-176.7	0	0	111.4	S54 V55 L60 M129 N153 L159 E194 R198 A199 V200	S54-E196 WeakPolarHBondContact CA-OE1 3.42Å; S54-E196 VanDerWaalsContact CB-OE1 3.26Å; S54-E196 WeakPolarHBondContact CB-OE1 3.31Å; V55-E196 PolarHBondContact N-OE1 2.9Å; L60-E196 HydrophobicContact CD1-CG 4.38Å; L60-E196 HydrophobicContact CD2-CB 4.12Å; L60-E196 HydrophobicContact CD2-CG 4.31Å; M129-E196 WeakPolarHBondContact O-CG 3.36Å; N153-E196 PolarHBondContact ND2-OE2 3.47Å; L159-E196 HydrophobicContact CD1-CB 3.73Å; L159-E196 HydrophobicContact CD1-CG 4.09Å; L159-E196 HydrophobicContact CD2-CB 4.18Å; E194-E196 PolarHBondContact O-N 3.29Å; E196-R198 VanDerWaalsContact C-N 3.31Å; E196-R198 PolarHBondContact O-N 2.8Å; E196-A199 WeakPolarHBondContact O-CB 3.27Å; E196-A199 PolarHBondContact O-N 2.87Å; E196-V200 PolarHBondContact O-N 3.09Å
197	T	98.9	Very high	98.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-39.9	176.5	-62.7	0	0	0	0	111.2	N162 F163 V193 E194 V200 I201	N162-T197 HydrophobicContact CB-CG2 4.45Å; N162-T197 VanDerWaalsContact OD1-CB 3.27Å; N162-T197 WeakPolarHBondContact OD1-CB 3.46Å; N162-T197 PolarHBondContact OD1-OG1 3.17Å; N162-T197 VanDerWaalsContact OD1-OG1 3.14Å; F163-T197 HydrophobicContact CD1-CG2 3.98Å; F163-T197 HydrophobicContact CD2-CG2 3.89Å; F163-T197 HydrophobicContact CE1-CG2 3.98Å; F163-T197 HydrophobicContact CE2-CG2 3.87Å; F163-T197 HydrophobicContact CG-CG2 3.94Å; F163-T197 HydrophobicContact CZ-CG2 3.92Å; V193-T197 HydrophobicContact CB-CG2 3.8Å; V193-T197 HydrophobicContact CG1-CG2 4.03Å; V193-T197 HydrophobicContact CG2-CG2 4.39Å; E194-T197 PolarHBondContact O-N 3.11Å; T197-V200 PolarHBondContact O-N 2.73Å; T197-I201 HydrophobicContact CG2-CD1 3.85Å; T197-I201 HydrophobicContact CG2-CG1 4.35Å; T197-I201 VanDerWaalsContact O-CG1 3.26Å; T197-I201 WeakPolarHBondContact O-CG1 3.43Å; T197-I201 PolarHBondContact O-N 2.73Å
198	R	98.9	Very high	98.4	Very high	92 Å²	92	46 Å²	46	35%	0.347	23%	0.23	S	C	.	.	H	α-helix	trans	-60.2	-48.1	174.8	-172.8	170.4	59	-130.9	-3.3	111.9	W189 K190 V193 E194 E196 V200 I201 Q202	W189-R198 HydrophobicContact CH2-CG 4.25Å; W189-R198 HydrophobicContact CZ3-CG 4.04Å; K190-R198 PolarHBondContact O-NH1 3.46Å; V193-R198 HydrophobicContact CG2-CB 3.8Å; V193-R198 HydrophobicContact CG2-CG 4.46Å; E194-R198 WeakPolarHBondContact O-CB 3.38Å; E194-R198 PolarHBondContact O-N 3.25Å; E196-R198 VanDerWaalsContact C-N 3.31Å; E196-R198 PolarHBondContact O-N 2.8Å; R198-V200 VanDerWaalsContact C-N 3.31Å; R198-V200 PolarHBondContact O-N 3.06Å; R198-I201 PolarHBondContact O-N 2.84Å; R198-Q202 VanDerWaalsContact O-CG 3.31Å; R198-Q202 WeakPolarHBondContact O-CG 3.29Å; R198-Q202 PolarHBondContact O-N 2.97Å
199	A	98.9	Very high	98.5	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	21%	0.209	C	C	.	.	H	α-helix	trans	-58.1	-45.4	178.7	0	0	0	0	0	111.1	I51 L60 P195 E196 Q202 W203	I51-A199 HydrophobicContact CD1-CB 4.4Å; I51-A199 HydrophobicContact CG1-CB 4.25Å; I51-A199 VanDerWaalsContact O-CB 3.31Å; I51-A199 WeakPolarHBondContact O-CB 3.16Å; L60-A199 HydrophobicContact CD2-CB 4.23Å; P195-A199 WeakPolarHBondContact O-CB 3.42Å; P195-A199 PolarHBondContact O-N 3.16Å; E196-A199 WeakPolarHBondContact O-CB 3.27Å; E196-A199 PolarHBondContact O-N 2.87Å; A199-Q202 PolarHBondContact O-N 2.75Å; A199-W203 WeakPolarHBondContact O-CB 3.37Å; A199-W203 PolarHBondContact O-N 2.87Å
200	V	98.9	Very high	98.5	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-66.5	-44.6	177.7	173.2	0	0	0	0	112	I51 L126 M129 F163 E196 T197 R198 Q202 W203 I204 M289	I51-V200 HydrophobicContact CD1-CG2 3.92Å; L126-V200 HydrophobicContact CD2-CG2 4.23Å; M129-V200 HydrophobicContact CE-CB 4.17Å; M129-V200 HydrophobicContact CE-CG2 3.75Å; M129-V200 HydrophobicContact CG-CG2 4.04Å; M129-V200 HydrophobicContact SD-CG2 3.94Å; F163-V200 HydrophobicContact CE1-CG1 4.2Å; F163-V200 HydrophobicContact CZ-CB 4.34Å; F163-V200 HydrophobicContact CZ-CG1 4.01Å; E196-V200 PolarHBondContact O-N 3.09Å; T197-V200 PolarHBondContact O-N 2.73Å; R198-V200 VanDerWaalsContact C-N 3.31Å; R198-V200 PolarHBondContact O-N 3.06Å; V200-Q202 VanDerWaalsContact C-N 3.27Å; V200-Q202 PolarHBondContact O-N 2.73Å; V200-W203 HydrophobicContact CG1-CE3 4.49Å; V200-W203 WeakPolarHBondContact O-CB 3.32Å; V200-W203 PolarHBondContact O-N 2.8Å; V200-W203 VanDerWaalsContact O-N 3.11Å; V200-I204 HydrophobicContact CG1-CG2 4.1Å; V200-I204 WeakPolarHBondContact O-CG2 3.23Å; V200-I204 PolarHBondContact O-N 3.24Å; V200-M289 HydrophobicContact CG1-SD 3.85Å
201	I	98.9	Very high	98.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59	-41.1	176.6	-68.3	172.4	0	0	0	111	F163 P164 L185 W189 V193 T197 R198 R205 F292	F163-I201 HydrophobicContact CD1-CD1 4.03Å; F163-I201 HydrophobicContact CD1-CG1 3.83Å; F163-I201 HydrophobicContact CE1-CD1 4.34Å; F163-I201 HydrophobicContact CE1-CG1 3.72Å; P164-I201 HydrophobicContact CG-CD1 4.37Å; L185-I201 HydrophobicContact CD1-CG2 3.81Å; W189-I201 HydrophobicContact CE3-CD1 3.86Å; W189-I201 HydrophobicContact CE3-CG2 4.14Å; W189-I201 HydrophobicContact CH2-CB 3.92Å; W189-I201 HydrophobicContact CH2-CG2 3.43Å; W189-I201 VanDerWaalsContact CH2-CG2 3.43Å; W189-I201 HydrophobicContact CZ2-CG2 4.02Å; W189-I201 HydrophobicContact CZ3-CB 3.71Å; W189-I201 HydrophobicContact CZ3-CD1 3.75Å; W189-I201 HydrophobicContact CZ3-CG1 4.32Å; W189-I201 HydrophobicContact CZ3-CG2 3.5Å; V193-I201 HydrophobicContact CG1-CD1 4.36Å; T197-I201 HydrophobicContact CG2-CD1 3.85Å; T197-I201 HydrophobicContact CG2-CG1 4.35Å; T197-I201 VanDerWaalsContact O-CG1 3.26Å; T197-I201 WeakPolarHBondContact O-CG1 3.43Å; T197-I201 PolarHBondContact O-N 2.73Å; R198-I201 PolarHBondContact O-N 2.84Å; I201-R205 WeakPolarHBondContact O-CB 3.23Å; I201-R205 VanDerWaalsContact O-CG 3.24Å; I201-R205 WeakPolarHBondContact O-CG 3.48Å; I201-R205 PolarHBondContact O-N 3.07Å; I201-F292 HydrophobicContact CB-CE1 4.37Å; I201-F292 HydrophobicContact CB-CZ 4.44Å; I201-F292 HydrophobicContact CD1-CE1 4.35Å; I201-F292 HydrophobicContact CD1-CZ 3.99Å; I201-F292 HydrophobicContact CG1-CE1 3.67Å; I201-F292 HydrophobicContact CG1-CZ 3.76Å; I201-F292 HydrophobicContact CG2-CE1 4.22Å; I201-F292 HydrophobicContact CG2-CZ 3.95Å
202	Q	98.8	Very high	98.7	Very high	90 Å²	90	31.8 Å²	31.8	42%	0.421	15%	0.153	S	C	.	.	H	α-helix	trans	-66.5	-40.6	176.6	-69.8	178.6	-62.2	0	0	111.6	W189 R198 A199 V200 R205 S206	W189-Q202 HydrophobicContact CH2-CG 4.05Å; R198-Q202 VanDerWaalsContact O-CG 3.31Å; R198-Q202 WeakPolarHBondContact O-CG 3.29Å; R198-Q202 PolarHBondContact O-N 2.97Å; A199-Q202 PolarHBondContact O-N 2.75Å; V200-Q202 VanDerWaalsContact C-N 3.27Å; V200-Q202 PolarHBondContact O-N 2.73Å; Q202-R205 PolarHBondContact O-N 3.45Å; Q202-S206 PolarHBondContact O-N 2.91Å; Q202-S206 VanDerWaalsContact O-N 3.15Å
203	W	98.9	Very high	98.7	Very high	6 Å²	6	26.9 Å²	26.9	2%	0.023	13%	0.13	C	C	.	.	H	α-helix	trans	-64.8	-48.8	178.8	176.6	48.5	0	0	0	112.6	Y49 I51 V62 K80 V82 H124 L126 A199 V200 R205 S206 F209	Y49-W203 AromaticContact CE2-NE1 3.95Å; Y49-W203 AromaticContact CZ-NE1 3.86Å; Y49-W203 PolarHBondContact OH-NE1 2.83Å; I51-W203 HydrophobicContact CB-CB 4.15Å; I51-W203 HydrophobicContact CB-CG 4.36Å; I51-W203 HydrophobicContact CD1-CB 4.2Å; I51-W203 HydrophobicContact CD1-CD2 4.22Å; I51-W203 HydrophobicContact CD1-CE3 4.03Å; I51-W203 HydrophobicContact CD1-CG 4.33Å; I51-W203 HydrophobicContact CG2-CB 3.88Å; I51-W203 HydrophobicContact CG2-CD2 4.09Å; I51-W203 HydrophobicContact CG2-CG 3.59Å; V62-W203 HydrophobicContact CG1-CZ2 3.98Å; V62-W203 HydrophobicContact CG2-CZ2 4.22Å; K80-W203 HydrophobicContact CB-CH2 3.72Å; K80-W203 HydrophobicContact CB-CZ2 4.13Å; K80-W203 HydrophobicContact CD-CE3 4.38Å; K80-W203 HydrophobicContact CD-CH2 3.66Å; K80-W203 HydrophobicContact CD-CZ2 4.24Å; K80-W203 HydrophobicContact CD-CZ3 3.73Å; K80-W203 HydrophobicContact CG-CH2 4.17Å; V82-W203 HydrophobicContact CG2-CH2 4.3Å; V82-W203 HydrophobicContact CG2-CZ3 3.84Å; H124-W203 HydrophobicContact CB-CH2 4.48Å; H124-W203 HydrophobicContact CB-CZ2 3.75Å; L126-W203 HydrophobicContact CB-CH2 4.22Å; L126-W203 HydrophobicContact CB-CZ3 4.38Å; L126-W203 HydrophobicContact CD2-CZ3 4.05Å; A199-W203 WeakPolarHBondContact O-CB 3.37Å; A199-W203 PolarHBondContact O-N 2.87Å; V200-W203 HydrophobicContact CG1-CE3 4.49Å; V200-W203 WeakPolarHBondContact O-CB 3.32Å; V200-W203 PolarHBondContact O-N 2.8Å; V200-W203 VanDerWaalsContact O-N 3.11Å; W203-R205 PolarHBondContact O-N 2.88Å; W203-R205 VanDerWaalsContact O-N 3.12Å; W203-S206 WeakPolarHBondContact O-CB 3.03Å; W203-S206 PolarHBondContact O-N 3.4Å; W203-S206 PolarHBondContact O-OG 3.41Å; W203-F209 HydrophobicContact CD2-CE2 4.18Å; W203-F209 HydrophobicContact CD2-CZ 4.29Å; W203-F209 AromaticContact CE2-CE2 3.85Å; W203-F209 AromaticContact CE2-CZ 3.5Å; W203-F209 HydrophobicContact CG-CE2 4.49Å; W203-F209 HydrophobicContact CH2-CZ 4.3Å; W203-F209 HydrophobicContact CZ2-CE1 4.27Å; W203-F209 HydrophobicContact CZ2-CE2 4.17Å; W203-F209 AromaticContact CZ2-CZ 3.5Å; W203-F209 HydrophobicContact CZ2-CZ 3.5Å; W203-F209 AromaticContact NE1-CE2 3.93Å; W203-F209 AromaticContact NE1-CZ 3.6Å
204	I	98.2	Very high	98.7	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-67	-15.9	179.5	73.8	170.6	0	0	0	113.5	K80 V200 F209 F292 T297	K80-I204 HydrophobicContact CD-CG2 4.3Å; V200-I204 HydrophobicContact CG1-CG2 4.1Å; V200-I204 WeakPolarHBondContact O-CG2 3.23Å; V200-I204 PolarHBondContact O-N 3.24Å; I204-F209 HydrophobicContact CB-CD2 4.34Å; I204-F292 HydrophobicContact CD1-CD1 3.55Å; I204-F292 HydrophobicContact CD1-CE1 3.35Å; I204-F292 HydrophobicContact CG1-CE1 4.32Å; I204-T297 HydrophobicContact CD1-CG2 3.87Å; I204-T297 HydrophobicContact CG1-CG2 4.05Å
205	R	98	Very high	98.7	Very high	145 Å²	145	24.9 Å²	24.9	55%	0.547	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-14.9	172.7	-72.2	177.8	61.8	175.1	1.6	113.5	I201 Q202 W203	I201-R205 WeakPolarHBondContact O-CB 3.23Å; I201-R205 VanDerWaalsContact O-CG 3.24Å; I201-R205 WeakPolarHBondContact O-CG 3.48Å; I201-R205 PolarHBondContact O-N 3.07Å; Q202-R205 PolarHBondContact O-N 3.45Å; W203-R205 PolarHBondContact O-N 2.88Å; W203-R205 VanDerWaalsContact O-N 3.12Å
206	S	97.8	Very high	98.7	Very high	78 Å²	78	23.7 Å²	23.7	55%	0.545	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-16.4	-177.2	68.3	0	0	0	0	113.5	Q202 W203	Q202-S206 PolarHBondContact O-N 2.91Å; Q202-S206 VanDerWaalsContact O-N 3.15Å; W203-S206 WeakPolarHBondContact O-CB 3.03Å; W203-S206 PolarHBondContact O-N 3.4Å; W203-S206 PolarHBondContact O-OG 3.41Å
207	L	97.9	Very high	98.7	Very high	38 Å²	38	23.8 Å²	23.8	20%	0.199	11%	0.113	C	C	.	.	S	Bend	trans	-136.9	148.7	-178.8	-63.2	170.5	0	0	0	108.9	F209	L207-F209 VanDerWaalsContact C-N 3.25Å; L207-F209 HydrophobicContact CB-CD2 4.12Å; L207-F209 HydrophobicContact CB-CE2 3.78Å; L207-F209 HydrophobicContact CB-CZ 3.99Å; L207-F209 HydrophobicContact CD1-CE1 4.29Å; L207-F209 HydrophobicContact CD1-CE2 4.11Å; L207-F209 HydrophobicContact CD1-CZ 3.62Å; L207-F209 HydrophobicContact CG-CE2 4.48Å; L207-F209 HydrophobicContact CG-CZ 4.42Å; L207-F209 PolarHBondContact O-N 3.37Å
208	N	98.5	Very high	98.5	Very high	29 Å²	29	24.8 Å²	24.8	16%	0.155	12%	0.123	C	C	.	.			trans	-84	65.4	179.2	-170.7	22.3	0	0	0	111.4	V210 N298	N208-V210 PolarHBondContact O-N 3.49Å; N208-N298 PolarHBondContact OD1-ND2 3.24Å
209	F	98.9	Very high	98.5	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.009	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	131.2	179.1	-70.4	-67.5	0	0	0	111.8	E78 K80 H124 W203 I204 L207 N298 C299	E78-F209 HydrophobicContact CB-CD1 3.98Å; E78-F209 HydrophobicContact CB-CE1 4.42Å; E78-F209 WeakPolarHBondContact O-CA 3.38Å; K80-F209 HydrophobicContact CB-CD1 3.86Å; K80-F209 HydrophobicContact CB-CE1 3.59Å; K80-F209 HydrophobicContact CB-CZ 4.17Å; K80-F209 HydrophobicContact CD-CB 4.48Å; K80-F209 HydrophobicContact CD-CD1 3.81Å; K80-F209 HydrophobicContact CD-CD2 3.74Å; K80-F209 HydrophobicContact CD-CE1 3.87Å; K80-F209 HydrophobicContact CD-CE2 3.79Å; K80-F209 HydrophobicContact CD-CG 3.74Å; K80-F209 HydrophobicContact CD-CZ 3.86Å; K80-F209 HydrophobicContact CG-CD1 3.85Å; K80-F209 HydrophobicContact CG-CE1 4Å; K80-F209 HydrophobicContact CG-CG 4.2Å; K80-F209 HydrophobicContact CG-CZ 4.45Å; H124-F209 HydrophobicContact CB-CE1 4.15Å; H124-F209 HydrophobicContact CB-CZ 4.42Å; H124-F209 AromaticContact CD2-CE1 3.56Å; W203-F209 HydrophobicContact CD2-CE2 4.18Å; W203-F209 HydrophobicContact CD2-CZ 4.29Å; W203-F209 AromaticContact CE2-CE2 3.85Å; W203-F209 AromaticContact CE2-CZ 3.5Å; W203-F209 HydrophobicContact CG-CE2 4.49Å; W203-F209 HydrophobicContact CH2-CZ 4.3Å; W203-F209 HydrophobicContact CZ2-CE1 4.27Å; W203-F209 HydrophobicContact CZ2-CE2 4.17Å; W203-F209 AromaticContact CZ2-CZ 3.5Å; W203-F209 HydrophobicContact CZ2-CZ 3.5Å; W203-F209 AromaticContact NE1-CE2 3.93Å; W203-F209 AromaticContact NE1-CZ 3.6Å; I204-F209 HydrophobicContact CB-CD2 4.34Å; L207-F209 VanDerWaalsContact C-N 3.25Å; L207-F209 HydrophobicContact CB-CD2 4.12Å; L207-F209 HydrophobicContact CB-CE2 3.78Å; L207-F209 HydrophobicContact CB-CZ 3.99Å; L207-F209 HydrophobicContact CD1-CE1 4.29Å; L207-F209 HydrophobicContact CD1-CE2 4.11Å; L207-F209 HydrophobicContact CD1-CZ 3.62Å; L207-F209 HydrophobicContact CG-CE2 4.48Å; L207-F209 HydrophobicContact CG-CZ 4.42Å; L207-F209 PolarHBondContact O-N 3.37Å; F209-N298 CarbonylContact O-C 3.55Å; F209-C299 HydrophobicContact CB-CB 3.84Å; F209-C299 WeakPolarHBondContact O-CA 3.46Å; F209-C299 VanDerWaalsContact O-CB 3.23Å; F209-C299 WeakPolarHBondContact O-CB 3.37Å; F209-C299 PolarHBondContact O-N 3.25Å
210	V	98.9	Very high	98.5	Very high	5 Å²	5	20.4 Å²	20.4	3%	0.03	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-49.8	-178.1	-177	0	0	0	0	110.8	P77 E78 N208 F300 V335 F374 L376	P77-V210 HydrophobicContact CB-CB 4.47Å; P77-V210 HydrophobicContact CB-CG2 3.97Å; E78-V210 PolarHBondContact O-N 3.28Å; N208-V210 PolarHBondContact O-N 3.49Å; V210-F300 PolarHBondContact O-N 3.3Å; V210-V335 HydrophobicContact CB-CG2 3.72Å; V210-V335 HydrophobicContact CG1-CG2 3.68Å; V210-F374 HydrophobicContact CB-CB 4.41Å; V210-F374 HydrophobicContact CG1-CB 3.8Å; V210-F374 HydrophobicContact CG1-CG 4.49Å; V210-F374 HydrophobicContact CG2-CB 3.65Å; V210-F374 HydrophobicContact CG2-CD1 4.36Å; V210-F374 HydrophobicContact CG2-CD2 3.57Å; V210-F374 HydrophobicContact CG2-CE2 4.33Å; V210-F374 HydrophobicContact CG2-CG 3.6Å; V210-L376 HydrophobicContact CG1-CD1 4.3Å; V210-L376 HydrophobicContact CG1-CD2 4.05Å; V210-L376 HydrophobicContact CG1-CG 4.02Å
211	L	98.9	Very high	98.5	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.7	-176.6	-176.4	67.3	0	0	0	110.8	V79 K80 L251 F300 F331 Q334 V335 L376	V79-L211 WeakPolarHBondContact CA-O 3.5Å; V79-L211 HydrophobicContact CG1-CB 4.13Å; K80-L211 PolarHBondContact N-O 3.13Å; K80-L211 VanDerWaalsContact N-O 3.13Å; L211-L251 HydrophobicContact CD1-CD1 3.9Å; L211-L251 HydrophobicContact CD1-CD2 4.13Å; L211-F300 HydrophobicContact CD1-CB 4.36Å; L211-F331 HydrophobicContact CD1-CE1 4.31Å; L211-F331 HydrophobicContact CD1-CE2 4.22Å; L211-F331 HydrophobicContact CD1-CZ 3.69Å; L211-F331 HydrophobicContact CD2-CD1 4.42Å; L211-F331 HydrophobicContact CD2-CE1 4.05Å; L211-F331 HydrophobicContact CD2-CE2 4.48Å; L211-F331 HydrophobicContact CD2-CZ 4.08Å; L211-F331 WeakPolarHBondContact CD2-O 3.47Å; L211-F331 HydrophobicContact CG-CE1 3.89Å; L211-F331 HydrophobicContact CG-CZ 3.79Å; L211-Q334 HydrophobicContact CD2-CB 3.87Å; L211-V335 HydrophobicContact CB-CB 4.16Å; L211-V335 HydrophobicContact CB-CG2 3.98Å; L211-V335 HydrophobicContact CD2-CB 4.17Å; L211-L376 HydrophobicContact CB-CD1 4.41Å; L211-L376 HydrophobicContact CD1-CD1 4.08Å
212	S	99	Very high	98.5	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.007	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	156.5	177.6	-174.1	0	0	0	0	114	K80 C299 F300 E301 I302 F331	K80-S212 WeakPolarHBondContact CG-OG 3.31Å; K80-S212 VanDerWaalsContact NZ-CB 3.26Å; K80-S212 PolarHBondContact NZ-OG 3Å; K80-S212 WeakPolarHBondContact O-CA 3.3Å; K80-S212 WeakPolarHBondContact O-CB 3.37Å; K80-S212 PolarHBondContact O-OG 3Å; S212-C299 WeakPolarHBondContact CB-SG 3.4Å; S212-F300 PolarHBondContact N-O 3.48Å; S212-E301 VanDerWaalsContact O-CA 3.27Å; S212-E301 WeakPolarHBondContact O-CA 3.32Å; S212-E301 PolarHBondContact OG-OE2 2.78Å; S212-E301 VanDerWaalsContact OG-OE2 3.1Å; S212-I302 PolarHBondContact O-N 2.98Å; S212-I302 VanDerWaalsContact O-N 3.08Å; S212-F331 VanDerWaalsContact O-CZ 3.3Å; S212-F331 WeakPolarHBondContact O-CZ 3.47Å
213	A	98.9	Very high	98.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147	156.4	0	0	0	0	0	112.4	K80 Y81 V82 I302 L304 F331	K80-A213 PolarHBondContact O-N 2.82Å; Y81-A213 WeakPolarHBondContact CA-O 3.37Å; Y81-A213 HydrophobicContact CD1-CB 3.88Å; Y81-A213 HydrophobicContact CE1-CB 3.72Å; V82-A213 PolarHBondContact N-O 3Å; A213-I302 CarbonylContact C-O 3.33Å; A213-I302 WeakPolarHBondContact CA-O 3.34Å; A213-I302 HydrophobicContact CB-CG1 3.87Å; A213-L304 HydrophobicContact CB-CD1 3.56Å; A213-L304 HydrophobicContact CB-CG 3.97Å; A213-F331 HydrophobicContact CB-CD1 4.37Å; A213-F331 HydrophobicContact CB-CE1 3.71Å; A213-F331 HydrophobicContact CB-CZ 3.99Å
214	N	98.9	Very high	98.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.2	168	72.9	75.4	0	0	0	110.1	V82 H216 M289 E301 I302 T303 L304	V82-N214 HydrophobicContact CB-CB 4.35Å; V82-N214 CarbonylContact O-C 3.5Å; V82-N214 VanDerWaalsContact O-CA 3.23Å; V82-N214 WeakPolarHBondContact O-CA 3.29Å; N214-H216 PolarHBondContact OD1-CD2 2.8Å; N214-H216 PolarHBondContact OD1-NE2 3.17Å; N214-M289 HydrophobicContact CB-CE 3.34Å; N214-E301 PolarHBondContact ND2-OE1 3.43Å; N214-I302 PolarHBondContact N-O 3.18Å; N214-I302 PolarHBondContact ND2-O 2.84Å; N214-T303 PolarHBondContact ND2-OG1 2.89Å; N214-T303 WeakPolarHBondContact O-CA 3.11Å; N214-T303 WeakPolarHBondContact OD1-CG2 3.2Å; N214-T303 PolarHBondContact OD1-OG1 2.93Å; N214-L304 PolarHBondContact O-N 3.31Å
215	L	98.9	Very high	98.5	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.1	-167.1	-70.1	69.5	0	0	0	110.8	Y81 V82 L96 L306 L328	Y81-L215 HydrophobicContact CD1-CD1 3.68Å; Y81-L215 HydrophobicContact CE1-CD1 4.37Å; Y81-L215 HydrophobicContact CG-CD1 4.35Å; V82-L215 PolarHBondContact O-N 2.86Å; L96-L215 HydrophobicContact CD1-CD1 4.45Å; L96-L215 HydrophobicContact CD1-CD2 4.33Å; L96-L215 HydrophobicContact CD2-CD2 4.03Å; L96-L215 HydrophobicContact CG-CD2 3.99Å; L215-L306 HydrophobicContact CB-CD1 3.94Å; L215-L306 HydrophobicContact CD2-CD1 3.75Å; L215-L306 HydrophobicContact CG-CD1 3.94Å; L215-L328 HydrophobicContact CD2-CD2 4.39Å
216	H	98.9	Very high	98.6	Very high	3 Å²	3	10 Å²	10	1%	0.014	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	175.1	-172.9	-80.1	-94.8	0	0	0	112.7	M85 H86 E89 N214 T303 L304 E305 L306	M85-H216 VanDerWaalsContact CG-CE1 3.44Å; M85-H216 WeakPolarHBondContact CG-CE1 3.45Å; M85-H216 WeakPolarHBondContact CG-NE2 3.39Å; M85-H216 VanDerWaalsContact SD-CE1 3.51Å; M85-H216 PolarHBondContact SD-NE2 3.17Å; H86-H216 AromaticContact CE1-CE1 3.32Å; H86-H216 PolarHBondContact CE1-CE1 3.4Å; H86-H216 AromaticContact CE1-ND1 3.63Å; H86-H216 AromaticContact ND1-CE1 3.31Å; H86-H216 PolarHBondContact ND1-CE1 3.43Å; H86-H216 VanDerWaalsContact ND1-CE1 3.31Å; H86-H216 AromaticContact ND1-ND1 3.28Å; H86-H216 PolarHBondContact ND1-ND1 3.04Å; E89-H216 IonicContact OE2-CE1 2.76Å; E89-H216 IonicContact OE2-CG 3.53Å; E89-H216 IonicContact OE2-ND1 2.73Å; E89-H216 PolarHBondContact OE2-ND1 3.08Å; N214-H216 PolarHBondContact OD1-CD2 2.8Å; N214-H216 PolarHBondContact OD1-NE2 3.17Å; H216-T303 HydrophobicContact CB-CG2 4.41Å; H216-L304 PolarHBondContact N-O 2.84Å; H216-E305 HydrophobicContact CB-CG 4.31Å; H216-E305 WeakPolarHBondContact CB-OE1 3.42Å; H216-E305 VanDerWaalsContact CB-OE2 3.32Å; H216-E305 WeakPolarHBondContact CB-OE2 3.41Å; H216-E305 IonicContact CG-OE1 3.47Å; H216-L306 PolarHBondContact O-N 2.77Å; H216-L306 VanDerWaalsContact O-N 3.07Å
217	G	97.8	Very high	98.6	Very high	2 Å²	2	6.5 Å²	6.5	2%	0.021	4%	0.039	C	C	.	.			trans	-146.5	153.8	171.5	0	0	0	0	0	111.8	E89 E305 K310	E89-G217 VanDerWaalsContact CG-O 3.29Å; E89-G217 WeakPolarHBondContact CG-O 3.44Å; E89-G217 PolarHBondContact OE2-N 3.03Å; G217-E305 VanDerWaalsContact CA-OE2 3.28Å; G217-E305 WeakPolarHBondContact CA-OE2 3.29Å; G217-E305 PolarHBondContact N-OE2 2.96Å; G217-E305 VanDerWaalsContact N-OE2 3.13Å; G217-K310 WeakPolarHBondContact O-CE 3.38Å
218	G	96.4	Very high	98.5	Very high	20 Å²	20	5.8 Å²	5.8	21%	0.206	3%	0.034	C	C	.	.	S	Bend	trans	131	-19.6	-174.8	0	0	0	0	0	112.6	S307	G218-S307 PolarHBondContact N-O 3.13Å
219	A	98.1	Very high	98.1	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.029	C	C	.	.	S	Bend	trans	-142.7	-176.1	171.6	0	0	0	0	0	110.1	V221 W282 E305 L306 S307	A219-V221 HydrophobicContact CB-CG1 4.23Å; A219-W282 HydrophobicContact CB-CH2 3.7Å; A219-W282 HydrophobicContact CB-CZ2 3.94Å; A219-E305 HydrophobicContact CB-CB 3.95Å; A219-E305 HydrophobicContact CB-CG 4.18Å; A219-E305 CarbonylContact O-C 3.6Å; A219-L306 PolarHBondContact O-N 3.49Å; A219-S307 CarbonylContact O-C 3.54Å; A219-S307 VanDerWaalsContact O-C 3.25Å; A219-S307 PolarHBondContact O-N 3.05Å; A219-S307 VanDerWaalsContact O-N 3.12Å
220	V	98.8	Very high	97.4	Very high	3 Å²	3	8.3 Å²	8.3	2%	0.018	5%	0.048	C	C	.	.			trans	-131.8	92.6	168.4	-176	0	0	0	0	108.7	M262 N267 E305	V220-M262 HydrophobicContact CG1-CB 3.91Å; V220-M262 HydrophobicContact CG1-CE 4Å; V220-M262 HydrophobicContact CG1-CG 4.02Å; V220-N267 HydrophobicContact CB-CB 3.64Å; V220-N267 HydrophobicContact CG1-CB 4.46Å; V220-N267 HydrophobicContact CG2-CB 4.01Å; V220-E305 VanDerWaalsContact CA-O 3.28Å; V220-E305 WeakPolarHBondContact CA-O 3.24Å
221	V	98.9	Very high	96.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	145.7	-175.2	63.1	0	0	0	0	111	A219 M262 F272 G275 T277 W282 E305	A219-V221 HydrophobicContact CB-CG1 4.23Å; V221-M262 VanDerWaalsContact C-SD 3.58Å; V221-F272 HydrophobicContact CB-CB 4.49Å; V221-F272 HydrophobicContact CB-CD2 3.62Å; V221-F272 HydrophobicContact CB-CE2 3.94Å; V221-F272 HydrophobicContact CB-CG 4.03Å; V221-F272 HydrophobicContact CG1-CD2 4.15Å; V221-F272 HydrophobicContact CG1-CE2 3.93Å; V221-F272 HydrophobicContact CG1-CZ 4.29Å; V221-F272 HydrophobicContact CG2-CB 3.79Å; V221-F272 HydrophobicContact CG2-CD1 3.99Å; V221-F272 HydrophobicContact CG2-CD2 3.72Å; V221-F272 HydrophobicContact CG2-CE2 4.26Å; V221-F272 HydrophobicContact CG2-CG 3.55Å; V221-G275 WeakPolarHBondContact CA-O 3.45Å; V221-G275 WeakPolarHBondContact CG2-O 3.4Å; V221-T277 HydrophobicContact CG1-CG2 4.27Å; V221-T277 HydrophobicContact CG2-CG2 3.67Å; V221-W282 HydrophobicContact CG1-CE3 4.47Å; V221-W282 HydrophobicContact CG1-CH2 4.38Å; V221-W282 HydrophobicContact CG1-CZ3 4.08Å; V221-E305 HydrophobicContact CG1-CB 3.95Å; V221-E305 HydrophobicContact CG1-CG 4.05Å; V221-E305 PolarHBondContact N-O 3.4Å; V221-E305 VanDerWaalsContact N-O 3.08Å; V221-E305 WeakPolarHBondContact O-CB 3.27Å; V221-E305 PolarHBondContact O-N 3.3Å
222	A	98.9	Very high	94.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	103.7	167.1	0	0	0	0	0	109.9	A252 M262 G275 I276 T277 L304	A222-A252 HydrophobicContact CB-CB 3.81Å; A222-M262 HydrophobicContact CB-SD 3.96Å; A222-M262 PolarHBondContact N-SD 3.32Å; A222-M262 VanDerWaalsContact N-SD 3.38Å; A222-G275 PolarHBondContact N-O 3.04Å; A222-I276 HydrophobicContact CB-CG2 4.27Å; A222-I276 CarbonylContact O-C 3.25Å; A222-I276 VanDerWaalsContact O-CA 3.27Å; A222-I276 WeakPolarHBondContact O-CA 3.35Å; A222-T277 PolarHBondContact O-N 3.14Å; A222-L304 HydrophobicContact CB-CD2 3.85Å
223	N	98.9	Very high	92.3	Very high	7 Å²	7	29 Å²	29	4%	0.037	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.7	178.9	177.7	98.2	0	0	0	110.6	D227 T277 G279 Q290 I302 T303	N223-D227 PolarHBondContact ND2-OD1 2.8Å; N223-T277 CarbonylContact C-O 3.56Å; N223-T277 VanDerWaalsContact CA-O 3.28Å; N223-T277 WeakPolarHBondContact CA-O 3.44Å; N223-T277 HydrophobicContact CB-CG2 4.11Å; N223-G279 WeakPolarHBondContact OD1-CA 3.28Å; N223-Q290 PolarHBondContact ND2-NE2 2.79Å; N223-Q290 PolarHBondContact ND2-OE1 2.79Å; N223-Q290 PolarHBondContact O-OE1 3.29Å; N223-Q290 VanDerWaalsContact O-OE1 3.12Å; N223-I302 WeakPolarHBondContact O-CB 3.4Å; N223-T303 WeakPolarHBondContact CA-O 3.46Å; N223-T303 HydrophobicContact CB-CG2 4.42Å; N223-T303 WeakPolarHBondContact CB-O 3.36Å; N223-T303 PolarHBondContact N-O 2.87Å; N223-T303 PolarHBondContact O-N 2.85Å
224	Y	98.9	Very high	90.1	Very high	18 Å²	18	34.9 Å²	34.9	7%	0.071	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	159.2	-179.7	59	-92.9	0	0	0	113.1	F248 Q249 A252 I276 T277 N278 G279	Y224-F248 HydrophobicContact CD2-CB 4.01Å; Y224-F248 HydrophobicContact CG-CB 4.23Å; Y224-Q249 HydrophobicContact CE1-CG 4.22Å; Y224-Q249 HydrophobicContact CE2-CG 3.95Å; Y224-A252 HydrophobicContact CD1-CB 3.8Å; Y224-I276 HydrophobicContact CD1-CB 4.47Å; Y224-I276 HydrophobicContact CE1-CB 4.06Å; Y224-I276 HydrophobicContact CE1-CD1 3.9Å; Y224-I276 HydrophobicContact CE1-CG1 4.04Å; Y224-T277 WeakPolarHBondContact CD1-O 3.46Å; Y224-T277 VanDerWaalsContact CE1-O 3.25Å; Y224-T277 WeakPolarHBondContact CE1-O 3.49Å; Y224-T277 PolarHBondContact N-O 3.37Å; Y224-N278 HydrophobicContact CD2-CB 4.4Å; Y224-N278 HydrophobicContact CE2-CB 3.74Å; Y224-G279 PolarHBondContact O-N 3.37Å
225	P	98.8	Very high	87.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-56	156.7	-179.5	-32.3	38.6	0	0	0	115.9	T242 F248 N278 Q290	P225-T242 HydrophobicContact CB-CG2 3.42Å; P225-T242 VanDerWaalsContact CB-CG2 3.42Å; P225-F248 HydrophobicContact CB-CE2 4.45Å; P225-F248 HydrophobicContact CB-CZ 4.44Å; P225-F248 HydrophobicContact CG-CD1 4.29Å; P225-F248 HydrophobicContact CG-CE1 3.84Å; P225-F248 HydrophobicContact CG-CE2 4.32Å; P225-F248 HydrophobicContact CG-CZ 3.84Å; P225-N278 VanDerWaalsContact C-ND2 3.3Å; P225-N278 PolarHBondContact O-ND2 3.3Å; P225-Q290 HydrophobicContact CG-CG 3.85Å
226	Y	98.4	Very high	85.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.248	C	C	.	.			cis	-81.5	145.5	-11.3	-68.9	-65.2	0	0	0	112.3	F170 Y171 S240 T242 N278 A280 D291 Y294 L295	F170-Y226 HydrophobicContact CD1-CE2 4.06Å; F170-Y226 AromaticContact CD1-CZ 3.8Å; F170-Y226 WeakPolarHBondContact CD1-OH 3.26Å; F170-Y226 AromaticContact CE1-CE2 3.95Å; F170-Y226 HydrophobicContact CE1-CE2 3.95Å; F170-Y226 AromaticContact CE1-CZ 3.84Å; F170-Y226 WeakPolarHBondContact CE1-OH 3.48Å; F170-Y226 WeakPolarHBondContact CZ-OH 3.42Å; Y171-Y226 AromaticContact CE1-CD2 3.77Å; Y171-Y226 HydrophobicContact CE1-CD2 3.77Å; Y171-Y226 AromaticContact CE1-CE2 3.93Å; Y171-Y226 HydrophobicContact CE1-CE2 3.93Å; Y171-Y226 HydrophobicContact CE1-CG 4.26Å; Y171-Y226 VanDerWaalsContact OH-CB 3.3Å; Y171-Y226 WeakPolarHBondContact OH-CB 3.41Å; Y226-S240 WeakPolarHBondContact CB-O 3.36Å; Y226-S240 PolarHBondContact N-O 2.97Å; Y226-T242 HydrophobicContact CD1-CG2 4.08Å; Y226-T242 HydrophobicContact CD2-CG2 3.73Å; Y226-T242 HydrophobicContact CE1-CG2 3.97Å; Y226-T242 HydrophobicContact CE2-CG2 3.64Å; Y226-T242 HydrophobicContact CG-CG2 3.97Å; Y226-N278 PolarHBondContact N-ND2 3.04Å; Y226-N278 VanDerWaalsContact N-ND2 3.16Å; Y226-N278 PolarHBondContact O-ND2 3.17Å; Y226-A280 WeakPolarHBondContact O-CB 3.44Å; Y226-A280 PolarHBondContact O-N 3.21Å; Y226-D291 HydrophobicContact CD1-CB 4.31Å; Y226-Y294 AromaticContact CE1-CD1 3.81Å; Y226-Y294 HydrophobicContact CE1-CD1 3.81Å; Y226-Y294 HydrophobicContact CE1-CE1 4.19Å; Y226-Y294 AromaticContact CZ-CE1 3.94Å; Y226-Y294 WeakPolarHBondContact OH-CE1 3.28Å; Y226-L295 HydrophobicContact CE1-CD1 4.07Å; Y226-L295 HydrophobicContact CE1-CD2 3.84Å; Y226-L295 HydrophobicContact CE1-CG 4.02Å; Y226-L295 WeakPolarHBondContact OH-CD2 3.45Å
227	D	98	Very high	84.8	Confident	5 Å²	5	56.3 Å²	56.3	3%	0.027	27%	0.272	C	S	.	.			trans	-74.6	-34.3	170.7	-81.2	-17	0	0	0	112.2	N223 A280 S284 L285 Q290 D291	N223-D227 PolarHBondContact ND2-OD1 2.8Å; D227-A280 WeakPolarHBondContact O-CA 3.28Å; D227-A280 PolarHBondContact O-N 3.01Å; D227-S284 WeakPolarHBondContact O-CA 3.46Å; D227-L285 CarbonylContact C-O 3.55Å; D227-L285 VanDerWaalsContact C-O 3.25Å; D227-L285 HydrophobicContact CB-CB 4.08Å; D227-L285 HydrophobicContact CB-CD2 4.03Å; D227-L285 PolarHBondContact O-N 2.74Å; D227-Q290 PolarHBondContact OD1-NE2 2.95Å; D227-Q290 PolarHBondContact OD2-NE2 3.47Å; D227-D291 VanDerWaalsContact N-CG 3.33Å; D227-D291 PolarHBondContact N-OD1 3.5Å; D227-D291 PolarHBondContact N-OD2 3.12Å
228	K	95.8	Very high	84.3	Confident	24 Å²	24	57.4 Å²	57.4	10%	0.104	28%	0.28	C	S	.	.	S	Bend	trans	-86.7	130.6	-178.8	-166.7	-176.6	178.4	174	0	111.2	D165 N167 T168 Y171 L285 D291	D165-K228 IonicContact OD1-NZ 3.79Å; D165-K228 PolarHBondContact OD1-NZ 2.91Å; D165-K228 IonicContact OD2-NZ 2.73Å; D165-K228 PolarHBondContact OD2-NZ 3.33Å; N167-K228 HydrophobicContact CB-CB 4.12Å; N167-K228 HydrophobicContact CB-CD 3.59Å; N167-K228 HydrophobicContact CB-CG 4.49Å; T168-K228 PolarHBondContact OG1-NZ 2.78Å; Y171-K228 HydrophobicContact CE2-CD 4.44Å; Y171-K228 PolarHBondContact OH-O 2.85Å; K228-L285 WeakPolarHBondContact CA-O 3.39Å; K228-L285 VanDerWaalsContact CB-O 3.28Å; K228-L285 WeakPolarHBondContact CB-O 3.12Å; K228-L285 PolarHBondContact N-O 3.39Å; K228-L285 VanDerWaalsContact N-O 3.12Å; K228-D291 PolarHBondContact N-OD2 3.08Å
229	S	91.9	Very high	84.1	Confident	7 Å²	7	60.6 Å²	60.6	5%	0.049	29%	0.292	C	S	.	.			trans	-71.4	137.1	170.5	174.3	0	0	0	0	112.2	F231 S238 S240 S284	S229-F231 PolarHBondContact O-N 3.23Å; S229-F231 PolarHBondContact OG-N 3.24Å; S229-F231 PolarHBondContact OG-O 3.22Å; S229-F231 VanDerWaalsContact OG-O 3.11Å; S229-S238 PolarHBondContact OG-OG 3.29Å; S229-S240 WeakPolarHBondContact CA-OG 3.26Å; S229-S284 PolarHBondContact N-OG 3.4Å
230	L	83.6	Confident	84	Confident	77 Å²	77	60.6 Å²	60.6	40%	0.403	29%	0.292	S	S	.	.	S	Bend	trans	-58	-33.1	167.1	-84.9	153.4	0	0	0	112.8	Y171 S240	Y171-L230 HydrophobicContact CD1-CD2 3.55Å; Y171-L230 HydrophobicContact CD1-CG 4.04Å; Y171-L230 HydrophobicContact CD2-CD2 3.59Å; Y171-L230 HydrophobicContact CD2-CG 4.04Å; Y171-L230 HydrophobicContact CE1-CD2 4.12Å; Y171-L230 HydrophobicContact CE1-CG 4.09Å; Y171-L230 HydrophobicContact CE2-CD2 4.13Å; Y171-L230 HydrophobicContact CE2-CG 4.06Å; Y171-L230 HydrophobicContact CG-CD2 3.3Å; Y171-L230 HydrophobicContact CG-CG 4.07Å; L230-S240 PolarHBondContact N-OG 3.11Å
231	F	74	Confident	83.9	Confident	148 Å²	148	63 Å²	63	65%	0.649	31%	0.308	S	S	*	.	S	Bend	trans	-102.9	119.9	-176.4	-61.4	-75.9	0	0	0	110.8	S229 S233	S229-F231 PolarHBondContact O-N 3.23Å; S229-F231 PolarHBondContact OG-N 3.24Å; S229-F231 PolarHBondContact OG-O 3.22Å; S229-F231 VanDerWaalsContact OG-O 3.11Å; F231-S233 VanDerWaalsContact C-N 3.26Å; F231-S233 PolarHBondContact O-N 3.19Å
232	R	59.1	Low	83.9	Confident	245 Å²	245	63.4 Å²	63.4	93%	0.925	31%	0.31	S	S	*	.			trans	-76	79.1	171.7	-65	-176.8	91.6	136.2	3.5	109.8
233	S	57	Low	83.9	Confident	49 Å²	49	64.9 Å²	64.9	34%	0.343	32%	0.32	S	S	.	.			trans	-119.5	119.4	165.4	-175.7	0	0	0	0	109.4	F231 H235 R236	F231-S233 VanDerWaalsContact C-N 3.26Å; F231-S233 PolarHBondContact O-N 3.19Å; S233-H235 PolarHBondContact O-N 3.08Å; S233-R236 PolarHBondContact O-N 3.43Å
234	P	53.1	Low	83.9	Confident	124 Å²	124	64.9 Å²	64.9	81%	0.805	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-7.1	179	25.9	-32	0	0	0	113.2
235	H	50.9	Low	83.9	Confident	172 Å²	172	65.3 Å²	65.3	80%	0.796	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.2	4.9	-173.1	-60.3	7.3	0	0	0	113.2	S233	S233-H235 PolarHBondContact O-N 3.08Å
236	R	58.5	Low	83.9	Confident	196 Å²	196	72.1 Å²	72.1	74%	0.74	36%	0.355	S	S	*	.			trans	-130.7	112.5	177.2	-65	-172	-176.7	-172.6	0.3	109.2	S233	S233-R236 PolarHBondContact O-N 3.43Å
237	T	76.1	Confident	83.9	Confident	85 Å²	85	72.4 Å²	72.4	52%	0.521	36%	0.357	S	S	.	.			trans	-71.7	144.4	162.1	61.3	0	0	0	0	107.8	S281 W282	T237-S281 WeakPolarHBondContact CB-O 3.27Å; T237-S281 PolarHBondContact OG1-O 3.12Å; T237-W282 VanDerWaalsContact CG2-O 3.31Å; T237-W282 WeakPolarHBondContact CG2-O 3.22Å
238	S	86.3	Confident	83.9	Confident	26 Å²	26	72.2 Å²	72.2	18%	0.182	36%	0.355	C	S	.	.			trans	-148.8	131.7	-178.9	68.5	0	0	0	0	109.6	S229 S240 A280	S229-S238 PolarHBondContact OG-OG 3.29Å; S238-S240 PolarHBondContact O-N 2.83Å; S238-S240 PolarHBondContact O-OG 3.19Å; S238-A280 PolarHBondContact N-O 2.98Å; S238-A280 CarbonylContact O-C 3.58Å; S238-A280 WeakPolarHBondContact O-CB 3.25Å
239	N	91.7	Very high	84.1	Confident	87 Å²	87	73.9 Å²	73.9	47%	0.465	36%	0.364	S	S	.	.			trans	-52.5	129.6	172.8	-168	25.3	0	0	0	110.5	N278	N239-N278 WeakPolarHBondContact OD1-CB 3.37Å; N239-N278 PolarHBondContact OD1-OD1 2.85Å; N239-N278 VanDerWaalsContact OD1-OD1 3.11Å
240	S	95.6	Very high	84.4	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	38%	0.376	C	S	.	.			trans	-129	78.6	177.4	-58.9	0	0	0	0	108.4	Y226 S229 L230 S238 N278 A280	Y226-S240 WeakPolarHBondContact CB-O 3.36Å; Y226-S240 PolarHBondContact N-O 2.97Å; S229-S240 WeakPolarHBondContact CA-OG 3.26Å; L230-S240 PolarHBondContact N-OG 3.11Å; S238-S240 PolarHBondContact O-N 2.83Å; S238-S240 PolarHBondContact O-OG 3.19Å; S240-N278 PolarHBondContact N-OD1 3.42Å; S240-N278 VanDerWaalsContact N-OD1 3.07Å; S240-N278 PolarHBondContact O-ND2 2.71Å; S240-N278 VanDerWaalsContact O-ND2 3.11Å; S240-A280 WeakPolarHBondContact OG-CB 3.09Å
241	P	97.4	Very high	85.1	Confident	53 Å²	53	72.2 Å²	72.2	34%	0.344	36%	0.357	S	S	.	.			trans	-68.3	155.6	-174.5	29.4	-35.7	0	0	0	111.5	D245	P241-D245 HydrophobicContact CB-CB 3.85Å; P241-D245 WeakPolarHBondContact CB-OD1 3.45Å
242	T	98.6	Very high	86.3	Confident	9 Å²	9	65.2 Å²	65.2	6%	0.055	33%	0.326	C	S	.	.			trans	-89.2	168.2	169.6	65.3	0	0	0	0	111.5	P225 Y226 D244 D245 F248 Y294	P225-T242 HydrophobicContact CB-CG2 3.42Å; P225-T242 VanDerWaalsContact CB-CG2 3.42Å; Y226-T242 HydrophobicContact CD1-CG2 4.08Å; Y226-T242 HydrophobicContact CD2-CG2 3.73Å; Y226-T242 HydrophobicContact CE1-CG2 3.97Å; Y226-T242 HydrophobicContact CE2-CG2 3.64Å; Y226-T242 HydrophobicContact CG-CG2 3.97Å; T242-D244 PolarHBondContact O-N 3.09Å; T242-D244 VanDerWaalsContact OG1-C 3.3Å; T242-D244 PolarHBondContact OG1-N 3.32Å; T242-D245 VanDerWaalsContact O-CB 3.3Å; T242-D245 WeakPolarHBondContact O-CB 3.5Å; T242-D245 PolarHBondContact O-N 3.28Å; T242-D245 PolarHBondContact OG1-N 3Å; T242-D245 VanDerWaalsContact OG1-N 3.15Å; T242-F248 HydrophobicContact CG2-CD2 4.24Å; T242-F248 HydrophobicContact CG2-CE2 4.13Å; T242-F248 VanDerWaalsContact OG1-CD2 3.29Å; T242-F248 WeakPolarHBondContact OG1-CD2 3.28Å; T242-Y294 HydrophobicContact CG2-CD1 4.3Å; T242-Y294 HydrophobicContact CG2-CE1 3.91Å
243	P	98.7	Very high	88.2	Confident	31 Å²	31	56.6 Å²	56.6	20%	0.201	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-25.1	165.7	-25.7	34.9	0	0	0	114.1	F170 I361 N362 H363	F170-P243 HydrophobicContact CE1-CG 4.32Å; F170-P243 HydrophobicContact CZ-CG 3.75Å; P243-I361 HydrophobicContact CB-CG2 4.08Å; P243-N362 HydrophobicContact CB-CB 4.39Å; P243-N362 HydrophobicContact CG-CB 4.32Å; P243-N362 VanDerWaalsContact CG-O 3.28Å; P243-N362 WeakPolarHBondContact CG-O 3.45Å; P243-H363 HydrophobicContact CB-CB 4.06Å; P243-H363 HydrophobicContact CG-CB 4.19Å
244	D	98.8	Very high	90.2	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.037	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	26.9	178.5	-69	-79.3	0	0	0	112.4	T242 Q246 L247 F248 Y294 F300 I361 H363 R375	T242-D244 PolarHBondContact O-N 3.09Å; T242-D244 VanDerWaalsContact OG1-C 3.3Å; T242-D244 PolarHBondContact OG1-N 3.32Å; D244-Q246 PolarHBondContact O-N 3.1Å; D244-L247 HydrophobicContact CB-CB 4.39Å; D244-L247 HydrophobicContact CB-CD2 4.41Å; D244-L247 WeakPolarHBondContact O-CA 3.45Å; D244-L247 WeakPolarHBondContact O-CB 3.43Å; D244-L247 PolarHBondContact O-N 3.08Å; D244-F248 HydrophobicContact CB-CD2 4.08Å; D244-F248 HydrophobicContact CB-CE2 4.15Å; D244-F248 WeakPolarHBondContact O-CD2 3.07Å; D244-F248 PolarHBondContact O-N 3.31Å; D244-Y294 HydrophobicContact CB-CE2 4.47Å; D244-Y294 PolarHBondContact OD2-OH 2.86Å; D244-F300 HydrophobicContact CB-CE1 3.79Å; D244-I361 WeakPolarHBondContact OD1-CG2 3.35Å; D244-H363 IonicContact OD2-CD2 2.66Å; D244-H363 PolarHBondContact OD2-CD2 2.97Å; D244-H363 IonicContact OD2-CG 2.99Å; D244-R375 IonicContact OD1-CZ 3.47Å; D244-R375 IonicContact OD1-NH2 3.79Å; D244-R375 PolarHBondContact OD1-NH2 3.16Å; D244-R375 IonicContact OD2-CZ 3.8Å; D244-R375 IonicContact OD2-NH2 3.95Å; D244-R375 PolarHBondContact OD2-NH2 3.34Å
245	D	98.8	Very high	92.4	Very high	27 Å²	27	49.6 Å²	49.6	14%	0.144	25%	0.248	C	C	.	.	H	α-helix	trans	-55.1	-43.9	-171	-176.3	71	0	0	0	113.9	P241 T242 L247 F248 Q249	P241-D245 HydrophobicContact CB-CB 3.85Å; P241-D245 WeakPolarHBondContact CB-OD1 3.45Å; T242-D245 VanDerWaalsContact O-CB 3.3Å; T242-D245 WeakPolarHBondContact O-CB 3.5Å; T242-D245 PolarHBondContact O-N 3.28Å; T242-D245 PolarHBondContact OG1-N 3Å; T242-D245 VanDerWaalsContact OG1-N 3.15Å; D245-L247 VanDerWaalsContact C-N 3.31Å; D245-L247 PolarHBondContact O-N 2.9Å; D245-F248 PolarHBondContact O-N 3.13Å; D245-Q249 WeakPolarHBondContact O-CB 3.49Å; D245-Q249 WeakPolarHBondContact O-CG 3.38Å; D245-Q249 PolarHBondContact O-N 3.12Å; D245-Q249 PolarHBondContact OD2-NE2 2.83Å
246	Q	98.7	Very high	94.7	Very high	143 Å²	143	41.4 Å²	41.4	67%	0.668	21%	0.21	S	C	*	.	H	α-helix	trans	-63.8	-37.2	178.1	-66.3	-177.4	4.7	0	0	112.4	D244 T250 L378	D244-Q246 PolarHBondContact O-N 3.1Å; Q246-T250 WeakPolarHBondContact O-CB 3.16Å; Q246-T250 PolarHBondContact O-N 2.95Å; Q246-T250 VanDerWaalsContact O-N 3.09Å; Q246-T250 PolarHBondContact O-OG1 3.26Å; Q246-L378 HydrophobicContact CB-CD1 3.81Å
247	L	98.8	Very high	96.6	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-65.2	-49	174.6	171.6	67.6	0	0	0	110.1	D244 D245 Q249 T250 L251 F300 L376 L378	D244-L247 HydrophobicContact CB-CB 4.39Å; D244-L247 HydrophobicContact CB-CD2 4.41Å; D244-L247 WeakPolarHBondContact O-CA 3.45Å; D244-L247 WeakPolarHBondContact O-CB 3.43Å; D244-L247 PolarHBondContact O-N 3.08Å; D245-L247 VanDerWaalsContact C-N 3.31Å; D245-L247 PolarHBondContact O-N 2.9Å; L247-Q249 PolarHBondContact O-N 3.25Å; L247-T250 WeakPolarHBondContact O-CA 3.03Å; L247-T250 WeakPolarHBondContact O-CB 3.27Å; L247-T250 PolarHBondContact O-N 2.84Å; L247-L251 HydrophobicContact CD1-CD1 4.24Å; L247-L251 HydrophobicContact CD1-CG 4.16Å; L247-L251 HydrophobicContact CG-CD1 4Å; L247-L251 HydrophobicContact CG-CG 4.34Å; L247-L251 WeakPolarHBondContact O-CG 3.43Å; L247-L251 PolarHBondContact O-N 3.41Å; L247-F300 HydrophobicContact CD2-CD1 3.87Å; L247-F300 HydrophobicContact CD2-CE1 3.66Å; L247-F300 HydrophobicContact CD2-CZ 4.49Å; L247-L376 HydrophobicContact CD1-CB 4.28Å; L247-L376 HydrophobicContact CD2-CB 3.62Å; L247-L378 HydrophobicContact CB-CG 4.49Å; L247-L378 HydrophobicContact CD1-CD2 4.07Å; L247-L378 HydrophobicContact CD1-CG 4.48Å
248	F	98.9	Very high	97.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-42.2	178.2	-85.4	-65.9	0	0	0	113.2	Y224 P225 T242 D244 D245 T250 L251 A252 Y294 F300 I302	Y224-F248 HydrophobicContact CD2-CB 4.01Å; Y224-F248 HydrophobicContact CG-CB 4.23Å; P225-F248 HydrophobicContact CB-CE2 4.45Å; P225-F248 HydrophobicContact CB-CZ 4.44Å; P225-F248 HydrophobicContact CG-CD1 4.29Å; P225-F248 HydrophobicContact CG-CE1 3.84Å; P225-F248 HydrophobicContact CG-CE2 4.32Å; P225-F248 HydrophobicContact CG-CZ 3.84Å; T242-F248 HydrophobicContact CG2-CD2 4.24Å; T242-F248 HydrophobicContact CG2-CE2 4.13Å; T242-F248 VanDerWaalsContact OG1-CD2 3.29Å; T242-F248 WeakPolarHBondContact OG1-CD2 3.28Å; D244-F248 HydrophobicContact CB-CD2 4.08Å; D244-F248 HydrophobicContact CB-CE2 4.15Å; D244-F248 WeakPolarHBondContact O-CD2 3.07Å; D244-F248 PolarHBondContact O-N 3.31Å; D245-F248 PolarHBondContact O-N 3.13Å; F248-T250 PolarHBondContact O-N 2.77Å; F248-L251 HydrophobicContact CD1-CD1 4.42Å; F248-L251 PolarHBondContact O-N 2.9Å; F248-A252 VanDerWaalsContact O-CB 3.32Å; F248-A252 WeakPolarHBondContact O-CB 3.47Å; F248-A252 PolarHBondContact O-N 3.35Å; F248-Y294 AromaticContact CE2-CD2 3.87Å; F248-Y294 HydrophobicContact CE2-CD2 3.87Å; F248-Y294 AromaticContact CE2-CE2 3.69Å; F248-Y294 HydrophobicContact CE2-CE2 3.69Å; F248-Y294 HydrophobicContact CE2-CG 4.36Å; F248-Y294 AromaticContact CZ-CD2 3.74Å; F248-Y294 HydrophobicContact CZ-CD2 3.74Å; F248-Y294 HydrophobicContact CZ-CE2 4.02Å; F248-Y294 HydrophobicContact CZ-CG 4.21Å; F248-F300 HydrophobicContact CE1-CB 4.05Å; F248-F300 HydrophobicContact CE1-CD1 4.07Å; F248-F300 AromaticContact CE2-CD1 3.74Å; F248-F300 HydrophobicContact CE2-CD1 3.74Å; F248-F300 HydrophobicContact CE2-CE1 4.15Å; F248-F300 HydrophobicContact CZ-CB 4.05Å; F248-F300 AromaticContact CZ-CD1 3.48Å; F248-F300 HydrophobicContact CZ-CD1 3.48Å; F248-F300 VanDerWaalsContact CZ-CD1 3.48Å; F248-F300 HydrophobicContact CZ-CE1 4.3Å; F248-F300 HydrophobicContact CZ-CG 4.1Å; F248-I302 HydrophobicContact CD1-CG2 3.79Å; F248-I302 HydrophobicContact CE1-CG2 4.17Å
249	Q	98.9	Very high	98.3	Very high	60 Å²	60	33.6 Å²	33.6	28%	0.28	17%	0.173	S	C	.	.	H	α-helix	trans	-57.9	-39.8	172.3	-74.8	-172.8	57.4	0	0	111.5	Y224 D245 L247 K253 I276	Y224-Q249 HydrophobicContact CE1-CG 4.22Å; Y224-Q249 HydrophobicContact CE2-CG 3.95Å; D245-Q249 WeakPolarHBondContact O-CB 3.49Å; D245-Q249 WeakPolarHBondContact O-CG 3.38Å; D245-Q249 PolarHBondContact O-N 3.12Å; D245-Q249 PolarHBondContact OD2-NE2 2.83Å; L247-Q249 PolarHBondContact O-N 3.25Å; Q249-K253 WeakPolarHBondContact O-CB 3.25Å; Q249-K253 VanDerWaalsContact O-CG 3.22Å; Q249-K253 WeakPolarHBondContact O-CG 3.13Å; Q249-K253 PolarHBondContact O-N 2.92Å; Q249-I276 HydrophobicContact CB-CD1 4.33Å; Q249-I276 HydrophobicContact CG-CD1 4.35Å
250	T	98.8	Very high	98.6	Very high	49 Å²	49	31.5 Å²	31.5	30%	0.301	17%	0.171	S	C	.	.	H	α-helix	trans	-68.9	-47.2	179.2	-57.6	0	0	0	0	111.1	Q246 L247 F248 A252 K253 V254 L378	Q246-T250 WeakPolarHBondContact O-CB 3.16Å; Q246-T250 PolarHBondContact O-N 2.95Å; Q246-T250 VanDerWaalsContact O-N 3.09Å; Q246-T250 PolarHBondContact O-OG1 3.26Å; L247-T250 WeakPolarHBondContact O-CA 3.03Å; L247-T250 WeakPolarHBondContact O-CB 3.27Å; L247-T250 PolarHBondContact O-N 2.84Å; F248-T250 PolarHBondContact O-N 2.77Å; T250-A252 VanDerWaalsContact C-N 3.33Å; T250-A252 PolarHBondContact O-N 2.86Å; T250-K253 PolarHBondContact O-N 2.83Å; T250-K253 VanDerWaalsContact O-N 3.16Å; T250-V254 WeakPolarHBondContact O-CG2 3.29Å; T250-V254 PolarHBondContact O-N 2.98Å; T250-L378 HydrophobicContact CG2-CD2 3.81Å
251	L	98.9	Very high	98.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.4	-44.6	175.5	-68	173.1	0	0	0	111.7	L211 L247 F248 V254 Y255 F331 Q334	L211-L251 HydrophobicContact CD1-CD1 3.9Å; L211-L251 HydrophobicContact CD1-CD2 4.13Å; L247-L251 HydrophobicContact CD1-CD1 4.24Å; L247-L251 HydrophobicContact CD1-CG 4.16Å; L247-L251 HydrophobicContact CG-CD1 4Å; L247-L251 HydrophobicContact CG-CG 4.34Å; L247-L251 WeakPolarHBondContact O-CG 3.43Å; L247-L251 PolarHBondContact O-N 3.41Å; F248-L251 HydrophobicContact CD1-CD1 4.42Å; F248-L251 PolarHBondContact O-N 2.9Å; L251-V254 PolarHBondContact O-N 3.45Å; L251-Y255 PolarHBondContact O-N 3.42Å; L251-F331 HydrophobicContact CB-CE2 4.36Å; L251-Q334 HydrophobicContact CD2-CB 3.54Å; L251-Q334 HydrophobicContact CD2-CG 3.95Å
252	A	98.9	Very high	98.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-41.9	176.1	0	0	0	0	0	112	A222 Y224 F248 T250 Y255 S256 I276	A222-A252 HydrophobicContact CB-CB 3.81Å; Y224-A252 HydrophobicContact CD1-CB 3.8Å; F248-A252 VanDerWaalsContact O-CB 3.32Å; F248-A252 WeakPolarHBondContact O-CB 3.47Å; F248-A252 PolarHBondContact O-N 3.35Å; T250-A252 VanDerWaalsContact C-N 3.33Å; T250-A252 PolarHBondContact O-N 2.86Å; A252-Y255 PolarHBondContact O-N 3.35Å; A252-S256 WeakPolarHBondContact O-CB 3.33Å; A252-S256 PolarHBondContact O-N 3.2Å; A252-I276 HydrophobicContact CB-CB 4.08Å; A252-I276 HydrophobicContact CB-CG2 3.71Å
253	K	98.9	Very high	98.8	Very high	64 Å²	64	33.6 Å²	33.6	28%	0.278	17%	0.174	S	C	.	.	H	α-helix	trans	-64.1	-39.9	176.8	-77.3	-179.5	178.2	-160.3	0	112.2	Q249 T250 Y255 S256 Y257 D274 I276	Q249-K253 WeakPolarHBondContact O-CB 3.25Å; Q249-K253 VanDerWaalsContact O-CG 3.22Å; Q249-K253 WeakPolarHBondContact O-CG 3.13Å; Q249-K253 PolarHBondContact O-N 2.92Å; T250-K253 PolarHBondContact O-N 2.83Å; T250-K253 VanDerWaalsContact O-N 3.16Å; K253-Y255 VanDerWaalsContact C-N 3.3Å; K253-Y255 PolarHBondContact O-N 2.94Å; K253-S256 PolarHBondContact O-N 3.32Å; K253-Y257 HydrophobicContact CB-CD2 3.99Å; K253-Y257 HydrophobicContact CB-CE2 4.18Å; K253-Y257 HydrophobicContact CD-CE2 4.29Å; K253-Y257 HydrophobicContact CG-CD2 4.31Å; K253-Y257 HydrophobicContact CG-CE2 4.03Å; K253-Y257 WeakPolarHBondContact O-CB 3.44Å; K253-Y257 VanDerWaalsContact O-CD2 3.31Å; K253-Y257 WeakPolarHBondContact O-CD2 3.23Å; K253-Y257 PolarHBondContact O-N 3.48Å; K253-D274 WeakPolarHBondContact CE-OD2 3.41Å; K253-D274 IonicContact NZ-OD2 3.56Å; K253-D274 PolarHBondContact NZ-OD2 3.12Å; K253-I276 HydrophobicContact CD-CD1 4.35Å; K253-I276 HydrophobicContact CG-CD1 3.92Å; K253-I276 HydrophobicContact CG-CG2 3.95Å
254	V	98.9	Very high	98.8	Very high	26 Å²	26	37.8 Å²	37.8	16%	0.158	19%	0.191	C	C	.	.	H	α-helix	trans	-55.1	-49	177.6	168.2	0	0	0	0	110.5	T250 L251 A258 Q330 Q334	T250-V254 WeakPolarHBondContact O-CG2 3.29Å; T250-V254 PolarHBondContact O-N 2.98Å; L251-V254 PolarHBondContact O-N 3.45Å; V254-A258 WeakPolarHBondContact O-CB 3.16Å; V254-A258 PolarHBondContact O-N 3.16Å; V254-Q330 HydrophobicContact CG1-CB 3.88Å; V254-Q334 HydrophobicContact CB-CG 4.14Å; V254-Q334 HydrophobicContact CG1-CG 3.76Å; V254-Q334 HydrophobicContact CG2-CG 4.13Å
255	Y	98.9	Very high	98.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-49.4	176.1	-163.5	-79	0	0	0	111.7	L251 A252 K253 Y257 A258 H259 M262 L304 L306 N324 A327 L328 F331	L251-Y255 PolarHBondContact O-N 3.42Å; A252-Y255 PolarHBondContact O-N 3.35Å; K253-Y255 VanDerWaalsContact C-N 3.3Å; K253-Y255 PolarHBondContact O-N 2.94Å; Y255-Y257 PolarHBondContact O-N 3.21Å; Y255-A258 PolarHBondContact O-N 2.89Å; Y255-H259 HydrophobicContact CD1-CB 4.41Å; Y255-H259 HydrophobicContact CE1-CB 4.39Å; Y255-H259 VanDerWaalsContact O-CB 3.28Å; Y255-H259 WeakPolarHBondContact O-CB 3.44Å; Y255-H259 PolarHBondContact O-N 3.26Å; Y255-M262 HydrophobicContact CD1-CE 4.17Å; Y255-M262 HydrophobicContact CD1-SD 4.14Å; Y255-M262 HydrophobicContact CE1-CE 4.1Å; Y255-L304 HydrophobicContact CD1-CD1 4.29Å; Y255-L304 HydrophobicContact CD1-CD2 3.68Å; Y255-L304 HydrophobicContact CD2-CD1 3.53Å; Y255-L304 HydrophobicContact CD2-CD2 4.04Å; Y255-L304 HydrophobicContact CD2-CG 4.44Å; Y255-L304 HydrophobicContact CE1-CD1 4.16Å; Y255-L304 HydrophobicContact CE1-CD2 4.16Å; Y255-L304 HydrophobicContact CE2-CD1 3.38Å; Y255-L304 HydrophobicContact CE2-CD2 4.49Å; Y255-L304 HydrophobicContact CG-CD1 4Å; Y255-L304 HydrophobicContact CG-CD2 3.61Å; Y255-L304 HydrophobicContact CG-CG 4.45Å; Y255-L306 HydrophobicContact CE1-CD2 3.95Å; Y255-N324 PolarHBondContact OH-OD1 2.88Å; Y255-A327 HydrophobicContact CD1-CB 3.92Å; Y255-A327 HydrophobicContact CD2-CB 3.8Å; Y255-A327 HydrophobicContact CE1-CB 3.84Å; Y255-A327 HydrophobicContact CE2-CB 3.71Å; Y255-A327 HydrophobicContact CG-CB 3.9Å; Y255-A327 WeakPolarHBondContact O-CB 3.39Å; Y255-L328 HydrophobicContact CE2-CD2 3.99Å; Y255-L328 HydrophobicContact CE2-CG 4.2Å; Y255-F331 HydrophobicContact CD2-CB 3.93Å; Y255-F331 HydrophobicContact CD2-CG 4.34Å
256	S	98.9	Very high	98.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-43.4	-174.7	177.2	0	0	0	0	113.9	A252 K253 H259 M262 H263 D274 G275	A252-S256 WeakPolarHBondContact O-CB 3.33Å; A252-S256 PolarHBondContact O-N 3.2Å; K253-S256 PolarHBondContact O-N 3.32Å; S256-H259 WeakPolarHBondContact O-CB 3.18Å; S256-H259 PolarHBondContact O-N 2.67Å; S256-M262 WeakPolarHBondContact OG-CG 3.31Å; S256-H263 WeakPolarHBondContact O-CB 3.26Å; S256-H263 PolarHBondContact O-N 3.48Å; S256-H263 VanDerWaalsContact O-N 3.16Å; S256-H263 PolarHBondContact O-ND1 3.31Å; S256-H263 VanDerWaalsContact OG-CA 3.26Å; S256-H263 WeakPolarHBondContact OG-CA 3.42Å; S256-H263 PolarHBondContact OG-N 3.4Å; S256-H263 VanDerWaalsContact OG-N 3.14Å; S256-D274 WeakPolarHBondContact CB-O 3.28Å; S256-D274 PolarHBondContact OG-O 3.01Å; S256-G275 WeakPolarHBondContact OG-CA 3.25Å; S256-G275 PolarHBondContact OG-O 2.77Å
257	Y	98.9	Very high	98.5	Very high	120 Å²	120	38.6 Å²	38.6	47%	0.471	19%	0.188	S	C	.	.	H	α-helix	trans	-78	-29.9	180	-80.3	-91	0	0	0	113.2	K253 Y255 H259 H263 D274	K253-Y257 HydrophobicContact CB-CD2 3.99Å; K253-Y257 HydrophobicContact CB-CE2 4.18Å; K253-Y257 HydrophobicContact CD-CE2 4.29Å; K253-Y257 HydrophobicContact CG-CD2 4.31Å; K253-Y257 HydrophobicContact CG-CE2 4.03Å; K253-Y257 WeakPolarHBondContact O-CB 3.44Å; K253-Y257 VanDerWaalsContact O-CD2 3.31Å; K253-Y257 WeakPolarHBondContact O-CD2 3.23Å; K253-Y257 PolarHBondContact O-N 3.48Å; Y255-Y257 PolarHBondContact O-N 3.21Å; Y257-H259 VanDerWaalsContact C-N 3.31Å; Y257-H263 HydrophobicContact CD1-CB 3.87Å; Y257-H263 HydrophobicContact CD2-CB 4.33Å; Y257-H263 HydrophobicContact CE1-CB 4.14Å; Y257-H263 HydrophobicContact CG-CB 3.99Å; Y257-D274 HydrophobicContact CE2-CB 3.96Å; Y257-D274 VanDerWaalsContact OH-CG 3.31Å; Y257-D274 PolarHBondContact OH-OD1 2.8Å
258	A	98.9	Very high	98.4	Very high	22 Å²	22	40.9 Å²	40.9	18%	0.182	20%	0.203	C	C	.	.	H	α-helix	trans	-76.1	-22.5	171.4	0	0	0	0	0	112.4	V254 Y255 E326 A327 Q330	V254-A258 WeakPolarHBondContact O-CB 3.16Å; V254-A258 PolarHBondContact O-N 3.16Å; Y255-A258 PolarHBondContact O-N 2.89Å; A258-E326 HydrophobicContact CB-CG 4.41Å; A258-A327 HydrophobicContact CB-CB 3.85Å; A258-Q330 HydrophobicContact CB-CB 4.48Å; A258-Q330 HydrophobicContact CB-CG 4.47Å
259	H	98.9	Very high	98.2	Very high	2 Å²	2	44 Å²	44	1%	0.009	24%	0.235	C	C	.	.	S	Bend	trans	-71.3	142.2	175.4	-174.8	-94.6	0	0	0	111.4	Y255 S256 Y257 W261 M262 H263 G323 N324 A327	Y255-H259 HydrophobicContact CD1-CB 4.41Å; Y255-H259 HydrophobicContact CE1-CB 4.39Å; Y255-H259 VanDerWaalsContact O-CB 3.28Å; Y255-H259 WeakPolarHBondContact O-CB 3.44Å; Y255-H259 PolarHBondContact O-N 3.26Å; S256-H259 WeakPolarHBondContact O-CB 3.18Å; S256-H259 PolarHBondContact O-N 2.67Å; Y257-H259 VanDerWaalsContact C-N 3.31Å; H259-W261 AromaticContact CE1-CD1 3.75Å; H259-W261 AromaticContact CE1-CD2 3.79Å; H259-W261 AromaticContact CE1-CE2 3.49Å; H259-W261 VanDerWaalsContact CE1-CE2 3.49Å; H259-W261 AromaticContact CE1-CG 3.95Å; H259-W261 AromaticContact CE1-CZ2 3.98Å; H259-W261 AromaticContact CE1-NE1 3.46Å; H259-W261 PolarHBondContact CE1-NE1 2.76Å; H259-W261 PolarHBondContact ND1-N 3.26Å; H259-W261 PolarHBondContact O-N 3.24Å; H259-M262 HydrophobicContact CB-CB 3.77Å; H259-M262 VanDerWaalsContact ND1-CB 3.33Å; H259-M262 WeakPolarHBondContact ND1-CB 3.35Å; H259-M262 PolarHBondContact ND1-N 3.31Å; H259-H263 PolarHBondContact O-ND1 3.24Å; H259-G323 WeakPolarHBondContact CA-O 3.48Å; H259-G323 PolarHBondContact CD2-O 3.23Å; H259-N324 VanDerWaalsContact CD2-CG 3.43Å; H259-N324 PolarHBondContact CD2-OD1 2.78Å; H259-N324 PolarHBondContact NE2-ND2 3.45Å; H259-N324 VanDerWaalsContact NE2-ND2 3.11Å; H259-N324 PolarHBondContact NE2-OD1 2.9Å; H259-A327 HydrophobicContact CB-CB 4.24Å
260	G	98.6	Very high	98	Very high	42 Å²	42	43.9 Å²	43.9	43%	0.433	24%	0.237	S	C	.	.	S	Bend	trans	-57.5	-25.3	-172.6	0	0	0	0	0	115.8	G323	G260-G323 PolarHBondContact N-O 3.2Å
261	W	98.6	Very high	98	Very high	39 Å²	39	48.3 Å²	48.3	15%	0.148	25%	0.249	C	C	.	.	S	Bend	trans	-152.8	6.6	-178.3	54	85.5	0	0	0	116.1	H259 Q264 N267 R319 E320	H259-W261 AromaticContact CE1-CD1 3.75Å; H259-W261 AromaticContact CE1-CD2 3.79Å; H259-W261 AromaticContact CE1-CE2 3.49Å; H259-W261 VanDerWaalsContact CE1-CE2 3.49Å; H259-W261 AromaticContact CE1-CG 3.95Å; H259-W261 AromaticContact CE1-CZ2 3.98Å; H259-W261 AromaticContact CE1-NE1 3.46Å; H259-W261 PolarHBondContact CE1-NE1 2.76Å; H259-W261 PolarHBondContact ND1-N 3.26Å; H259-W261 PolarHBondContact O-N 3.24Å; W261-Q264 WeakPolarHBondContact O-CB 3.45Å; W261-Q264 PolarHBondContact O-N 3.21Å; W261-N267 PolarHBondContact O-ND2 3.44Å; W261-R319 HydrophobicContact CH2-CG 4.21Å; W261-R319 HydrophobicContact CZ3-CG 4.46Å; W261-E320 VanDerWaalsContact CZ2-OE2 3.3Å; W261-E320 WeakPolarHBondContact CZ2-OE2 3.48Å
262	M	98.8	Very high	97.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-71.3	-45.5	-174.9	-178.4	177.7	-69.3	0	0	110.8	V220 V221 A222 Y255 S256 H259 Q264 G265 G275 E305 L306	V220-M262 HydrophobicContact CG1-CB 3.91Å; V220-M262 HydrophobicContact CG1-CE 4Å; V220-M262 HydrophobicContact CG1-CG 4.02Å; V221-M262 VanDerWaalsContact C-SD 3.58Å; A222-M262 HydrophobicContact CB-SD 3.96Å; A222-M262 PolarHBondContact N-SD 3.32Å; A222-M262 VanDerWaalsContact N-SD 3.38Å; Y255-M262 HydrophobicContact CD1-CE 4.17Å; Y255-M262 HydrophobicContact CD1-SD 4.14Å; Y255-M262 HydrophobicContact CE1-CE 4.1Å; S256-M262 WeakPolarHBondContact OG-CG 3.31Å; H259-M262 HydrophobicContact CB-CB 3.77Å; H259-M262 VanDerWaalsContact ND1-CB 3.33Å; H259-M262 WeakPolarHBondContact ND1-CB 3.35Å; H259-M262 PolarHBondContact ND1-N 3.31Å; M262-Q264 PolarHBondContact O-N 3.34Å; M262-G265 PolarHBondContact O-N 2.96Å; M262-G275 VanDerWaalsContact O-CA 3.25Å; M262-G275 WeakPolarHBondContact O-CA 3.3Å; M262-E305 VanDerWaalsContact CE-O 3.24Å; M262-E305 WeakPolarHBondContact CE-O 3.38Å; M262-L306 HydrophobicContact CE-CD2 4.4Å
263	H	98.5	Very high	97.9	Very high	67 Å²	67	52.6 Å²	52.6	31%	0.31	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-57.2	-18.7	177.7	64.4	-88.3	0	0	0	115.3	S256 Y257 H259 G265	S256-H263 WeakPolarHBondContact O-CB 3.26Å; S256-H263 PolarHBondContact O-N 3.48Å; S256-H263 VanDerWaalsContact O-N 3.16Å; S256-H263 PolarHBondContact O-ND1 3.31Å; S256-H263 VanDerWaalsContact OG-CA 3.26Å; S256-H263 WeakPolarHBondContact OG-CA 3.42Å; S256-H263 PolarHBondContact OG-N 3.4Å; S256-H263 VanDerWaalsContact OG-N 3.14Å; Y257-H263 HydrophobicContact CD1-CB 3.87Å; Y257-H263 HydrophobicContact CD2-CB 4.33Å; Y257-H263 HydrophobicContact CE1-CB 4.14Å; Y257-H263 HydrophobicContact CG-CB 3.99Å; H259-H263 PolarHBondContact O-ND1 3.24Å; H263-G265 PolarHBondContact O-N 2.94Å
264	Q	98	Very high	97.9	Very high	119 Å²	119	52.3 Å²	52.3	56%	0.556	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-62.7	-23.3	174.6	-60	-177.8	22.1	0	0	111.6	W261 M262 W266	W261-Q264 WeakPolarHBondContact O-CB 3.45Å; W261-Q264 PolarHBondContact O-N 3.21Å; M262-Q264 PolarHBondContact O-N 3.34Å; Q264-W266 PolarHBondContact O-N 3.38Å
265	G	97.5	Very high	97.9	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.01	27%	0.269	C	S	.	.			trans	77	-27.4	174.2	0	0	0	0	0	115.2	M262 H263 Y271 F272	M262-G265 PolarHBondContact O-N 2.96Å; H263-G265 PolarHBondContact O-N 2.94Å; G265-Y271 CarbonylContact O-C 3.58Å; G265-Y271 VanDerWaalsContact O-CA 3.3Å; G265-Y271 WeakPolarHBondContact O-CA 3.18Å; G265-F272 WeakPolarHBondContact CA-O 3.37Å; G265-F272 PolarHBondContact O-N 3.09Å
266	W	97.8	Very high	97.9	Very high	170 Å²	170	51.8 Å²	51.8	64%	0.644	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	96.8	178.7	-158.4	-77.9	0	0	0	111.7	Q264 D270 Y271	Q264-W266 PolarHBondContact O-N 3.38Å; W266-D270 WeakPolarHBondContact CA-O 3.43Å; W266-Y271 HydrophobicContact CB-CD2 4.44Å; W266-Y271 HydrophobicContact CD2-CD2 4.44Å; W266-Y271 AromaticContact CE3-CD2 3.49Å; W266-Y271 HydrophobicContact CE3-CD2 3.49Å; W266-Y271 VanDerWaalsContact CE3-CD2 3.49Å; W266-Y271 HydrophobicContact CE3-CE2 4.4Å; W266-Y271 AromaticContact CE3-CG 3.78Å; W266-Y271 HydrophobicContact CE3-CG 3.78Å; W266-Y271 HydrophobicContact CZ3-CD2 4.11Å; W266-Y271 AromaticContact CZ3-CG 3.95Å; W266-Y271 HydrophobicContact CZ3-CG 3.95Å
267	N	96.2	Very high	97.9	Very high	24 Å²	24	52.4 Å²	52.4	13%	0.128	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146	-179.6	-72.5	-76.8	0	0	0	109.9	V220 W261 G269 D270	V220-N267 HydrophobicContact CB-CB 3.64Å; V220-N267 HydrophobicContact CG1-CB 4.46Å; V220-N267 HydrophobicContact CG2-CB 4.01Å; W261-N267 PolarHBondContact O-ND2 3.44Å; N267-G269 PolarHBondContact O-N 3.28Å; N267-D270 PolarHBondContact N-O 3.26Å; N267-D270 VanDerWaalsContact N-O 3.1Å; N267-D270 WeakPolarHBondContact O-CA 3.39Å; N267-D270 PolarHBondContact O-N 3.2Å
268	C	95.1	Very high	97.9	Very high	54 Å²	54	46.8 Å²	46.8	37%	0.365	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	10.4	174.7	-35.7	0	0	0	0	116.1	D270 C308	C268-D270 VanDerWaalsContact C-N 3.34Å; C268-C308 WeakPolarHBondContact CA-SG 3.29Å; C268-C308 HydrophobicContact CB-CB 3.72Å; C268-C308 WeakPolarHBondContact CB-SG 3.44Å; C268-C308 PolarHBondContact N-SG 3.21Å; C268-C308 VanDerWaalsContact N-SG 3.41Å; C268-C308 WeakPolarHBondContact SG-CA 3.13Å; C268-C308 WeakPolarHBondContact SG-CB 3.19Å; C268-C308 CovalentContact SG-SG 2.02Å; C268-C308 PolarHBondContact SG-SG 3.5Å
269	G	94.8	Very high	97.8	Very high	64 Å²	64	45.8 Å²	45.8	66%	0.66	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.2	-1.5	-170.9	0	0	0	0	0	114.1	N267	N267-G269 PolarHBondContact O-N 3.28Å
270	D	95.4	Very high	97.7	Very high	59 Å²	59	45.7 Å²	45.7	32%	0.316	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	154.3	173.3	-61.5	-53.8	0	0	0	111.2	W266 N267 C268 F272	W266-D270 WeakPolarHBondContact CA-O 3.43Å; N267-D270 PolarHBondContact N-O 3.26Å; N267-D270 VanDerWaalsContact N-O 3.1Å; N267-D270 WeakPolarHBondContact O-CA 3.39Å; N267-D270 PolarHBondContact O-N 3.2Å; C268-D270 VanDerWaalsContact C-N 3.34Å; D270-F272 HydrophobicContact CB-CD2 4.09Å; D270-F272 HydrophobicContact CB-CE2 3.47Å; D270-F272 VanDerWaalsContact CB-CE2 3.47Å; D270-F272 HydrophobicContact CB-CZ 4.03Å
271	Y	97.9	Very high	97.5	Very high	141 Å²	141	46 Å²	46	55%	0.553	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	113.4	172.3	-179.4	-114.5	0	0	0	111.3	G265 W266 P273	G265-Y271 CarbonylContact O-C 3.58Å; G265-Y271 VanDerWaalsContact O-CA 3.3Å; G265-Y271 WeakPolarHBondContact O-CA 3.18Å; W266-Y271 HydrophobicContact CB-CD2 4.44Å; W266-Y271 HydrophobicContact CD2-CD2 4.44Å; W266-Y271 AromaticContact CE3-CD2 3.49Å; W266-Y271 HydrophobicContact CE3-CD2 3.49Å; W266-Y271 VanDerWaalsContact CE3-CD2 3.49Å; W266-Y271 HydrophobicContact CE3-CE2 4.4Å; W266-Y271 AromaticContact CE3-CG 3.78Å; W266-Y271 HydrophobicContact CE3-CG 3.78Å; W266-Y271 HydrophobicContact CZ3-CD2 4.11Å; W266-Y271 AromaticContact CZ3-CG 3.95Å; W266-Y271 HydrophobicContact CZ3-CG 3.95Å; Y271-P273 HydrophobicContact CD1-CG 4.38Å; Y271-P273 HydrophobicContact CE1-CG 3.77Å
272	F	98.3	Very high	97.4	Very high	17 Å²	17	47 Å²	47	8%	0.075	25%	0.246	C	C	.	.			trans	-118.7	106.7	174.9	-61.3	-69.7	0	0	0	109.4	V221 G265 D270 D274 G275 T277 W282	V221-F272 HydrophobicContact CB-CB 4.49Å; V221-F272 HydrophobicContact CB-CD2 3.62Å; V221-F272 HydrophobicContact CB-CE2 3.94Å; V221-F272 HydrophobicContact CB-CG 4.03Å; V221-F272 HydrophobicContact CG1-CD2 4.15Å; V221-F272 HydrophobicContact CG1-CE2 3.93Å; V221-F272 HydrophobicContact CG1-CZ 4.29Å; V221-F272 HydrophobicContact CG2-CB 3.79Å; V221-F272 HydrophobicContact CG2-CD1 3.99Å; V221-F272 HydrophobicContact CG2-CD2 3.72Å; V221-F272 HydrophobicContact CG2-CE2 4.26Å; V221-F272 HydrophobicContact CG2-CG 3.55Å; G265-F272 WeakPolarHBondContact CA-O 3.37Å; G265-F272 PolarHBondContact O-N 3.09Å; D270-F272 HydrophobicContact CB-CD2 4.09Å; D270-F272 HydrophobicContact CB-CE2 3.47Å; D270-F272 VanDerWaalsContact CB-CE2 3.47Å; D270-F272 HydrophobicContact CB-CZ 4.03Å; F272-D274 PolarHBondContact O-N 3.47Å; F272-G275 WeakPolarHBondContact O-CA 3.32Å; F272-G275 PolarHBondContact O-N 2.74Å; F272-T277 HydrophobicContact CD1-CG2 4.23Å; F272-T277 HydrophobicContact CE1-CG2 4.12Å; F272-W282 HydrophobicContact CE1-CB 4.42Å; F272-W282 AromaticContact CE1-CD1 3.98Å; F272-W282 HydrophobicContact CE1-CD2 4.26Å; F272-W282 AromaticContact CE1-CG 3.99Å; F272-W282 HydrophobicContact CE1-CG 3.99Å; F272-W282 AromaticContact CZ-CD1 3.91Å; F272-W282 AromaticContact CZ-CD2 3.98Å; F272-W282 HydrophobicContact CZ-CD2 3.98Å; F272-W282 AromaticContact CZ-CE2 3.76Å; F272-W282 HydrophobicContact CZ-CG 4.09Å; F272-W282 HydrophobicContact CZ-CZ2 4.27Å; F272-W282 AromaticContact CZ-NE1 3.7Å
273	P	98.4	Very high	97.1	Very high	73 Å²	73	51.2 Å²	51.2	47%	0.474	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-50.4	133.6	174.6	-26.3	34.2	0	0	0	111.4	Y271 G275 I276	Y271-P273 HydrophobicContact CD1-CG 4.38Å; Y271-P273 HydrophobicContact CE1-CG 3.77Å; P273-G275 PolarHBondContact O-N 2.92Å; P273-I276 PolarHBondContact O-N 2.99Å
274	D	98.6	Very high	96.9	Very high	59 Å²	59	51.2 Å²	51.2	32%	0.316	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	57.8	12.3	-175.2	-54.7	-27.1	0	0	0	114.9	K253 S256 Y257 F272 I276	K253-D274 WeakPolarHBondContact CE-OD2 3.41Å; K253-D274 IonicContact NZ-OD2 3.56Å; K253-D274 PolarHBondContact NZ-OD2 3.12Å; S256-D274 WeakPolarHBondContact CB-O 3.28Å; S256-D274 PolarHBondContact OG-O 3.01Å; Y257-D274 HydrophobicContact CE2-CB 3.96Å; Y257-D274 VanDerWaalsContact OH-CG 3.31Å; Y257-D274 PolarHBondContact OH-OD1 2.8Å; F272-D274 PolarHBondContact O-N 3.47Å; D274-I276 VanDerWaalsContact C-N 3.27Å; D274-I276 HydrophobicContact CB-CG1 4.48Å; D274-I276 PolarHBondContact O-N 3.32Å
275	G	98.7	Very high	96.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	65.3	25.6	-176.7	0	0	0	0	0	114.2	V221 A222 S256 M262 F272 P273	V221-G275 WeakPolarHBondContact CA-O 3.45Å; V221-G275 WeakPolarHBondContact CG2-O 3.4Å; A222-G275 PolarHBondContact N-O 3.04Å; S256-G275 WeakPolarHBondContact OG-CA 3.25Å; S256-G275 PolarHBondContact OG-O 2.77Å; M262-G275 VanDerWaalsContact O-CA 3.25Å; M262-G275 WeakPolarHBondContact O-CA 3.3Å; F272-G275 WeakPolarHBondContact O-CA 3.32Å; F272-G275 PolarHBondContact O-N 2.74Å; P273-G275 PolarHBondContact O-N 2.92Å
276	I	98.9	Very high	96.7	Very high	14 Å²	14	48 Å²	48	7%	0.072	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	157.9	178.4	73.3	173	0	0	0	111.6	A222 Y224 Q249 A252 K253 P273 D274	A222-I276 HydrophobicContact CB-CG2 4.27Å; A222-I276 CarbonylContact O-C 3.25Å; A222-I276 VanDerWaalsContact O-CA 3.27Å; A222-I276 WeakPolarHBondContact O-CA 3.35Å; Y224-I276 HydrophobicContact CD1-CB 4.47Å; Y224-I276 HydrophobicContact CE1-CB 4.06Å; Y224-I276 HydrophobicContact CE1-CD1 3.9Å; Y224-I276 HydrophobicContact CE1-CG1 4.04Å; Q249-I276 HydrophobicContact CB-CD1 4.33Å; Q249-I276 HydrophobicContact CG-CD1 4.35Å; A252-I276 HydrophobicContact CB-CB 4.08Å; A252-I276 HydrophobicContact CB-CG2 3.71Å; K253-I276 HydrophobicContact CD-CD1 4.35Å; K253-I276 HydrophobicContact CG-CD1 3.92Å; K253-I276 HydrophobicContact CG-CG2 3.95Å; P273-I276 PolarHBondContact O-N 2.99Å; D274-I276 VanDerWaalsContact C-N 3.27Å; D274-I276 HydrophobicContact CB-CG1 4.48Å; D274-I276 PolarHBondContact O-N 3.32Å
277	T	98.7	Very high	96.7	Very high	13 Å²	13	43.5 Å²	43.5	8%	0.08	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	143.7	171.5	-169	0	0	0	0	112.5	V221 A222 N223 Y224 F272 W282	V221-T277 HydrophobicContact CG1-CG2 4.27Å; V221-T277 HydrophobicContact CG2-CG2 3.67Å; A222-T277 PolarHBondContact O-N 3.14Å; N223-T277 CarbonylContact C-O 3.56Å; N223-T277 VanDerWaalsContact CA-O 3.28Å; N223-T277 WeakPolarHBondContact CA-O 3.44Å; N223-T277 HydrophobicContact CB-CG2 4.11Å; Y224-T277 WeakPolarHBondContact CD1-O 3.46Å; Y224-T277 VanDerWaalsContact CE1-O 3.25Å; Y224-T277 WeakPolarHBondContact CE1-O 3.49Å; Y224-T277 PolarHBondContact N-O 3.37Å; F272-T277 HydrophobicContact CD1-CG2 4.23Å; F272-T277 HydrophobicContact CE1-CG2 4.12Å; T277-W282 HydrophobicContact CG2-CB 4.01Å; T277-W282 HydrophobicContact CG2-CD2 4.43Å; T277-W282 HydrophobicContact CG2-CE3 4.04Å; T277-W282 HydrophobicContact CG2-CG 4.47Å
278	N	98.7	Very high	96.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.011	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	135.6	160.4	167.5	-99.9	0	0	0	108.3	Y224 P225 Y226 N239 S240 A280 S281 W282	Y224-N278 HydrophobicContact CD2-CB 4.4Å; Y224-N278 HydrophobicContact CE2-CB 3.74Å; P225-N278 VanDerWaalsContact C-ND2 3.3Å; P225-N278 PolarHBondContact O-ND2 3.3Å; Y226-N278 PolarHBondContact N-ND2 3.04Å; Y226-N278 VanDerWaalsContact N-ND2 3.16Å; Y226-N278 PolarHBondContact O-ND2 3.17Å; N239-N278 WeakPolarHBondContact OD1-CB 3.37Å; N239-N278 PolarHBondContact OD1-OD1 2.85Å; N239-N278 VanDerWaalsContact OD1-OD1 3.11Å; S240-N278 PolarHBondContact N-OD1 3.42Å; S240-N278 VanDerWaalsContact N-OD1 3.07Å; S240-N278 PolarHBondContact O-ND2 2.71Å; S240-N278 VanDerWaalsContact O-ND2 3.11Å; N278-A280 PolarHBondContact O-N 2.97Å; N278-A280 PolarHBondContact OD1-N 2.9Å; N278-S281 WeakPolarHBondContact O-CB 3.32Å; N278-S281 PolarHBondContact O-N 3.27Å; N278-S281 VanDerWaalsContact O-N 3.16Å; N278-S281 PolarHBondContact OD1-N 2.98Å; N278-W282 PolarHBondContact O-N 3.13Å; N278-W282 VanDerWaalsContact O-N 3.11Å
279	G	98	Very high	97	Very high	1 Å²	1	40 Å²	40	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-48.6	-174.4	0	0	0	0	0	113.7	N223 Y224 S281 W282 Y283	N223-G279 WeakPolarHBondContact OD1-CA 3.28Å; Y224-G279 PolarHBondContact O-N 3.37Å; G279-S281 PolarHBondContact O-N 2.99Å; G279-W282 PolarHBondContact O-N 3.26Å; G279-Y283 CarbonylContact O-C 3.25Å; G279-Y283 PolarHBondContact O-N 3.07Å
280	A	96.3	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-28.5	177.5	0	0	0	0	0	113.8	Y226 D227 S238 S240 N278	Y226-A280 WeakPolarHBondContact O-CB 3.44Å; Y226-A280 PolarHBondContact O-N 3.21Å; D227-A280 WeakPolarHBondContact O-CA 3.28Å; D227-A280 PolarHBondContact O-N 3.01Å; S238-A280 PolarHBondContact N-O 2.98Å; S238-A280 CarbonylContact O-C 3.58Å; S238-A280 WeakPolarHBondContact O-CB 3.25Å; S240-A280 WeakPolarHBondContact OG-CB 3.09Å; N278-A280 PolarHBondContact O-N 2.97Å; N278-A280 PolarHBondContact OD1-N 2.9Å
281	S	95.3	Very high	97.3	Very high	50 Å²	50	34.3 Å²	34.3	35%	0.35	18%	0.178	S	C	.	.	H	α-helix	trans	-70.3	-32.8	174	-169	0	0	0	0	112.5	T237 N278 G279	T237-S281 WeakPolarHBondContact CB-O 3.27Å; T237-S281 PolarHBondContact OG1-O 3.12Å; N278-S281 WeakPolarHBondContact O-CB 3.32Å; N278-S281 PolarHBondContact O-N 3.27Å; N278-S281 VanDerWaalsContact O-N 3.16Å; N278-S281 PolarHBondContact OD1-N 2.98Å; G279-S281 PolarHBondContact O-N 2.99Å
282	W	95.4	Very high	97.4	Very high	60 Å²	60	27.7 Å²	27.7	23%	0.227	15%	0.152	C	C	.	.	H	α-helix	trans	-78.3	-59.5	174.3	179.8	21.3	0	0	0	110.9	A219 V221 T237 F272 T277 N278 G279 E305	A219-W282 HydrophobicContact CB-CH2 3.7Å; A219-W282 HydrophobicContact CB-CZ2 3.94Å; V221-W282 HydrophobicContact CG1-CE3 4.47Å; V221-W282 HydrophobicContact CG1-CH2 4.38Å; V221-W282 HydrophobicContact CG1-CZ3 4.08Å; T237-W282 VanDerWaalsContact CG2-O 3.31Å; T237-W282 WeakPolarHBondContact CG2-O 3.22Å; F272-W282 HydrophobicContact CE1-CB 4.42Å; F272-W282 AromaticContact CE1-CD1 3.98Å; F272-W282 HydrophobicContact CE1-CD2 4.26Å; F272-W282 AromaticContact CE1-CG 3.99Å; F272-W282 HydrophobicContact CE1-CG 3.99Å; F272-W282 AromaticContact CZ-CD1 3.91Å; F272-W282 AromaticContact CZ-CD2 3.98Å; F272-W282 HydrophobicContact CZ-CD2 3.98Å; F272-W282 AromaticContact CZ-CE2 3.76Å; F272-W282 HydrophobicContact CZ-CG 4.09Å; F272-W282 HydrophobicContact CZ-CZ2 4.27Å; F272-W282 AromaticContact CZ-NE1 3.7Å; T277-W282 HydrophobicContact CG2-CB 4.01Å; T277-W282 HydrophobicContact CG2-CD2 4.43Å; T277-W282 HydrophobicContact CG2-CE3 4.04Å; T277-W282 HydrophobicContact CG2-CG 4.47Å; N278-W282 PolarHBondContact O-N 3.13Å; N278-W282 VanDerWaalsContact O-N 3.11Å; G279-W282 PolarHBondContact O-N 3.26Å; W282-E305 HydrophobicContact CH2-CG 4.07Å; W282-E305 HydrophobicContact CZ3-CG 4.01Å
283	Y	92.2	Very high	97.4	Very high	87 Å²	87	26.9 Å²	26.9	34%	0.341	15%	0.148	S	C	.	.			trans	-161.7	137.9	168.7	63.6	-89	0	0	0	110.7	G279 L285	G279-Y283 CarbonylContact O-C 3.25Å; G279-Y283 PolarHBondContact O-N 3.07Å; Y283-L285 HydrophobicContact CD2-CB 4.45Å; Y283-L285 HydrophobicContact CE2-CB 4.16Å; Y283-L285 HydrophobicContact CE2-CD1 4.09Å; Y283-L285 PolarHBondContact O-N 3.34Å
284	S	94.6	Very high	97.4	Very high	68 Å²	68	23.4 Å²	23.4	48%	0.476	13%	0.126	S	C	.	.			trans	-65.3	126.1	-179.1	-173.4	0	0	0	0	111.9	D227 S229	D227-S284 WeakPolarHBondContact O-CA 3.46Å; S229-S284 PolarHBondContact N-OG 3.4Å
285	L	94.4	Very high	97.5	Very high	6 Å²	6	20.7 Å²	20.7	3%	0.031	11%	0.111	C	C	.	.			trans	-129.7	131.7	179.2	175.8	165.2	0	0	0	108.9	R161 D227 K228 Y283	R161-L285 VanDerWaalsContact NH1-CG 3.28Å; R161-L285 VanDerWaalsContact NH2-CD1 3.35Å; D227-L285 CarbonylContact C-O 3.55Å; D227-L285 VanDerWaalsContact C-O 3.25Å; D227-L285 HydrophobicContact CB-CB 4.08Å; D227-L285 HydrophobicContact CB-CD2 4.03Å; D227-L285 PolarHBondContact O-N 2.74Å; K228-L285 WeakPolarHBondContact CA-O 3.39Å; K228-L285 VanDerWaalsContact CB-O 3.28Å; K228-L285 WeakPolarHBondContact CB-O 3.12Å; K228-L285 PolarHBondContact N-O 3.39Å; K228-L285 VanDerWaalsContact N-O 3.12Å; Y283-L285 HydrophobicContact CD2-CB 4.45Å; Y283-L285 HydrophobicContact CE2-CB 4.16Å; Y283-L285 HydrophobicContact CE2-CD1 4.09Å; Y283-L285 PolarHBondContact O-N 3.34Å
286	S	96.4	Very high	97.5	Very high	46 Å²	46	21.6 Å²	21.6	32%	0.322	12%	0.115	S	C	.	.			trans	-118.3	159.5	175	61.1	0	0	0	0	110.4	R161 D165 G288	R161-S286 WeakPolarHBondContact CD-O 3.19Å; D165-S286 WeakPolarHBondContact OD2-CB 3.33Å; S286-G288 PolarHBondContact O-N 3.38Å
287	K	98.2	Very high	97.5	Very high	75 Å²	75	21.6 Å²	21.6	33%	0.326	12%	0.116	S	C	.	.	S	Bend	trans	62.5	28.3	179.9	-58.2	177	65.1	58.3	0	113.1	N160 R161 N162 F163 D165	N160-K287 CarbonylContact C-O 3.44Å; R161-K287 VanDerWaalsContact C-CB 3.41Å; R161-K287 CarbonylContact C-O 3.33Å; R161-K287 VanDerWaalsContact C-O 3.25Å; R161-K287 VanDerWaalsContact CA-O 3.31Å; R161-K287 WeakPolarHBondContact CA-O 3.34Å; R161-K287 WeakPolarHBondContact O-CB 3.24Å; R161-K287 WeakPolarHBondContact O-CD 3.42Å; R161-K287 WeakPolarHBondContact O-CE 3.33Å; N162-K287 PolarHBondContact N-O 2.95Å; N162-K287 VanDerWaalsContact N-O 3.16Å; F163-K287 PolarHBondContact N-O 2.91Å; F163-K287 WeakPolarHBondContact O-CA 3.48Å; F163-K287 WeakPolarHBondContact O-CB 3.32Å; F163-K287 VanDerWaalsContact O-CG 3.3Å; F163-K287 WeakPolarHBondContact O-CG 3.36Å; F163-K287 PolarHBondContact O-NZ 3.41Å; D165-K287 HydrophobicContact CB-CG 3.82Å
288	G	98.6	Very high	97.5	Very high	5 Å²	5	21.4 Å²	21.4	5%	0.052	11%	0.114	C	C	.	.			trans	-82.8	158.7	175.4	0	0	0	0	0	113	N160 S286 F292	N160-G288 WeakPolarHBondContact OD1-CA 3.39Å; S286-G288 PolarHBondContact O-N 3.38Å; G288-F292 WeakPolarHBondContact O-CB 3.47Å
289	M	98.9	Very high	97.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-72.2	-35.8	178.9	-171.8	167.8	68.9	0	0	112.5	V82 M85 M129 N160 F163 V200 N214 F292 N293	V82-M289 HydrophobicContact CB-CE 4.04Å; V82-M289 HydrophobicContact CG1-CE 3.91Å; V82-M289 HydrophobicContact CG2-CE 4.4Å; M85-M289 HydrophobicContact CE-CB 4.14Å; M85-M289 HydrophobicContact CE-CE 4.4Å; M85-M289 HydrophobicContact CE-SD 4.48Å; M85-M289 HydrophobicContact SD-CE 4.13Å; M129-M289 HydrophobicContact CE-SD 4.42Å; M129-M289 HydrophobicContact SD-SD 3.9Å; N160-M289 PolarHBondContact OD1-N 2.83Å; F163-M289 HydrophobicContact CD2-CB 3.92Å; F163-M289 HydrophobicContact CD2-CG 4.49Å; F163-M289 HydrophobicContact CE1-CB 4.32Å; F163-M289 HydrophobicContact CE1-CG 3.87Å; F163-M289 HydrophobicContact CE1-SD 4.42Å; F163-M289 HydrophobicContact CE2-CB 3.53Å; F163-M289 HydrophobicContact CE2-CG 3.81Å; F163-M289 HydrophobicContact CE2-SD 4.09Å; F163-M289 HydrophobicContact CG-CB 4.48Å; F163-M289 HydrophobicContact CZ-CB 3.75Å; F163-M289 HydrophobicContact CZ-CG 3.44Å; F163-M289 VanDerWaalsContact CZ-CG 3.44Å; F163-M289 HydrophobicContact CZ-SD 3.6Å; V200-M289 HydrophobicContact CG1-SD 3.85Å; N214-M289 HydrophobicContact CB-CE 3.34Å; M289-F292 WeakPolarHBondContact O-CB 3.48Å; M289-F292 PolarHBondContact O-N 2.94Å; M289-N293 PolarHBondContact O-N 3.41Å; M289-N293 VanDerWaalsContact O-N 3.09Å; M289-N293 PolarHBondContact O-ND2 2.92Å
290	Q	98.9	Very high	97.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.2	-60.3	-175.9	-172.5	-167	-97.7	0	0	111.8	N223 P225 D227 F292 N293 E301 T303	N223-Q290 PolarHBondContact ND2-NE2 2.79Å; N223-Q290 PolarHBondContact ND2-OE1 2.79Å; N223-Q290 PolarHBondContact O-OE1 3.29Å; N223-Q290 VanDerWaalsContact O-OE1 3.12Å; P225-Q290 HydrophobicContact CG-CG 3.85Å; D227-Q290 PolarHBondContact OD1-NE2 2.95Å; D227-Q290 PolarHBondContact OD2-NE2 3.47Å; Q290-F292 PolarHBondContact O-N 3.19Å; Q290-N293 PolarHBondContact O-N 3.18Å; Q290-E301 WeakPolarHBondContact CA-OE1 3.48Å; Q290-E301 VanDerWaalsContact CG-O 3.23Å; Q290-E301 WeakPolarHBondContact CG-O 3.36Å; Q290-E301 PolarHBondContact N-OE1 3.07Å; Q290-T303 PolarHBondContact OE1-OG1 3.45Å
291	D	98.9	Very high	97.7	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-28.5	179.2	-69.1	7.5	0	0	0	112	N167 Y226 D227 K228 Y294 L295	N167-D291 PolarHBondContact ND2-OD2 3.13Å; Y226-D291 HydrophobicContact CD1-CB 4.31Å; D227-D291 VanDerWaalsContact N-CG 3.33Å; D227-D291 PolarHBondContact N-OD1 3.5Å; D227-D291 PolarHBondContact N-OD2 3.12Å; K228-D291 PolarHBondContact N-OD2 3.08Å; D291-Y294 PolarHBondContact O-N 3.14Å; D291-L295 VanDerWaalsContact O-CB 3.31Å; D291-L295 WeakPolarHBondContact O-CB 3.44Å; D291-L295 VanDerWaalsContact O-CG 3.24Å; D291-L295 WeakPolarHBondContact O-CG 3.45Å; D291-L295 PolarHBondContact O-N 2.87Å
292	F	98.9	Very high	97.8	Very high	3 Å²	3	19 Å²	19	1%	0.013	10%	0.097	C	C	.	.	H	α-helix	trans	-63.5	-42	176.3	-179.2	-96.4	0	0	0	112.5	F163 P164 L166 L185 I201 I204 G288 M289 Q290 L295 H296	F163-F292 HydrophobicContact CB-CB 4.1Å; F163-F292 HydrophobicContact CB-CD2 4.21Å; F163-F292 HydrophobicContact CB-CG 4.18Å; F163-F292 HydrophobicContact CD1-CB 3.98Å; F163-F292 AromaticContact CD1-CD1 3.55Å; F163-F292 HydrophobicContact CD1-CD1 3.55Å; F163-F292 HydrophobicContact CD1-CD2 4.18Å; F163-F292 HydrophobicContact CD1-CE1 4.02Å; F163-F292 AromaticContact CD1-CG 3.63Å; F163-F292 HydrophobicContact CD1-CG 3.63Å; F163-F292 HydrophobicContact CE1-CD1 4Å; F163-F292 HydrophobicContact CE1-CE1 4.38Å; F163-F292 HydrophobicContact CE1-CG 4.49Å; F163-F292 HydrophobicContact CG-CB 4.28Å; F163-F292 HydrophobicContact CG-CG 4.29Å; P164-F292 HydrophobicContact CB-CD2 4.37Å; P164-F292 HydrophobicContact CB-CE2 4.04Å; P164-F292 HydrophobicContact CG-CD2 4.48Å; P164-F292 HydrophobicContact CG-CE2 3.86Å; L166-F292 HydrophobicContact CD1-CD2 3.9Å; L166-F292 HydrophobicContact CD1-CE2 4Å; L166-F292 HydrophobicContact CG-CD2 4.36Å; L185-F292 HydrophobicContact CD1-CZ 4.19Å; L185-F292 HydrophobicContact CD2-CE2 3.43Å; L185-F292 VanDerWaalsContact CD2-CE2 3.43Å; L185-F292 HydrophobicContact CD2-CZ 3.73Å; I201-F292 HydrophobicContact CB-CE1 4.37Å; I201-F292 HydrophobicContact CB-CZ 4.44Å; I201-F292 HydrophobicContact CD1-CE1 4.35Å; I201-F292 HydrophobicContact CD1-CZ 3.99Å; I201-F292 HydrophobicContact CG1-CE1 3.67Å; I201-F292 HydrophobicContact CG1-CZ 3.76Å; I201-F292 HydrophobicContact CG2-CE1 4.22Å; I201-F292 HydrophobicContact CG2-CZ 3.95Å; I204-F292 HydrophobicContact CD1-CD1 3.55Å; I204-F292 HydrophobicContact CD1-CE1 3.35Å; I204-F292 HydrophobicContact CG1-CE1 4.32Å; G288-F292 WeakPolarHBondContact O-CB 3.47Å; M289-F292 WeakPolarHBondContact O-CB 3.48Å; M289-F292 PolarHBondContact O-N 2.94Å; Q290-F292 PolarHBondContact O-N 3.19Å; F292-L295 PolarHBondContact O-N 2.99Å; F292-H296 HydrophobicContact CD1-CB 4.49Å; F292-H296 HydrophobicContact CD2-CB 4.4Å; F292-H296 HydrophobicContact CE1-CB 4.21Å; F292-H296 AromaticContact CE1-CD2 3.98Å; F292-H296 HydrophobicContact CE2-CB 4.11Å; F292-H296 HydrophobicContact CZ-CB 4Å; F292-H296 AromaticContact CZ-CD2 3.57Å; F292-H296 AromaticContact CZ-CG 3.85Å; F292-H296 WeakPolarHBondContact O-CB 3.47Å; F292-H296 PolarHBondContact O-N 3.36Å
293	N	98.9	Very high	98	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.6	-55.6	175.9	-81.6	-92.4	0	0	0	110.2	K80 M289 Q290 L295 H296 T297 C299 E301	K80-N293 WeakPolarHBondContact CE-OD1 3.15Å; K80-N293 PolarHBondContact NZ-OD1 3.46Å; M289-N293 PolarHBondContact O-N 3.41Å; M289-N293 VanDerWaalsContact O-N 3.09Å; M289-N293 PolarHBondContact O-ND2 2.92Å; Q290-N293 PolarHBondContact O-N 3.18Å; N293-L295 VanDerWaalsContact C-N 3.32Å; N293-L295 PolarHBondContact O-N 3.39Å; N293-H296 PolarHBondContact O-N 3.32Å; N293-T297 PolarHBondContact O-N 3.33Å; N293-T297 PolarHBondContact O-OG1 2.71Å; N293-C299 CarbonylContact C-O 3.46Å; N293-C299 HydrophobicContact CB-CB 4.14Å; N293-E301 HydrophobicContact CB-CB 3.8Å; N293-E301 PolarHBondContact ND2-OE1 2.92Å; N293-E301 PolarHBondContact ND2-OE2 3.38Å
294	Y	98.9	Very high	98.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.6	-38.2	-176.1	-174.6	-114	0	0	0	112.4	Y226 T242 D244 F248 D291 C299 F300 H363	Y226-Y294 AromaticContact CE1-CD1 3.81Å; Y226-Y294 HydrophobicContact CE1-CD1 3.81Å; Y226-Y294 HydrophobicContact CE1-CE1 4.19Å; Y226-Y294 AromaticContact CZ-CE1 3.94Å; Y226-Y294 WeakPolarHBondContact OH-CE1 3.28Å; T242-Y294 HydrophobicContact CG2-CD1 4.3Å; T242-Y294 HydrophobicContact CG2-CE1 3.91Å; D244-Y294 HydrophobicContact CB-CE2 4.47Å; D244-Y294 PolarHBondContact OD2-OH 2.86Å; F248-Y294 AromaticContact CE2-CD2 3.87Å; F248-Y294 HydrophobicContact CE2-CD2 3.87Å; F248-Y294 AromaticContact CE2-CE2 3.69Å; F248-Y294 HydrophobicContact CE2-CE2 3.69Å; F248-Y294 HydrophobicContact CE2-CG 4.36Å; F248-Y294 AromaticContact CZ-CD2 3.74Å; F248-Y294 HydrophobicContact CZ-CD2 3.74Å; F248-Y294 HydrophobicContact CZ-CE2 4.02Å; F248-Y294 HydrophobicContact CZ-CG 4.21Å; D291-Y294 PolarHBondContact O-N 3.14Å; Y294-C299 WeakPolarHBondContact CA-O 3.21Å; Y294-C299 PolarHBondContact N-O 3.37Å; Y294-F300 HydrophobicContact CD2-CD1 4.17Å; Y294-F300 HydrophobicContact CD2-CE1 4.14Å; Y294-F300 HydrophobicContact CD2-CG 4.42Å; Y294-F300 HydrophobicContact CD2-CZ 4.35Å; Y294-F300 AromaticContact CE2-CD1 3.98Å; Y294-F300 HydrophobicContact CE2-CD1 3.98Å; Y294-F300 AromaticContact CE2-CE1 3.53Å; Y294-F300 HydrophobicContact CE2-CE1 3.53Å; Y294-F300 HydrophobicContact CE2-CE2 4.42Å; Y294-F300 AromaticContact CE2-CZ 3.77Å; Y294-F300 HydrophobicContact CE2-CZ 3.77Å; Y294-H363 AromaticContact CD2-NE2 3.59Å; Y294-H363 AromaticContact CE2-CD2 3.22Å; Y294-H363 WeakPolarHBondContact CE2-CD2 3.47Å; Y294-H363 AromaticContact CE2-CE1 3.8Å; Y294-H363 AromaticContact CE2-CG 3.83Å; Y294-H363 AromaticContact CE2-NE2 3.23Å; Y294-H363 WeakPolarHBondContact CE2-NE2 3.47Å; Y294-H363 AromaticContact CZ-CD2 3.39Å; Y294-H363 AromaticContact CZ-CE1 3.86Å; Y294-H363 AromaticContact CZ-CG 3.48Å; Y294-H363 VanDerWaalsContact CZ-CG 3.48Å; Y294-H363 AromaticContact CZ-ND1 3.77Å; Y294-H363 AromaticContact CZ-NE2 3.67Å; Y294-H363 PolarHBondContact O-CE1 2.64Å; Y294-H363 WeakPolarHBondContact OH-CB 3.48Å; Y294-H363 PolarHBondContact OH-CD2 3.23Å; Y294-H363 VanDerWaalsContact OH-CG 3.25Å
295	L	98.9	Very high	98.5	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-85.1	-24.4	-175.5	-66.2	178.7	0	0	0	114.3	L166 N167 F170 H182 L183 Y226 D291 F292 N293	L166-L295 HydrophobicContact CB-CB 3.77Å; L166-L295 HydrophobicContact CB-CD1 3.78Å; L166-L295 HydrophobicContact CB-CG 4.44Å; L166-L295 HydrophobicContact CD1-CB 4.07Å; N167-L295 HydrophobicContact CB-CD1 4.35Å; F170-L295 HydrophobicContact CB-CD1 4.25Å; F170-L295 HydrophobicContact CB-CD2 3.73Å; F170-L295 HydrophobicContact CD1-CD2 4.28Å; F170-L295 HydrophobicContact CD2-CD2 3.48Å; F170-L295 VanDerWaalsContact CD2-CD2 3.48Å; F170-L295 HydrophobicContact CE2-CD2 4.2Å; F170-L295 HydrophobicContact CG-CD2 3.53Å; H182-L295 PolarHBondContact N-O 3Å; L183-L295 HydrophobicContact CD1-CB 4.39Å; L183-L295 HydrophobicContact CD1-CD2 4.46Å; L183-L295 PolarHBondContact N-O 2.84Å; Y226-L295 HydrophobicContact CE1-CD1 4.07Å; Y226-L295 HydrophobicContact CE1-CD2 3.84Å; Y226-L295 HydrophobicContact CE1-CG 4.02Å; Y226-L295 WeakPolarHBondContact OH-CD2 3.45Å; D291-L295 VanDerWaalsContact O-CB 3.31Å; D291-L295 WeakPolarHBondContact O-CB 3.44Å; D291-L295 VanDerWaalsContact O-CG 3.24Å; D291-L295 WeakPolarHBondContact O-CG 3.45Å; D291-L295 PolarHBondContact O-N 2.87Å; F292-L295 PolarHBondContact O-N 2.99Å; N293-L295 VanDerWaalsContact C-N 3.32Å; N293-L295 PolarHBondContact O-N 3.39Å
296	H	98.9	Very high	98.7	Very high	20 Å²	20	9.3 Å²	9.3	9%	0.093	5%	0.05	C	C	.	.	H	α-helix	trans	-104.9	-24.4	-175.7	-166.2	49.2	0	0	0	114.3	L166 L183 L185 F292 N293	L166-H296 HydrophobicContact CD1-CB 3.64Å; L183-H296 PolarHBondContact O-CE1 2.87Å; L183-H296 PolarHBondContact O-ND1 3.04Å; L185-H296 VanDerWaalsContact CD2-CE1 3.5Å; L185-H296 WeakPolarHBondContact CD2-CE1 3.45Å; L185-H296 WeakPolarHBondContact CD2-ND1 3.09Å; L185-H296 VanDerWaalsContact CG-CE1 3.4Å; L185-H296 WeakPolarHBondContact CG-CE1 3.5Å; F292-H296 HydrophobicContact CD1-CB 4.49Å; F292-H296 HydrophobicContact CD2-CB 4.4Å; F292-H296 HydrophobicContact CE1-CB 4.21Å; F292-H296 AromaticContact CE1-CD2 3.98Å; F292-H296 HydrophobicContact CE2-CB 4.11Å; F292-H296 HydrophobicContact CZ-CB 4Å; F292-H296 AromaticContact CZ-CD2 3.57Å; F292-H296 AromaticContact CZ-CG 3.85Å; F292-H296 WeakPolarHBondContact O-CB 3.47Å; F292-H296 PolarHBondContact O-N 3.36Å; N293-H296 PolarHBondContact O-N 3.32Å
297	T	98.9	Very high	98.8	Very high	13 Å²	13	7.4 Å²	7.4	8%	0.08	4%	0.037	C	C	.	.	S	Bend	trans	-131.2	-167.5	-175.3	76.9	0	0	0	0	110.8	H182 I204 N293 C299	H182-T297 VanDerWaalsContact CE1-C 3.48Å; I204-T297 HydrophobicContact CD1-CG2 3.87Å; I204-T297 HydrophobicContact CG1-CG2 4.05Å; N293-T297 PolarHBondContact O-N 3.33Å; N293-T297 PolarHBondContact O-OG1 2.71Å; T297-C299 VanDerWaalsContact C-N 3.31Å; T297-C299 VanDerWaalsContact OG1-CB 3.29Å; T297-C299 WeakPolarHBondContact OG1-CB 3.41Å; T297-C299 PolarHBondContact OG1-N 2.98Å
298	N	98.9	Very high	98.7	Very high	9 Å²	9	6.7 Å²	6.7	5%	0.048	4%	0.041	C	C	.	.	S	Bend	trans	-84.9	-3.8	170	-69.1	-46.6	0	0	0	113	H182 N208 F209 F300 V365 T366	H182-N298 PolarHBondContact CE1-OD1 3.31Å; N208-N298 PolarHBondContact OD1-ND2 3.24Å; F209-N298 CarbonylContact O-C 3.55Å; N298-F300 VanDerWaalsContact O-CD2 3.24Å; N298-F300 WeakPolarHBondContact O-CD2 3.32Å; N298-F300 WeakPolarHBondContact O-CE2 3.3Å; N298-V365 HydrophobicContact CB-CG1 4.39Å; N298-V365 VanDerWaalsContact OD1-CA 3.22Å; N298-V365 WeakPolarHBondContact OD1-CA 3.47Å; N298-V365 VanDerWaalsContact OD1-CB 3.24Å; N298-V365 WeakPolarHBondContact OD1-CB 3.41Å; N298-T366 PolarHBondContact ND2-O 3.44Å; N298-T366 VanDerWaalsContact ND2-O 3.13Å; N298-T366 PolarHBondContact ND2-OG1 2.89Å; N298-T366 PolarHBondContact OD1-N 3.06Å; N298-T366 PolarHBondContact OD1-OG1 3.06Å
299	C	98.9	Very high	98.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.056	C	C	.	.			trans	-82.9	124.3	-164.7	-172.3	0	0	0	0	112.4	F209 S212 N293 Y294 T297 E301	F209-C299 HydrophobicContact CB-CB 3.84Å; F209-C299 WeakPolarHBondContact O-CA 3.46Å; F209-C299 VanDerWaalsContact O-CB 3.23Å; F209-C299 WeakPolarHBondContact O-CB 3.37Å; F209-C299 PolarHBondContact O-N 3.25Å; S212-C299 WeakPolarHBondContact CB-SG 3.4Å; N293-C299 CarbonylContact C-O 3.46Å; N293-C299 HydrophobicContact CB-CB 4.14Å; Y294-C299 WeakPolarHBondContact CA-O 3.21Å; Y294-C299 PolarHBondContact N-O 3.37Å; T297-C299 VanDerWaalsContact C-N 3.31Å; T297-C299 VanDerWaalsContact OG1-CB 3.29Å; T297-C299 WeakPolarHBondContact OG1-CB 3.41Å; T297-C299 PolarHBondContact OG1-N 2.98Å; C299-E301 PolarHBondContact O-N 3.34Å
300	F	98.9	Very high	98.4	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.009	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	105.1	172.5	-70.7	-114.4	0	0	0	108.1	V210 L211 S212 D244 L247 F248 Y294 N298 V365 L376	V210-F300 PolarHBondContact O-N 3.3Å; L211-F300 HydrophobicContact CD1-CB 4.36Å; S212-F300 PolarHBondContact N-O 3.48Å; D244-F300 HydrophobicContact CB-CE1 3.79Å; L247-F300 HydrophobicContact CD2-CD1 3.87Å; L247-F300 HydrophobicContact CD2-CE1 3.66Å; L247-F300 HydrophobicContact CD2-CZ 4.49Å; F248-F300 HydrophobicContact CE1-CB 4.05Å; F248-F300 HydrophobicContact CE1-CD1 4.07Å; F248-F300 AromaticContact CE2-CD1 3.74Å; F248-F300 HydrophobicContact CE2-CD1 3.74Å; F248-F300 HydrophobicContact CE2-CE1 4.15Å; F248-F300 HydrophobicContact CZ-CB 4.05Å; F248-F300 AromaticContact CZ-CD1 3.48Å; F248-F300 HydrophobicContact CZ-CD1 3.48Å; F248-F300 VanDerWaalsContact CZ-CD1 3.48Å; F248-F300 HydrophobicContact CZ-CE1 4.3Å; F248-F300 HydrophobicContact CZ-CG 4.1Å; Y294-F300 HydrophobicContact CD2-CD1 4.17Å; Y294-F300 HydrophobicContact CD2-CE1 4.14Å; Y294-F300 HydrophobicContact CD2-CG 4.42Å; Y294-F300 HydrophobicContact CD2-CZ 4.35Å; Y294-F300 AromaticContact CE2-CD1 3.98Å; Y294-F300 HydrophobicContact CE2-CD1 3.98Å; Y294-F300 AromaticContact CE2-CE1 3.53Å; Y294-F300 HydrophobicContact CE2-CE1 3.53Å; Y294-F300 HydrophobicContact CE2-CE2 4.42Å; Y294-F300 AromaticContact CE2-CZ 3.77Å; Y294-F300 HydrophobicContact CE2-CZ 3.77Å; N298-F300 VanDerWaalsContact O-CD2 3.24Å; N298-F300 WeakPolarHBondContact O-CD2 3.32Å; N298-F300 WeakPolarHBondContact O-CE2 3.3Å; F300-V365 HydrophobicContact CE2-CG1 4.46Å; F300-L376 HydrophobicContact CB-CD1 4.26Å; F300-L376 HydrophobicContact CD2-CD1 4.41Å; F300-L376 HydrophobicContact CG-CD1 4.25Å
301	E	98.9	Very high	98.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.9	179	-168.5	173	99.2	0	0	111.7	K80 S212 N214 Q290 N293 C299	K80-E301 IonicContact NZ-OE2 3.74Å; K80-E301 PolarHBondContact NZ-OE2 2.85Å; S212-E301 VanDerWaalsContact O-CA 3.27Å; S212-E301 WeakPolarHBondContact O-CA 3.32Å; S212-E301 PolarHBondContact OG-OE2 2.78Å; S212-E301 VanDerWaalsContact OG-OE2 3.1Å; N214-E301 PolarHBondContact ND2-OE1 3.43Å; Q290-E301 WeakPolarHBondContact CA-OE1 3.48Å; Q290-E301 VanDerWaalsContact CG-O 3.23Å; Q290-E301 WeakPolarHBondContact CG-O 3.36Å; Q290-E301 PolarHBondContact N-OE1 3.07Å; N293-E301 HydrophobicContact CB-CB 3.8Å; N293-E301 PolarHBondContact ND2-OE1 2.92Å; N293-E301 PolarHBondContact ND2-OE2 3.38Å; C299-E301 PolarHBondContact O-N 3.34Å
302	I	98.9	Very high	98.2	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	160.8	166	66.4	168.8	0	0	0	111.1	S212 A213 N214 N223 F248 L304 F331	S212-I302 PolarHBondContact O-N 2.98Å; S212-I302 VanDerWaalsContact O-N 3.08Å; A213-I302 CarbonylContact C-O 3.33Å; A213-I302 WeakPolarHBondContact CA-O 3.34Å; A213-I302 HydrophobicContact CB-CG1 3.87Å; N214-I302 PolarHBondContact N-O 3.18Å; N214-I302 PolarHBondContact ND2-O 2.84Å; N223-I302 WeakPolarHBondContact O-CB 3.4Å; F248-I302 HydrophobicContact CD1-CG2 3.79Å; F248-I302 HydrophobicContact CE1-CG2 4.17Å; I302-L304 HydrophobicContact CD1-CD2 3.67Å; I302-L304 HydrophobicContact CD1-CG 4.27Å; I302-L304 HydrophobicContact CG1-CD2 4.27Å; I302-L304 HydrophobicContact CG1-CG 4.38Å; I302-F331 HydrophobicContact CD1-CD2 3.95Å; I302-F331 HydrophobicContact CD1-CE2 3.29Å; I302-F331 HydrophobicContact CD1-CZ 3.85Å; I302-F331 HydrophobicContact CG1-CE2 3.68Å; I302-F331 HydrophobicContact CG1-CZ 3.69Å
303	T	98.9	Very high	98	Very high	6 Å²	6	15.5 Å²	15.5	4%	0.037	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.2	176.7	-59.6	0	0	0	0	109.4	N214 H216 N223 Q290	N214-T303 PolarHBondContact ND2-OG1 2.89Å; N214-T303 WeakPolarHBondContact O-CA 3.11Å; N214-T303 WeakPolarHBondContact OD1-CG2 3.2Å; N214-T303 PolarHBondContact OD1-OG1 2.93Å; H216-T303 HydrophobicContact CB-CG2 4.41Å; N223-T303 WeakPolarHBondContact CA-O 3.46Å; N223-T303 HydrophobicContact CB-CG2 4.42Å; N223-T303 WeakPolarHBondContact CB-O 3.36Å; N223-T303 PolarHBondContact N-O 2.87Å; N223-T303 PolarHBondContact O-N 2.85Å; Q290-T303 PolarHBondContact OE1-OG1 3.45Å
304	L	98.9	Very high	97.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	108.6	-177.5	-62.4	172.3	0	0	0	109.7	A213 N214 H216 A222 Y255 I302 L306	A213-L304 HydrophobicContact CB-CD1 3.56Å; A213-L304 HydrophobicContact CB-CG 3.97Å; N214-L304 PolarHBondContact O-N 3.31Å; H216-L304 PolarHBondContact N-O 2.84Å; A222-L304 HydrophobicContact CB-CD2 3.85Å; Y255-L304 HydrophobicContact CD1-CD1 4.29Å; Y255-L304 HydrophobicContact CD1-CD2 3.68Å; Y255-L304 HydrophobicContact CD2-CD1 3.53Å; Y255-L304 HydrophobicContact CD2-CD2 4.04Å; Y255-L304 HydrophobicContact CD2-CG 4.44Å; Y255-L304 HydrophobicContact CE1-CD1 4.16Å; Y255-L304 HydrophobicContact CE1-CD2 4.16Å; Y255-L304 HydrophobicContact CE2-CD1 3.38Å; Y255-L304 HydrophobicContact CE2-CD2 4.49Å; Y255-L304 HydrophobicContact CG-CD1 4Å; Y255-L304 HydrophobicContact CG-CD2 3.61Å; Y255-L304 HydrophobicContact CG-CG 4.45Å; I302-L304 HydrophobicContact CD1-CD2 3.67Å; I302-L304 HydrophobicContact CD1-CG 4.27Å; I302-L304 HydrophobicContact CG1-CD2 4.27Å; I302-L304 HydrophobicContact CG1-CG 4.38Å; L304-L306 HydrophobicContact CB-CD2 3.73Å; L304-L306 HydrophobicContact CB-CG 4.43Å
305	E	98.9	Very high	97.6	Very high	12 Å²	12	26.6 Å²	26.6	6%	0.056	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	117.1	170.6	-66.7	-74.1	176.7	0	0	108.3	H216 G217 A219 V220 V221 M262 W282	H216-E305 HydrophobicContact CB-CG 4.31Å; H216-E305 WeakPolarHBondContact CB-OE1 3.42Å; H216-E305 VanDerWaalsContact CB-OE2 3.32Å; H216-E305 WeakPolarHBondContact CB-OE2 3.41Å; H216-E305 IonicContact CG-OE1 3.47Å; G217-E305 VanDerWaalsContact CA-OE2 3.28Å; G217-E305 WeakPolarHBondContact CA-OE2 3.29Å; G217-E305 PolarHBondContact N-OE2 2.96Å; G217-E305 VanDerWaalsContact N-OE2 3.13Å; A219-E305 HydrophobicContact CB-CB 3.95Å; A219-E305 HydrophobicContact CB-CG 4.18Å; A219-E305 CarbonylContact O-C 3.6Å; V220-E305 VanDerWaalsContact CA-O 3.28Å; V220-E305 WeakPolarHBondContact CA-O 3.24Å; V221-E305 HydrophobicContact CG1-CB 3.95Å; V221-E305 HydrophobicContact CG1-CG 4.05Å; V221-E305 PolarHBondContact N-O 3.4Å; V221-E305 VanDerWaalsContact N-O 3.08Å; V221-E305 WeakPolarHBondContact O-CB 3.27Å; V221-E305 PolarHBondContact O-N 3.3Å; M262-E305 VanDerWaalsContact CE-O 3.24Å; M262-E305 WeakPolarHBondContact CE-O 3.38Å; W282-E305 HydrophobicContact CH2-CG 4.07Å; W282-E305 HydrophobicContact CZ3-CG 4.01Å
306	L	98.7	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.			trans	-105.3	-25.5	-163	-57.4	-178.4	0	0	0	114.4	L91 L95 L215 H216 A219 Y255 M262 L304	L91-L306 HydrophobicContact CD2-CB 3.78Å; L91-L306 HydrophobicContact CG-CB 4.36Å; L95-L306 HydrophobicContact CD1-CD1 3.55Å; L215-L306 HydrophobicContact CB-CD1 3.94Å; L215-L306 HydrophobicContact CD2-CD1 3.75Å; L215-L306 HydrophobicContact CG-CD1 3.94Å; H216-L306 PolarHBondContact O-N 2.77Å; H216-L306 VanDerWaalsContact O-N 3.07Å; A219-L306 PolarHBondContact O-N 3.49Å; Y255-L306 HydrophobicContact CE1-CD2 3.95Å; M262-L306 HydrophobicContact CE-CD2 4.4Å; L304-L306 HydrophobicContact CB-CD2 3.73Å; L304-L306 HydrophobicContact CB-CG 4.43Å
307	S	97.7	Very high	97.4	Very high	6 Å²	6	29.1 Å²	29.1	4%	0.042	14%	0.142	C	C	.	.			trans	-152.9	142.5	-175.6	57.6	0	0	0	0	111.9	G218 A219 N309	G218-S307 PolarHBondContact N-O 3.13Å; A219-S307 CarbonylContact O-C 3.54Å; A219-S307 VanDerWaalsContact O-C 3.25Å; A219-S307 PolarHBondContact O-N 3.05Å; A219-S307 VanDerWaalsContact O-N 3.12Å; S307-N309 VanDerWaalsContact C-N 3.33Å; S307-N309 WeakPolarHBondContact CB-O 3.31Å; S307-N309 PolarHBondContact O-N 2.99Å; S307-N309 PolarHBondContact OG-O 2.96Å
308	C	95.5	Very high	97.3	Very high	61 Å²	61	33.7 Å²	33.7	41%	0.412	16%	0.162	S	C	.	.	S	Bend	trans	-61.2	-44.7	172.6	-49.2	0	0	0	0	111.4	C268 K310	C268-C308 WeakPolarHBondContact CA-SG 3.29Å; C268-C308 HydrophobicContact CB-CB 3.72Å; C268-C308 WeakPolarHBondContact CB-SG 3.44Å; C268-C308 PolarHBondContact N-SG 3.21Å; C268-C308 VanDerWaalsContact N-SG 3.41Å; C268-C308 WeakPolarHBondContact SG-CA 3.13Å; C268-C308 WeakPolarHBondContact SG-CB 3.19Å; C268-C308 CovalentContact SG-SG 2.02Å; C268-C308 PolarHBondContact SG-SG 3.5Å; C308-K310 PolarHBondContact O-N 3.01Å
309	N	95.4	Very high	97.3	Very high	67 Å²	67	41 Å²	41	36%	0.358	19%	0.189	S	C	.	.	S	Bend	trans	-77.9	116.4	172.9	-172.4	-5.7	0	0	0	108.7	S307 F311 P312	S307-N309 VanDerWaalsContact C-N 3.33Å; S307-N309 WeakPolarHBondContact CB-O 3.31Å; S307-N309 PolarHBondContact O-N 2.99Å; S307-N309 PolarHBondContact OG-O 2.96Å; N309-F311 PolarHBondContact ND2-O 2.82Å; N309-F311 PolarHBondContact O-N 2.04Å; N309-F311 VanDerWaalsContact OD1-C 3.26Å; N309-F311 PolarHBondContact OD1-N 3.37Å; N309-F311 PolarHBondContact OD1-O 3.01Å; N309-P312 WeakPolarHBondContact ND2-CA 3.27Å; N309-P312 WeakPolarHBondContact O-CD 3.48Å
310	K	96.2	Very high	97.2	Very high	13 Å²	13	41.7 Å²	41.7	6%	0.057	19%	0.193	C	C	.	.	S	Bend	trans	-63.1	-34.2	178.6	-59	-163.6	167.6	-153.7	0	112.1	N88 E89 V90 Y147 G217 C308 P312	N88-K310 CarbonylContact O-C 3.47Å; N88-K310 VanDerWaalsContact O-CB 3.31Å; N88-K310 WeakPolarHBondContact O-CB 3.22Å; E89-K310 CarbonylContact C-O 3.58Å; E89-K310 WeakPolarHBondContact CA-O 3.37Å; E89-K310 HydrophobicContact CG-CB 4.1Å; E89-K310 HydrophobicContact CG-CD 3.81Å; E89-K310 HydrophobicContact CG-CG 4.15Å; E89-K310 IonicContact OE1-NZ 3.5Å; E89-K310 PolarHBondContact OE1-NZ 3.33Å; V90-K310 PolarHBondContact N-O 2.99Å; Y147-K310 HydrophobicContact CD2-CD 4.43Å; Y147-K310 HydrophobicContact CE2-CD 4.41Å; Y147-K310 VanDerWaalsContact CE2-CE 3.45Å; G217-K310 WeakPolarHBondContact O-CE 3.38Å; C308-K310 PolarHBondContact O-N 3.01Å; K310-P312 WeakPolarHBondContact O-CD 3.42Å
311	F	97.2	Very high	97.2	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.018	20%	0.195	C	C	.	.	S	Bend	trans	-124.4	74.9	178.3	-154.3	149	0	0	0	108.9	H25 V90 A137 A138 P142 N309	H25-F311 AromaticContact CD2-CE2 3.79Å; H25-F311 AromaticContact CE1-CD2 3.89Å; H25-F311 AromaticContact CE1-CE2 3.56Å; H25-F311 AromaticContact CG-CE2 3.76Å; H25-F311 AromaticContact ND1-CE2 3.62Å; H25-F311 AromaticContact NE2-CE2 3.67Å; V90-F311 HydrophobicContact CB-CD2 3.94Å; V90-F311 HydrophobicContact CB-CE2 4.15Å; V90-F311 HydrophobicContact CB-CG 4.15Å; V90-F311 HydrophobicContact CG1-CD2 4.08Å; V90-F311 HydrophobicContact CG1-CE2 3.86Å; V90-F311 HydrophobicContact CG1-CZ 4.32Å; V90-F311 HydrophobicContact CG2-CB 4.31Å; V90-F311 HydrophobicContact CG2-CD1 3.57Å; V90-F311 HydrophobicContact CG2-CD2 3.79Å; V90-F311 HydrophobicContact CG2-CE1 3.66Å; V90-F311 HydrophobicContact CG2-CE2 3.89Å; V90-F311 HydrophobicContact CG2-CG 3.63Å; V90-F311 HydrophobicContact CG2-CZ 3.82Å; A137-F311 HydrophobicContact CB-CD1 4.21Å; A137-F311 HydrophobicContact CB-CE1 4.08Å; A138-F311 HydrophobicContact CB-CE1 4.22Å; A138-F311 HydrophobicContact CB-CZ 4.17Å; P142-F311 HydrophobicContact CB-CD2 3.78Å; P142-F311 HydrophobicContact CB-CE2 4.25Å; P142-F311 HydrophobicContact CB-CG 4.18Å; P142-F311 WeakPolarHBondContact CB-O 3.45Å; N309-F311 PolarHBondContact ND2-O 2.82Å; N309-F311 PolarHBondContact O-N 2.04Å; N309-F311 VanDerWaalsContact OD1-C 3.26Å; N309-F311 PolarHBondContact OD1-N 3.37Å; N309-F311 PolarHBondContact OD1-O 3.01Å
312	P	95.8	Very high	97.2	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	22%	0.22	C	C	.	.			trans	-60.3	152.8	179.7	28.6	-34.3	0	0	0	110.3	H25 L91 N309 K310 E316 L317	H25-P312 PolarHBondContact CE1-O 3.05Å; H25-P312 PolarHBondContact NE2-O 3.23Å; H25-P312 VanDerWaalsContact NE2-O 3.07Å; L91-P312 HydrophobicContact CB-CG 4.13Å; L91-P312 HydrophobicContact CD1-CG 4.4Å; N309-P312 WeakPolarHBondContact ND2-CA 3.27Å; N309-P312 WeakPolarHBondContact O-CD 3.48Å; K310-P312 WeakPolarHBondContact O-CD 3.42Å; P312-E316 HydrophobicContact CB-CB 4.33Å; P312-L317 HydrophobicContact CG-CD2 4.21Å
313	R	94.6	Very high	97.2	Very high	110 Å²	110	47.6 Å²	47.6	42%	0.415	23%	0.225	S	C	.	.			trans	-70.9	158.2	179.2	-58.2	-177.2	178.9	153.2	3.3	110.6	P142 N143 E315 E316	P142-R313 HydrophobicContact CB-CG 4.46Å; N143-R313 PolarHBondContact OD1-NE 3.34Å; N143-R313 PolarHBondContact OD1-NH2 2.68Å; R313-E315 HydrophobicContact CB-CG 4.25Å; R313-E315 WeakPolarHBondContact CB-OE1 3.48Å; R313-E315 VanDerWaalsContact CB-OE2 3.26Å; R313-E315 WeakPolarHBondContact CB-OE2 3.24Å; R313-E315 WeakPolarHBondContact CD-OE1 3.28Å; R313-E315 PolarHBondContact O-N 3.47Å; R313-E316 HydrophobicContact CB-CG 4.43Å; R313-E316 WeakPolarHBondContact CB-OE1 3.2Å; R313-E316 PolarHBondContact N-OE1 3.05Å; R313-E316 WeakPolarHBondContact O-CB 3.19Å; R313-E316 PolarHBondContact O-N 3.41Å
314	Q	94.7	Very high	97.2	Very high	99 Å²	99	47.3 Å²	47.3	46%	0.463	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-57	-38.6	-177.1	170	166.2	-25.1	0	0	112.6	F23 R24 H25 E316 L317	F23-Q314 WeakPolarHBondContact O-CG 3.26Å; F23-Q314 PolarHBondContact O-NE2 3.37Å; F23-Q314 VanDerWaalsContact O-NE2 3.12Å; R24-Q314 HydrophobicContact CB-CG 4.38Å; H25-Q314 PolarHBondContact NE2-N 2.64Å; Q314-E316 PolarHBondContact O-N 3.36Å; Q314-L317 WeakPolarHBondContact O-CB 3.36Å; Q314-L317 PolarHBondContact O-N 3.07Å
315	E	95.2	Very high	97.2	Very high	135 Å²	135	51.9 Å²	51.9	63%	0.631	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-64	-18	177.9	61.8	-90.7	-153.2	0	0	114	R313	R313-E315 HydrophobicContact CB-CG 4.25Å; R313-E315 WeakPolarHBondContact CB-OE1 3.48Å; R313-E315 VanDerWaalsContact CB-OE2 3.26Å; R313-E315 WeakPolarHBondContact CB-OE2 3.24Å; R313-E315 WeakPolarHBondContact CD-OE1 3.28Å; R313-E315 PolarHBondContact O-N 3.47Å
316	E	96.2	Very high	97.2	Very high	67 Å²	67	54.3 Å²	54.3	31%	0.313	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-88.2	-23.4	179.4	-57.5	176.4	-103.8	0	0	112.1	P312 R313 Q314 Q318 R319 E320	P312-E316 HydrophobicContact CB-CB 4.33Å; R313-E316 HydrophobicContact CB-CG 4.43Å; R313-E316 WeakPolarHBondContact CB-OE1 3.2Å; R313-E316 PolarHBondContact N-OE1 3.05Å; R313-E316 WeakPolarHBondContact O-CB 3.19Å; R313-E316 PolarHBondContact O-N 3.41Å; Q314-E316 PolarHBondContact O-N 3.36Å; E316-Q318 VanDerWaalsContact C-N 3.28Å; E316-Q318 PolarHBondContact O-N 2.99Å; E316-Q318 VanDerWaalsContact O-N 3.16Å; E316-R319 WeakPolarHBondContact O-CB 3.28Å; E316-R319 PolarHBondContact O-N 3.32Å; E316-E320 PolarHBondContact O-N 3.13Å
317	L	97.5	Very high	97.2	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-35.5	-171.3	-66.8	178.9	0	0	0	113.9	F23 L91 E94 P312 Q314 E320 W321	F23-L317 HydrophobicContact CB-CB 4.07Å; F23-L317 HydrophobicContact CD1-CB 4.25Å; L91-L317 HydrophobicContact CD1-CD2 4.11Å; E94-L317 HydrophobicContact CB-CD2 4.3Å; E94-L317 HydrophobicContact CG-CD1 4.41Å; E94-L317 HydrophobicContact CG-CD2 4.3Å; P312-L317 HydrophobicContact CG-CD2 4.21Å; Q314-L317 WeakPolarHBondContact O-CB 3.36Å; Q314-L317 PolarHBondContact O-N 3.07Å; L317-E320 PolarHBondContact O-N 2.98Å; L317-W321 WeakPolarHBondContact O-CB 3.26Å; L317-W321 PolarHBondContact O-N 3.29Å
318	Q	97.6	Very high	97.2	Very high	109 Å²	109	54 Å²	54	51%	0.509	25%	0.249	S	C	.	.	H	α-helix	trans	-65.8	-43.1	177.4	-177.4	174.1	16.2	0	0	111.7	F23 E316 E320 W321 L322	F23-Q318 HydrophobicContact CB-CB 4.4Å; F23-Q318 HydrophobicContact CD1-CB 4.14Å; F23-Q318 HydrophobicContact CD2-CB 3.62Å; F23-Q318 HydrophobicContact CD2-CG 3.81Å; F23-Q318 HydrophobicContact CE1-CB 4.37Å; F23-Q318 HydrophobicContact CE2-CB 3.88Å; F23-Q318 HydrophobicContact CE2-CG 3.57Å; F23-Q318 HydrophobicContact CG-CB 3.77Å; F23-Q318 HydrophobicContact CG-CG 4.4Å; F23-Q318 HydrophobicContact CZ-CB 4.25Å; F23-Q318 HydrophobicContact CZ-CG 3.98Å; E316-Q318 VanDerWaalsContact C-N 3.28Å; E316-Q318 PolarHBondContact O-N 2.99Å; E316-Q318 VanDerWaalsContact O-N 3.16Å; Q318-E320 VanDerWaalsContact C-N 3.33Å; Q318-W321 PolarHBondContact O-N 2.76Å; Q318-L322 HydrophobicContact CG-CD1 4.31Å; Q318-L322 WeakPolarHBondContact O-CG 3.46Å; Q318-L322 PolarHBondContact O-N 3.42Å
319	R	97.8	Very high	97.4	Very high	162 Å²	162	51.3 Å²	51.3	61%	0.611	23%	0.231	S	C	*	.	H	α-helix	trans	-63.1	-44.6	177.2	177.1	-174	170.2	-170.8	-3.3	110.2	W261 E316 L322 G323	W261-R319 HydrophobicContact CH2-CG 4.21Å; W261-R319 HydrophobicContact CZ3-CG 4.46Å; E316-R319 WeakPolarHBondContact O-CB 3.28Å; E316-R319 PolarHBondContact O-N 3.32Å; R319-L322 PolarHBondContact O-N 3.25Å; R319-G323 PolarHBondContact O-N 2.93Å
320	E	98.5	Very high	97.6	Very high	16 Å²	16	51 Å²	51	8%	0.075	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-43.3	178.9	-66.6	-61	157.9	0	0	112.1	L91 W261 E316 L317 Q318 G323 N324	L91-E320 HydrophobicContact CD1-CB 3.51Å; L91-E320 HydrophobicContact CD1-CG 3.89Å; L91-E320 HydrophobicContact CD2-CB 3.93Å; L91-E320 HydrophobicContact CD2-CG 3.83Å; L91-E320 WeakPolarHBondContact CD2-OE2 3.3Å; L91-E320 HydrophobicContact CG-CB 4.36Å; W261-E320 VanDerWaalsContact CZ2-OE2 3.3Å; W261-E320 WeakPolarHBondContact CZ2-OE2 3.48Å; E316-E320 PolarHBondContact O-N 3.13Å; L317-E320 PolarHBondContact O-N 2.98Å; Q318-E320 VanDerWaalsContact C-N 3.33Å; E320-G323 PolarHBondContact O-N 2.93Å; E320-N324 WeakPolarHBondContact O-CB 3.5Å; E320-N324 PolarHBondContact O-N 3.38Å; E320-N324 PolarHBondContact O-ND2 3.33Å
321	W	98.6	Very high	97.7	Very high	17 Å²	17	50.6 Å²	50.6	6%	0.064	23%	0.225	C	C	.	.	H	α-helix	trans	-57.9	-49.9	173.3	166.8	-113.3	0	0	0	112.2	F23 L95 Q98 L99 F102 L317 Q318 G323 N324 R325 L328	F23-W321 HydrophobicContact CD1-CB 4.47Å; F23-W321 HydrophobicContact CE1-CB 3.59Å; F23-W321 AromaticContact CE1-CD1 3.74Å; F23-W321 AromaticContact CE1-CG 3.77Å; F23-W321 HydrophobicContact CE1-CG 3.77Å; F23-W321 HydrophobicContact CZ-CB 4.26Å; F23-W321 AromaticContact CZ-CD1 3.59Å; F23-W321 HydrophobicContact CZ-CG 4.1Å; L95-W321 HydrophobicContact CD2-CB 4.11Å; L95-W321 HydrophobicContact CD2-CE3 3.95Å; Q98-W321 HydrophobicContact CB-CD2 3.87Å; Q98-W321 HydrophobicContact CB-CE3 3.6Å; Q98-W321 HydrophobicContact CB-CG 4.46Å; Q98-W321 HydrophobicContact CB-CH2 4.38Å; Q98-W321 HydrophobicContact CB-CZ3 3.88Å; L99-W321 HydrophobicContact CB-CH2 4.36Å; L99-W321 HydrophobicContact CB-CZ3 4.14Å; L99-W321 HydrophobicContact CD1-CH2 4.41Å; F102-W321 HydrophobicContact CB-CH2 3.71Å; F102-W321 HydrophobicContact CB-CZ2 3.64Å; F102-W321 HydrophobicContact CD1-CH2 4.27Å; F102-W321 HydrophobicContact CD1-CZ2 4.44Å; F102-W321 AromaticContact CD2-CZ2 3.94Å; F102-W321 HydrophobicContact CD2-CZ2 3.94Å; F102-W321 AromaticContact CG-CH2 3.94Å; F102-W321 HydrophobicContact CG-CH2 3.94Å; F102-W321 AromaticContact CG-CZ2 3.75Å; F102-W321 HydrophobicContact CG-CZ2 3.75Å; L317-W321 WeakPolarHBondContact O-CB 3.26Å; L317-W321 PolarHBondContact O-N 3.29Å; Q318-W321 PolarHBondContact O-N 2.76Å; W321-G323 PolarHBondContact O-N 3.36Å; W321-N324 PolarHBondContact O-N 3.2Å; W321-N324 VanDerWaalsContact O-N 3.14Å; W321-R325 HydrophobicContact CD2-CB 4.18Å; W321-R325 HydrophobicContact CE3-CB 4.27Å; W321-R325 HydrophobicContact CH2-CB 3.97Å; W321-R325 HydrophobicContact CH2-CG 3.65Å; W321-R325 HydrophobicContact CZ2-CB 3.87Å; W321-R325 VanDerWaalsContact CZ2-CD 3.46Å; W321-R325 HydrophobicContact CZ2-CG 3.47Å; W321-R325 VanDerWaalsContact CZ2-CG 3.47Å; W321-R325 HydrophobicContact CZ3-CB 4.17Å; W321-R325 HydrophobicContact CZ3-CG 4.34Å; W321-R325 WeakPolarHBondContact O-CB 3.38Å; W321-R325 PolarHBondContact O-N 3.2Å; W321-L328 HydrophobicContact CZ3-CD1 4.08Å
322	L	98.4	Very high	97.8	Very high	100 Å²	100	50.6 Å²	50.6	52%	0.524	23%	0.225	S	C	.	.	H	α-helix	trans	-62.9	-32.4	179.6	-67.5	174.3	0	0	0	112.3	Q318 R319	Q318-L322 HydrophobicContact CG-CD1 4.31Å; Q318-L322 WeakPolarHBondContact O-CG 3.46Å; Q318-L322 PolarHBondContact O-N 3.42Å; R319-L322 PolarHBondContact O-N 3.25Å
323	G	98.6	Very high	97.9	Very high	9 Å²	9	53.3 Å²	53.3	9%	0.093	24%	0.238	C	C	.	.	H	α-helix	trans	-74.1	-24.5	175.5	0	0	0	0	0	114.8	H259 G260 R319 E320 W321	H259-G323 WeakPolarHBondContact CA-O 3.48Å; H259-G323 PolarHBondContact CD2-O 3.23Å; G260-G323 PolarHBondContact N-O 3.2Å; R319-G323 PolarHBondContact O-N 2.93Å; E320-G323 PolarHBondContact O-N 2.93Å; W321-G323 PolarHBondContact O-N 3.36Å
324	N	98.9	Very high	98.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-106.2	-25.6	-175.5	-79.3	-89.5	0	0	0	114.3	L95 Y255 H259 E320 W321 E326 A327 L328	L95-N324 HydrophobicContact CD1-CB 3.93Å; L95-N324 HydrophobicContact CD2-CB 4.1Å; Y255-N324 PolarHBondContact OH-OD1 2.88Å; H259-N324 VanDerWaalsContact CD2-CG 3.43Å; H259-N324 PolarHBondContact CD2-OD1 2.78Å; H259-N324 PolarHBondContact NE2-ND2 3.45Å; H259-N324 VanDerWaalsContact NE2-ND2 3.11Å; H259-N324 PolarHBondContact NE2-OD1 2.9Å; E320-N324 WeakPolarHBondContact O-CB 3.5Å; E320-N324 PolarHBondContact O-N 3.38Å; E320-N324 PolarHBondContact O-ND2 3.33Å; W321-N324 PolarHBondContact O-N 3.2Å; W321-N324 VanDerWaalsContact O-N 3.14Å; N324-E326 VanDerWaalsContact C-N 3.32Å; N324-E326 PolarHBondContact O-N 3.1Å; N324-A327 WeakPolarHBondContact O-CB 3.31Å; N324-A327 PolarHBondContact O-N 3.37Å; N324-L328 HydrophobicContact CB-CD1 4.2Å; N324-L328 WeakPolarHBondContact O-CG 3.44Å; N324-L328 PolarHBondContact O-N 3.17Å
325	R	98.7	Very high	98.3	Very high	95 Å²	95	45.4 Å²	45.4	36%	0.358	21%	0.206	S	C	.	.	H	α-helix	trans	-51.5	-48.2	-171.4	178	-174.3	69.3	-176.7	-1.8	113	F102 W321 L328 I329	F102-R325 HydrophobicContact CE1-CG 4.41Å; F102-R325 HydrophobicContact CE2-CG 4.44Å; F102-R325 HydrophobicContact CZ-CG 4.29Å; W321-R325 HydrophobicContact CD2-CB 4.18Å; W321-R325 HydrophobicContact CE3-CB 4.27Å; W321-R325 HydrophobicContact CH2-CB 3.97Å; W321-R325 HydrophobicContact CH2-CG 3.65Å; W321-R325 HydrophobicContact CZ2-CB 3.87Å; W321-R325 VanDerWaalsContact CZ2-CD 3.46Å; W321-R325 HydrophobicContact CZ2-CG 3.47Å; W321-R325 VanDerWaalsContact CZ2-CG 3.47Å; W321-R325 HydrophobicContact CZ3-CB 4.17Å; W321-R325 HydrophobicContact CZ3-CG 4.34Å; W321-R325 WeakPolarHBondContact O-CB 3.38Å; W321-R325 PolarHBondContact O-N 3.2Å; R325-L328 PolarHBondContact O-N 3.3Å; R325-I329 WeakPolarHBondContact O-CG1 3.43Å; R325-I329 PolarHBondContact O-N 3.24Å
326	E	98.8	Very high	98.5	Very high	64 Å²	64	40.9 Å²	40.9	30%	0.299	19%	0.185	S	C	.	.	H	α-helix	trans	-66.2	-42.2	-179.3	-177.7	57	-151.6	0	0	111.7	R113 A258 N324 L328 I329 Q330	R113-E326 IonicContact CZ-OE1 3.38Å; R113-E326 VanDerWaalsContact CZ-OE1 3.32Å; R113-E326 IonicContact CZ-OE2 3.02Å; R113-E326 VanDerWaalsContact NH1-CD 3.27Å; R113-E326 IonicContact NH1-OE1 3.57Å; R113-E326 PolarHBondContact NH1-OE1 3.19Å; R113-E326 IonicContact NH1-OE2 2.86Å; R113-E326 PolarHBondContact NH1-OE2 3.12Å; R113-E326 IonicContact NH2-OE1 2.67Å; R113-E326 PolarHBondContact NH2-OE1 3.24Å; R113-E326 IonicContact NH2-OE2 3.33Å; A258-E326 HydrophobicContact CB-CG 4.41Å; N324-E326 VanDerWaalsContact C-N 3.32Å; N324-E326 PolarHBondContact O-N 3.1Å; E326-L328 PolarHBondContact O-N 2.91Å; E326-I329 PolarHBondContact O-N 3.42Å; E326-Q330 HydrophobicContact CG-CG 4.41Å; E326-Q330 WeakPolarHBondContact O-CG 3.43Å; E326-Q330 PolarHBondContact O-N 3.16Å; E326-Q330 VanDerWaalsContact OE1-CG 3.26Å; E326-Q330 WeakPolarHBondContact OE1-CG 3.19Å; E326-Q330 PolarHBondContact OE1-NE2 3.01Å
327	A	98.9	Very high	98.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.5	-41.2	177.2	0	0	0	0	0	112.5	Y255 A258 H259 N324 I329 Q330 F331	Y255-A327 HydrophobicContact CD1-CB 3.92Å; Y255-A327 HydrophobicContact CD2-CB 3.8Å; Y255-A327 HydrophobicContact CE1-CB 3.84Å; Y255-A327 HydrophobicContact CE2-CB 3.71Å; Y255-A327 HydrophobicContact CG-CB 3.9Å; Y255-A327 WeakPolarHBondContact O-CB 3.39Å; A258-A327 HydrophobicContact CB-CB 3.85Å; H259-A327 HydrophobicContact CB-CB 4.24Å; N324-A327 WeakPolarHBondContact O-CB 3.31Å; N324-A327 PolarHBondContact O-N 3.37Å; A327-I329 VanDerWaalsContact C-N 3.32Å; A327-I329 PolarHBondContact O-N 2.73Å; A327-Q330 PolarHBondContact O-N 3.07Å; A327-F331 VanDerWaalsContact O-CB 3.27Å; A327-F331 WeakPolarHBondContact O-CB 3.31Å; A327-F331 PolarHBondContact O-N 3.17Å
328	L	98.9	Very high	98.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.7	-40.7	176.5	-73.4	166.2	0	0	0	112	Y81 L95 L99 L215 Y255 W321 N324 R325 E326 L332	Y81-L328 HydrophobicContact CE1-CD2 4.14Å; Y81-L328 HydrophobicContact CE2-CD2 3.99Å; Y81-L328 WeakPolarHBondContact OH-CA 3.39Å; Y81-L328 PolarHBondContact OH-O 3.24Å; L95-L328 HydrophobicContact CB-CD1 4.36Å; L99-L328 HydrophobicContact CD2-CB 4.47Å; L215-L328 HydrophobicContact CD2-CD2 4.39Å; Y255-L328 HydrophobicContact CE2-CD2 3.99Å; Y255-L328 HydrophobicContact CE2-CG 4.2Å; W321-L328 HydrophobicContact CZ3-CD1 4.08Å; N324-L328 HydrophobicContact CB-CD1 4.2Å; N324-L328 WeakPolarHBondContact O-CG 3.44Å; N324-L328 PolarHBondContact O-N 3.17Å; R325-L328 PolarHBondContact O-N 3.3Å; E326-L328 PolarHBondContact O-N 2.91Å; L328-L332 WeakPolarHBondContact O-CG 3.28Å; L328-L332 PolarHBondContact O-N 3.27Å
329	I	98.9	Very high	98.7	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.015	15%	0.152	C	C	.	.	H	α-helix	trans	-73.3	-48.6	177.8	-60.9	-60.7	0	0	0	111	L99 F102 L103 R113 I114 L117 R325 E326 A327 F331 L332 E333	L99-I329 HydrophobicContact CD1-CD1 3.78Å; F102-I329 HydrophobicContact CD1-CD1 4.26Å; F102-I329 HydrophobicContact CE1-CD1 3.86Å; F102-I329 HydrophobicContact CE1-CG1 4.02Å; L103-I329 HydrophobicContact CD2-CD1 3.99Å; R113-I329 VanDerWaalsContact CZ-CG2 3.49Å; I114-I329 HydrophobicContact CD1-CD1 3.93Å; I114-I329 HydrophobicContact CD1-CG1 4.46Å; I114-I329 HydrophobicContact CD1-CG2 4.31Å; L117-I329 HydrophobicContact CD2-CD1 4.27Å; L117-I329 HydrophobicContact CD2-CG2 4.17Å; R325-I329 WeakPolarHBondContact O-CG1 3.43Å; R325-I329 PolarHBondContact O-N 3.24Å; E326-I329 PolarHBondContact O-N 3.42Å; A327-I329 VanDerWaalsContact C-N 3.32Å; A327-I329 PolarHBondContact O-N 2.73Å; I329-F331 PolarHBondContact O-N 3.07Å; I329-L332 PolarHBondContact O-N 3.09Å; I329-L332 VanDerWaalsContact O-N 3.13Å; I329-E333 WeakPolarHBondContact O-CG 3.5Å; I329-E333 PolarHBondContact O-N 3.05Å
330	Q	98.9	Very high	98.7	Very high	62 Å²	62	28.2 Å²	28.2	29%	0.29	13%	0.132	S	C	.	.	H	α-helix	trans	-60.3	-35.2	179.9	-74	-166.9	28	0	0	113.1	R113 V254 A258 E326 A327 E333 Q334	R113-Q330 VanDerWaalsContact NH2-CG 3.35Å; V254-Q330 HydrophobicContact CG1-CB 3.88Å; A258-Q330 HydrophobicContact CB-CB 4.48Å; A258-Q330 HydrophobicContact CB-CG 4.47Å; E326-Q330 HydrophobicContact CG-CG 4.41Å; E326-Q330 WeakPolarHBondContact O-CG 3.43Å; E326-Q330 PolarHBondContact O-N 3.16Å; E326-Q330 VanDerWaalsContact OE1-CG 3.26Å; E326-Q330 WeakPolarHBondContact OE1-CG 3.19Å; E326-Q330 PolarHBondContact OE1-NE2 3.01Å; A327-Q330 PolarHBondContact O-N 3.07Å; Q330-E333 WeakPolarHBondContact CA-OE2 2.94Å; Q330-E333 WeakPolarHBondContact O-CB 3.4Å; Q330-E333 PolarHBondContact O-N 3.1Å; Q330-Q334 WeakPolarHBondContact O-CG 3.08Å; Q330-Q334 PolarHBondContact O-N 2.89Å; Q330-Q334 PolarHBondContact O-NE2 3.48Å
331	F	98.9	Very high	98.7	Very high	3 Å²	3	27.4 Å²	27.4	1%	0.013	13%	0.128	C	C	.	.	H	α-helix	trans	-68	-40.6	176.6	-178	-93.2	0	0	0	112.3	Y81 L211 S212 A213 L251 Y255 I302 A327 I329 E333 Q334	Y81-F331 AromaticContact CE1-CD1 3.74Å; Y81-F331 HydrophobicContact CE1-CD1 3.74Å; Y81-F331 HydrophobicContact CE1-CE1 4.12Å; Y81-F331 AromaticContact CZ-CD1 3.78Å; Y81-F331 WeakPolarHBondContact OH-CB 3.45Å; Y81-F331 VanDerWaalsContact OH-CD1 3.26Å; Y81-F331 WeakPolarHBondContact OH-CD1 3.43Å; L211-F331 HydrophobicContact CD1-CE1 4.31Å; L211-F331 HydrophobicContact CD1-CE2 4.22Å; L211-F331 HydrophobicContact CD1-CZ 3.69Å; L211-F331 HydrophobicContact CD2-CD1 4.42Å; L211-F331 HydrophobicContact CD2-CE1 4.05Å; L211-F331 HydrophobicContact CD2-CE2 4.48Å; L211-F331 HydrophobicContact CD2-CZ 4.08Å; L211-F331 WeakPolarHBondContact CD2-O 3.47Å; L211-F331 HydrophobicContact CG-CE1 3.89Å; L211-F331 HydrophobicContact CG-CZ 3.79Å; S212-F331 VanDerWaalsContact O-CZ 3.3Å; S212-F331 WeakPolarHBondContact O-CZ 3.47Å; A213-F331 HydrophobicContact CB-CD1 4.37Å; A213-F331 HydrophobicContact CB-CE1 3.71Å; A213-F331 HydrophobicContact CB-CZ 3.99Å; L251-F331 HydrophobicContact CB-CE2 4.36Å; Y255-F331 HydrophobicContact CD2-CB 3.93Å; Y255-F331 HydrophobicContact CD2-CG 4.34Å; I302-F331 HydrophobicContact CD1-CD2 3.95Å; I302-F331 HydrophobicContact CD1-CE2 3.29Å; I302-F331 HydrophobicContact CD1-CZ 3.85Å; I302-F331 HydrophobicContact CG1-CE2 3.68Å; I302-F331 HydrophobicContact CG1-CZ 3.69Å; A327-F331 VanDerWaalsContact O-CB 3.27Å; A327-F331 WeakPolarHBondContact O-CB 3.31Å; A327-F331 PolarHBondContact O-N 3.17Å; I329-F331 PolarHBondContact O-N 3.07Å; F331-E333 VanDerWaalsContact C-N 3.26Å; F331-E333 PolarHBondContact O-N 2.7Å; F331-Q334 WeakPolarHBondContact O-CB 3.28Å; F331-Q334 PolarHBondContact O-N 3.03Å; F331-Q334 VanDerWaalsContact O-N 3.13Å
332	L	98.9	Very high	98.8	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-60.2	-39.8	172.6	-68.8	171.5	0	0	0	111.3	V79 Y81 L117 I123 L328 I329 Q334 V335	V79-L332 HydrophobicContact CB-CD2 4.29Å; V79-L332 HydrophobicContact CG2-CD2 3.63Å; Y81-L332 HydrophobicContact CD2-CD2 3.98Å; Y81-L332 HydrophobicContact CD2-CG 4.43Å; Y81-L332 HydrophobicContact CE2-CD1 3.88Å; Y81-L332 HydrophobicContact CE2-CD2 3.53Å; Y81-L332 HydrophobicContact CE2-CG 3.58Å; L117-L332 HydrophobicContact CD1-CB 4.16Å; L117-L332 HydrophobicContact CD2-CB 4.4Å; L117-L332 HydrophobicContact CD2-CD1 4.27Å; I123-L332 HydrophobicContact CD1-CD1 4.3Å; I123-L332 HydrophobicContact CG2-CD1 4.33Å; I123-L332 HydrophobicContact CG2-CD2 4.15Å; L328-L332 WeakPolarHBondContact O-CG 3.28Å; L328-L332 PolarHBondContact O-N 3.27Å; I329-L332 PolarHBondContact O-N 3.09Å; I329-L332 VanDerWaalsContact O-N 3.13Å; L332-Q334 PolarHBondContact O-N 3.38Å; L332-V335 VanDerWaalsContact O-CG1 3.29Å; L332-V335 WeakPolarHBondContact O-CG1 3.38Å; L332-V335 PolarHBondContact O-N 3.31Å
333	E	98.8	Very high	98.8	Very high	58 Å²	58	23 Å²	23	27%	0.271	11%	0.106	S	C	.	.	H	α-helix	trans	-63.2	-23.8	177.9	-67.7	170	151.4	0	0	112.9	R113 L117 I329 Q330 F331 V335 H336	R113-E333 WeakPolarHBondContact CG-OE1 3.44Å; R113-E333 IonicContact CZ-OE1 2.84Å; R113-E333 IonicContact CZ-OE2 3.86Å; R113-E333 IonicContact NE-OE1 3.32Å; R113-E333 PolarHBondContact NE-OE1 2.88Å; R113-E333 IonicContact NE-OE2 3.67Å; R113-E333 IonicContact NH2-OE1 2.89Å; R113-E333 IonicContact NH2-OE2 3.97Å; R113-E333 PolarHBondContact NH2-OE2 3.11Å; L117-E333 HydrophobicContact CD1-CG 4.14Å; I329-E333 WeakPolarHBondContact O-CG 3.5Å; I329-E333 PolarHBondContact O-N 3.05Å; Q330-E333 WeakPolarHBondContact CA-OE2 2.94Å; Q330-E333 WeakPolarHBondContact O-CB 3.4Å; Q330-E333 PolarHBondContact O-N 3.1Å; F331-E333 VanDerWaalsContact C-N 3.26Å; F331-E333 PolarHBondContact O-N 2.7Å; E333-V335 PolarHBondContact O-N 3.47Å; E333-V335 VanDerWaalsContact O-N 3.12Å; E333-H336 PolarHBondContact O-N 3.05Å; E333-H336 VanDerWaalsContact O-N 3.11Å
334	Q	98.8	Very high	98.8	Very high	38 Å²	38	24.1 Å²	24.1	18%	0.178	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.5	177.4	-62	-50.1	-77.6	0	0	113.8	L211 L251 V254 Q330 F331 L332 H336 Q337	L211-Q334 HydrophobicContact CD2-CB 3.87Å; L251-Q334 HydrophobicContact CD2-CB 3.54Å; L251-Q334 HydrophobicContact CD2-CG 3.95Å; V254-Q334 HydrophobicContact CB-CG 4.14Å; V254-Q334 HydrophobicContact CG1-CG 3.76Å; V254-Q334 HydrophobicContact CG2-CG 4.13Å; Q330-Q334 WeakPolarHBondContact O-CG 3.08Å; Q330-Q334 PolarHBondContact O-N 2.89Å; Q330-Q334 PolarHBondContact O-NE2 3.48Å; F331-Q334 WeakPolarHBondContact O-CB 3.28Å; F331-Q334 PolarHBondContact O-N 3.03Å; F331-Q334 VanDerWaalsContact O-N 3.13Å; L332-Q334 PolarHBondContact O-N 3.38Å; Q334-H336 PolarHBondContact O-N 2.9Å; Q334-Q337 WeakPolarHBondContact O-CG 3.3Å; Q334-Q337 VanDerWaalsContact OE1-OE1 3.07Å
335	V	98.8	Very high	98.7	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.03	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-21	173.2	78.5	0	0	0	0	112.2	P77 V79 T121 V210 L211 L332 E333 Q337 L376	P77-V335 HydrophobicContact CB-CG1 4.29Å; P77-V335 HydrophobicContact CB-CG2 3.56Å; P77-V335 HydrophobicContact CG-CG1 3.78Å; P77-V335 HydrophobicContact CG-CG2 3.99Å; V79-V335 HydrophobicContact CG1-CB 3.52Å; V79-V335 HydrophobicContact CG1-CG1 3.73Å; V79-V335 HydrophobicContact CG1-CG2 3.43Å; V79-V335 VanDerWaalsContact CG1-CG2 3.43Å; T121-V335 HydrophobicContact CG2-CG1 3.92Å; V210-V335 HydrophobicContact CB-CG2 3.72Å; V210-V335 HydrophobicContact CG1-CG2 3.68Å; L211-V335 HydrophobicContact CB-CB 4.16Å; L211-V335 HydrophobicContact CB-CG2 3.98Å; L211-V335 HydrophobicContact CD2-CB 4.17Å; L332-V335 VanDerWaalsContact O-CG1 3.29Å; L332-V335 WeakPolarHBondContact O-CG1 3.38Å; L332-V335 PolarHBondContact O-N 3.31Å; E333-V335 PolarHBondContact O-N 3.47Å; E333-V335 VanDerWaalsContact O-N 3.12Å; V335-Q337 VanDerWaalsContact C-N 3.3Å; V335-Q337 PolarHBondContact O-N 3.21Å; V335-L376 WeakPolarHBondContact O-CD2 3.07Å
336	H	98.6	Very high	98.5	Very high	41 Å²	41	23.2 Å²	23.2	19%	0.19	11%	0.11	C	C	.	.	S	Bend	trans	-91.9	46.5	-177.9	-64.7	-62.7	0	0	0	112.9	P77 D120 T121 E333 Q334 P405	P77-H336 VanDerWaalsContact CG-CE1 3.43Å; P77-H336 WeakPolarHBondContact CG-CE1 3.24Å; D120-H336 PolarHBondContact O-CE1 3.25Å; T121-H336 PolarHBondContact OG1-NE2 3.48Å; E333-H336 PolarHBondContact O-N 3.05Å; E333-H336 VanDerWaalsContact O-N 3.11Å; Q334-H336 PolarHBondContact O-N 2.9Å; H336-P405 WeakPolarHBondContact O-CD 3.46Å
337	Q	98.1	Very high	98.4	Very high	30 Å²	30	25.5 Å²	25.5	14%	0.14	12%	0.124	C	C	.	.			trans	-132.9	170.1	173.3	74.6	178.8	75.6	0	0	112.3	Q334 V335 L376 L377	Q334-Q337 WeakPolarHBondContact O-CG 3.3Å; Q334-Q337 VanDerWaalsContact OE1-OE1 3.07Å; V335-Q337 VanDerWaalsContact C-N 3.3Å; V335-Q337 PolarHBondContact O-N 3.21Å; Q337-L376 HydrophobicContact CG-CD2 4.03Å; Q337-L377 PolarHBondContact NE2-O 3.33Å
338	G	98.6	Very high	98.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	15%	0.15	C	C	.	.	S	Bend	trans	82.6	-127.9	178.5	0	0	0	0	0	112.8	R375 P405 A406	G338-R375 WeakPolarHBondContact CA-O 3.25Å; G338-P405 CarbonylContact O-C 3.58Å; G338-P405 VanDerWaalsContact O-CA 3.23Å; G338-P405 WeakPolarHBondContact O-CA 3.45Å; G338-A406 PolarHBondContact O-N 3.06Å
339	I	98.8	Very high	98.2	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.1	178.6	65.9	177.3	0	0	0	110.9	Y373 R375 L377 V384 V398 V400 A406 V408	I339-Y373 HydrophobicContact CD1-CE2 4.05Å; I339-Y373 HydrophobicContact CG1-CE2 4.03Å; I339-R375 HydrophobicContact CD1-CB 4.21Å; I339-R375 HydrophobicContact CG1-CB 3.68Å; I339-R375 HydrophobicContact CG1-CG 4.37Å; I339-R375 PolarHBondContact N-O 3.39Å; I339-R375 PolarHBondContact O-N 3.11Å; I339-L377 HydrophobicContact CD1-CD1 4.32Å; I339-L377 HydrophobicContact CG1-CD1 4.29Å; I339-L377 HydrophobicContact CG2-CD1 4.39Å; I339-V384 HydrophobicContact CD1-CB 4.5Å; I339-V384 HydrophobicContact CD1-CG1 3.93Å; I339-V384 HydrophobicContact CD1-CG2 3.95Å; I339-V398 HydrophobicContact CG2-CG1 4.13Å; I339-V398 HydrophobicContact CG2-CG2 3.93Å; I339-V400 HydrophobicContact CG2-CG2 3.58Å; I339-A406 VanDerWaalsContact CA-O 3.29Å; I339-A406 WeakPolarHBondContact CA-O 3.33Å; I339-A406 HydrophobicContact CG2-CB 4.2Å; I339-V408 HydrophobicContact CB-CG2 4.39Å; I339-V408 HydrophobicContact CG2-CG2 4.34Å
340	K	98.8	Very high	98.1	Very high	44 Å²	44	37.4 Å²	37.4	19%	0.191	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	163.2	168	67.4	-180	-177.2	178.1	0	110.2	L75 Y373 F374 P405 A406 L407 V408	L75-K340 HydrophobicContact CB-CD 4.34Å; L75-K340 PolarHBondContact O-NZ 2.84Å; K340-Y373 WeakPolarHBondContact CA-O 3.48Å; K340-Y373 WeakPolarHBondContact CB-O 3.48Å; K340-F374 HydrophobicContact CB-CD1 3.74Å; K340-F374 HydrophobicContact CB-CE1 4.19Å; K340-F374 HydrophobicContact CB-CG 4.49Å; K340-F374 HydrophobicContact CD-CD1 4.06Å; K340-F374 HydrophobicContact CD-CE1 3.88Å; K340-P405 HydrophobicContact CD-CB 4.47Å; K340-P405 HydrophobicContact CD-CG 3.99Å; K340-P405 HydrophobicContact CG-CB 4.19Å; K340-P405 HydrophobicContact CG-CG 4.17Å; K340-A406 PolarHBondContact N-O 2.77Å; K340-L407 HydrophobicContact CG-CD1 4.4Å; K340-L407 CarbonylContact O-C 3.59Å; K340-L407 VanDerWaalsContact O-CA 3.31Å; K340-L407 WeakPolarHBondContact O-CA 3.36Å; K340-V408 PolarHBondContact O-N 2.86Å
341	G	98.8	Very high	98.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168	-172.7	176.6	0	0	0	0	0	113.5	L75 D372 Y373 V408 N409	L75-G341 VanDerWaalsContact CD2-CA 3.45Å; G341-D372 CarbonylContact O-C 3.55Å; G341-D372 VanDerWaalsContact O-CA 3.23Å; G341-D372 WeakPolarHBondContact O-CA 3.33Å; G341-Y373 PolarHBondContact N-O 2.96Å; G341-Y373 VanDerWaalsContact N-O 3.11Å; G341-Y373 WeakPolarHBondContact O-CD1 3.43Å; G341-Y373 PolarHBondContact O-N 3.42Å; G341-V408 WeakPolarHBondContact CA-O 3.39Å; G341-N409 WeakPolarHBondContact CA-OD1 3.46Å
342	M	98.8	Very high	98	Very high	24 Å²	24	39.7 Å²	39.7	12%	0.118	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	144	179.7	-52.9	-59.1	-66.3	0	0	110.9	P74 L75 L344 H370 D372 N409 F410	P74-M342 HydrophobicContact CB-CE 4.28Å; P74-M342 HydrophobicContact CB-SD 4.25Å; L75-M342 HydrophobicContact CD1-SD 4.49Å; L75-M342 HydrophobicContact CD2-CG 4.4Å; L75-M342 HydrophobicContact CD2-SD 3.78Å; L75-M342 HydrophobicContact CG-SD 3.97Å; M342-L344 HydrophobicContact CB-CD2 4.01Å; M342-L344 HydrophobicContact CB-CG 4.13Å; M342-H370 WeakPolarHBondContact CE-O 3.26Å; M342-D372 HydrophobicContact CE-CB 4.14Å; M342-D372 HydrophobicContact SD-CB 3.56Å; M342-D372 VanDerWaalsContact SD-CB 3.56Å; M342-N409 PolarHBondContact N-OD1 2.89Å; M342-N409 CarbonylContact O-C 3.55Å; M342-N409 VanDerWaalsContact O-CA 3.3Å; M342-N409 WeakPolarHBondContact O-CA 3.48Å; M342-F410 PolarHBondContact O-N 2.78Å
343	V	98.8	Very high	98	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.8	163.5	-168.8	0	0	0	0	108.7	L351 A354 I356 G371 Y373 F410 L412	V343-L351 HydrophobicContact CB-CB 4.41Å; V343-L351 HydrophobicContact CG1-CB 4.15Å; V343-L351 HydrophobicContact CG1-CD1 4.22Å; V343-L351 PolarHBondContact O-N 2.02Å; V343-A354 HydrophobicContact CB-CB 3.93Å; V343-A354 HydrophobicContact CG1-CB 3.6Å; V343-A354 HydrophobicContact CG2-CB 4.08Å; V343-I356 HydrophobicContact CG2-CD1 4.21Å; V343-I356 HydrophobicContact CG2-CG1 4.39Å; V343-G371 PolarHBondContact N-O 3.05Å; V343-Y373 HydrophobicContact CG2-CD1 3.98Å; V343-Y373 HydrophobicContact CG2-CE1 4.43Å; V343-F410 CarbonylContact C-O 3.16Å; V343-F410 WeakPolarHBondContact CA-O 3.3Å; V343-F410 HydrophobicContact CG1-CB 4.21Å; V343-F410 HydrophobicContact CG2-CB 4.46Å; V343-L412 HydrophobicContact CG1-CD1 3.81Å; V343-L412 HydrophobicContact CG1-CG 4.03Å
344	L	98.5	Very high	98	Very high	33 Å²	33	38.4 Å²	38.4	17%	0.173	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	152.9	-172.1	-53.6	176.2	0	0	0	111	M342 N349 N350 F410 Q411 L412	M342-L344 HydrophobicContact CB-CD2 4.01Å; M342-L344 HydrophobicContact CB-CG 4.13Å; L344-N349 CarbonylContact C-O 3.58Å; L344-N349 VanDerWaalsContact CA-O 3.23Å; L344-N349 WeakPolarHBondContact CA-O 3.49Å; L344-N350 VanDerWaalsContact CD2-OD1 3.23Å; L344-N350 WeakPolarHBondContact CD2-OD1 3.29Å; L344-F410 PolarHBondContact N-O 3.25Å; L344-Q411 CarbonylContact O-C 3.51Å; L344-Q411 WeakPolarHBondContact O-CA 3.49Å; L344-L412 PolarHBondContact O-N 3.39Å
345	D	97.2	Very high	98	Very high	13 Å²	13	37.6 Å²	37.6	7%	0.07	21%	0.213	C	C	.	.			trans	-81.9	177.8	168.5	76.4	5	0	0	0	112.4	N347 S348 N349 L351 Y391 Q411 L412	D345-N347 PolarHBondContact O-N 3.04Å; D345-N347 VanDerWaalsContact O-N 3.09Å; D345-N347 VanDerWaalsContact OD1-C 3.23Å; D345-N347 VanDerWaalsContact OD1-CA 3.26Å; D345-N347 WeakPolarHBondContact OD1-CA 3.45Å; D345-N347 WeakPolarHBondContact OD1-CB 3.38Å; D345-N347 PolarHBondContact OD1-N 2.69Å; D345-S348 PolarHBondContact O-N 3.35Å; D345-S348 PolarHBondContact OD1-N 3.49Å; D345-N349 PolarHBondContact N-O 3.45Å; D345-N349 PolarHBondContact OD1-N 3.46Å; D345-N349 PolarHBondContact OD1-ND2 3.4Å; D345-N349 WeakPolarHBondContact OD2-CB 3.18Å; D345-N349 PolarHBondContact OD2-ND2 3.34Å; D345-L351 HydrophobicContact CB-CD1 4.17Å; D345-L351 HydrophobicContact CB-CD2 4.09Å; D345-L351 HydrophobicContact CB-CG 4.12Å; D345-Y391 HydrophobicContact CB-CE1 3.75Å; D345-Q411 WeakPolarHBondContact O-CG 3.01Å; D345-Q411 PolarHBondContact O-NE2 3.29Å; D345-L412 CarbonylContact C-O 3.39Å
346	E	95.1	Very high	98	Very high	62 Å²	62	37.3 Å²	37.3	29%	0.29	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.5	177.1	60.9	-94.9	-164.1	0	0	114.5	Y391 Q411 L412 R414	E346-Y391 WeakPolarHBondContact OE2-CE1 3.37Å; E346-Q411 PolarHBondContact O-NE2 3.27Å; E346-L412 PolarHBondContact N-O 3Å; E346-L412 VanDerWaalsContact N-O 3.08Å; E346-R414 WeakPolarHBondContact OE1-CD 3.5Å; E346-R414 VanDerWaalsContact OE1-CG 3.27Å; E346-R414 WeakPolarHBondContact OE1-CG 3.38Å; E346-R414 IonicContact OE1-NE 3.73Å; E346-R414 PolarHBondContact OE2-N 3.12Å
347	N	96.1	Very high	98	Very high	112 Å²	112	36.6 Å²	36.6	60%	0.599	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	9.5	179	-54.5	-62	0	0	0	112.6	D345 N349	D345-N347 PolarHBondContact O-N 3.04Å; D345-N347 VanDerWaalsContact O-N 3.09Å; D345-N347 VanDerWaalsContact OD1-C 3.23Å; D345-N347 VanDerWaalsContact OD1-CA 3.26Å; D345-N347 WeakPolarHBondContact OD1-CA 3.45Å; D345-N347 WeakPolarHBondContact OD1-CB 3.38Å; D345-N347 PolarHBondContact OD1-N 2.69Å; N347-N349 VanDerWaalsContact C-N 3.27Å; N347-N349 PolarHBondContact O-N 2.86Å
348	S	95.8	Very high	98	Very high	78 Å²	78	35.4 Å²	35.4	55%	0.545	21%	0.206	S	C	.	.	S	Bend	trans	65.7	21.6	-176.6	-51.2	0	0	0	0	114.7	D345	D345-S348 PolarHBondContact O-N 3.35Å; D345-S348 PolarHBondContact OD1-N 3.49Å
349	N	97.2	Very high	98	Very high	93 Å²	93	39.3 Å²	39.3	50%	0.497	23%	0.233	S	C	.	.			trans	-80.8	146.8	168.6	-53.4	-61.2	0	0	0	110.4	L344 D345 N347	L344-N349 CarbonylContact C-O 3.58Å; L344-N349 VanDerWaalsContact CA-O 3.23Å; L344-N349 WeakPolarHBondContact CA-O 3.49Å; D345-N349 PolarHBondContact N-O 3.45Å; D345-N349 PolarHBondContact OD1-N 3.46Å; D345-N349 PolarHBondContact OD1-ND2 3.4Å; D345-N349 WeakPolarHBondContact OD2-CB 3.18Å; D345-N349 PolarHBondContact OD2-ND2 3.34Å; N347-N349 VanDerWaalsContact C-N 3.27Å; N347-N349 PolarHBondContact O-N 2.86Å
350	N	98.1	Very high	98	Very high	82 Å²	82	43.1 Å²	43.1	44%	0.439	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-65.3	134.8	177.3	-63.8	-21.4	0	0	0	111.7	L344 H370	L344-N350 VanDerWaalsContact CD2-OD1 3.23Å; L344-N350 WeakPolarHBondContact CD2-OD1 3.29Å; N350-H370 VanDerWaalsContact CB-O 3.3Å; N350-H370 WeakPolarHBondContact CB-O 3.32Å; N350-H370 PolarHBondContact ND2-O 2.83Å
351	L	98.2	Very high	98	Very high	21 Å²	21	42.4 Å²	42.4	11%	0.11	27%	0.27	C	S	.	.			trans	-104.7	104.3	175.1	-71.7	178.6	0	0	0	110.8	V343 D345 A354 S367 G371 A388 Y391 L412	V343-L351 HydrophobicContact CB-CB 4.41Å; V343-L351 HydrophobicContact CG1-CB 4.15Å; V343-L351 HydrophobicContact CG1-CD1 4.22Å; V343-L351 PolarHBondContact O-N 2.02Å; D345-L351 HydrophobicContact CB-CD1 4.17Å; D345-L351 HydrophobicContact CB-CD2 4.09Å; D345-L351 HydrophobicContact CB-CG 4.12Å; L351-A354 HydrophobicContact CB-CB 4.46Å; L351-S367 PolarHBondContact O-OG 2.77Å; L351-G371 WeakPolarHBondContact O-CA 3.49Å; L351-A388 HydrophobicContact CD1-CB 4.44Å; L351-Y391 HydrophobicContact CD1-CD1 4.29Å; L351-Y391 HydrophobicContact CD1-CD2 4.33Å; L351-Y391 HydrophobicContact CD1-CE1 4.19Å; L351-Y391 HydrophobicContact CD1-CE2 4.2Å; L351-Y391 HydrophobicContact CD1-CG 4.39Å; L351-Y391 HydrophobicContact CD2-CE2 3.81Å; L351-L412 HydrophobicContact CD1-CB 4.19Å; L351-L412 HydrophobicContact CD1-CD1 4.06Å; L351-L412 HydrophobicContact CD1-CG 4.33Å
352	T	97.9	Very high	98	Very high	92 Å²	92	45.6 Å²	45.6	56%	0.564	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	140	173	-49.7	0	0	0	0	111.6	A354 G368 E369	T352-A354 PolarHBondContact O-N 3.41Å; T352-G368 WeakPolarHBondContact CA-O 3.28Å; T352-G368 WeakPolarHBondContact CG2-O 3.32Å; T352-E369 PolarHBondContact OG1-O 3.24Å
353	G	98.2	Very high	98	Very high	36 Å²	36	44.5 Å²	44.5	37%	0.371	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	17	173.9	0	0	0	0	0	114.6	S367	G353-S367 WeakPolarHBondContact CA-O 3.46Å; G353-S367 PolarHBondContact N-O 3.16Å; G353-S367 PolarHBondContact N-OG 2.96Å; G353-S367 VanDerWaalsContact N-OG 3.13Å
354	A	98.7	Very high	98	Very high	0 Å²	0	45 Å²	45	0%	0	29%	0.285	C	S	.	.			trans	-64.8	144.3	166.9	0	0	0	0	0	109	V343 L351 T352 T366 S367 K387 A388	V343-A354 HydrophobicContact CB-CB 3.93Å; V343-A354 HydrophobicContact CG1-CB 3.6Å; V343-A354 HydrophobicContact CG2-CB 4.08Å; L351-A354 HydrophobicContact CB-CB 4.46Å; T352-A354 PolarHBondContact O-N 3.41Å; A354-T366 CarbonylContact O-C 3.58Å; A354-T366 WeakPolarHBondContact O-CA 3.33Å; A354-S367 WeakPolarHBondContact CB-OG 3.48Å; A354-S367 PolarHBondContact N-OG 3.46Å; A354-S367 PolarHBondContact O-N 3.02Å; A354-K387 CarbonylContact C-O 3.57Å; A354-K387 WeakPolarHBondContact CA-O 3.41Å; A354-A388 HydrophobicContact CB-CB 4.03Å
355	V	98.9	Very high	98	Very high	20 Å²	20	43.5 Å²	43.5	12%	0.121	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.8	-176.7	-177.5	0	0	0	0	109.5	D364 V365 T366 A386 K387	V355-D364 HydrophobicContact CG1-CB 3.45Å; V355-D364 VanDerWaalsContact CG1-CB 3.45Å; V355-D364 WeakPolarHBondContact CG1-OD2 3.39Å; V355-V365 CarbonylContact C-O 3.58Å; V355-V365 WeakPolarHBondContact CA-O 3.5Å; V355-T366 HydrophobicContact CG2-CG2 4.34Å; V355-A386 CarbonylContact O-C 3.48Å; V355-A386 VanDerWaalsContact O-CA 3.32Å; V355-A386 WeakPolarHBondContact O-CA 3.42Å; V355-K387 HydrophobicContact CB-CD 4.29Å; V355-K387 VanDerWaalsContact CB-CE 3.41Å; V355-K387 HydrophobicContact CB-CG 3.76Å; V355-K387 HydrophobicContact CG1-CG 4.44Å; V355-K387 PolarHBondContact N-O 2.86Å; V355-K387 PolarHBondContact O-N 3.21Å
356	I	98.9	Very high	98.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	112.9	178.1	-56.6	86	0	0	0	107.8	V343 V365 Y373 V384 T385	V343-I356 HydrophobicContact CG2-CD1 4.21Å; V343-I356 HydrophobicContact CG2-CG1 4.39Å; I356-V365 HydrophobicContact CB-CG2 3.94Å; I356-V365 PolarHBondContact N-O 3.37Å; I356-V365 PolarHBondContact O-N 2.69Å; I356-Y373 HydrophobicContact CB-CD2 4.18Å; I356-Y373 HydrophobicContact CB-CE2 4.34Å; I356-Y373 HydrophobicContact CD1-CD1 4.04Å; I356-Y373 HydrophobicContact CD1-CD2 3.88Å; I356-Y373 HydrophobicContact CD1-CG 3.53Å; I356-Y373 HydrophobicContact CG1-CD1 4.02Å; I356-Y373 HydrophobicContact CG1-CD2 3.71Å; I356-Y373 HydrophobicContact CG1-CE1 4.3Å; I356-Y373 HydrophobicContact CG1-CE2 4.02Å; I356-Y373 HydrophobicContact CG1-CG 3.73Å; I356-Y373 HydrophobicContact CG2-CD2 4.16Å; I356-Y373 HydrophobicContact CG2-CE2 3.83Å; I356-V384 HydrophobicContact CG2-CG1 3.5Å; I356-T385 WeakPolarHBondContact CA-O 3.49Å
357	S	98.9	Very high	98.3	Very high	26 Å²	26	40.9 Å²	40.9	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	144.6	178.3	65.6	0	0	0	0	111.4	D364 V384 T385	S357-D364 VanDerWaalsContact CB-CG 3.47Å; S357-D364 WeakPolarHBondContact CB-OD1 3.44Å; S357-V384 CarbonylContact O-C 3.56Å; S357-V384 WeakPolarHBondContact O-CA 3.49Å; S357-T385 PolarHBondContact N-O 3.45Å; S357-T385 PolarHBondContact O-N 3.41Å; S357-T385 PolarHBondContact OG-O 3.22Å
358	V	98.9	Very high	98.4	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.03	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.3	178.1	-177	0	0	0	0	108.7	G360 I361 R375 L377 Y382 V384	V358-G360 PolarHBondContact O-N 3.1Å; V358-I361 HydrophobicContact CB-CB 4.32Å; V358-I361 HydrophobicContact CB-CD1 4.21Å; V358-I361 HydrophobicContact CB-CG1 4.49Å; V358-I361 HydrophobicContact CG1-CD1 3.88Å; V358-I361 HydrophobicContact CG1-CG1 4.29Å; V358-I361 PolarHBondContact O-N 2.84Å; V358-R375 HydrophobicContact CG2-CG 4.05Å; V358-L377 HydrophobicContact CG1-CD2 4.39Å; V358-L377 HydrophobicContact CG2-CD1 4.29Å; V358-L377 HydrophobicContact CG2-CD2 4.4Å; V358-Y382 HydrophobicContact CG1-CD1 3.55Å; V358-Y382 HydrophobicContact CG1-CE1 4.41Å; V358-Y382 HydrophobicContact CG1-CG 4.06Å; V358-V384 HydrophobicContact CG2-CG2 4.29Å
359	S	98.6	Very high	98.4	Very high	83 Å²	83	40.1 Å²	40.1	58%	0.58	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	129.2	179.5	-171.2	0	0	0	0	111	I383	S359-I383 WeakPolarHBondContact CB-O 3.24Å; S359-I383 PolarHBondContact N-O 3.07Å
360	G	98.1	Very high	98.4	Very high	82 Å²	82	39 Å²	39	85%	0.845	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.4	-8.4	-177.3	0	0	0	0	0	115.2	V358	V358-G360 PolarHBondContact O-N 3.1Å
361	I	98.7	Very high	98.4	Very high	28 Å²	28	35.1 Å²	35.1	14%	0.144	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	109.7	177.1	-54.8	177	0	0	0	108.9	P243 D244 V358 H363 R375 L377 Y382	P243-I361 HydrophobicContact CB-CG2 4.08Å; D244-I361 WeakPolarHBondContact OD1-CG2 3.35Å; V358-I361 HydrophobicContact CB-CB 4.32Å; V358-I361 HydrophobicContact CB-CD1 4.21Å; V358-I361 HydrophobicContact CB-CG1 4.49Å; V358-I361 HydrophobicContact CG1-CD1 3.88Å; V358-I361 HydrophobicContact CG1-CG1 4.29Å; V358-I361 PolarHBondContact O-N 2.84Å; I361-H363 HydrophobicContact CG2-CB 4.47Å; I361-H363 PolarHBondContact O-N 2.95Å; I361-R375 VanDerWaalsContact CG2-NH2 3.34Å; I361-L377 HydrophobicContact CD1-CD2 3.51Å; I361-Y382 HydrophobicContact CD1-CE1 4.36Å
362	N	98.5	Very high	98.5	Very high	68 Å²	68	34.1 Å²	34.1	36%	0.364	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	54.9	-178.1	-170	30.3	0	0	0	112.6	N180 P243	N180-N362 WeakPolarHBondContact CB-O 3.28Å; N180-N362 WeakPolarHBondContact CB-OD1 3.5Å; N180-N362 PolarHBondContact ND2-OD1 3.5Å; P243-N362 HydrophobicContact CB-CB 4.39Å; P243-N362 HydrophobicContact CG-CB 4.32Å; P243-N362 VanDerWaalsContact CG-O 3.28Å; P243-N362 WeakPolarHBondContact CG-O 3.45Å
363	H	98.8	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	108.8	174	-178.1	67.1	0	0	0	108.1	N180 P243 D244 Y294 I361 R375	N180-H363 PolarHBondContact ND2-N 3.04Å; N180-H363 PolarHBondContact O-ND1 2.88Å; P243-H363 HydrophobicContact CB-CB 4.06Å; P243-H363 HydrophobicContact CG-CB 4.19Å; D244-H363 IonicContact OD2-CD2 2.66Å; D244-H363 PolarHBondContact OD2-CD2 2.97Å; D244-H363 IonicContact OD2-CG 2.99Å; Y294-H363 AromaticContact CD2-NE2 3.59Å; Y294-H363 AromaticContact CE2-CD2 3.22Å; Y294-H363 WeakPolarHBondContact CE2-CD2 3.47Å; Y294-H363 AromaticContact CE2-CE1 3.8Å; Y294-H363 AromaticContact CE2-CG 3.83Å; Y294-H363 AromaticContact CE2-NE2 3.23Å; Y294-H363 WeakPolarHBondContact CE2-NE2 3.47Å; Y294-H363 AromaticContact CZ-CD2 3.39Å; Y294-H363 AromaticContact CZ-CE1 3.86Å; Y294-H363 AromaticContact CZ-CG 3.48Å; Y294-H363 VanDerWaalsContact CZ-CG 3.48Å; Y294-H363 AromaticContact CZ-ND1 3.77Å; Y294-H363 AromaticContact CZ-NE2 3.67Å; Y294-H363 PolarHBondContact O-CE1 2.64Å; Y294-H363 WeakPolarHBondContact OH-CB 3.48Å; Y294-H363 PolarHBondContact OH-CD2 3.23Å; Y294-H363 VanDerWaalsContact OH-CG 3.25Å; I361-H363 HydrophobicContact CG2-CB 4.47Å; I361-H363 PolarHBondContact O-N 2.95Å; H363-R375 PolarHBondContact O-NH1 3.17Å; H363-R375 PolarHBondContact O-NH2 3.09Å
364	D	98.8	Very high	98.6	Very high	11 Å²	11	28.7 Å²	28.7	6%	0.059	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	160.7	-179	-55	-10.6	0	0	0	111.1	N180 H181 V355 S357 K387	N180-D364 PolarHBondContact ND2-OD1 2.67Å; N180-D364 PolarHBondContact OD1-N 3.37Å; H181-D364 WeakPolarHBondContact CB-O 3.47Å; V355-D364 HydrophobicContact CG1-CB 3.45Å; V355-D364 VanDerWaalsContact CG1-CB 3.45Å; V355-D364 WeakPolarHBondContact CG1-OD2 3.39Å; S357-D364 VanDerWaalsContact CB-CG 3.47Å; S357-D364 WeakPolarHBondContact CB-OD1 3.44Å; D364-K387 IonicContact OD2-NZ 2.91Å; D364-K387 PolarHBondContact OD2-NZ 3.18Å
365	V	98.9	Very high	98.6	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	166.7	168.8	-71.5	0	0	0	0	111	N298 F300 V355 I356 Y373 R375	N298-V365 HydrophobicContact CB-CG1 4.39Å; N298-V365 VanDerWaalsContact OD1-CA 3.22Å; N298-V365 WeakPolarHBondContact OD1-CA 3.47Å; N298-V365 VanDerWaalsContact OD1-CB 3.24Å; N298-V365 WeakPolarHBondContact OD1-CB 3.41Å; F300-V365 HydrophobicContact CE2-CG1 4.46Å; V355-V365 CarbonylContact C-O 3.58Å; V355-V365 WeakPolarHBondContact CA-O 3.5Å; I356-V365 HydrophobicContact CB-CG2 3.94Å; I356-V365 PolarHBondContact N-O 3.37Å; I356-V365 PolarHBondContact O-N 2.69Å; V365-Y373 HydrophobicContact CG2-CD2 4.49Å; V365-R375 VanDerWaalsContact CG1-NH1 3.32Å; V365-R375 HydrophobicContact CG2-CB 4.03Å; V365-R375 HydrophobicContact CG2-CG 4.36Å
366	T	98.9	Very high	98.6	Very high	18 Å²	18	27.9 Å²	27.9	11%	0.11	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	151.6	178.9	61.1	0	0	0	0	112.6	H182 N298 A354 V355	H182-T366 PolarHBondContact CE1-OG1 3.06Å; H182-T366 PolarHBondContact NE2-OG1 2.79Å; N298-T366 PolarHBondContact ND2-O 3.44Å; N298-T366 VanDerWaalsContact ND2-O 3.13Å; N298-T366 PolarHBondContact ND2-OG1 2.89Å; N298-T366 PolarHBondContact OD1-N 3.06Å; N298-T366 PolarHBondContact OD1-OG1 3.06Å; A354-T366 CarbonylContact O-C 3.58Å; A354-T366 WeakPolarHBondContact O-CA 3.33Å; V355-T366 HydrophobicContact CG2-CG2 4.34Å
367	S	98.8	Very high	98.6	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.021	17%	0.173	C	C	.	.			trans	-73.7	142.3	166.9	58.4	0	0	0	0	111.5	L351 G353 A354 G371 D372	L351-S367 PolarHBondContact O-OG 2.77Å; G353-S367 WeakPolarHBondContact CA-O 3.46Å; G353-S367 PolarHBondContact N-O 3.16Å; G353-S367 PolarHBondContact N-OG 2.96Å; G353-S367 VanDerWaalsContact N-OG 3.13Å; A354-S367 WeakPolarHBondContact CB-OG 3.48Å; A354-S367 PolarHBondContact N-OG 3.46Å; A354-S367 PolarHBondContact O-N 3.02Å; S367-G371 WeakPolarHBondContact CB-O 3.44Å; S367-D372 CarbonylContact C-O 3.57Å; S367-D372 WeakPolarHBondContact CA-O 3.42Å; S367-D372 WeakPolarHBondContact CB-O 3.28Å
368	G	98.2	Very high	98.5	Very high	11 Å²	11	28.4 Å²	28.4	11%	0.113	17%	0.173	C	C	.	.			trans	-73.3	-173.2	177.7	0	0	0	0	0	113.4	T352 H370 G371 D372	T352-G368 WeakPolarHBondContact CA-O 3.28Å; T352-G368 WeakPolarHBondContact CG2-O 3.32Å; G368-H370 PolarHBondContact O-N 3.28Å; G368-G371 PolarHBondContact O-N 3.35Å; G368-D372 PolarHBondContact N-O 2.87Å
369	E	96.5	Very high	98.5	Very high	162 Å²	162	31.9 Å²	31.9	76%	0.757	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.8	-179.7	-65.4	-168.1	156.6	0	0	112.7	T352 G371	T352-E369 PolarHBondContact OG1-O 3.24Å; E369-G371 VanDerWaalsContact C-N 3.29Å; E369-G371 PolarHBondContact O-N 2.86Å
370	H	97.7	Very high	98.5	Very high	71 Å²	71	29.1 Å²	29.1	33%	0.329	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	5.3	178.3	-56.2	83.5	0	0	0	113	H72 P74 M342 N350 G368 D372	H72-H370 AromaticContact CD2-CE1 3.68Å; H72-H370 AromaticContact CD2-CG 3.91Å; H72-H370 AromaticContact CD2-ND1 3.22Å; H72-H370 PolarHBondContact CD2-ND1 3.48Å; H72-H370 AromaticContact NE2-ND1 3.99Å; P74-H370 HydrophobicContact CB-CB 4.48Å; P74-H370 HydrophobicContact CG-CB 4.06Å; M342-H370 WeakPolarHBondContact CE-O 3.26Å; N350-H370 VanDerWaalsContact CB-O 3.3Å; N350-H370 WeakPolarHBondContact CB-O 3.32Å; N350-H370 PolarHBondContact ND2-O 2.83Å; G368-H370 PolarHBondContact O-N 3.28Å; H370-D372 PolarHBondContact O-N 3.17Å
371	G	98.4	Very high	98.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	75.5	0.2	-179.9	0	0	0	0	0	114.5	V343 L351 S367 G368 E369	V343-G371 PolarHBondContact N-O 3.05Å; L351-G371 WeakPolarHBondContact O-CA 3.49Å; S367-G371 WeakPolarHBondContact CB-O 3.44Å; G368-G371 PolarHBondContact O-N 3.35Å; E369-G371 VanDerWaalsContact C-N 3.29Å; E369-G371 PolarHBondContact O-N 2.86Å
372	D	98.8	Very high	98.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	152.6	172.6	68.5	-49.4	0	0	0	111.5	H72 P74 L75 G341 M342 S367 G368 H370 F374	H72-D372 IonicContact CE1-OD2 3.19Å; H72-D372 IonicContact NE2-OD1 2.9Å; H72-D372 IonicContact NE2-OD2 2.76Å; H72-D372 PolarHBondContact NE2-OD2 3.15Å; P74-D372 HydrophobicContact CB-CB 4.48Å; L75-D372 HydrophobicContact CD2-CB 4.11Å; L75-D372 PolarHBondContact N-OD2 2.93Å; G341-D372 CarbonylContact O-C 3.55Å; G341-D372 VanDerWaalsContact O-CA 3.23Å; G341-D372 WeakPolarHBondContact O-CA 3.33Å; M342-D372 HydrophobicContact CE-CB 4.14Å; M342-D372 HydrophobicContact SD-CB 3.56Å; M342-D372 VanDerWaalsContact SD-CB 3.56Å; S367-D372 CarbonylContact C-O 3.57Å; S367-D372 WeakPolarHBondContact CA-O 3.42Å; S367-D372 WeakPolarHBondContact CB-O 3.28Å; G368-D372 PolarHBondContact N-O 2.87Å; H370-D372 PolarHBondContact O-N 3.17Å; D372-F374 WeakPolarHBondContact OD2-CE2 3.06Å; D372-F374 WeakPolarHBondContact OD2-CZ 3.43Å
373	Y	98.9	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	158.5	178	80	-85.3	0	0	0	111.1	I339 K340 G341 V343 I356 V365 R375 V408 F410	I339-Y373 HydrophobicContact CD1-CE2 4.05Å; I339-Y373 HydrophobicContact CG1-CE2 4.03Å; K340-Y373 WeakPolarHBondContact CA-O 3.48Å; K340-Y373 WeakPolarHBondContact CB-O 3.48Å; G341-Y373 PolarHBondContact N-O 2.96Å; G341-Y373 VanDerWaalsContact N-O 3.11Å; G341-Y373 WeakPolarHBondContact O-CD1 3.43Å; G341-Y373 PolarHBondContact O-N 3.42Å; V343-Y373 HydrophobicContact CG2-CD1 3.98Å; V343-Y373 HydrophobicContact CG2-CE1 4.43Å; I356-Y373 HydrophobicContact CB-CD2 4.18Å; I356-Y373 HydrophobicContact CB-CE2 4.34Å; I356-Y373 HydrophobicContact CD1-CD1 4.04Å; I356-Y373 HydrophobicContact CD1-CD2 3.88Å; I356-Y373 HydrophobicContact CD1-CG 3.53Å; I356-Y373 HydrophobicContact CG1-CD1 4.02Å; I356-Y373 HydrophobicContact CG1-CD2 3.71Å; I356-Y373 HydrophobicContact CG1-CE1 4.3Å; I356-Y373 HydrophobicContact CG1-CE2 4.02Å; I356-Y373 HydrophobicContact CG1-CG 3.73Å; I356-Y373 HydrophobicContact CG2-CD2 4.16Å; I356-Y373 HydrophobicContact CG2-CE2 3.83Å; V365-Y373 HydrophobicContact CG2-CD2 4.49Å; Y373-R375 HydrophobicContact CE2-CB 4.4Å; Y373-V408 WeakPolarHBondContact CE1-O 2.98Å; Y373-V408 WeakPolarHBondContact OH-CB 3.36Å; Y373-V408 PolarHBondContact OH-O 3.48Å; Y373-F410 HydrophobicContact CE1-CD2 4.06Å; Y373-F410 HydrophobicContact CE1-CE2 4.13Å; Y373-F410 AromaticContact CZ-CE2 3.97Å; Y373-F410 WeakPolarHBondContact OH-CE2 3.49Å
374	F	98.9	Very high	98.5	Very high	14 Å²	14	31.3 Å²	31.3	6%	0.061	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.1	177.3	-53	-92.6	0	0	0	108.8	E76 P77 V210 K340 D372	E76-F374 WeakPolarHBondContact O-CZ 3.4Å; P77-F374 HydrophobicContact CB-CD1 3.84Å; P77-F374 HydrophobicContact CB-CE1 3.66Å; P77-F374 HydrophobicContact CB-CG 4.43Å; P77-F374 HydrophobicContact CB-CZ 4.14Å; P77-F374 HydrophobicContact CG-CE1 4.22Å; V210-F374 HydrophobicContact CB-CB 4.41Å; V210-F374 HydrophobicContact CG1-CB 3.8Å; V210-F374 HydrophobicContact CG1-CG 4.49Å; V210-F374 HydrophobicContact CG2-CB 3.65Å; V210-F374 HydrophobicContact CG2-CD1 4.36Å; V210-F374 HydrophobicContact CG2-CD2 3.57Å; V210-F374 HydrophobicContact CG2-CE2 4.33Å; V210-F374 HydrophobicContact CG2-CG 3.6Å; K340-F374 HydrophobicContact CB-CD1 3.74Å; K340-F374 HydrophobicContact CB-CE1 4.19Å; K340-F374 HydrophobicContact CB-CG 4.49Å; K340-F374 HydrophobicContact CD-CD1 4.06Å; K340-F374 HydrophobicContact CD-CE1 3.88Å; D372-F374 WeakPolarHBondContact OD2-CE2 3.06Å; D372-F374 WeakPolarHBondContact OD2-CZ 3.43Å
375	R	98.8	Very high	98.5	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	103	174.4	-177.8	68.1	-164.2	-159.8	1	109.8	D244 G338 I339 V358 I361 H363 V365 Y373 L377	D244-R375 IonicContact OD1-CZ 3.47Å; D244-R375 IonicContact OD1-NH2 3.79Å; D244-R375 PolarHBondContact OD1-NH2 3.16Å; D244-R375 IonicContact OD2-CZ 3.8Å; D244-R375 IonicContact OD2-NH2 3.95Å; D244-R375 PolarHBondContact OD2-NH2 3.34Å; G338-R375 WeakPolarHBondContact CA-O 3.25Å; I339-R375 HydrophobicContact CD1-CB 4.21Å; I339-R375 HydrophobicContact CG1-CB 3.68Å; I339-R375 HydrophobicContact CG1-CG 4.37Å; I339-R375 PolarHBondContact N-O 3.39Å; I339-R375 PolarHBondContact O-N 3.11Å; V358-R375 HydrophobicContact CG2-CG 4.05Å; I361-R375 VanDerWaalsContact CG2-NH2 3.34Å; H363-R375 PolarHBondContact O-NH1 3.17Å; H363-R375 PolarHBondContact O-NH2 3.09Å; V365-R375 VanDerWaalsContact CG1-NH1 3.32Å; V365-R375 HydrophobicContact CG2-CB 4.03Å; V365-R375 HydrophobicContact CG2-CG 4.36Å; Y373-R375 HydrophobicContact CE2-CB 4.4Å; R375-L377 HydrophobicContact CG-CD1 4.21Å; R375-L377 HydrophobicContact CG-CD2 4.29Å; R375-L377 HydrophobicContact CG-CG 4.01Å; R375-L377 PolarHBondContact O-N 3.35Å
376	L	98.8	Very high	98.5	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	18%	0.178	C	C	.	.			trans	-62.5	128.9	172.3	-57.7	-178	0	0	0	109.1	V210 L211 L247 F300 V335 Q337	V210-L376 HydrophobicContact CG1-CD1 4.3Å; V210-L376 HydrophobicContact CG1-CD2 4.05Å; V210-L376 HydrophobicContact CG1-CG 4.02Å; L211-L376 HydrophobicContact CB-CD1 4.41Å; L211-L376 HydrophobicContact CD1-CD1 4.08Å; L247-L376 HydrophobicContact CD1-CB 4.28Å; L247-L376 HydrophobicContact CD2-CB 3.62Å; F300-L376 HydrophobicContact CB-CD1 4.26Å; F300-L376 HydrophobicContact CD2-CD1 4.41Å; F300-L376 HydrophobicContact CG-CD1 4.25Å; V335-L376 WeakPolarHBondContact O-CD2 3.07Å; Q337-L376 HydrophobicContact CG-CD2 4.03Å
377	L	98.8	Very high	98.5	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	19%	0.19	C	C	.	.			trans	-145.7	153.7	177.6	-66.8	170.7	0	0	0	108.2	Q337 I339 V358 I361 R375 Y382 V400	Q337-L377 PolarHBondContact NE2-O 3.33Å; I339-L377 HydrophobicContact CD1-CD1 4.32Å; I339-L377 HydrophobicContact CG1-CD1 4.29Å; I339-L377 HydrophobicContact CG2-CD1 4.39Å; V358-L377 HydrophobicContact CG1-CD2 4.39Å; V358-L377 HydrophobicContact CG2-CD1 4.29Å; V358-L377 HydrophobicContact CG2-CD2 4.4Å; I361-L377 HydrophobicContact CD1-CD2 3.51Å; R375-L377 HydrophobicContact CG-CD1 4.21Å; R375-L377 HydrophobicContact CG-CD2 4.29Å; R375-L377 HydrophobicContact CG-CG 4.01Å; R375-L377 PolarHBondContact O-N 3.35Å; L377-Y382 HydrophobicContact CB-CE2 4.08Å; L377-Y382 HydrophobicContact CD1-CD1 4.44Å; L377-Y382 HydrophobicContact CD1-CD2 3.91Å; L377-Y382 HydrophobicContact CD1-CE2 4.11Å; L377-Y382 HydrophobicContact CD1-CG 4.08Å; L377-Y382 HydrophobicContact CD2-CE1 4.22Å; L377-V400 HydrophobicContact CB-CG2 4.33Å; L377-V400 HydrophobicContact CD1-CG2 4.26Å
378	L	98.5	Very high	98.5	Very high	32 Å²	32	35.7 Å²	35.7	17%	0.168	19%	0.194	C	C	.	.			trans	-76.3	165.8	167.8	-63	-178.9	0	0	0	110.3	Q246 L247 T250 G380 Y382	Q246-L378 HydrophobicContact CB-CD1 3.81Å; L247-L378 HydrophobicContact CB-CG 4.49Å; L247-L378 HydrophobicContact CD1-CD2 4.07Å; L247-L378 HydrophobicContact CD1-CG 4.48Å; T250-L378 HydrophobicContact CG2-CD2 3.81Å; L378-G380 PolarHBondContact O-N 2.86Å; L378-Y382 WeakPolarHBondContact O-CE2 3.42Å; L378-Y382 PolarHBondContact O-OH 2.75Å
379	P	98.5	Very high	98.4	Very high	78 Å²	78	41 Å²	41	51%	0.506	23%	0.226	S	C	.	.	S	Bend	trans	-57.3	132.1	172.3	-26.1	36.5	0	0	0	111.8	V400 P402	P379-V400 WeakPolarHBondContact CA-O 3.39Å; P379-P402 HydrophobicContact CG-CB 4.2Å
380	G	98.1	Very high	98.4	Very high	26 Å²	26	35.9 Å²	35.9	27%	0.268	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	175.3	-174.3	0	0	0	0	0	113	L378 T399 V400	L378-G380 PolarHBondContact O-N 2.86Å; G380-T399 CarbonylContact O-C 3.18Å; G380-T399 WeakPolarHBondContact O-CA 3.38Å; G380-V400 PolarHBondContact N-O 2.95Å; G380-V400 PolarHBondContact O-N 3.31Å
381	T	98.3	Very high	98.4	Very high	94 Å²	94	34 Å²	34	58%	0.577	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.6	174.1	-61.2	0	0	0	0	109.5	T397 V398 T399	T381-T397 HydrophobicContact CG2-CG2 3.6Å; T381-V398 CarbonylContact C-O 3.46Å; T381-V398 WeakPolarHBondContact CA-O 3.33Å; T381-T399 PolarHBondContact OG1-OG1 3.14Å
382	Y	98.6	Very high	98.4	Very high	46 Å²	46	37.7 Å²	37.7	18%	0.18	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.6	-172.5	-61	-85.2	0	0	0	111.3	V358 I361 L377 L378 T397 V398 V400	V358-Y382 HydrophobicContact CG1-CD1 3.55Å; V358-Y382 HydrophobicContact CG1-CE1 4.41Å; V358-Y382 HydrophobicContact CG1-CG 4.06Å; I361-Y382 HydrophobicContact CD1-CE1 4.36Å; L377-Y382 HydrophobicContact CB-CE2 4.08Å; L377-Y382 HydrophobicContact CD1-CD1 4.44Å; L377-Y382 HydrophobicContact CD1-CD2 3.91Å; L377-Y382 HydrophobicContact CD1-CE2 4.11Å; L377-Y382 HydrophobicContact CD1-CG 4.08Å; L377-Y382 HydrophobicContact CD2-CE1 4.22Å; L378-Y382 WeakPolarHBondContact O-CE2 3.42Å; L378-Y382 PolarHBondContact O-OH 2.75Å; Y382-T397 CarbonylContact O-C 3.58Å; Y382-T397 WeakPolarHBondContact O-CA 3.3Å; Y382-V398 PolarHBondContact N-O 2.83Å; Y382-V398 PolarHBondContact O-N 3.43Å; Y382-V400 HydrophobicContact CD2-CG2 3.93Å; Y382-V400 HydrophobicContact CE2-CB 4.24Å; Y382-V400 HydrophobicContact CE2-CG2 4.01Å
383	I	98.8	Very high	98.3	Very high	84 Å²	84	41.8 Å²	41.8	43%	0.431	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.4	166.9	-60.7	172.7	0	0	0	106.8	S359 T395	S359-I383 WeakPolarHBondContact CB-O 3.24Å; S359-I383 PolarHBondContact N-O 3.07Å; I383-T395 HydrophobicContact CG2-CG2 3.34Å
384	V	98.9	Very high	98.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.8	-172.6	-174	0	0	0	0	109.2	I339 I356 S357 V358 T395 V396 V398 F410	I339-V384 HydrophobicContact CD1-CB 4.5Å; I339-V384 HydrophobicContact CD1-CG1 3.93Å; I339-V384 HydrophobicContact CD1-CG2 3.95Å; I356-V384 HydrophobicContact CG2-CG1 3.5Å; S357-V384 CarbonylContact O-C 3.56Å; S357-V384 WeakPolarHBondContact O-CA 3.49Å; V358-V384 HydrophobicContact CG2-CG2 4.29Å; V384-T395 CarbonylContact O-C 3.48Å; V384-T395 VanDerWaalsContact O-CA 3.3Å; V384-T395 WeakPolarHBondContact O-CA 3.25Å; V384-V396 HydrophobicContact CB-CG2 4.44Å; V384-V396 PolarHBondContact N-O 3.05Å; V384-V396 PolarHBondContact O-N 2.94Å; V384-V398 HydrophobicContact CG2-CG1 3.51Å; V384-F410 HydrophobicContact CB-CZ 4.18Å; V384-F410 HydrophobicContact CG1-CE2 4.27Å; V384-F410 HydrophobicContact CG1-CZ 3.74Å
385	T	98.9	Very high	98.3	Very high	29 Å²	29	49 Å²	49	18%	0.178	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.6	-179.7	-57.1	0	0	0	0	110.4	I356 S357 P393 K394 T395	I356-T385 WeakPolarHBondContact CA-O 3.49Å; S357-T385 PolarHBondContact N-O 3.45Å; S357-T385 PolarHBondContact O-N 3.41Å; S357-T385 PolarHBondContact OG-O 3.22Å; T385-P393 HydrophobicContact CG2-CB 3.95Å; T385-K394 CarbonylContact C-O 3.46Å; T385-K394 VanDerWaalsContact CA-O 3.31Å; T385-K394 WeakPolarHBondContact CA-O 3.39Å; T385-T395 WeakPolarHBondContact CG2-OG1 3.3Å; T385-T395 WeakPolarHBondContact OG1-CG2 3.44Å; T385-T395 PolarHBondContact OG1-OG1 3.06Å
386	A	98.9	Very high	98.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	135.8	166.9	0	0	0	0	0	110.2	V355 P393 K394 F410 L412	V355-A386 CarbonylContact O-C 3.48Å; V355-A386 VanDerWaalsContact O-CA 3.32Å; V355-A386 WeakPolarHBondContact O-CA 3.42Å; A386-P393 WeakPolarHBondContact O-CA 3.45Å; A386-K394 PolarHBondContact N-O 3.25Å; A386-K394 PolarHBondContact O-N 3.01Å; A386-F410 HydrophobicContact CB-CB 3.67Å; A386-F410 HydrophobicContact CB-CD1 3.46Å; A386-F410 VanDerWaalsContact CB-CD1 3.46Å; A386-F410 HydrophobicContact CB-CD2 3.68Å; A386-F410 HydrophobicContact CB-CE1 3.94Å; A386-F410 HydrophobicContact CB-CE2 4.13Å; A386-F410 HydrophobicContact CB-CG 3.31Å; A386-F410 HydrophobicContact CB-CZ 4.26Å; A386-L412 HydrophobicContact CB-CD2 4.22Å
387	K	98.4	Very high	98.3	Very high	82 Å²	82	55.6 Å²	55.6	36%	0.357	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143.7	177	65	-171.9	174.3	-163.7	0	109.9	A354 V355 D364 P393	A354-K387 CarbonylContact C-O 3.57Å; A354-K387 WeakPolarHBondContact CA-O 3.41Å; V355-K387 HydrophobicContact CB-CD 4.29Å; V355-K387 VanDerWaalsContact CB-CE 3.41Å; V355-K387 HydrophobicContact CB-CG 3.76Å; V355-K387 HydrophobicContact CG1-CG 4.44Å; V355-K387 PolarHBondContact N-O 2.86Å; V355-K387 PolarHBondContact O-N 3.21Å; D364-K387 IonicContact OD2-NZ 2.91Å; D364-K387 PolarHBondContact OD2-NZ 3.18Å; K387-P393 HydrophobicContact CB-CB 4.32Å; K387-P393 HydrophobicContact CB-CG 4.33Å
388	A	98.2	Very high	98.2	Very high	13 Å²	13	56 Å²	56	11%	0.107	34%	0.335	C	S	.	.			trans	-141.6	147	172.9	0	0	0	0	0	109.7	L351 A354 G390 Y391 L412	L351-A388 HydrophobicContact CD1-CB 4.44Å; A354-A388 HydrophobicContact CB-CB 4.03Å; A388-G390 PolarHBondContact O-N 2.96Å; A388-Y391 HydrophobicContact CB-CD2 3.89Å; A388-Y391 HydrophobicContact CB-CG 4.39Å; A388-Y391 PolarHBondContact O-N 3.44Å; A388-L412 HydrophobicContact CB-CD1 3.81Å
389	P	96.6	Very high	98.2	Very high	123 Å²	123	59.1 Å²	59.1	80%	0.799	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	125.1	177.1	-26	35	0	0	0	112.2	Y391	P389-Y391 WeakPolarHBondContact O-CD2 3.43Å
390	G	96.3	Very high	98.2	Very high	54 Å²	54	55.6 Å²	55.6	56%	0.557	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	4.2	-178.7	0	0	0	0	0	115.5	A388 R414 S415	A388-G390 PolarHBondContact O-N 2.96Å; G390-R414 WeakPolarHBondContact O-CA 3.26Å; G390-S415 PolarHBondContact O-N 2.89Å
391	Y	98.1	Very high	98	Very high	33 Å²	33	56 Å²	56	13%	0.129	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-122.1	148	177.8	-65	-95.2	0	0	0	111.8	D345 E346 L351 A388 P389 L412 N413 R414 S415	D345-Y391 HydrophobicContact CB-CE1 3.75Å; E346-Y391 WeakPolarHBondContact OE2-CE1 3.37Å; L351-Y391 HydrophobicContact CD1-CD1 4.29Å; L351-Y391 HydrophobicContact CD1-CD2 4.33Å; L351-Y391 HydrophobicContact CD1-CE1 4.19Å; L351-Y391 HydrophobicContact CD1-CE2 4.2Å; L351-Y391 HydrophobicContact CD1-CG 4.39Å; L351-Y391 HydrophobicContact CD2-CE2 3.81Å; A388-Y391 HydrophobicContact CB-CD2 3.89Å; A388-Y391 HydrophobicContact CB-CG 4.39Å; A388-Y391 PolarHBondContact O-N 3.44Å; P389-Y391 WeakPolarHBondContact O-CD2 3.43Å; Y391-L412 HydrophobicContact CD1-CB 3.88Å; Y391-L412 HydrophobicContact CG-CB 4.11Å; Y391-N413 CarbonylContact C-O 3.57Å; Y391-N413 WeakPolarHBondContact CA-O 3.41Å; Y391-R414 HydrophobicContact CD1-CG 4.23Å; Y391-R414 HydrophobicContact CE1-CG 3.8Å; Y391-S415 PolarHBondContact O-OG 3.16Å
392	D	97.8	Very high	97.6	Very high	77 Å²	77	57.4 Å²	57.4	41%	0.412	35%	0.347	S	S	.	.			trans	-72.4	132.4	173.6	-68.4	-26.1	0	0	0	110	N413 S415	D392-N413 PolarHBondContact N-O 3Å; D392-S415 PolarHBondContact N-OG 3.24Å; D392-S415 WeakPolarHBondContact OD1-CA 3.44Å; D392-S415 VanDerWaalsContact OD1-CB 3.26Å; D392-S415 WeakPolarHBondContact OD1-CB 3.43Å; D392-S415 PolarHBondContact OD1-OG 3.21Å
393	P	98.2	Very high	97	Very high	86 Å²	86	59.8 Å²	59.8	56%	0.558	38%	0.377	S	S	*	.			trans	-61.9	145.8	179.3	-21.9	32.4	0	0	0	112.4	T385 A386 K387	T385-P393 HydrophobicContact CG2-CB 3.95Å; A386-P393 WeakPolarHBondContact O-CA 3.45Å; K387-P393 HydrophobicContact CB-CB 4.32Å; K387-P393 HydrophobicContact CB-CG 4.33Å
394	K	98.6	Very high	96.4	Very high	82 Å²	82	57.5 Å²	57.5	36%	0.357	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.9	174.6	-174.8	170	-175.7	175.6	0	110.6	T385 A386 F410 Q411 L412	T385-K394 CarbonylContact C-O 3.46Å; T385-K394 VanDerWaalsContact CA-O 3.31Å; T385-K394 WeakPolarHBondContact CA-O 3.39Å; A386-K394 PolarHBondContact N-O 3.25Å; A386-K394 PolarHBondContact O-N 3.01Å; K394-F410 HydrophobicContact CB-CD1 4.18Å; K394-F410 HydrophobicContact CD-CD1 4.47Å; K394-F410 HydrophobicContact CG-CD1 4.21Å; K394-F410 WeakPolarHBondContact O-CE1 3.47Å; K394-Q411 WeakPolarHBondContact CD-O 3.34Å; K394-Q411 PolarHBondContact NZ-O 3.02Å; K394-L412 HydrophobicContact CB-CD2 3.52Å
395	T	98.8	Very high	96.2	Very high	82 Å²	82	59.3 Å²	59.3	50%	0.503	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137	-179.7	-56	0	0	0	0	110.6	I383 V384 T385	I383-T395 HydrophobicContact CG2-CG2 3.34Å; V384-T395 CarbonylContact O-C 3.48Å; V384-T395 VanDerWaalsContact O-CA 3.3Å; V384-T395 WeakPolarHBondContact O-CA 3.25Å; T385-T395 WeakPolarHBondContact CG2-OG1 3.3Å; T385-T395 WeakPolarHBondContact OG1-CG2 3.44Å; T385-T395 PolarHBondContact OG1-OG1 3.06Å
396	V	98.6	Very high	96.2	Very high	41 Å²	41	59.1 Å²	59.1	25%	0.248	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.1	175.8	-57.9	0	0	0	0	110.3	V384 V408 F410	V384-V396 HydrophobicContact CB-CG2 4.44Å; V384-V396 PolarHBondContact N-O 3.05Å; V384-V396 PolarHBondContact O-N 2.94Å; V396-V408 HydrophobicContact CG2-CG1 3.74Å; V396-F410 HydrophobicContact CB-CE1 4.43Å; V396-F410 HydrophobicContact CG1-CE1 4.08Å; V396-F410 HydrophobicContact CG2-CE1 3.64Å; V396-F410 HydrophobicContact CG2-CZ 3.64Å
397	T	98.6	Very high	96.2	Very high	102 Å²	102	64.2 Å²	64.2	63%	0.626	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.8	168.2	-56.6	0	0	0	0	108.6	T381 Y382	T381-T397 HydrophobicContact CG2-CG2 3.6Å; Y382-T397 CarbonylContact O-C 3.58Å; Y382-T397 WeakPolarHBondContact O-CA 3.3Å
398	V	97.8	Very high	96.2	Very high	13 Å²	13	61 Å²	61	8%	0.079	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.8	179.5	60.3	0	0	0	0	110.7	I339 T381 Y382 V384 A406 V408	I339-V398 HydrophobicContact CG2-CG1 4.13Å; I339-V398 HydrophobicContact CG2-CG2 3.93Å; T381-V398 CarbonylContact C-O 3.46Å; T381-V398 WeakPolarHBondContact CA-O 3.33Å; Y382-V398 PolarHBondContact N-O 2.83Å; Y382-V398 PolarHBondContact O-N 3.43Å; V384-V398 HydrophobicContact CG2-CG1 3.51Å; V398-A406 HydrophobicContact CG2-CB 3.96Å; V398-V408 HydrophobicContact CB-CG2 4.06Å; V398-V408 HydrophobicContact CG2-CG2 3.52Å
399	T	97.7	Very high	96.2	Very high	96 Å²	96	64.3 Å²	64.3	59%	0.589	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.9	169.1	-58	0	0	0	0	109.7	G380 T381	G380-T399 CarbonylContact O-C 3.18Å; G380-T399 WeakPolarHBondContact O-CA 3.38Å; T381-T399 PolarHBondContact OG1-OG1 3.14Å
400	V	97.5	Very high	96.3	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.024	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.9	173.4	178.3	0	0	0	0	108.6	I339 L377 P379 G380 Y382	I339-V400 HydrophobicContact CG2-CG2 3.58Å; L377-V400 HydrophobicContact CB-CG2 4.33Å; L377-V400 HydrophobicContact CD1-CG2 4.26Å; P379-V400 WeakPolarHBondContact CA-O 3.39Å; G380-V400 PolarHBondContact N-O 2.95Å; G380-V400 PolarHBondContact O-N 3.31Å; Y382-V400 HydrophobicContact CD2-CG2 3.93Å; Y382-V400 HydrophobicContact CE2-CB 4.24Å; Y382-V400 HydrophobicContact CE2-CG2 4.01Å
401	G	94.6	Very high	96.4	Very high	36 Å²	36	59.7 Å²	59.7	37%	0.371	37%	0.37	S	S	.	.			trans	-92.7	176.3	175.4	0	0	0	0	0	113.1	A403	G401-A403 VanDerWaalsContact C-N 3.32Å; G401-A403 PolarHBondContact O-N 3.31Å
402	P	89.1	Confident	96.4	Very high	122 Å²	122	58.2 Å²	58.2	79%	0.792	37%	0.365	S	S	*	.	S	Bend	trans	-82.4	-2.2	-179.8	34.3	-37.2	0	0	0	114.9	P379	P379-P402 HydrophobicContact CG-CB 4.2Å
403	A	85.9	Confident	96.3	Very high	96 Å²	96	59.1 Å²	59.1	79%	0.793	37%	0.369	S	S	*	.	S	Bend	trans	-95.4	-84.4	-172.7	0	0	0	0	0	112.3	G401	G401-A403 VanDerWaalsContact C-N 3.32Å; G401-A403 PolarHBondContact O-N 3.31Å
404	G	87.6	Confident	96.1	Very high	37 Å²	37	62.8 Å²	62.8	38%	0.381	37%	0.372	S	S	.	.	S	Bend	trans	-123.1	176.8	-179.8	0	0	0	0	0	112.1
405	P	95.3	Very high	95.8	Very high	37 Å²	37	60.8 Å²	60.8	24%	0.24	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-71	140.8	-176.4	31.1	-33	0	0	0	110.9	H336 G338 K340	H336-P405 WeakPolarHBondContact O-CD 3.46Å; G338-P405 CarbonylContact O-C 3.58Å; G338-P405 VanDerWaalsContact O-CA 3.23Å; G338-P405 WeakPolarHBondContact O-CA 3.45Å; K340-P405 HydrophobicContact CD-CB 4.47Å; K340-P405 HydrophobicContact CD-CG 3.99Å; K340-P405 HydrophobicContact CG-CB 4.19Å; K340-P405 HydrophobicContact CG-CG 4.17Å
406	A	97.6	Very high	94.8	Very high	25 Å²	25	63 Å²	63	21%	0.207	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	131.9	171.1	0	0	0	0	0	110.1	G338 I339 K340 V398 V408	G338-A406 PolarHBondContact O-N 3.06Å; I339-A406 VanDerWaalsContact CA-O 3.29Å; I339-A406 WeakPolarHBondContact CA-O 3.33Å; I339-A406 HydrophobicContact CG2-CB 4.2Å; K340-A406 PolarHBondContact N-O 2.77Å; V398-A406 HydrophobicContact CG2-CB 3.96Å; A406-V408 PolarHBondContact O-N 2.96Å
407	L	98.3	Very high	93	Very high	107 Å²	107	66 Å²	66	56%	0.56	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	117.8	177	-170.5	70.1	0	0	0	110.2	L75 K340	L75-L407 HydrophobicContact CD1-CD1 3.84Å; L75-L407 HydrophobicContact CD2-CD1 4.25Å; K340-L407 HydrophobicContact CG-CD1 4.4Å; K340-L407 CarbonylContact O-C 3.59Å; K340-L407 VanDerWaalsContact O-CA 3.31Å; K340-L407 WeakPolarHBondContact O-CA 3.36Å
408	V	98.5	Very high	90.5	Very high	16 Å²	16	68.6 Å²	68.6	10%	0.097	41%	0.41	C	S	.	.			trans	-132.5	106.8	-177.4	-177.3	0	0	0	0	110.1	I339 K340 G341 Y373 V396 V398 A406 F410	I339-V408 HydrophobicContact CB-CG2 4.39Å; I339-V408 HydrophobicContact CG2-CG2 4.34Å; K340-V408 PolarHBondContact O-N 2.86Å; G341-V408 WeakPolarHBondContact CA-O 3.39Å; Y373-V408 WeakPolarHBondContact CE1-O 2.98Å; Y373-V408 WeakPolarHBondContact OH-CB 3.36Å; Y373-V408 PolarHBondContact OH-O 3.48Å; V396-V408 HydrophobicContact CG2-CG1 3.74Å; V398-V408 HydrophobicContact CB-CG2 4.06Å; V398-V408 HydrophobicContact CG2-CG2 3.52Å; A406-V408 PolarHBondContact O-N 2.96Å; V408-F410 HydrophobicContact CG1-CD2 4.46Å; V408-F410 HydrophobicContact CG1-CE2 3.75Å; V408-F410 HydrophobicContact CG1-CZ 3.87Å
409	N	98.6	Very high	87.8	Confident	82 Å²	82	74.2 Å²	74.2	44%	0.439	44%	0.444	S	S	.	.			trans	-96.9	142	177.4	-61.4	-29.9	0	0	0	111.1	G341 M342	G341-N409 WeakPolarHBondContact CA-OD1 3.46Å; M342-N409 PolarHBondContact N-OD1 2.89Å; M342-N409 CarbonylContact O-C 3.55Å; M342-N409 VanDerWaalsContact O-CA 3.3Å; M342-N409 WeakPolarHBondContact O-CA 3.48Å
410	F	98.7	Very high	85	Confident	1 Å²	1	76.8 Å²	76.8	0%	0.004	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132	173.1	-65.8	-89.5	0	0	0	109.6	M342 V343 L344 Y373 V384 A386 K394 V396 V408 L412	M342-F410 PolarHBondContact O-N 2.78Å; V343-F410 CarbonylContact C-O 3.16Å; V343-F410 WeakPolarHBondContact CA-O 3.3Å; V343-F410 HydrophobicContact CG1-CB 4.21Å; V343-F410 HydrophobicContact CG2-CB 4.46Å; L344-F410 PolarHBondContact N-O 3.25Å; Y373-F410 HydrophobicContact CE1-CD2 4.06Å; Y373-F410 HydrophobicContact CE1-CE2 4.13Å; Y373-F410 AromaticContact CZ-CE2 3.97Å; Y373-F410 WeakPolarHBondContact OH-CE2 3.49Å; V384-F410 HydrophobicContact CB-CZ 4.18Å; V384-F410 HydrophobicContact CG1-CE2 4.27Å; V384-F410 HydrophobicContact CG1-CZ 3.74Å; A386-F410 HydrophobicContact CB-CB 3.67Å; A386-F410 HydrophobicContact CB-CD1 3.46Å; A386-F410 VanDerWaalsContact CB-CD1 3.46Å; A386-F410 HydrophobicContact CB-CD2 3.68Å; A386-F410 HydrophobicContact CB-CE1 3.94Å; A386-F410 HydrophobicContact CB-CE2 4.13Å; A386-F410 HydrophobicContact CB-CG 3.31Å; A386-F410 HydrophobicContact CB-CZ 4.26Å; K394-F410 HydrophobicContact CB-CD1 4.18Å; K394-F410 HydrophobicContact CD-CD1 4.47Å; K394-F410 HydrophobicContact CG-CD1 4.21Å; K394-F410 WeakPolarHBondContact O-CE1 3.47Å; V396-F410 HydrophobicContact CB-CE1 4.43Å; V396-F410 HydrophobicContact CG1-CE1 4.08Å; V396-F410 HydrophobicContact CG2-CE1 3.64Å; V396-F410 HydrophobicContact CG2-CZ 3.64Å; V408-F410 HydrophobicContact CG1-CD2 4.46Å; V408-F410 HydrophobicContact CG1-CE2 3.75Å; V408-F410 HydrophobicContact CG1-CZ 3.87Å; F410-L412 HydrophobicContact CB-CD2 4.33Å
411	Q	98.3	Very high	82.1	Confident	79 Å²	79	81.7 Å²	81.7	37%	0.369	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	114.1	168.5	-171.5	173.6	20.4	0	0	107.2	L344 D345 E346 K394	L344-Q411 CarbonylContact O-C 3.51Å; L344-Q411 WeakPolarHBondContact O-CA 3.49Å; D345-Q411 WeakPolarHBondContact O-CG 3.01Å; D345-Q411 PolarHBondContact O-NE2 3.29Å; E346-Q411 PolarHBondContact O-NE2 3.27Å; K394-Q411 WeakPolarHBondContact CD-O 3.34Å; K394-Q411 PolarHBondContact NZ-O 3.02Å
412	L	98.2	Very high	79.6	Confident	1 Å²	1	84.5 Å²	84.5	1%	0.005	50%	0.501	C	S	.	.			trans	-100.8	142.9	-176.1	-52.8	-174.6	0	0	0	109.9	V343 L344 D345 E346 L351 A386 A388 Y391 K394 F410	V343-L412 HydrophobicContact CG1-CD1 3.81Å; V343-L412 HydrophobicContact CG1-CG 4.03Å; L344-L412 PolarHBondContact O-N 3.39Å; D345-L412 CarbonylContact C-O 3.39Å; E346-L412 PolarHBondContact N-O 3Å; E346-L412 VanDerWaalsContact N-O 3.08Å; L351-L412 HydrophobicContact CD1-CB 4.19Å; L351-L412 HydrophobicContact CD1-CD1 4.06Å; L351-L412 HydrophobicContact CD1-CG 4.33Å; A386-L412 HydrophobicContact CB-CD2 4.22Å; A388-L412 HydrophobicContact CB-CD1 3.81Å; Y391-L412 HydrophobicContact CD1-CB 3.88Å; Y391-L412 HydrophobicContact CG-CB 4.11Å; K394-L412 HydrophobicContact CB-CD2 3.52Å; F410-L412 HydrophobicContact CB-CD2 4.33Å
413	N	96.8	Very high	77.3	Confident	96 Å²	96	87.9 Å²	87.9	51%	0.513	51%	0.506	S	S	.	.			trans	-104.4	141.3	176.2	-62.7	-39.7	0	0	0	109.4	Y391 D392 S415	Y391-N413 CarbonylContact C-O 3.57Å; Y391-N413 WeakPolarHBondContact CA-O 3.41Å; D392-N413 PolarHBondContact N-O 3Å; N413-S415 PolarHBondContact O-N 3.22Å
414	R	94	Very high	75	Confident	163 Å²	163	93 Å²	93	62%	0.615	51%	0.51	S	S	*	.	B	Isolated β-bridge	trans	-52.1	133	172.1	-84	-176.2	-179.2	-145.1	1.4	112.2	E346 G390 Y391 T416	E346-R414 WeakPolarHBondContact OE1-CD 3.5Å; E346-R414 VanDerWaalsContact OE1-CG 3.27Å; E346-R414 WeakPolarHBondContact OE1-CG 3.38Å; E346-R414 IonicContact OE1-NE 3.73Å; E346-R414 PolarHBondContact OE2-N 3.12Å; G390-R414 WeakPolarHBondContact O-CA 3.26Å; Y391-R414 HydrophobicContact CD1-CG 4.23Å; Y391-R414 HydrophobicContact CE1-CG 3.8Å; R414-T416 PolarHBondContact O-N 3.35Å
415	S	90.4	Very high	72.9	Confident	41 Å²	41	95.4 Å²	95.4	29%	0.287	53%	0.527	S	S	.	.			trans	-63.5	122.2	172.9	-63.2	0	0	0	0	109.6	G390 Y391 D392 N413 S417	G390-S415 PolarHBondContact O-N 2.89Å; Y391-S415 PolarHBondContact O-OG 3.16Å; D392-S415 PolarHBondContact N-OG 3.24Å; D392-S415 WeakPolarHBondContact OD1-CA 3.44Å; D392-S415 VanDerWaalsContact OD1-CB 3.26Å; D392-S415 WeakPolarHBondContact OD1-CB 3.43Å; D392-S415 PolarHBondContact OD1-OG 3.21Å; N413-S415 PolarHBondContact O-N 3.22Å; S415-S417 VanDerWaalsContact C-N 3.3Å; S415-S417 PolarHBondContact O-N 3.01Å
416	T	79.6	Confident	70.1	Confident	129 Å²	129	99.8 Å²	99.8	79%	0.791	56%	0.555	S	S	*	*			trans	-71.6	91.3	169.2	50.3	0	0	0	0	108.4	R414 Q418	R414-T416 PolarHBondContact O-N 3.35Å; T416-Q418 PolarHBondContact O-N 3.03Å
417	S	60.4	Low	67.3	Low	104 Å²	104	102.2 Å²	102.2	73%	0.727	58%	0.583	S	S	*	*			trans	-61.9	107.5	165.7	-63.2	0	0	0	0	107	S415 V419	S415-S417 VanDerWaalsContact C-N 3.3Å; S415-S417 PolarHBondContact O-N 3.01Å; S417-V419 VanDerWaalsContact C-N 3.3Å; S417-V419 PolarHBondContact O-N 2.8Å
418	Q	46.2	Very low	64.3	Low	155 Å²	155	109.4 Å²	109.4	72%	0.724	60%	0.602	S	S	*	*			trans	-57	102.1	163.5	-74.9	-166.5	-0.9	0	0	106.8	T416 H420	T416-Q418 PolarHBondContact O-N 3.03Å; Q418-H420 PolarHBondContact O-N 2.86Å; Q418-H420 PolarHBondContact OE1-CE1 2.81Å
419	V	39.9	Very low	61.2	Low	131 Å²	131	112 Å²	112	79%	0.794	63%	0.633	S	S	*	*			trans	-63.1	90.7	158.9	-179.6	0	0	0	0	104.7	S417 P421	S417-V419 VanDerWaalsContact C-N 3.3Å; S417-V419 PolarHBondContact O-N 2.8Å; V419-P421 WeakPolarHBondContact O-CD 3.33Å; V419-P421 VanDerWaalsContact O-N 3.09Å
420	H	39	Very low	58.2	Low	150 Å²	150	117.9 Å²	117.9	69%	0.694	66%	0.658	S	S	*	*			trans	-57.5	117	162.4	-82.3	-45.6	0	0	0	105.9	Q418 A422	Q418-H420 PolarHBondContact O-N 2.86Å; Q418-H420 PolarHBondContact OE1-CE1 2.81Å; H420-A422 PolarHBondContact O-N 3Å
421	P	37.5	Very low	55.1	Low	108 Å²	108	121.1 Å²	121.1	70%	0.701	69%	0.691	S	S	*	*			trans	-58.7	122.4	173	-14.9	28.1	0	0	0	105.8	V419 Q423	V419-P421 WeakPolarHBondContact O-CD 3.33Å; V419-P421 VanDerWaalsContact O-N 3.09Å; P421-Q423 PolarHBondContact O-N 2.92Å
422	A	41.9	Very low	52	Low	95 Å²	95	123.5 Å²	123.5	79%	0.785	72%	0.716	S	S	*	*			trans	-48.3	113.7	169.1	0	0	0	0	0	107.2	H420 K424	H420-A422 PolarHBondContact O-N 3Å; A422-K424 PolarHBondContact O-N 2.91Å
423	Q	39.9	Very low	49	Very low	192 Å²	192	134.7 Å²	134.7	90%	0.897	76%	0.759	S	S	*	*			trans	-56.6	107	173.8	-84	-178.2	-21.6	0	0	106.6	P421 A425	P421-Q423 PolarHBondContact O-N 2.92Å; Q423-A425 PolarHBondContact O-N 2.87Å; Q423-A425 VanDerWaalsContact O-N 3.1Å
424	K	38.9	Very low	46.6	Very low	203 Å²	203	135.3 Å²	135.3	88%	0.883	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-55.1	118	168.1	-82	-179.5	174.7	177.1	0	106.9	A422	A422-K424 PolarHBondContact O-N 2.91Å
425	A	42	Very low	43.6	Very low	89 Å²	89	136.9 Å²	136.9	74%	0.736	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-51.9	135	169.4	0	0	0	0	0	109.2	Q423 G427	Q423-A425 PolarHBondContact O-N 2.87Å; Q423-A425 VanDerWaalsContact O-N 3.1Å; A425-G427 PolarHBondContact O-N 3.29Å
426	P	38.1	Very low	40.9	Very low	128 Å²	128	143.3 Å²	143.3	83%	0.831	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-67.5	131.7	179.9	13.3	-9.5	0	0	0	110
427	G	37.5	Very low	39	Very low	76 Å²	76	143.1 Å²	143.1	78%	0.784	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-58.3	136.6	-178	0	0	0	0	0	112.8	A425 G429	A425-G427 PolarHBondContact O-N 3.29Å; G427-G429 PolarHBondContact O-N 3.28Å
428	R	35	Very low	37.7	Very low	258 Å²	258	148.3 Å²	148.3	97%	0.974	81%	0.81	S	S	*	*			trans	-72.1	102.7	168.8	-88.4	-179.8	169.4	177.6	-2.5	109.9
429	G	33.4	Very low	37.2	Very low	72 Å²	72	147.2 Å²	147.2	74%	0.742	81%	0.807	S	S	*	*			trans	-78.8	154.6	158.3	0	0	0	0	0	112.1	G427	G427-G429 PolarHBondContact O-N 3.28Å
430	Q	36.2	Very low	36.8	Very low	205 Å²	205	147.7 Å²	147.7	96%	0.958	81%	0.81	S	S	*	*			trans	-62.7	157.1	-167.9	-64.6	165.4	-23.2	0	0	116.5
431	G	34	Very low	36.7	Very low	68 Å²	68	152 Å²	152	70%	0.701	82%	0.821	S	S	*	*			trans	137.7	108.6	136	0	0	0	0	0	120.1
432	S	31.9	Very low	36.6	Very low	129 Å²	129	157 Å²	157	90%	0.902	83%	0.831	S	S	*	*			trans	85.5	123.3	142.3	68.1	0	0	0	0	123.3
433	R	36.7	Very low	36.3	Very low	236 Å²	236	161 Å²	161	89%	0.891	83%	0.831	S	S	*	*			trans	-69.6	176.6	163.6	-82.1	177.3	169.4	177.4	-2.4	111.6
434	P	45.4	Very low	36.1	Very low	110 Å²	110	157.5 Å²	157.5	71%	0.714	82%	0.818	S	S	*	*			cis	-142	-178.8	23.3	28	0.4	0	0	0	114.3
435	K	31.1	Very low	35.8	Very low	196 Å²	196	155 Å²	155	85%	0.852	82%	0.821	S	S	*	*				-176.9	158	64.7	-82.9	-177.1	174.9	174.2	0	111.4
436	Q	34.7	Very low	35.7	Very low	175 Å²	175	155.1 Å²	155.1	82%	0.818	82%	0.821	S	S	*	*			trans	-72.1	165.6	173.5	-71.8	177.9	-29.1	0	0	114.7
437	P	39.5	Very low	35.5	Very low	125 Å²	125	155.5 Å²	155.5	81%	0.812	82%	0.821	S	S	*	*				-139.9	136.8	92.6	25	-4.1	0	0	0	114
438	R	32.7	Very low	35.5	Very low	214 Å²	214	161 Å²	161	81%	0.808	82%	0.824	S	S	*	*				85.2	104.5	81.9	-105.7	-162.6	173.3	175.5	-1.3	117.7
439	I	35.9	Very low	35.8	Very low	132 Å²	132	160 Å²	160	68%	0.677	82%	0.82	S	S	*	*			trans	60.3	123	130.2	-54.5	169.7	0	0	0	119.3
440	T	31	Very low	35.9	Very low	140 Å²	140	166.1 Å²	166.1	86%	0.859	83%	0.829	S	S	*	*				-168.6	146.7	93.1	22.3	0	0	0	0	114.1
441	R	38.2	Very low	36.4	Very low	242 Å²	242	168.2 Å²	168.2	91%	0.913	83%	0.828	S	S	*	*			trans	-74.9	153	177.5	-83.5	171.5	160.5	172.4	-5.2	113.5
442	K	34.3	Very low	36.5	Very low	213 Å²	213	168.4 Å²	168.4	93%	0.926	83%	0.83	S	S	*	*			trans	-153.8	123.6	133.7	-111.7	178.2	-177.1	-178.9	0	112.8
443	K	35.4	Very low	37.7	Very low	179 Å²	179	168.6 Å²	168.6	78%	0.778	83%	0.828	S	S	*	*			trans	-53.1	168.3	155.3	-84.5	177.2	157.1	-160	0	111.2
444	D	36.5	Very low	37.6	Very low	118 Å²	118	166 Å²	166	63%	0.631	86%	0.857	S	S	*	*			cis	-168.4	153.1	-0.7	-98.6	-31.2	0	0	0	103.1
445	T	33.2	Very low	37.3	Very low	151 Å²	151	168.8 Å²	168.8	93%	0.926	86%	0.864	S	S	*	*				170.4	135.7	125.5	31.6	0	0	0	0	111.6
446	A	38.5	Very low	37.6	Very low	91 Å²	91	167.4 Å²	167.4	75%	0.752	87%	0.865	S	S	*	*			trans	-101.8	147.8	-179.8	0	0	0	0	0	110.7
447	T	35	Very low	37.7	Very low	135 Å²	135	166.9 Å²	166.9	83%	0.828	87%	0.868	S	S	*	*			trans	-153.1	113	149.1	-4.2	0	0	0	0	113.9
448	K	36.3	Very low	37.6	Very low	192 Å²	192	169.4 Å²	169.4	84%	0.835	87%	0.871	S	S	*	*			trans	47.1	113.6	135.5	-70.9	-179.7	175.9	177.3	0	122.5
449	R	42	Very low	37.9	Very low	238 Å²	238	166.6 Å²	166.6	90%	0.898	88%	0.875	S	S	*	*				18.5	133	123.5	-70.3	-176.8	175.2	-166.1	-1.1	119.6
450	H	35.4	Very low	38.1	Very low	199 Å²	199	168.9 Å²	168.9	92%	0.921	89%	0.888	S	S	*	*				-155.9	141.9	118.7	-105.7	-56.4	0	0	0	112.2
451	R	47.1	Very low	38.6	Very low	249 Å²	249	171 Å²	171	94%	0.94	89%	0.89	S	S	*	*			trans	-112.7	141	173.8	-102.8	-172.4	176.7	-175.3	-1.4	109.3
452	G	35.6	Very low	38.6	Very low	73 Å²	73	165.5 Å²	165.5	75%	0.753	89%	0.888	S	S	*	*			trans	95.8	170.5	144.3	0	0	0	0	0	117.6
453	P	56.6	Low	39	Very low	133 Å²	133	161.6 Å²	161.6	86%	0.864	89%	0.885	S	S	*	*			cis	-140.1	-173.2	-20.8	39.8	-21.2	0	0	0	114.5
454	A	36.3	Very low	39.3	Very low	181 Å²	181	160 Å²	160	100%	1.496	90%	0.895	S	S	*	*			trans	93.5	0	172.9	0	0	0	0	0	116.3

Retrieved 454 of 454 residues in 87.9 ms (Link to these results)

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