A0A5K4FCK7_SCHMA Loading...

5'-nucleotidase domain-containing protein 3 AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FCK7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 509 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	30.4	Very low	247 Å²	247	171.1 Å²	171.1	100%	1.217	89%	0.887	S	S	*	*				0	99.1	0	-77.1	177.9	179	0	0	108.4
2	S	29.8	Very low	30.4	Very low	119 Å²	119	162.6 Å²	162.6	83%	0.832	87%	0.872	S	S	*	*			trans	-100.5	119.1	179.4	47.4	0	0	0	0	109.6
3	V	31.8	Very low	30.4	Very low	137 Å²	137	165.9 Å²	165.9	83%	0.83	87%	0.867	S	S	*	*			trans	-132.7	119.7	165.7	-176.9	0	0	0	0	107.9
4	P	32.9	Very low	30.6	Very low	120 Å²	120	169.6 Å²	169.6	78%	0.779	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-86.1	132.9	-174.8	30.9	-27.7	0	0	0	111.4
5	R	30.1	Very low	30.5	Very low	250 Å²	250	172.9 Å²	172.9	94%	0.943	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-82.4	127.7	173.6	-81.8	-174.9	176.5	-175	-0.7	110.6
6	K	29.2	Very low	30.6	Very low	203 Å²	203	173.1 Å²	173.1	88%	0.883	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-60.4	147.3	-177	-77.6	176.6	171.8	177.7	0	113.9
7	F	26.5	Very low	30.4	Very low	218 Å²	218	171.4 Å²	171.4	96%	0.956	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-48	123.6	171	-78.5	-102.2	0	0	0	113.8
8	G	29.6	Very low	30.3	Very low	74 Å²	74	168.6 Å²	168.6	76%	0.763	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-95.7	138	164.7	0	0	0	0	0	110.6
9	R	28.2	Very low	30.2	Very low	244 Å²	244	167.6 Å²	167.6	92%	0.921	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-51	140.5	-167.1	-71.3	168.3	174	177	-3.2	116.1	N11	R9-N11 PolarHBondContact O-N 3.16Å
10	S	27.4	Very low	30	Very low	115 Å²	115	169.9 Å²	169.9	80%	0.804	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-59.2	118	164.7	54.2	0	0	0	0	111.9
11	N	33.4	Very low	29.9	Very low	155 Å²	155	167.7 Å²	167.7	83%	0.829	85%	0.845	S	S	*	*			trans	-107.8	125.7	154.7	-87.1	-14.1	0	0	0	107.6	R9	R9-N11 PolarHBondContact O-N 3.16Å
12	G	30.8	Very low	29.7	Very low	69 Å²	69	160.9 Å²	160.9	71%	0.711	82%	0.822	S	S	*	*			trans	-56.6	131.6	-165.3	0	0	0	0	0	114.1	Y14	G12-Y14 PolarHBondContact O-N 3.14Å
13	Y	30.6	Very low	29.7	Very low	206 Å²	206	165.7 Å²	165.7	81%	0.808	82%	0.822	S	S	*	*			trans	-70.5	111.4	170.1	-70.2	-93.5	0	0	0	109.6	W15	Y13-W15 PolarHBondContact O-N 2.99Å; Y13-W15 VanDerWaalsContact O-N 3.13Å
14	Y	33.8	Very low	29.8	Very low	218 Å²	218	169.5 Å²	169.5	86%	0.855	82%	0.823	S	S	*	*			trans	-72	97.6	161.1	-80.9	-88.6	0	0	0	108.5	G12 F16	G12-Y14 PolarHBondContact O-N 3.14Å; Y14-F16 PolarHBondContact O-N 3.22Å
15	W	29	Very low	29.6	Very low	218 Å²	218	171.3 Å²	171.3	83%	0.826	83%	0.825	S	S	*	*			trans	-77.8	93.2	169.2	-84.7	69.8	0	0	0	109.4	Y13 I17	Y13-W15 PolarHBondContact O-N 2.99Å; Y13-W15 VanDerWaalsContact O-N 3.13Å; W15-I17 PolarHBondContact O-N 3.5Å
16	F	32.3	Very low	29.8	Very low	176 Å²	176	165.3 Å²	165.3	77%	0.772	81%	0.81	S	S	*	*			trans	-76.8	108.9	152.6	-88.1	-85.5	0	0	0	107.8	Y14 V18	Y14-F16 PolarHBondContact O-N 3.22Å; F16-V18 HydrophobicContact CB-CG2 4.43Å; F16-V18 PolarHBondContact O-N 2.96Å
17	I	26.3	Very low	29.8	Very low	144 Å²	144	160.9 Å²	160.9	74%	0.738	81%	0.805	S	S	*	*			trans	-66.8	86.4	164.6	-63.1	172.5	0	0	0	106.5	W15 L19	W15-I17 PolarHBondContact O-N 3.5Å; I17-L19 PolarHBondContact O-N 3.47Å
18	V	28.7	Very low	30.2	Very low	121 Å²	121	160.3 Å²	160.3	73%	0.733	80%	0.797	S	S	*	*			trans	-78.2	105.4	162	-179.9	0	0	0	0	105.8	F16 K20	F16-V18 HydrophobicContact CB-CG2 4.43Å; F16-V18 PolarHBondContact O-N 2.96Å; V18-K20 PolarHBondContact O-N 3.37Å
19	L	28.6	Very low	30.4	Very low	151 Å²	151	164.8 Å²	164.8	79%	0.791	80%	0.803	S	S	*	*			trans	-47.6	111.6	166.7	-83.6	152.5	0	0	0	108.5	I17 C21	I17-L19 PolarHBondContact O-N 3.47Å; L19-C21 PolarHBondContact O-N 3.48Å
20	K	25.6	Very low	30.7	Very low	213 Å²	213	159.4 Å²	159.4	93%	0.926	79%	0.792	S	S	*	*			trans	-62.8	84.8	168.9	-87.8	178.6	171.9	173.6	0	108.5	V18 S22	V18-K20 PolarHBondContact O-N 3.37Å; K20-S22 PolarHBondContact O-N 2.89Å
21	C	29	Very low	31.1	Very low	124 Å²	124	157.9 Å²	157.9	84%	0.838	78%	0.78	S	S	*	*			trans	-72.9	122	158.4	-93.5	0	0	0	0	108.3	L19	L19-C21 PolarHBondContact O-N 3.48Å
22	S	31.3	Very low	31.8	Very low	103 Å²	103	156 Å²	156	72%	0.72	78%	0.78	S	S	*	*			trans	-59.8	129.7	-176.4	54.1	0	0	0	0	113	K20	K20-S22 PolarHBondContact O-N 2.89Å
23	R	29.1	Very low	32.7	Very low	221 Å²	221	156.8 Å²	156.8	83%	0.834	77%	0.774	S	S	*	*			trans	32.9	89.4	140.3	-67.6	-179.5	175.4	177.6	-1.9	116.3
24	Y	33.1	Very low	33.8	Very low	216 Å²	216	150.9 Å²	150.9	85%	0.847	76%	0.76	S	S	*	*			trans	-110.1	93.4	135.1	-92.9	-89.3	0	0	0	107.8	I26	Y24-I26 PolarHBondContact O-N 3.5Å
25	L	30	Very low	35	Very low	158 Å²	158	145.1 Å²	145.1	83%	0.827	74%	0.743	S	S	*	*			trans	-69.7	85.2	163.9	-95	138.5	0	0	0	107.2
26	I	33	Very low	37.2	Very low	124 Å²	124	137.1 Å²	137.1	64%	0.636	73%	0.729	S	S	*	*			trans	-95	100	158.8	-62.2	178.2	0	0	0	105.9	Y24 R28	Y24-I26 PolarHBondContact O-N 3.5Å; I26-R28 HydrophobicContact CG2-CG 4.19Å; I26-R28 PolarHBondContact O-N 3.28Å; I26-R28 VanDerWaalsContact O-N 3.08Å
27	S	30.5	Very low	39.9	Very low	111 Å²	111	133.4 Å²	133.4	78%	0.776	72%	0.72	S	S	*	*			trans	-59.5	107.7	164.5	60.3	0	0	0	0	108.6
28	R	33.8	Very low	42.9	Very low	206 Å²	206	127.9 Å²	127.9	78%	0.777	69%	0.691	S	S	*	*			trans	-129.4	88.3	159.5	-87	-173.4	170.7	-177.4	-2.6	108.7	I26 L30	I26-R28 HydrophobicContact CG2-CG 4.19Å; I26-R28 PolarHBondContact O-N 3.28Å; I26-R28 VanDerWaalsContact O-N 3.08Å; R28-L30 PolarHBondContact O-N 3.45Å
29	N	33.8	Very low	46	Very low	168 Å²	168	123.6 Å²	123.6	90%	0.898	66%	0.664	S	S	*	*			trans	-61.2	102.2	145	-81.9	-27	0	0	0	106.8
30	L	35.5	Very low	49	Very low	130 Å²	130	118.9 Å²	118.9	68%	0.681	65%	0.646	S	S	*	*			trans	-156.3	108.4	165.1	-102.3	148.9	0	0	0	109.8	R28	R28-L30 PolarHBondContact O-N 3.45Å
31	C	36	Very low	52.3	Low	83 Å²	83	113.5 Å²	113.5	56%	0.561	62%	0.62	S	S	*	*			trans	64.3	112.8	152.1	-83.9	0	0	0	0	121.2	S33 T34	C31-S33 PolarHBondContact O-N 2.84Å; C31-T34 PolarHBondContact O-OG1 3.38Å
32	S	46.5	Very low	55.5	Low	117 Å²	117	107.6 Å²	107.6	82%	0.818	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	2.7	162.4	50.3	0	0	0	0	116.5
33	S	50.2	Low	58.6	Low	84 Å²	84	107.7 Å²	107.7	59%	0.587	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-8.6	178.9	59.7	0	0	0	0	114	C31 V37	C31-S33 PolarHBondContact O-N 2.84Å; S33-V37 WeakPolarHBondContact O-CG2 3.25Å
34	T	54.5	Low	61.8	Low	83 Å²	83	104.1 Å²	104.1	51%	0.509	56%	0.562	S	S	.	*	S	Bend	trans	-83.6	-21.4	-177.2	53.6	0	0	0	0	114	C31 G36 V37 E38	C31-T34 PolarHBondContact O-OG1 3.38Å; T34-G36 PolarHBondContact O-N 3.3Å; T34-V37 PolarHBondContact O-N 3.38Å; T34-V37 VanDerWaalsContact O-N 3.17Å; T34-E38 PolarHBondContact O-N 2.67Å
35	N	58.4	Low	64.8	Low	96 Å²	96	98.2 Å²	98.2	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-61.4	-44.2	-168.8	-77.7	-3.3	0	0	0	113.3	T428	N35-T428 HydrophobicContact CB-CG2 4.12Å
36	G	76	Confident	68	Low	50 Å²	50	93.3 Å²	93.3	52%	0.515	51%	0.509	S	S	.	.	H	α-helix	trans	-76.5	-24.2	178.6	0	0	0	0	0	114.1	T34 A40	T34-G36 PolarHBondContact O-N 3.3Å; G36-A40 WeakPolarHBondContact O-CB 3.49Å; G36-A40 PolarHBondContact O-N 3.37Å
37	V	87.8	Confident	71	Confident	99 Å²	99	90 Å²	90	60%	0.6	50%	0.501	S	S	*	.	H	α-helix	trans	-71.3	-42.3	-174.1	179.8	0	0	0	0	111.2	S33 T34 R41	S33-V37 WeakPolarHBondContact O-CG2 3.25Å; T34-V37 PolarHBondContact O-N 3.38Å; T34-V37 VanDerWaalsContact O-N 3.17Å; V37-R41 VanDerWaalsContact O-CB 3.32Å; V37-R41 WeakPolarHBondContact O-CB 3.46Å; V37-R41 PolarHBondContact O-N 2.96Å
38	E	90.6	Very high	74	Confident	28 Å²	28	88.9 Å²	88.9	13%	0.131	49%	0.485	C	S	.	.	H	α-helix	trans	-62.9	-49.8	178.5	178.7	161.9	-121.6	0	0	111.4	T34 R41 M42 V426 H427 T428 A431	T34-E38 PolarHBondContact O-N 2.67Å; E38-R41 PolarHBondContact O-N 2.66Å; E38-M42 HydrophobicContact CG-SD 4.36Å; E38-M42 WeakPolarHBondContact O-CG 3.15Å; E38-M42 PolarHBondContact O-N 2.87Å; E38-V426 HydrophobicContact CG-CB 4.42Å; E38-V426 HydrophobicContact CG-CG1 4.13Å; E38-V426 WeakPolarHBondContact OE1-CA 3.32Å; E38-V426 VanDerWaalsContact OE1-CB 3.32Å; E38-V426 WeakPolarHBondContact OE1-CB 3.42Å; E38-V426 VanDerWaalsContact OE1-CG1 3.25Å; E38-V426 WeakPolarHBondContact OE1-CG1 3.31Å; E38-H427 PolarHBondContact OE2-N 2.62Å; E38-T428 PolarHBondContact OE2-N 3.33Å; E38-A431 HydrophobicContact CG-CB 3.96Å
39	M	91.8	Very high	76.9	Confident	31 Å²	31	79.2 Å²	79.2	15%	0.153	45%	0.449	C	S	.	.	H	α-helix	trans	-63.5	-46.6	-179.3	-174.5	51.9	167.1	0	0	111.7	R41 M42 Q43 L434	M39-R41 VanDerWaalsContact C-N 3.32Å; M39-R41 PolarHBondContact O-N 3.47Å; M39-M42 PolarHBondContact O-N 3.37Å; M39-Q43 HydrophobicContact CE-CG 4.25Å; M39-Q43 WeakPolarHBondContact O-CG 3.3Å; M39-Q43 PolarHBondContact O-N 3.38Å; M39-Q43 HydrophobicContact SD-CG 4.23Å; M39-L434 HydrophobicContact CE-CB 4.14Å; M39-L434 HydrophobicContact CE-CD2 3.94Å; M39-L434 HydrophobicContact SD-CB 4.19Å; M39-L434 HydrophobicContact SD-CD2 3.62Å
40	A	93.2	Very high	79.7	Confident	51 Å²	51	73 Å²	73	42%	0.421	42%	0.416	S	S	.	.	H	α-helix	trans	-59.3	-42	176.7	0	0	0	0	0	112.1	G36 Q43 Q44	G36-A40 WeakPolarHBondContact O-CB 3.49Å; G36-A40 PolarHBondContact O-N 3.37Å; A40-Q43 PolarHBondContact O-N 3.44Å; A40-Q44 VanDerWaalsContact O-CB 3.31Å; A40-Q44 WeakPolarHBondContact O-CB 3.4Å; A40-Q44 PolarHBondContact O-N 3.2Å
41	R	94.2	Very high	82.3	Confident	101 Å²	101	72.4 Å²	72.4	38%	0.381	41%	0.408	S	S	.	.	H	α-helix	trans	-62	-45.4	176.4	-175.1	-171.7	73.7	-172.8	1	111.8	V37 E38 M39 Q44 R45 N423	V37-R41 VanDerWaalsContact O-CB 3.32Å; V37-R41 WeakPolarHBondContact O-CB 3.46Å; V37-R41 PolarHBondContact O-N 2.96Å; E38-R41 PolarHBondContact O-N 2.66Å; M39-R41 VanDerWaalsContact C-N 3.32Å; M39-R41 PolarHBondContact O-N 3.47Å; R41-Q44 PolarHBondContact O-N 3.01Å; R41-R45 WeakPolarHBondContact O-CG 3.18Å; R41-R45 PolarHBondContact O-N 3.22Å; R41-N423 PolarHBondContact NH2-OD1 3.13Å; R41-N423 VanDerWaalsContact NH2-OD1 3.15Å
42	M	96.4	Very high	84.8	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-62.3	-46.7	178.3	-73.5	178.8	74.3	0	0	111.5	E38 M39 R45 Y46 N423 V426 A431 L434 L435 W438	E38-M42 HydrophobicContact CG-SD 4.36Å; E38-M42 WeakPolarHBondContact O-CG 3.15Å; E38-M42 PolarHBondContact O-N 2.87Å; M39-M42 PolarHBondContact O-N 3.37Å; M42-R45 PolarHBondContact O-N 2.93Å; M42-Y46 WeakPolarHBondContact O-CB 3.44Å; M42-Y46 PolarHBondContact O-N 3.31Å; M42-N423 HydrophobicContact CE-CB 4.11Å; M42-N423 WeakPolarHBondContact CG-OD1 3.44Å; M42-N423 HydrophobicContact SD-CB 4.47Å; M42-V426 HydrophobicContact CE-CG1 4.25Å; M42-V426 HydrophobicContact SD-CG1 3.6Å; M42-A431 HydrophobicContact SD-CB 3.63Å; M42-L434 HydrophobicContact CB-CD2 3.77Å; M42-L434 HydrophobicContact CE-CB 4.31Å; M42-L434 HydrophobicContact CE-CD2 4.08Å; M42-L434 HydrophobicContact CE-CG 4.18Å; M42-L435 HydrophobicContact CE-CB 4.37Å; M42-W438 HydrophobicContact CB-CH2 3.73Å; M42-W438 HydrophobicContact CB-CZ2 4.11Å; M42-W438 HydrophobicContact CE-CE3 4.11Å; M42-W438 HydrophobicContact CE-CH2 3.58Å; M42-W438 HydrophobicContact CE-CZ2 4.16Å; M42-W438 HydrophobicContact CE-CZ3 3.55Å; M42-W438 HydrophobicContact CG-CH2 4.04Å
43	Q	95.9	Very high	86.7	Confident	104 Å²	104	68 Å²	68	49%	0.486	37%	0.366	S	S	.	.	H	α-helix	trans	-62.3	-43.5	177.7	-72.1	177.2	-28.7	0	0	112.1	M39 A40 R45 Y46 A47 L434	M39-Q43 HydrophobicContact CE-CG 4.25Å; M39-Q43 WeakPolarHBondContact O-CG 3.3Å; M39-Q43 PolarHBondContact O-N 3.38Å; M39-Q43 HydrophobicContact SD-CG 4.23Å; A40-Q43 PolarHBondContact O-N 3.44Å; Q43-R45 PolarHBondContact O-N 3.32Å; Q43-Y46 PolarHBondContact O-N 3.33Å; Q43-A47 WeakPolarHBondContact O-CB 2.97Å; Q43-A47 PolarHBondContact O-N 2.74Å; Q43-L434 HydrophobicContact CG-CD2 4.14Å
44	Q	96.3	Very high	88.2	Confident	146 Å²	146	71.2 Å²	71.2	68%	0.682	37%	0.372	S	S	*	.	H	α-helix	trans	-61.6	-43.7	177.4	-172.8	-175.9	9.6	0	0	111.7	A40 R41 A47 L48	A40-Q44 VanDerWaalsContact O-CB 3.31Å; A40-Q44 WeakPolarHBondContact O-CB 3.4Å; A40-Q44 PolarHBondContact O-N 3.2Å; R41-Q44 PolarHBondContact O-N 3.01Å; Q44-A47 PolarHBondContact O-N 2.73Å; Q44-L48 PolarHBondContact O-N 2.9Å
45	R	96	Very high	89.4	Confident	92 Å²	92	71.9 Å²	71.9	35%	0.347	37%	0.369	S	S	.	.	H	α-helix	trans	-66.2	-39.1	177.3	-75.1	-173.2	178.2	-174.6	5.6	112.4	R41 M42 Q43 L48 L49 L419 E422	R41-R45 WeakPolarHBondContact O-CG 3.18Å; R41-R45 PolarHBondContact O-N 3.22Å; M42-R45 PolarHBondContact O-N 2.93Å; Q43-R45 PolarHBondContact O-N 3.32Å; R45-L48 PolarHBondContact O-N 2.86Å; R45-L49 PolarHBondContact O-N 3.35Å; R45-L419 HydrophobicContact CB-CD2 3.78Å; R45-L419 HydrophobicContact CG-CD2 4.5Å; R45-E422 IonicContact CZ-OE2 2.94Å; R45-E422 IonicContact NH1-OE2 2.97Å; R45-E422 PolarHBondContact NH1-OE2 3.1Å
46	Y	96.9	Very high	89.5	Confident	56 Å²	56	74.1 Å²	74.1	22%	0.22	38%	0.376	C	S	.	.	H	α-helix	trans	-68	-39.9	176.2	-175	-103	0	0	0	112.3	M42 Q43 L48 L49 N50 R412 L416 L419 W438 E441	M42-Y46 WeakPolarHBondContact O-CB 3.44Å; M42-Y46 PolarHBondContact O-N 3.31Å; Q43-Y46 PolarHBondContact O-N 3.33Å; Y46-L48 VanDerWaalsContact C-N 3.32Å; Y46-L48 PolarHBondContact O-N 3.08Å; Y46-L49 WeakPolarHBondContact O-CB 3.39Å; Y46-L49 PolarHBondContact O-N 3.18Å; Y46-L49 VanDerWaalsContact O-N 3.17Å; Y46-N50 WeakPolarHBondContact CE1-ND2 3.39Å; Y46-N50 PolarHBondContact O-N 3.04Å; Y46-R412 PolarHBondContact OH-NH2 3.47Å; Y46-L416 HydrophobicContact CD2-CD1 4.39Å; Y46-L416 HydrophobicContact CE2-CD1 4.14Å; Y46-L419 HydrophobicContact CD2-CD1 4.31Å; Y46-W438 AromaticContact CD2-CD1 3.95Å; Y46-W438 AromaticContact CD2-CE2 3.76Å; Y46-W438 HydrophobicContact CD2-CZ2 4.11Å; Y46-W438 AromaticContact CD2-NE1 3.29Å; Y46-W438 VanDerWaalsContact CD2-NE1 3.29Å; Y46-W438 AromaticContact CE2-CD1 3.87Å; Y46-W438 AromaticContact CE2-NE1 3.63Å; Y46-W438 HydrophobicContact CG-CZ2 4.13Å; Y46-W438 AromaticContact CG-NE1 3.69Å; Y46-E441 WeakPolarHBondContact CE2-OE2 3.21Å; Y46-E441 PolarHBondContact OH-OE1 3.16Å; Y46-E441 PolarHBondContact OH-OE2 2.89Å
47	A	95.9	Very high	88.7	Confident	55 Å²	55	73.6 Å²	73.6	46%	0.455	36%	0.361	S	S	.	.	H	α-helix	trans	-61	-41.2	172.1	0	0	0	0	0	111.8	Q43 Q44 L49 N50 K51	Q43-A47 WeakPolarHBondContact O-CB 2.97Å; Q43-A47 PolarHBondContact O-N 2.74Å; Q44-A47 PolarHBondContact O-N 2.73Å; A47-L49 VanDerWaalsContact C-N 3.34Å; A47-L49 PolarHBondContact O-N 3.28Å; A47-N50 PolarHBondContact O-N 3.15Å; A47-K51 PolarHBondContact O-N 3.16Å
48	L	94.5	Very high	87.1	Confident	86 Å²	86	74.1 Å²	74.1	45%	0.45	36%	0.364	S	S	.	.	H	α-helix	trans	-63.3	-38.9	173.8	-179.3	62.7	0	0	0	112.3	Q44 R45 Y46 K52	Q44-L48 PolarHBondContact O-N 2.9Å; R45-L48 PolarHBondContact O-N 2.86Å; Y46-L48 VanDerWaalsContact C-N 3.32Å; Y46-L48 PolarHBondContact O-N 3.08Å; L48-K52 HydrophobicContact CD1-CD 4.49Å; L48-K52 HydrophobicContact CD1-CG 4.4Å; L48-K52 HydrophobicContact CG-CD 4.31Å; L48-K52 WeakPolarHBondContact O-CB 3.36Å; L48-K52 WeakPolarHBondContact O-CG 3.44Å; L48-K52 PolarHBondContact O-N 2.91Å
49	L	93.9	Very high	85.7	Confident	3 Å²	3	78.3 Å²	78.3	2%	0.016	39%	0.392	C	S	.	.	H	α-helix	trans	-59.4	-47.7	173.2	174.6	162.3	0	0	0	111	R45 Y46 A47 K52 C53 R412 M415 L416 L419	R45-L49 PolarHBondContact O-N 3.35Å; Y46-L49 WeakPolarHBondContact O-CB 3.39Å; Y46-L49 PolarHBondContact O-N 3.18Å; Y46-L49 VanDerWaalsContact O-N 3.17Å; A47-L49 VanDerWaalsContact C-N 3.34Å; A47-L49 PolarHBondContact O-N 3.28Å; L49-K52 PolarHBondContact O-N 3.13Å; L49-C53 PolarHBondContact O-N 2.9Å; L49-C53 PolarHBondContact O-SG 3.46Å; L49-R412 HydrophobicContact CD2-CG 4.15Å; L49-M415 HydrophobicContact CB-CE 4.13Å; L49-M415 HydrophobicContact CD1-CB 3.53Å; L49-M415 HydrophobicContact CG-CB 3.8Å; L49-M415 HydrophobicContact CG-CE 4.03Å; L49-M415 HydrophobicContact CG-SD 4.47Å; L49-L416 HydrophobicContact CD1-CB 4.14Å; L49-L416 HydrophobicContact CD1-CD1 4.49Å; L49-L419 HydrophobicContact CB-CD1 4.07Å; L49-L419 HydrophobicContact CD1-CD1 3.55Å; L49-L419 HydrophobicContact CD1-CG 4.15Å; L49-L419 HydrophobicContact CG-CD1 4.48Å
50	N	92.3	Very high	84.3	Confident	39 Å²	39	80.1 Å²	80.1	21%	0.209	40%	0.402	C	S	.	.	H	α-helix	trans	-58.7	-50.9	178.3	-68.8	-25.8	0	0	0	111.1	Y46 A47 K52 C53 E54 R412	Y46-N50 WeakPolarHBondContact CE1-ND2 3.39Å; Y46-N50 PolarHBondContact O-N 3.04Å; A47-N50 PolarHBondContact O-N 3.15Å; N50-K52 VanDerWaalsContact C-N 3.3Å; N50-K52 PolarHBondContact O-N 2.78Å; N50-C53 WeakPolarHBondContact O-CA 3.25Å; N50-C53 WeakPolarHBondContact O-CB 3.32Å; N50-C53 PolarHBondContact O-N 2.98Å; N50-E54 WeakPolarHBondContact O-CG 3.43Å; N50-E54 PolarHBondContact O-N 2.86Å; N50-R412 VanDerWaalsContact OD1-CZ 3.27Å; N50-R412 PolarHBondContact OD1-NH1 3.22Å; N50-R412 PolarHBondContact OD1-NH2 3.36Å
51	K	91.1	Very high	83.5	Confident	116 Å²	116	84.6 Å²	84.6	50%	0.504	42%	0.419	S	S	.	.	H	α-helix	trans	-54.8	-45.1	177.2	-165.9	-171.1	-172.3	-123.2	0	111.9	A47 C53 E54 E55	A47-K51 PolarHBondContact O-N 3.16Å; K51-C53 VanDerWaalsContact C-N 3.3Å; K51-C53 PolarHBondContact O-N 2.98Å; K51-E54 PolarHBondContact O-N 2.95Å; K51-E55 WeakPolarHBondContact CD-OE1 3.46Å; K51-E55 WeakPolarHBondContact CE-OE1 3.27Å; K51-E55 HydrophobicContact CG-CG 4.41Å; K51-E55 IonicContact NZ-OE1 3.11Å; K51-E55 PolarHBondContact NZ-OE1 2.85Å; K51-E55 WeakPolarHBondContact O-CB 3.24Å; K51-E55 VanDerWaalsContact O-CG 3.3Å; K51-E55 WeakPolarHBondContact O-CG 3.45Å; K51-E55 PolarHBondContact O-N 3.41Å
52	K	89	Confident	83.2	Confident	93 Å²	93	87.6 Å²	87.6	40%	0.404	44%	0.437	S	S	.	.	H	α-helix	trans	-67.9	-26.5	177.9	-78.4	-178.4	175.7	-171.7	0	114	L48 L49 N50 K411 M415	L48-K52 HydrophobicContact CD1-CD 4.49Å; L48-K52 HydrophobicContact CD1-CG 4.4Å; L48-K52 HydrophobicContact CG-CD 4.31Å; L48-K52 WeakPolarHBondContact O-CB 3.36Å; L48-K52 WeakPolarHBondContact O-CG 3.44Å; L48-K52 PolarHBondContact O-N 2.91Å; L49-K52 PolarHBondContact O-N 3.13Å; N50-K52 VanDerWaalsContact C-N 3.3Å; N50-K52 PolarHBondContact O-N 2.78Å; K52-K411 WeakPolarHBondContact O-CE 3.14Å; K52-K411 PolarHBondContact O-NZ 3.04Å; K52-M415 HydrophobicContact CB-CE 3.72Å; K52-M415 HydrophobicContact CB-SD 4.3Å; K52-M415 HydrophobicContact CD-CE 3.6Å; K52-M415 HydrophobicContact CG-CE 4.3Å
53	C	86.4	Confident	83	Confident	14 Å²	14	89.6 Å²	89.6	10%	0.095	45%	0.449	C	S	.	.	H	α-helix	trans	-75.4	-33.5	173.1	-66.1	0	0	0	0	111.1	L49 N50 K51	L49-C53 PolarHBondContact O-N 2.9Å; L49-C53 PolarHBondContact O-SG 3.46Å; N50-C53 WeakPolarHBondContact O-CA 3.25Å; N50-C53 WeakPolarHBondContact O-CB 3.32Å; N50-C53 PolarHBondContact O-N 2.98Å; K51-C53 VanDerWaalsContact C-N 3.3Å; K51-C53 PolarHBondContact O-N 2.98Å
54	E	80.9	Confident	83	Confident	153 Å²	153	88.4 Å²	88.4	72%	0.715	45%	0.446	S	S	*	.	H	α-helix	trans	-77.2	-32.9	175.8	-67.9	166.8	-168.4	0	0	113.1	N50 K51 H56	N50-E54 WeakPolarHBondContact O-CG 3.43Å; N50-E54 PolarHBondContact O-N 2.86Å; K51-E54 PolarHBondContact O-N 2.95Å; E54-H56 VanDerWaalsContact C-N 3.29Å; E54-H56 PolarHBondContact O-N 3.12Å
55	E	79.7	Confident	83	Confident	96 Å²	96	83 Å²	83	45%	0.449	42%	0.424	S	S	.	.	S	Bend	trans	-65.8	86.4	173.8	-75.8	171.9	178.5	0	0	110.3	K51	K51-E55 WeakPolarHBondContact CD-OE1 3.46Å; K51-E55 WeakPolarHBondContact CE-OE1 3.27Å; K51-E55 HydrophobicContact CG-CG 4.41Å; K51-E55 IonicContact NZ-OE1 3.11Å; K51-E55 PolarHBondContact NZ-OE1 2.85Å; K51-E55 WeakPolarHBondContact O-CB 3.24Å; K51-E55 VanDerWaalsContact O-CG 3.3Å; K51-E55 WeakPolarHBondContact O-CG 3.45Å; K51-E55 PolarHBondContact O-N 3.41Å
56	H	60	Low	83.1	Confident	143 Å²	143	84.6 Å²	84.6	66%	0.662	43%	0.43	S	S	*	.			trans	50.6	122.2	164.1	-84.2	23.5	0	0	0	119.2	E54 T58	E54-H56 VanDerWaalsContact C-N 3.29Å; E54-H56 PolarHBondContact O-N 3.12Å; H56-T58 PolarHBondContact CD2-OG1 3.21Å; H56-T58 VanDerWaalsContact CD2-OG1 3.24Å
57	I	59.2	Low	83	Confident	39 Å²	39	84.2 Å²	84.2	20%	0.2	43%	0.432	C	S	.	.			trans	-117.5	20.4	168.5	-85.5	166.4	0	0	0	111.4	T59 L60 I408	I57-T59 PolarHBondContact O-N 3.38Å; I57-L60 HydrophobicContact CB-CD1 4.16Å; I57-L60 HydrophobicContact CB-CG 4.49Å; I57-L60 HydrophobicContact CG1-CD1 3.99Å; I57-L60 HydrophobicContact CG1-CG 4.42Å; I57-L60 HydrophobicContact CG2-CD1 3.44Å; I57-L60 VanDerWaalsContact CG2-CD1 3.44Å; I57-L60 HydrophobicContact CG2-CG 4.04Å; I57-I408 HydrophobicContact CD1-CB 3.91Å; I57-I408 HydrophobicContact CD1-CD1 4.32Å; I57-I408 HydrophobicContact CD1-CG1 3.15Å; I57-I408 HydrophobicContact CD1-CG2 4.43Å; I57-I408 HydrophobicContact CG1-CG1 4.35Å; I57-I408 HydrophobicContact CG2-CG1 4.23Å
58	T	55.2	Low	83.1	Confident	110 Å²	110	82 Å²	82	68%	0.675	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-6	179.8	44.8	0	0	0	0	114.3	H56	H56-T58 PolarHBondContact CD2-OG1 3.21Å; H56-T58 VanDerWaalsContact CD2-OG1 3.24Å
59	T	60.3	Low	83.3	Confident	117 Å²	117	79.5 Å²	79.5	72%	0.718	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	15.8	-177.8	56.8	0	0	0	0	114.2	I57 D61	I57-T59 PolarHBondContact O-N 3.38Å; T59-D61 PolarHBondContact O-N 3.01Å
60	L	63.5	Low	83.4	Confident	69 Å²	69	80.2 Å²	80.2	36%	0.361	40%	0.403	S	S	.	.			trans	-74.9	103.6	180	-65.8	-175.8	0	0	0	110.4	I57 Q62 K407	I57-L60 HydrophobicContact CB-CD1 4.16Å; I57-L60 HydrophobicContact CB-CG 4.49Å; I57-L60 HydrophobicContact CG1-CD1 3.99Å; I57-L60 HydrophobicContact CG1-CG 4.42Å; I57-L60 HydrophobicContact CG2-CD1 3.44Å; I57-L60 VanDerWaalsContact CG2-CD1 3.44Å; I57-L60 HydrophobicContact CG2-CG 4.04Å; L60-Q62 PolarHBondContact O-N 3.42Å; L60-K407 HydrophobicContact CB-CD 3.68Å; L60-K407 HydrophobicContact CD1-CB 3.29Å; L60-K407 HydrophobicContact CD1-CD 3.28Å; L60-K407 HydrophobicContact CD1-CG 3.88Å; L60-K407 HydrophobicContact CG-CD 4.06Å; L60-K407 PolarHBondContact O-NZ 3.37Å
61	D	76.8	Confident	83.6	Confident	144 Å²	144	81 Å²	81	77%	0.77	41%	0.407	S	S	*	.			trans	-38	117.2	172.8	-67.4	-27	0	0	0	110.1	T59 K407	T59-D61 PolarHBondContact O-N 3.01Å; D61-K407 PolarHBondContact O-NZ 2.94Å
62	Q	87.4	Confident	83.7	Confident	164 Å²	164	80.1 Å²	80.1	77%	0.766	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-76.7	127.7	169.8	-72.5	-167.9	-22.2	0	0	107.6	L60 N402	L60-Q62 PolarHBondContact O-N 3.42Å; Q62-N402 WeakPolarHBondContact CA-OD1 3.49Å
63	V	92.5	Very high	84.1	Confident	42 Å²	42	80 Å²	80	26%	0.255	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-87.5	125.2	174.3	-177.8	0	0	0	0	107.3	P65 F69 L398 N402	V63-P65 VanDerWaalsContact O-CD 3.25Å; V63-P65 WeakPolarHBondContact O-CD 3.48Å; V63-F69 HydrophobicContact CG1-CE1 3.74Å; V63-F69 HydrophobicContact CG1-CZ 3.51Å; V63-L398 HydrophobicContact CB-CD2 4.25Å; V63-L398 HydrophobicContact CG1-CD1 4.44Å; V63-L398 HydrophobicContact CG1-CD2 3.78Å; V63-N402 PolarHBondContact N-OD1 3.27Å; V63-N402 PolarHBondContact O-ND2 3.01Å
64	N	95.7	Very high	84.6	Confident	79 Å²	79	79.3 Å²	79.3	42%	0.422	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-60.1	122.5	176.6	177.9	3.5	0	0	0	109.4	R66 D67	N64-R66 PolarHBondContact O-N 2.98Å; N64-R66 VanDerWaalsContact O-N 3.1Å; N64-R66 PolarHBondContact OD1-N 3.2Å; N64-D67 HydrophobicContact CB-CB 4.13Å; N64-D67 VanDerWaalsContact O-CB 3.29Å; N64-D67 WeakPolarHBondContact O-CB 3.43Å; N64-D67 PolarHBondContact O-N 3.24Å; N64-D67 VanDerWaalsContact O-N 3.16Å
65	P	96.7	Very high	85.4	Confident	33 Å²	33	76 Å²	76	21%	0.214	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.8	177.5	-26.9	37.3	0	0	0	114.1	V63 E395 L398 I399	V63-P65 VanDerWaalsContact O-CD 3.25Å; V63-P65 WeakPolarHBondContact O-CD 3.48Å; P65-E395 HydrophobicContact CB-CB 4.49Å; P65-E395 HydrophobicContact CB-CG 4.12Å; P65-E395 WeakPolarHBondContact O-CG 3.5Å; P65-L398 HydrophobicContact CB-CB 4.16Å; P65-L398 HydrophobicContact CG-CB 4.41Å; P65-I399 HydrophobicContact CB-CG1 4.12Å; P65-I399 HydrophobicContact CG-CG1 3.77Å
66	R	96.4	Very high	86.3	Confident	126 Å²	126	71.5 Å²	71.5	48%	0.475	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	31.1	179	-64.4	-177.8	-179.2	159.8	1.7	113	N64 E395 N487	N64-R66 PolarHBondContact O-N 2.98Å; N64-R66 VanDerWaalsContact O-N 3.1Å; N64-R66 PolarHBondContact OD1-N 3.2Å; R66-E395 HydrophobicContact CG-CG 4.16Å; R66-E395 IonicContact NE-OE2 2.71Å; R66-E395 PolarHBondContact NE-OE2 3.04Å; R66-E395 IonicContact NH2-OE2 3.9Å; R66-N487 WeakPolarHBondContact CA-ND2 3.27Å; R66-N487 VanDerWaalsContact O-CB 3.29Å; R66-N487 WeakPolarHBondContact O-CB 2.75Å; R66-N487 PolarHBondContact O-ND2 3.49Å
67	D	96.4	Very high	88.1	Confident	48 Å²	48	68 Å²	68	26%	0.257	35%	0.352	S	S	.	.			trans	-84.1	170.8	176.3	-148.4	-16.3	0	0	0	112.1	N64 F69 T482 F491	N64-D67 HydrophobicContact CB-CB 4.13Å; N64-D67 VanDerWaalsContact O-CB 3.29Å; N64-D67 WeakPolarHBondContact O-CB 3.43Å; N64-D67 PolarHBondContact O-N 3.24Å; N64-D67 VanDerWaalsContact O-N 3.16Å; D67-F69 HydrophobicContact CB-CE2 3.89Å; D67-F69 HydrophobicContact CB-CZ 3.86Å; D67-T482 PolarHBondContact O-OG1 3.23Å; D67-F491 WeakPolarHBondContact OD1-CZ 3.31Å
68	V	98.1	Very high	89.9	Confident	8 Å²	8	72.4 Å²	72.4	5%	0.048	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.9	172.7	178.5	0	0	0	0	108.8	L480 N487 L488 F491 F497	V68-L480 HydrophobicContact CG1-CB 4.43Å; V68-L480 HydrophobicContact CG1-CD1 4.19Å; V68-N487 HydrophobicContact CG2-CB 4.05Å; V68-L488 HydrophobicContact CG1-CD2 4.37Å; V68-L488 HydrophobicContact CG2-CD2 4.01Å; V68-L488 HydrophobicContact CG2-CG 4.35Å; V68-F491 HydrophobicContact CB-CE2 4.21Å; V68-F491 HydrophobicContact CG2-CD2 4.44Å; V68-F491 HydrophobicContact CG2-CE2 3.93Å; V68-F497 HydrophobicContact CB-CE1 3.84Å; V68-F497 HydrophobicContact CB-CZ 3.92Å; V68-F497 HydrophobicContact CG1-CE1 4.06Å; V68-F497 HydrophobicContact CG1-CE2 4.34Å; V68-F497 HydrophobicContact CG1-CZ 3.93Å; V68-F497 HydrophobicContact CG2-CZ 4.46Å
69	F	97.4	Very high	92	Very high	34 Å²	34	67.1 Å²	67.1	15%	0.149	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	144	-178.8	-58.7	-90.2	0	0	0	110	V63 D67 L394 L398 L480 Y481	V63-F69 HydrophobicContact CG1-CE1 3.74Å; V63-F69 HydrophobicContact CG1-CZ 3.51Å; D67-F69 HydrophobicContact CB-CE2 3.89Å; D67-F69 HydrophobicContact CB-CZ 3.86Å; F69-L394 HydrophobicContact CD2-CD2 3.8Å; F69-L394 HydrophobicContact CE2-CD2 3.85Å; F69-L394 HydrophobicContact CE2-CG 4.43Å; F69-L398 HydrophobicContact CE2-CD1 3.55Å; F69-L398 HydrophobicContact CZ-CD1 3.56Å; F69-L398 HydrophobicContact CZ-CD2 4Å; F69-L398 HydrophobicContact CZ-CG 4.44Å; F69-L480 CarbonylContact O-C 3.54Å; F69-L480 WeakPolarHBondContact O-CA 3.47Å; F69-L480 VanDerWaalsContact O-CB 3.31Å; F69-L480 WeakPolarHBondContact O-CB 3.31Å; F69-Y481 HydrophobicContact CB-CD1 4.07Å; F69-Y481 HydrophobicContact CB-CD2 4.1Å; F69-Y481 HydrophobicContact CB-CE1 3.57Å; F69-Y481 HydrophobicContact CB-CE2 3.6Å; F69-Y481 HydrophobicContact CB-CG 4.31Å; F69-Y481 HydrophobicContact CD2-CD2 4.35Å; F69-Y481 AromaticContact CD2-CE2 3.91Å; F69-Y481 HydrophobicContact CD2-CE2 3.91Å; F69-Y481 AromaticContact CG-CE2 3.88Å; F69-Y481 HydrophobicContact CG-CE2 3.88Å; F69-Y481 AromaticContact CG-CZ 3.9Å; F69-Y481 PolarHBondContact N-O 2.87Å; F69-Y481 PolarHBondContact O-N 2.9Å
70	V	97.6	Very high	93.8	Very high	18 Å²	18	65.6 Å²	65.6	11%	0.109	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.2	-176.9	-52.9	0	0	0	0	112	N72 V74 L480 F497 P499	V70-N72 VanDerWaalsContact CB-O 3.26Å; V70-N72 WeakPolarHBondContact CB-O 3.24Å; V70-N72 VanDerWaalsContact CG2-O 3.28Å; V70-N72 WeakPolarHBondContact CG2-O 3.06Å; V70-V74 HydrophobicContact CB-CG2 4.38Å; V70-V74 HydrophobicContact CG1-CB 4.49Å; V70-V74 HydrophobicContact CG1-CG2 4.08Å; V70-L480 HydrophobicContact CB-CB 4.37Å; V70-L480 HydrophobicContact CG1-CB 3.74Å; V70-F497 HydrophobicContact CB-CB 4.2Å; V70-F497 HydrophobicContact CG1-CB 3.38Å; V70-F497 HydrophobicContact CG1-CD1 4.23Å; V70-F497 HydrophobicContact CG1-CD2 4.3Å; V70-F497 HydrophobicContact CG1-CG 3.75Å; V70-F497 HydrophobicContact CG2-CB 3.79Å; V70-P499 HydrophobicContact CG2-CB 4.1Å; V70-P499 WeakPolarHBondContact O-CB 3.5Å
71	N	95.6	Very high	95.4	Very high	56 Å²	56	62.5 Å²	62.5	30%	0.299	31%	0.306	S	S	.	.	S	Bend	trans	-89.3	-24.6	172.5	-65.3	-44.8	0	0	0	111.3	A478 T479	N71-A478 PolarHBondContact ND2-O 3.38Å; N71-T479 PolarHBondContact N-O 3.38Å
72	N	93.5	Very high	96.5	Very high	96 Å²	96	55.7 Å²	55.7	51%	0.513	27%	0.27	S	S	.	.	S	Bend	trans	-132.8	167.9	175.2	-68.2	-53.6	0	0	0	110.4	V70 V74 T479	V70-N72 VanDerWaalsContact CB-O 3.26Å; V70-N72 WeakPolarHBondContact CB-O 3.24Å; V70-N72 VanDerWaalsContact CG2-O 3.28Å; V70-N72 WeakPolarHBondContact CG2-O 3.06Å; N72-V74 PolarHBondContact O-N 2.63Å; N72-T479 HydrophobicContact CB-CG2 3.97Å; N72-T479 PolarHBondContact N-O 3.48Å
73	E	96.5	Very high	97	Very high	91 Å²	91	47.9 Å²	47.9	43%	0.425	23%	0.233	S	C	.	.			trans	-64	131.7	174.2	-174.4	175.7	139.4	0	0	110.9	K75 T496 F497 Y498	E73-K75 WeakPolarHBondContact OE1-CE 3.39Å; E73-K75 IonicContact OE1-NZ 2.67Å; E73-K75 PolarHBondContact OE1-NZ 3.21Å; E73-T496 HydrophobicContact CG-CG2 4.11Å; E73-F497 WeakPolarHBondContact CA-O 3.43Å; E73-Y498 HydrophobicContact CG-CD1 4.07Å; E73-Y498 HydrophobicContact CG-CE1 4.14Å
74	V	97.6	Very high	97.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	117.4	-179.9	-179.3	0	0	0	0	110	V70 N72 L76 T479 L480 T496 F497	V70-V74 HydrophobicContact CB-CG2 4.38Å; V70-V74 HydrophobicContact CG1-CB 4.49Å; V70-V74 HydrophobicContact CG1-CG2 4.08Å; N72-V74 PolarHBondContact O-N 2.63Å; V74-L76 HydrophobicContact CG1-CD2 4.07Å; V74-T479 HydrophobicContact CG2-CG2 3.51Å; V74-L480 HydrophobicContact CG1-CD2 4.08Å; V74-L480 HydrophobicContact CG2-CD2 4.21Å; V74-T496 CarbonylContact O-C 3.43Å; V74-T496 VanDerWaalsContact O-CA 3.32Å; V74-T496 WeakPolarHBondContact O-CA 3.46Å; V74-F497 HydrophobicContact CB-CB 4.28Å; V74-F497 HydrophobicContact CB-CD2 4.2Å; V74-F497 HydrophobicContact CG1-CD2 4.39Å; V74-F497 PolarHBondContact N-O 2.97Å; V74-F497 PolarHBondContact O-N 2.89Å
75	K	97.9	Very high	97.5	Very high	84 Å²	84	42.6 Å²	42.6	37%	0.365	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	102.9	176.2	-66.1	-179.4	-179.3	162.1	0	110	E73 N77 K78 T496	E73-K75 WeakPolarHBondContact OE1-CE 3.39Å; E73-K75 IonicContact OE1-NZ 2.67Å; E73-K75 PolarHBondContact OE1-NZ 3.21Å; K75-N77 PolarHBondContact O-N 3.49Å; K75-K78 HydrophobicContact CB-CB 4.34Å; K75-K78 HydrophobicContact CB-CG 3.88Å; K75-K78 HydrophobicContact CD-CG 4.47Å; K75-K78 PolarHBondContact O-N 2.84Å; K75-T496 HydrophobicContact CG-CG2 3.73Å
76	L	98.2	Very high	97.5	Very high	1 Å²	1	41 Å²	41	1%	0.005	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-61	-31.5	-177.7	-64.6	-172	0	0	0	112.5	V74 K78 I79 L488 F491 L493 H495 F497	V74-L76 HydrophobicContact CG1-CD2 4.07Å; L76-K78 PolarHBondContact O-N 3.09Å; L76-K78 VanDerWaalsContact O-N 3.15Å; L76-I79 WeakPolarHBondContact O-CB 3.13Å; L76-I79 PolarHBondContact O-N 3.21Å; L76-L488 HydrophobicContact CD1-CD2 4.43Å; L76-F491 HydrophobicContact CD1-CB 4.44Å; L76-L493 CarbonylContact C-O 3.58Å; L76-L493 VanDerWaalsContact CB-O 3.22Å; L76-L493 WeakPolarHBondContact CB-O 3.3Å; L76-H495 WeakPolarHBondContact CB-O 3.46Å; L76-H495 HydrophobicContact CD1-CB 4.16Å; L76-H495 PolarHBondContact N-O 3.46Å; L76-F497 HydrophobicContact CD1-CE2 3.88Å; L76-F497 HydrophobicContact CD2-CE2 4.1Å; L76-F497 HydrophobicContact CG-CD2 4.41Å; L76-F497 HydrophobicContact CG-CE2 3.97Å
77	N	97.4	Very high	97.5	Very high	69 Å²	69	35.7 Å²	35.7	37%	0.369	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-64	-20.3	177.5	60.8	15.5	0	0	0	113.9	K75 Q80 L493 D494	K75-N77 PolarHBondContact O-N 3.49Å; N77-Q80 PolarHBondContact O-NE2 2.84Å; N77-Q80 VanDerWaalsContact O-NE2 3.16Å; N77-L493 WeakPolarHBondContact CA-O 3.45Å; N77-L493 PolarHBondContact N-O 3.46Å; N77-D494 HydrophobicContact CB-CB 4.2Å
78	K	97.6	Very high	97.5	Very high	131 Å²	131	34 Å²	34	57%	0.57	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-86.1	-17.6	176.9	-60.8	-52.4	-178.7	-179.5	0	112.7	K75 L76 Q80	K75-K78 HydrophobicContact CB-CB 4.34Å; K75-K78 HydrophobicContact CB-CG 3.88Å; K75-K78 HydrophobicContact CD-CG 4.47Å; K75-K78 PolarHBondContact O-N 2.84Å; L76-K78 PolarHBondContact O-N 3.09Å; L76-K78 VanDerWaalsContact O-N 3.15Å; K78-Q80 PolarHBondContact O-N 3.46Å
79	I	98.3	Very high	97.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.162	C	C	.	.			trans	-76.8	122.3	176.2	-49.3	-53.6	0	0	0	108.8	L76 V81 Y82 K273 S364 L366 M386	L76-I79 WeakPolarHBondContact O-CB 3.13Å; L76-I79 PolarHBondContact O-N 3.21Å; I79-V81 WeakPolarHBondContact CG2-O 3.24Å; I79-Y82 HydrophobicContact CB-CE2 3.98Å; I79-Y82 HydrophobicContact CG2-CD1 4.42Å; I79-Y82 HydrophobicContact CG2-CD2 3.77Å; I79-Y82 HydrophobicContact CG2-CE1 4.11Å; I79-Y82 HydrophobicContact CG2-CE2 3.39Å; I79-Y82 HydrophobicContact CG2-CG 4.27Å; I79-K273 WeakPolarHBondContact O-CE 3.29Å; I79-K273 PolarHBondContact O-NZ 2.97Å; I79-S364 WeakPolarHBondContact CA-O 3.34Å; I79-L366 HydrophobicContact CD1-CB 4.08Å; I79-L366 HydrophobicContact CG1-CB 4.24Å; I79-L366 HydrophobicContact CG2-CB 3.67Å; I79-M386 HydrophobicContact CD1-CE 3.18Å; I79-M386 HydrophobicContact CD1-SD 3.72Å
80	Q	98.4	Very high	97.6	Very high	85 Å²	85	32.1 Å²	32.1	40%	0.397	16%	0.156	S	C	.	.			trans	-110.1	-20.6	174.2	-57.3	-50.3	-34.2	0	0	112.2	N77 K78 K273 K274 S364	N77-Q80 PolarHBondContact O-NE2 2.84Å; N77-Q80 VanDerWaalsContact O-NE2 3.16Å; K78-Q80 PolarHBondContact O-N 3.46Å; Q80-K273 WeakPolarHBondContact O-CA 3.32Å; Q80-K274 PolarHBondContact O-N 3.34Å; Q80-S364 PolarHBondContact N-O 3.11Å
81	V	98.6	Very high	97.7	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127	-175.7	-169.2	0	0	0	0	109.3	I79 K274 F276 W360 S364 I365 L366	I79-V81 WeakPolarHBondContact CG2-O 3.24Å; V81-K274 CarbonylContact C-O 3.47Å; V81-K274 VanDerWaalsContact CA-O 3.29Å; V81-K274 WeakPolarHBondContact CA-O 3.32Å; V81-K274 HydrophobicContact CB-CB 4.44Å; V81-K274 HydrophobicContact CG1-CB 4.13Å; V81-K274 HydrophobicContact CG2-CB 4.18Å; V81-F276 HydrophobicContact CG1-CD1 3.59Å; V81-F276 HydrophobicContact CG1-CE1 3.59Å; V81-W360 HydrophobicContact CB-CD2 4.48Å; V81-W360 HydrophobicContact CB-CE3 4.48Å; V81-W360 HydrophobicContact CG1-CD2 3.81Å; V81-W360 HydrophobicContact CG1-CE3 3.48Å; V81-W360 VanDerWaalsContact CG1-CE3 3.48Å; V81-W360 HydrophobicContact CG1-CH2 4Å; V81-W360 HydrophobicContact CG1-CZ2 4.31Å; V81-W360 HydrophobicContact CG1-CZ3 3.57Å; V81-W360 HydrophobicContact CG2-CB 4.19Å; V81-W360 HydrophobicContact CG2-CD2 3.87Å; V81-W360 HydrophobicContact CG2-CE3 4.34Å; V81-W360 HydrophobicContact CG2-CG 3.8Å; V81-S364 PolarHBondContact N-O 3.34Å; V81-S364 VanDerWaalsContact N-O 3.13Å; V81-I365 HydrophobicContact CB-CG1 3.93Å; V81-I365 HydrophobicContact CG1-CG1 4.37Å; V81-I365 HydrophobicContact CG2-CG1 4.26Å; V81-I365 WeakPolarHBondContact O-CA 3.36Å; V81-L366 PolarHBondContact O-N 3.13Å
82	Y	98.8	Very high	97.7	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123	175.5	-70.9	-105.9	0	0	0	109	I79 L268 K273 K274 L275 F276 L366 F368	I79-Y82 HydrophobicContact CB-CE2 3.98Å; I79-Y82 HydrophobicContact CG2-CD1 4.42Å; I79-Y82 HydrophobicContact CG2-CD2 3.77Å; I79-Y82 HydrophobicContact CG2-CE1 4.11Å; I79-Y82 HydrophobicContact CG2-CE2 3.39Å; I79-Y82 HydrophobicContact CG2-CG 4.27Å; Y82-L268 HydrophobicContact CD1-CD1 4.01Å; Y82-L268 HydrophobicContact CD1-CD2 4.32Å; Y82-L268 HydrophobicContact CD2-CD1 4.22Å; Y82-L268 HydrophobicContact CD2-CD2 4.01Å; Y82-L268 HydrophobicContact CE1-CD2 4.07Å; Y82-L268 HydrophobicContact CE2-CD2 3.74Å; Y82-L268 HydrophobicContact CG-CD1 3.85Å; Y82-L268 HydrophobicContact CG-CD2 4.3Å; Y82-K273 HydrophobicContact CD2-CB 3.99Å; Y82-K273 HydrophobicContact CD2-CG 4.21Å; Y82-K273 HydrophobicContact CE2-CB 4.2Å; Y82-K273 HydrophobicContact CE2-CD 4.07Å; Y82-K273 HydrophobicContact CE2-CG 3.89Å; Y82-K274 PolarHBondContact N-O 3.15Å; Y82-L275 HydrophobicContact CG-CD2 4.49Å; Y82-L275 VanDerWaalsContact O-CA 3.3Å; Y82-L275 WeakPolarHBondContact O-CA 3.35Å; Y82-F276 PolarHBondContact O-N 3.26Å; Y82-L366 WeakPolarHBondContact CA-O 3.37Å; Y82-L366 HydrophobicContact CD1-CD2 4.28Å; Y82-L366 HydrophobicContact CE1-CD2 3.92Å; Y82-F368 HydrophobicContact CD1-CE2 4.13Å
83	G	98.5	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	151.1	177.7	0	0	0	0	0	111.9	F276 L366 Y367 F368	G83-F276 VanDerWaalsContact CA-CE2 3.46Å; G83-F276 WeakPolarHBondContact CA-O 3.24Å; G83-L366 PolarHBondContact N-O 2.95Å; G83-Y367 CarbonylContact O-C 3.56Å; G83-Y367 WeakPolarHBondContact O-CA 3.21Å; G83-F368 PolarHBondContact O-N 3.16Å
84	F	98.8	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	140.9	-178.3	-51.4	-86.7	0	0	0	111.1	T89 L90 F264 L265 L268 L275 F276 V277 I278 F302 F368 V485	F84-T89 HydrophobicContact CB-CG2 4.33Å; F84-L90 HydrophobicContact CB-CD1 3.78Å; F84-L90 HydrophobicContact CB-CD2 4.09Å; F84-L90 HydrophobicContact CB-CG 3.83Å; F84-L90 HydrophobicContact CD1-CD2 3.83Å; F84-L90 HydrophobicContact CD1-CG 4.44Å; F84-L90 HydrophobicContact CD2-CD2 4.46Å; F84-L90 HydrophobicContact CE1-CD2 4.41Å; F84-L90 HydrophobicContact CG-CD1 4.24Å; F84-L90 HydrophobicContact CG-CD2 3.87Å; F84-L90 HydrophobicContact CG-CG 4.18Å; F84-F264 AromaticContact CE1-CE1 3.92Å; F84-F264 HydrophobicContact CE1-CE1 3.92Å; F84-F264 AromaticContact CZ-CE1 3.88Å; F84-F264 HydrophobicContact CZ-CE1 3.88Å; F84-F264 HydrophobicContact CZ-CZ 4.4Å; F84-L265 HydrophobicContact CE2-CD2 4.07Å; F84-L265 HydrophobicContact CZ-CD2 4.2Å; F84-L268 HydrophobicContact CZ-CD1 4.17Å; F84-L275 HydrophobicContact CE2-CD2 4.29Å; F84-F276 PolarHBondContact N-O 2.79Å; F84-V277 CarbonylContact O-C 3.51Å; F84-V277 VanDerWaalsContact O-CA 3.29Å; F84-V277 WeakPolarHBondContact O-CA 3.16Å; F84-I278 PolarHBondContact O-N 2.83Å; F84-F302 HydrophobicContact CD2-CE1 4.13Å; F84-F368 CarbonylContact C-O 3.55Å; F84-F368 WeakPolarHBondContact CA-O 3.29Å; F84-F368 HydrophobicContact CD1-CB 3.87Å; F84-F368 AromaticContact CD1-CD2 3.95Å; F84-F368 HydrophobicContact CD1-CD2 3.95Å; F84-F368 HydrophobicContact CD1-CG 4.19Å; F84-F368 HydrophobicContact CE1-CB 4.43Å; F84-F368 AromaticContact CE1-CD2 3.68Å; F84-F368 HydrophobicContact CE1-CD2 3.68Å; F84-F368 HydrophobicContact CE1-CE2 4.29Å; F84-F368 HydrophobicContact CE1-CG 4.25Å; F84-V485 HydrophobicContact CD1-CG1 4.17Å; F84-V485 HydrophobicContact CE1-CB 4.32Å; F84-V485 HydrophobicContact CE1-CG1 4.17Å
85	D	98.3	Very high	97.8	Very high	9 Å²	9	26.4 Å²	26.4	5%	0.048	13%	0.132	C	C	.	.			trans	-68.7	162.9	146.4	-167.7	21.3	0	0	0	110.3	T89 L90 I278 K311 F368	D85-T89 HydrophobicContact CB-CG2 4.28Å; D85-T89 VanDerWaalsContact O-CB 3.28Å; D85-T89 WeakPolarHBondContact O-CB 3.48Å; D85-T89 WeakPolarHBondContact O-CG2 3.35Å; D85-L90 WeakPolarHBondContact O-CG 3.24Å; D85-I278 VanDerWaalsContact OD1-O 3.07Å; D85-K311 IonicContact OD1-NZ 2.91Å; D85-K311 PolarHBondContact OD1-NZ 3.34Å; D85-K311 IonicContact OD2-NZ 3.48Å; D85-K311 PolarHBondContact OD2-NZ 3.22Å; D85-F368 PolarHBondContact N-O 2.91Å
86	Y	98.2	Very high	97.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-91	-65.7	176	174	-109.5	0	0	0	111.9	T89 L90 A91 Y285 I286 G289 L290	Y86-T89 PolarHBondContact O-N 3.18Å; Y86-L90 HydrophobicContact CD2-CB 4.4Å; Y86-L90 PolarHBondContact O-N 3.14Å; Y86-A91 HydrophobicContact CD2-CB 4.25Å; Y86-A91 HydrophobicContact CE1-CB 4.13Å; Y86-A91 HydrophobicContact CE2-CB 3.58Å; Y86-A91 VanDerWaalsContact CZ-CB 3.5Å; Y86-A91 PolarHBondContact O-N 2.95Å; Y86-Y285 HydrophobicContact CD1-CD1 4.34Å; Y86-Y285 HydrophobicContact CD1-CE1 4.34Å; Y86-Y285 AromaticContact CE1-CD1 3.69Å; Y86-Y285 HydrophobicContact CE1-CD1 3.69Å; Y86-Y285 AromaticContact CE1-CE1 3.59Å; Y86-Y285 HydrophobicContact CE1-CE1 3.59Å; Y86-I286 HydrophobicContact CD1-CG1 3.92Å; Y86-I286 HydrophobicContact CD2-CG2 4.2Å; Y86-I286 HydrophobicContact CE1-CG1 4.36Å; Y86-I286 HydrophobicContact CE2-CG2 4.49Å; Y86-I286 HydrophobicContact CG-CG1 4.03Å; Y86-I286 HydrophobicContact CG-CG2 4.46Å; Y86-G289 WeakPolarHBondContact OH-CA 3.48Å; Y86-L290 HydrophobicContact CD2-CD1 4.38Å; Y86-L290 HydrophobicContact CD2-CD2 4.18Å; Y86-L290 HydrophobicContact CD2-CG 4.13Å; Y86-L290 HydrophobicContact CE2-CD1 4.49Å; Y86-L290 HydrophobicContact CE2-CD2 3.91Å; Y86-L290 HydrophobicContact CE2-CG 3.78Å
87	D	96.6	Very high	97.7	Very high	14 Å²	14	24.6 Å²	24.6	8%	0.075	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-64.4	135.1	-174.4	-67.4	-74.2	0	0	0	111.3	T89 Y93 F199 S281 Y285	D87-T89 PolarHBondContact O-N 2.92Å; D87-T89 PolarHBondContact O-OG1 3.46Å; D87-Y93 HydrophobicContact CB-CE2 4.34Å; D87-Y93 PolarHBondContact OD1-OH 2.76Å; D87-F199 HydrophobicContact CB-CE2 4.27Å; D87-S281 PolarHBondContact OD2-OG 3.42Å; D87-Y285 WeakPolarHBondContact OD1-CE1 3.46Å
88	Y	96.7	Very high	97.7	Very high	13 Å²	13	22.1 Å²	22.1	5%	0.051	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	12.7	-175.4	-67.4	-83.2	0	0	0	116.1	A91 H92 Y93 F198 F199 V390	Y88-A91 WeakPolarHBondContact CA-O 3.4Å; Y88-A91 PolarHBondContact N-O 2.97Å; Y88-H92 PolarHBondContact O-CE1 3.2Å; Y88-Y93 HydrophobicContact CD1-CD2 4.22Å; Y88-Y93 AromaticContact CD2-CD2 3.96Å; Y88-Y93 HydrophobicContact CD2-CD2 3.96Å; Y88-Y93 HydrophobicContact CD2-CE2 4.12Å; Y88-Y93 AromaticContact CE1-CD2 3.86Å; Y88-Y93 HydrophobicContact CE1-CD2 3.86Å; Y88-Y93 AromaticContact CE2-CD2 3.55Å; Y88-Y93 HydrophobicContact CE2-CD2 3.55Å; Y88-Y93 AromaticContact CE2-CE2 3.98Å; Y88-Y93 HydrophobicContact CE2-CE2 3.98Å; Y88-Y93 HydrophobicContact CG-CD2 4.28Å; Y88-Y93 AromaticContact CZ-CD2 3.51Å; Y88-F198 HydrophobicContact CD1-CB 3.98Å; Y88-F198 HydrophobicContact CD1-CD1 4.41Å; Y88-F198 AromaticContact CD1-CD2 3.44Å; Y88-F198 HydrophobicContact CD1-CD2 3.44Å; Y88-F198 VanDerWaalsContact CD1-CD2 3.44Å; Y88-F198 AromaticContact CD1-CE2 3.96Å; Y88-F198 HydrophobicContact CD1-CE2 3.96Å; Y88-F198 AromaticContact CD1-CG 3.7Å; Y88-F198 HydrophobicContact CD1-CG 3.7Å; Y88-F198 HydrophobicContact CD2-CB 3.9Å; Y88-F198 AromaticContact CD2-CD2 3.92Å; Y88-F198 HydrophobicContact CD2-CD2 3.92Å; Y88-F198 HydrophobicContact CD2-CG 4.27Å; Y88-F198 HydrophobicContact CE1-CB 3.5Å; Y88-F198 VanDerWaalsContact CE1-CB 3.5Å; Y88-F198 HydrophobicContact CE1-CD1 4.16Å; Y88-F198 AromaticContact CE1-CD2 3.87Å; Y88-F198 HydrophobicContact CE1-CD2 3.87Å; Y88-F198 AromaticContact CE1-CG 3.59Å; Y88-F198 HydrophobicContact CE1-CG 3.59Å; Y88-F198 HydrophobicContact CE2-CB 3.42Å; Y88-F198 VanDerWaalsContact CE2-CB 3.42Å; Y88-F198 HydrophobicContact CE2-CD2 4.31Å; Y88-F198 HydrophobicContact CE2-CG 4.19Å; Y88-F198 HydrophobicContact CG-CB 4.16Å; Y88-F198 AromaticContact CG-CD2 3.47Å; Y88-F198 HydrophobicContact CG-CD2 3.47Å; Y88-F198 VanDerWaalsContact CG-CD2 3.47Å; Y88-F198 HydrophobicContact CG-CE2 4.13Å; Y88-F198 HydrophobicContact CG-CG 4.04Å; Y88-F198 AromaticContact CZ-CG 3.84Å; Y88-F198 WeakPolarHBondContact OH-CB 3.15Å; Y88-F199 HydrophobicContact CD2-CE2 4.02Å; Y88-F199 HydrophobicContact CD2-CZ 4.27Å; Y88-F199 HydrophobicContact CE2-CD1 4.26Å; Y88-F199 AromaticContact CE2-CD2 3.99Å; Y88-F199 HydrophobicContact CE2-CD2 3.99Å; Y88-F199 AromaticContact CE2-CE1 3.94Å; Y88-F199 HydrophobicContact CE2-CE1 3.94Å; Y88-F199 AromaticContact CE2-CE2 3.64Å; Y88-F199 HydrophobicContact CE2-CE2 3.64Å; Y88-F199 HydrophobicContact CE2-CG 4.29Å; Y88-F199 AromaticContact CE2-CZ 3.62Å; Y88-F199 HydrophobicContact CE2-CZ 3.62Å; Y88-V390 WeakPolarHBondContact O-CG1 3.46Å
89	T	98.5	Very high	97.7	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-60.1	-178.9	-64.7	0	0	0	0	111.6	F84 D85 Y86 D87 F368 G369 D370 V390 V485	F84-T89 HydrophobicContact CB-CG2 4.33Å; D85-T89 HydrophobicContact CB-CG2 4.28Å; D85-T89 VanDerWaalsContact O-CB 3.28Å; D85-T89 WeakPolarHBondContact O-CB 3.48Å; D85-T89 WeakPolarHBondContact O-CG2 3.35Å; Y86-T89 PolarHBondContact O-N 3.18Å; D87-T89 PolarHBondContact O-N 2.92Å; D87-T89 PolarHBondContact O-OG1 3.46Å; T89-F368 HydrophobicContact CG2-CB 3.93Å; T89-G369 WeakPolarHBondContact OG1-CA 3.23Å; T89-D370 PolarHBondContact OG1-N 2.89Å; T89-D370 VanDerWaalsContact OG1-N 3.16Å; T89-V390 HydrophobicContact CG2-CG2 3.99Å; T89-V485 HydrophobicContact CG2-CG1 4.46Å
90	L	98.7	Very high	97.6	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-43.7	169.6	-67.4	175.5	0	0	0	110.5	F84 D85 Y86 L261 L265 V277 L290 F302 V485	F84-L90 HydrophobicContact CB-CD1 3.78Å; F84-L90 HydrophobicContact CB-CD2 4.09Å; F84-L90 HydrophobicContact CB-CG 3.83Å; F84-L90 HydrophobicContact CD1-CD2 3.83Å; F84-L90 HydrophobicContact CD1-CG 4.44Å; F84-L90 HydrophobicContact CD2-CD2 4.46Å; F84-L90 HydrophobicContact CE1-CD2 4.41Å; F84-L90 HydrophobicContact CG-CD1 4.24Å; F84-L90 HydrophobicContact CG-CD2 3.87Å; F84-L90 HydrophobicContact CG-CG 4.18Å; D85-L90 WeakPolarHBondContact O-CG 3.24Å; Y86-L90 HydrophobicContact CD2-CB 4.4Å; Y86-L90 PolarHBondContact O-N 3.14Å; L90-L261 HydrophobicContact CB-CD2 4.44Å; L90-L261 HydrophobicContact CD2-CD1 3.89Å; L90-L261 WeakPolarHBondContact O-CD2 3.38Å; L90-L265 HydrophobicContact CD2-CD2 4.5Å; L90-V277 HydrophobicContact CD1-CG2 3.96Å; L90-L290 HydrophobicContact CB-CD2 4.4Å; L90-L290 HydrophobicContact CD1-CD2 4.37Å; L90-F302 HydrophobicContact CD1-CZ 4.32Å; L90-V485 HydrophobicContact CD2-CG2 4.28Å
91	A	98.2	Very high	97.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-102.3	119.2	176.8	0	0	0	0	0	110.3	Y86 Y88 I255 L293	Y86-A91 HydrophobicContact CD2-CB 4.25Å; Y86-A91 HydrophobicContact CE1-CB 4.13Å; Y86-A91 HydrophobicContact CE2-CB 3.58Å; Y86-A91 VanDerWaalsContact CZ-CB 3.5Å; Y86-A91 PolarHBondContact O-N 2.95Å; Y88-A91 WeakPolarHBondContact CA-O 3.4Å; Y88-A91 PolarHBondContact N-O 2.97Å; A91-I255 HydrophobicContact CB-CG2 4.44Å; A91-L293 HydrophobicContact CB-CD1 3.76Å
92	H	97.3	Very high	97.6	Very high	18 Å²	18	16.8 Å²	16.8	8%	0.083	9%	0.089	C	C	.	.			trans	-101.8	147	170	-64.2	-88.1	0	0	0	109.2	Y88 A256	Y88-H92 PolarHBondContact O-CE1 3.2Å; H92-A256 HydrophobicContact CB-CB 4.23Å; H92-A256 WeakPolarHBondContact O-CB 3.33Å; H92-A256 PolarHBondContact O-N 3.46Å
93	Y	97	Very high	97.6	Very high	22 Å²	22	18.2 Å²	18.2	9%	0.086	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-106.4	154	-177.2	-58.4	-76.3	0	0	0	111.8	D87 Y88 L97 F199 V247 Y254 I255 Y285	D87-Y93 HydrophobicContact CB-CE2 4.34Å; D87-Y93 PolarHBondContact OD1-OH 2.76Å; Y88-Y93 HydrophobicContact CD1-CD2 4.22Å; Y88-Y93 AromaticContact CD2-CD2 3.96Å; Y88-Y93 HydrophobicContact CD2-CD2 3.96Å; Y88-Y93 HydrophobicContact CD2-CE2 4.12Å; Y88-Y93 AromaticContact CE1-CD2 3.86Å; Y88-Y93 HydrophobicContact CE1-CD2 3.86Å; Y88-Y93 AromaticContact CE2-CD2 3.55Å; Y88-Y93 HydrophobicContact CE2-CD2 3.55Å; Y88-Y93 AromaticContact CE2-CE2 3.98Å; Y88-Y93 HydrophobicContact CE2-CE2 3.98Å; Y88-Y93 HydrophobicContact CG-CD2 4.28Å; Y88-Y93 AromaticContact CZ-CD2 3.51Å; Y93-L97 HydrophobicContact CD1-CD2 3.45Å; Y93-L97 VanDerWaalsContact CD1-CD2 3.45Å; Y93-L97 HydrophobicContact CD2-CD2 4.12Å; Y93-L97 HydrophobicContact CE1-CD2 4.11Å; Y93-L97 HydrophobicContact CG-CD2 3.45Å; Y93-L97 VanDerWaalsContact CG-CD2 3.45Å; Y93-F199 HydrophobicContact CD2-CZ 4.35Å; Y93-F199 AromaticContact CE2-CZ 3.92Å; Y93-F199 HydrophobicContact CE2-CZ 3.92Å; Y93-V247 HydrophobicContact CE1-CG1 4.33Å; Y93-Y254 CarbonylContact C-O 3.25Å; Y93-Y254 VanDerWaalsContact CA-O 3.25Å; Y93-Y254 WeakPolarHBondContact CA-O 3.42Å; Y93-Y254 WeakPolarHBondContact CD1-O 3.35Å; Y93-I255 HydrophobicContact CD1-CG1 4.21Å; Y93-I255 HydrophobicContact CE1-CG1 4.06Å; Y93-Y285 VanDerWaalsContact CE1-OH 3.27Å; Y93-Y285 WeakPolarHBondContact CE1-OH 3.44Å; Y93-Y285 VanDerWaalsContact CZ-OH 3.27Å; Y93-Y285 VanDerWaalsContact OH-CE1 3.26Å; Y93-Y285 WeakPolarHBondContact OH-CE1 3.19Å; Y93-Y285 PolarHBondContact OH-OH 2.82Å
94	T	96.6	Very high	97.6	Very high	36 Å²	36	21.1 Å²	21.1	22%	0.221	11%	0.111	C	C	.	.			trans	-83.9	164.7	174.1	63	0	0	0	0	110.5	D96 L97 R253 Y254 A256	T94-D96 PolarHBondContact O-N 3.02Å; T94-L97 PolarHBondContact O-N 3.46Å; T94-L97 VanDerWaalsContact O-N 3.11Å; T94-R253 WeakPolarHBondContact CB-O 3.29Å; T94-R253 WeakPolarHBondContact CG2-O 3.37Å; T94-R253 PolarHBondContact OG1-O 3.26Å; T94-Y254 PolarHBondContact N-O 2.83Å; T94-Y254 WeakPolarHBondContact OG1-CA 3Å; T94-Y254 PolarHBondContact OG1-O 2.98Å; T94-A256 HydrophobicContact CG2-CB 4.29Å
95	S	94.9	Very high	97.5	Very high	65 Å²	65	21.1 Å²	21.1	46%	0.455	11%	0.111	S	C	.	.	H	α-helix	trans	-62.9	-19.4	174.7	54.5	0	0	0	0	113.3	L97 D98 E99	S95-L97 PolarHBondContact O-N 3.05Å; S95-D98 WeakPolarHBondContact O-CB 3.3Å; S95-D98 PolarHBondContact O-N 2.95Å; S95-E99 PolarHBondContact O-N 3.22Å
96	D	97.4	Very high	97.6	Very high	47 Å²	47	21.8 Å²	21.8	25%	0.251	11%	0.112	S	C	.	.	H	α-helix	trans	-58.9	-33.5	172.6	-74.3	-86.1	0	0	0	112	T94 F100 R253 Y254	T94-D96 PolarHBondContact O-N 3.02Å; D96-F100 WeakPolarHBondContact O-CB 3.45Å; D96-F100 PolarHBondContact O-N 2.78Å; D96-R253 HydrophobicContact CB-CG 4.02Å; D96-R253 IonicContact OD1-CZ 3.96Å; D96-R253 IonicContact OD1-NE 2.75Å; D96-R253 PolarHBondContact OD1-NE 3.07Å; D96-R253 IonicContact OD1-NH2 3.59Å; D96-R253 PolarHBondContact OD1-NH2 3.02Å; D96-Y254 HydrophobicContact CB-CD1 3.9Å; D96-Y254 HydrophobicContact CB-CE1 3.91Å
97	L	97	Very high	97.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-70.3	-41.2	178.2	-176.3	58.7	0	0	0	111.2	Y93 T94 S95 E99 F100 I101 F199 L243 V247 Y254	Y93-L97 HydrophobicContact CD1-CD2 3.45Å; Y93-L97 VanDerWaalsContact CD1-CD2 3.45Å; Y93-L97 HydrophobicContact CD2-CD2 4.12Å; Y93-L97 HydrophobicContact CE1-CD2 4.11Å; Y93-L97 HydrophobicContact CG-CD2 3.45Å; Y93-L97 VanDerWaalsContact CG-CD2 3.45Å; T94-L97 PolarHBondContact O-N 3.46Å; T94-L97 VanDerWaalsContact O-N 3.11Å; S95-L97 PolarHBondContact O-N 3.05Å; L97-E99 VanDerWaalsContact C-N 3.34Å; L97-F100 HydrophobicContact CD1-CD1 4.32Å; L97-F100 WeakPolarHBondContact O-CB 3.5Å; L97-F100 PolarHBondContact O-N 3.22Å; L97-I101 HydrophobicContact CD1-CD1 4.47Å; L97-I101 HydrophobicContact CG-CD1 4.17Å; L97-I101 VanDerWaalsContact O-CG1 3.3Å; L97-I101 WeakPolarHBondContact O-CG1 3.32Å; L97-I101 PolarHBondContact O-N 3.03Å; L97-F199 HydrophobicContact CD2-CE1 4Å; L97-L243 HydrophobicContact CD1-CG 4.28Å; L97-V247 HydrophobicContact CD1-CG2 3.58Å; L97-V247 HydrophobicContact CD2-CG2 4.23Å; L97-Y254 HydrophobicContact CB-CD1 3.98Å; L97-Y254 HydrophobicContact CD1-CD1 4.22Å
98	D	96.6	Very high	97.6	Very high	17 Å²	17	24.9 Å²	24.9	9%	0.091	13%	0.126	C	C	.	.	H	α-helix	trans	-61.5	-45.3	175.8	-72.6	-18.5	0	0	0	111.1	S95 I101 F102 Y124 P202	S95-D98 WeakPolarHBondContact O-CB 3.3Å; S95-D98 PolarHBondContact O-N 2.95Å; D98-I101 PolarHBondContact O-N 3.09Å; D98-F102 WeakPolarHBondContact O-CB 3.23Å; D98-F102 PolarHBondContact O-N 3.04Å; D98-Y124 HydrophobicContact CB-CD1 4.07Å; D98-Y124 HydrophobicContact CB-CE1 3.38Å; D98-Y124 HydrophobicContact CB-CE2 4.19Å; D98-Y124 VanDerWaalsContact CB-CZ 3.45Å; D98-Y124 WeakPolarHBondContact CB-OH 3.45Å; D98-Y124 PolarHBondContact OD2-OH 3.4Å; D98-P202 HydrophobicContact CB-CG 3.74Å; D98-P202 WeakPolarHBondContact O-CB 3.36Å; D98-P202 WeakPolarHBondContact O-CG 3.4Å
99	E	97.7	Very high	97.7	Very high	79 Å²	79	24.3 Å²	24.3	37%	0.369	12%	0.124	S	C	.	.	H	α-helix	trans	-61.9	-42.3	176.1	-175.6	-179.5	168.3	0	0	111.7	S95 L97 F102 N103 Y124	S95-E99 PolarHBondContact O-N 3.22Å; L97-E99 VanDerWaalsContact C-N 3.34Å; E99-F102 PolarHBondContact O-N 2.99Å; E99-N103 WeakPolarHBondContact CG-ND2 3.41Å; E99-N103 VanDerWaalsContact O-CB 3.3Å; E99-N103 WeakPolarHBondContact O-CB 3.22Å; E99-N103 VanDerWaalsContact O-CG 3.24Å; E99-N103 PolarHBondContact O-N 3.31Å; E99-N103 PolarHBondContact O-ND2 2.98Å; E99-Y124 HydrophobicContact CB-CD1 4.23Å
100	F	97.8	Very high	97.7	Very high	26 Å²	26	25 Å²	25	11%	0.114	13%	0.128	C	C	.	.	H	α-helix	trans	-58.8	-50.1	174.6	171.9	-100.1	0	0	0	111.8	D96 L97 F102 N103 E104 V237 L242 T246 Y254	D96-F100 WeakPolarHBondContact O-CB 3.45Å; D96-F100 PolarHBondContact O-N 2.78Å; L97-F100 HydrophobicContact CD1-CD1 4.32Å; L97-F100 WeakPolarHBondContact O-CB 3.5Å; L97-F100 PolarHBondContact O-N 3.22Å; F100-F102 VanDerWaalsContact C-N 3.31Å; F100-F102 PolarHBondContact O-N 2.98Å; F100-N103 PolarHBondContact O-N 2.84Å; F100-E104 HydrophobicContact CD2-CG 3.89Å; F100-E104 HydrophobicContact CE1-CG 4.11Å; F100-E104 HydrophobicContact CE2-CG 3.41Å; F100-E104 VanDerWaalsContact CE2-CG 3.41Å; F100-E104 HydrophobicContact CG-CG 4.43Å; F100-E104 HydrophobicContact CZ-CG 3.53Å; F100-E104 WeakPolarHBondContact O-CB 3.4Å; F100-E104 WeakPolarHBondContact O-CG 3.32Å; F100-E104 PolarHBondContact O-N 2.77Å; F100-V237 HydrophobicContact CE1-CG1 4.1Å; F100-L242 HydrophobicContact CZ-CD1 4.39Å; F100-L242 HydrophobicContact CZ-CD2 4.26Å; F100-L242 HydrophobicContact CZ-CG 3.97Å; F100-T246 HydrophobicContact CD1-CG2 4.25Å; F100-T246 HydrophobicContact CD2-CG2 3.98Å; F100-T246 HydrophobicContact CE1-CG2 4.05Å; F100-T246 HydrophobicContact CE2-CG2 3.77Å; F100-T246 HydrophobicContact CG-CG2 4.21Å; F100-T246 HydrophobicContact CZ-CG2 3.81Å; F100-T246 WeakPolarHBondContact CZ-OG1 3.45Å; F100-Y254 HydrophobicContact CB-CE1 4.17Å
101	I	97.8	Very high	97.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.5	-44.4	179.3	-65.8	164.1	0	0	0	110.6	L97 D98 S105 F199 P202 V234 V237 L243	L97-I101 HydrophobicContact CD1-CD1 4.47Å; L97-I101 HydrophobicContact CG-CD1 4.17Å; L97-I101 VanDerWaalsContact O-CG1 3.3Å; L97-I101 WeakPolarHBondContact O-CG1 3.32Å; L97-I101 PolarHBondContact O-N 3.03Å; D98-I101 PolarHBondContact O-N 3.09Å; I101-S105 VanDerWaalsContact O-CB 3.23Å; I101-S105 WeakPolarHBondContact O-CB 3.31Å; I101-S105 PolarHBondContact O-N 2.88Å; I101-S105 VanDerWaalsContact O-N 3.11Å; I101-S105 PolarHBondContact O-OG 2.87Å; I101-F199 HydrophobicContact CD1-CD1 3.91Å; I101-P202 HydrophobicContact CB-CB 4Å; I101-P202 HydrophobicContact CB-CG 4.09Å; I101-P202 HydrophobicContact CD1-CG 4.4Å; I101-P202 HydrophobicContact CG2-CB 3.83Å; I101-P202 HydrophobicContact CG2-CG 4.18Å; I101-V234 HydrophobicContact CG2-CG1 4.24Å; I101-V237 HydrophobicContact CG1-CG1 4.37Å; I101-L243 HydrophobicContact CD1-CD1 3.75Å; I101-L243 HydrophobicContact CG1-CD1 3.9Å
102	F	98.4	Very high	97.6	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-52.4	177.5	178.4	-84.8	0	0	0	111.1	D98 E99 F100 S105 R106 Y122 Y124 P202 N205 L206	D98-F102 WeakPolarHBondContact O-CB 3.23Å; D98-F102 PolarHBondContact O-N 3.04Å; E99-F102 PolarHBondContact O-N 2.99Å; F100-F102 VanDerWaalsContact C-N 3.31Å; F100-F102 PolarHBondContact O-N 2.98Å; F102-S105 PolarHBondContact O-N 3.14Å; F102-R106 HydrophobicContact CE1-CB 4.49Å; F102-R106 WeakPolarHBondContact O-CB 3.38Å; F102-R106 PolarHBondContact O-N 3.45Å; F102-Y122 WeakPolarHBondContact CE1-O 3.4Å; F102-Y124 HydrophobicContact CB-CD2 4.06Å; F102-Y124 HydrophobicContact CB-CG 4.24Å; F102-Y124 AromaticContact CD2-CD2 3.97Å; F102-Y124 HydrophobicContact CD2-CD2 3.97Å; F102-Y124 HydrophobicContact CG-CD2 4.14Å; F102-Y124 HydrophobicContact CG-CG 4.39Å; F102-P202 HydrophobicContact CB-CB 4.1Å; F102-N205 HydrophobicContact CD2-CB 4.15Å; F102-N205 HydrophobicContact CE2-CB 4.19Å; F102-N205 WeakPolarHBondContact CE2-OD1 3.37Å; F102-L206 HydrophobicContact CD2-CB 3.81Å; F102-L206 VanDerWaalsContact CE2-CA 3.46Å; F102-L206 HydrophobicContact CE2-CB 3.73Å; F102-L206 HydrophobicContact CE2-CD1 4.02Å; F102-L206 HydrophobicContact CE2-CG 4.48Å; F102-L206 HydrophobicContact CZ-CD1 4.11Å
103	N	98.3	Very high	97.6	Very high	32 Å²	32	38.4 Å²	38.4	17%	0.171	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-47.7	-175.9	-75	-21.1	0	0	0	112.1	E99 F100 S105 R106 N107	E99-N103 WeakPolarHBondContact CG-ND2 3.41Å; E99-N103 VanDerWaalsContact O-CB 3.3Å; E99-N103 WeakPolarHBondContact O-CB 3.22Å; E99-N103 VanDerWaalsContact O-CG 3.24Å; E99-N103 PolarHBondContact O-N 3.31Å; E99-N103 PolarHBondContact O-ND2 2.98Å; F100-N103 PolarHBondContact O-N 2.84Å; N103-S105 VanDerWaalsContact C-N 3.31Å; N103-S105 PolarHBondContact O-N 2.91Å; N103-R106 PolarHBondContact O-N 2.84Å; N103-R106 PolarHBondContact OD1-NH1 3.2Å; N103-R106 PolarHBondContact OD1-NH2 2.9Å; N103-N107 WeakPolarHBondContact O-CB 3.45Å; N103-N107 PolarHBondContact O-N 2.95Å; N103-N107 PolarHBondContact O-ND2 3.19Å; N103-N107 PolarHBondContact O-OD1 2.94Å
104	E	98.1	Very high	97.6	Very high	62 Å²	62	45.2 Å²	45.2	29%	0.29	22%	0.222	S	C	.	.	H	α-helix	trans	-61.5	-40.2	178.2	-72.8	-59.4	124.9	0	0	112.1	F100 W108 V237 L242	F100-E104 HydrophobicContact CD2-CG 3.89Å; F100-E104 HydrophobicContact CE1-CG 4.11Å; F100-E104 HydrophobicContact CE2-CG 3.41Å; F100-E104 VanDerWaalsContact CE2-CG 3.41Å; F100-E104 HydrophobicContact CG-CG 4.43Å; F100-E104 HydrophobicContact CZ-CG 3.53Å; F100-E104 WeakPolarHBondContact O-CB 3.4Å; F100-E104 WeakPolarHBondContact O-CG 3.32Å; F100-E104 PolarHBondContact O-N 2.77Å; E104-W108 WeakPolarHBondContact O-CB 3.42Å; E104-W108 PolarHBondContact O-N 2.84Å; E104-W108 VanDerWaalsContact O-N 3.13Å; E104-V237 HydrophobicContact CB-CG2 3.78Å; E104-L242 HydrophobicContact CG-CD2 4.36Å
105	S	98.4	Very high	97.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.1	-44.7	178.1	-56.5	0	0	0	0	111.4	I101 F102 N103 W108 L109 V234	I101-S105 VanDerWaalsContact O-CB 3.23Å; I101-S105 WeakPolarHBondContact O-CB 3.31Å; I101-S105 PolarHBondContact O-N 2.88Å; I101-S105 VanDerWaalsContact O-N 3.11Å; I101-S105 PolarHBondContact O-OG 2.87Å; F102-S105 PolarHBondContact O-N 3.14Å; N103-S105 VanDerWaalsContact C-N 3.31Å; N103-S105 PolarHBondContact O-N 2.91Å; S105-W108 PolarHBondContact O-N 3.31Å; S105-L109 WeakPolarHBondContact O-CG 3.23Å; S105-L109 PolarHBondContact O-N 2.97Å; S105-L109 VanDerWaalsContact O-N 3.1Å; S105-V234 WeakPolarHBondContact OG-CG2 3.44Å
106	R	98.5	Very high	97.9	Very high	22 Å²	22	43.5 Å²	43.5	8%	0.083	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-50.9	176.8	-177.8	-168.1	67.2	-171.2	-3.9	111.3	F102 N103 W108 L109 V110 I119 L120 Y122 D123 L206	F102-R106 HydrophobicContact CE1-CB 4.49Å; F102-R106 WeakPolarHBondContact O-CB 3.38Å; F102-R106 PolarHBondContact O-N 3.45Å; N103-R106 PolarHBondContact O-N 2.84Å; N103-R106 PolarHBondContact OD1-NH1 3.2Å; N103-R106 PolarHBondContact OD1-NH2 2.9Å; R106-W108 VanDerWaalsContact C-N 3.32Å; R106-W108 PolarHBondContact O-N 2.85Å; R106-L109 PolarHBondContact O-N 3Å; R106-V110 PolarHBondContact O-N 3.16Å; R106-I119 WeakPolarHBondContact CD-O 3.29Å; R106-I119 HydrophobicContact CG-CG2 3.94Å; R106-L120 HydrophobicContact CG-CD2 4.48Å; R106-L120 PolarHBondContact NH1-O 3.23Å; R106-L120 VanDerWaalsContact NH1-O 3.15Å; R106-Y122 PolarHBondContact NH1-O 3.09Å; R106-D123 IonicContact NH1-OD1 3.52Å; R106-L206 HydrophobicContact CB-CD1 3.85Å; R106-L206 HydrophobicContact CB-CD2 4.43Å; R106-L206 HydrophobicContact CG-CD1 4.08Å
107	N	98.4	Very high	97.9	Very high	43 Å²	43	48.5 Å²	48.5	23%	0.23	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-42.3	-178.2	-63.7	-3.5	0	0	0	110.7	N103 L109 V110 E111 L120	N103-N107 WeakPolarHBondContact O-CB 3.45Å; N103-N107 PolarHBondContact O-N 2.95Å; N103-N107 PolarHBondContact O-ND2 3.19Å; N103-N107 PolarHBondContact O-OD1 2.94Å; N107-L109 PolarHBondContact O-N 3.05Å; N107-V110 PolarHBondContact O-N 3.14Å; N107-E111 WeakPolarHBondContact O-CB 2.8Å; N107-E111 WeakPolarHBondContact O-CG 3.06Å; N107-E111 PolarHBondContact O-N 3.04Å; N107-L120 WeakPolarHBondContact OD1-CD2 3.21Å
108	W	98	Very high	97.9	Very high	37 Å²	37	53.3 Å²	53.3	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-39.8	176.8	-177.1	80.8	0	0	0	113.2	E104 S105 R106 V110 E111 Q112 M113 T232 A233	E104-W108 WeakPolarHBondContact O-CB 3.42Å; E104-W108 PolarHBondContact O-N 2.84Å; E104-W108 VanDerWaalsContact O-N 3.13Å; S105-W108 PolarHBondContact O-N 3.31Å; R106-W108 VanDerWaalsContact C-N 3.32Å; R106-W108 PolarHBondContact O-N 2.85Å; W108-V110 VanDerWaalsContact C-N 3.3Å; W108-V110 PolarHBondContact O-N 3.3Å; W108-E111 PolarHBondContact O-N 2.54Å; W108-Q112 HydrophobicContact CD2-CB 4.27Å; W108-Q112 HydrophobicContact CD2-CG 4.46Å; W108-Q112 HydrophobicContact CG-CB 4.37Å; W108-Q112 HydrophobicContact CG-CG 4.09Å; W108-Q112 HydrophobicContact CZ2-CB 4.28Å; W108-Q112 VanDerWaalsContact O-CB 3.32Å; W108-Q112 WeakPolarHBondContact O-CB 3.19Å; W108-Q112 PolarHBondContact O-N 3.24Å; W108-M113 HydrophobicContact CE3-CG 4Å; W108-M113 HydrophobicContact CH2-CG 3.57Å; W108-M113 HydrophobicContact CH2-SD 3.66Å; W108-M113 HydrophobicContact CZ2-CG 4.33Å; W108-M113 HydrophobicContact CZ2-SD 4.39Å; W108-M113 HydrophobicContact CZ3-CG 3.37Å; W108-M113 HydrophobicContact CZ3-SD 4.07Å; W108-T232 HydrophobicContact CH2-CG2 4.06Å; W108-A233 HydrophobicContact CD2-CB 4.38Å; W108-A233 HydrophobicContact CE3-CB 3.4Å; W108-A233 HydrophobicContact CZ3-CB 3.77Å
109	L	98.6	Very high	98	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-41.5	175.7	-71.5	170.1	0	0	0	111.6	S105 R106 N107 M113 K114 Y115 L206 I210 D229 V230 A233	S105-L109 WeakPolarHBondContact O-CG 3.23Å; S105-L109 PolarHBondContact O-N 2.97Å; S105-L109 VanDerWaalsContact O-N 3.1Å; R106-L109 PolarHBondContact O-N 3Å; N107-L109 PolarHBondContact O-N 3.05Å; L109-M113 HydrophobicContact CD2-CB 4.38Å; L109-M113 HydrophobicContact CD2-CG 4.2Å; L109-M113 CarbonylContact O-C 3.59Å; L109-M113 VanDerWaalsContact O-C 3.25Å; L109-M113 VanDerWaalsContact O-CA 3.31Å; L109-M113 WeakPolarHBondContact O-CA 3.37Å; L109-M113 VanDerWaalsContact O-CB 3.26Å; L109-M113 WeakPolarHBondContact O-CB 3.28Å; L109-M113 PolarHBondContact O-N 2.82Å; L109-M113 VanDerWaalsContact O-N 3.15Å; L109-K114 PolarHBondContact O-N 3.25Å; L109-K114 VanDerWaalsContact O-N 3.09Å; L109-Y115 HydrophobicContact CB-CD2 4.18Å; L109-Y115 HydrophobicContact CB-CG 4.15Å; L109-Y115 HydrophobicContact CD2-CD2 4.37Å; L109-Y115 HydrophobicContact CD2-CE2 4.17Å; L109-Y115 PolarHBondContact O-N 3.07Å; L109-Y115 VanDerWaalsContact O-N 3.1Å; L109-L206 HydrophobicContact CD1-CD2 3.85Å; L109-L206 HydrophobicContact CD1-CG 4.31Å; L109-I210 HydrophobicContact CD1-CD1 3.63Å; L109-D229 HydrophobicContact CD2-CB 4.04Å; L109-V230 HydrophobicContact CD1-CG2 3.87Å; L109-A233 HydrophobicContact CD1-CB 4.39Å; L109-A233 HydrophobicContact CD2-CB 3.95Å; L109-A233 HydrophobicContact CG-CB 3.89Å
110	V	98.6	Very high	98	Very high	14 Å²	14	52 Å²	52	9%	0.085	25%	0.247	C	C	.	.	H	α-helix	trans	-69.2	-52.6	177.9	174.9	0	0	0	0	110.7	R106 N107 W108 K114 E117 I119 L120	R106-V110 PolarHBondContact O-N 3.16Å; N107-V110 PolarHBondContact O-N 3.14Å; W108-V110 VanDerWaalsContact C-N 3.3Å; W108-V110 PolarHBondContact O-N 3.3Å; V110-K114 VanDerWaalsContact O-CA 3.31Å; V110-K114 WeakPolarHBondContact O-CA 3.47Å; V110-K114 PolarHBondContact O-N 2.91Å; V110-E117 HydrophobicContact CG1-CG 4.08Å; V110-I119 HydrophobicContact CG2-CB 4.43Å; V110-L120 HydrophobicContact CB-CD2 4.3Å; V110-L120 HydrophobicContact CG1-CD1 4.26Å; V110-L120 HydrophobicContact CG1-CG 4.35Å; V110-L120 HydrophobicContact CG2-CD2 3.98Å; V110-L120 HydrophobicContact CG2-CG 4.09Å
111	E	97.8	Very high	98	Very high	111 Å²	111	57 Å²	57	52%	0.519	27%	0.274	S	S	.	.	H	α-helix	trans	-69.5	-44.1	-172.9	-69.1	172.7	-172.5	0	0	113.4	N107 W108 K114	N107-E111 WeakPolarHBondContact O-CB 2.8Å; N107-E111 WeakPolarHBondContact O-CG 3.06Å; N107-E111 PolarHBondContact O-N 3.04Å; W108-E111 PolarHBondContact O-N 2.54Å; E111-K114 PolarHBondContact O-NZ 3.15Å
112	Q	97.2	Very high	98	Very high	116 Å²	116	58.3 Å²	58.3	54%	0.542	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-38.5	-169.8	-53.5	-56.7	-48.2	0	0	112.4	W108	W108-Q112 HydrophobicContact CD2-CB 4.27Å; W108-Q112 HydrophobicContact CD2-CG 4.46Å; W108-Q112 HydrophobicContact CG-CB 4.37Å; W108-Q112 HydrophobicContact CG-CG 4.09Å; W108-Q112 HydrophobicContact CZ2-CB 4.28Å; W108-Q112 VanDerWaalsContact O-CB 3.32Å; W108-Q112 WeakPolarHBondContact O-CB 3.19Å; W108-Q112 PolarHBondContact O-N 3.24Å
113	M	96.9	Very high	98	Very high	75 Å²	75	63.5 Å²	63.5	37%	0.369	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	0.2	-179.8	-57.6	-67.9	-72.9	0	0	113.1	W108 L109 Y115 D229	W108-M113 HydrophobicContact CE3-CG 4Å; W108-M113 HydrophobicContact CH2-CG 3.57Å; W108-M113 HydrophobicContact CH2-SD 3.66Å; W108-M113 HydrophobicContact CZ2-CG 4.33Å; W108-M113 HydrophobicContact CZ2-SD 4.39Å; W108-M113 HydrophobicContact CZ3-CG 3.37Å; W108-M113 HydrophobicContact CZ3-SD 4.07Å; L109-M113 HydrophobicContact CD2-CB 4.38Å; L109-M113 HydrophobicContact CD2-CG 4.2Å; L109-M113 CarbonylContact O-C 3.59Å; L109-M113 VanDerWaalsContact O-C 3.25Å; L109-M113 VanDerWaalsContact O-CA 3.31Å; L109-M113 WeakPolarHBondContact O-CA 3.37Å; L109-M113 VanDerWaalsContact O-CB 3.26Å; L109-M113 WeakPolarHBondContact O-CB 3.28Å; L109-M113 PolarHBondContact O-N 2.82Å; L109-M113 VanDerWaalsContact O-N 3.15Å; M113-Y115 HydrophobicContact CB-CD2 3.8Å; M113-Y115 HydrophobicContact CB-CE2 4.03Å; M113-Y115 PolarHBondContact O-N 3.13Å; M113-D229 HydrophobicContact CE-CB 4.35Å; M113-D229 WeakPolarHBondContact CE-OD1 3.32Å
114	K	97	Very high	98	Very high	166 Å²	166	63.6 Å²	63.6	72%	0.722	31%	0.306	S	S	*	.			trans	58.4	33.8	176.2	-52.2	-53.7	-176.6	-167.2	0	113.5	L109 V110 E111	L109-K114 PolarHBondContact O-N 3.25Å; L109-K114 VanDerWaalsContact O-N 3.09Å; V110-K114 VanDerWaalsContact O-CA 3.31Å; V110-K114 WeakPolarHBondContact O-CA 3.47Å; V110-K114 PolarHBondContact O-N 2.91Å; E111-K114 PolarHBondContact O-NZ 3.15Å
115	Y	98.3	Very high	97.8	Very high	24 Å²	24	63.9 Å²	63.9	9%	0.094	31%	0.312	C	S	.	.			trans	-63	150.3	166.2	-86.1	-115.7	0	0	0	110.1	L109 M113 E117 I119 I210 F214 D229	L109-Y115 HydrophobicContact CB-CD2 4.18Å; L109-Y115 HydrophobicContact CB-CG 4.15Å; L109-Y115 HydrophobicContact CD2-CD2 4.37Å; L109-Y115 HydrophobicContact CD2-CE2 4.17Å; L109-Y115 PolarHBondContact O-N 3.07Å; L109-Y115 VanDerWaalsContact O-N 3.1Å; M113-Y115 HydrophobicContact CB-CD2 3.8Å; M113-Y115 HydrophobicContact CB-CE2 4.03Å; M113-Y115 PolarHBondContact O-N 3.13Å; Y115-E117 PolarHBondContact O-N 2.8Å; Y115-I119 HydrophobicContact CD1-CD1 3.79Å; Y115-I119 HydrophobicContact CG-CD1 4.42Å; Y115-I210 HydrophobicContact CD1-CD1 4.35Å; Y115-I210 HydrophobicContact CD1-CG2 4.04Å; Y115-I210 HydrophobicContact CE1-CD1 4.15Å; Y115-I210 HydrophobicContact CE1-CG2 3.7Å; Y115-F214 AromaticContact CD1-CZ 3.95Å; Y115-F214 HydrophobicContact CD1-CZ 3.95Å; Y115-F214 HydrophobicContact CE1-CE2 4.18Å; Y115-F214 AromaticContact CE1-CZ 3.75Å; Y115-F214 HydrophobicContact CE1-CZ 3.75Å; Y115-D229 HydrophobicContact CE2-CB 4.19Å; Y115-D229 WeakPolarHBondContact OH-CB 3.47Å; Y115-D229 PolarHBondContact OH-OD2 3.2Å
116	P	98.2	Very high	97.5	Very high	41 Å²	41	68.9 Å²	68.9	27%	0.266	34%	0.335	S	S	.	.			trans	-53.1	134.7	-179.7	-30.4	38.3	0	0	0	113.3	E118 I119 F213 F214 I219	P116-E118 WeakPolarHBondContact CB-OE2 3.36Å; P116-E118 PolarHBondContact O-N 2.9Å; P116-I119 HydrophobicContact CB-CD1 4.43Å; P116-I119 WeakPolarHBondContact O-CB 3.21Å; P116-I119 PolarHBondContact O-N 2.92Å; P116-I119 VanDerWaalsContact O-N 3.12Å; P116-F213 HydrophobicContact CB-CE1 3.65Å; P116-F213 HydrophobicContact CB-CZ 3.9Å; P116-F213 HydrophobicContact CG-CE1 3.82Å; P116-F214 HydrophobicContact CG-CE1 4.35Å; P116-I219 HydrophobicContact CG-CD1 4.5Å
117	E	98.1	Very high	97.4	Very high	151 Å²	151	68.7 Å²	68.7	71%	0.706	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-60.9	-27.7	-176.5	-69.4	-175.5	177.6	0	0	112.4	V110 Y115 I119 L120	V110-E117 HydrophobicContact CG1-CG 4.08Å; Y115-E117 PolarHBondContact O-N 2.8Å; E117-I119 PolarHBondContact O-N 3.02Å; E117-I119 VanDerWaalsContact O-N 3.08Å; E117-L120 VanDerWaalsContact O-CB 3.24Å; E117-L120 WeakPolarHBondContact O-CB 3.42Å; E117-L120 VanDerWaalsContact O-CG 3.31Å; E117-L120 WeakPolarHBondContact O-CG 3.23Å; E117-L120 PolarHBondContact O-N 3.42Å
118	E	98.1	Very high	97.1	Very high	101 Å²	101	66.8 Å²	66.8	47%	0.472	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-62.5	-18.3	179.2	-60.1	91.2	154.6	0	0	113.2	P116 L120 N121 F213	P116-E118 WeakPolarHBondContact CB-OE2 3.36Å; P116-E118 PolarHBondContact O-N 2.9Å; E118-L120 PolarHBondContact O-N 3.2Å; E118-N121 WeakPolarHBondContact O-CB 3.38Å; E118-N121 PolarHBondContact O-N 2.78Å; E118-N121 VanDerWaalsContact O-N 3.17Å; E118-N121 PolarHBondContact O-ND2 3.19Å; E118-N121 VanDerWaalsContact O-ND2 3.07Å; E118-F213 HydrophobicContact CB-CE2 3.53Å; E118-F213 HydrophobicContact CB-CZ 3.81Å; E118-F213 HydrophobicContact CG-CE2 4.45Å; E118-F213 HydrophobicContact CG-CZ 4.5Å
119	I	97.8	Very high	96.8	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.005	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-63.6	-25.5	172.8	-68.9	166.1	0	0	0	111.2	R106 V110 Y115 P116 E117 N121 Y122 I210 F213 F214	R106-I119 WeakPolarHBondContact CD-O 3.29Å; R106-I119 HydrophobicContact CG-CG2 3.94Å; V110-I119 HydrophobicContact CG2-CB 4.43Å; Y115-I119 HydrophobicContact CD1-CD1 3.79Å; Y115-I119 HydrophobicContact CG-CD1 4.42Å; P116-I119 HydrophobicContact CB-CD1 4.43Å; P116-I119 WeakPolarHBondContact O-CB 3.21Å; P116-I119 PolarHBondContact O-N 2.92Å; P116-I119 VanDerWaalsContact O-N 3.12Å; E117-I119 PolarHBondContact O-N 3.02Å; E117-I119 VanDerWaalsContact O-N 3.08Å; I119-N121 PolarHBondContact O-N 2.85Å; I119-N121 VanDerWaalsContact O-N 3.08Å; I119-Y122 PolarHBondContact O-N 3.11Å; I119-Y122 VanDerWaalsContact O-N 3.09Å; I119-I210 HydrophobicContact CD1-CG1 4.31Å; I119-I210 HydrophobicContact CD1-CG2 4.33Å; I119-I210 HydrophobicContact CG2-CG1 4.25Å; I119-F213 HydrophobicContact CD1-CD1 4.03Å; I119-F213 HydrophobicContact CD1-CE1 4.44Å; I119-F213 HydrophobicContact CG1-CB 4.34Å; I119-F213 HydrophobicContact CG1-CD1 3.79Å; I119-F213 HydrophobicContact CG1-CD2 4.4Å; I119-F213 HydrophobicContact CG1-CE1 4.22Å; I119-F213 HydrophobicContact CG1-CG 3.91Å; I119-F214 HydrophobicContact CD1-CE1 4.48Å
120	L	98.2	Very high	96.6	Very high	69 Å²	69	69.3 Å²	69.3	36%	0.361	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-60.8	-16.8	174.7	-63.4	175.5	0	0	0	113.3	R106 N107 V110 E117 E118 Y122	R106-L120 HydrophobicContact CG-CD2 4.48Å; R106-L120 PolarHBondContact NH1-O 3.23Å; R106-L120 VanDerWaalsContact NH1-O 3.15Å; N107-L120 WeakPolarHBondContact OD1-CD2 3.21Å; V110-L120 HydrophobicContact CB-CD2 4.3Å; V110-L120 HydrophobicContact CG1-CD1 4.26Å; V110-L120 HydrophobicContact CG1-CG 4.35Å; V110-L120 HydrophobicContact CG2-CD2 3.98Å; V110-L120 HydrophobicContact CG2-CG 4.09Å; E117-L120 VanDerWaalsContact O-CB 3.24Å; E117-L120 WeakPolarHBondContact O-CB 3.42Å; E117-L120 VanDerWaalsContact O-CG 3.31Å; E117-L120 WeakPolarHBondContact O-CG 3.23Å; E117-L120 PolarHBondContact O-N 3.42Å; E118-L120 PolarHBondContact O-N 3.2Å; L120-Y122 VanDerWaalsContact C-N 3.3Å
121	N	97.8	Very high	96.3	Very high	130 Å²	130	68.9 Å²	68.9	70%	0.695	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-81.9	-3.5	177.3	-59.2	-52.8	0	0	0	114.1	E118 I119	E118-N121 WeakPolarHBondContact O-CB 3.38Å; E118-N121 PolarHBondContact O-N 2.78Å; E118-N121 VanDerWaalsContact O-N 3.17Å; E118-N121 PolarHBondContact O-ND2 3.19Å; E118-N121 VanDerWaalsContact O-ND2 3.07Å; I119-N121 PolarHBondContact O-N 2.85Å; I119-N121 VanDerWaalsContact O-N 3.08Å
122	Y	98	Very high	96.3	Very high	28 Å²	28	63.7 Å²	63.7	11%	0.11	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-90.4	124.3	175.3	-81.8	-97.2	0	0	0	110.7	F102 R106 I119 L120 F159 S209 D212 F213 R216	F102-Y122 WeakPolarHBondContact CE1-O 3.4Å; R106-Y122 PolarHBondContact NH1-O 3.09Å; I119-Y122 PolarHBondContact O-N 3.11Å; I119-Y122 VanDerWaalsContact O-N 3.09Å; L120-Y122 VanDerWaalsContact C-N 3.3Å; Y122-F159 HydrophobicContact CD1-CE2 4.22Å; Y122-F159 HydrophobicContact CE1-CD2 4.44Å; Y122-F159 AromaticContact CE1-CE2 3.91Å; Y122-F159 HydrophobicContact CE1-CE2 3.91Å; Y122-S209 VanDerWaalsContact CD1-CB 3.48Å; Y122-S209 WeakPolarHBondContact CD1-OG 3.32Å; Y122-S209 VanDerWaalsContact CZ-O 3.31Å; Y122-S209 PolarHBondContact OH-O 3.25Å; Y122-D212 PolarHBondContact OH-OD2 2.86Å; Y122-F213 HydrophobicContact CE2-CB 3.83Å; Y122-F213 HydrophobicContact CE2-CD2 4.06Å; Y122-F213 HydrophobicContact CE2-CG 4.35Å; Y122-F213 WeakPolarHBondContact OH-CA 3.45Å; Y122-F213 PolarHBondContact OH-N 2.95Å; Y122-R216 PolarHBondContact OH-NE 3.46Å; Y122-R216 PolarHBondContact OH-NH2 2.98Å
123	D	97.7	Very high	96.2	Very high	110 Å²	110	58.2 Å²	58.2	59%	0.588	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-95	158.3	173.2	-60.8	-44.3	0	0	0	112.2	R106	R106-D123 IonicContact NH1-OD1 3.52Å
124	Y	97.6	Very high	96.2	Very high	34 Å²	34	54.7 Å²	54.7	13%	0.133	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-61.5	138	172.3	176	-113.1	0	0	0	110.8	D98 E99 F102 P202 N205	D98-Y124 HydrophobicContact CB-CD1 4.07Å; D98-Y124 HydrophobicContact CB-CE1 3.38Å; D98-Y124 HydrophobicContact CB-CE2 4.19Å; D98-Y124 VanDerWaalsContact CB-CZ 3.45Å; D98-Y124 WeakPolarHBondContact CB-OH 3.45Å; D98-Y124 PolarHBondContact OD2-OH 3.4Å; E99-Y124 HydrophobicContact CB-CD1 4.23Å; F102-Y124 HydrophobicContact CB-CD2 4.06Å; F102-Y124 HydrophobicContact CB-CG 4.24Å; F102-Y124 AromaticContact CD2-CD2 3.97Å; F102-Y124 HydrophobicContact CD2-CD2 3.97Å; F102-Y124 HydrophobicContact CG-CD2 4.14Å; F102-Y124 HydrophobicContact CG-CG 4.39Å; Y124-P202 HydrophobicContact CE2-CB 4.41Å; Y124-P202 HydrophobicContact CE2-CG 4.43Å; Y124-N205 HydrophobicContact CD2-CB 3.96Å; Y124-N205 HydrophobicContact CE2-CB 3.97Å
125	T	95.7	Very high	96.1	Very high	68 Å²	68	46.9 Å²	46.9	42%	0.417	23%	0.232	S	C	.	.			trans	-135.7	153.4	172.7	56.7	0	0	0	0	110.6	F127 N205	T125-F127 PolarHBondContact O-N 3.24Å; T125-N205 PolarHBondContact O-ND2 2.71Å; T125-N205 PolarHBondContact OG1-ND2 2.74Å
126	E	91.5	Very high	95.9	Very high	104 Å²	104	45.8 Å²	45.8	49%	0.486	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	41	175.2	-58.7	-166.5	162.4	0	0	113.5	R129	E126-R129 PolarHBondContact O-NE 3.47Å; E126-R129 PolarHBondContact O-NH2 2.65Å; E126-R129 IonicContact OE2-CZ 2.91Å; E126-R129 IonicContact OE2-NH1 2.57Å; E126-R129 PolarHBondContact OE2-NH1 2.71Å; E126-R129 VanDerWaalsContact OE2-NH1 3.15Å; E126-R129 IonicContact OE2-NH2 2.83Å; E126-R129 PolarHBondContact OE2-NH2 2.86Å
127	F	95.3	Very high	95.6	Very high	19 Å²	19	49.6 Å²	49.6	8%	0.083	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-49.6	179.4	175.1	-105.8	0	0	0	111.7	T125 L141 Y156 F159 C208 Q456 F457	T125-F127 PolarHBondContact O-N 3.24Å; F127-L141 HydrophobicContact CD1-CD2 4.36Å; F127-L141 HydrophobicContact CE1-CD2 3.75Å; F127-Y156 HydrophobicContact CE2-CD1 4.21Å; F127-Y156 HydrophobicContact CE2-CE1 4.16Å; F127-Y156 AromaticContact CZ-CD1 3.77Å; F127-Y156 HydrophobicContact CZ-CD1 3.77Å; F127-Y156 HydrophobicContact CZ-CD2 4.19Å; F127-Y156 HydrophobicContact CZ-CE1 4.18Å; F127-Y156 AromaticContact CZ-CG 3.79Å; F127-Y156 HydrophobicContact CZ-CG 3.79Å; F127-F159 HydrophobicContact CB-CE1 4.03Å; F127-F159 AromaticContact CD1-CD1 3.73Å; F127-F159 HydrophobicContact CD1-CD1 3.73Å; F127-F159 AromaticContact CD1-CE1 3.59Å; F127-F159 HydrophobicContact CD1-CE1 3.59Å; F127-F159 HydrophobicContact CD2-CD1 4.02Å; F127-F159 HydrophobicContact CD2-CE1 4.37Å; F127-F159 AromaticContact CE1-CD1 3.82Å; F127-F159 HydrophobicContact CE1-CD1 3.82Å; F127-F159 HydrophobicContact CE1-CE1 4.09Å; F127-F159 HydrophobicContact CE2-CD1 4.12Å; F127-F159 AromaticContact CG-CD1 3.83Å; F127-F159 HydrophobicContact CG-CD1 3.83Å; F127-F159 AromaticContact CG-CE1 3.74Å; F127-F159 HydrophobicContact CG-CE1 3.74Å; F127-F159 HydrophobicContact CZ-CD1 4.02Å; F127-C208 HydrophobicContact CE1-CB 4.48Å; F127-Q456 HydrophobicContact CD2-CG 4.28Å; F127-Q456 HydrophobicContact CE2-CG 3.98Å; F127-F457 HydrophobicContact CD2-CE2 4.46Å; F127-F457 HydrophobicContact CE1-CE2 4.45Å; F127-F457 HydrophobicContact CE1-CZ 4.21Å; F127-F457 HydrophobicContact CE2-CE2 4.13Å; F127-F457 HydrophobicContact CE2-CZ 4.27Å; F127-F457 HydrophobicContact CZ-CE2 4.13Å; F127-F457 AromaticContact CZ-CZ 3.86Å; F127-F457 HydrophobicContact CZ-CZ 3.86Å; F127-F457 VanDerWaalsContact O-CE2 3.29Å; F127-F457 WeakPolarHBondContact O-CE2 3.29Å
128	A	92.4	Very high	95.5	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.025	22%	0.221	C	C	.	.			trans	-74	146.2	179.4	0	0	0	0	0	111.1	L201 I204	A128-L201 HydrophobicContact CB-CD2 4.28Å; A128-I204 HydrophobicContact CB-CB 4.03Å; A128-I204 HydrophobicContact CB-CG2 3.79Å
129	R	92.7	Very high	95.4	Very high	85 Å²	85	41.4 Å²	41.4	32%	0.321	20%	0.199	S	C	.	.			trans	-132.1	152.7	176.3	-62.6	-68.3	175.3	-174.4	-8	110.2	E126 L132	E126-R129 PolarHBondContact O-NE 3.47Å; E126-R129 PolarHBondContact O-NH2 2.65Å; E126-R129 IonicContact OE2-CZ 2.91Å; E126-R129 IonicContact OE2-NH1 2.57Å; E126-R129 PolarHBondContact OE2-NH1 2.71Å; E126-R129 VanDerWaalsContact OE2-NH1 3.15Å; E126-R129 IonicContact OE2-NH2 2.83Å; E126-R129 PolarHBondContact OE2-NH2 2.86Å; R129-L132 HydrophobicContact CB-CD1 4.31Å; R129-L132 HydrophobicContact CB-CG 4.49Å; R129-L132 VanDerWaalsContact O-CG 3.27Å; R129-L132 WeakPolarHBondContact O-CG 3.41Å
130	R	93.2	Very high	95.4	Very high	5 Å²	5	41.4 Å²	41.4	2%	0.019	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	150	172.4	-173.5	164.1	62.7	154.9	1.2	110.4	L132 L195 M196 F198 D370 E393 I460 F470	R130-L132 VanDerWaalsContact C-N 3.31Å; R130-L132 PolarHBondContact O-N 2.92Å; R130-L195 CarbonylContact C-O 3.59Å; R130-L195 WeakPolarHBondContact CG-O 3.39Å; R130-M196 WeakPolarHBondContact CD-O 3.4Å; R130-F198 VanDerWaalsContact CZ-CZ 3.5Å; R130-D370 PolarHBondContact NH1-O 2.84Å; R130-E393 WeakPolarHBondContact CB-OE1 3.14Å; R130-E393 IonicContact CZ-OE1 3.22Å; R130-E393 IonicContact CZ-OE2 2.89Å; R130-E393 IonicContact NE-OE1 3.69Å; R130-E393 PolarHBondContact NE-OE1 3.48Å; R130-E393 IonicContact NE-OE2 2.74Å; R130-E393 IonicContact NH2-OE1 2.69Å; R130-E393 PolarHBondContact NH2-OE1 2.84Å; R130-E393 IonicContact NH2-OE2 3.15Å; R130-E393 PolarHBondContact NH2-OE2 3.46Å; R130-I460 HydrophobicContact CB-CD1 3.76Å; R130-I460 HydrophobicContact CG-CD1 4.17Å; R130-I460 WeakPolarHBondContact O-CD1 3.41Å; R130-I460 WeakPolarHBondContact O-CG1 3.38Å; R130-F470 HydrophobicContact CG-CE2 4.29Å
131	G	93.6	Very high	95.4	Very high	5 Å²	5	38.2 Å²	38.2	5%	0.052	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-8.8	-177.3	0	0	0	0	0	115.7	H133 L195	G131-H133 PolarHBondContact O-ND1 3.44Å; G131-L195 PolarHBondContact N-O 3.08Å
132	L	96.3	Very high	95.3	Very high	3 Å²	3	32 Å²	32	2%	0.016	15%	0.149	C	C	.	.			trans	-71.5	165.7	172.6	-59.6	179.8	0	0	0	111.7	R129 R130 L141 K143 L195 F457	R129-L132 HydrophobicContact CB-CD1 4.31Å; R129-L132 HydrophobicContact CB-CG 4.49Å; R129-L132 VanDerWaalsContact O-CG 3.27Å; R129-L132 WeakPolarHBondContact O-CG 3.41Å; R130-L132 VanDerWaalsContact C-N 3.31Å; R130-L132 PolarHBondContact O-N 2.92Å; L132-L141 HydrophobicContact CB-CD1 3.89Å; L132-L141 HydrophobicContact CD1-CD1 4.12Å; L132-L141 HydrophobicContact CD1-CD2 3.93Å; L132-L141 HydrophobicContact CD1-CG 4.07Å; L132-K143 HydrophobicContact CD2-CB 3.7Å; L132-K143 HydrophobicContact CD2-CD 4.3Å; L132-K143 HydrophobicContact CD2-CG 4.08Å; L132-L195 HydrophobicContact CB-CD1 4.04Å; L132-L195 HydrophobicContact CB-CG 4.44Å; L132-L195 PolarHBondContact O-N 3.16Å; L132-F457 HydrophobicContact CD1-CD1 3.81Å; L132-F457 HydrophobicContact CD1-CD2 3.91Å; L132-F457 HydrophobicContact CD1-CE1 3.73Å; L132-F457 HydrophobicContact CD1-CE2 3.83Å; L132-F457 HydrophobicContact CD1-CG 3.92Å; L132-F457 HydrophobicContact CD1-CZ 3.75Å; L132-F457 HydrophobicContact CD2-CB 4.12Å; L132-F457 HydrophobicContact CD2-CD1 3.44Å; L132-F457 VanDerWaalsContact CD2-CD1 3.44Å; L132-F457 HydrophobicContact CD2-CE1 4.02Å; L132-F457 HydrophobicContact CD2-CG 3.8Å; L132-F457 HydrophobicContact CG-CD1 4.29Å; L132-F457 HydrophobicContact CG-CG 4.48Å
133	H	96.2	Very high	95.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.1	178.6	-65.9	68.4	0	0	0	110.3	G131 L141 M142 V144 M192 I193 Y469	G131-H133 PolarHBondContact O-ND1 3.44Å; H133-L141 CarbonylContact O-C 3.59Å; H133-L141 WeakPolarHBondContact O-CA 3.29Å; H133-M142 HydrophobicContact CB-CG 4.31Å; H133-M142 PolarHBondContact N-O 2.87Å; H133-M142 PolarHBondContact O-N 3.49Å; H133-V144 HydrophobicContact CB-CG2 4.11Å; H133-M192 HydrophobicContact CB-CG 4.15Å; H133-M192 HydrophobicContact CB-SD 3.74Å; H133-I193 CarbonylContact C-O 3.37Å; H133-I193 WeakPolarHBondContact CA-O 3.17Å; H133-Y469 AromaticContact CE1-CD1 3.88Å; H133-Y469 AromaticContact NE2-CD1 3.75Å
134	F	95.6	Very high	95.3	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.6	175.4	-171.7	-97.6	0	0	0	110.7	V136 L140 L141 M192 I193 I204 L207 I211 Y227	F134-V136 HydrophobicContact CD1-CB 4.49Å; F134-V136 HydrophobicContact CD1-CG2 3.84Å; F134-V136 HydrophobicContact CE1-CB 4.46Å; F134-V136 HydrophobicContact CE1-CG2 4.18Å; F134-V136 PolarHBondContact O-N 3.29Å; F134-L140 CarbonylContact C-O 3.53Å; F134-L140 WeakPolarHBondContact CA-O 3.39Å; F134-L141 HydrophobicContact CB-CD1 4.32Å; F134-L141 HydrophobicContact CD2-CB 4.12Å; F134-L141 HydrophobicContact CD2-CD1 4.3Å; F134-M192 VanDerWaalsContact C-SD 3.55Å; F134-M192 WeakPolarHBondContact O-CA 3.31Å; F134-I193 PolarHBondContact N-O 2.64Å; F134-I193 PolarHBondContact O-N 3.38Å; F134-I204 HydrophobicContact CB-CD1 4.22Å; F134-I204 HydrophobicContact CG-CD1 4.25Å; F134-L207 HydrophobicContact CD1-CD2 3.87Å; F134-L207 HydrophobicContact CD2-CD2 4.22Å; F134-L207 HydrophobicContact CE1-CD2 3.28Å; F134-L207 HydrophobicContact CE1-CG 4.27Å; F134-L207 HydrophobicContact CE2-CD2 3.69Å; F134-L207 HydrophobicContact CE2-CG 4.15Å; F134-L207 HydrophobicContact CG-CD2 4.3Å; F134-L207 HydrophobicContact CZ-CD1 4.38Å; F134-L207 HydrophobicContact CZ-CD2 3.18Å; F134-L207 HydrophobicContact CZ-CG 3.73Å; F134-I211 HydrophobicContact CE2-CD1 4.4Å; F134-I211 HydrophobicContact CZ-CD1 4.03Å; F134-Y227 HydrophobicContact CD1-CD2 4.48Å; F134-Y227 HydrophobicContact CE1-CD2 4.37Å
135	D	95.2	Very high	95.3	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	101.2	171.1	-176.9	-30.1	0	0	0	108.8	K137 R138 G139 L140 M142 Y171 T190 M192	D135-K137 VanDerWaalsContact C-N 3.27Å; D135-K137 PolarHBondContact O-N 2.95Å; D135-K137 WeakPolarHBondContact OD1-CB 3.33Å; D135-K137 PolarHBondContact OD1-N 2.98Å; D135-R138 HydrophobicContact CB-CB 4.35Å; D135-R138 PolarHBondContact O-N 3.12Å; D135-R138 PolarHBondContact OD1-N 2.56Å; D135-R138 IonicContact OD1-NH1 2.81Å; D135-R138 VanDerWaalsContact OD2-CD 3.26Å; D135-R138 WeakPolarHBondContact OD2-CD 3.47Å; D135-R138 WeakPolarHBondContact OD2-CG 3.35Å; D135-R138 IonicContact OD2-CZ 3.49Å; D135-R138 IonicContact OD2-NE 2.74Å; D135-R138 IonicContact OD2-NH1 2.67Å; D135-R138 PolarHBondContact OD2-NH1 3.04Å; D135-G139 WeakPolarHBondContact O-CA 3.3Å; D135-G139 PolarHBondContact O-N 3.03Å; D135-L140 HydrophobicContact CB-CB 4.39Å; D135-L140 PolarHBondContact N-O 2.96Å; D135-L140 PolarHBondContact O-N 3.38Å; D135-M142 HydrophobicContact CB-CE 3.91Å; D135-Y171 WeakPolarHBondContact CB-OH 3.13Å; D135-Y171 PolarHBondContact OD2-OH 2.85Å; D135-T190 VanDerWaalsContact OD1-CG2 3.23Å; D135-T190 WeakPolarHBondContact OD1-CG2 3.24Å; D135-M192 HydrophobicContact CB-CE 3.75Å; D135-M192 HydrophobicContact CB-SD 3.99Å
136	V	94.4	Very high	95.3	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-32.9	-177.1	176.9	0	0	0	0	112.2	F134 R138 I191 I193 P223 V224 Y227	F134-V136 HydrophobicContact CD1-CB 4.49Å; F134-V136 HydrophobicContact CD1-CG2 3.84Å; F134-V136 HydrophobicContact CE1-CB 4.46Å; F134-V136 HydrophobicContact CE1-CG2 4.18Å; F134-V136 PolarHBondContact O-N 3.29Å; V136-R138 VanDerWaalsContact C-N 3.32Å; V136-R138 PolarHBondContact O-N 3.06Å; V136-I191 HydrophobicContact CB-CB 4.06Å; V136-I191 WeakPolarHBondContact CB-O 3.47Å; V136-I191 HydrophobicContact CG2-CB 4.09Å; V136-I191 HydrophobicContact CG2-CG2 3.99Å; V136-I191 WeakPolarHBondContact CG2-O 3.32Å; V136-I191 PolarHBondContact N-O 3.29Å; V136-I193 HydrophobicContact CG2-CD1 3.4Å; V136-I193 HydrophobicContact CG2-CG1 3.89Å; V136-P223 CarbonylContact O-C 3.54Å; V136-P223 WeakPolarHBondContact O-CB 3.41Å; V136-V224 HydrophobicContact CG1-CB 4.4Å; V136-V224 HydrophobicContact CG1-CG1 4.47Å; V136-V224 HydrophobicContact CG1-CG2 4.2Å; V136-V224 PolarHBondContact O-N 3.18Å; V136-Y227 HydrophobicContact CB-CG 4.44Å; V136-Y227 HydrophobicContact CG1-CD1 3.56Å; V136-Y227 HydrophobicContact CG1-CE1 4.38Å; V136-Y227 HydrophobicContact CG1-CG 3.66Å; V136-Y227 HydrophobicContact CG2-CD1 4.05Å; V136-Y227 HydrophobicContact CG2-CD2 4.03Å; V136-Y227 HydrophobicContact CG2-CE1 4.27Å; V136-Y227 HydrophobicContact CG2-CE2 4.25Å; V136-Y227 HydrophobicContact CG2-CG 3.95Å
137	K	92.9	Very high	95.5	Very high	121 Å²	121	21.6 Å²	21.6	53%	0.526	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-36.7	-179.1	-174.5	177.5	-178.4	168.8	0	111.1	D135 T190	D135-K137 VanDerWaalsContact C-N 3.27Å; D135-K137 PolarHBondContact O-N 2.95Å; D135-K137 WeakPolarHBondContact OD1-CB 3.33Å; D135-K137 PolarHBondContact OD1-N 2.98Å; K137-T190 HydrophobicContact CB-CG2 3.6Å; K137-T190 HydrophobicContact CD-CG2 3.97Å; K137-T190 HydrophobicContact CG-CG2 4.45Å
138	R	94.7	Very high	95.5	Very high	80 Å²	80	22.3 Å²	22.3	30%	0.302	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-13.1	-172.7	-60.2	-176.8	174.3	80.5	-6.1	114.1	D135 V136 L140 V170	D135-R138 HydrophobicContact CB-CB 4.35Å; D135-R138 PolarHBondContact O-N 3.12Å; D135-R138 PolarHBondContact OD1-N 2.56Å; D135-R138 IonicContact OD1-NH1 2.81Å; D135-R138 VanDerWaalsContact OD2-CD 3.26Å; D135-R138 WeakPolarHBondContact OD2-CD 3.47Å; D135-R138 WeakPolarHBondContact OD2-CG 3.35Å; D135-R138 IonicContact OD2-CZ 3.49Å; D135-R138 IonicContact OD2-NE 2.74Å; D135-R138 IonicContact OD2-NH1 2.67Å; D135-R138 PolarHBondContact OD2-NH1 3.04Å; V136-R138 VanDerWaalsContact C-N 3.32Å; V136-R138 PolarHBondContact O-N 3.06Å; R138-L140 HydrophobicContact CB-CD1 3.93Å; R138-L140 HydrophobicContact CB-CG 3.86Å; R138-V170 VanDerWaalsContact NE-CG1 3.33Å
139	G	96.3	Very high	95.7	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	37.8	-175.8	0	0	0	0	0	112.7	D135	D135-G139 WeakPolarHBondContact O-CA 3.3Å; D135-G139 PolarHBondContact O-N 3.03Å
140	L	97.5	Very high	96	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.9	-174.3	-60.8	-179.7	0	0	0	111.6	F134 D135 R138 M142 V155 Y156 R157 L162 V170 Y171	F134-L140 CarbonylContact C-O 3.53Å; F134-L140 WeakPolarHBondContact CA-O 3.39Å; D135-L140 HydrophobicContact CB-CB 4.39Å; D135-L140 PolarHBondContact N-O 2.96Å; D135-L140 PolarHBondContact O-N 3.38Å; R138-L140 HydrophobicContact CB-CD1 3.93Å; R138-L140 HydrophobicContact CB-CG 3.86Å; L140-M142 HydrophobicContact CB-CE 3.8Å; L140-M142 WeakPolarHBondContact O-CE 3.45Å; L140-V155 HydrophobicContact CB-CG1 4.32Å; L140-V155 HydrophobicContact CD1-CG1 4.3Å; L140-Y156 CarbonylContact C-O 3.54Å; L140-Y156 VanDerWaalsContact CA-O 3.32Å; L140-Y156 WeakPolarHBondContact CA-O 3.31Å; L140-R157 HydrophobicContact CD2-CB 3.79Å; L140-R157 HydrophobicContact CD2-CG 4.47Å; L140-L162 HydrophobicContact CD1-CD2 4.14Å; L140-L162 HydrophobicContact CD2-CD1 4.07Å; L140-L162 HydrophobicContact CD2-CD2 3.63Å; L140-V170 HydrophobicContact CD1-CG1 4.07Å; L140-Y171 HydrophobicContact CD1-CE2 3.93Å
141	L	97.9	Very high	96.2	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133.5	170	-174.8	67.1	0	0	0	109.3	F127 L132 H133 F134 V155 Y156 L195 I204 F457	F127-L141 HydrophobicContact CD1-CD2 4.36Å; F127-L141 HydrophobicContact CE1-CD2 3.75Å; L132-L141 HydrophobicContact CB-CD1 3.89Å; L132-L141 HydrophobicContact CD1-CD1 4.12Å; L132-L141 HydrophobicContact CD1-CD2 3.93Å; L132-L141 HydrophobicContact CD1-CG 4.07Å; H133-L141 CarbonylContact O-C 3.59Å; H133-L141 WeakPolarHBondContact O-CA 3.29Å; F134-L141 HydrophobicContact CB-CD1 4.32Å; F134-L141 HydrophobicContact CD2-CB 4.12Å; F134-L141 HydrophobicContact CD2-CD1 4.3Å; L141-V155 CarbonylContact O-C 3.45Å; L141-V155 WeakPolarHBondContact O-CA 3.3Å; L141-Y156 PolarHBondContact N-O 3.25Å; L141-Y156 PolarHBondContact O-N 3.05Å; L141-L195 HydrophobicContact CD1-CD1 4.02Å; L141-I204 HydrophobicContact CD1-CG2 3.95Å; L141-I204 HydrophobicContact CD2-CG2 4.02Å; L141-F457 HydrophobicContact CD2-CE1 4.41Å; L141-F457 HydrophobicContact CD2-CZ 3.83Å; L141-F457 HydrophobicContact CG-CZ 4.39Å
142	M	97.5	Very high	96.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	164.3	-179.4	73.2	-148.2	76	0	0	113.1	H133 D135 L140 V144 I150 T154 V155 Y171 L176 M192	H133-M142 HydrophobicContact CB-CG 4.31Å; H133-M142 PolarHBondContact N-O 2.87Å; H133-M142 PolarHBondContact O-N 3.49Å; D135-M142 HydrophobicContact CB-CE 3.91Å; L140-M142 HydrophobicContact CB-CE 3.8Å; L140-M142 WeakPolarHBondContact O-CE 3.45Å; M142-V144 HydrophobicContact CG-CG2 4.06Å; M142-I150 HydrophobicContact CB-CG2 4.31Å; M142-I150 HydrophobicContact CG-CG2 4.47Å; M142-I150 HydrophobicContact SD-CD1 4.3Å; M142-I150 HydrophobicContact SD-CG1 4.16Å; M142-I150 HydrophobicContact SD-CG2 4.44Å; M142-T154 WeakPolarHBondContact CA-O 3.44Å; M142-V155 HydrophobicContact CB-CB 4.46Å; M142-V155 HydrophobicContact CB-CG1 4.43Å; M142-V155 HydrophobicContact CB-CG2 3.98Å; M142-Y171 WeakPolarHBondContact CE-OH 3.37Å; M142-Y171 HydrophobicContact SD-CE2 4.32Å; M142-L176 HydrophobicContact SD-CD1 4.43Å; M142-M192 HydrophobicContact CE-CE 4.25Å; M142-M192 HydrophobicContact CE-SD 4.33Å; M142-M192 HydrophobicContact SD-CE 4.32Å
143	K	97.6	Very high	96.2	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.026	12%	0.119	C	C	.	.			trans	-101.7	140.9	168.5	-169.2	168.8	172.9	-179.8	0	111	L132 Q151 T154 F457 S459 R462	L132-K143 HydrophobicContact CD2-CB 3.7Å; L132-K143 HydrophobicContact CD2-CD 4.3Å; L132-K143 HydrophobicContact CD2-CG 4.08Å; K143-Q151 HydrophobicContact CB-CB 4.19Å; K143-Q151 PolarHBondContact O-N 3.41Å; K143-T154 HydrophobicContact CB-CG2 4.42Å; K143-T154 WeakPolarHBondContact CB-OG1 3.47Å; K143-T154 PolarHBondContact N-OG1 3.39Å; K143-T154 VanDerWaalsContact N-OG1 3.16Å; K143-F457 HydrophobicContact CD-CB 4.46Å; K143-F457 WeakPolarHBondContact CD-O 3.48Å; K143-F457 PolarHBondContact NZ-O 3.05Å; K143-S459 WeakPolarHBondContact CE-O 3.49Å; K143-S459 PolarHBondContact NZ-O 2.95Å; K143-R462 WeakPolarHBondContact CE-O 3.37Å; K143-R462 PolarHBondContact NZ-O 3.09Å
144	V	97.2	Very high	96.3	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-124.9	138.5	-178.9	-174.5	0	0	0	0	109.3	H133 M142 H149 L176 L181 Y469	H133-V144 HydrophobicContact CB-CG2 4.11Å; M142-V144 HydrophobicContact CG-CG2 4.06Å; V144-H149 WeakPolarHBondContact CA-O 3.49Å; V144-L176 HydrophobicContact CG1-CD1 4.27Å; V144-L176 HydrophobicContact CG2-CD1 3.69Å; V144-L181 HydrophobicContact CG1-CD1 4.14Å; V144-L181 HydrophobicContact CG1-CD2 4.36Å; V144-L181 HydrophobicContact CG2-CD2 4.48Å; V144-Y469 WeakPolarHBondContact O-CB 3.42Å; V144-Y469 PolarHBondContact O-N 3.17Å
145	D	97.2	Very high	96.4	Very high	6 Å²	6	26 Å²	26	3%	0.032	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-85.8	171.6	177.2	83.5	2.7	0	0	0	113.2	F147 H148 H149 N466	D145-F147 PolarHBondContact O-N 2.74Å; D145-F147 VanDerWaalsContact O-N 3.08Å; D145-F147 VanDerWaalsContact OD1-C 3.26Å; D145-F147 VanDerWaalsContact OD1-CA 3.32Å; D145-F147 WeakPolarHBondContact OD1-CA 3.49Å; D145-F147 PolarHBondContact OD1-N 2.85Å; D145-H148 PolarHBondContact O-N 3.33Å; D145-H148 PolarHBondContact OD1-N 3.01Å; D145-H148 VanDerWaalsContact OD1-N 3.11Å; D145-H149 PolarHBondContact N-O 3.07Å; D145-H149 IonicContact OD1-CG 3.67Å; D145-H149 PolarHBondContact OD1-N 3.28Å; D145-H149 IonicContact OD1-ND1 3.6Å; D145-H149 IonicContact OD2-ND1 3.24Å; D145-N466 HydrophobicContact CB-CB 4.09Å; D145-N466 PolarHBondContact OD2-ND2 3.2Å
146	A	95.7	Very high	96.5	Very high	5 Å²	5	27 Å²	27	4%	0.041	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-15.2	178.4	0	0	0	0	0	114.6	P467 Q472	A146-P467 HydrophobicContact CB-CB 4.06Å; A146-P467 WeakPolarHBondContact CB-O 3.47Å; A146-P467 PolarHBondContact N-O 2.67Å; A146-Q472 HydrophobicContact CB-CB 3.79Å; A146-Q472 HydrophobicContact CB-CG 4.18Å; A146-Q472 PolarHBondContact O-OE1 2.81Å
147	F	95.9	Very high	96.7	Very high	109 Å²	109	30.2 Å²	30.2	48%	0.478	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	15.6	179.9	-52.3	-71.9	0	0	0	111.9	D145 H149 N466	D145-F147 PolarHBondContact O-N 2.74Å; D145-F147 VanDerWaalsContact O-N 3.08Å; D145-F147 VanDerWaalsContact OD1-C 3.26Å; D145-F147 VanDerWaalsContact OD1-CA 3.32Å; D145-F147 WeakPolarHBondContact OD1-CA 3.49Å; D145-F147 PolarHBondContact OD1-N 2.85Å; F147-H149 VanDerWaalsContact C-N 3.28Å; F147-H149 PolarHBondContact O-CE1 3Å; F147-H149 PolarHBondContact O-N 2.99Å; F147-H149 PolarHBondContact O-ND1 3.35Å; F147-N466 HydrophobicContact CD2-CB 4.1Å; F147-N466 HydrophobicContact CE2-CB 4.01Å
148	H	96	Very high	96.9	Very high	34 Å²	34	24.5 Å²	24.5	16%	0.157	11%	0.11	C	C	.	.	S	Bend	trans	65.3	25.9	178.6	-44.5	166.1	0	0	0	114	D145 L176 L181 Y469	D145-H148 PolarHBondContact O-N 3.33Å; D145-H148 PolarHBondContact OD1-N 3.01Å; D145-H148 VanDerWaalsContact OD1-N 3.11Å; H148-L176 WeakPolarHBondContact CB-O 3.47Å; H148-L176 PolarHBondContact O-N 3.28Å; H148-L181 HydrophobicContact CB-CD1 3.63Å; H148-L181 VanDerWaalsContact CG-CD1 3.48Å; H148-Y469 AromaticContact CD2-CD2 3.97Å; H148-Y469 AromaticContact CD2-CE2 3.83Å; H148-Y469 AromaticContact NE2-CE2 3.81Å
149	H	97.1	Very high	97.1	Very high	70 Å²	70	23.6 Å²	23.6	32%	0.324	11%	0.108	S	C	.	.	B	Isolated β-bridge	trans	-92.1	134.4	171.5	-57.7	95.7	0	0	0	110.8	V144 D145 F147 Q151 S174 H175	V144-H149 WeakPolarHBondContact CA-O 3.49Å; D145-H149 PolarHBondContact N-O 3.07Å; D145-H149 IonicContact OD1-CG 3.67Å; D145-H149 PolarHBondContact OD1-N 3.28Å; D145-H149 IonicContact OD1-ND1 3.6Å; D145-H149 IonicContact OD2-ND1 3.24Å; F147-H149 VanDerWaalsContact C-N 3.28Å; F147-H149 PolarHBondContact O-CE1 3Å; F147-H149 PolarHBondContact O-N 2.99Å; F147-H149 PolarHBondContact O-ND1 3.35Å; H149-Q151 PolarHBondContact O-N 2.8Å; H149-S174 CarbonylContact C-O 3.58Å; H149-S174 WeakPolarHBondContact CA-O 3.38Å; H149-H175 AromaticContact NE2-ND1 3.69Å
150	I	97.7	Very high	97.1	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.036	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-65.5	129.6	169.5	-59.5	164.3	0	0	0	108.1	M142 L152 V155 Y171 S174 L176	M142-I150 HydrophobicContact CB-CG2 4.31Å; M142-I150 HydrophobicContact CG-CG2 4.47Å; M142-I150 HydrophobicContact SD-CD1 4.3Å; M142-I150 HydrophobicContact SD-CG1 4.16Å; M142-I150 HydrophobicContact SD-CG2 4.44Å; I150-L152 HydrophobicContact CB-CD2 4.27Å; I150-L152 HydrophobicContact CG2-CD2 4.25Å; I150-L152 PolarHBondContact O-N 3.06Å; I150-V155 HydrophobicContact CG2-CG2 3.49Å; I150-V155 VanDerWaalsContact CG2-CG2 3.49Å; I150-Y171 HydrophobicContact CD1-CD1 4.05Å; I150-Y171 HydrophobicContact CD1-CD2 3.48Å; I150-Y171 VanDerWaalsContact CD1-CD2 3.48Å; I150-Y171 HydrophobicContact CD1-CE1 4.44Å; I150-Y171 HydrophobicContact CD1-CE2 3.9Å; I150-Y171 HydrophobicContact CD1-CG 3.56Å; I150-S174 WeakPolarHBondContact CG1-O 3.48Å; I150-S174 PolarHBondContact N-O 3.21Å; I150-L176 HydrophobicContact CD1-CD1 4.29Å; I150-L176 HydrophobicContact CD1-CD2 4Å; I150-L176 HydrophobicContact CD1-CG 4.03Å; I150-L176 HydrophobicContact CG1-CD1 3.74Å; I150-L176 HydrophobicContact CG1-CD2 4.33Å; I150-L176 HydrophobicContact CG1-CG 3.81Å
151	Q	96.8	Very high	97.2	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.028	16%	0.156	C	C	.	.			trans	-74.4	97.1	164.9	-166.4	-176.6	-46.1	0	0	108.7	K143 H149 D153 T154 K450 S463 F464	K143-Q151 HydrophobicContact CB-CB 4.19Å; K143-Q151 PolarHBondContact O-N 3.41Å; H149-Q151 PolarHBondContact O-N 2.8Å; Q151-D153 VanDerWaalsContact CG-OD1 3.27Å; Q151-D153 WeakPolarHBondContact CG-OD1 3.28Å; Q151-D153 PolarHBondContact NE2-OD1 2.87Å; Q151-D153 PolarHBondContact O-N 3.06Å; Q151-D153 VanDerWaalsContact O-N 3.08Å; Q151-T154 HydrophobicContact CB-CG2 4.03Å; Q151-T154 VanDerWaalsContact CD-CG2 3.48Å; Q151-T154 HydrophobicContact CG-CG2 3.79Å; Q151-T154 WeakPolarHBondContact O-CB 3.27Å; Q151-T154 PolarHBondContact O-N 3.49Å; Q151-T154 PolarHBondContact O-OG1 3.27Å; Q151-K450 VanDerWaalsContact NE2-CD 3.35Å; Q151-S463 WeakPolarHBondContact CB-OG 3.37Å; Q151-S463 VanDerWaalsContact CG-OG 3.27Å; Q151-S463 WeakPolarHBondContact CG-OG 3.26Å; Q151-S463 PolarHBondContact OE1-OG 3.23Å; Q151-F464 HydrophobicContact CG-CD2 4.09Å; Q151-F464 HydrophobicContact CG-CE2 3.63Å
152	L	95.9	Very high	97.2	Very high	54 Å²	54	34.2 Å²	34.2	28%	0.283	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-58.9	-27.6	-165.2	-60.2	171.5	0	0	0	114.4	I150 T154 L164 I167 L168	I150-L152 HydrophobicContact CB-CD2 4.27Å; I150-L152 HydrophobicContact CG2-CD2 4.25Å; I150-L152 PolarHBondContact O-N 3.06Å; L152-T154 PolarHBondContact O-N 3.23Å; L152-L164 HydrophobicContact CB-CD1 4.11Å; L152-L164 HydrophobicContact CD1-CD1 3.58Å; L152-L164 HydrophobicContact CD2-CD1 4.49Å; L152-L164 HydrophobicContact CG-CD1 4.26Å; L152-I167 HydrophobicContact CD2-CG2 3.66Å; L152-I167 WeakPolarHBondContact O-CD1 3.31Å; L152-L168 HydrophobicContact CD2-CD2 4.43Å
153	D	95.4	Very high	97.2	Very high	43 Å²	43	37.3 Å²	37.3	23%	0.23	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-86.5	19.6	177.8	74.3	-38.2	0	0	0	113.8	Q151 K450 F464	Q151-D153 VanDerWaalsContact CG-OD1 3.27Å; Q151-D153 WeakPolarHBondContact CG-OD1 3.28Å; Q151-D153 PolarHBondContact NE2-OD1 2.87Å; Q151-D153 PolarHBondContact O-N 3.06Å; Q151-D153 VanDerWaalsContact O-N 3.08Å; D153-K450 PolarHBondContact O-NZ 3.23Å; D153-K450 WeakPolarHBondContact OD2-CE 3.47Å; D153-K450 IonicContact OD2-NZ 2.87Å; D153-K450 PolarHBondContact OD2-NZ 3.19Å; D153-F464 WeakPolarHBondContact OD1-CZ 3.28Å
154	T	97	Very high	97.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-132.7	14.9	-177.3	72.1	0	0	0	0	113.8	M142 K143 Q151 L152 Y156 Q456 F457	M142-T154 WeakPolarHBondContact CA-O 3.44Å; K143-T154 HydrophobicContact CB-CG2 4.42Å; K143-T154 WeakPolarHBondContact CB-OG1 3.47Å; K143-T154 PolarHBondContact N-OG1 3.39Å; K143-T154 VanDerWaalsContact N-OG1 3.16Å; Q151-T154 HydrophobicContact CB-CG2 4.03Å; Q151-T154 VanDerWaalsContact CD-CG2 3.48Å; Q151-T154 HydrophobicContact CG-CG2 3.79Å; Q151-T154 WeakPolarHBondContact O-CB 3.27Å; Q151-T154 PolarHBondContact O-N 3.49Å; Q151-T154 PolarHBondContact O-OG1 3.27Å; L152-T154 PolarHBondContact O-N 3.23Å; T154-Y156 VanDerWaalsContact O-CD2 3.32Å; T154-Y156 WeakPolarHBondContact O-CD2 3.49Å; T154-Q456 WeakPolarHBondContact CG2-O 3.4Å; T154-F457 HydrophobicContact CG2-CD1 4.44Å; T154-F457 WeakPolarHBondContact O-CE1 3.22Å
155	V	98.2	Very high	97.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.23	C	C	.	.			trans	-93	118	-177.7	-171	0	0	0	0	110.1	L140 L141 M142 I150 L162 I167	L140-V155 HydrophobicContact CB-CG1 4.32Å; L140-V155 HydrophobicContact CD1-CG1 4.3Å; L141-V155 CarbonylContact O-C 3.45Å; L141-V155 WeakPolarHBondContact O-CA 3.3Å; M142-V155 HydrophobicContact CB-CB 4.46Å; M142-V155 HydrophobicContact CB-CG1 4.43Å; M142-V155 HydrophobicContact CB-CG2 3.98Å; I150-V155 HydrophobicContact CG2-CG2 3.49Å; I150-V155 VanDerWaalsContact CG2-CG2 3.49Å; V155-L162 HydrophobicContact CG1-CD2 4.17Å; V155-L162 PolarHBondContact O-N 3.17Å; V155-I167 HydrophobicContact CB-CD1 3.65Å; V155-I167 HydrophobicContact CB-CG1 3.87Å; V155-I167 HydrophobicContact CG1-CD1 4.45Å; V155-I167 HydrophobicContact CG1-CG1 4.12Å; V155-I167 HydrophobicContact CG2-CD1 3.63Å; V155-I167 HydrophobicContact CG2-CG1 3.95Å; V155-I167 HydrophobicContact CG2-CG2 4.06Å
156	Y	98.5	Very high	97.1	Very high	23 Å²	23	49.1 Å²	49.1	9%	0.09	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.8	-177	-70.9	-97.6	0	0	0	111.9	F127 L140 L141 T154 F159 K160 L161 Q456 F457	F127-Y156 HydrophobicContact CE2-CD1 4.21Å; F127-Y156 HydrophobicContact CE2-CE1 4.16Å; F127-Y156 AromaticContact CZ-CD1 3.77Å; F127-Y156 HydrophobicContact CZ-CD1 3.77Å; F127-Y156 HydrophobicContact CZ-CD2 4.19Å; F127-Y156 HydrophobicContact CZ-CE1 4.18Å; F127-Y156 AromaticContact CZ-CG 3.79Å; F127-Y156 HydrophobicContact CZ-CG 3.79Å; L140-Y156 CarbonylContact C-O 3.54Å; L140-Y156 VanDerWaalsContact CA-O 3.32Å; L140-Y156 WeakPolarHBondContact CA-O 3.31Å; L141-Y156 PolarHBondContact N-O 3.25Å; L141-Y156 PolarHBondContact O-N 3.05Å; T154-Y156 VanDerWaalsContact O-CD2 3.32Å; T154-Y156 WeakPolarHBondContact O-CD2 3.49Å; Y156-F159 WeakPolarHBondContact CD1-O 3.31Å; Y156-K160 CarbonylContact C-O 3.59Å; Y156-K160 VanDerWaalsContact CA-O 3.29Å; Y156-K160 WeakPolarHBondContact CA-O 3.45Å; Y156-L161 HydrophobicContact CD1-CB 4.17Å; Y156-L161 HydrophobicContact CD1-CD1 4.5Å; Y156-L161 HydrophobicContact CD2-CD1 4.17Å; Y156-L161 HydrophobicContact CE1-CB 3.78Å; Y156-L161 HydrophobicContact CE1-CD1 4.08Å; Y156-L161 HydrophobicContact CE2-CD1 3.7Å; Y156-Q456 HydrophobicContact CE2-CB 4.21Å; Y156-F457 AromaticContact CD2-CE1 3.75Å; Y156-F457 HydrophobicContact CD2-CE1 3.75Å; Y156-F457 AromaticContact CD2-CZ 3.75Å; Y156-F457 HydrophobicContact CD2-CZ 3.75Å; Y156-F457 AromaticContact CE2-CE1 3.89Å; Y156-F457 HydrophobicContact CE2-CE1 3.89Å; Y156-F457 AromaticContact CE2-CZ 3.9Å; Y156-F457 HydrophobicContact CE2-CZ 3.9Å
157	R	98	Very high	97.2	Very high	68 Å²	68	48.9 Å²	48.9	26%	0.257	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.6	160.9	-179.3	-176.4	-60.6	148.6	14.5	106.8	L140 F159 K160 L162 E166 I211 D215	L140-R157 HydrophobicContact CD2-CB 3.79Å; L140-R157 HydrophobicContact CD2-CG 4.47Å; R157-F159 PolarHBondContact O-N 3.42Å; R157-K160 PolarHBondContact N-O 2.94Å; R157-K160 WeakPolarHBondContact O-CB 3.41Å; R157-K160 PolarHBondContact O-N 2.85Å; R157-L162 HydrophobicContact CB-CD1 3.68Å; R157-L162 VanDerWaalsContact N-CD1 3.31Å; R157-E166 IonicContact CZ-OE1 3.29Å; R157-E166 IonicContact NH1-OE1 3.56Å; R157-E166 IonicContact NH2-OE1 3.82Å; R157-E166 PolarHBondContact NH2-OE1 2.87Å; R157-I211 HydrophobicContact CG-CG2 3.58Å; R157-D215 WeakPolarHBondContact CD-OD2 3.45Å
158	G	97.7	Very high	97.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.01	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	-125.7	-165.2	0	0	0	0	0	109.7	C208 I211	G158-C208 VanDerWaalsContact CA-O 3.25Å; G158-C208 WeakPolarHBondContact CA-O 3.31Å; G158-I211 VanDerWaalsContact N-CG2 3.27Å
159	F	97.6	Very high	97.3	Very high	60 Å²	60	54.7 Å²	54.7	26%	0.263	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	1.8	173.4	-57.3	-58.4	0	0	0	113.9	Y122 F127 Y156 R157 C208 S209 D212	Y122-F159 HydrophobicContact CD1-CE2 4.22Å; Y122-F159 HydrophobicContact CE1-CD2 4.44Å; Y122-F159 AromaticContact CE1-CE2 3.91Å; Y122-F159 HydrophobicContact CE1-CE2 3.91Å; F127-F159 HydrophobicContact CB-CE1 4.03Å; F127-F159 AromaticContact CD1-CD1 3.73Å; F127-F159 HydrophobicContact CD1-CD1 3.73Å; F127-F159 AromaticContact CD1-CE1 3.59Å; F127-F159 HydrophobicContact CD1-CE1 3.59Å; F127-F159 HydrophobicContact CD2-CD1 4.02Å; F127-F159 HydrophobicContact CD2-CE1 4.37Å; F127-F159 AromaticContact CE1-CD1 3.82Å; F127-F159 HydrophobicContact CE1-CD1 3.82Å; F127-F159 HydrophobicContact CE1-CE1 4.09Å; F127-F159 HydrophobicContact CE2-CD1 4.12Å; F127-F159 AromaticContact CG-CD1 3.83Å; F127-F159 HydrophobicContact CG-CD1 3.83Å; F127-F159 AromaticContact CG-CE1 3.74Å; F127-F159 HydrophobicContact CG-CE1 3.74Å; F127-F159 HydrophobicContact CZ-CD1 4.02Å; Y156-F159 WeakPolarHBondContact CD1-O 3.31Å; R157-F159 PolarHBondContact O-N 3.42Å; F159-C208 HydrophobicContact CD1-CB 4.13Å; F159-C208 HydrophobicContact CE1-CB 3.63Å; F159-C208 HydrophobicContact CZ-CB 3.87Å; F159-S209 WeakPolarHBondContact CZ-OG 3.49Å; F159-D212 HydrophobicContact CD2-CB 3.8Å; F159-D212 HydrophobicContact CE2-CB 4.35Å
160	K	97.7	Very high	97.1	Very high	132 Å²	132	53.3 Å²	53.3	57%	0.574	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	121.3	-179.7	-177.3	-178.8	175.4	-176.3	0	111.3	Y156 R157 L162	Y156-K160 CarbonylContact C-O 3.59Å; Y156-K160 VanDerWaalsContact CA-O 3.29Å; Y156-K160 WeakPolarHBondContact CA-O 3.45Å; R157-K160 PolarHBondContact N-O 2.94Å; R157-K160 WeakPolarHBondContact O-CB 3.41Å; R157-K160 PolarHBondContact O-N 2.85Å; K160-L162 WeakPolarHBondContact O-CD1 3.28Å
161	L	97.8	Very high	96.9	Very high	84 Å²	84	54.1 Å²	54.1	44%	0.44	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	131.7	171	-175.5	70	0	0	0	110.4	Y156	Y156-L161 HydrophobicContact CD1-CB 4.17Å; Y156-L161 HydrophobicContact CD1-CD1 4.5Å; Y156-L161 HydrophobicContact CD2-CD1 4.17Å; Y156-L161 HydrophobicContact CE1-CB 3.78Å; Y156-L161 HydrophobicContact CE1-CD1 4.08Å; Y156-L161 HydrophobicContact CE2-CD1 3.7Å
162	L	98	Very high	96.7	Very high	11 Å²	11	65.1 Å²	65.1	6%	0.058	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-81.8	153.3	177.2	-85.8	65.8	0	0	0	111.9	L140 V155 R157 K160 E166 I167	L140-L162 HydrophobicContact CD1-CD2 4.14Å; L140-L162 HydrophobicContact CD2-CD1 4.07Å; L140-L162 HydrophobicContact CD2-CD2 3.63Å; V155-L162 HydrophobicContact CG1-CD2 4.17Å; V155-L162 PolarHBondContact O-N 3.17Å; R157-L162 HydrophobicContact CB-CD1 3.68Å; R157-L162 VanDerWaalsContact N-CD1 3.31Å; K160-L162 WeakPolarHBondContact O-CD1 3.28Å; L162-E166 HydrophobicContact CD2-CG 4.05Å; L162-E166 HydrophobicContact CG-CG 4.45Å; L162-I167 HydrophobicContact CB-CD1 4.13Å; L162-I167 HydrophobicContact CB-CG1 3.84Å; L162-I167 HydrophobicContact CD2-CG1 4.42Å
163	S	97.7	Very high	96.6	Very high	64 Å²	64	63.8 Å²	63.8	45%	0.448	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-76.2	154	172.5	73.3	0	0	0	0	111.5	D165 E166 I167	S163-D165 VanDerWaalsContact C-N 3.28Å; S163-D165 PolarHBondContact O-N 2.89Å; S163-E166 PolarHBondContact O-N 2.8Å; S163-E166 VanDerWaalsContact O-N 3.16Å; S163-E166 WeakPolarHBondContact OG-CB 3.1Å; S163-E166 PolarHBondContact OG-N 3.13Å; S163-I167 WeakPolarHBondContact O-CD1 3.33Å; S163-I167 VanDerWaalsContact O-CG1 3.3Å; S163-I167 WeakPolarHBondContact O-CG1 3.33Å; S163-I167 PolarHBondContact O-N 3.22Å; S163-I167 VanDerWaalsContact O-N 3.09Å
164	L	96.6	Very high	96.5	Very high	93 Å²	93	63.6 Å²	63.6	49%	0.487	30%	0.302	S	S	.	.	H	α-helix	trans	-53.6	-45.7	176.1	177.2	60.7	0	0	0	112	L152 E166 I167 L168	L152-L164 HydrophobicContact CB-CD1 4.11Å; L152-L164 HydrophobicContact CD1-CD1 3.58Å; L152-L164 HydrophobicContact CD2-CD1 4.49Å; L152-L164 HydrophobicContact CG-CD1 4.26Å; L164-E166 VanDerWaalsContact C-N 3.31Å; L164-E166 PolarHBondContact O-N 3.13Å; L164-I167 PolarHBondContact O-N 3.2Å; L164-L168 HydrophobicContact CD1-CD1 3.85Å; L164-L168 HydrophobicContact CD1-CD2 4.42Å; L164-L168 HydrophobicContact CD1-CG 3.91Å; L164-L168 HydrophobicContact CG-CD1 3.92Å; L164-L168 HydrophobicContact CG-CG 4.34Å; L164-L168 WeakPolarHBondContact O-CG 3.32Å; L164-L168 PolarHBondContact O-N 3.49Å
165	D	97.6	Very high	96.4	Very high	113 Å²	113	68.4 Å²	68.4	60%	0.604	33%	0.325	S	S	*	.	H	α-helix	trans	-64.1	-35.8	-179	-67.3	-32.3	0	0	0	112.6	S163 R169	S163-D165 VanDerWaalsContact C-N 3.28Å; S163-D165 PolarHBondContact O-N 2.89Å; D165-R169 VanDerWaalsContact O-CB 3.25Å; D165-R169 WeakPolarHBondContact O-CB 3.38Å; D165-R169 PolarHBondContact O-N 3.25Å; D165-R169 VanDerWaalsContact O-N 3.11Å
166	E	97.3	Very high	96.2	Very high	55 Å²	55	68.6 Å²	68.6	26%	0.257	33%	0.326	S	S	.	.	H	α-helix	trans	-66.5	-47.3	175.8	-172	174.9	172.9	0	0	110.4	R157 L162 S163 L164 L168 R169 V170	R157-E166 IonicContact CZ-OE1 3.29Å; R157-E166 IonicContact NH1-OE1 3.56Å; R157-E166 IonicContact NH2-OE1 3.82Å; R157-E166 PolarHBondContact NH2-OE1 2.87Å; L162-E166 HydrophobicContact CD2-CG 4.05Å; L162-E166 HydrophobicContact CG-CG 4.45Å; S163-E166 PolarHBondContact O-N 2.8Å; S163-E166 VanDerWaalsContact O-N 3.16Å; S163-E166 WeakPolarHBondContact OG-CB 3.1Å; S163-E166 PolarHBondContact OG-N 3.13Å; L164-E166 VanDerWaalsContact C-N 3.31Å; L164-E166 PolarHBondContact O-N 3.13Å; E166-L168 PolarHBondContact O-N 3.02Å; E166-R169 PolarHBondContact O-N 2.96Å; E166-V170 HydrophobicContact CG-CG2 4.32Å; E166-V170 WeakPolarHBondContact O-CB 3.27Å; E166-V170 WeakPolarHBondContact O-CG2 3.09Å; E166-V170 PolarHBondContact O-N 3.28Å
167	I	97.1	Very high	95.8	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60.9	-49.3	-179.6	-60.5	159.6	0	0	0	110.8	L152 V155 L162 S163 L164 R169 V170 Y171	L152-I167 HydrophobicContact CD2-CG2 3.66Å; L152-I167 WeakPolarHBondContact O-CD1 3.31Å; V155-I167 HydrophobicContact CB-CD1 3.65Å; V155-I167 HydrophobicContact CB-CG1 3.87Å; V155-I167 HydrophobicContact CG1-CD1 4.45Å; V155-I167 HydrophobicContact CG1-CG1 4.12Å; V155-I167 HydrophobicContact CG2-CD1 3.63Å; V155-I167 HydrophobicContact CG2-CG1 3.95Å; V155-I167 HydrophobicContact CG2-CG2 4.06Å; L162-I167 HydrophobicContact CB-CD1 4.13Å; L162-I167 HydrophobicContact CB-CG1 3.84Å; L162-I167 HydrophobicContact CD2-CG1 4.42Å; S163-I167 WeakPolarHBondContact O-CD1 3.33Å; S163-I167 VanDerWaalsContact O-CG1 3.3Å; S163-I167 WeakPolarHBondContact O-CG1 3.33Å; S163-I167 PolarHBondContact O-N 3.22Å; S163-I167 VanDerWaalsContact O-N 3.09Å; L164-I167 PolarHBondContact O-N 3.2Å; I167-R169 VanDerWaalsContact C-N 3.26Å; I167-R169 PolarHBondContact O-N 3.5Å; I167-V170 PolarHBondContact O-N 3.47Å; I167-V170 VanDerWaalsContact O-N 3.16Å; I167-Y171 HydrophobicContact CG2-CD2 4.06Å; I167-Y171 PolarHBondContact O-N 2.94Å
168	L	96.5	Very high	95.3	Very high	63 Å²	63	68 Å²	68	33%	0.33	34%	0.335	S	S	.	.	H	α-helix	trans	-63.7	-33.2	-179.5	-67.4	179.6	0	0	0	112	L152 L164 E166 R172 G173	L152-L168 HydrophobicContact CD2-CD2 4.43Å; L164-L168 HydrophobicContact CD1-CD1 3.85Å; L164-L168 HydrophobicContact CD1-CD2 4.42Å; L164-L168 HydrophobicContact CD1-CG 3.91Å; L164-L168 HydrophobicContact CG-CD1 3.92Å; L164-L168 HydrophobicContact CG-CG 4.34Å; L164-L168 WeakPolarHBondContact O-CG 3.32Å; L164-L168 PolarHBondContact O-N 3.49Å; E166-L168 PolarHBondContact O-N 3.02Å; L168-R172 CarbonylContact O-C 3.58Å; L168-R172 WeakPolarHBondContact O-CA 3.45Å; L168-R172 PolarHBondContact O-N 2.89Å; L168-G173 PolarHBondContact O-N 2.94Å; L168-G173 VanDerWaalsContact O-N 3.13Å
169	R	96.5	Very high	94.6	Very high	201 Å²	201	72.3 Å²	72.3	76%	0.758	36%	0.358	S	S	*	.	H	α-helix	trans	-69.4	-43.3	173.8	-172.1	-173.2	-51.2	-175.2	3.6	111.9	D165 E166 I167	D165-R169 VanDerWaalsContact O-CB 3.25Å; D165-R169 WeakPolarHBondContact O-CB 3.38Å; D165-R169 PolarHBondContact O-N 3.25Å; D165-R169 VanDerWaalsContact O-N 3.11Å; E166-R169 PolarHBondContact O-N 2.96Å; I167-R169 VanDerWaalsContact C-N 3.26Å; I167-R169 PolarHBondContact O-N 3.5Å
170	V	94.4	Very high	94.1	Very high	42 Å²	42	71.4 Å²	71.4	26%	0.255	36%	0.355	S	S	.	.	H	α-helix	trans	-68.1	-42.5	-176.3	167.9	0	0	0	0	112.1	R138 L140 E166 I167	R138-V170 VanDerWaalsContact NE-CG1 3.33Å; L140-V170 HydrophobicContact CD1-CG1 4.07Å; E166-V170 HydrophobicContact CG-CG2 4.32Å; E166-V170 WeakPolarHBondContact O-CB 3.27Å; E166-V170 WeakPolarHBondContact O-CG2 3.09Å; E166-V170 PolarHBondContact O-N 3.28Å; I167-V170 PolarHBondContact O-N 3.47Å; I167-V170 VanDerWaalsContact O-N 3.16Å
171	Y	93.6	Very high	93.5	Very high	24 Å²	24	65.3 Å²	65.3	9%	0.094	33%	0.329	C	S	.	.	H	α-helix	trans	-102.2	-1.9	-177.6	-68.3	-73.6	0	0	0	114.2	D135 L140 M142 I150 I167 G173 L176	D135-Y171 WeakPolarHBondContact CB-OH 3.13Å; D135-Y171 PolarHBondContact OD2-OH 2.85Å; L140-Y171 HydrophobicContact CD1-CE2 3.93Å; M142-Y171 WeakPolarHBondContact CE-OH 3.37Å; M142-Y171 HydrophobicContact SD-CE2 4.32Å; I150-Y171 HydrophobicContact CD1-CD1 4.05Å; I150-Y171 HydrophobicContact CD1-CD2 3.48Å; I150-Y171 VanDerWaalsContact CD1-CD2 3.48Å; I150-Y171 HydrophobicContact CD1-CE1 4.44Å; I150-Y171 HydrophobicContact CD1-CE2 3.9Å; I150-Y171 HydrophobicContact CD1-CG 3.56Å; I167-Y171 HydrophobicContact CG2-CD2 4.06Å; I167-Y171 PolarHBondContact O-N 2.94Å; Y171-G173 VanDerWaalsContact C-N 3.27Å; Y171-G173 WeakPolarHBondContact CB-O 3.45Å; Y171-G173 PolarHBondContact O-N 3.16Å; Y171-L176 HydrophobicContact CD1-CD2 3.62Å; Y171-L176 HydrophobicContact CE1-CD2 3.86Å; Y171-L176 HydrophobicContact CG-CD2 4.44Å
172	R	92.5	Very high	92.5	Very high	237 Å²	237	66.6 Å²	66.6	89%	0.894	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	42.1	-175.7	-55.5	179.5	179.6	179.8	-0.9	112.2	L168	L168-R172 CarbonylContact O-C 3.58Å; L168-R172 WeakPolarHBondContact O-CA 3.45Å; L168-R172 PolarHBondContact O-N 2.89Å
173	G	93.4	Very high	91	Very high	25 Å²	25	70.3 Å²	70.3	26%	0.258	35%	0.348	S	S	.	.	S	Bend	trans	130.5	-162.8	-173.2	0	0	0	0	0	112	L168 Y171	L168-G173 PolarHBondContact O-N 2.94Å; L168-G173 VanDerWaalsContact O-N 3.13Å; Y171-G173 VanDerWaalsContact C-N 3.27Å; Y171-G173 WeakPolarHBondContact CB-O 3.45Å; Y171-G173 PolarHBondContact O-N 3.16Å
174	S	93.6	Very high	88.9	Confident	39 Å²	39	73.5 Å²	73.5	27%	0.273	35%	0.354	S	S	.	.	S	Bend	trans	-106.9	-9.9	177.5	59.5	0	0	0	0	113.7	H149 I150	H149-S174 CarbonylContact C-O 3.58Å; H149-S174 WeakPolarHBondContact CA-O 3.38Å; I150-S174 WeakPolarHBondContact CG1-O 3.48Å; I150-S174 PolarHBondContact N-O 3.21Å
175	H	95.3	Very high	86.7	Confident	102 Å²	102	77 Å²	77	47%	0.472	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-89.8	134.5	-175.4	-177.2	78.7	0	0	0	111.8	H149	H149-H175 AromaticContact NE2-ND1 3.69Å
176	L	93.2	Very high	84.3	Confident	3 Å²	3	74.6 Å²	74.6	2%	0.016	36%	0.355	C	S	.	.			trans	-104.7	134.1	172.4	-66.5	173.4	0	0	0	109.6	M142 V144 H148 I150 Y171 L181 M192	M142-L176 HydrophobicContact SD-CD1 4.43Å; V144-L176 HydrophobicContact CG1-CD1 4.27Å; V144-L176 HydrophobicContact CG2-CD1 3.69Å; H148-L176 WeakPolarHBondContact CB-O 3.47Å; H148-L176 PolarHBondContact O-N 3.28Å; I150-L176 HydrophobicContact CD1-CD1 4.29Å; I150-L176 HydrophobicContact CD1-CD2 4Å; I150-L176 HydrophobicContact CD1-CG 4.03Å; I150-L176 HydrophobicContact CG1-CD1 3.74Å; I150-L176 HydrophobicContact CG1-CD2 4.33Å; I150-L176 HydrophobicContact CG1-CG 3.81Å; Y171-L176 HydrophobicContact CD1-CD2 3.62Å; Y171-L176 HydrophobicContact CE1-CD2 3.86Å; Y171-L176 HydrophobicContact CG-CD2 4.44Å; L176-L181 HydrophobicContact CB-CD1 4.36Å; L176-L181 HydrophobicContact CB-CG 4.34Å; L176-L181 HydrophobicContact CD1-CD2 4.05Å; L176-M192 HydrophobicContact CD1-CE 4.23Å; L176-M192 HydrophobicContact CD2-CE 4.49Å
177	S	90	Very high	82	Confident	48 Å²	48	78.6 Å²	78.6	34%	0.336	39%	0.386	S	S	.	.			trans	-65	150.8	175.6	73.5	0	0	0	0	111.4	D179 I180 L181	S177-D179 PolarHBondContact O-N 3.18Å; S177-I180 PolarHBondContact O-N 3.08Å; S177-I180 WeakPolarHBondContact OG-CD1 3.23Å; S177-I180 WeakPolarHBondContact OG-CG1 3.44Å; S177-I180 PolarHBondContact OG-N 3.01Å; S177-L181 PolarHBondContact O-N 2.99Å
178	S	86.9	Confident	79.7	Confident	30 Å²	30	85.9 Å²	85.9	21%	0.21	43%	0.425	C	S	.	.	H	α-helix	trans	-61.5	-28	176.3	-176.8	0	0	0	0	112.9	L181 K182	S178-L181 PolarHBondContact O-N 2.96Å; S178-K182 WeakPolarHBondContact O-CB 3.35Å; S178-K182 VanDerWaalsContact O-CG 3.31Å; S178-K182 WeakPolarHBondContact O-CG 3.21Å; S178-K182 PolarHBondContact O-N 2.8Å; S178-K182 WeakPolarHBondContact OG-CD 3.2Å; S178-K182 WeakPolarHBondContact OG-CE 3.28Å; S178-K182 PolarHBondContact OG-NZ 2.81Å
179	D	84.1	Confident	77.9	Confident	92 Å²	92	86.9 Å²	86.9	49%	0.492	43%	0.431	S	S	.	.	H	α-helix	trans	-69.8	-37.3	-178.5	-66.3	-42.3	0	0	0	111.4	S177	S177-D179 PolarHBondContact O-N 3.18Å
180	I	85.7	Confident	76.5	Confident	41 Å²	41	78.4 Å²	78.4	21%	0.21	40%	0.401	C	S	.	.	H	α-helix	trans	-61.5	-47.1	173.3	-66.9	167.9	0	0	0	110.3	S177 M192	S177-I180 PolarHBondContact O-N 3.08Å; S177-I180 WeakPolarHBondContact OG-CD1 3.23Å; S177-I180 WeakPolarHBondContact OG-CG1 3.44Å; S177-I180 PolarHBondContact OG-N 3.01Å; I180-M192 HydrophobicContact CG2-CB 3.6Å; I180-M192 HydrophobicContact CG2-CE 3.9Å; I180-M192 HydrophobicContact CG2-CG 4.16Å; I180-M192 WeakPolarHBondContact O-CB 3.47Å
181	L	86.3	Confident	75.9	Confident	5 Å²	5	79.6 Å²	79.6	3%	0.026	41%	0.405	C	S	.	.	H	α-helix	trans	-74.5	-26.9	-174.9	-65.2	175.3	0	0	0	114.2	V144 H148 L176 S177 S178 Q183 M192 Y469	V144-L181 HydrophobicContact CG1-CD1 4.14Å; V144-L181 HydrophobicContact CG1-CD2 4.36Å; V144-L181 HydrophobicContact CG2-CD2 4.48Å; H148-L181 HydrophobicContact CB-CD1 3.63Å; H148-L181 VanDerWaalsContact CG-CD1 3.48Å; L176-L181 HydrophobicContact CB-CD1 4.36Å; L176-L181 HydrophobicContact CB-CG 4.34Å; L176-L181 HydrophobicContact CD1-CD2 4.05Å; S177-L181 PolarHBondContact O-N 2.99Å; S178-L181 PolarHBondContact O-N 2.96Å; L181-Q183 VanDerWaalsContact C-N 3.27Å; L181-Q183 PolarHBondContact O-N 3.44Å; L181-M192 HydrophobicContact CD2-CG 4.18Å; L181-Y469 HydrophobicContact CD1-CD2 4.25Å; L181-Y469 HydrophobicContact CD1-CE2 4.03Å
182	K	76.1	Confident	75.8	Confident	111 Å²	111	78.5 Å²	78.5	48%	0.483	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	3.8	-176	-78.6	177.5	177.7	160.1	0	114.5	S178 K184	S178-K182 WeakPolarHBondContact O-CB 3.35Å; S178-K182 VanDerWaalsContact O-CG 3.31Å; S178-K182 WeakPolarHBondContact O-CG 3.21Å; S178-K182 PolarHBondContact O-N 2.8Å; S178-K182 WeakPolarHBondContact OG-CD 3.2Å; S178-K182 WeakPolarHBondContact OG-CE 3.28Å; S178-K182 PolarHBondContact OG-NZ 2.81Å; K182-K184 PolarHBondContact O-N 3.1Å
183	Q	65.8	Low	75.7	Confident	88 Å²	88	68.1 Å²	68.1	41%	0.411	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	35.1	178.9	-61.5	175.8	20.8	0	0	113.2	L181 F185 M192	L181-Q183 VanDerWaalsContact C-N 3.27Å; L181-Q183 PolarHBondContact O-N 3.44Å; Q183-F185 VanDerWaalsContact C-N 3.34Å; Q183-F185 PolarHBondContact O-N 3.21Å; Q183-M192 VanDerWaalsContact CG-O 3.25Å; Q183-M192 WeakPolarHBondContact CG-O 3.38Å
184	K	54.6	Low	75.7	Confident	132 Å²	132	67.5 Å²	67.5	57%	0.574	35%	0.354	S	S	*	.			trans	-68.2	101.5	168.1	-74.2	-176.4	179.1	175.6	0	106.3	K182 T186	K182-K184 PolarHBondContact O-N 3.1Å; K184-T186 VanDerWaalsContact C-N 3.26Å; K184-T186 PolarHBondContact O-N 3.4Å
185	F	50	Low	75.7	Confident	165 Å²	165	65.7 Å²	65.7	72%	0.724	34%	0.341	S	S	*	.			trans	-61.3	92.4	172	-73.9	-84.7	0	0	0	108.4	Q183 I191	Q183-F185 VanDerWaalsContact C-N 3.34Å; Q183-F185 PolarHBondContact O-N 3.21Å; F185-I191 HydrophobicContact CE1-CD1 4.47Å
186	T	48.2	Very low	75.4	Confident	64 Å²	64	61.1 Å²	61.1	39%	0.393	32%	0.32	S	S	.	.			trans	-96.4	144.8	153.6	83.2	0	0	0	0	107.2	K184 N188 D189	K184-T186 VanDerWaalsContact C-N 3.26Å; K184-T186 PolarHBondContact O-N 3.4Å; T186-N188 PolarHBondContact O-N 2.97Å; T186-D189 PolarHBondContact O-N 2.6Å; T186-D189 WeakPolarHBondContact OG1-CB 3.41Å; T186-D189 PolarHBondContact OG1-N 3.49Å; T186-D189 PolarHBondContact OG1-OD2 2.8Å
187	P	49.3	Very low	75.3	Confident	138 Å²	138	63.3 Å²	63.3	90%	0.896	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-18.7	-177.8	-25.4	32.8	0	0	0	115.1
188	N	48.5	Very low	75.4	Confident	153 Å²	153	61.9 Å²	61.9	82%	0.818	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-2.3	-174.4	-77.2	-11.7	0	0	0	114.4	T186	T186-N188 PolarHBondContact O-N 2.97Å
189	D	58.4	Low	75.6	Confident	85 Å²	85	61.7 Å²	61.7	46%	0.455	32%	0.315	S	S	.	.	S	Bend	trans	-92.6	154.9	-173.7	-79	-36.5	0	0	0	114.5	T186 I191	T186-D189 PolarHBondContact O-N 2.6Å; T186-D189 WeakPolarHBondContact OG1-CB 3.41Å; T186-D189 PolarHBondContact OG1-N 3.49Å; T186-D189 PolarHBondContact OG1-OD2 2.8Å; D189-I191 PolarHBondContact O-N 3.23Å
190	T	66.3	Low	75.9	Confident	23 Å²	23	60 Å²	60	14%	0.141	30%	0.302	C	S	.	.			trans	-67.9	120.2	176.3	-46.9	0	0	0	0	108.4	D135 K137 M192	D135-T190 VanDerWaalsContact OD1-CG2 3.23Å; D135-T190 WeakPolarHBondContact OD1-CG2 3.24Å; K137-T190 HydrophobicContact CB-CG2 3.6Å; K137-T190 HydrophobicContact CD-CG2 3.97Å; K137-T190 HydrophobicContact CG-CG2 4.45Å; T190-M192 PolarHBondContact O-N 3.46Å
191	I	82.2	Confident	76.4	Confident	66 Å²	66	58.7 Å²	58.7	34%	0.338	30%	0.295	S	S	.	.			trans	-74.9	108.7	175.5	-54	173.2	0	0	0	108.1	V136 F185 D189 I193	V136-I191 HydrophobicContact CB-CB 4.06Å; V136-I191 WeakPolarHBondContact CB-O 3.47Å; V136-I191 HydrophobicContact CG2-CB 4.09Å; V136-I191 HydrophobicContact CG2-CG2 3.99Å; V136-I191 WeakPolarHBondContact CG2-O 3.32Å; V136-I191 PolarHBondContact N-O 3.29Å; F185-I191 HydrophobicContact CE1-CD1 4.47Å; D189-I191 PolarHBondContact O-N 3.23Å; I191-I193 HydrophobicContact CG2-CD1 4.3Å; I191-I193 HydrophobicContact CG2-CG1 3.85Å
192	M	91	Very high	76.9	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.3	170	-174.8	71	71.6	0	0	109.1	H133 F134 D135 M142 L176 I180 L181 Q183 T190	H133-M192 HydrophobicContact CB-CG 4.15Å; H133-M192 HydrophobicContact CB-SD 3.74Å; F134-M192 VanDerWaalsContact C-SD 3.55Å; F134-M192 WeakPolarHBondContact O-CA 3.31Å; D135-M192 HydrophobicContact CB-CE 3.75Å; D135-M192 HydrophobicContact CB-SD 3.99Å; M142-M192 HydrophobicContact CE-CE 4.25Å; M142-M192 HydrophobicContact CE-SD 4.33Å; M142-M192 HydrophobicContact SD-CE 4.32Å; L176-M192 HydrophobicContact CD1-CE 4.23Å; L176-M192 HydrophobicContact CD2-CE 4.49Å; I180-M192 HydrophobicContact CG2-CB 3.6Å; I180-M192 HydrophobicContact CG2-CE 3.9Å; I180-M192 HydrophobicContact CG2-CG 4.16Å; I180-M192 WeakPolarHBondContact O-CB 3.47Å; L181-M192 HydrophobicContact CD2-CG 4.18Å; Q183-M192 VanDerWaalsContact CG-O 3.25Å; Q183-M192 WeakPolarHBondContact CG-O 3.38Å; T190-M192 PolarHBondContact O-N 3.46Å
193	I	91.1	Very high	77.9	Confident	18 Å²	18	53.2 Å²	53.2	9%	0.092	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.2	-176.9	-59.4	171.5	0	0	0	108.5	H133 F134 V136 I191 L195 Y227	H133-I193 CarbonylContact C-O 3.37Å; H133-I193 WeakPolarHBondContact CA-O 3.17Å; F134-I193 PolarHBondContact N-O 2.64Å; F134-I193 PolarHBondContact O-N 3.38Å; V136-I193 HydrophobicContact CG2-CD1 3.4Å; V136-I193 HydrophobicContact CG2-CG1 3.89Å; I191-I193 HydrophobicContact CG2-CD1 4.3Å; I191-I193 HydrophobicContact CG2-CG1 3.85Å; I193-L195 HydrophobicContact CG2-CD2 4.27Å; I193-Y227 HydrophobicContact CD1-CD2 4.08Å; I193-Y227 HydrophobicContact CD1-CE1 3.96Å; I193-Y227 HydrophobicContact CD1-CE2 3.16Å; I193-Y227 WeakPolarHBondContact CD1-OH 3.46Å
194	Q	93.1	Very high	79.4	Confident	13 Å²	13	49 Å²	49	6%	0.061	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	128.2	168.8	-171.8	-177	8.6	0	0	109.3	M196 Y373	Q194-M196 HydrophobicContact CB-CG 4.41Å; Q194-M196 HydrophobicContact CG-CG 3.93Å; Q194-M196 HydrophobicContact CG-SD 3.83Å; Q194-M196 PolarHBondContact NE2-SD 3.41Å; Q194-M196 PolarHBondContact O-N 3.35Å; Q194-Y373 PolarHBondContact OE1-OH 3.32Å
195	L	93.1	Very high	81.4	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.224	C	C	.	.			trans	-80.2	100.1	177.5	-52.3	-173.4	0	0	0	109.5	R130 G131 L132 L141 I193 I204	R130-L195 CarbonylContact C-O 3.59Å; R130-L195 WeakPolarHBondContact CG-O 3.39Å; G131-L195 PolarHBondContact N-O 3.08Å; L132-L195 HydrophobicContact CB-CD1 4.04Å; L132-L195 HydrophobicContact CB-CG 4.44Å; L132-L195 PolarHBondContact O-N 3.16Å; L141-L195 HydrophobicContact CD1-CD1 4.02Å; I193-L195 HydrophobicContact CG2-CD2 4.27Å; L195-I204 HydrophobicContact CD1-CB 4.06Å; L195-I204 HydrophobicContact CD1-CD1 4.41Å; L195-I204 HydrophobicContact CD1-CG1 3.63Å; L195-I204 HydrophobicContact CD1-CG2 3.94Å; L195-I204 HydrophobicContact CD2-CD1 3.68Å; L195-I204 HydrophobicContact CD2-CG1 3.43Å; L195-I204 VanDerWaalsContact CD2-CG1 3.43Å; L195-I204 HydrophobicContact CG-CG1 4.16Å
196	M	89.9	Confident	83.7	Confident	6 Å²	6	34.9 Å²	34.9	3%	0.03	19%	0.19	C	C	.	.			trans	-112	-26.2	-178.9	-67.9	-58.6	-57.5	0	0	113.7	R130 Q194 V372 Y373 F470	R130-M196 WeakPolarHBondContact CD-O 3.4Å; Q194-M196 HydrophobicContact CB-CG 4.41Å; Q194-M196 HydrophobicContact CG-CG 3.93Å; Q194-M196 HydrophobicContact CG-SD 3.83Å; Q194-M196 PolarHBondContact NE2-SD 3.41Å; Q194-M196 PolarHBondContact O-N 3.35Å; M196-V372 HydrophobicContact CE-CB 3.72Å; M196-V372 HydrophobicContact CE-CG2 3.69Å; M196-Y373 HydrophobicContact CE-CD2 4.5Å; M196-Y373 HydrophobicContact CE-CE2 4.28Å; M196-Y373 HydrophobicContact CG-CD2 3.95Å; M196-Y373 HydrophobicContact CG-CE2 3.7Å; M196-Y373 HydrophobicContact SD-CE2 4.11Å; M196-F470 HydrophobicContact CE-CD2 3.59Å; M196-F470 HydrophobicContact CE-CE2 3.61Å; M196-F470 HydrophobicContact SD-CD2 3.8Å; M196-F470 HydrophobicContact SD-CE2 4.34Å
197	D	90.5	Very high	86.1	Confident	49 Å²	49	31.9 Å²	31.9	26%	0.262	17%	0.171	S	C	.	.			trans	-99.6	133.3	-176.4	-176.2	-8.5	0	0	0	109.4	F199 R200	D197-F199 VanDerWaalsContact C-N 3.25Å; D197-F199 PolarHBondContact O-N 3.44Å; D197-F199 WeakPolarHBondContact OD1-CB 3.5Å; D197-F199 VanDerWaalsContact OD1-CD2 3.27Å; D197-F199 WeakPolarHBondContact OD1-CD2 3.39Å; D197-F199 PolarHBondContact OD1-N 3.43Å; D197-R200 HydrophobicContact CB-CG 3.87Å; D197-R200 WeakPolarHBondContact O-CB 3.48Å; D197-R200 PolarHBondContact O-N 3.04Å; D197-R200 VanDerWaalsContact O-N 3.15Å
198	F	91.9	Very high	88.4	Confident	17 Å²	17	25.3 Å²	25.3	8%	0.075	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-61.8	-34.1	175.9	-73.2	-78.5	0	0	0	112.4	Y88 R130 R200 L201 P392 E393	Y88-F198 HydrophobicContact CD1-CB 3.98Å; Y88-F198 HydrophobicContact CD1-CD1 4.41Å; Y88-F198 AromaticContact CD1-CD2 3.44Å; Y88-F198 HydrophobicContact CD1-CD2 3.44Å; Y88-F198 VanDerWaalsContact CD1-CD2 3.44Å; Y88-F198 AromaticContact CD1-CE2 3.96Å; Y88-F198 HydrophobicContact CD1-CE2 3.96Å; Y88-F198 AromaticContact CD1-CG 3.7Å; Y88-F198 HydrophobicContact CD1-CG 3.7Å; Y88-F198 HydrophobicContact CD2-CB 3.9Å; Y88-F198 AromaticContact CD2-CD2 3.92Å; Y88-F198 HydrophobicContact CD2-CD2 3.92Å; Y88-F198 HydrophobicContact CD2-CG 4.27Å; Y88-F198 HydrophobicContact CE1-CB 3.5Å; Y88-F198 VanDerWaalsContact CE1-CB 3.5Å; Y88-F198 HydrophobicContact CE1-CD1 4.16Å; Y88-F198 AromaticContact CE1-CD2 3.87Å; Y88-F198 HydrophobicContact CE1-CD2 3.87Å; Y88-F198 AromaticContact CE1-CG 3.59Å; Y88-F198 HydrophobicContact CE1-CG 3.59Å; Y88-F198 HydrophobicContact CE2-CB 3.42Å; Y88-F198 VanDerWaalsContact CE2-CB 3.42Å; Y88-F198 HydrophobicContact CE2-CD2 4.31Å; Y88-F198 HydrophobicContact CE2-CG 4.19Å; Y88-F198 HydrophobicContact CG-CB 4.16Å; Y88-F198 AromaticContact CG-CD2 3.47Å; Y88-F198 HydrophobicContact CG-CD2 3.47Å; Y88-F198 VanDerWaalsContact CG-CD2 3.47Å; Y88-F198 HydrophobicContact CG-CE2 4.13Å; Y88-F198 HydrophobicContact CG-CG 4.04Å; Y88-F198 AromaticContact CZ-CG 3.84Å; Y88-F198 WeakPolarHBondContact OH-CB 3.15Å; R130-F198 VanDerWaalsContact CZ-CZ 3.5Å; F198-R200 PolarHBondContact O-N 3.24Å; F198-L201 HydrophobicContact CD1-CD1 3.87Å; F198-L201 WeakPolarHBondContact O-CB 3.25Å; F198-L201 WeakPolarHBondContact O-CG 3.44Å; F198-L201 PolarHBondContact O-N 3.19Å; F198-P392 HydrophobicContact CE2-CG 4.37Å; F198-P392 HydrophobicContact CZ-CG 4.06Å; F198-E393 HydrophobicContact CE1-CG 4.43Å; F198-E393 VanDerWaalsContact CE1-OE1 3.31Å; F198-E393 WeakPolarHBondContact CE1-OE1 3.19Å; F198-E393 VanDerWaalsContact CZ-CD 3.49Å; F198-E393 WeakPolarHBondContact CZ-OE1 3.42Å; F198-E393 WeakPolarHBondContact CZ-OE2 3.4Å
199	F	90.8	Very high	90.8	Very high	26 Å²	26	18.1 Å²	18.1	11%	0.114	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-62.9	-12.9	176.8	-67.9	-63.2	0	0	0	113.5	D87 Y88 Y93 L97 I101 D197 H238 L243	D87-F199 HydrophobicContact CB-CE2 4.27Å; Y88-F199 HydrophobicContact CD2-CE2 4.02Å; Y88-F199 HydrophobicContact CD2-CZ 4.27Å; Y88-F199 HydrophobicContact CE2-CD1 4.26Å; Y88-F199 AromaticContact CE2-CD2 3.99Å; Y88-F199 HydrophobicContact CE2-CD2 3.99Å; Y88-F199 AromaticContact CE2-CE1 3.94Å; Y88-F199 HydrophobicContact CE2-CE1 3.94Å; Y88-F199 AromaticContact CE2-CE2 3.64Å; Y88-F199 HydrophobicContact CE2-CE2 3.64Å; Y88-F199 HydrophobicContact CE2-CG 4.29Å; Y88-F199 AromaticContact CE2-CZ 3.62Å; Y88-F199 HydrophobicContact CE2-CZ 3.62Å; Y93-F199 HydrophobicContact CD2-CZ 4.35Å; Y93-F199 AromaticContact CE2-CZ 3.92Å; Y93-F199 HydrophobicContact CE2-CZ 3.92Å; L97-F199 HydrophobicContact CD2-CE1 4Å; I101-F199 HydrophobicContact CD1-CD1 3.91Å; D197-F199 VanDerWaalsContact C-N 3.25Å; D197-F199 PolarHBondContact O-N 3.44Å; D197-F199 WeakPolarHBondContact OD1-CB 3.5Å; D197-F199 VanDerWaalsContact OD1-CD2 3.27Å; D197-F199 WeakPolarHBondContact OD1-CD2 3.39Å; D197-F199 PolarHBondContact OD1-N 3.43Å; F199-H238 WeakPolarHBondContact CB-NE2 3.49Å; F199-H238 AromaticContact CD1-NE2 3.64Å; F199-H238 AromaticContact CG-NE2 3.68Å; F199-L243 HydrophobicContact CD1-CD1 4.35Å; F199-L243 HydrophobicContact CE1-CD1 4.29Å
200	R	91.8	Very high	92.7	Very high	57 Å²	57	14 Å²	14	22%	0.215	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-91.5	-10.7	176.2	-59.6	-73.5	-65.3	-176	1.8	113.3	D197 F198 E203 I204 Y227	D197-R200 HydrophobicContact CB-CG 3.87Å; D197-R200 WeakPolarHBondContact O-CB 3.48Å; D197-R200 PolarHBondContact O-N 3.04Å; D197-R200 VanDerWaalsContact O-N 3.15Å; F198-R200 PolarHBondContact O-N 3.24Å; R200-E203 WeakPolarHBondContact CD-OE2 3.42Å; R200-E203 IonicContact CZ-OE1 2.78Å; R200-E203 IonicContact CZ-OE2 3.14Å; R200-E203 IonicContact NE-OE1 3.36Å; R200-E203 IonicContact NE-OE2 2.65Å; R200-E203 PolarHBondContact NE-OE2 3.05Å; R200-E203 IonicContact NH1-OE1 3.64Å; R200-E203 PolarHBondContact NH1-OE1 3.25Å; R200-E203 IonicContact NH1-OE2 3.88Å; R200-E203 PolarHBondContact NH1-OE2 2.5Å; R200-E203 VanDerWaalsContact NH2-CD 3.33Å; R200-E203 IonicContact NH2-OE1 2.83Å; R200-E203 PolarHBondContact NH2-OE1 3.39Å; R200-E203 IonicContact NH2-OE2 3.35Å; R200-E203 WeakPolarHBondContact O-CB 3.48Å; R200-E203 PolarHBondContact O-N 3.48Å; R200-I204 WeakPolarHBondContact O-CG1 3.38Å; R200-I204 PolarHBondContact O-N 3.47Å; R200-I204 VanDerWaalsContact O-N 3.09Å; R200-Y227 PolarHBondContact NH2-OH 3.3Å
201	L	95.3	Very high	94.2	Very high	14 Å²	14	13 Å²	13	7%	0.073	6%	0.062	C	C	.	.	H	α-helix	trans	-64.8	-44.8	178.4	-58.3	179	0	0	0	112.3	A128 F198 E203 I204 N205	A128-L201 HydrophobicContact CB-CD2 4.28Å; F198-L201 HydrophobicContact CD1-CD1 3.87Å; F198-L201 WeakPolarHBondContact O-CB 3.25Å; F198-L201 WeakPolarHBondContact O-CG 3.44Å; F198-L201 PolarHBondContact O-N 3.19Å; L201-E203 VanDerWaalsContact C-N 3.27Å; L201-E203 PolarHBondContact O-N 3.45Å; L201-I204 PolarHBondContact O-N 2.92Å; L201-N205 PolarHBondContact O-N 2.88Å
202	P	96.9	Very high	95	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-59	-39.4	173.4	-26	36.7	0	0	0	112.7	D98 I101 F102 Y124 N205 L206	D98-P202 HydrophobicContact CB-CG 3.74Å; D98-P202 WeakPolarHBondContact O-CB 3.36Å; D98-P202 WeakPolarHBondContact O-CG 3.4Å; I101-P202 HydrophobicContact CB-CB 4Å; I101-P202 HydrophobicContact CB-CG 4.09Å; I101-P202 HydrophobicContact CD1-CG 4.4Å; I101-P202 HydrophobicContact CG2-CB 3.83Å; I101-P202 HydrophobicContact CG2-CG 4.18Å; F102-P202 HydrophobicContact CB-CB 4.1Å; Y124-P202 HydrophobicContact CE2-CB 4.41Å; Y124-P202 HydrophobicContact CE2-CG 4.43Å; P202-N205 WeakPolarHBondContact O-CB 3.38Å; P202-N205 PolarHBondContact O-N 3.45Å; P202-L206 WeakPolarHBondContact O-CB 3.19Å; P202-L206 PolarHBondContact O-N 3.2Å
203	E	97	Very high	95.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61.7	-47.2	178.9	-177.7	173.2	150.8	0	0	112.7	R200 L201 N205 L206 L207 V230 S231 V234	R200-E203 WeakPolarHBondContact CD-OE2 3.42Å; R200-E203 IonicContact CZ-OE1 2.78Å; R200-E203 IonicContact CZ-OE2 3.14Å; R200-E203 IonicContact NE-OE1 3.36Å; R200-E203 IonicContact NE-OE2 2.65Å; R200-E203 PolarHBondContact NE-OE2 3.05Å; R200-E203 IonicContact NH1-OE1 3.64Å; R200-E203 PolarHBondContact NH1-OE1 3.25Å; R200-E203 IonicContact NH1-OE2 3.88Å; R200-E203 PolarHBondContact NH1-OE2 2.5Å; R200-E203 VanDerWaalsContact NH2-CD 3.33Å; R200-E203 IonicContact NH2-OE1 2.83Å; R200-E203 PolarHBondContact NH2-OE1 3.39Å; R200-E203 IonicContact NH2-OE2 3.35Å; R200-E203 WeakPolarHBondContact O-CB 3.48Å; R200-E203 PolarHBondContact O-N 3.48Å; L201-E203 VanDerWaalsContact C-N 3.27Å; L201-E203 PolarHBondContact O-N 3.45Å; E203-N205 VanDerWaalsContact C-N 3.3Å; E203-L206 PolarHBondContact O-N 3.41Å; E203-L207 WeakPolarHBondContact O-CB 3.42Å; E203-L207 PolarHBondContact O-N 3.02Å; E203-V230 HydrophobicContact CG-CG1 3.6Å; E203-S231 PolarHBondContact OE1-OG 2.99Å; E203-V234 HydrophobicContact CB-CB 4.43Å; E203-V234 HydrophobicContact CB-CG1 4.27Å; E203-V234 HydrophobicContact CB-CG2 3.81Å; E203-V234 HydrophobicContact CG-CB 4.36Å; E203-V234 HydrophobicContact CG-CG2 3.84Å; E203-V234 WeakPolarHBondContact OE2-CG1 3.34Å
204	I	96.9	Very high	95.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-70.9	-33.7	179.9	-64.7	-66.8	0	0	0	110.8	A128 F134 L141 L195 R200 L201 L206 L207 C208	A128-I204 HydrophobicContact CB-CB 4.03Å; A128-I204 HydrophobicContact CB-CG2 3.79Å; F134-I204 HydrophobicContact CB-CD1 4.22Å; F134-I204 HydrophobicContact CG-CD1 4.25Å; L141-I204 HydrophobicContact CD1-CG2 3.95Å; L141-I204 HydrophobicContact CD2-CG2 4.02Å; L195-I204 HydrophobicContact CD1-CB 4.06Å; L195-I204 HydrophobicContact CD1-CD1 4.41Å; L195-I204 HydrophobicContact CD1-CG1 3.63Å; L195-I204 HydrophobicContact CD1-CG2 3.94Å; L195-I204 HydrophobicContact CD2-CD1 3.68Å; L195-I204 HydrophobicContact CD2-CG1 3.43Å; L195-I204 VanDerWaalsContact CD2-CG1 3.43Å; L195-I204 HydrophobicContact CG-CG1 4.16Å; R200-I204 WeakPolarHBondContact O-CG1 3.38Å; R200-I204 PolarHBondContact O-N 3.47Å; R200-I204 VanDerWaalsContact O-N 3.09Å; L201-I204 PolarHBondContact O-N 2.92Å; I204-L206 VanDerWaalsContact C-N 3.35Å; I204-L207 HydrophobicContact CD1-CD2 4.11Å; I204-L207 PolarHBondContact O-N 3.16Å; I204-C208 WeakPolarHBondContact O-CB 3.5Å; I204-C208 PolarHBondContact O-N 2.99Å; I204-C208 PolarHBondContact O-SG 3.37Å
205	N	97.7	Very high	95.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.6	-49.4	170.6	-166.4	-79.6	0	0	0	111	F102 Y124 T125 L201 P202 E203 L207 C208 S209	F102-N205 HydrophobicContact CD2-CB 4.15Å; F102-N205 HydrophobicContact CE2-CB 4.19Å; F102-N205 WeakPolarHBondContact CE2-OD1 3.37Å; Y124-N205 HydrophobicContact CD2-CB 3.96Å; Y124-N205 HydrophobicContact CE2-CB 3.97Å; T125-N205 PolarHBondContact O-ND2 2.71Å; T125-N205 PolarHBondContact OG1-ND2 2.74Å; L201-N205 PolarHBondContact O-N 2.88Å; P202-N205 WeakPolarHBondContact O-CB 3.38Å; P202-N205 PolarHBondContact O-N 3.45Å; E203-N205 VanDerWaalsContact C-N 3.3Å; N205-L207 VanDerWaalsContact C-N 3.35Å; N205-L207 PolarHBondContact O-N 3.33Å; N205-C208 WeakPolarHBondContact O-CB 3.27Å; N205-C208 PolarHBondContact O-N 3.3Å; N205-C208 VanDerWaalsContact O-N 3.16Å; N205-S209 PolarHBondContact O-N 3.45Å; N205-S209 PolarHBondContact O-OG 2.91Å; N205-S209 VanDerWaalsContact O-OG 3.1Å
206	L	98.3	Very high	96.1	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-61.7	-42.3	178.6	-178.5	56.3	0	0	0	112.2	F102 R106 L109 P202 E203 I204 C208 S209 I210 V230	F102-L206 HydrophobicContact CD2-CB 3.81Å; F102-L206 VanDerWaalsContact CE2-CA 3.46Å; F102-L206 HydrophobicContact CE2-CB 3.73Å; F102-L206 HydrophobicContact CE2-CD1 4.02Å; F102-L206 HydrophobicContact CE2-CG 4.48Å; F102-L206 HydrophobicContact CZ-CD1 4.11Å; R106-L206 HydrophobicContact CB-CD1 3.85Å; R106-L206 HydrophobicContact CB-CD2 4.43Å; R106-L206 HydrophobicContact CG-CD1 4.08Å; L109-L206 HydrophobicContact CD1-CD2 3.85Å; L109-L206 HydrophobicContact CD1-CG 4.31Å; P202-L206 WeakPolarHBondContact O-CB 3.19Å; P202-L206 PolarHBondContact O-N 3.2Å; E203-L206 PolarHBondContact O-N 3.41Å; I204-L206 VanDerWaalsContact C-N 3.35Å; L206-C208 VanDerWaalsContact C-N 3.33Å; L206-C208 PolarHBondContact O-N 2.76Å; L206-S209 WeakPolarHBondContact O-CB 3.5Å; L206-S209 PolarHBondContact O-N 2.81Å; L206-I210 HydrophobicContact CD1-CD1 4.01Å; L206-I210 HydrophobicContact CD1-CG1 4.21Å; L206-I210 HydrophobicContact CG-CD1 4.02Å; L206-I210 WeakPolarHBondContact O-CG1 3.32Å; L206-I210 PolarHBondContact O-N 3.16Å; L206-V230 HydrophobicContact CD2-CG1 4.36Å; L206-V230 HydrophobicContact CG-CG1 4.42Å; L206-V230 HydrophobicContact CG-CG2 4.43Å
207	L	97.9	Very high	96.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.5	-44.3	174.9	-175	55.2	0	0	0	111.6	F134 E203 I204 N205 I210 I211 V226 Y227 V230	F134-L207 HydrophobicContact CD1-CD2 3.87Å; F134-L207 HydrophobicContact CD2-CD2 4.22Å; F134-L207 HydrophobicContact CE1-CD2 3.28Å; F134-L207 HydrophobicContact CE1-CG 4.27Å; F134-L207 HydrophobicContact CE2-CD2 3.69Å; F134-L207 HydrophobicContact CE2-CG 4.15Å; F134-L207 HydrophobicContact CG-CD2 4.3Å; F134-L207 HydrophobicContact CZ-CD1 4.38Å; F134-L207 HydrophobicContact CZ-CD2 3.18Å; F134-L207 HydrophobicContact CZ-CG 3.73Å; E203-L207 WeakPolarHBondContact O-CB 3.42Å; E203-L207 PolarHBondContact O-N 3.02Å; I204-L207 HydrophobicContact CD1-CD2 4.11Å; I204-L207 PolarHBondContact O-N 3.16Å; N205-L207 VanDerWaalsContact C-N 3.35Å; N205-L207 PolarHBondContact O-N 3.33Å; L207-I210 PolarHBondContact O-N 2.82Å; L207-I211 HydrophobicContact CD1-CD1 3.98Å; L207-I211 HydrophobicContact CD1-CG1 4.43Å; L207-I211 HydrophobicContact CG-CD1 4.02Å; L207-I211 WeakPolarHBondContact O-CB 3.43Å; L207-I211 VanDerWaalsContact O-CG1 3.25Å; L207-I211 WeakPolarHBondContact O-CG1 3.4Å; L207-I211 PolarHBondContact O-N 3.04Å; L207-V226 HydrophobicContact CD1-CB 4.16Å; L207-V226 HydrophobicContact CD1-CG1 3.6Å; L207-Y227 HydrophobicContact CD2-CD2 3.93Å; L207-V230 HydrophobicContact CB-CG1 4.33Å; L207-V230 HydrophobicContact CD1-CG2 4.37Å
208	C	98.2	Very high	96.8	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	13%	0.129	C	C	.	.	H	α-helix	trans	-64.2	-41.4	175.2	-73.3	0	0	0	0	112.1	F127 G158 F159 I204 N205 L206 I211 D212	F127-C208 HydrophobicContact CE1-CB 4.48Å; G158-C208 VanDerWaalsContact CA-O 3.25Å; G158-C208 WeakPolarHBondContact CA-O 3.31Å; F159-C208 HydrophobicContact CD1-CB 4.13Å; F159-C208 HydrophobicContact CE1-CB 3.63Å; F159-C208 HydrophobicContact CZ-CB 3.87Å; I204-C208 WeakPolarHBondContact O-CB 3.5Å; I204-C208 PolarHBondContact O-N 2.99Å; I204-C208 PolarHBondContact O-SG 3.37Å; N205-C208 WeakPolarHBondContact O-CB 3.27Å; N205-C208 PolarHBondContact O-N 3.3Å; N205-C208 VanDerWaalsContact O-N 3.16Å; L206-C208 VanDerWaalsContact C-N 3.33Å; L206-C208 PolarHBondContact O-N 2.76Å; C208-I211 PolarHBondContact O-N 3.4Å; C208-D212 WeakPolarHBondContact O-CB 3.13Å; C208-D212 PolarHBondContact O-N 2.91Å
209	S	98.5	Very high	97.1	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-44.9	176.8	-65.1	0	0	0	0	112.3	Y122 F159 N205 L206 D212 F213	Y122-S209 VanDerWaalsContact CD1-CB 3.48Å; Y122-S209 WeakPolarHBondContact CD1-OG 3.32Å; Y122-S209 VanDerWaalsContact CZ-O 3.31Å; Y122-S209 PolarHBondContact OH-O 3.25Å; F159-S209 WeakPolarHBondContact CZ-OG 3.49Å; N205-S209 PolarHBondContact O-N 3.45Å; N205-S209 PolarHBondContact O-OG 2.91Å; N205-S209 VanDerWaalsContact O-OG 3.1Å; L206-S209 WeakPolarHBondContact O-CB 3.5Å; L206-S209 PolarHBondContact O-N 2.81Å; S209-D212 PolarHBondContact O-N 3.37Å; S209-F213 WeakPolarHBondContact O-CB 3.37Å; S209-F213 PolarHBondContact O-N 3.11Å
210	I	98.6	Very high	97.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-71.2	-42.5	179.8	-61	164.2	0	0	0	111.6	L109 Y115 I119 L206 L207 D212 F213 F214 V226 V230	L109-I210 HydrophobicContact CD1-CD1 3.63Å; Y115-I210 HydrophobicContact CD1-CD1 4.35Å; Y115-I210 HydrophobicContact CD1-CG2 4.04Å; Y115-I210 HydrophobicContact CE1-CD1 4.15Å; Y115-I210 HydrophobicContact CE1-CG2 3.7Å; I119-I210 HydrophobicContact CD1-CG1 4.31Å; I119-I210 HydrophobicContact CD1-CG2 4.33Å; I119-I210 HydrophobicContact CG2-CG1 4.25Å; L206-I210 HydrophobicContact CD1-CD1 4.01Å; L206-I210 HydrophobicContact CD1-CG1 4.21Å; L206-I210 HydrophobicContact CG-CD1 4.02Å; L206-I210 WeakPolarHBondContact O-CG1 3.32Å; L206-I210 PolarHBondContact O-N 3.16Å; L207-I210 PolarHBondContact O-N 2.82Å; I210-D212 VanDerWaalsContact C-N 3.31Å; I210-D212 PolarHBondContact O-N 3.24Å; I210-F213 WeakPolarHBondContact O-CB 3.16Å; I210-F213 PolarHBondContact O-N 3.11Å; I210-F214 HydrophobicContact CG2-CD2 3.92Å; I210-F214 HydrophobicContact CG2-CE1 4.19Å; I210-F214 HydrophobicContact CG2-CE2 3.57Å; I210-F214 HydrophobicContact CG2-CG 4.41Å; I210-F214 HydrophobicContact CG2-CZ 3.71Å; I210-F214 WeakPolarHBondContact O-CG 3.32Å; I210-F214 PolarHBondContact O-N 3.21Å; I210-V226 HydrophobicContact CB-CG1 4.12Å; I210-V226 HydrophobicContact CD1-CG1 4.49Å; I210-V226 HydrophobicContact CG2-CG1 3.77Å; I210-V230 HydrophobicContact CD1-CG2 3.45Å; I210-V230 VanDerWaalsContact CD1-CG2 3.45Å
211	I	98.4	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60	-44.6	175.7	-74.2	172.5	0	0	0	110.6	F134 R157 G158 L207 C208 F213 F214 D215 Y221	F134-I211 HydrophobicContact CE2-CD1 4.4Å; F134-I211 HydrophobicContact CZ-CD1 4.03Å; R157-I211 HydrophobicContact CG-CG2 3.58Å; G158-I211 VanDerWaalsContact N-CG2 3.27Å; L207-I211 HydrophobicContact CD1-CD1 3.98Å; L207-I211 HydrophobicContact CD1-CG1 4.43Å; L207-I211 HydrophobicContact CG-CD1 4.02Å; L207-I211 WeakPolarHBondContact O-CB 3.43Å; L207-I211 VanDerWaalsContact O-CG1 3.25Å; L207-I211 WeakPolarHBondContact O-CG1 3.4Å; L207-I211 PolarHBondContact O-N 3.04Å; C208-I211 PolarHBondContact O-N 3.4Å; I211-F213 VanDerWaalsContact C-N 3.35Å; I211-F214 PolarHBondContact O-N 3.3Å; I211-D215 WeakPolarHBondContact O-CB 3.36Å; I211-D215 PolarHBondContact O-N 3.22Å; I211-Y221 HydrophobicContact CG1-CE2 4.07Å; I211-Y221 WeakPolarHBondContact CG2-OH 3.31Å
212	D	98.2	Very high	97.8	Very high	25 Å²	25	39.6 Å²	39.6	13%	0.134	20%	0.202	C	C	.	.	H	α-helix	trans	-61	-43.7	176	-178.2	79.5	0	0	0	111.5	Y122 F159 C208 S209 I210 D215 R216	Y122-D212 PolarHBondContact OH-OD2 2.86Å; F159-D212 HydrophobicContact CD2-CB 3.8Å; F159-D212 HydrophobicContact CE2-CB 4.35Å; C208-D212 WeakPolarHBondContact O-CB 3.13Å; C208-D212 PolarHBondContact O-N 2.91Å; S209-D212 PolarHBondContact O-N 3.37Å; I210-D212 VanDerWaalsContact C-N 3.31Å; I210-D212 PolarHBondContact O-N 3.24Å; D212-D215 PolarHBondContact O-N 3.36Å; D212-R216 WeakPolarHBondContact O-CB 3.49Å; D212-R216 VanDerWaalsContact O-CG 3.27Å; D212-R216 WeakPolarHBondContact O-CG 3.32Å; D212-R216 PolarHBondContact O-N 3.32Å; D212-R216 IonicContact OD2-CZ 3.71Å; D212-R216 IonicContact OD2-NE 3.66Å; D212-R216 PolarHBondContact OD2-NE 3.08Å; D212-R216 IonicContact OD2-NH2 3.78Å
213	F	98.5	Very high	97.8	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.026	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-52.1	176.5	179.7	-99.4	0	0	0	111.4	P116 E118 I119 Y122 S209 I210 I211 D215 R216 H217 I219	P116-F213 HydrophobicContact CB-CE1 3.65Å; P116-F213 HydrophobicContact CB-CZ 3.9Å; P116-F213 HydrophobicContact CG-CE1 3.82Å; E118-F213 HydrophobicContact CB-CE2 3.53Å; E118-F213 HydrophobicContact CB-CZ 3.81Å; E118-F213 HydrophobicContact CG-CE2 4.45Å; E118-F213 HydrophobicContact CG-CZ 4.5Å; I119-F213 HydrophobicContact CD1-CD1 4.03Å; I119-F213 HydrophobicContact CD1-CE1 4.44Å; I119-F213 HydrophobicContact CG1-CB 4.34Å; I119-F213 HydrophobicContact CG1-CD1 3.79Å; I119-F213 HydrophobicContact CG1-CD2 4.4Å; I119-F213 HydrophobicContact CG1-CE1 4.22Å; I119-F213 HydrophobicContact CG1-CG 3.91Å; Y122-F213 HydrophobicContact CE2-CB 3.83Å; Y122-F213 HydrophobicContact CE2-CD2 4.06Å; Y122-F213 HydrophobicContact CE2-CG 4.35Å; Y122-F213 WeakPolarHBondContact OH-CA 3.45Å; Y122-F213 PolarHBondContact OH-N 2.95Å; S209-F213 WeakPolarHBondContact O-CB 3.37Å; S209-F213 PolarHBondContact O-N 3.11Å; I210-F213 WeakPolarHBondContact O-CB 3.16Å; I210-F213 PolarHBondContact O-N 3.11Å; I211-F213 VanDerWaalsContact C-N 3.35Å; F213-D215 VanDerWaalsContact C-N 3.34Å; F213-D215 PolarHBondContact O-N 2.7Å; F213-R216 PolarHBondContact O-N 3.12Å; F213-H217 AromaticContact CD2-CD2 3.46Å; F213-H217 VanDerWaalsContact CD2-CD2 3.46Å; F213-H217 WeakPolarHBondContact CD2-CD2 3.48Å; F213-H217 AromaticContact CD2-NE2 3.68Å; F213-H217 AromaticContact CE2-CD2 3.34Å; F213-H217 WeakPolarHBondContact CE2-CD2 3.34Å; F213-H217 AromaticContact CE2-CE1 3.92Å; F213-H217 AromaticContact CE2-CG 3.97Å; F213-H217 AromaticContact CE2-NE2 3.35Å; F213-H217 WeakPolarHBondContact CE2-NE2 3.43Å; F213-H217 AromaticContact CZ-CD2 3.86Å; F213-H217 WeakPolarHBondContact O-CB 3.38Å; F213-H217 PolarHBondContact O-CD2 3.27Å; F213-H217 PolarHBondContact O-N 3.05Å; F213-I219 HydrophobicContact CD1-CD1 4.29Å; F213-I219 HydrophobicContact CE1-CD1 3.67Å; F213-I219 HydrophobicContact CZ-CD1 4.48Å
214	F	98.6	Very high	97.7	Very high	16 Å²	16	42.8 Å²	42.8	7%	0.07	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-43	-179.7	-69.5	-17.3	0	0	0	112.4	Y115 P116 I119 I210 I211 R216 H217 G218 I219 Y221 V226	Y115-F214 AromaticContact CD1-CZ 3.95Å; Y115-F214 HydrophobicContact CD1-CZ 3.95Å; Y115-F214 HydrophobicContact CE1-CE2 4.18Å; Y115-F214 AromaticContact CE1-CZ 3.75Å; Y115-F214 HydrophobicContact CE1-CZ 3.75Å; P116-F214 HydrophobicContact CG-CE1 4.35Å; I119-F214 HydrophobicContact CD1-CE1 4.48Å; I210-F214 HydrophobicContact CG2-CD2 3.92Å; I210-F214 HydrophobicContact CG2-CE1 4.19Å; I210-F214 HydrophobicContact CG2-CE2 3.57Å; I210-F214 HydrophobicContact CG2-CG 4.41Å; I210-F214 HydrophobicContact CG2-CZ 3.71Å; I210-F214 WeakPolarHBondContact O-CG 3.32Å; I210-F214 PolarHBondContact O-N 3.21Å; I211-F214 PolarHBondContact O-N 3.3Å; F214-R216 PolarHBondContact O-N 2.87Å; F214-H217 PolarHBondContact O-N 3.39Å; F214-G218 PolarHBondContact O-N 3.07Å; F214-I219 HydrophobicContact CB-CB 4.08Å; F214-I219 HydrophobicContact CB-CG2 4.48Å; F214-I219 HydrophobicContact CD1-CB 3.88Å; F214-I219 HydrophobicContact CD1-CD1 3.76Å; F214-I219 HydrophobicContact CD1-CG1 4.41Å; F214-I219 HydrophobicContact CD1-CG2 3.78Å; F214-I219 HydrophobicContact CE1-CD1 4.2Å; F214-I219 HydrophobicContact CE1-CG2 4.14Å; F214-I219 HydrophobicContact CG-CB 4.16Å; F214-I219 HydrophobicContact CG-CG2 4.1Å; F214-I219 PolarHBondContact O-N 2.82Å; F214-Y221 HydrophobicContact CB-CD1 3.44Å; F214-Y221 VanDerWaalsContact CB-CD1 3.44Å; F214-Y221 HydrophobicContact CB-CE1 3.52Å; F214-Y221 HydrophobicContact CB-CG 4.26Å; F214-Y221 AromaticContact CD2-CD1 3.6Å; F214-Y221 HydrophobicContact CD2-CD1 3.6Å; F214-Y221 HydrophobicContact CD2-CD2 4.11Å; F214-Y221 HydrophobicContact CD2-CE1 4.27Å; F214-Y221 AromaticContact CD2-CG 3.53Å; F214-Y221 HydrophobicContact CD2-CG 3.53Å; F214-Y221 HydrophobicContact CE2-CG 4.31Å; F214-Y221 AromaticContact CG-CD1 3.94Å; F214-Y221 HydrophobicContact CG-CD1 3.94Å; F214-Y221 HydrophobicContact CG-CE1 4.41Å; F214-Y221 HydrophobicContact CG-CG 4.33Å; F214-V226 HydrophobicContact CD2-CG2 4.22Å; F214-V226 HydrophobicContact CE2-CG2 3.85Å
215	D	97.6	Very high	97.7	Very high	60 Å²	60	49.8 Å²	49.8	32%	0.321	25%	0.249	S	C	.	.	H	α-helix	trans	-62.9	-42.8	177.3	-83.9	11.3	0	0	0	112.1	R157 I211 D212 F213 H217 G218 Y221	R157-D215 WeakPolarHBondContact CD-OD2 3.45Å; I211-D215 WeakPolarHBondContact O-CB 3.36Å; I211-D215 PolarHBondContact O-N 3.22Å; D212-D215 PolarHBondContact O-N 3.36Å; F213-D215 VanDerWaalsContact C-N 3.34Å; F213-D215 PolarHBondContact O-N 2.7Å; D215-H217 VanDerWaalsContact C-N 3.33Å; D215-H217 PolarHBondContact O-N 3Å; D215-G218 PolarHBondContact O-N 3.2Å; D215-Y221 VanDerWaalsContact OD1-CE1 3.27Å; D215-Y221 WeakPolarHBondContact OD1-CE1 3.31Å; D215-Y221 PolarHBondContact OD1-OH 2.91Å
216	R	97.5	Very high	97.7	Very high	138 Å²	138	50 Å²	50	52%	0.521	25%	0.25	S	S	.	.	H	α-helix	trans	-69.4	-30	-179.8	-72.8	-171.9	-61.6	97.2	-15.4	113.2	Y122 D212 F213 F214	Y122-R216 PolarHBondContact OH-NE 3.46Å; Y122-R216 PolarHBondContact OH-NH2 2.98Å; D212-R216 WeakPolarHBondContact O-CB 3.49Å; D212-R216 VanDerWaalsContact O-CG 3.27Å; D212-R216 WeakPolarHBondContact O-CG 3.32Å; D212-R216 PolarHBondContact O-N 3.32Å; D212-R216 IonicContact OD2-CZ 3.71Å; D212-R216 IonicContact OD2-NE 3.66Å; D212-R216 PolarHBondContact OD2-NE 3.08Å; D212-R216 IonicContact OD2-NH2 3.78Å; F213-R216 PolarHBondContact O-N 3.12Å; F214-R216 PolarHBondContact O-N 2.87Å
217	H	97.9	Very high	97.6	Very high	103 Å²	103	51.8 Å²	51.8	48%	0.477	26%	0.257	S	S	.	.	H	α-helix	trans	-98.1	1.6	-178.6	-70.5	-92.8	0	0	0	113.3	F213 F214 D215 I219	F213-H217 AromaticContact CD2-CD2 3.46Å; F213-H217 VanDerWaalsContact CD2-CD2 3.46Å; F213-H217 WeakPolarHBondContact CD2-CD2 3.48Å; F213-H217 AromaticContact CD2-NE2 3.68Å; F213-H217 AromaticContact CE2-CD2 3.34Å; F213-H217 WeakPolarHBondContact CE2-CD2 3.34Å; F213-H217 AromaticContact CE2-CE1 3.92Å; F213-H217 AromaticContact CE2-CG 3.97Å; F213-H217 AromaticContact CE2-NE2 3.35Å; F213-H217 WeakPolarHBondContact CE2-NE2 3.43Å; F213-H217 AromaticContact CZ-CD2 3.86Å; F213-H217 WeakPolarHBondContact O-CB 3.38Å; F213-H217 PolarHBondContact O-CD2 3.27Å; F213-H217 PolarHBondContact O-N 3.05Å; F214-H217 PolarHBondContact O-N 3.39Å; D215-H217 VanDerWaalsContact C-N 3.33Å; D215-H217 PolarHBondContact O-N 3Å; H217-I219 VanDerWaalsContact C-N 3.25Å; H217-I219 HydrophobicContact CB-CD1 3.99Å; H217-I219 HydrophobicContact CB-CG1 4.12Å; H217-I219 PolarHBondContact O-N 2.97Å
218	G	97.3	Very high	97.5	Very high	65 Å²	65	56.3 Å²	56.3	67%	0.67	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	30.1	179.6	0	0	0	0	0	113.3	F214 D215	F214-G218 PolarHBondContact O-N 3.07Å; D215-G218 PolarHBondContact O-N 3.2Å
219	I	97.9	Very high	97.5	Very high	61 Å²	61	58.3 Å²	58.3	31%	0.313	29%	0.289	S	S	.	.			trans	-83.1	126.8	177.2	-64.4	168.4	0	0	0	107.7	P116 F213 F214 H217 Y221	P116-I219 HydrophobicContact CG-CD1 4.5Å; F213-I219 HydrophobicContact CD1-CD1 4.29Å; F213-I219 HydrophobicContact CE1-CD1 3.67Å; F213-I219 HydrophobicContact CZ-CD1 4.48Å; F214-I219 HydrophobicContact CB-CB 4.08Å; F214-I219 HydrophobicContact CB-CG2 4.48Å; F214-I219 HydrophobicContact CD1-CB 3.88Å; F214-I219 HydrophobicContact CD1-CD1 3.76Å; F214-I219 HydrophobicContact CD1-CG1 4.41Å; F214-I219 HydrophobicContact CD1-CG2 3.78Å; F214-I219 HydrophobicContact CE1-CD1 4.2Å; F214-I219 HydrophobicContact CE1-CG2 4.14Å; F214-I219 HydrophobicContact CG-CB 4.16Å; F214-I219 HydrophobicContact CG-CG2 4.1Å; F214-I219 PolarHBondContact O-N 2.82Å; H217-I219 VanDerWaalsContact C-N 3.25Å; H217-I219 HydrophobicContact CB-CD1 3.99Å; H217-I219 HydrophobicContact CB-CG1 4.12Å; H217-I219 PolarHBondContact O-N 2.97Å; I219-Y221 VanDerWaalsContact O-CD1 3.29Å; I219-Y221 WeakPolarHBondContact O-CD1 3.49Å
220	D	97.4	Very high	97.5	Very high	164 Å²	164	58.2 Å²	58.2	88%	0.877	29%	0.288	S	S	*	.			trans	-75.8	132.8	175.3	-78.7	-33	0	0	0	111.2
221	Y	97.6	Very high	97.4	Very high	53 Å²	53	59.1 Å²	59.1	21%	0.208	30%	0.295	C	S	.	.			trans	-147.7	166.7	178.5	64.4	-78.5	0	0	0	111.9	I211 F214 D215 I219 P223 V226	I211-Y221 HydrophobicContact CG1-CE2 4.07Å; I211-Y221 WeakPolarHBondContact CG2-OH 3.31Å; F214-Y221 HydrophobicContact CB-CD1 3.44Å; F214-Y221 VanDerWaalsContact CB-CD1 3.44Å; F214-Y221 HydrophobicContact CB-CE1 3.52Å; F214-Y221 HydrophobicContact CB-CG 4.26Å; F214-Y221 AromaticContact CD2-CD1 3.6Å; F214-Y221 HydrophobicContact CD2-CD1 3.6Å; F214-Y221 HydrophobicContact CD2-CD2 4.11Å; F214-Y221 HydrophobicContact CD2-CE1 4.27Å; F214-Y221 AromaticContact CD2-CG 3.53Å; F214-Y221 HydrophobicContact CD2-CG 3.53Å; F214-Y221 HydrophobicContact CE2-CG 4.31Å; F214-Y221 AromaticContact CG-CD1 3.94Å; F214-Y221 HydrophobicContact CG-CD1 3.94Å; F214-Y221 HydrophobicContact CG-CE1 4.41Å; F214-Y221 HydrophobicContact CG-CG 4.33Å; D215-Y221 VanDerWaalsContact OD1-CE1 3.27Å; D215-Y221 WeakPolarHBondContact OD1-CE1 3.31Å; D215-Y221 PolarHBondContact OD1-OH 2.91Å; I219-Y221 VanDerWaalsContact O-CD1 3.29Å; I219-Y221 WeakPolarHBondContact O-CD1 3.49Å; Y221-P223 HydrophobicContact CD2-CG 4.36Å; Y221-P223 HydrophobicContact CE2-CG 3.99Å; Y221-V226 HydrophobicContact CD2-CG2 3.7Å; Y221-V226 HydrophobicContact CG-CG2 4.26Å
222	K	96.9	Very high	97.3	Very high	138 Å²	138	62.8 Å²	62.8	60%	0.6	32%	0.317	S	S	*	.			trans	-109.6	122.7	165.4	-61.2	-60.4	-178.1	-169.4	0	108.5	V224 Y225 V226	K222-V224 PolarHBondContact O-N 2.97Å; K222-V224 VanDerWaalsContact O-N 3.08Å; K222-Y225 HydrophobicContact CB-CD2 3.61Å; K222-Y225 HydrophobicContact CB-CE2 4Å; K222-Y225 HydrophobicContact CB-CG 4.21Å; K222-Y225 HydrophobicContact CG-CD2 3.96Å; K222-Y225 HydrophobicContact CG-CE2 3.92Å; K222-Y225 PolarHBondContact O-N 2.83Å; K222-V226 PolarHBondContact O-N 3.39Å
223	P	96.6	Very high	97.3	Very high	20 Å²	20	61.7 Å²	61.7	13%	0.13	31%	0.311	C	S	.	.	H	α-helix	trans	-53.7	-32.8	-179.3	-30.2	35.8	0	0	0	114.3	V136 Y221 Y225 V226 Y227	V136-P223 CarbonylContact O-C 3.54Å; V136-P223 WeakPolarHBondContact O-CB 3.41Å; Y221-P223 HydrophobicContact CD2-CG 4.36Å; Y221-P223 HydrophobicContact CE2-CG 3.99Å; P223-Y225 PolarHBondContact O-N 3.17Å; P223-V226 PolarHBondContact O-N 3.27Å; P223-Y227 WeakPolarHBondContact O-CB 3.37Å; P223-Y227 PolarHBondContact O-N 3.37Å
224	V	95.6	Very high	97.2	Very high	47 Å²	47	61.6 Å²	61.6	29%	0.285	31%	0.311	S	S	.	.	H	α-helix	trans	-60.2	-43.6	176.3	179.8	0	0	0	0	112.1	V136 K222 Y227 Q228	V136-V224 HydrophobicContact CG1-CB 4.4Å; V136-V224 HydrophobicContact CG1-CG1 4.47Å; V136-V224 HydrophobicContact CG1-CG2 4.2Å; V136-V224 PolarHBondContact O-N 3.18Å; K222-V224 PolarHBondContact O-N 2.97Å; K222-V224 VanDerWaalsContact O-N 3.08Å; V224-Y227 PolarHBondContact O-N 3.38Å; V224-Q228 VanDerWaalsContact O-CG 3.27Å; V224-Q228 WeakPolarHBondContact O-CG 3.29Å; V224-Q228 PolarHBondContact O-N 3.16Å
225	Y	96.4	Very high	96.9	Very high	147 Å²	147	62.4 Å²	62.4	58%	0.576	32%	0.321	S	S	*	.	H	α-helix	trans	-70.3	-43.1	-179.7	-61.4	-35	0	0	0	111	K222 P223 Y227 Q228 D229	K222-Y225 HydrophobicContact CB-CD2 3.61Å; K222-Y225 HydrophobicContact CB-CE2 4Å; K222-Y225 HydrophobicContact CB-CG 4.21Å; K222-Y225 HydrophobicContact CG-CD2 3.96Å; K222-Y225 HydrophobicContact CG-CE2 3.92Å; K222-Y225 PolarHBondContact O-N 2.83Å; P223-Y225 PolarHBondContact O-N 3.17Å; Y225-Y227 VanDerWaalsContact C-N 3.3Å; Y225-Y227 PolarHBondContact O-N 3.17Å; Y225-Q228 PolarHBondContact O-N 3.47Å; Y225-Q228 VanDerWaalsContact O-N 3.1Å; Y225-D229 PolarHBondContact O-N 2.96Å
226	V	97.8	Very high	96.8	Very high	4 Å²	4	65 Å²	65	2%	0.024	33%	0.326	C	S	.	.	H	α-helix	trans	-58.3	-45	174.5	-172.8	0	0	0	0	111	L207 I210 F214 Y221 K222 P223 Q228 D229 V230	L207-V226 HydrophobicContact CD1-CB 4.16Å; L207-V226 HydrophobicContact CD1-CG1 3.6Å; I210-V226 HydrophobicContact CB-CG1 4.12Å; I210-V226 HydrophobicContact CD1-CG1 4.49Å; I210-V226 HydrophobicContact CG2-CG1 3.77Å; F214-V226 HydrophobicContact CD2-CG2 4.22Å; F214-V226 HydrophobicContact CE2-CG2 3.85Å; Y221-V226 HydrophobicContact CD2-CG2 3.7Å; Y221-V226 HydrophobicContact CG-CG2 4.26Å; K222-V226 PolarHBondContact O-N 3.39Å; P223-V226 PolarHBondContact O-N 3.27Å; V226-Q228 PolarHBondContact O-N 2.86Å; V226-D229 PolarHBondContact O-N 2.89Å; V226-V230 HydrophobicContact CG1-CG2 4.28Å; V226-V230 VanDerWaalsContact O-CB 3.29Å; V226-V230 WeakPolarHBondContact O-CB 3.29Å; V226-V230 WeakPolarHBondContact O-CG2 3.06Å; V226-V230 PolarHBondContact O-N 3.47Å
227	Y	96.7	Very high	96.7	Very high	39 Å²	39	58.4 Å²	58.4	15%	0.153	30%	0.301	C	S	.	.	H	α-helix	trans	-59.9	-44.5	175.4	170.2	-96.1	0	0	0	112.6	F134 V136 I193 R200 L207 P223 V224 Y225 S231	F134-Y227 HydrophobicContact CD1-CD2 4.48Å; F134-Y227 HydrophobicContact CE1-CD2 4.37Å; V136-Y227 HydrophobicContact CB-CG 4.44Å; V136-Y227 HydrophobicContact CG1-CD1 3.56Å; V136-Y227 HydrophobicContact CG1-CE1 4.38Å; V136-Y227 HydrophobicContact CG1-CG 3.66Å; V136-Y227 HydrophobicContact CG2-CD1 4.05Å; V136-Y227 HydrophobicContact CG2-CD2 4.03Å; V136-Y227 HydrophobicContact CG2-CE1 4.27Å; V136-Y227 HydrophobicContact CG2-CE2 4.25Å; V136-Y227 HydrophobicContact CG2-CG 3.95Å; I193-Y227 HydrophobicContact CD1-CD2 4.08Å; I193-Y227 HydrophobicContact CD1-CE1 3.96Å; I193-Y227 HydrophobicContact CD1-CE2 3.16Å; I193-Y227 WeakPolarHBondContact CD1-OH 3.46Å; R200-Y227 PolarHBondContact NH2-OH 3.3Å; L207-Y227 HydrophobicContact CD2-CD2 3.93Å; P223-Y227 WeakPolarHBondContact O-CB 3.37Å; P223-Y227 PolarHBondContact O-N 3.37Å; V224-Y227 PolarHBondContact O-N 3.38Å; Y225-Y227 VanDerWaalsContact C-N 3.3Å; Y225-Y227 PolarHBondContact O-N 3.17Å; Y227-S231 WeakPolarHBondContact CE1-OG 3.24Å; Y227-S231 VanDerWaalsContact CE2-OG 3.24Å; Y227-S231 WeakPolarHBondContact CE2-OG 3.41Å; Y227-S231 WeakPolarHBondContact O-CB 3.14Å; Y227-S231 PolarHBondContact O-N 3.19Å; Y227-S231 PolarHBondContact O-OG 2.91Å; Y227-S231 PolarHBondContact OH-OG 3.28Å
228	Q	96.3	Very high	96.3	Very high	95 Å²	95	56.6 Å²	56.6	44%	0.444	29%	0.293	S	S	.	.	H	α-helix	trans	-63.8	-44.2	179.9	-76.6	171.1	-15	0	0	112.1	V224 Y225 V226 S231 T232	V224-Q228 VanDerWaalsContact O-CG 3.27Å; V224-Q228 WeakPolarHBondContact O-CG 3.29Å; V224-Q228 PolarHBondContact O-N 3.16Å; Y225-Q228 PolarHBondContact O-N 3.47Å; Y225-Q228 VanDerWaalsContact O-N 3.1Å; V226-Q228 PolarHBondContact O-N 2.86Å; Q228-S231 PolarHBondContact O-N 3.44Å; Q228-T232 WeakPolarHBondContact O-CB 3.36Å; Q228-T232 PolarHBondContact O-N 3.43Å; Q228-T232 PolarHBondContact O-OG1 2.94Å
229	D	98.2	Very high	95.9	Very high	42 Å²	42	62 Å²	62	23%	0.225	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-46.6	-180	-66.9	-22.7	0	0	0	110.8	L109 M113 Y115 Y225 V226 T232 A233	L109-D229 HydrophobicContact CD2-CB 4.04Å; M113-D229 HydrophobicContact CE-CB 4.35Å; M113-D229 WeakPolarHBondContact CE-OD1 3.32Å; Y115-D229 HydrophobicContact CE2-CB 4.19Å; Y115-D229 WeakPolarHBondContact OH-CB 3.47Å; Y115-D229 PolarHBondContact OH-OD2 3.2Å; Y225-D229 PolarHBondContact O-N 2.96Å; V226-D229 PolarHBondContact O-N 2.89Å; D229-T232 WeakPolarHBondContact O-CB 3.26Å; D229-T232 PolarHBondContact O-N 2.83Å; D229-A233 PolarHBondContact O-N 2.84Å
230	V	98.1	Very high	95.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-45.8	175.7	167.5	0	0	0	0	111.6	L109 E203 L206 L207 I210 V226 T232 A233 V234	L109-V230 HydrophobicContact CD1-CG2 3.87Å; E203-V230 HydrophobicContact CG-CG1 3.6Å; L206-V230 HydrophobicContact CD2-CG1 4.36Å; L206-V230 HydrophobicContact CG-CG1 4.42Å; L206-V230 HydrophobicContact CG-CG2 4.43Å; L207-V230 HydrophobicContact CB-CG1 4.33Å; L207-V230 HydrophobicContact CD1-CG2 4.37Å; I210-V230 HydrophobicContact CD1-CG2 3.45Å; I210-V230 VanDerWaalsContact CD1-CG2 3.45Å; V226-V230 HydrophobicContact CG1-CG2 4.28Å; V226-V230 VanDerWaalsContact O-CB 3.29Å; V226-V230 WeakPolarHBondContact O-CB 3.29Å; V226-V230 WeakPolarHBondContact O-CG2 3.06Å; V226-V230 PolarHBondContact O-N 3.47Å; V230-T232 PolarHBondContact O-N 2.57Å; V230-A233 WeakPolarHBondContact O-CB 3.25Å; V230-A233 PolarHBondContact O-N 2.81Å; V230-V234 WeakPolarHBondContact O-CG2 3.33Å; V230-V234 PolarHBondContact O-N 3.21Å
231	S	95.8	Very high	95	Very high	19 Å²	19	55.9 Å²	55.9	13%	0.133	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-38.2	175.9	-67.7	0	0	0	0	111.7	E203 Y227 Q228 A235	E203-S231 PolarHBondContact OE1-OG 2.99Å; Y227-S231 WeakPolarHBondContact CE1-OG 3.24Å; Y227-S231 VanDerWaalsContact CE2-OG 3.24Å; Y227-S231 WeakPolarHBondContact CE2-OG 3.41Å; Y227-S231 WeakPolarHBondContact O-CB 3.14Å; Y227-S231 PolarHBondContact O-N 3.19Å; Y227-S231 PolarHBondContact O-OG 2.91Å; Y227-S231 PolarHBondContact OH-OG 3.28Å; Q228-S231 PolarHBondContact O-N 3.44Å; S231-A235 WeakPolarHBondContact O-CB 3.47Å; S231-A235 PolarHBondContact O-N 3.42Å
232	T	96.3	Very high	94.8	Very high	77 Å²	77	55.6 Å²	55.6	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-67.9	-43.8	178.2	-61	0	0	0	0	111	W108 Q228 D229 V230 A235 R236	W108-T232 HydrophobicContact CH2-CG2 4.06Å; Q228-T232 WeakPolarHBondContact O-CB 3.36Å; Q228-T232 PolarHBondContact O-N 3.43Å; Q228-T232 PolarHBondContact O-OG1 2.94Å; D229-T232 WeakPolarHBondContact O-CB 3.26Å; D229-T232 PolarHBondContact O-N 2.83Å; V230-T232 PolarHBondContact O-N 2.57Å; T232-A235 PolarHBondContact O-N 3.29Å; T232-R236 PolarHBondContact O-N 3.45Å
233	A	97.5	Very high	94.6	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-58.7	-49.8	176.1	0	0	0	0	0	111.6	W108 L109 D229 V230 R236 V237	W108-A233 HydrophobicContact CD2-CB 4.38Å; W108-A233 HydrophobicContact CE3-CB 3.4Å; W108-A233 HydrophobicContact CZ3-CB 3.77Å; L109-A233 HydrophobicContact CD1-CB 4.39Å; L109-A233 HydrophobicContact CD2-CB 3.95Å; L109-A233 HydrophobicContact CG-CB 3.89Å; D229-A233 PolarHBondContact O-N 2.84Å; V230-A233 WeakPolarHBondContact O-CB 3.25Å; V230-A233 PolarHBondContact O-N 2.81Å; A233-R236 WeakPolarHBondContact O-CB 3.42Å; A233-R236 PolarHBondContact O-N 2.83Å; A233-V237 PolarHBondContact O-N 2.8Å
234	V	96.2	Very high	94.4	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.03	26%	0.255	C	S	.	.	H	α-helix	trans	-67	-42.2	179.8	173.3	0	0	0	0	111.3	I101 S105 E203 V230 R236 V237 H238	I101-V234 HydrophobicContact CG2-CG1 4.24Å; S105-V234 WeakPolarHBondContact OG-CG2 3.44Å; E203-V234 HydrophobicContact CB-CB 4.43Å; E203-V234 HydrophobicContact CB-CG1 4.27Å; E203-V234 HydrophobicContact CB-CG2 3.81Å; E203-V234 HydrophobicContact CG-CB 4.36Å; E203-V234 HydrophobicContact CG-CG2 3.84Å; E203-V234 WeakPolarHBondContact OE2-CG1 3.34Å; V230-V234 WeakPolarHBondContact O-CG2 3.33Å; V230-V234 PolarHBondContact O-N 3.21Å; V234-R236 PolarHBondContact O-N 3.24Å; V234-V237 PolarHBondContact O-N 3.38Å; V234-V237 VanDerWaalsContact O-N 3.14Å; V234-H238 PolarHBondContact O-N 2.73Å; V234-H238 PolarHBondContact O-ND1 2.93Å
235	A	94.3	Very high	94.4	Very high	33 Å²	33	53 Å²	53	27%	0.273	27%	0.269	S	S	.	.	H	α-helix	trans	-59.6	-33.2	176.1	0	0	0	0	0	112.2	S231 T232 H238 K239	S231-A235 WeakPolarHBondContact O-CB 3.47Å; S231-A235 PolarHBondContact O-N 3.42Å; T232-A235 PolarHBondContact O-N 3.29Å; A235-H238 PolarHBondContact O-N 3.15Å; A235-K239 HydrophobicContact CB-CD 4.49Å; A235-K239 VanDerWaalsContact O-CB 3.25Å; A235-K239 WeakPolarHBondContact O-CB 3.41Å; A235-K239 VanDerWaalsContact O-CG 3.26Å; A235-K239 WeakPolarHBondContact O-CG 3.16Å; A235-K239 PolarHBondContact O-N 3.47Å
236	R	95.2	Very high	94.3	Very high	113 Å²	113	46.9 Å²	46.9	43%	0.426	25%	0.247	S	C	.	.	H	α-helix	trans	-64.4	-44.6	174.8	177.8	-178.2	174.5	-104.3	0.3	111.8	T232 A233 V234 H238 K239 S240	T232-R236 PolarHBondContact O-N 3.45Å; A233-R236 WeakPolarHBondContact O-CB 3.42Å; A233-R236 PolarHBondContact O-N 2.83Å; V234-R236 PolarHBondContact O-N 3.24Å; R236-H238 PolarHBondContact O-N 2.78Å; R236-K239 PolarHBondContact O-N 2.9Å; R236-S240 WeakPolarHBondContact O-CB 3.28Å; R236-S240 PolarHBondContact O-N 2.83Å; R236-S240 PolarHBondContact O-OG 2.61Å
237	V	94.7	Very high	94.2	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-40.8	177.9	177.8	0	0	0	0	110.8	F100 I101 E104 A233 V234 L243	F100-V237 HydrophobicContact CE1-CG1 4.1Å; I101-V237 HydrophobicContact CG1-CG1 4.37Å; E104-V237 HydrophobicContact CB-CG2 3.78Å; A233-V237 PolarHBondContact O-N 2.8Å; V234-V237 PolarHBondContact O-N 3.38Å; V234-V237 VanDerWaalsContact O-N 3.14Å; V237-L243 HydrophobicContact CG1-CB 4.18Å; V237-L243 WeakPolarHBondContact O-CB 3.46Å; V237-L243 PolarHBondContact O-N 2.99Å
238	H	89.2	Confident	94.2	Very high	65 Å²	65	47.4 Å²	47.4	30%	0.301	25%	0.252	S	S	.	.	H	α-helix	trans	-76	-46.5	179.5	-67.7	80.3	0	0	0	113.2	F199 V234 A235 R236	F199-H238 WeakPolarHBondContact CB-NE2 3.49Å; F199-H238 AromaticContact CD1-NE2 3.64Å; F199-H238 AromaticContact CG-NE2 3.68Å; V234-H238 PolarHBondContact O-N 2.73Å; V234-H238 PolarHBondContact O-ND1 2.93Å; A235-H238 PolarHBondContact O-N 3.15Å; R236-H238 PolarHBondContact O-N 2.78Å
239	K	89.2	Confident	94.2	Very high	177 Å²	177	47.4 Å²	47.4	77%	0.77	26%	0.262	S	S	*	.	H	α-helix	trans	-82.7	-25	-171	-67.6	176.5	-178.9	178.6	0	114.1	A235 R236 G241	A235-K239 HydrophobicContact CB-CD 4.49Å; A235-K239 VanDerWaalsContact O-CB 3.25Å; A235-K239 WeakPolarHBondContact O-CB 3.41Å; A235-K239 VanDerWaalsContact O-CG 3.26Å; A235-K239 WeakPolarHBondContact O-CG 3.16Å; A235-K239 PolarHBondContact O-N 3.47Å; R236-K239 PolarHBondContact O-N 2.9Å; K239-G241 PolarHBondContact O-N 2.85Å
240	S	89.8	Confident	94.2	Very high	68 Å²	68	48.5 Å²	48.5	48%	0.476	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-11.9	178.4	60.8	0	0	0	0	113.4	R236 L242	R236-S240 WeakPolarHBondContact O-CB 3.28Å; R236-S240 PolarHBondContact O-N 2.83Å; R236-S240 PolarHBondContact O-OG 2.61Å; S240-L242 PolarHBondContact O-N 2.97Å; S240-L242 VanDerWaalsContact OG-CB 3.24Å; S240-L242 WeakPolarHBondContact OG-CB 3.19Å; S240-L242 PolarHBondContact OG-N 3.43Å
241	G	87.5	Confident	94.1	Very high	29 Å²	29	49.4 Å²	49.4	30%	0.299	27%	0.274	S	S	.	.	S	Bend	trans	81.1	-3.9	-170.4	0	0	0	0	0	113.6	K239 L243 G244 Q245	K239-G241 PolarHBondContact O-N 2.85Å; G241-L243 PolarHBondContact O-N 3.26Å; G241-G244 PolarHBondContact O-N 2.75Å; G241-Q245 WeakPolarHBondContact O-CG 3.45Å; G241-Q245 PolarHBondContact O-N 3.44Å
242	L	93.2	Very high	94.2	Very high	47 Å²	47	55 Å²	55	25%	0.246	30%	0.298	C	S	.	.	H	α-helix	trans	-56.7	-49.8	179.2	176.6	61.2	0	0	0	111.7	F100 E104 S240 G244 Q245 T246	F100-L242 HydrophobicContact CZ-CD1 4.39Å; F100-L242 HydrophobicContact CZ-CD2 4.26Å; F100-L242 HydrophobicContact CZ-CG 3.97Å; E104-L242 HydrophobicContact CG-CD2 4.36Å; S240-L242 PolarHBondContact O-N 2.97Å; S240-L242 VanDerWaalsContact OG-CB 3.24Å; S240-L242 WeakPolarHBondContact OG-CB 3.19Å; S240-L242 PolarHBondContact OG-N 3.43Å; L242-G244 VanDerWaalsContact C-N 3.31Å; L242-G244 PolarHBondContact O-N 2.85Å; L242-Q245 PolarHBondContact O-N 3.44Å; L242-T246 WeakPolarHBondContact O-CB 3.27Å; L242-T246 PolarHBondContact O-N 2.96Å; L242-T246 PolarHBondContact O-OG1 2.82Å; L242-T246 VanDerWaalsContact O-OG1 3.1Å
243	L	92.5	Very high	94.3	Very high	13 Å²	13	56.7 Å²	56.7	7%	0.068	30%	0.296	C	S	.	.	H	α-helix	trans	-54	-49.6	176.3	-176.1	154.6	0	0	0	111.6	L97 I101 F199 V237 G241 Q245 T246 V247 Y285	L97-L243 HydrophobicContact CD1-CG 4.28Å; I101-L243 HydrophobicContact CD1-CD1 3.75Å; I101-L243 HydrophobicContact CG1-CD1 3.9Å; F199-L243 HydrophobicContact CD1-CD1 4.35Å; F199-L243 HydrophobicContact CE1-CD1 4.29Å; V237-L243 HydrophobicContact CG1-CB 4.18Å; V237-L243 WeakPolarHBondContact O-CB 3.46Å; V237-L243 PolarHBondContact O-N 2.99Å; G241-L243 PolarHBondContact O-N 3.26Å; L243-Q245 PolarHBondContact O-N 3.23Å; L243-T246 PolarHBondContact O-N 3Å; L243-V247 HydrophobicContact CD2-CG2 4.27Å; L243-V247 WeakPolarHBondContact O-CG2 3.48Å; L243-V247 PolarHBondContact O-N 3.15Å; L243-Y285 HydrophobicContact CD2-CE2 4.43Å
244	G	91.9	Very high	94.3	Very high	14 Å²	14	57.4 Å²	57.4	14%	0.144	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-46.6	179.1	0	0	0	0	0	112.1	G241 L242 M248	G241-G244 PolarHBondContact O-N 2.75Å; L242-G244 VanDerWaalsContact C-N 3.31Å; L242-G244 PolarHBondContact O-N 2.85Å; G244-M248 VanDerWaalsContact O-CB 3.28Å; G244-M248 WeakPolarHBondContact O-CB 3.37Å; G244-M248 WeakPolarHBondContact O-CE 3.26Å; G244-M248 WeakPolarHBondContact O-CG 3.27Å; G244-M248 PolarHBondContact O-N 3.07Å
245	Q	94.7	Very high	94.4	Very high	123 Å²	123	57.3 Å²	57.3	58%	0.575	30%	0.297	S	S	*	.	H	α-helix	trans	-62.5	-45.2	178.5	-71.5	172.6	15.2	0	0	112.1	G241 L242 L243 M248 S249	G241-Q245 WeakPolarHBondContact O-CG 3.45Å; G241-Q245 PolarHBondContact O-N 3.44Å; L242-Q245 PolarHBondContact O-N 3.44Å; L243-Q245 PolarHBondContact O-N 3.23Å; Q245-M248 PolarHBondContact O-N 3.08Å; Q245-S249 WeakPolarHBondContact O-CB 3.41Å; Q245-S249 PolarHBondContact O-N 2.91Å; Q245-S249 PolarHBondContact O-OG 2.9Å
246	T	96.2	Very high	94.6	Very high	20 Å²	20	56.9 Å²	56.9	12%	0.123	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-52.3	178.5	-64.4	0	0	0	0	111.2	F100 L242 L243 M248 S249 D250 Y254	F100-T246 HydrophobicContact CD1-CG2 4.25Å; F100-T246 HydrophobicContact CD2-CG2 3.98Å; F100-T246 HydrophobicContact CE1-CG2 4.05Å; F100-T246 HydrophobicContact CE2-CG2 3.77Å; F100-T246 HydrophobicContact CG-CG2 4.21Å; F100-T246 HydrophobicContact CZ-CG2 3.81Å; F100-T246 WeakPolarHBondContact CZ-OG1 3.45Å; L242-T246 WeakPolarHBondContact O-CB 3.27Å; L242-T246 PolarHBondContact O-N 2.96Å; L242-T246 PolarHBondContact O-OG1 2.82Å; L242-T246 VanDerWaalsContact O-OG1 3.1Å; L243-T246 PolarHBondContact O-N 3Å; T246-M248 VanDerWaalsContact C-N 3.34Å; T246-M248 PolarHBondContact O-N 2.62Å; T246-S249 PolarHBondContact O-N 3.28Å; T246-S249 VanDerWaalsContact O-N 3.16Å; T246-S249 PolarHBondContact O-OG 3.41Å; T246-D250 PolarHBondContact O-N 2.88Å; T246-Y254 HydrophobicContact CG2-CD2 4.26Å; T246-Y254 HydrophobicContact CG2-CE1 4.44Å; T246-Y254 HydrophobicContact CG2-CE2 3.48Å; T246-Y254 VanDerWaalsContact CG2-CE2 3.48Å
247	V	95.2	Very high	94.7	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-61.9	-42.6	178.4	172.5	0	0	0	0	111.2	Y93 L97 L243 S249 D250 P251 Y254 I255 Y285	Y93-V247 HydrophobicContact CE1-CG1 4.33Å; L97-V247 HydrophobicContact CD1-CG2 3.58Å; L97-V247 HydrophobicContact CD2-CG2 4.23Å; L243-V247 HydrophobicContact CD2-CG2 4.27Å; L243-V247 WeakPolarHBondContact O-CG2 3.48Å; L243-V247 PolarHBondContact O-N 3.15Å; V247-S249 VanDerWaalsContact C-N 3.27Å; V247-S249 PolarHBondContact O-N 2.9Å; V247-D250 CarbonylContact O-C 3.58Å; V247-D250 VanDerWaalsContact O-C 3.28Å; V247-D250 PolarHBondContact O-N 3.46Å; V247-P251 WeakPolarHBondContact O-CA 3.42Å; V247-P251 WeakPolarHBondContact O-CD 3.32Å; V247-P251 WeakPolarHBondContact O-CG 3.4Å; V247-P251 VanDerWaalsContact O-N 3.09Å; V247-Y254 HydrophobicContact CG2-CG 4.29Å; V247-I255 HydrophobicContact CG1-CD1 3.93Å; V247-I255 HydrophobicContact CG1-CG1 3.85Å; V247-Y285 HydrophobicContact CB-CE2 3.81Å; V247-Y285 HydrophobicContact CG1-CE2 3.8Å; V247-Y285 HydrophobicContact CG2-CE2 4.34Å
248	M	95.1	Very high	94.7	Very high	51 Å²	51	59 Å²	59	25%	0.251	31%	0.309	S	S	.	.	H	α-helix	trans	-66.6	-28.8	178.1	-73.3	-170.6	-64.9	0	0	113.1	G244 Q245 T246 A284 Y285 K288	G244-M248 VanDerWaalsContact O-CB 3.28Å; G244-M248 WeakPolarHBondContact O-CB 3.37Å; G244-M248 WeakPolarHBondContact O-CE 3.26Å; G244-M248 WeakPolarHBondContact O-CG 3.27Å; G244-M248 PolarHBondContact O-N 3.07Å; Q245-M248 PolarHBondContact O-N 3.08Å; T246-M248 VanDerWaalsContact C-N 3.34Å; T246-M248 PolarHBondContact O-N 2.62Å; M248-A284 HydrophobicContact SD-CB 4.33Å; M248-Y285 HydrophobicContact CG-CD2 4.08Å; M248-K288 HydrophobicContact CB-CB 4.4Å; M248-K288 HydrophobicContact CB-CG 3.9Å; M248-K288 HydrophobicContact CG-CB 3.76Å; M248-K288 HydrophobicContact CG-CG 3.81Å; M248-K288 WeakPolarHBondContact O-CE 3.4Å; M248-K288 HydrophobicContact SD-CB 4.14Å
249	S	97.2	Very high	95.1	Very high	96 Å²	96	61 Å²	61	67%	0.671	33%	0.328	S	S	*	.	H	α-helix	trans	-73.6	-30.5	178.7	73.4	0	0	0	0	112.9	Q245 T246 V247	Q245-S249 WeakPolarHBondContact O-CB 3.41Å; Q245-S249 PolarHBondContact O-N 2.91Å; Q245-S249 PolarHBondContact O-OG 2.9Å; T246-S249 PolarHBondContact O-N 3.28Å; T246-S249 VanDerWaalsContact O-N 3.16Å; T246-S249 PolarHBondContact O-OG 3.41Å; V247-S249 VanDerWaalsContact C-N 3.27Å; V247-S249 PolarHBondContact O-N 2.9Å
250	D	97.6	Very high	95.5	Very high	65 Å²	65	57.4 Å²	57.4	35%	0.348	31%	0.314	S	S	.	.			trans	-142.1	70.3	178.6	-170.8	-1.1	0	0	0	112.1	T246 V247 E252 R253 Y254	T246-D250 PolarHBondContact O-N 2.88Å; V247-D250 CarbonylContact O-C 3.58Å; V247-D250 VanDerWaalsContact O-C 3.28Å; V247-D250 PolarHBondContact O-N 3.46Å; D250-E252 PolarHBondContact O-N 2.97Å; D250-R253 HydrophobicContact CB-CB 4.37Å; D250-R253 VanDerWaalsContact CG-CB 3.43Å; D250-R253 PolarHBondContact O-N 3.1Å; D250-R253 PolarHBondContact OD1-N 2.73Å; D250-R253 VanDerWaalsContact OD2-CB 3.24Å; D250-R253 WeakPolarHBondContact OD2-CB 3.31Å; D250-Y254 HydrophobicContact CB-CD2 4.27Å; D250-Y254 HydrophobicContact CB-CE2 4.15Å; D250-Y254 WeakPolarHBondContact O-CD2 3.49Å; D250-Y254 PolarHBondContact O-N 3.28Å
251	P	97.4	Very high	95.9	Very high	19 Å²	19	54.2 Å²	54.2	12%	0.123	29%	0.292	C	S	.	.	H	α-helix	trans	-62	-29	-178.2	-23.5	34.4	0	0	0	113.4	V247 R253 Y254 I255 K288 F292	V247-P251 WeakPolarHBondContact O-CA 3.42Å; V247-P251 WeakPolarHBondContact O-CD 3.32Å; V247-P251 WeakPolarHBondContact O-CG 3.4Å; V247-P251 VanDerWaalsContact O-N 3.09Å; P251-R253 VanDerWaalsContact C-N 3.32Å; P251-R253 PolarHBondContact O-N 2.86Å; P251-Y254 PolarHBondContact O-N 3.46Å; P251-I255 HydrophobicContact CB-CD1 4.1Å; P251-I255 HydrophobicContact CB-CG1 4.45Å; P251-I255 WeakPolarHBondContact O-CA 3.47Å; P251-I255 VanDerWaalsContact O-CB 3.28Å; P251-I255 WeakPolarHBondContact O-CB 3.28Å; P251-I255 PolarHBondContact O-N 2.75Å; P251-K288 HydrophobicContact CG-CG 4.12Å; P251-F292 HydrophobicContact CB-CB 4.17Å; P251-F292 HydrophobicContact CB-CD1 4.19Å; P251-F292 HydrophobicContact CB-CD2 4.29Å; P251-F292 HydrophobicContact CB-CG 3.95Å
252	E	97.2	Very high	96.4	Very high	136 Å²	136	54.4 Å²	54.4	64%	0.636	29%	0.288	S	S	*	.	H	α-helix	trans	-65.6	-35.9	-179	-77.9	-178.6	-159.6	0	0	112.8	D250 F292	D250-E252 PolarHBondContact O-N 2.97Å; E252-F292 HydrophobicContact CB-CE2 4.38Å; E252-F292 HydrophobicContact CB-CZ 4.38Å; E252-F292 HydrophobicContact CG-CD2 4.31Å; E252-F292 HydrophobicContact CG-CE2 3.38Å; E252-F292 HydrophobicContact CG-CZ 3.8Å
253	R	98.1	Very high	96.7	Very high	112 Å²	112	55.7 Å²	55.7	42%	0.423	30%	0.298	S	S	.	.	H	α-helix	trans	-74.2	-45.3	175.5	-178.1	174.2	-176.9	-174.4	-4.9	112.3	T94 D96 D250 P251	T94-R253 WeakPolarHBondContact CB-O 3.29Å; T94-R253 WeakPolarHBondContact CG2-O 3.37Å; T94-R253 PolarHBondContact OG1-O 3.26Å; D96-R253 HydrophobicContact CB-CG 4.02Å; D96-R253 IonicContact OD1-CZ 3.96Å; D96-R253 IonicContact OD1-NE 2.75Å; D96-R253 PolarHBondContact OD1-NE 3.07Å; D96-R253 IonicContact OD1-NH2 3.59Å; D96-R253 PolarHBondContact OD1-NH2 3.02Å; D250-R253 HydrophobicContact CB-CB 4.37Å; D250-R253 VanDerWaalsContact CG-CB 3.43Å; D250-R253 PolarHBondContact O-N 3.1Å; D250-R253 PolarHBondContact OD1-N 2.73Å; D250-R253 VanDerWaalsContact OD2-CB 3.24Å; D250-R253 WeakPolarHBondContact OD2-CB 3.31Å; P251-R253 VanDerWaalsContact C-N 3.32Å; P251-R253 PolarHBondContact O-N 2.86Å
254	Y	98	Very high	97	Very high	17 Å²	17	55 Å²	55	7%	0.067	30%	0.295	C	S	.	.	H	α-helix	trans	-95.3	-25.1	-167.5	-63.1	-67	0	0	0	114.7	Y93 T94 D96 L97 F100 T246 V247 D250 P251	Y93-Y254 CarbonylContact C-O 3.25Å; Y93-Y254 VanDerWaalsContact CA-O 3.25Å; Y93-Y254 WeakPolarHBondContact CA-O 3.42Å; Y93-Y254 WeakPolarHBondContact CD1-O 3.35Å; T94-Y254 PolarHBondContact N-O 2.83Å; T94-Y254 WeakPolarHBondContact OG1-CA 3Å; T94-Y254 PolarHBondContact OG1-O 2.98Å; D96-Y254 HydrophobicContact CB-CD1 3.9Å; D96-Y254 HydrophobicContact CB-CE1 3.91Å; L97-Y254 HydrophobicContact CB-CD1 3.98Å; L97-Y254 HydrophobicContact CD1-CD1 4.22Å; F100-Y254 HydrophobicContact CB-CE1 4.17Å; T246-Y254 HydrophobicContact CG2-CD2 4.26Å; T246-Y254 HydrophobicContact CG2-CE1 4.44Å; T246-Y254 HydrophobicContact CG2-CE2 3.48Å; T246-Y254 VanDerWaalsContact CG2-CE2 3.48Å; V247-Y254 HydrophobicContact CG2-CG 4.29Å; D250-Y254 HydrophobicContact CB-CD2 4.27Å; D250-Y254 HydrophobicContact CB-CE2 4.15Å; D250-Y254 WeakPolarHBondContact O-CD2 3.49Å; D250-Y254 PolarHBondContact O-N 3.28Å; P251-Y254 PolarHBondContact O-N 3.46Å
255	I	98.3	Very high	97.3	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-104.5	121.3	-179.4	-50.5	-176.4	0	0	0	109.3	A91 Y93 V247 P251 K257 F292 L293	A91-I255 HydrophobicContact CB-CG2 4.44Å; Y93-I255 HydrophobicContact CD1-CG1 4.21Å; Y93-I255 HydrophobicContact CE1-CG1 4.06Å; V247-I255 HydrophobicContact CG1-CD1 3.93Å; V247-I255 HydrophobicContact CG1-CG1 3.85Å; P251-I255 HydrophobicContact CB-CD1 4.1Å; P251-I255 HydrophobicContact CB-CG1 4.45Å; P251-I255 WeakPolarHBondContact O-CA 3.47Å; P251-I255 VanDerWaalsContact O-CB 3.28Å; P251-I255 WeakPolarHBondContact O-CB 3.28Å; P251-I255 PolarHBondContact O-N 2.75Å; I255-K257 PolarHBondContact O-N 3.49Å; I255-F292 HydrophobicContact CB-CD1 4.04Å; I255-F292 HydrophobicContact CB-CE1 4.04Å; I255-F292 HydrophobicContact CG2-CD1 4.14Å; I255-F292 HydrophobicContact CG2-CE1 4.3Å; I255-L293 HydrophobicContact CG2-CD1 3.99Å; I255-L293 HydrophobicContact CG2-CD2 3.85Å; I255-L293 HydrophobicContact CG2-CG 4.07Å
256	A	97.6	Very high	97.5	Very high	24 Å²	24	52.1 Å²	52.1	20%	0.198	28%	0.278	C	S	.	.			trans	-66.2	127.3	175.6	0	0	0	0	0	110.6	H92 T94 A258 L293	H92-A256 HydrophobicContact CB-CB 4.23Å; H92-A256 WeakPolarHBondContact O-CB 3.33Å; H92-A256 PolarHBondContact O-N 3.46Å; T94-A256 HydrophobicContact CG2-CB 4.29Å; A256-A258 PolarHBondContact O-N 2.94Å; A256-L293 WeakPolarHBondContact O-CD2 3.3Å
257	K	97	Very high	97.6	Very high	142 Å²	142	53.2 Å²	53.2	62%	0.617	28%	0.279	S	S	*	.			trans	-57.9	135.7	177.6	-65.8	-177.6	-179.7	179.6	0	111.2	I255 F292	I255-K257 PolarHBondContact O-N 3.49Å; K257-F292 HydrophobicContact CG-CE1 4.36Å; K257-F292 HydrophobicContact CG-CZ 3.98Å
258	A	96.6	Very high	97.8	Very high	17 Å²	17	53.1 Å²	53.1	14%	0.14	28%	0.279	C	S	.	.			trans	-126	73.5	176.8	0	0	0	0	0	110.5	A256 Q260 L261 L293	A256-A258 PolarHBondContact O-N 2.94Å; A258-Q260 PolarHBondContact O-N 2.92Å; A258-L261 HydrophobicContact CB-CB 3.85Å; A258-L261 HydrophobicContact CB-CD2 4.46Å; A258-L261 VanDerWaalsContact O-CB 3.31Å; A258-L261 WeakPolarHBondContact O-CB 3.27Å; A258-L261 PolarHBondContact O-N 3.23Å; A258-L293 HydrophobicContact CB-CD2 4.08Å
259	P	96.2	Very high	97.9	Very high	108 Å²	108	52.1 Å²	52.1	70%	0.701	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.9	-169.5	23.9	-34.9	0	0	0	114.6
260	Q	97.8	Very high	98	Very high	100 Å²	100	54.2 Å²	54.2	47%	0.467	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-4.1	179	-65.7	-61.3	-41.1	0	0	113.3	A258 T263 F264 T486 L489	A258-Q260 PolarHBondContact O-N 2.92Å; Q260-T263 PolarHBondContact O-N 3.33Å; Q260-F264 WeakPolarHBondContact O-CB 3.37Å; Q260-F264 PolarHBondContact O-N 3.3Å; Q260-T486 HydrophobicContact CB-CG2 4.13Å; Q260-L489 HydrophobicContact CB-CD1 3.66Å; Q260-L489 HydrophobicContact CG-CD1 4.35Å
261	L	98.6	Very high	98	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-67	-46.4	-176.1	-175.2	62.3	0	0	0	111.6	L90 A258 T263 F264 L265 L293 V294 V485 T486	L90-L261 HydrophobicContact CB-CD2 4.44Å; L90-L261 HydrophobicContact CD2-CD1 3.89Å; L90-L261 WeakPolarHBondContact O-CD2 3.38Å; A258-L261 HydrophobicContact CB-CB 3.85Å; A258-L261 HydrophobicContact CB-CD2 4.46Å; A258-L261 VanDerWaalsContact O-CB 3.31Å; A258-L261 WeakPolarHBondContact O-CB 3.27Å; A258-L261 PolarHBondContact O-N 3.23Å; L261-T263 PolarHBondContact O-N 3.42Å; L261-F264 HydrophobicContact CD1-CD1 4.48Å; L261-F264 PolarHBondContact O-N 3.02Å; L261-L265 HydrophobicContact CD1-CD1 4.42Å; L261-L265 HydrophobicContact CD1-CG 4.38Å; L261-L265 HydrophobicContact CG-CD1 4.2Å; L261-L265 WeakPolarHBondContact O-CG 3.37Å; L261-L265 PolarHBondContact O-N 2.98Å; L261-L293 HydrophobicContact CD2-CB 4.03Å; L261-L293 HydrophobicContact CD2-CD1 4.26Å; L261-V294 HydrophobicContact CD2-CG2 3.91Å; L261-V294 HydrophobicContact CG-CG2 4.07Å; L261-V485 HydrophobicContact CD1-CG2 3.99Å; L261-T486 HydrophobicContact CB-CG2 4.23Å; L261-T486 HydrophobicContact CD1-CG2 4.12Å
262	S	98.4	Very high	98	Very high	32 Å²	32	60.9 Å²	60.9	22%	0.224	31%	0.309	C	S	.	.	H	α-helix	trans	-56.2	-52.2	175.2	-173.1	0	0	0	0	111	F264 L265 H266 V294	S262-F264 VanDerWaalsContact C-N 3.28Å; S262-F264 PolarHBondContact O-N 2.71Å; S262-L265 PolarHBondContact O-N 3.34Å; S262-H266 WeakPolarHBondContact O-CB 3.49Å; S262-H266 PolarHBondContact O-CD2 3.19Å; S262-H266 VanDerWaalsContact O-CD2 3.28Å; S262-H266 PolarHBondContact O-N 3.37Å; S262-H266 PolarHBondContact OG-CD2 3.49Å; S262-V294 PolarHBondContact OG-O 3.46Å
263	T	98.5	Very high	98.1	Very high	74 Å²	74	55.2 Å²	55.2	45%	0.454	28%	0.282	S	S	.	.	H	α-helix	trans	-54.1	-43	176	-50.8	0	0	0	0	112.6	Q260 L261 R267 L489	Q260-T263 PolarHBondContact O-N 3.33Å; L261-T263 PolarHBondContact O-N 3.42Å; T263-R267 VanDerWaalsContact O-CB 3.28Å; T263-R267 WeakPolarHBondContact O-CB 3.07Å; T263-R267 PolarHBondContact O-N 3.48Å; T263-L489 HydrophobicContact CG2-CD2 4.37Å
264	F	98.6	Very high	98.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-49.7	179.2	172.6	-116.2	0	0	0	112.5	F84 Q260 L261 S262 R267 L268 V485 T486 L488 L489	F84-F264 AromaticContact CE1-CE1 3.92Å; F84-F264 HydrophobicContact CE1-CE1 3.92Å; F84-F264 AromaticContact CZ-CE1 3.88Å; F84-F264 HydrophobicContact CZ-CE1 3.88Å; F84-F264 HydrophobicContact CZ-CZ 4.4Å; Q260-F264 WeakPolarHBondContact O-CB 3.37Å; Q260-F264 PolarHBondContact O-N 3.3Å; L261-F264 HydrophobicContact CD1-CD1 4.48Å; L261-F264 PolarHBondContact O-N 3.02Å; S262-F264 VanDerWaalsContact C-N 3.28Å; S262-F264 PolarHBondContact O-N 2.71Å; F264-R267 PolarHBondContact O-N 2.81Å; F264-L268 HydrophobicContact CE1-CD1 3.95Å; F264-L268 HydrophobicContact CE2-CD1 4Å; F264-L268 HydrophobicContact CE2-CD2 4.37Å; F264-L268 HydrophobicContact CE2-CG 4.2Å; F264-L268 HydrophobicContact CZ-CD1 3.65Å; F264-L268 HydrophobicContact CZ-CG 4.36Å; F264-L268 WeakPolarHBondContact O-CG 3.47Å; F264-L268 PolarHBondContact O-N 2.98Å; F264-V485 HydrophobicContact CD1-CG2 4.09Å; F264-V485 HydrophobicContact CE1-CB 3.95Å; F264-V485 HydrophobicContact CE1-CG2 3.91Å; F264-V485 HydrophobicContact CZ-CB 4.49Å; F264-T486 HydrophobicContact CB-CG2 4.23Å; F264-L488 HydrophobicContact CD2-CB 4.47Å; F264-L488 HydrophobicContact CE2-CB 3.71Å; F264-L488 HydrophobicContact CE2-CD1 4.14Å; F264-L488 HydrophobicContact CZ-CB 4.27Å; F264-L488 HydrophobicContact CZ-CD1 3.92Å; F264-L489 HydrophobicContact CB-CD1 3.98Å; F264-L489 HydrophobicContact CB-CD2 3.97Å; F264-L489 HydrophobicContact CB-CG 3.88Å; F264-L489 HydrophobicContact CD2-CD2 4.14Å; F264-L489 HydrophobicContact CD2-CG 4.07Å; F264-L489 HydrophobicContact CG-CG 4.41Å
265	L	98.8	Very high	98.2	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.3	-44.7	-179.1	-63.2	174.3	0	0	0	111.3	F84 L90 L261 S262 R267 L268 V269 L275 V294 L301 F302	F84-L265 HydrophobicContact CE2-CD2 4.07Å; F84-L265 HydrophobicContact CZ-CD2 4.2Å; L90-L265 HydrophobicContact CD2-CD2 4.5Å; L261-L265 HydrophobicContact CD1-CD1 4.42Å; L261-L265 HydrophobicContact CD1-CG 4.38Å; L261-L265 HydrophobicContact CG-CD1 4.2Å; L261-L265 WeakPolarHBondContact O-CG 3.37Å; L261-L265 PolarHBondContact O-N 2.98Å; S262-L265 PolarHBondContact O-N 3.34Å; L265-R267 PolarHBondContact O-N 3.04Å; L265-L268 WeakPolarHBondContact O-CB 3.31Å; L265-L268 PolarHBondContact O-N 3.32Å; L265-V269 WeakPolarHBondContact O-CG2 3.29Å; L265-V269 PolarHBondContact O-N 3.25Å; L265-V269 VanDerWaalsContact O-N 3.09Å; L265-L275 HydrophobicContact CB-CD1 4.28Å; L265-L275 HydrophobicContact CD2-CD1 4.02Å; L265-V294 HydrophobicContact CD1-CG1 4.37Å; L265-V294 HydrophobicContact CD1-CG2 3.85Å; L265-L301 HydrophobicContact CB-CD1 3.88Å; L265-L301 HydrophobicContact CD1-CD1 4.19Å; L265-F302 HydrophobicContact CD1-CE2 4.37Å; L265-F302 HydrophobicContact CD1-CZ 3.97Å; L265-F302 HydrophobicContact CD2-CZ 4.19Å
266	H	98.6	Very high	98.2	Very high	76 Å²	76	52.9 Å²	52.9	35%	0.352	28%	0.276	S	S	.	.	H	α-helix	trans	-59.3	-45.7	175.4	-84.8	-81.3	0	0	0	111.9	S262 L268 V269 E270	S262-H266 WeakPolarHBondContact O-CB 3.49Å; S262-H266 PolarHBondContact O-CD2 3.19Å; S262-H266 VanDerWaalsContact O-CD2 3.28Å; S262-H266 PolarHBondContact O-N 3.37Å; S262-H266 PolarHBondContact OG-CD2 3.49Å; H266-L268 PolarHBondContact O-N 3.26Å; H266-V269 PolarHBondContact O-N 3.22Å; H266-V269 VanDerWaalsContact O-N 3.11Å; H266-E270 WeakPolarHBondContact O-CB 3.41Å; H266-E270 VanDerWaalsContact O-CG 3.27Å; H266-E270 WeakPolarHBondContact O-CG 3.48Å; H266-E270 PolarHBondContact O-N 3.2Å
267	R	98.6	Very high	98.2	Very high	43 Å²	43	51.7 Å²	51.7	16%	0.162	27%	0.266	C	S	.	.	H	α-helix	trans	-56.6	-39.1	177	-174.7	-177	70.5	160	4.5	112.1	T263 F264 L265 N271 L488 L489 F491	T263-R267 VanDerWaalsContact O-CB 3.28Å; T263-R267 WeakPolarHBondContact O-CB 3.07Å; T263-R267 PolarHBondContact O-N 3.48Å; F264-R267 PolarHBondContact O-N 2.81Å; L265-R267 PolarHBondContact O-N 3.04Å; R267-N271 WeakPolarHBondContact O-CB 3.23Å; R267-N271 PolarHBondContact O-N 3.1Å; R267-N271 PolarHBondContact O-ND2 2.88Å; R267-L488 VanDerWaalsContact NH2-C 3.34Å; R267-L488 PolarHBondContact NH2-O 3.48Å; R267-L489 PolarHBondContact NH1-O 2.84Å; R267-L489 VanDerWaalsContact NH1-O 3.08Å; R267-F491 PolarHBondContact NH1-O 2.9Å
268	L	98.7	Very high	98.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.8	-48.8	176.4	-66.6	177	0	0	0	111.3	Y82 F84 F264 L265 H266 N271 N272 K273 L275 L493	Y82-L268 HydrophobicContact CD1-CD1 4.01Å; Y82-L268 HydrophobicContact CD1-CD2 4.32Å; Y82-L268 HydrophobicContact CD2-CD1 4.22Å; Y82-L268 HydrophobicContact CD2-CD2 4.01Å; Y82-L268 HydrophobicContact CE1-CD2 4.07Å; Y82-L268 HydrophobicContact CE2-CD2 3.74Å; Y82-L268 HydrophobicContact CG-CD1 3.85Å; Y82-L268 HydrophobicContact CG-CD2 4.3Å; F84-L268 HydrophobicContact CZ-CD1 4.17Å; F264-L268 HydrophobicContact CE1-CD1 3.95Å; F264-L268 HydrophobicContact CE2-CD1 4Å; F264-L268 HydrophobicContact CE2-CD2 4.37Å; F264-L268 HydrophobicContact CE2-CG 4.2Å; F264-L268 HydrophobicContact CZ-CD1 3.65Å; F264-L268 HydrophobicContact CZ-CG 4.36Å; F264-L268 WeakPolarHBondContact O-CG 3.47Å; F264-L268 PolarHBondContact O-N 2.98Å; L265-L268 WeakPolarHBondContact O-CB 3.31Å; L265-L268 PolarHBondContact O-N 3.32Å; H266-L268 PolarHBondContact O-N 3.26Å; L268-N271 CarbonylContact O-C 3.54Å; L268-N271 PolarHBondContact O-N 3.14Å; L268-N272 PolarHBondContact O-N 3.34Å; L268-K273 HydrophobicContact CB-CB 4.08Å; L268-K273 HydrophobicContact CB-CG 4.36Å; L268-K273 HydrophobicContact CD2-CG 4.26Å; L268-K273 VanDerWaalsContact O-CB 3.23Å; L268-K273 WeakPolarHBondContact O-CB 3.19Å; L268-K273 WeakPolarHBondContact O-CG 3.25Å; L268-K273 PolarHBondContact O-N 2.71Å; L268-L275 HydrophobicContact CB-CD1 4.49Å; L268-L275 HydrophobicContact CB-CD2 3.86Å; L268-L275 HydrophobicContact CD1-CD2 3.72Å; L268-L275 HydrophobicContact CG-CD2 4.45Å; L268-L493 HydrophobicContact CD2-CD1 4.44Å; L268-L493 HydrophobicContact CD2-CD2 3.78Å
269	V	98.5	Very high	98.3	Very high	30 Å²	30	44.1 Å²	44.1	18%	0.182	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-44.9	180	175.9	0	0	0	0	111.6	L265 H266 N271 N272 L275 L301	L265-V269 WeakPolarHBondContact O-CG2 3.29Å; L265-V269 PolarHBondContact O-N 3.25Å; L265-V269 VanDerWaalsContact O-N 3.09Å; H266-V269 PolarHBondContact O-N 3.22Å; H266-V269 VanDerWaalsContact O-N 3.11Å; V269-N271 PolarHBondContact O-N 2.83Å; V269-N272 WeakPolarHBondContact O-CA 3.38Å; V269-N272 PolarHBondContact O-N 3.19Å; V269-L275 HydrophobicContact CG2-CD1 3.64Å; V269-L275 HydrophobicContact CG2-CG 4.02Å; V269-L301 HydrophobicContact CG2-CB 4.32Å; V269-L301 HydrophobicContact CG2-CD2 4.11Å; V269-L301 WeakPolarHBondContact CG2-O 3.09Å
270	E	98.3	Very high	98.2	Very high	140 Å²	140	42.5 Å²	42.5	65%	0.654	22%	0.215	S	C	*	.	H	α-helix	trans	-61.4	-28.1	177.1	-72.5	169.8	-179.9	0	0	112.6	H266 N272	H266-E270 WeakPolarHBondContact O-CB 3.41Å; H266-E270 VanDerWaalsContact O-CG 3.27Å; H266-E270 WeakPolarHBondContact O-CG 3.48Å; H266-E270 PolarHBondContact O-N 3.2Å; E270-N272 VanDerWaalsContact C-N 3.26Å; E270-N272 PolarHBondContact O-N 3.35Å
271	N	98.4	Very high	98.1	Very high	83 Å²	83	38.9 Å²	38.9	44%	0.444	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	25.8	174.2	-74.7	-92.4	0	0	0	112.6	R267 L268 V269 K273 L493	R267-N271 WeakPolarHBondContact O-CB 3.23Å; R267-N271 PolarHBondContact O-N 3.1Å; R267-N271 PolarHBondContact O-ND2 2.88Å; L268-N271 CarbonylContact O-C 3.54Å; L268-N271 PolarHBondContact O-N 3.14Å; V269-N271 PolarHBondContact O-N 2.83Å; N271-K273 PolarHBondContact O-N 3.17Å; N271-L493 HydrophobicContact CB-CD1 3.37Å
272	N	98.1	Very high	97.9	Very high	140 Å²	140	40.3 Å²	40.3	75%	0.749	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	25.5	175.1	-58.3	-67.4	0	0	0	114.8	L268 V269 E270	L268-N272 PolarHBondContact O-N 3.34Å; V269-N272 WeakPolarHBondContact O-CA 3.38Å; V269-N272 PolarHBondContact O-N 3.19Å; E270-N272 VanDerWaalsContact C-N 3.26Å; E270-N272 PolarHBondContact O-N 3.35Å
273	K	98.6	Very high	97.7	Very high	17 Å²	17	38.9 Å²	38.9	7%	0.074	20%	0.202	C	C	.	.			trans	-81.3	145	173.1	-51.9	-57.7	175	179.8	0	110.2	I79 Q80 Y82 L268 N271	I79-K273 WeakPolarHBondContact O-CE 3.29Å; I79-K273 PolarHBondContact O-NZ 2.97Å; Q80-K273 WeakPolarHBondContact O-CA 3.32Å; Y82-K273 HydrophobicContact CD2-CB 3.99Å; Y82-K273 HydrophobicContact CD2-CG 4.21Å; Y82-K273 HydrophobicContact CE2-CB 4.2Å; Y82-K273 HydrophobicContact CE2-CD 4.07Å; Y82-K273 HydrophobicContact CE2-CG 3.89Å; L268-K273 HydrophobicContact CB-CB 4.08Å; L268-K273 HydrophobicContact CB-CG 4.36Å; L268-K273 HydrophobicContact CD2-CG 4.26Å; L268-K273 VanDerWaalsContact O-CB 3.23Å; L268-K273 WeakPolarHBondContact O-CB 3.19Å; L268-K273 WeakPolarHBondContact O-CG 3.25Å; L268-K273 PolarHBondContact O-N 2.71Å; N271-K273 PolarHBondContact O-N 3.17Å
274	K	98.7	Very high	97.6	Very high	82 Å²	82	37 Å²	37	36%	0.357	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	134.7	173.9	-63	-60.8	-173.4	178.8	0	109.8	Q80 V81 Y82 D303 W360	Q80-K274 PolarHBondContact O-N 3.34Å; V81-K274 CarbonylContact C-O 3.47Å; V81-K274 VanDerWaalsContact CA-O 3.29Å; V81-K274 WeakPolarHBondContact CA-O 3.32Å; V81-K274 HydrophobicContact CB-CB 4.44Å; V81-K274 HydrophobicContact CG1-CB 4.13Å; V81-K274 HydrophobicContact CG2-CB 4.18Å; Y82-K274 PolarHBondContact N-O 3.15Å; K274-D303 WeakPolarHBondContact CA-OD2 3.12Å; K274-D303 HydrophobicContact CD-CB 4.45Å; K274-D303 VanDerWaalsContact CD-CG 3.43Å; K274-D303 WeakPolarHBondContact CD-OD1 3.07Å; K274-D303 VanDerWaalsContact CD-OD2 3.25Å; K274-D303 WeakPolarHBondContact CD-OD2 3.27Å; K274-D303 IonicContact NZ-OD1 3.92Å; K274-D303 PolarHBondContact NZ-OD1 2.54Å; K274-W360 HydrophobicContact CB-CZ2 3.88Å; K274-W360 HydrophobicContact CG-CZ2 4.39Å
275	L	98.8	Very high	97.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.2	-178.7	-52.3	-169.8	0	0	0	111.3	Y82 F84 L265 L268 V269 L301 F302 D303 V304	Y82-L275 HydrophobicContact CG-CD2 4.49Å; Y82-L275 VanDerWaalsContact O-CA 3.3Å; Y82-L275 WeakPolarHBondContact O-CA 3.35Å; F84-L275 HydrophobicContact CE2-CD2 4.29Å; L265-L275 HydrophobicContact CB-CD1 4.28Å; L265-L275 HydrophobicContact CD2-CD1 4.02Å; L268-L275 HydrophobicContact CB-CD1 4.49Å; L268-L275 HydrophobicContact CB-CD2 3.86Å; L268-L275 HydrophobicContact CD1-CD2 3.72Å; L268-L275 HydrophobicContact CG-CD2 4.45Å; V269-L275 HydrophobicContact CG2-CD1 3.64Å; V269-L275 HydrophobicContact CG2-CG 4.02Å; L275-L301 WeakPolarHBondContact CB-O 3.45Å; L275-L301 HydrophobicContact CD1-CB 4.48Å; L275-F302 HydrophobicContact CB-CD1 3.57Å; L275-F302 HydrophobicContact CB-CE1 3.96Å; L275-F302 HydrophobicContact CB-CG 4.38Å; L275-F302 HydrophobicContact CD1-CE1 4.38Å; L275-D303 PolarHBondContact N-OD2 3.01Å; L275-D303 VanDerWaalsContact N-OD2 3.15Å; L275-D303 PolarHBondContact O-N 3.02Å; L275-V304 PolarHBondContact O-N 3.02Å
276	F	98.7	Very high	97.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156	169.4	68.2	-92.7	0	0	0	113.5	V81 Y82 G83 F84 I278 V304 M354 W360 I365 Y367 W385	V81-F276 HydrophobicContact CG1-CD1 3.59Å; V81-F276 HydrophobicContact CG1-CE1 3.59Å; Y82-F276 PolarHBondContact O-N 3.26Å; G83-F276 VanDerWaalsContact CA-CE2 3.46Å; G83-F276 WeakPolarHBondContact CA-O 3.24Å; F84-F276 PolarHBondContact N-O 2.79Å; F276-I278 HydrophobicContact CD2-CD1 3.93Å; F276-I278 HydrophobicContact CD2-CG1 3.88Å; F276-I278 HydrophobicContact CE2-CD1 3.57Å; F276-I278 HydrophobicContact CE2-CG1 4.02Å; F276-V304 CarbonylContact C-O 3.58Å; F276-V304 WeakPolarHBondContact CA-O 3.14Å; F276-V304 HydrophobicContact CB-CB 3.84Å; F276-V304 WeakPolarHBondContact CB-O 3.35Å; F276-M354 HydrophobicContact CB-CE 4.08Å; F276-M354 HydrophobicContact CD1-CE 3.93Å; F276-M354 HydrophobicContact CD2-CE 3.65Å; F276-M354 HydrophobicContact CE1-CE 4.16Å; F276-M354 HydrophobicContact CE2-CE 3.91Å; F276-M354 HydrophobicContact CG-CE 3.63Å; F276-M354 HydrophobicContact CZ-CE 4.13Å; F276-W360 HydrophobicContact CB-CH2 4.12Å; F276-W360 HydrophobicContact CB-CZ3 4.11Å; F276-W360 HydrophobicContact CD1-CE3 4.2Å; F276-W360 AromaticContact CD1-CH2 3.97Å; F276-W360 HydrophobicContact CD1-CH2 3.97Å; F276-W360 AromaticContact CD1-CZ3 3.34Å; F276-W360 HydrophobicContact CD1-CZ3 3.34Å; F276-W360 HydrophobicContact CE1-CE3 4.37Å; F276-W360 AromaticContact CE1-CZ3 3.92Å; F276-W360 HydrophobicContact CE1-CZ3 3.92Å; F276-W360 HydrophobicContact CG-CH2 4.43Å; F276-W360 AromaticContact CG-CZ3 3.95Å; F276-W360 HydrophobicContact CG-CZ3 3.95Å; F276-I365 HydrophobicContact CE1-CG2 3.98Å; F276-I365 HydrophobicContact CZ-CG2 4.07Å; F276-Y367 AromaticContact CE2-CD2 3.66Å; F276-Y367 HydrophobicContact CE2-CD2 3.66Å; F276-Y367 AromaticContact CE2-CE2 3.89Å; F276-Y367 HydrophobicContact CE2-CE2 3.89Å; F276-Y367 AromaticContact CZ-CD2 3.89Å; F276-Y367 HydrophobicContact CZ-CD2 3.89Å; F276-W385 HydrophobicContact CE2-CH2 4.48Å; F276-W385 HydrophobicContact CE2-CZ3 4.2Å; F276-W385 AromaticContact CZ-CH2 3.83Å; F276-W385 HydrophobicContact CZ-CH2 3.83Å; F276-W385 AromaticContact CZ-CZ3 3.55Å; F276-W385 HydrophobicContact CZ-CZ3 3.55Å
277	V	98.7	Very high	97.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.6	171.3	178.1	0	0	0	0	109.9	F84 L90 F302 V304 I306	F84-V277 CarbonylContact O-C 3.51Å; F84-V277 VanDerWaalsContact O-CA 3.29Å; F84-V277 WeakPolarHBondContact O-CA 3.16Å; L90-V277 HydrophobicContact CD1-CG2 3.96Å; V277-F302 HydrophobicContact CG2-CD1 3.62Å; V277-F302 HydrophobicContact CG2-CE1 3.34Å; V277-F302 HydrophobicContact CG2-CE2 4.33Å; V277-F302 HydrophobicContact CG2-CG 4.22Å; V277-F302 HydrophobicContact CG2-CZ 3.74Å; V277-V304 PolarHBondContact N-O 2.78Å; V277-I306 PolarHBondContact O-N 3.26Å
278	I	98	Very high	97.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	111.1	170.4	-59.9	167.1	0	0	0	108.3	F84 D85 F276 I306 A309 K311 F314 F315 M354 Y367	F84-I278 PolarHBondContact O-N 2.83Å; D85-I278 VanDerWaalsContact OD1-O 3.07Å; F276-I278 HydrophobicContact CD2-CD1 3.93Å; F276-I278 HydrophobicContact CD2-CG1 3.88Å; F276-I278 HydrophobicContact CE2-CD1 3.57Å; F276-I278 HydrophobicContact CE2-CG1 4.02Å; I278-I306 HydrophobicContact CG1-CB 4.4Å; I278-I306 HydrophobicContact CG1-CD1 4.03Å; I278-A309 HydrophobicContact CG2-CB 3.47Å; I278-A309 VanDerWaalsContact CG2-CB 3.47Å; I278-K311 HydrophobicContact CG2-CD 4.09Å; I278-K311 HydrophobicContact CG2-CG 4.3Å; I278-F314 HydrophobicContact CD1-CD1 4.38Å; I278-F314 HydrophobicContact CD1-CE1 3.69Å; I278-F314 HydrophobicContact CD1-CZ 4.29Å; I278-F314 HydrophobicContact CG1-CE1 4.36Å; I278-F314 HydrophobicContact CG2-CD1 4.01Å; I278-F314 HydrophobicContact CG2-CE1 4.08Å; I278-F314 HydrophobicContact CG2-CG 4.38Å; I278-F314 HydrophobicContact CG2-CZ 4.46Å; I278-F315 HydrophobicContact CD1-CE1 4.09Å; I278-F315 HydrophobicContact CD1-CZ 4.42Å; I278-F315 HydrophobicContact CG2-CZ 4.35Å; I278-M354 HydrophobicContact CD1-SD 3.92Å; I278-M354 HydrophobicContact CG1-SD 4.48Å; I278-Y367 HydrophobicContact CD1-CE2 4.41Å
279	S	97.1	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.			trans	-134	150.4	-178.8	179.8	0	0	0	0	112.6	S281 I306 S307 R308 A309	S279-S281 VanDerWaalsContact C-N 3.28Å; S279-S281 WeakPolarHBondContact OG-CB 3.34Å; S279-S281 PolarHBondContact OG-N 2.65Å; S279-I306 PolarHBondContact N-O 2.84Å; S279-S307 CarbonylContact O-C 3.59Å; S279-R308 PolarHBondContact O-N 3.46Å; S279-A309 WeakPolarHBondContact O-CB 3.39Å; S279-A309 PolarHBondContact O-N 3.31Å
280	N	94.7	Very high	97.2	Very high	73 Å²	73	35.5 Å²	35.5	39%	0.39	19%	0.185	S	C	.	.	S	Bend	trans	-77.4	-15.9	169.3	-80.6	-10.2	0	0	0	112.7	N310 K311	N280-N310 VanDerWaalsContact OD1-CA 3.32Å; N280-N310 WeakPolarHBondContact OD1-CA 3.44Å; N280-N310 PolarHBondContact OD1-N 2.92Å; N280-K311 PolarHBondContact ND2-O 2.83Å; N280-K311 PolarHBondContact OD1-N 3.01Å
281	S	94.5	Very high	97.2	Very high	25 Å²	25	32.2 Å²	32.2	18%	0.175	17%	0.169	C	C	.	.	S	Bend	trans	-69.2	159.6	178	-73.5	0	0	0	0	112.2	D87 S279 S307 R308	D87-S281 PolarHBondContact OD2-OG 3.42Å; S279-S281 VanDerWaalsContact C-N 3.28Å; S279-S281 WeakPolarHBondContact OG-CB 3.34Å; S279-S281 PolarHBondContact OG-N 2.65Å; S281-S307 WeakPolarHBondContact O-CB 3.36Å; S281-R308 PolarHBondContact O-N 3.43Å
282	S	94.2	Very high	97.2	Very high	32 Å²	32	31.1 Å²	31.1	22%	0.224	16%	0.16	C	C	.	.			trans	-74.6	155.5	178	65.6	0	0	0	0	111.8	A284 Y285 I286	S282-A284 VanDerWaalsContact C-N 3.32Å; S282-A284 PolarHBondContact O-N 3.34Å; S282-Y285 PolarHBondContact O-N 3.45Å; S282-Y285 VanDerWaalsContact O-N 3.16Å; S282-Y285 WeakPolarHBondContact OG-CB 3.37Å; S282-Y285 PolarHBondContact OG-N 2.86Å; S282-I286 WeakPolarHBondContact O-CG1 3.4Å; S282-I286 PolarHBondContact O-N 3.02Å; S282-I286 VanDerWaalsContact O-N 3.08Å
283	A	95.5	Very high	97.2	Very high	2 Å²	2	25.1 Å²	25.1	2%	0.017	13%	0.128	C	C	.	.	H	α-helix	trans	-53.9	-45.6	175.9	0	0	0	0	0	112.9	Y285 I286 D287 I345	A283-Y285 VanDerWaalsContact C-N 3.32Å; A283-Y285 PolarHBondContact O-N 3.24Å; A283-I286 PolarHBondContact O-N 2.69Å; A283-D287 VanDerWaalsContact O-CB 3.28Å; A283-D287 WeakPolarHBondContact O-CB 3.24Å; A283-D287 PolarHBondContact O-N 3.16Å; A283-I345 HydrophobicContact CB-CD1 4.14Å; A283-I345 HydrophobicContact CB-CG2 3.89Å
284	A	94.9	Very high	97.2	Very high	34 Å²	34	25.2 Å²	25.2	28%	0.281	13%	0.13	S	C	.	.	H	α-helix	trans	-59.8	-40.5	178.1	0	0	0	0	0	113.1	M248 S282 K288 I327	M248-A284 HydrophobicContact SD-CB 4.33Å; S282-A284 VanDerWaalsContact C-N 3.32Å; S282-A284 PolarHBondContact O-N 3.34Å; A284-K288 WeakPolarHBondContact O-CB 3.46Å; A284-K288 PolarHBondContact O-N 3.35Å; A284-I327 WeakPolarHBondContact CA-O 3.27Å; A284-I327 HydrophobicContact CB-CG2 4.4Å; A284-I327 WeakPolarHBondContact CB-O 3.27Å; A284-I327 PolarHBondContact N-O 2.89Å
285	Y	96	Very high	97.1	Very high	9 Å²	9	22.6 Å²	22.6	4%	0.035	13%	0.126	C	C	.	.	H	α-helix	trans	-67.6	-47.5	-179.9	-174.9	-103.7	0	0	0	111.6	Y86 D87 Y93 L243 V247 M248 S282 A283 D287 K288 G289	Y86-Y285 HydrophobicContact CD1-CD1 4.34Å; Y86-Y285 HydrophobicContact CD1-CE1 4.34Å; Y86-Y285 AromaticContact CE1-CD1 3.69Å; Y86-Y285 HydrophobicContact CE1-CD1 3.69Å; Y86-Y285 AromaticContact CE1-CE1 3.59Å; Y86-Y285 HydrophobicContact CE1-CE1 3.59Å; D87-Y285 WeakPolarHBondContact OD1-CE1 3.46Å; Y93-Y285 VanDerWaalsContact CE1-OH 3.27Å; Y93-Y285 WeakPolarHBondContact CE1-OH 3.44Å; Y93-Y285 VanDerWaalsContact CZ-OH 3.27Å; Y93-Y285 VanDerWaalsContact OH-CE1 3.26Å; Y93-Y285 WeakPolarHBondContact OH-CE1 3.19Å; Y93-Y285 PolarHBondContact OH-OH 2.82Å; L243-Y285 HydrophobicContact CD2-CE2 4.43Å; V247-Y285 HydrophobicContact CB-CE2 3.81Å; V247-Y285 HydrophobicContact CG1-CE2 3.8Å; V247-Y285 HydrophobicContact CG2-CE2 4.34Å; M248-Y285 HydrophobicContact CG-CD2 4.08Å; S282-Y285 PolarHBondContact O-N 3.45Å; S282-Y285 VanDerWaalsContact O-N 3.16Å; S282-Y285 WeakPolarHBondContact OG-CB 3.37Å; S282-Y285 PolarHBondContact OG-N 2.86Å; A283-Y285 VanDerWaalsContact C-N 3.32Å; A283-Y285 PolarHBondContact O-N 3.24Å; Y285-D287 VanDerWaalsContact C-N 3.34Å; Y285-D287 PolarHBondContact O-N 3.38Å; Y285-K288 PolarHBondContact O-N 2.91Å; Y285-G289 PolarHBondContact O-N 3.42Å
286	I	97.3	Very high	97.1	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-59.8	-46.3	175.5	-63.5	165	0	0	0	110.3	Y86 S282 A283 K288 G289 L290 W298	Y86-I286 HydrophobicContact CD1-CG1 3.92Å; Y86-I286 HydrophobicContact CD2-CG2 4.2Å; Y86-I286 HydrophobicContact CE1-CG1 4.36Å; Y86-I286 HydrophobicContact CE2-CG2 4.49Å; Y86-I286 HydrophobicContact CG-CG1 4.03Å; Y86-I286 HydrophobicContact CG-CG2 4.46Å; S282-I286 WeakPolarHBondContact O-CG1 3.4Å; S282-I286 PolarHBondContact O-N 3.02Å; S282-I286 VanDerWaalsContact O-N 3.08Å; A283-I286 PolarHBondContact O-N 2.69Å; I286-K288 PolarHBondContact O-N 3.24Å; I286-G289 PolarHBondContact O-N 3.37Å; I286-L290 HydrophobicContact CG2-CD1 3.64Å; I286-L290 HydrophobicContact CG2-CG 4.24Å; I286-L290 WeakPolarHBondContact O-CB 3.33Å; I286-L290 PolarHBondContact O-N 2.96Å; I286-W298 HydrophobicContact CG2-CH2 3.81Å; I286-W298 HydrophobicContact CG2-CZ2 4.28Å; I286-W298 HydrophobicContact CG2-CZ3 4.35Å
287	D	97.4	Very high	97	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.064	19%	0.19	C	C	.	.	H	α-helix	trans	-60.1	-47.3	-179	-178.7	68.2	0	0	0	112.1	A283 Y285 G289 K291 W298 Q299 I327	A283-D287 VanDerWaalsContact O-CB 3.28Å; A283-D287 WeakPolarHBondContact O-CB 3.24Å; A283-D287 PolarHBondContact O-N 3.16Å; Y285-D287 VanDerWaalsContact C-N 3.34Å; Y285-D287 PolarHBondContact O-N 3.38Å; D287-G289 PolarHBondContact O-N 2.78Å; D287-K291 VanDerWaalsContact O-CB 3.27Å; D287-K291 WeakPolarHBondContact O-CB 3.47Å; D287-K291 WeakPolarHBondContact O-CG 3.48Å; D287-K291 PolarHBondContact O-N 3Å; D287-K291 VanDerWaalsContact OD1-CE 3.27Å; D287-K291 WeakPolarHBondContact OD1-CE 3.48Å; D287-K291 IonicContact OD1-NZ 3.48Å; D287-K291 PolarHBondContact OD1-NZ 3.3Å; D287-K291 VanDerWaalsContact OD2-CE 3.31Å; D287-K291 WeakPolarHBondContact OD2-CE 3.41Å; D287-K291 IonicContact OD2-NZ 3.28Å; D287-K291 PolarHBondContact OD2-NZ 3.41Å; D287-W298 HydrophobicContact CB-CZ2 3.96Å; D287-W298 PolarHBondContact OD1-NE1 2.76Å; D287-Q299 PolarHBondContact OD1-NE2 2.81Å; D287-I327 HydrophobicContact CB-CG2 3.8Å
288	K	96.9	Very high	97	Very high	95 Å²	95	34.6 Å²	34.6	41%	0.413	19%	0.19	S	C	.	.	H	α-helix	trans	-62.7	-43.4	-179.4	-171.3	62.9	167.3	179.1	0	111.9	M248 P251 A284 Y285 I286 F292	M248-K288 HydrophobicContact CB-CB 4.4Å; M248-K288 HydrophobicContact CB-CG 3.9Å; M248-K288 HydrophobicContact CG-CB 3.76Å; M248-K288 HydrophobicContact CG-CG 3.81Å; M248-K288 WeakPolarHBondContact O-CE 3.4Å; M248-K288 HydrophobicContact SD-CB 4.14Å; P251-K288 HydrophobicContact CG-CG 4.12Å; A284-K288 WeakPolarHBondContact O-CB 3.46Å; A284-K288 PolarHBondContact O-N 3.35Å; Y285-K288 PolarHBondContact O-N 2.91Å; I286-K288 PolarHBondContact O-N 3.24Å; K288-F292 PolarHBondContact O-N 3.35Å
289	G	98	Very high	97	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-73.3	-41.1	-179.6	0	0	0	0	0	113.7	Y86 Y285 I286 D287 F292 L293	Y86-G289 WeakPolarHBondContact OH-CA 3.48Å; Y285-G289 PolarHBondContact O-N 3.42Å; I286-G289 PolarHBondContact O-N 3.37Å; D287-G289 PolarHBondContact O-N 2.78Å; G289-F292 WeakPolarHBondContact O-CB 3.23Å; G289-F292 PolarHBondContact O-N 2.84Å; G289-F292 VanDerWaalsContact O-N 3.16Å; G289-L293 WeakPolarHBondContact O-CB 3.26Å; G289-L293 WeakPolarHBondContact O-CG 3.49Å; G289-L293 PolarHBondContact O-N 3.16Å
290	L	98.5	Very high	97	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-71.2	-30.1	176.1	-69.3	-180	0	0	0	112.6	Y86 L90 I286 F292 L293 V294 G295 W298 F302	Y86-L290 HydrophobicContact CD2-CD1 4.38Å; Y86-L290 HydrophobicContact CD2-CD2 4.18Å; Y86-L290 HydrophobicContact CD2-CG 4.13Å; Y86-L290 HydrophobicContact CE2-CD1 4.49Å; Y86-L290 HydrophobicContact CE2-CD2 3.91Å; Y86-L290 HydrophobicContact CE2-CG 3.78Å; L90-L290 HydrophobicContact CB-CD2 4.4Å; L90-L290 HydrophobicContact CD1-CD2 4.37Å; I286-L290 HydrophobicContact CG2-CD1 3.64Å; I286-L290 HydrophobicContact CG2-CG 4.24Å; I286-L290 WeakPolarHBondContact O-CB 3.33Å; I286-L290 PolarHBondContact O-N 2.96Å; L290-F292 VanDerWaalsContact C-N 3.29Å; L290-F292 PolarHBondContact O-N 2.77Å; L290-L293 PolarHBondContact O-N 3.44Å; L290-V294 HydrophobicContact CD2-CG2 4.27Å; L290-V294 WeakPolarHBondContact O-CA 3.44Å; L290-V294 VanDerWaalsContact O-CB 3.32Å; L290-V294 WeakPolarHBondContact O-CB 3.5Å; L290-V294 PolarHBondContact O-N 2.95Å; L290-G295 PolarHBondContact O-N 3.37Å; L290-W298 HydrophobicContact CB-CB 4.08Å; L290-W298 HydrophobicContact CB-CD2 3.54Å; L290-W298 HydrophobicContact CB-CE3 4.01Å; L290-W298 HydrophobicContact CB-CG 3.58Å; L290-W298 HydrophobicContact CD1-CD2 3.76Å; L290-W298 HydrophobicContact CD1-CE3 3.28Å; L290-W298 HydrophobicContact CD1-CH2 3.99Å; L290-W298 HydrophobicContact CD1-CZ2 4.41Å; L290-W298 HydrophobicContact CD1-CZ3 3.42Å; L290-W298 VanDerWaalsContact CD1-CZ3 3.42Å; L290-W298 HydrophobicContact CG-CD2 4.3Å; L290-W298 HydrophobicContact CG-CE3 4.28Å; L290-F302 HydrophobicContact CD1-CE2 4.47Å
291	K	98	Very high	97.2	Very high	70 Å²	70	38.5 Å²	38.5	30%	0.304	21%	0.206	S	C	.	.	H	α-helix	trans	-59.4	-41.4	167	-78.2	179.5	173.4	158	0	112.4	D287 G295	D287-K291 VanDerWaalsContact O-CB 3.27Å; D287-K291 WeakPolarHBondContact O-CB 3.47Å; D287-K291 WeakPolarHBondContact O-CG 3.48Å; D287-K291 PolarHBondContact O-N 3Å; D287-K291 VanDerWaalsContact OD1-CE 3.27Å; D287-K291 WeakPolarHBondContact OD1-CE 3.48Å; D287-K291 IonicContact OD1-NZ 3.48Å; D287-K291 PolarHBondContact OD1-NZ 3.3Å; D287-K291 VanDerWaalsContact OD2-CE 3.31Å; D287-K291 WeakPolarHBondContact OD2-CE 3.41Å; D287-K291 IonicContact OD2-NZ 3.28Å; D287-K291 PolarHBondContact OD2-NZ 3.41Å; K291-G295 WeakPolarHBondContact CA-O 3.12Å; K291-G295 WeakPolarHBondContact O-CA 3.48Å; K291-G295 PolarHBondContact O-N 2.84Å
292	F	98.1	Very high	97.4	Very high	60 Å²	60	37.3 Å²	37.3	26%	0.263	20%	0.198	S	C	.	.	H	α-helix	trans	-68.5	-41.1	177	175.1	-110.6	0	0	0	112.8	P251 E252 I255 K257 K288 G289 L290	P251-F292 HydrophobicContact CB-CB 4.17Å; P251-F292 HydrophobicContact CB-CD1 4.19Å; P251-F292 HydrophobicContact CB-CD2 4.29Å; P251-F292 HydrophobicContact CB-CG 3.95Å; E252-F292 HydrophobicContact CB-CE2 4.38Å; E252-F292 HydrophobicContact CB-CZ 4.38Å; E252-F292 HydrophobicContact CG-CD2 4.31Å; E252-F292 HydrophobicContact CG-CE2 3.38Å; E252-F292 HydrophobicContact CG-CZ 3.8Å; I255-F292 HydrophobicContact CB-CD1 4.04Å; I255-F292 HydrophobicContact CB-CE1 4.04Å; I255-F292 HydrophobicContact CG2-CD1 4.14Å; I255-F292 HydrophobicContact CG2-CE1 4.3Å; K257-F292 HydrophobicContact CG-CE1 4.36Å; K257-F292 HydrophobicContact CG-CZ 3.98Å; K288-F292 PolarHBondContact O-N 3.35Å; G289-F292 WeakPolarHBondContact O-CB 3.23Å; G289-F292 PolarHBondContact O-N 2.84Å; G289-F292 VanDerWaalsContact O-N 3.16Å; L290-F292 VanDerWaalsContact C-N 3.29Å; L290-F292 PolarHBondContact O-N 2.77Å
293	L	98.4	Very high	97.6	Very high	15 Å²	15	36.7 Å²	36.7	8%	0.079	19%	0.192	C	C	.	.	H	α-helix	trans	-86.2	-31.6	-173.8	-67.7	171.3	0	0	0	114.6	A91 I255 A256 A258 L261 G289 L290	A91-L293 HydrophobicContact CB-CD1 3.76Å; I255-L293 HydrophobicContact CG2-CD1 3.99Å; I255-L293 HydrophobicContact CG2-CD2 3.85Å; I255-L293 HydrophobicContact CG2-CG 4.07Å; A256-L293 WeakPolarHBondContact O-CD2 3.3Å; A258-L293 HydrophobicContact CB-CD2 4.08Å; L261-L293 HydrophobicContact CD2-CB 4.03Å; L261-L293 HydrophobicContact CD2-CD1 4.26Å; G289-L293 WeakPolarHBondContact O-CB 3.26Å; G289-L293 WeakPolarHBondContact O-CG 3.49Å; G289-L293 PolarHBondContact O-N 3.16Å; L290-L293 PolarHBondContact O-N 3.44Å
294	V	98.3	Very high	97.8	Very high	19 Å²	19	36.7 Å²	36.7	12%	0.115	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-43	-168.6	-179.7	0	0	0	0	111.9	L261 S262 L265 L290 W298 L301	L261-V294 HydrophobicContact CD2-CG2 3.91Å; L261-V294 HydrophobicContact CG-CG2 4.07Å; S262-V294 PolarHBondContact OG-O 3.46Å; L265-V294 HydrophobicContact CD1-CG1 4.37Å; L265-V294 HydrophobicContact CD1-CG2 3.85Å; L290-V294 HydrophobicContact CD2-CG2 4.27Å; L290-V294 WeakPolarHBondContact O-CA 3.44Å; L290-V294 VanDerWaalsContact O-CB 3.32Å; L290-V294 WeakPolarHBondContact O-CB 3.5Å; L290-V294 PolarHBondContact O-N 2.95Å; V294-W298 HydrophobicContact CB-CB 4.06Å; V294-W298 HydrophobicContact CG1-CB 4.03Å; V294-L301 HydrophobicContact CG1-CD1 3.6Å
295	G	97.7	Very high	97.9	Very high	26 Å²	26	35.1 Å²	35.1	27%	0.268	18%	0.179	S	C	.	.			trans	132	175.4	-179.4	0	0	0	0	0	113.2	L290 K291 D297 W298	L290-G295 PolarHBondContact O-N 3.37Å; K291-G295 WeakPolarHBondContact CA-O 3.12Å; K291-G295 WeakPolarHBondContact O-CA 3.48Å; K291-G295 PolarHBondContact O-N 2.84Å; G295-D297 PolarHBondContact O-N 3.47Å; G295-W298 WeakPolarHBondContact O-CB 3.38Å; G295-W298 PolarHBondContact O-N 3.06Å
296	N	97.6	Very high	98	Very high	123 Å²	123	34.7 Å²	34.7	66%	0.658	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-30.3	-173.9	-74.2	-34	0	0	0	114.1	W298	N296-W298 VanDerWaalsContact C-N 3.33Å; N296-W298 PolarHBondContact O-N 2.79Å
297	D	96.6	Very high	98	Very high	128 Å²	128	34.6 Å²	34.6	68%	0.684	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	17.9	-175.5	-53	-44.5	0	0	0	112.9	G295 Q299 E300	G295-D297 PolarHBondContact O-N 3.47Å; D297-Q299 PolarHBondContact O-N 2.56Å; D297-E300 WeakPolarHBondContact O-CB 2.97Å; D297-E300 PolarHBondContact O-N 3.46Å
298	W	98.4	Very high	97.9	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-53.3	-33.8	-176.3	73.7	-93	0	0	0	113.1	I286 D287 L290 V294 G295 N296 E300 L301 F302 I305	I286-W298 HydrophobicContact CG2-CH2 3.81Å; I286-W298 HydrophobicContact CG2-CZ2 4.28Å; I286-W298 HydrophobicContact CG2-CZ3 4.35Å; D287-W298 HydrophobicContact CB-CZ2 3.96Å; D287-W298 PolarHBondContact OD1-NE1 2.76Å; L290-W298 HydrophobicContact CB-CB 4.08Å; L290-W298 HydrophobicContact CB-CD2 3.54Å; L290-W298 HydrophobicContact CB-CE3 4.01Å; L290-W298 HydrophobicContact CB-CG 3.58Å; L290-W298 HydrophobicContact CD1-CD2 3.76Å; L290-W298 HydrophobicContact CD1-CE3 3.28Å; L290-W298 HydrophobicContact CD1-CH2 3.99Å; L290-W298 HydrophobicContact CD1-CZ2 4.41Å; L290-W298 HydrophobicContact CD1-CZ3 3.42Å; L290-W298 VanDerWaalsContact CD1-CZ3 3.42Å; L290-W298 HydrophobicContact CG-CD2 4.3Å; L290-W298 HydrophobicContact CG-CE3 4.28Å; V294-W298 HydrophobicContact CB-CB 4.06Å; V294-W298 HydrophobicContact CG1-CB 4.03Å; G295-W298 WeakPolarHBondContact O-CB 3.38Å; G295-W298 PolarHBondContact O-N 3.06Å; N296-W298 VanDerWaalsContact C-N 3.33Å; N296-W298 PolarHBondContact O-N 2.79Å; W298-E300 PolarHBondContact O-N 2.73Å; W298-L301 WeakPolarHBondContact O-CB 3.33Å; W298-L301 PolarHBondContact O-N 3Å; W298-L301 VanDerWaalsContact O-N 3.14Å; W298-F302 AromaticContact CE3-CD2 3.81Å; W298-F302 HydrophobicContact CE3-CD2 3.81Å; W298-F302 AromaticContact CE3-CE2 3.88Å; W298-F302 HydrophobicContact CE3-CE2 3.88Å; W298-F302 HydrophobicContact CZ3-CD2 4.05Å; W298-F302 HydrophobicContact CZ3-CE2 4.35Å; W298-F302 VanDerWaalsContact O-CD2 3.3Å; W298-F302 WeakPolarHBondContact O-CD2 3.49Å; W298-I305 HydrophobicContact CH2-CD1 3.89Å; W298-I305 HydrophobicContact CH2-CG2 4.08Å; W298-I305 HydrophobicContact CZ3-CD1 3.64Å; W298-I305 HydrophobicContact CZ3-CG1 4.17Å; W298-I305 HydrophobicContact CZ3-CG2 4.32Å
299	Q	98.2	Very high	97.7	Very high	37 Å²	37	36.2 Å²	36.2	17%	0.173	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-60.1	-36.4	-178.3	-64.5	-178.4	11.2	0	0	111.3	D287 D297 L301 F302 I305 G343	D287-Q299 PolarHBondContact OD1-NE2 2.81Å; D297-Q299 PolarHBondContact O-N 2.56Å; Q299-L301 PolarHBondContact O-N 3.32Å; Q299-L301 VanDerWaalsContact O-N 3.16Å; Q299-F302 PolarHBondContact O-N 2.95Å; Q299-F302 VanDerWaalsContact O-N 3.07Å; Q299-I305 HydrophobicContact CB-CD1 4.1Å; Q299-I305 HydrophobicContact CG-CD1 4.25Å; Q299-G343 VanDerWaalsContact O-CA 3.29Å; Q299-G343 WeakPolarHBondContact O-CA 3.37Å; Q299-G343 PolarHBondContact O-N 3.23Å; Q299-G343 PolarHBondContact OE1-O 3.44Å
300	E	98.1	Very high	97.3	Very high	108 Å²	108	41.5 Å²	41.5	51%	0.505	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-68.3	-14.3	-178.3	-62.4	-56	138.7	0	0	113.3	D297 W298 F302 R342	D297-E300 WeakPolarHBondContact O-CB 2.97Å; D297-E300 PolarHBondContact O-N 3.46Å; W298-E300 PolarHBondContact O-N 2.73Å; E300-F302 VanDerWaalsContact C-N 3.31Å; E300-R342 VanDerWaalsContact O-CD 3.24Å; E300-R342 WeakPolarHBondContact O-CD 3.14Å; E300-R342 WeakPolarHBondContact O-CG 3.14Å
301	L	98.7	Very high	97.1	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.052	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-75.6	-21.9	174.2	-58.6	175.5	0	0	0	112.5	L265 V269 L275 V294 W298 Q299	L265-L301 HydrophobicContact CB-CD1 3.88Å; L265-L301 HydrophobicContact CD1-CD1 4.19Å; V269-L301 HydrophobicContact CG2-CB 4.32Å; V269-L301 HydrophobicContact CG2-CD2 4.11Å; V269-L301 WeakPolarHBondContact CG2-O 3.09Å; L275-L301 WeakPolarHBondContact CB-O 3.45Å; L275-L301 HydrophobicContact CD1-CB 4.48Å; V294-L301 HydrophobicContact CG1-CD1 3.6Å; W298-L301 WeakPolarHBondContact O-CB 3.33Å; W298-L301 PolarHBondContact O-N 3Å; W298-L301 VanDerWaalsContact O-N 3.14Å; Q299-L301 PolarHBondContact O-N 3.32Å; Q299-L301 VanDerWaalsContact O-N 3.16Å
302	F	98.8	Very high	96.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.			trans	-109.3	126.8	-170.5	-63.2	-83.1	0	0	0	112.3	F84 L90 L265 L275 V277 L290 W298 Q299 E300 V304 I305 R342 G343	F84-F302 HydrophobicContact CD2-CE1 4.13Å; L90-F302 HydrophobicContact CD1-CZ 4.32Å; L265-F302 HydrophobicContact CD1-CE2 4.37Å; L265-F302 HydrophobicContact CD1-CZ 3.97Å; L265-F302 HydrophobicContact CD2-CZ 4.19Å; L275-F302 HydrophobicContact CB-CD1 3.57Å; L275-F302 HydrophobicContact CB-CE1 3.96Å; L275-F302 HydrophobicContact CB-CG 4.38Å; L275-F302 HydrophobicContact CD1-CE1 4.38Å; V277-F302 HydrophobicContact CG2-CD1 3.62Å; V277-F302 HydrophobicContact CG2-CE1 3.34Å; V277-F302 HydrophobicContact CG2-CE2 4.33Å; V277-F302 HydrophobicContact CG2-CG 4.22Å; V277-F302 HydrophobicContact CG2-CZ 3.74Å; L290-F302 HydrophobicContact CD1-CE2 4.47Å; W298-F302 AromaticContact CE3-CD2 3.81Å; W298-F302 HydrophobicContact CE3-CD2 3.81Å; W298-F302 AromaticContact CE3-CE2 3.88Å; W298-F302 HydrophobicContact CE3-CE2 3.88Å; W298-F302 HydrophobicContact CZ3-CD2 4.05Å; W298-F302 HydrophobicContact CZ3-CE2 4.35Å; W298-F302 VanDerWaalsContact O-CD2 3.3Å; W298-F302 WeakPolarHBondContact O-CD2 3.49Å; Q299-F302 PolarHBondContact O-N 2.95Å; Q299-F302 VanDerWaalsContact O-N 3.07Å; E300-F302 VanDerWaalsContact C-N 3.31Å; F302-V304 VanDerWaalsContact C-N 3.35Å; F302-I305 HydrophobicContact CB-CD1 4.09Å; F302-I305 HydrophobicContact CB-CG1 3.6Å; F302-I305 HydrophobicContact CG-CG1 4.33Å; F302-R342 WeakPolarHBondContact O-CA 3.35Å; F302-R342 WeakPolarHBondContact O-CG 3.47Å; F302-G343 PolarHBondContact O-N 3Å; F302-G343 VanDerWaalsContact O-N 3.09Å
303	D	98.7	Very high	96.5	Very high	19 Å²	19	40.7 Å²	40.7	10%	0.102	22%	0.216	C	C	.	.	S	Bend	trans	-74.3	-28	174.5	-62.5	-92.8	0	0	0	111.8	K274 L275 R342 W360	K274-D303 WeakPolarHBondContact CA-OD2 3.12Å; K274-D303 HydrophobicContact CD-CB 4.45Å; K274-D303 VanDerWaalsContact CD-CG 3.43Å; K274-D303 WeakPolarHBondContact CD-OD1 3.07Å; K274-D303 VanDerWaalsContact CD-OD2 3.25Å; K274-D303 WeakPolarHBondContact CD-OD2 3.27Å; K274-D303 IonicContact NZ-OD1 3.92Å; K274-D303 PolarHBondContact NZ-OD1 2.54Å; L275-D303 PolarHBondContact N-OD2 3.01Å; L275-D303 VanDerWaalsContact N-OD2 3.15Å; L275-D303 PolarHBondContact O-N 3.02Å; D303-R342 IonicContact OD1-CZ 3.85Å; D303-R342 IonicContact OD1-NE 3.56Å; D303-R342 PolarHBondContact OD1-NE 3.43Å; D303-R342 IonicContact OD1-NH2 2.65Å; D303-R342 PolarHBondContact OD1-NH2 2.74Å; D303-R342 IonicContact OD2-NH2 2.78Å; D303-R342 PolarHBondContact OD2-NH2 3.33Å; D303-R342 VanDerWaalsContact OD2-NH2 3.14Å; D303-W360 HydrophobicContact CB-CH2 4.45Å; D303-W360 HydrophobicContact CB-CZ2 4.2Å
304	V	98.5	Very high	96.3	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	125.2	178.1	-177.7	0	0	0	0	110.2	L275 F276 V277 F302 I306 F340 M354 T358 W360	L275-V304 PolarHBondContact O-N 3.02Å; F276-V304 CarbonylContact C-O 3.58Å; F276-V304 WeakPolarHBondContact CA-O 3.14Å; F276-V304 HydrophobicContact CB-CB 3.84Å; F276-V304 WeakPolarHBondContact CB-O 3.35Å; V277-V304 PolarHBondContact N-O 2.78Å; F302-V304 VanDerWaalsContact C-N 3.35Å; V304-I306 HydrophobicContact CG1-CD1 3.74Å; V304-I306 HydrophobicContact CG1-CG1 3.82Å; V304-F340 HydrophobicContact CB-CG 4.49Å; V304-F340 HydrophobicContact CG1-CD1 4.06Å; V304-F340 HydrophobicContact CG1-CD2 4.23Å; V304-F340 HydrophobicContact CG1-CE1 4.05Å; V304-F340 HydrophobicContact CG1-CE2 4.2Å; V304-F340 HydrophobicContact CG1-CG 4.14Å; V304-F340 HydrophobicContact CG1-CZ 4.1Å; V304-F340 HydrophobicContact CG2-CB 3.78Å; V304-F340 HydrophobicContact CG2-CD1 4.41Å; V304-F340 HydrophobicContact CG2-CD2 3.66Å; V304-F340 HydrophobicContact CG2-CE2 4.29Å; V304-F340 HydrophobicContact CG2-CG 3.71Å; V304-M354 HydrophobicContact CG1-CE 4.41Å; V304-T358 HydrophobicContact CG2-CG2 3.92Å; V304-W360 HydrophobicContact CB-CH2 4.37Å; V304-W360 HydrophobicContact CG2-CH2 3.71Å; V304-W360 HydrophobicContact CG2-CZ2 4.32Å; V304-W360 HydrophobicContact CG2-CZ3 4.38Å
305	I	98.5	Very high	96	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	113.3	175.2	-56.5	163.5	0	0	0	108.3	W298 Q299 F302 I345 Y346	W298-I305 HydrophobicContact CH2-CD1 3.89Å; W298-I305 HydrophobicContact CH2-CG2 4.08Å; W298-I305 HydrophobicContact CZ3-CD1 3.64Å; W298-I305 HydrophobicContact CZ3-CG1 4.17Å; W298-I305 HydrophobicContact CZ3-CG2 4.32Å; Q299-I305 HydrophobicContact CB-CD1 4.1Å; Q299-I305 HydrophobicContact CG-CD1 4.25Å; F302-I305 HydrophobicContact CB-CD1 4.09Å; F302-I305 HydrophobicContact CB-CG1 3.6Å; F302-I305 HydrophobicContact CG-CG1 4.33Å; I305-I345 HydrophobicContact CB-CG1 4.39Å; I305-I345 HydrophobicContact CD1-CG1 4.35Å; I305-I345 HydrophobicContact CG2-CG1 4.15Å; I305-I345 HydrophobicContact CG2-CG2 4.28Å; I305-Y346 PolarHBondContact O-N 2.68Å
306	I	98.1	Very high	95.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.4	179.1	-61.1	159.3	0	0	0	109	V277 I278 S279 V304 A309 F314 F322 Y346 M354	V277-I306 PolarHBondContact O-N 3.26Å; I278-I306 HydrophobicContact CG1-CB 4.4Å; I278-I306 HydrophobicContact CG1-CD1 4.03Å; S279-I306 PolarHBondContact N-O 2.84Å; V304-I306 HydrophobicContact CG1-CD1 3.74Å; V304-I306 HydrophobicContact CG1-CG1 3.82Å; I306-A309 HydrophobicContact CG2-CB 3.96Å; I306-F314 HydrophobicContact CD1-CE2 4.31Å; I306-F314 HydrophobicContact CD1-CZ 3.84Å; I306-F314 HydrophobicContact CG2-CE2 4.11Å; I306-F322 HydrophobicContact CD1-CE1 3.47Å; I306-F322 VanDerWaalsContact CD1-CE1 3.47Å; I306-F322 HydrophobicContact CD1-CZ 3.73Å; I306-F322 HydrophobicContact CG1-CD1 4.32Å; I306-F322 HydrophobicContact CG1-CE1 3.65Å; I306-F322 HydrophobicContact CG1-CZ 4.39Å; I306-F322 HydrophobicContact CG2-CE1 4.01Å; I306-Y346 WeakPolarHBondContact CA-O 3.16Å; I306-M354 HydrophobicContact CD1-CG 4.36Å; I306-M354 HydrophobicContact CD1-SD 3.79Å
307	S	96.6	Very high	95.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	160.1	172.2	66	0	0	0	0	110.4	S279 S281 A309 Y346 E347	S279-S307 CarbonylContact O-C 3.59Å; S281-S307 WeakPolarHBondContact O-CB 3.36Å; S307-A309 PolarHBondContact O-N 3.49Å; S307-A309 VanDerWaalsContact O-N 3.14Å; S307-Y346 PolarHBondContact N-O 2.79Å; S307-Y346 PolarHBondContact OG-O 3.28Å; S307-E347 WeakPolarHBondContact O-CA 3.28Å; S307-E347 WeakPolarHBondContact OG-CG 3.48Å
308	R	94.3	Very high	94.5	Very high	138 Å²	138	38.1 Å²	38.1	52%	0.521	20%	0.196	S	C	.	.	S	Bend	trans	47.6	40.5	-176.5	-56.9	-171.7	178.1	-83.9	4.1	114.3	S279 S281 N310 E347	S279-R308 PolarHBondContact O-N 3.46Å; S281-R308 PolarHBondContact O-N 3.43Å; R308-N310 PolarHBondContact O-N 2.97Å; R308-E347 HydrophobicContact CB-CG 4.42Å; R308-E347 WeakPolarHBondContact CD-OE1 3.44Å; R308-E347 IonicContact NE-OE1 2.68Å; R308-E347 PolarHBondContact NE-OE1 2.98Å
309	A	93.3	Very high	93.7	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.017	23%	0.233	C	C	.	.			trans	-59.2	-21.2	-174.1	0	0	0	0	0	114.5	I278 S279 I306 S307 K311 F314	I278-A309 HydrophobicContact CG2-CB 3.47Å; I278-A309 VanDerWaalsContact CG2-CB 3.47Å; S279-A309 WeakPolarHBondContact O-CB 3.39Å; S279-A309 PolarHBondContact O-N 3.31Å; I306-A309 HydrophobicContact CG2-CB 3.96Å; S307-A309 PolarHBondContact O-N 3.49Å; S307-A309 VanDerWaalsContact O-N 3.14Å; A309-K311 HydrophobicContact CB-CG 4.08Å; A309-F314 HydrophobicContact CB-CB 4.27Å; A309-F314 HydrophobicContact CB-CD2 3.83Å; A309-F314 HydrophobicContact CB-CE2 4.44Å; A309-F314 HydrophobicContact CB-CG 4.03Å; A309-F314 VanDerWaalsContact O-CB 3.28Å; A309-F314 WeakPolarHBondContact O-CB 3.21Å; A309-F314 WeakPolarHBondContact O-CD2 3.44Å
310	N	90.8	Very high	93.1	Very high	112 Å²	112	44.5 Å²	44.5	60%	0.599	24%	0.236	S	C	*	.			trans	62.3	38.8	-174.8	-166.5	32.6	0	0	0	113	N280 R308 S313 F314	N280-N310 VanDerWaalsContact OD1-CA 3.32Å; N280-N310 WeakPolarHBondContact OD1-CA 3.44Å; N280-N310 PolarHBondContact OD1-N 2.92Å; R308-N310 PolarHBondContact O-N 2.97Å; N310-S313 WeakPolarHBondContact O-CA 3.45Å; N310-S313 WeakPolarHBondContact O-CB 3.43Å; N310-S313 PolarHBondContact O-N 2.87Å; N310-F314 PolarHBondContact O-N 3.34Å
311	K	93.4	Very high	92.8	Very high	15 Å²	15	45.8 Å²	45.8	7%	0.065	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	142.7	169.9	-58.4	-178.5	-63.7	177.7	0	110.4	D85 I278 N280 A309 S313 F314 F315 D375	D85-K311 IonicContact OD1-NZ 2.91Å; D85-K311 PolarHBondContact OD1-NZ 3.34Å; D85-K311 IonicContact OD2-NZ 3.48Å; D85-K311 PolarHBondContact OD2-NZ 3.22Å; I278-K311 HydrophobicContact CG2-CD 4.09Å; I278-K311 HydrophobicContact CG2-CG 4.3Å; N280-K311 PolarHBondContact ND2-O 2.83Å; N280-K311 PolarHBondContact OD1-N 3.01Å; A309-K311 HydrophobicContact CB-CG 4.08Å; K311-S313 VanDerWaalsContact C-N 3.35Å; K311-F314 HydrophobicContact CG-CB 4.2Å; K311-F315 HydrophobicContact CB-CE2 4.34Å; K311-F315 HydrophobicContact CD-CE2 3.74Å; K311-F315 HydrophobicContact CD-CZ 4.06Å; K311-F315 HydrophobicContact CG-CD2 4.47Å; K311-F315 HydrophobicContact CG-CE2 3.78Å; K311-F315 HydrophobicContact CG-CZ 4.28Å; K311-D375 WeakPolarHBondContact CD-OD1 3.48Å; K311-D375 WeakPolarHBondContact CE-OD1 3.38Å; K311-D375 IonicContact NZ-OD1 3.72Å; K311-D375 PolarHBondContact NZ-OD1 3.27Å
312	P	91.3	Very high	92.6	Very high	47 Å²	47	45.5 Å²	45.5	31%	0.305	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	cis	-80.5	-5.9	1.5	31.2	-35	0	0	0	114.3	F314 F315 K316	P312-F314 PolarHBondContact O-N 3.02Å; P312-F315 PolarHBondContact O-N 3.17Å; P312-K316 PolarHBondContact O-N 3.32Å
313	S	91.9	Very high	92.4	Very high	52 Å²	52	51.5 Å²	51.5	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-30.2	-176.8	-51	0	0	0	0	112.6	N310 K311 F315 K316 S317	N310-S313 WeakPolarHBondContact O-CA 3.45Å; N310-S313 WeakPolarHBondContact O-CB 3.43Å; N310-S313 PolarHBondContact O-N 2.87Å; K311-S313 VanDerWaalsContact C-N 3.35Å; S313-F315 PolarHBondContact O-N 3.08Å; S313-K316 PolarHBondContact O-N 3.2Å; S313-K316 VanDerWaalsContact O-N 3.12Å; S313-S317 WeakPolarHBondContact O-CB 3.27Å; S313-S317 PolarHBondContact O-N 3.42Å
314	F	94.1	Very high	92.3	Very high	3 Å²	3	53.5 Å²	53.5	1%	0.013	27%	0.27	C	S	.	.	H	α-helix	trans	-49.1	-40.3	171.5	-171.5	-96.8	0	0	0	113.4	I278 I306 A309 N310 K311 P312 F322 G348 L351 M354	I278-F314 HydrophobicContact CD1-CD1 4.38Å; I278-F314 HydrophobicContact CD1-CE1 3.69Å; I278-F314 HydrophobicContact CD1-CZ 4.29Å; I278-F314 HydrophobicContact CG1-CE1 4.36Å; I278-F314 HydrophobicContact CG2-CD1 4.01Å; I278-F314 HydrophobicContact CG2-CE1 4.08Å; I278-F314 HydrophobicContact CG2-CG 4.38Å; I278-F314 HydrophobicContact CG2-CZ 4.46Å; I306-F314 HydrophobicContact CD1-CE2 4.31Å; I306-F314 HydrophobicContact CD1-CZ 3.84Å; I306-F314 HydrophobicContact CG2-CE2 4.11Å; A309-F314 HydrophobicContact CB-CB 4.27Å; A309-F314 HydrophobicContact CB-CD2 3.83Å; A309-F314 HydrophobicContact CB-CE2 4.44Å; A309-F314 HydrophobicContact CB-CG 4.03Å; A309-F314 VanDerWaalsContact O-CB 3.28Å; A309-F314 WeakPolarHBondContact O-CB 3.21Å; A309-F314 WeakPolarHBondContact O-CD2 3.44Å; N310-F314 PolarHBondContact O-N 3.34Å; K311-F314 HydrophobicContact CG-CB 4.2Å; P312-F314 PolarHBondContact O-N 3.02Å; F314-F322 AromaticContact CE2-CE1 3.88Å; F314-F322 HydrophobicContact CE2-CE1 3.88Å; F314-F322 AromaticContact CE2-CZ 3.86Å; F314-F322 HydrophobicContact CE2-CZ 3.86Å; F314-F322 HydrophobicContact CZ-CE1 4.24Å; F314-F322 AromaticContact CZ-CZ 3.9Å; F314-F322 HydrophobicContact CZ-CZ 3.9Å; F314-G348 WeakPolarHBondContact CE2-O 3.47Å; F314-L351 HydrophobicContact CD1-CB 4.23Å; F314-L351 HydrophobicContact CE1-CB 3.92Å; F314-L351 HydrophobicContact CE1-CD1 4.44Å; F314-L351 PolarHBondContact O-N 3.44Å; F314-M354 HydrophobicContact CZ-SD 4.48Å
315	F	92.5	Very high	92.1	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.009	27%	0.27	C	S	.	.	H	α-helix	trans	-88.2	-22	-177.4	-56.6	-58.1	0	0	0	112.9	I278 K311 P312 S313 L351 Y367 A374 D378 V379 Y383	I278-F315 HydrophobicContact CD1-CE1 4.09Å; I278-F315 HydrophobicContact CD1-CZ 4.42Å; I278-F315 HydrophobicContact CG2-CZ 4.35Å; K311-F315 HydrophobicContact CB-CE2 4.34Å; K311-F315 HydrophobicContact CD-CE2 3.74Å; K311-F315 HydrophobicContact CD-CZ 4.06Å; K311-F315 HydrophobicContact CG-CD2 4.47Å; K311-F315 HydrophobicContact CG-CE2 3.78Å; K311-F315 HydrophobicContact CG-CZ 4.28Å; P312-F315 PolarHBondContact O-N 3.17Å; S313-F315 PolarHBondContact O-N 3.08Å; F315-L351 HydrophobicContact CD1-CB 4.04Å; F315-L351 HydrophobicContact CD1-CD2 3.73Å; F315-L351 HydrophobicContact CD1-CG 4.34Å; F315-L351 HydrophobicContact CE1-CD2 4.43Å; F315-Y367 AromaticContact CZ-CE1 3.95Å; F315-Y367 HydrophobicContact CZ-CE1 3.95Å; F315-A374 WeakPolarHBondContact CD2-O 3.36Å; F315-A374 WeakPolarHBondContact CE2-O 3.33Å; F315-D378 HydrophobicContact CB-CB 3.88Å; F315-V379 HydrophobicContact CB-CG2 4.31Å; F315-V379 HydrophobicContact CD1-CG2 3.41Å; F315-V379 VanDerWaalsContact CD1-CG2 3.41Å; F315-V379 HydrophobicContact CD2-CG2 3.92Å; F315-V379 HydrophobicContact CE1-CG2 3.53Å; F315-V379 HydrophobicContact CE2-CG2 4.04Å; F315-V379 HydrophobicContact CG-CG2 3.62Å; F315-V379 HydrophobicContact CZ-CG2 3.86Å; F315-Y383 VanDerWaalsContact O-CE2 3.29Å; F315-Y383 WeakPolarHBondContact O-CE2 3.42Å; F315-Y383 PolarHBondContact O-OH 3.14Å
316	K	88.6	Confident	91.9	Very high	128 Å²	128	55.9 Å²	55.9	56%	0.557	28%	0.282	S	S	*	.	H	α-helix	trans	-97.9	-37.2	-174.1	-64.8	-177	-178	-177.5	0	114.6	P312 S313 D378	P312-K316 PolarHBondContact O-N 3.32Å; S313-K316 PolarHBondContact O-N 3.2Å; S313-K316 VanDerWaalsContact O-N 3.12Å; K316-D378 WeakPolarHBondContact CE-OD1 3.49Å; K316-D378 WeakPolarHBondContact CE-OD2 3.48Å; K316-D378 HydrophobicContact CG-CB 4.49Å; K316-D378 IonicContact NZ-OD1 2.66Å; K316-D378 IonicContact NZ-OD2 2.98Å
317	S	88	Confident	91.7	Very high	50 Å²	50	58.7 Å²	58.7	35%	0.35	30%	0.297	S	S	.	.			trans	-101	119.5	-169.7	-177.3	0	0	0	0	110.4	S313 L319 C350	S313-S317 WeakPolarHBondContact O-CB 3.27Å; S313-S317 PolarHBondContact O-N 3.42Å; S317-L319 PolarHBondContact O-N 3.22Å; S317-C350 WeakPolarHBondContact O-CB 3.25Å
318	P	83.9	Confident	91.4	Very high	73 Å²	73	62.8 Å²	62.8	47%	0.474	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.6	-177.1	34	-37.5	0	0	0	113.5	C350 E352	P318-C350 PolarHBondContact O-SG 3.11Å; P318-C350 VanDerWaalsContact O-SG 3.38Å; P318-E352 WeakPolarHBondContact CB-OE2 3.49Å
319	L	82.1	Confident	91.1	Very high	149 Å²	149	57.2 Å²	57.2	78%	0.78	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-6.6	-169	-61	177.6	0	0	0	114.8	S317	S317-L319 PolarHBondContact O-N 3.22Å
320	G	85.5	Confident	91	Very high	23 Å²	23	61.1 Å²	61.1	24%	0.237	34%	0.335	C	S	.	.			trans	-68.7	139.3	-179.5	0	0	0	0	0	111.8
321	Q	90.8	Very high	90.9	Very high	136 Å²	136	59.8 Å²	59.8	64%	0.636	32%	0.324	S	S	*	.			trans	-116.8	139.3	170.1	-72.3	-173.4	3.7	0	0	111	G349 E353	Q321-G349 VanDerWaalsContact C-N 3.33Å; Q321-G349 PolarHBondContact O-N 3.43Å; Q321-E353 WeakPolarHBondContact CA-OE2 3.44Å
322	F	95.4	Very high	90.6	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.018	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	144.1	175.6	-67.4	-71.8	0	0	0	112.7	I306 F314 V337 F340 E347 G348 E353 M354 L357	I306-F322 HydrophobicContact CD1-CE1 3.47Å; I306-F322 VanDerWaalsContact CD1-CE1 3.47Å; I306-F322 HydrophobicContact CD1-CZ 3.73Å; I306-F322 HydrophobicContact CG1-CD1 4.32Å; I306-F322 HydrophobicContact CG1-CE1 3.65Å; I306-F322 HydrophobicContact CG1-CZ 4.39Å; I306-F322 HydrophobicContact CG2-CE1 4.01Å; F314-F322 AromaticContact CE2-CE1 3.88Å; F314-F322 HydrophobicContact CE2-CE1 3.88Å; F314-F322 AromaticContact CE2-CZ 3.86Å; F314-F322 HydrophobicContact CE2-CZ 3.86Å; F314-F322 HydrophobicContact CZ-CE1 4.24Å; F314-F322 AromaticContact CZ-CZ 3.9Å; F314-F322 HydrophobicContact CZ-CZ 3.9Å; F322-V337 HydrophobicContact CB-CB 4.02Å; F322-V337 HydrophobicContact CB-CG2 3.92Å; F322-V337 WeakPolarHBondContact O-CG2 3.45Å; F322-F340 HydrophobicContact CD1-CE1 4.3Å; F322-F340 HydrophobicContact CD1-CZ 4.34Å; F322-F340 HydrophobicContact CD2-CE1 4.04Å; F322-F340 AromaticContact CD2-CZ 3.58Å; F322-F340 HydrophobicContact CD2-CZ 3.58Å; F322-F340 HydrophobicContact CE1-CZ 4.28Å; F322-F340 HydrophobicContact CE2-CE1 4.37Å; F322-F340 HydrophobicContact CE2-CE2 4.45Å; F322-F340 AromaticContact CE2-CZ 3.55Å; F322-F340 HydrophobicContact CE2-CZ 3.55Å; F322-F340 HydrophobicContact CG-CE1 4.04Å; F322-F340 HydrophobicContact CG-CZ 4.02Å; F322-F340 AromaticContact CZ-CZ 3.92Å; F322-F340 HydrophobicContact CZ-CZ 3.92Å; F322-E347 WeakPolarHBondContact CA-O 3.32Å; F322-G348 VanDerWaalsContact CE1-O 3.3Å; F322-G348 WeakPolarHBondContact CE1-O 3.24Å; F322-E353 HydrophobicContact CD2-CB 4.4Å; F322-E353 HydrophobicContact CD2-CG 3.93Å; F322-E353 WeakPolarHBondContact CD2-OE2 3.35Å; F322-E353 HydrophobicContact CE2-CB 3.97Å; F322-E353 HydrophobicContact CE2-CG 3.98Å; F322-E353 WeakPolarHBondContact CE2-OE2 3.15Å; F322-E353 PolarHBondContact N-OE2 3.35Å; F322-M354 HydrophobicContact CE2-CB 4.06Å; F322-M354 HydrophobicContact CZ-CB 3.94Å; F322-L357 HydrophobicContact CD2-CD1 3.88Å; F322-L357 HydrophobicContact CE2-CD1 4.38Å
323	R	94.4	Very high	90.2	Very high	125 Å²	125	65.6 Å²	65.6	47%	0.472	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	139.5	164	-68	-175.3	179.3	175.8	0.4	110.3	F331 Y346 E347	R323-F331 HydrophobicContact CB-CD1 3.72Å; R323-F331 HydrophobicContact CB-CE1 3.82Å; R323-F331 HydrophobicContact CG-CD1 4.4Å; R323-F331 HydrophobicContact CG-CE1 4.37Å; R323-F331 VanDerWaalsContact NH1-CE2 3.35Å; R323-Y346 CarbonylContact O-C 3.52Å; R323-Y346 VanDerWaalsContact O-CA 3.24Å; R323-Y346 WeakPolarHBondContact O-CA 3.34Å; R323-E347 PolarHBondContact N-O 3.31Å; R323-E347 PolarHBondContact O-N 3.36Å
324	R	95.6	Very high	89.8	Confident	62 Å²	62	74.5 Å²	74.5	23%	0.234	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	132.7	173.9	-175.1	172	67.4	164.4	2.6	110.4	F331 K332 D333 Q344 Y346	R324-F331 WeakPolarHBondContact O-CA 3.43Å; R324-K332 HydrophobicContact CG-CB 4.31Å; R324-K332 HydrophobicContact CG-CD 4.29Å; R324-K332 PolarHBondContact O-N 3.28Å; R324-D333 IonicContact CZ-OD1 2.71Å; R324-D333 IonicContact CZ-OD2 2.85Å; R324-D333 IonicContact NE-OD2 3.44Å; R324-D333 PolarHBondContact NE-OD2 3.32Å; R324-D333 IonicContact NH2-OD1 3.63Å; R324-D333 PolarHBondContact NH2-OD1 3.44Å; R324-D333 IonicContact NH2-OD2 3.28Å; R324-D333 PolarHBondContact NH2-OD2 3.1Å; R324-Q344 VanDerWaalsContact NH1-OE1 3.11Å; R324-Y346 HydrophobicContact CB-CD1 4.18Å; R324-Y346 HydrophobicContact CB-CE1 4.09Å; R324-Y346 HydrophobicContact CG-CE1 4.28Å
325	T	95	Very high	89.5	Confident	2 Å²	2	82.4 Å²	82.4	1%	0.012	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	165.1	177.3	63.9	0	0	0	0	112	T330 F331 I345 E347	T325-T330 CarbonylContact C-O 3.03Å; T325-T330 VanDerWaalsContact CA-O 3.23Å; T325-T330 WeakPolarHBondContact CA-O 3.15Å; T325-F331 HydrophobicContact CG2-CD1 3.65Å; T325-F331 HydrophobicContact CG2-CE1 3.86Å; T325-I345 PolarHBondContact N-O 3.03Å; T325-E347 HydrophobicContact CG2-CB 4.03Å; T325-E347 HydrophobicContact CG2-CG 3.75Å
326	D	93.9	Very high	89.4	Confident	50 Å²	50	84.5 Å²	84.5	27%	0.267	43%	0.428	S	S	.	.			trans	-87.2	-177.3	155.3	66.5	22.2	0	0	0	111.5	S328 G329 T330	D326-S328 VanDerWaalsContact CG-OG 3.27Å; D326-S328 PolarHBondContact O-N 2.78Å; D326-S328 VanDerWaalsContact OD1-CA 3.31Å; D326-S328 WeakPolarHBondContact OD1-CA 3.34Å; D326-S328 VanDerWaalsContact OD1-CB 3.31Å; D326-S328 WeakPolarHBondContact OD1-CB 3.37Å; D326-S328 PolarHBondContact OD1-N 3.08Å; D326-S328 PolarHBondContact OD1-OG 3.14Å; D326-S328 PolarHBondContact OD2-OG 3.3Å; D326-G329 PolarHBondContact O-N 3.48Å; D326-G329 PolarHBondContact OD1-N 3.35Å; D326-G329 VanDerWaalsContact OD1-N 3.12Å; D326-T330 PolarHBondContact N-O 2.88Å; D326-T330 PolarHBondContact OD1-N 3.17Å
327	I	93.3	Very high	89.7	Confident	59 Å²	59	79.2 Å²	79.2	30%	0.303	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.7	178.9	-62.1	167.4	0	0	0	111.7	A284 D287 G329 I345	A284-I327 WeakPolarHBondContact CA-O 3.27Å; A284-I327 HydrophobicContact CB-CG2 4.4Å; A284-I327 WeakPolarHBondContact CB-O 3.27Å; A284-I327 PolarHBondContact N-O 2.89Å; D287-I327 HydrophobicContact CB-CG2 3.8Å; I327-G329 PolarHBondContact O-N 3.38Å; I327-I345 HydrophobicContact CG1-CD1 3.96Å
328	S	90.9	Very high	89.9	Confident	86 Å²	86	83.5 Å²	83.5	60%	0.601	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-10	176.4	78	0	0	0	0	113.2	D326 T330	D326-S328 VanDerWaalsContact CG-OG 3.27Å; D326-S328 PolarHBondContact O-N 2.78Å; D326-S328 VanDerWaalsContact OD1-CA 3.31Å; D326-S328 WeakPolarHBondContact OD1-CA 3.34Å; D326-S328 VanDerWaalsContact OD1-CB 3.31Å; D326-S328 WeakPolarHBondContact OD1-CB 3.37Å; D326-S328 PolarHBondContact OD1-N 3.08Å; D326-S328 PolarHBondContact OD1-OG 3.14Å; D326-S328 PolarHBondContact OD2-OG 3.3Å; S328-T330 VanDerWaalsContact C-N 3.35Å; S328-T330 PolarHBondContact OG-N 3.39Å; S328-T330 PolarHBondContact OG-OG1 3.45Å
329	G	87.5	Confident	90.5	Very high	22 Å²	22	84 Å²	84	23%	0.227	42%	0.423	C	S	.	.			trans	84.4	8.7	-172.2	0	0	0	0	0	113.2	D326 I327	D326-G329 PolarHBondContact O-N 3.48Å; D326-G329 PolarHBondContact OD1-N 3.35Å; D326-G329 VanDerWaalsContact OD1-N 3.12Å; I327-G329 PolarHBondContact O-N 3.38Å
330	T	91.5	Very high	91.2	Very high	83 Å²	83	78.4 Å²	78.4	51%	0.509	39%	0.392	S	S	.	.			trans	-74.5	128.8	177.1	-59.2	0	0	0	0	109.5	T325 D326 S328 K332	T325-T330 CarbonylContact C-O 3.03Å; T325-T330 VanDerWaalsContact CA-O 3.23Å; T325-T330 WeakPolarHBondContact CA-O 3.15Å; D326-T330 PolarHBondContact N-O 2.88Å; D326-T330 PolarHBondContact OD1-N 3.17Å; S328-T330 VanDerWaalsContact C-N 3.35Å; S328-T330 PolarHBondContact OG-N 3.39Å; S328-T330 PolarHBondContact OG-OG1 3.45Å; T330-K332 PolarHBondContact O-N 3.08Å
331	F	89.5	Confident	91.7	Very high	85 Å²	85	82.7 Å²	82.7	37%	0.373	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-65.4	128.5	177.2	-60	-50	0	0	0	110.7	R323 R324 T325	R323-F331 HydrophobicContact CB-CD1 3.72Å; R323-F331 HydrophobicContact CB-CE1 3.82Å; R323-F331 HydrophobicContact CG-CD1 4.4Å; R323-F331 HydrophobicContact CG-CE1 4.37Å; R323-F331 VanDerWaalsContact NH1-CE2 3.35Å; R324-F331 WeakPolarHBondContact O-CA 3.43Å; T325-F331 HydrophobicContact CG2-CD1 3.65Å; T325-F331 HydrophobicContact CG2-CE1 3.86Å
332	K	86.2	Confident	92	Very high	120 Å²	120	80.9 Å²	80.9	52%	0.522	39%	0.391	S	S	.	.			trans	-84.5	-30.6	-179.8	-71	-168.7	176.2	-179.3	0	113.1	R324 T330	R324-K332 HydrophobicContact CG-CB 4.31Å; R324-K332 HydrophobicContact CG-CD 4.29Å; R324-K332 PolarHBondContact O-N 3.28Å; T330-K332 PolarHBondContact O-N 3.08Å
333	D	83.4	Confident	92.1	Very high	64 Å²	64	81.1 Å²	81.1	34%	0.342	40%	0.395	S	S	.	.			trans	-144.1	154.9	-176.6	-38	-86.3	0	0	0	110.5	R324	R324-D333 IonicContact CZ-OD1 2.71Å; R324-D333 IonicContact CZ-OD2 2.85Å; R324-D333 IonicContact NE-OD2 3.44Å; R324-D333 PolarHBondContact NE-OD2 3.32Å; R324-D333 IonicContact NH2-OD1 3.63Å; R324-D333 PolarHBondContact NH2-OD1 3.44Å; R324-D333 IonicContact NH2-OD2 3.28Å; R324-D333 PolarHBondContact NH2-OD2 3.1Å
334	W	84.5	Confident	92.2	Very high	239 Å²	239	77.6 Å²	77.6	91%	0.905	38%	0.383	S	S	*	.	S	Bend	trans	-89.4	-17.3	173.8	-65.1	102.1	0	0	0	113
335	E	87.3	Confident	92.3	Very high	169 Å²	169	74.9 Å²	74.9	79%	0.79	37%	0.374	S	S	*	.	S	Bend	trans	-73.4	149.5	-178.7	-64.3	-175	167.5	0	0	111.8
336	A	89.7	Confident	92.4	Very high	46 Å²	46	75 Å²	75	38%	0.38	37%	0.374	S	S	.	.			trans	-64.6	137.2	173.4	0	0	0	0	0	110.6	Q338	A336-Q338 PolarHBondContact O-N 3.26Å; A336-Q338 VanDerWaalsContact O-N 3.14Å; A336-Q338 PolarHBondContact O-NE2 3.46Å; A336-Q338 VanDerWaalsContact O-NE2 3.16Å
337	V	94.5	Very high	92.5	Very high	16 Å²	16	73.8 Å²	73.8	10%	0.097	37%	0.367	C	S	.	.			trans	-64.8	114.1	178.6	176.4	0	0	0	0	109.7	F322 F340 Y346 L357	F322-V337 HydrophobicContact CB-CB 4.02Å; F322-V337 HydrophobicContact CB-CG2 3.92Å; F322-V337 WeakPolarHBondContact O-CG2 3.45Å; V337-F340 HydrophobicContact CG1-CD1 4.36Å; V337-F340 HydrophobicContact CG1-CE1 4.38Å; V337-Y346 HydrophobicContact CB-CE1 4.45Å; V337-Y346 HydrophobicContact CG1-CD1 4.01Å; V337-Y346 HydrophobicContact CG1-CE1 3.61Å; V337-Y346 HydrophobicContact CG2-CD1 3.82Å; V337-Y346 HydrophobicContact CG2-CE1 3.92Å; V337-L357 HydrophobicContact CG1-CD1 4.26Å
338	Q	93.6	Very high	92.3	Very high	141 Å²	141	72.3 Å²	72.3	66%	0.659	37%	0.366	S	S	*	.			trans	-92.2	-22	178.6	-59.1	-55.3	-41.8	0	0	113.6	A336 L357	A336-Q338 PolarHBondContact O-N 3.26Å; A336-Q338 VanDerWaalsContact O-N 3.14Å; A336-Q338 PolarHBondContact O-NE2 3.46Å; A336-Q338 VanDerWaalsContact O-NE2 3.16Å; Q338-L357 VanDerWaalsContact O-CD2 3.25Å; Q338-L357 WeakPolarHBondContact O-CD2 3.45Å
339	T	95.3	Very high	92.4	Very high	83 Å²	83	68.7 Å²	68.7	51%	0.509	34%	0.342	S	S	.	.	S	Bend	trans	-153.2	144	-179.6	60.3	0	0	0	0	109.9
340	F	97.3	Very high	92.8	Very high	31 Å²	31	67.7 Å²	67.7	14%	0.136	33%	0.332	C	S	.	.			trans	-79.9	144.8	165.7	-63.7	-62.3	0	0	0	111.7	V304 F322 V337 Y346 M354 L357 T358	V304-F340 HydrophobicContact CB-CG 4.49Å; V304-F340 HydrophobicContact CG1-CD1 4.06Å; V304-F340 HydrophobicContact CG1-CD2 4.23Å; V304-F340 HydrophobicContact CG1-CE1 4.05Å; V304-F340 HydrophobicContact CG1-CE2 4.2Å; V304-F340 HydrophobicContact CG1-CG 4.14Å; V304-F340 HydrophobicContact CG1-CZ 4.1Å; V304-F340 HydrophobicContact CG2-CB 3.78Å; V304-F340 HydrophobicContact CG2-CD1 4.41Å; V304-F340 HydrophobicContact CG2-CD2 3.66Å; V304-F340 HydrophobicContact CG2-CE2 4.29Å; V304-F340 HydrophobicContact CG2-CG 3.71Å; F322-F340 HydrophobicContact CD1-CE1 4.3Å; F322-F340 HydrophobicContact CD1-CZ 4.34Å; F322-F340 HydrophobicContact CD2-CE1 4.04Å; F322-F340 AromaticContact CD2-CZ 3.58Å; F322-F340 HydrophobicContact CD2-CZ 3.58Å; F322-F340 HydrophobicContact CE1-CZ 4.28Å; F322-F340 HydrophobicContact CE2-CE1 4.37Å; F322-F340 HydrophobicContact CE2-CE2 4.45Å; F322-F340 AromaticContact CE2-CZ 3.55Å; F322-F340 HydrophobicContact CE2-CZ 3.55Å; F322-F340 HydrophobicContact CG-CE1 4.04Å; F322-F340 HydrophobicContact CG-CZ 4.02Å; F322-F340 AromaticContact CZ-CZ 3.92Å; F322-F340 HydrophobicContact CZ-CZ 3.92Å; V337-F340 HydrophobicContact CG1-CD1 4.36Å; V337-F340 HydrophobicContact CG1-CE1 4.38Å; F340-Y346 WeakPolarHBondContact CA-OH 3.39Å; F340-Y346 HydrophobicContact CB-CE2 4.43Å; F340-Y346 HydrophobicContact CD1-CD1 4.09Å; F340-Y346 AromaticContact CD1-CD2 3.6Å; F340-Y346 HydrophobicContact CD1-CD2 3.6Å; F340-Y346 AromaticContact CD1-CE1 3.95Å; F340-Y346 HydrophobicContact CD1-CE1 3.95Å; F340-Y346 AromaticContact CD1-CE2 3.48Å; F340-Y346 HydrophobicContact CD1-CE2 3.48Å; F340-Y346 VanDerWaalsContact CD1-CE2 3.48Å; F340-Y346 AromaticContact CD1-CG 3.91Å; F340-Y346 HydrophobicContact CD1-CG 3.91Å; F340-Y346 AromaticContact CD1-CZ 3.64Å; F340-Y346 HydrophobicContact CE1-CD1 4.07Å; F340-Y346 AromaticContact CE1-CD2 3.89Å; F340-Y346 HydrophobicContact CE1-CD2 3.89Å; F340-Y346 HydrophobicContact CE1-CE1 4.36Å; F340-Y346 HydrophobicContact CE1-CE2 4.23Å; F340-Y346 AromaticContact CE1-CG 3.81Å; F340-Y346 HydrophobicContact CE1-CG 3.81Å; F340-Y346 HydrophobicContact CG-CE2 4.42Å; F340-M354 HydrophobicContact CE2-CB 4.43Å; F340-M354 HydrophobicContact CE2-CG 4.05Å; F340-M354 HydrophobicContact CZ-CG 4.44Å; F340-L357 HydrophobicContact CD2-CB 3.84Å; F340-L357 HydrophobicContact CD2-CD1 4.42Å; F340-L357 HydrophobicContact CE1-CD1 4.38Å; F340-L357 HydrophobicContact CE2-CB 3.6Å; F340-L357 HydrophobicContact CE2-CD1 3.79Å; F340-L357 HydrophobicContact CE2-CG 4.36Å; F340-L357 HydrophobicContact CZ-CB 4.43Å; F340-L357 HydrophobicContact CZ-CD1 3.77Å; F340-T358 HydrophobicContact CD2-CG2 3.67Å; F340-T358 HydrophobicContact CE2-CG2 3.98Å
341	K	96.5	Very high	92.9	Very high	113 Å²	113	63.8 Å²	63.8	49%	0.491	31%	0.308	S	S	.	.			trans	-123.1	133.5	174	-68.6	-179.1	178.8	-179.1	0	108.6	Q344 Y346	K341-Q344 HydrophobicContact CB-CB 4.4Å; K341-Q344 HydrophobicContact CB-CG 3.85Å; K341-Q344 VanDerWaalsContact O-CB 3.32Å; K341-Q344 WeakPolarHBondContact O-CB 3.12Å; K341-Q344 PolarHBondContact O-N 3.43Å; K341-Y346 PolarHBondContact N-OH 3.08Å
342	R	98	Very high	93	Very high	99 Å²	99	65.2 Å²	65.2	37%	0.374	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	139.5	174.7	177.5	171.4	-74.9	-162.9	-7.9	110.8	E300 F302 D303 Q344	E300-R342 VanDerWaalsContact O-CD 3.24Å; E300-R342 WeakPolarHBondContact O-CD 3.14Å; E300-R342 WeakPolarHBondContact O-CG 3.14Å; F302-R342 WeakPolarHBondContact O-CA 3.35Å; F302-R342 WeakPolarHBondContact O-CG 3.47Å; D303-R342 IonicContact OD1-CZ 3.85Å; D303-R342 IonicContact OD1-NE 3.56Å; D303-R342 PolarHBondContact OD1-NE 3.43Å; D303-R342 IonicContact OD1-NH2 2.65Å; D303-R342 PolarHBondContact OD1-NH2 2.74Å; D303-R342 IonicContact OD2-NH2 2.78Å; D303-R342 PolarHBondContact OD2-NH2 3.33Å; D303-R342 VanDerWaalsContact OD2-NH2 3.14Å; R342-Q344 PolarHBondContact O-N 3.46Å
343	G	97.4	Very high	93.4	Very high	8 Å²	8	61.1 Å²	61.1	8%	0.082	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	-4.9	-176.9	0	0	0	0	0	115.7	Q299 F302	Q299-G343 VanDerWaalsContact O-CA 3.29Å; Q299-G343 WeakPolarHBondContact O-CA 3.37Å; Q299-G343 PolarHBondContact O-N 3.23Å; Q299-G343 PolarHBondContact OE1-O 3.44Å; F302-G343 PolarHBondContact O-N 3Å; F302-G343 VanDerWaalsContact O-N 3.09Å
344	Q	96.7	Very high	94	Very high	51 Å²	51	58.1 Å²	58.1	24%	0.238	28%	0.282	C	S	.	.			trans	-93.6	146.5	178.8	-57.2	-166.5	9.7	0	0	112	R324 K341 R342 Y346	R324-Q344 VanDerWaalsContact NH1-OE1 3.11Å; K341-Q344 HydrophobicContact CB-CB 4.4Å; K341-Q344 HydrophobicContact CB-CG 3.85Å; K341-Q344 VanDerWaalsContact O-CB 3.32Å; K341-Q344 WeakPolarHBondContact O-CB 3.12Å; K341-Q344 PolarHBondContact O-N 3.43Å; R342-Q344 PolarHBondContact O-N 3.46Å; Q344-Y346 HydrophobicContact CB-CE2 3.74Å; Q344-Y346 WeakPolarHBondContact O-CD2 3.43Å; Q344-Y346 VanDerWaalsContact O-CE2 3.32Å; Q344-Y346 WeakPolarHBondContact O-CE2 3.49Å
345	I	97.3	Very high	94.4	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	138.5	-177.8	-53.6	175.9	0	0	0	109.5	A283 I305 T325 I327	A283-I345 HydrophobicContact CB-CD1 4.14Å; A283-I345 HydrophobicContact CB-CG2 3.89Å; I305-I345 HydrophobicContact CB-CG1 4.39Å; I305-I345 HydrophobicContact CD1-CG1 4.35Å; I305-I345 HydrophobicContact CG2-CG1 4.15Å; I305-I345 HydrophobicContact CG2-CG2 4.28Å; T325-I345 PolarHBondContact N-O 3.03Å; I327-I345 HydrophobicContact CG1-CD1 3.96Å
346	Y	97.4	Very high	94.7	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150	179.7	-56	-89.7	0	0	0	109.8	I305 I306 S307 R323 R324 V337 F340 K341 Q344	I305-Y346 PolarHBondContact O-N 2.68Å; I306-Y346 WeakPolarHBondContact CA-O 3.16Å; S307-Y346 PolarHBondContact N-O 2.79Å; S307-Y346 PolarHBondContact OG-O 3.28Å; R323-Y346 CarbonylContact O-C 3.52Å; R323-Y346 VanDerWaalsContact O-CA 3.24Å; R323-Y346 WeakPolarHBondContact O-CA 3.34Å; R324-Y346 HydrophobicContact CB-CD1 4.18Å; R324-Y346 HydrophobicContact CB-CE1 4.09Å; R324-Y346 HydrophobicContact CG-CE1 4.28Å; V337-Y346 HydrophobicContact CB-CE1 4.45Å; V337-Y346 HydrophobicContact CG1-CD1 4.01Å; V337-Y346 HydrophobicContact CG1-CE1 3.61Å; V337-Y346 HydrophobicContact CG2-CD1 3.82Å; V337-Y346 HydrophobicContact CG2-CE1 3.92Å; F340-Y346 WeakPolarHBondContact CA-OH 3.39Å; F340-Y346 HydrophobicContact CB-CE2 4.43Å; F340-Y346 HydrophobicContact CD1-CD1 4.09Å; F340-Y346 AromaticContact CD1-CD2 3.6Å; F340-Y346 HydrophobicContact CD1-CD2 3.6Å; F340-Y346 AromaticContact CD1-CE1 3.95Å; F340-Y346 HydrophobicContact CD1-CE1 3.95Å; F340-Y346 AromaticContact CD1-CE2 3.48Å; F340-Y346 HydrophobicContact CD1-CE2 3.48Å; F340-Y346 VanDerWaalsContact CD1-CE2 3.48Å; F340-Y346 AromaticContact CD1-CG 3.91Å; F340-Y346 HydrophobicContact CD1-CG 3.91Å; F340-Y346 AromaticContact CD1-CZ 3.64Å; F340-Y346 HydrophobicContact CE1-CD1 4.07Å; F340-Y346 AromaticContact CE1-CD2 3.89Å; F340-Y346 HydrophobicContact CE1-CD2 3.89Å; F340-Y346 HydrophobicContact CE1-CE1 4.36Å; F340-Y346 HydrophobicContact CE1-CE2 4.23Å; F340-Y346 AromaticContact CE1-CG 3.81Å; F340-Y346 HydrophobicContact CE1-CG 3.81Å; F340-Y346 HydrophobicContact CG-CE2 4.42Å; K341-Y346 PolarHBondContact N-OH 3.08Å; Q344-Y346 HydrophobicContact CB-CE2 3.74Å; Q344-Y346 WeakPolarHBondContact O-CD2 3.43Å; Q344-Y346 VanDerWaalsContact O-CE2 3.32Å; Q344-Y346 WeakPolarHBondContact O-CE2 3.49Å
347	E	94.7	Very high	95	Very high	24 Å²	24	48.7 Å²	48.7	11%	0.112	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	151	173.8	-76	-168.3	173.2	0	0	110.9	S307 R308 F322 R323 T325	S307-E347 WeakPolarHBondContact O-CA 3.28Å; S307-E347 WeakPolarHBondContact OG-CG 3.48Å; R308-E347 HydrophobicContact CB-CG 4.42Å; R308-E347 WeakPolarHBondContact CD-OE1 3.44Å; R308-E347 IonicContact NE-OE1 2.68Å; R308-E347 PolarHBondContact NE-OE1 2.98Å; F322-E347 WeakPolarHBondContact CA-O 3.32Å; R323-E347 PolarHBondContact N-O 3.31Å; R323-E347 PolarHBondContact O-N 3.36Å; T325-E347 HydrophobicContact CG2-CB 4.03Å; T325-E347 HydrophobicContact CG2-CG 3.75Å
348	G	89.6	Confident	95.1	Very high	29 Å²	29	49.4 Å²	49.4	30%	0.299	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.2	-133.5	179.6	0	0	0	0	0	112.8	F314 F322	F314-G348 WeakPolarHBondContact CE2-O 3.47Å; F322-G348 VanDerWaalsContact CE1-O 3.3Å; F322-G348 WeakPolarHBondContact CE1-O 3.24Å
349	G	93.8	Very high	95.2	Very high	9 Å²	9	45.8 Å²	45.8	9%	0.093	24%	0.244	C	C	.	.			trans	68.3	-172.3	-176	0	0	0	0	0	114.8	Q321	Q321-G349 VanDerWaalsContact C-N 3.33Å; Q321-G349 PolarHBondContact O-N 3.43Å
350	C	94.9	Very high	95.3	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.014	23%	0.227	C	C	.	.			trans	-144.5	165.9	173.4	69.6	0	0	0	0	110.5	S317 P318 E352 E353 M354	S317-C350 WeakPolarHBondContact O-CB 3.25Å; P318-C350 PolarHBondContact O-SG 3.11Å; P318-C350 VanDerWaalsContact O-SG 3.38Å; C350-E352 VanDerWaalsContact C-N 3.33Å; C350-E352 PolarHBondContact O-N 3.35Å; C350-E353 PolarHBondContact O-N 3.47Å; C350-E353 PolarHBondContact SG-N 2.98Å; C350-E353 VanDerWaalsContact SG-N 3.38Å; C350-M354 PolarHBondContact O-N 3.1Å
351	L	94	Very high	95.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-39.4	-179.6	178.8	57.3	0	0	0	112.9	F314 F315 E353 M354 I355 Y383 W385	F314-L351 HydrophobicContact CD1-CB 4.23Å; F314-L351 HydrophobicContact CE1-CB 3.92Å; F314-L351 HydrophobicContact CE1-CD1 4.44Å; F314-L351 PolarHBondContact O-N 3.44Å; F315-L351 HydrophobicContact CD1-CB 4.04Å; F315-L351 HydrophobicContact CD1-CD2 3.73Å; F315-L351 HydrophobicContact CD1-CG 4.34Å; F315-L351 HydrophobicContact CE1-CD2 4.43Å; L351-E353 PolarHBondContact O-N 3.47Å; L351-M354 HydrophobicContact CD1-SD 4.34Å; L351-M354 WeakPolarHBondContact O-CB 3.16Å; L351-M354 PolarHBondContact O-N 2.92Å; L351-I355 HydrophobicContact CD1-CD1 4.12Å; L351-I355 HydrophobicContact CD1-CG1 4.15Å; L351-I355 HydrophobicContact CG-CD1 4.01Å; L351-I355 HydrophobicContact CG-CG1 4.48Å; L351-I355 WeakPolarHBondContact O-CG1 3.36Å; L351-I355 PolarHBondContact O-N 2.99Å; L351-Y383 HydrophobicContact CD2-CD1 3.96Å; L351-Y383 HydrophobicContact CD2-CD2 3.49Å; L351-Y383 VanDerWaalsContact CD2-CD2 3.49Å; L351-Y383 HydrophobicContact CD2-CE1 3.95Å; L351-Y383 HydrophobicContact CD2-CE2 3.5Å; L351-Y383 VanDerWaalsContact CD2-CE2 3.5Å; L351-Y383 HydrophobicContact CD2-CG 3.72Å; L351-Y383 HydrophobicContact CG-CD1 4.47Å; L351-Y383 HydrophobicContact CG-CE1 4.19Å; L351-Y383 HydrophobicContact CG-CE2 4.41Å; L351-W385 HydrophobicContact CD1-CH2 3.35Å; L351-W385 HydrophobicContact CD1-CZ2 3.49Å; L351-W385 VanDerWaalsContact CD1-CZ2 3.49Å; L351-W385 HydrophobicContact CD1-CZ3 4.26Å; L351-W385 HydrophobicContact CD2-CH2 4.47Å; L351-W385 HydrophobicContact CD2-CZ2 4.32Å; L351-W385 HydrophobicContact CG-CZ2 4.41Å
352	E	92.2	Very high	94.9	Very high	115 Å²	115	42 Å²	42	54%	0.537	23%	0.233	S	C	.	.	H	α-helix	trans	-62.1	-43.8	179.2	-172.8	177	166.4	0	0	111.7	P318 C350 M354 I355 K356	P318-E352 WeakPolarHBondContact CB-OE2 3.49Å; C350-E352 VanDerWaalsContact C-N 3.33Å; C350-E352 PolarHBondContact O-N 3.35Å; E352-M354 VanDerWaalsContact C-N 3.34Å; E352-I355 PolarHBondContact O-N 2.69Å; E352-K356 WeakPolarHBondContact O-CB 3.31Å; E352-K356 PolarHBondContact O-N 3.11Å
353	E	94.5	Very high	94.6	Very high	35 Å²	35	40.6 Å²	40.6	16%	0.164	24%	0.243	C	C	.	.	H	α-helix	trans	-64.6	-40	174.7	-172	-179.3	-140.7	0	0	111.3	Q321 F322 C350 L351 I355 K356 L357	Q321-E353 WeakPolarHBondContact CA-OE2 3.44Å; F322-E353 HydrophobicContact CD2-CB 4.4Å; F322-E353 HydrophobicContact CD2-CG 3.93Å; F322-E353 WeakPolarHBondContact CD2-OE2 3.35Å; F322-E353 HydrophobicContact CE2-CB 3.97Å; F322-E353 HydrophobicContact CE2-CG 3.98Å; F322-E353 WeakPolarHBondContact CE2-OE2 3.15Å; F322-E353 PolarHBondContact N-OE2 3.35Å; C350-E353 PolarHBondContact O-N 3.47Å; C350-E353 PolarHBondContact SG-N 2.98Å; C350-E353 VanDerWaalsContact SG-N 3.38Å; L351-E353 PolarHBondContact O-N 3.47Å; E353-I355 PolarHBondContact O-N 3.39Å; E353-K356 WeakPolarHBondContact O-CB 3.36Å; E353-K356 PolarHBondContact O-N 2.86Å; E353-L357 HydrophobicContact CG-CD1 3.93Å; E353-L357 HydrophobicContact CG-CG 4.24Å; E353-L357 WeakPolarHBondContact O-CB 3.34Å; E353-L357 VanDerWaalsContact O-CG 3.3Å; E353-L357 WeakPolarHBondContact O-CG 3.48Å; E353-L357 PolarHBondContact O-N 3.44Å
354	M	95.5	Very high	94.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-44.9	176.6	-177.9	-173.4	164	0	0	111.6	F276 I278 V304 I306 F314 F322 F340 C350 L351 E352 K356 L357 T358 W360	F276-M354 HydrophobicContact CB-CE 4.08Å; F276-M354 HydrophobicContact CD1-CE 3.93Å; F276-M354 HydrophobicContact CD2-CE 3.65Å; F276-M354 HydrophobicContact CE1-CE 4.16Å; F276-M354 HydrophobicContact CE2-CE 3.91Å; F276-M354 HydrophobicContact CG-CE 3.63Å; F276-M354 HydrophobicContact CZ-CE 4.13Å; I278-M354 HydrophobicContact CD1-SD 3.92Å; I278-M354 HydrophobicContact CG1-SD 4.48Å; V304-M354 HydrophobicContact CG1-CE 4.41Å; I306-M354 HydrophobicContact CD1-CG 4.36Å; I306-M354 HydrophobicContact CD1-SD 3.79Å; F314-M354 HydrophobicContact CZ-SD 4.48Å; F322-M354 HydrophobicContact CE2-CB 4.06Å; F322-M354 HydrophobicContact CZ-CB 3.94Å; F340-M354 HydrophobicContact CE2-CB 4.43Å; F340-M354 HydrophobicContact CE2-CG 4.05Å; F340-M354 HydrophobicContact CZ-CG 4.44Å; C350-M354 PolarHBondContact O-N 3.1Å; L351-M354 HydrophobicContact CD1-SD 4.34Å; L351-M354 WeakPolarHBondContact O-CB 3.16Å; L351-M354 PolarHBondContact O-N 2.92Å; E352-M354 VanDerWaalsContact C-N 3.34Å; M354-K356 VanDerWaalsContact C-N 3.33Å; M354-K356 PolarHBondContact O-N 3.43Å; M354-L357 PolarHBondContact O-N 3.28Å; M354-T358 HydrophobicContact CG-CG2 4.31Å; M354-T358 WeakPolarHBondContact O-CB 3.46Å; M354-T358 VanDerWaalsContact O-CG2 3.27Å; M354-T358 WeakPolarHBondContact O-CG2 3.49Å; M354-T358 PolarHBondContact O-N 3.34Å; M354-T358 PolarHBondContact O-OG1 2.91Å; M354-W360 HydrophobicContact CE-CE3 4.06Å; M354-W360 HydrophobicContact CE-CH2 4.42Å; M354-W360 HydrophobicContact CE-CZ3 3.46Å; M354-W360 VanDerWaalsContact CE-CZ3 3.46Å
355	I	93.2	Very high	94.6	Very high	40 Å²	40	38.7 Å²	38.7	21%	0.205	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-43.3	176.7	-68.9	168.9	0	0	0	110.1	L351 E352 E353 L357 T358 G359 Y383 W385	L351-I355 HydrophobicContact CD1-CD1 4.12Å; L351-I355 HydrophobicContact CD1-CG1 4.15Å; L351-I355 HydrophobicContact CG-CD1 4.01Å; L351-I355 HydrophobicContact CG-CG1 4.48Å; L351-I355 WeakPolarHBondContact O-CG1 3.36Å; L351-I355 PolarHBondContact O-N 2.99Å; E352-I355 PolarHBondContact O-N 2.69Å; E353-I355 PolarHBondContact O-N 3.39Å; I355-L357 PolarHBondContact O-N 2.9Å; I355-T358 PolarHBondContact O-N 3.09Å; I355-T358 PolarHBondContact O-OG1 3.37Å; I355-G359 WeakPolarHBondContact O-CA 3.36Å; I355-G359 PolarHBondContact O-N 3.37Å; I355-Y383 HydrophobicContact CD1-CD1 3.92Å; I355-Y383 HydrophobicContact CD1-CE1 4.24Å; I355-W385 HydrophobicContact CD1-CZ2 4.17Å; I355-W385 HydrophobicContact CG1-CZ2 4.22Å
356	K	93.4	Very high	94.7	Very high	178 Å²	178	38.4 Å²	38.4	77%	0.774	23%	0.233	S	C	*	.	H	α-helix	trans	-60.1	-45.1	177	-179.4	-175	174.1	-172.8	0	112.3	E352 E353 M354	E352-K356 WeakPolarHBondContact O-CB 3.31Å; E352-K356 PolarHBondContact O-N 3.11Å; E353-K356 WeakPolarHBondContact O-CB 3.36Å; E353-K356 PolarHBondContact O-N 2.86Å; M354-K356 VanDerWaalsContact C-N 3.33Å; M354-K356 PolarHBondContact O-N 3.43Å
357	L	96.1	Very high	94.7	Very high	38 Å²	38	38.2 Å²	38.2	20%	0.199	23%	0.232	C	C	.	.	H	α-helix	trans	-75.5	-28.7	-177.1	-68.6	176.4	0	0	0	113.3	F322 V337 Q338 F340 E353 M354 I355	F322-L357 HydrophobicContact CD2-CD1 3.88Å; F322-L357 HydrophobicContact CE2-CD1 4.38Å; V337-L357 HydrophobicContact CG1-CD1 4.26Å; Q338-L357 VanDerWaalsContact O-CD2 3.25Å; Q338-L357 WeakPolarHBondContact O-CD2 3.45Å; F340-L357 HydrophobicContact CD2-CB 3.84Å; F340-L357 HydrophobicContact CD2-CD1 4.42Å; F340-L357 HydrophobicContact CE1-CD1 4.38Å; F340-L357 HydrophobicContact CE2-CB 3.6Å; F340-L357 HydrophobicContact CE2-CD1 3.79Å; F340-L357 HydrophobicContact CE2-CG 4.36Å; F340-L357 HydrophobicContact CZ-CB 4.43Å; F340-L357 HydrophobicContact CZ-CD1 3.77Å; E353-L357 HydrophobicContact CG-CD1 3.93Å; E353-L357 HydrophobicContact CG-CG 4.24Å; E353-L357 WeakPolarHBondContact O-CB 3.34Å; E353-L357 VanDerWaalsContact O-CG 3.3Å; E353-L357 WeakPolarHBondContact O-CG 3.48Å; E353-L357 PolarHBondContact O-N 3.44Å; M354-L357 PolarHBondContact O-N 3.28Å; I355-L357 PolarHBondContact O-N 2.9Å
358	T	96.7	Very high	94.9	Very high	31 Å²	31	37.1 Å²	37.1	19%	0.19	23%	0.226	C	C	.	.	H	α-helix	trans	-92	-29.1	-179.8	56.9	0	0	0	0	113.5	V304 F340 M354 I355 W360	V304-T358 HydrophobicContact CG2-CG2 3.92Å; F340-T358 HydrophobicContact CD2-CG2 3.67Å; F340-T358 HydrophobicContact CE2-CG2 3.98Å; M354-T358 HydrophobicContact CG-CG2 4.31Å; M354-T358 WeakPolarHBondContact O-CB 3.46Å; M354-T358 VanDerWaalsContact O-CG2 3.27Å; M354-T358 WeakPolarHBondContact O-CG2 3.49Å; M354-T358 PolarHBondContact O-N 3.34Å; M354-T358 PolarHBondContact O-OG1 2.91Å; I355-T358 PolarHBondContact O-N 3.09Å; I355-T358 PolarHBondContact O-OG1 3.37Å; T358-W360 VanDerWaalsContact CB-CD2 3.47Å; T358-W360 HydrophobicContact CG2-CD2 3.89Å; T358-W360 HydrophobicContact CG2-CE3 3.86Å; T358-W360 HydrophobicContact CG2-CH2 3.97Å; T358-W360 HydrophobicContact CG2-CZ2 3.96Å; T358-W360 HydrophobicContact CG2-CZ3 3.91Å; T358-W360 PolarHBondContact O-N 3.36Å; T358-W360 PolarHBondContact OG1-N 3.33Å
359	G	95.6	Very high	95.3	Very high	64 Å²	64	35.7 Å²	35.7	66%	0.66	21%	0.212	S	C	*	.			trans	65.5	15.8	-172.3	0	0	0	0	0	113.8	I355	I355-G359 WeakPolarHBondContact O-CA 3.36Å; I355-G359 PolarHBondContact O-N 3.37Å
360	W	95.9	Very high	95.4	Very high	40 Å²	40	35.7 Å²	35.7	15%	0.152	21%	0.21	C	C	.	.			trans	-72	138.1	-177.9	-64.8	-19.1	0	0	0	111.9	V81 K274 F276 D303 V304 M354 T358 S362 I365	V81-W360 HydrophobicContact CB-CD2 4.48Å; V81-W360 HydrophobicContact CB-CE3 4.48Å; V81-W360 HydrophobicContact CG1-CD2 3.81Å; V81-W360 HydrophobicContact CG1-CE3 3.48Å; V81-W360 VanDerWaalsContact CG1-CE3 3.48Å; V81-W360 HydrophobicContact CG1-CH2 4Å; V81-W360 HydrophobicContact CG1-CZ2 4.31Å; V81-W360 HydrophobicContact CG1-CZ3 3.57Å; V81-W360 HydrophobicContact CG2-CB 4.19Å; V81-W360 HydrophobicContact CG2-CD2 3.87Å; V81-W360 HydrophobicContact CG2-CE3 4.34Å; V81-W360 HydrophobicContact CG2-CG 3.8Å; K274-W360 HydrophobicContact CB-CZ2 3.88Å; K274-W360 HydrophobicContact CG-CZ2 4.39Å; F276-W360 HydrophobicContact CB-CH2 4.12Å; F276-W360 HydrophobicContact CB-CZ3 4.11Å; F276-W360 HydrophobicContact CD1-CE3 4.2Å; F276-W360 AromaticContact CD1-CH2 3.97Å; F276-W360 HydrophobicContact CD1-CH2 3.97Å; F276-W360 AromaticContact CD1-CZ3 3.34Å; F276-W360 HydrophobicContact CD1-CZ3 3.34Å; F276-W360 HydrophobicContact CE1-CE3 4.37Å; F276-W360 AromaticContact CE1-CZ3 3.92Å; F276-W360 HydrophobicContact CE1-CZ3 3.92Å; F276-W360 HydrophobicContact CG-CH2 4.43Å; F276-W360 AromaticContact CG-CZ3 3.95Å; F276-W360 HydrophobicContact CG-CZ3 3.95Å; D303-W360 HydrophobicContact CB-CH2 4.45Å; D303-W360 HydrophobicContact CB-CZ2 4.2Å; V304-W360 HydrophobicContact CB-CH2 4.37Å; V304-W360 HydrophobicContact CG2-CH2 3.71Å; V304-W360 HydrophobicContact CG2-CZ2 4.32Å; V304-W360 HydrophobicContact CG2-CZ3 4.38Å; M354-W360 HydrophobicContact CE-CE3 4.06Å; M354-W360 HydrophobicContact CE-CH2 4.42Å; M354-W360 HydrophobicContact CE-CZ3 3.46Å; M354-W360 VanDerWaalsContact CE-CZ3 3.46Å; T358-W360 VanDerWaalsContact CB-CD2 3.47Å; T358-W360 HydrophobicContact CG2-CD2 3.89Å; T358-W360 HydrophobicContact CG2-CE3 3.86Å; T358-W360 HydrophobicContact CG2-CH2 3.97Å; T358-W360 HydrophobicContact CG2-CZ2 3.96Å; T358-W360 HydrophobicContact CG2-CZ3 3.91Å; T358-W360 PolarHBondContact O-N 3.36Å; T358-W360 PolarHBondContact OG1-N 3.33Å; W360-S362 PolarHBondContact O-N 3.38Å; W360-I365 HydrophobicContact CB-CD1 4.08Å
361	S	94.1	Very high	95.4	Very high	73 Å²	73	37.3 Å²	37.3	51%	0.51	22%	0.217	S	C	.	.			trans	-79.4	121.8	175.1	176.7	0	0	0	0	110.7	A363 S364	S361-A363 PolarHBondContact O-N 3.32Å; S361-A363 VanDerWaalsContact O-N 3.08Å; S361-S364 PolarHBondContact O-N 2.95Å; S361-S364 PolarHBondContact O-OG 3.41Å
362	S	92	Very high	95.3	Very high	35 Å²	35	37.4 Å²	37.4	25%	0.245	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-46.9	-36.9	175.5	-61.7	0	0	0	0	113.8	W360 S364 I365 W385	W360-S362 PolarHBondContact O-N 3.38Å; S362-S364 PolarHBondContact O-N 3.35Å; S362-I365 PolarHBondContact O-N 3.25Å; S362-W385 PolarHBondContact OG-NE1 2.98Å
363	A	92.5	Very high	95.2	Very high	69 Å²	69	35.2 Å²	35.2	57%	0.57	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-69.4	-11.2	-179.8	0	0	0	0	0	114.4	S361 M386	S361-A363 PolarHBondContact O-N 3.32Å; S361-A363 VanDerWaalsContact O-N 3.08Å; A363-M386 VanDerWaalsContact O-CE 3.24Å; A363-M386 WeakPolarHBondContact O-CE 3.42Å
364	S	96.1	Very high	95	Very high	20 Å²	20	34.4 Å²	34.4	14%	0.14	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-111.2	5.5	-178.9	69.1	0	0	0	0	113.7	I79 Q80 V81 S361 S362	I79-S364 WeakPolarHBondContact CA-O 3.34Å; Q80-S364 PolarHBondContact N-O 3.11Å; V81-S364 PolarHBondContact N-O 3.34Å; V81-S364 VanDerWaalsContact N-O 3.13Å; S361-S364 PolarHBondContact O-N 2.95Å; S361-S364 PolarHBondContact O-OG 3.41Å; S362-S364 PolarHBondContact O-N 3.35Å
365	I	97.8	Very high	94.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.7	-179.1	-59.7	172.7	0	0	0	109.6	V81 F276 W360 S362 W385 M386	V81-I365 HydrophobicContact CB-CG1 3.93Å; V81-I365 HydrophobicContact CG1-CG1 4.37Å; V81-I365 HydrophobicContact CG2-CG1 4.26Å; V81-I365 WeakPolarHBondContact O-CA 3.36Å; F276-I365 HydrophobicContact CE1-CG2 3.98Å; F276-I365 HydrophobicContact CZ-CG2 4.07Å; W360-I365 HydrophobicContact CB-CD1 4.08Å; S362-I365 PolarHBondContact O-N 3.25Å; I365-W385 HydrophobicContact CB-CD2 4.06Å; I365-W385 HydrophobicContact CB-CE3 4.35Å; I365-W385 HydrophobicContact CB-CG 4.25Å; I365-W385 HydrophobicContact CD1-CD2 4.16Å; I365-W385 VanDerWaalsContact CD1-CE2 3.49Å; I365-W385 HydrophobicContact CD1-CH2 3.97Å; I365-W385 HydrophobicContact CD1-CZ2 3.33Å; I365-W385 HydrophobicContact CG2-CD2 3.69Å; I365-W385 HydrophobicContact CG2-CE3 3.47Å; I365-W385 VanDerWaalsContact CG2-CE3 3.47Å; I365-W385 HydrophobicContact CG2-CG 4.27Å; I365-W385 HydrophobicContact CG2-CH2 4.14Å; I365-W385 HydrophobicContact CG2-CZ2 4.31Å; I365-W385 HydrophobicContact CG2-CZ3 3.77Å; I365-M386 PolarHBondContact O-N 3.02Å
366	L	98.2	Very high	95	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	112.2	165.5	177.7	59	0	0	0	109	I79 V81 Y82 G83 F368 M386 L480	I79-L366 HydrophobicContact CD1-CB 4.08Å; I79-L366 HydrophobicContact CG1-CB 4.24Å; I79-L366 HydrophobicContact CG2-CB 3.67Å; V81-L366 PolarHBondContact O-N 3.13Å; Y82-L366 WeakPolarHBondContact CA-O 3.37Å; Y82-L366 HydrophobicContact CD1-CD2 4.28Å; Y82-L366 HydrophobicContact CE1-CD2 3.92Å; G83-L366 PolarHBondContact N-O 2.95Å; L366-F368 HydrophobicContact CD1-CE2 4.37Å; L366-F368 HydrophobicContact CD1-CZ 4.41Å; L366-F368 HydrophobicContact CD2-CE2 3.53Å; L366-F368 HydrophobicContact CD2-CZ 3.58Å; L366-F368 HydrophobicContact CG-CD2 4.24Å; L366-F368 HydrophobicContact CG-CE2 3.5Å; L366-F368 VanDerWaalsContact CG-CE2 3.5Å; L366-F368 HydrophobicContact CG-CZ 3.87Å; L366-M386 CarbonylContact C-O 3.55Å; L366-M386 WeakPolarHBondContact CA-O 3.39Å; L366-M386 HydrophobicContact CD1-CB 3.88Å; L366-L480 HydrophobicContact CD1-CD2 4.08Å; L366-L480 HydrophobicContact CD1-CG 4.48Å; L366-L480 HydrophobicContact CD2-CD2 4.1Å
367	Y	98.5	Very high	95	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127	-178.4	-178.5	-117	0	0	0	111.7	G83 F276 I278 F315 D375 L376 V379 W385 M386 T387 G388	G83-Y367 CarbonylContact O-C 3.56Å; G83-Y367 WeakPolarHBondContact O-CA 3.21Å; F276-Y367 AromaticContact CE2-CD2 3.66Å; F276-Y367 HydrophobicContact CE2-CD2 3.66Å; F276-Y367 AromaticContact CE2-CE2 3.89Å; F276-Y367 HydrophobicContact CE2-CE2 3.89Å; F276-Y367 AromaticContact CZ-CD2 3.89Å; F276-Y367 HydrophobicContact CZ-CD2 3.89Å; I278-Y367 HydrophobicContact CD1-CE2 4.41Å; F315-Y367 AromaticContact CZ-CE1 3.95Å; F315-Y367 HydrophobicContact CZ-CE1 3.95Å; Y367-D375 HydrophobicContact CE1-CB 3.93Å; Y367-D375 WeakPolarHBondContact CE1-O 3.45Å; Y367-L376 HydrophobicContact CD1-CD2 4.38Å; Y367-V379 HydrophobicContact CD1-CG1 4.48Å; Y367-V379 HydrophobicContact CD1-CG2 4.44Å; Y367-W385 HydrophobicContact CD2-CZ3 4.49Å; Y367-W385 HydrophobicContact CG-CE3 4.27Å; Y367-W385 HydrophobicContact CG-CZ3 4.28Å; Y367-M386 PolarHBondContact N-O 3.19Å; Y367-T387 CarbonylContact O-C 3.55Å; Y367-T387 VanDerWaalsContact O-CA 3.3Å; Y367-T387 WeakPolarHBondContact O-CA 3.43Å; Y367-G388 PolarHBondContact O-N 2.86Å
368	F	98.7	Very high	94.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.7	178.5	-70.3	-91.8	0	0	0	112	Y82 G83 F84 D85 T89 L366 G388 V390 L480 V485 L488	Y82-F368 HydrophobicContact CD1-CE2 4.13Å; G83-F368 PolarHBondContact O-N 3.16Å; F84-F368 CarbonylContact C-O 3.55Å; F84-F368 WeakPolarHBondContact CA-O 3.29Å; F84-F368 HydrophobicContact CD1-CB 3.87Å; F84-F368 AromaticContact CD1-CD2 3.95Å; F84-F368 HydrophobicContact CD1-CD2 3.95Å; F84-F368 HydrophobicContact CD1-CG 4.19Å; F84-F368 HydrophobicContact CE1-CB 4.43Å; F84-F368 AromaticContact CE1-CD2 3.68Å; F84-F368 HydrophobicContact CE1-CD2 3.68Å; F84-F368 HydrophobicContact CE1-CE2 4.29Å; F84-F368 HydrophobicContact CE1-CG 4.25Å; D85-F368 PolarHBondContact N-O 2.91Å; T89-F368 HydrophobicContact CG2-CB 3.93Å; L366-F368 HydrophobicContact CD1-CE2 4.37Å; L366-F368 HydrophobicContact CD1-CZ 4.41Å; L366-F368 HydrophobicContact CD2-CE2 3.53Å; L366-F368 HydrophobicContact CD2-CZ 3.58Å; L366-F368 HydrophobicContact CG-CD2 4.24Å; L366-F368 HydrophobicContact CG-CE2 3.5Å; L366-F368 VanDerWaalsContact CG-CE2 3.5Å; L366-F368 HydrophobicContact CG-CZ 3.87Å; F368-G388 WeakPolarHBondContact CA-O 3.47Å; F368-G388 WeakPolarHBondContact CD1-O 3.24Å; F368-V390 HydrophobicContact CB-CG2 4.38Å; F368-V390 HydrophobicContact CD1-CG2 4.19Å; F368-L480 HydrophobicContact CE1-CD1 3.69Å; F368-L480 HydrophobicContact CZ-CD1 4.17Å; F368-V485 HydrophobicContact CB-CG1 4.04Å; F368-V485 HydrophobicContact CD1-CG1 3.69Å; F368-V485 HydrophobicContact CD2-CG1 4.48Å; F368-V485 HydrophobicContact CE1-CG1 4.26Å; F368-V485 HydrophobicContact CG-CG1 3.82Å; F368-L488 HydrophobicContact CE1-CD1 4.2Å; F368-L488 HydrophobicContact CE2-CD1 4.1Å; F368-L488 HydrophobicContact CZ-CD1 3.43Å; F368-L488 VanDerWaalsContact CZ-CD1 3.43Å
369	G	97.9	Very high	94.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	157.7	174.7	0	0	0	0	0	110.6	T89 G388 A389 V390	T89-G369 WeakPolarHBondContact OG1-CA 3.23Å; G369-G388 PolarHBondContact N-O 2.74Å; G369-G388 VanDerWaalsContact N-O 3.17Å; G369-A389 WeakPolarHBondContact O-CA 3.32Å; G369-V390 PolarHBondContact O-N 3.48Å
370	D	96.6	Very high	94.3	Very high	8 Å²	8	20.6 Å²	20.6	4%	0.043	13%	0.128	C	C	.	.	S	Bend	trans	-93.8	-30.7	177.4	77.7	-60	0	0	0	111.3	T89 R130 V372 V390	T89-D370 PolarHBondContact OG1-N 2.89Å; T89-D370 VanDerWaalsContact OG1-N 3.16Å; R130-D370 PolarHBondContact NH1-O 2.84Å; D370-V372 PolarHBondContact O-N 2.99Å; D370-V390 WeakPolarHBondContact CA-O 3.4Å
371	H	94.2	Very high	94	Very high	37 Å²	37	22.5 Å²	22.5	17%	0.171	15%	0.147	C	C	.	.			trans	-93.3	100.7	-173.9	-168.2	-51.6	0	0	0	111.4	Y373 A374 D375	H371-Y373 VanDerWaalsContact C-N 3.28Å; H371-Y373 AromaticContact CE1-CD2 3.99Å; H371-Y373 PolarHBondContact ND1-N 3.31Å; H371-Y373 PolarHBondContact O-N 3.23Å; H371-A374 HydrophobicContact CB-CB 4.1Å; H371-A374 PolarHBondContact ND1-N 3.32Å; H371-A374 PolarHBondContact O-N 2.92Å; H371-D375 WeakPolarHBondContact CB-OD2 3.49Å; H371-D375 PolarHBondContact N-OD2 2.96Å; H371-D375 WeakPolarHBondContact O-CB 3.38Å; H371-D375 PolarHBondContact O-N 3.11Å
372	V	91.8	Very high	93.6	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.012	15%	0.15	C	C	.	.	I	π-helix	trans	-43.8	-46.5	-177.3	178.7	0	0	0	0	114	M196 D370 L376 A377 F470 R473 L474 Y477	M196-V372 HydrophobicContact CE-CB 3.72Å; M196-V372 HydrophobicContact CE-CG2 3.69Å; D370-V372 PolarHBondContact O-N 2.99Å; V372-L376 WeakPolarHBondContact O-CB 3.43Å; V372-L376 PolarHBondContact O-N 3Å; V372-A377 WeakPolarHBondContact O-CB 3.25Å; V372-A377 PolarHBondContact O-N 3.18Å; V372-F470 HydrophobicContact CG2-CE2 4.17Å; V372-R473 HydrophobicContact CG1-CB 4.34Å; V372-L474 HydrophobicContact CG2-CD1 4.18Å; V372-Y477 HydrophobicContact CG1-CD2 3.61Å; V372-Y477 HydrophobicContact CG1-CE2 4.4Å; V372-Y477 HydrophobicContact CG1-CG 4.48Å
373	Y	90.3	Very high	93.5	Very high	69 Å²	69	24.3 Å²	24.3	27%	0.271	15%	0.148	S	C	.	.	I	π-helix	trans	-84.7	-41.4	-178.6	-52.8	-63.7	0	0	0	115.3	Q194 M196 H371 A377 R473 Y477	Q194-Y373 PolarHBondContact OE1-OH 3.32Å; M196-Y373 HydrophobicContact CE-CD2 4.5Å; M196-Y373 HydrophobicContact CE-CE2 4.28Å; M196-Y373 HydrophobicContact CG-CD2 3.95Å; M196-Y373 HydrophobicContact CG-CE2 3.7Å; M196-Y373 HydrophobicContact SD-CE2 4.11Å; H371-Y373 VanDerWaalsContact C-N 3.28Å; H371-Y373 AromaticContact CE1-CD2 3.99Å; H371-Y373 PolarHBondContact ND1-N 3.31Å; H371-Y373 PolarHBondContact O-N 3.23Å; Y373-A377 HydrophobicContact CD1-CB 4.43Å; Y373-R473 HydrophobicContact CE1-CG 4.47Å; Y373-R473 WeakPolarHBondContact OH-CG 3.11Å; Y373-Y477 HydrophobicContact CD1-CE2 4.48Å; Y373-Y477 HydrophobicContact CE1-CE2 4.31Å
374	A	90.3	Very high	93.3	Very high	18 Å²	18	23.6 Å²	23.6	15%	0.149	15%	0.147	C	C	.	.	I	π-helix	trans	-73.6	-30.5	-175.9	0	0	0	0	0	112.3	F315 H371	F315-A374 WeakPolarHBondContact CD2-O 3.36Å; F315-A374 WeakPolarHBondContact CE2-O 3.33Å; H371-A374 HydrophobicContact CB-CB 4.1Å; H371-A374 PolarHBondContact ND1-N 3.32Å; H371-A374 PolarHBondContact O-N 2.92Å
375	D	93.5	Very high	93.3	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	14%	0.142	C	C	.	.	I	π-helix	trans	-110.2	-46.5	-173.4	-54.5	-38.6	0	0	0	113.2	K311 Y367 H371 V379	K311-D375 WeakPolarHBondContact CD-OD1 3.48Å; K311-D375 WeakPolarHBondContact CE-OD1 3.38Å; K311-D375 IonicContact NZ-OD1 3.72Å; K311-D375 PolarHBondContact NZ-OD1 3.27Å; Y367-D375 HydrophobicContact CE1-CB 3.93Å; Y367-D375 WeakPolarHBondContact CE1-O 3.45Å; H371-D375 WeakPolarHBondContact CB-OD2 3.49Å; H371-D375 PolarHBondContact N-OD2 2.96Å; H371-D375 WeakPolarHBondContact O-CB 3.38Å; H371-D375 PolarHBondContact O-N 3.11Å; D375-V379 WeakPolarHBondContact O-CG2 3.17Å
376	L	95.2	Very high	93.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.15	C	C	.	.	I	π-helix	trans	-99.5	-39.3	-163.3	-49	-176.3	0	0	0	113.1	Y367 V372 V379 A380 T387 A389 A478	Y367-L376 HydrophobicContact CD1-CD2 4.38Å; V372-L376 WeakPolarHBondContact O-CB 3.43Å; V372-L376 PolarHBondContact O-N 3Å; L376-V379 PolarHBondContact O-N 3.48Å; L376-A380 VanDerWaalsContact O-CB 3.23Å; L376-A380 WeakPolarHBondContact O-CB 3.35Å; L376-A380 PolarHBondContact O-N 2.65Å; L376-T387 HydrophobicContact CB-CG2 4.3Å; L376-T387 HydrophobicContact CD2-CG2 4.24Å; L376-A389 HydrophobicContact CD1-CB 3.66Å; L376-A478 HydrophobicContact CD1-CB 4.38Å
377	A	92.3	Very high	93.2	Very high	7 Å²	7	24.7 Å²	24.7	6%	0.058	15%	0.15	C	C	.	.	I	π-helix	trans	-61.4	-53.4	-167.5	0	0	0	0	0	113.2	V372 Y373 S381 Y477	V372-A377 WeakPolarHBondContact O-CB 3.25Å; V372-A377 PolarHBondContact O-N 3.18Å; Y373-A377 HydrophobicContact CD1-CB 4.43Å; A377-S381 VanDerWaalsContact O-CB 3.24Å; A377-S381 WeakPolarHBondContact O-CB 3.37Å; A377-S381 PolarHBondContact O-N 3.08Å; A377-S381 PolarHBondContact O-OG 3.3Å; A377-Y477 HydrophobicContact CB-CD1 4.02Å; A377-Y477 HydrophobicContact CB-CD2 3.9Å; A377-Y477 HydrophobicContact CB-CE1 4.06Å; A377-Y477 HydrophobicContact CB-CE2 3.93Å; A377-Y477 HydrophobicContact CB-CG 3.94Å
378	D	91.1	Very high	93.2	Very high	27 Å²	27	24.7 Å²	24.7	14%	0.144	15%	0.15	C	C	.	.	H	α-helix	trans	-69.7	-38	-177.9	-65.3	-59.8	0	0	0	111.8	F315 K316 T382	F315-D378 HydrophobicContact CB-CB 3.88Å; K316-D378 WeakPolarHBondContact CE-OD1 3.49Å; K316-D378 WeakPolarHBondContact CE-OD2 3.48Å; K316-D378 HydrophobicContact CG-CB 4.49Å; K316-D378 IonicContact NZ-OD1 2.66Å; K316-D378 IonicContact NZ-OD2 2.98Å; D378-T382 WeakPolarHBondContact O-CA 3.32Å; D378-T382 WeakPolarHBondContact O-CB 3.37Å; D378-T382 PolarHBondContact O-N 2.65Å; D378-T382 PolarHBondContact O-OG1 2.98Å
379	V	92	Very high	93.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.1	-45.5	179.7	-174.5	0	0	0	0	111.1	F315 Y367 D375 L376 Y383 G384 W385	F315-V379 HydrophobicContact CB-CG2 4.31Å; F315-V379 HydrophobicContact CD1-CG2 3.41Å; F315-V379 VanDerWaalsContact CD1-CG2 3.41Å; F315-V379 HydrophobicContact CD2-CG2 3.92Å; F315-V379 HydrophobicContact CE1-CG2 3.53Å; F315-V379 HydrophobicContact CE2-CG2 4.04Å; F315-V379 HydrophobicContact CG-CG2 3.62Å; F315-V379 HydrophobicContact CZ-CG2 3.86Å; Y367-V379 HydrophobicContact CD1-CG1 4.48Å; Y367-V379 HydrophobicContact CD1-CG2 4.44Å; D375-V379 WeakPolarHBondContact O-CG2 3.17Å; L376-V379 PolarHBondContact O-N 3.48Å; V379-Y383 PolarHBondContact O-N 2.93Å; V379-G384 PolarHBondContact O-N 3Å; V379-W385 HydrophobicContact CG1-CB 3.69Å; V379-W385 HydrophobicContact CG1-CD2 3.39Å; V379-W385 HydrophobicContact CG1-CE3 3.15Å; V379-W385 HydrophobicContact CG1-CG 3.6Å; V379-W385 HydrophobicContact CG1-CZ3 3.98Å; V379-W385 PolarHBondContact O-N 3.2Å
380	A	91.5	Very high	93.2	Very high	26 Å²	26	24.7 Å²	24.7	22%	0.215	15%	0.151	C	C	.	.	H	α-helix	trans	-67.8	-47.6	176.3	0	0	0	0	0	112.1	L376 G384 T387 Y477	L376-A380 VanDerWaalsContact O-CB 3.23Å; L376-A380 WeakPolarHBondContact O-CB 3.35Å; L376-A380 PolarHBondContact O-N 2.65Å; A380-G384 WeakPolarHBondContact O-CA 3.44Å; A380-G384 PolarHBondContact O-N 3.15Å; A380-T387 HydrophobicContact CB-CG2 3.99Å; A380-Y477 WeakPolarHBondContact CB-O 3.4Å
381	S	88.8	Confident	93.3	Very high	80 Å²	80	24.4 Å²	24.4	56%	0.559	15%	0.149	S	C	*	.	H	α-helix	trans	-78.8	-30.1	-171.7	61	0	0	0	0	114.6	A377	A377-S381 VanDerWaalsContact O-CB 3.24Å; A377-S381 WeakPolarHBondContact O-CB 3.37Å; A377-S381 PolarHBondContact O-N 3.08Å; A377-S381 PolarHBondContact O-OG 3.3Å
382	T	87.2	Confident	93.3	Very high	91 Å²	91	24.3 Å²	24.3	56%	0.558	15%	0.152	S	C	*	.	H	α-helix	trans	-101.9	-38.5	-174.5	-52.1	0	0	0	0	112.3	D378	D378-T382 WeakPolarHBondContact O-CA 3.32Å; D378-T382 WeakPolarHBondContact O-CB 3.37Å; D378-T382 PolarHBondContact O-N 2.65Å; D378-T382 PolarHBondContact O-OG1 2.98Å
383	Y	88.1	Confident	93.5	Very high	56 Å²	56	25.6 Å²	25.6	22%	0.22	16%	0.157	C	C	.	.	H	α-helix	trans	-109.6	-8.9	-173.5	-60	-92.3	0	0	0	113.7	F315 L351 I355 V379 W385	F315-Y383 VanDerWaalsContact O-CE2 3.29Å; F315-Y383 WeakPolarHBondContact O-CE2 3.42Å; F315-Y383 PolarHBondContact O-OH 3.14Å; L351-Y383 HydrophobicContact CD2-CD1 3.96Å; L351-Y383 HydrophobicContact CD2-CD2 3.49Å; L351-Y383 VanDerWaalsContact CD2-CD2 3.49Å; L351-Y383 HydrophobicContact CD2-CE1 3.95Å; L351-Y383 HydrophobicContact CD2-CE2 3.5Å; L351-Y383 VanDerWaalsContact CD2-CE2 3.5Å; L351-Y383 HydrophobicContact CD2-CG 3.72Å; L351-Y383 HydrophobicContact CG-CD1 4.47Å; L351-Y383 HydrophobicContact CG-CE1 4.19Å; L351-Y383 HydrophobicContact CG-CE2 4.41Å; I355-Y383 HydrophobicContact CD1-CD1 3.92Å; I355-Y383 HydrophobicContact CD1-CE1 4.24Å; V379-Y383 PolarHBondContact O-N 2.93Å; Y383-W385 VanDerWaalsContact C-N 3.25Å; Y383-W385 PolarHBondContact O-N 2.77Å
384	G	89.6	Confident	93.9	Very high	53 Å²	53	22.6 Å²	22.6	55%	0.546	15%	0.146	S	C	.	.			trans	65.4	24.6	177.1	0	0	0	0	0	114	V379 A380	V379-G384 PolarHBondContact O-N 3Å; A380-G384 WeakPolarHBondContact O-CA 3.44Å; A380-G384 PolarHBondContact O-N 3.15Å
385	W	95	Very high	94.2	Very high	6 Å²	6	23.2 Å²	23.2	2%	0.023	15%	0.146	C	C	.	.			trans	-68.2	152	174.8	-63	4.6	0	0	0	110.2	F276 L351 I355 S362 I365 Y367 V379 Y383	F276-W385 HydrophobicContact CE2-CH2 4.48Å; F276-W385 HydrophobicContact CE2-CZ3 4.2Å; F276-W385 AromaticContact CZ-CH2 3.83Å; F276-W385 HydrophobicContact CZ-CH2 3.83Å; F276-W385 AromaticContact CZ-CZ3 3.55Å; F276-W385 HydrophobicContact CZ-CZ3 3.55Å; L351-W385 HydrophobicContact CD1-CH2 3.35Å; L351-W385 HydrophobicContact CD1-CZ2 3.49Å; L351-W385 VanDerWaalsContact CD1-CZ2 3.49Å; L351-W385 HydrophobicContact CD1-CZ3 4.26Å; L351-W385 HydrophobicContact CD2-CH2 4.47Å; L351-W385 HydrophobicContact CD2-CZ2 4.32Å; L351-W385 HydrophobicContact CG-CZ2 4.41Å; I355-W385 HydrophobicContact CD1-CZ2 4.17Å; I355-W385 HydrophobicContact CG1-CZ2 4.22Å; S362-W385 PolarHBondContact OG-NE1 2.98Å; I365-W385 HydrophobicContact CB-CD2 4.06Å; I365-W385 HydrophobicContact CB-CE3 4.35Å; I365-W385 HydrophobicContact CB-CG 4.25Å; I365-W385 HydrophobicContact CD1-CD2 4.16Å; I365-W385 VanDerWaalsContact CD1-CE2 3.49Å; I365-W385 HydrophobicContact CD1-CH2 3.97Å; I365-W385 HydrophobicContact CD1-CZ2 3.33Å; I365-W385 HydrophobicContact CG2-CD2 3.69Å; I365-W385 HydrophobicContact CG2-CE3 3.47Å; I365-W385 VanDerWaalsContact CG2-CE3 3.47Å; I365-W385 HydrophobicContact CG2-CG 4.27Å; I365-W385 HydrophobicContact CG2-CH2 4.14Å; I365-W385 HydrophobicContact CG2-CZ2 4.31Å; I365-W385 HydrophobicContact CG2-CZ3 3.77Å; Y367-W385 HydrophobicContact CD2-CZ3 4.49Å; Y367-W385 HydrophobicContact CG-CE3 4.27Å; Y367-W385 HydrophobicContact CG-CZ3 4.28Å; V379-W385 HydrophobicContact CG1-CB 3.69Å; V379-W385 HydrophobicContact CG1-CD2 3.39Å; V379-W385 HydrophobicContact CG1-CE3 3.15Å; V379-W385 HydrophobicContact CG1-CG 3.6Å; V379-W385 HydrophobicContact CG1-CZ3 3.98Å; V379-W385 PolarHBondContact O-N 3.2Å; Y383-W385 VanDerWaalsContact C-N 3.25Å; Y383-W385 PolarHBondContact O-N 2.77Å
386	M	97	Very high	94.3	Very high	37 Å²	37	26.7 Å²	26.7	18%	0.182	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	136.7	163.7	-71.6	178.4	-96.4	0	0	109.1	I79 A363 I365 L366 Y367 T479	I79-M386 HydrophobicContact CD1-CE 3.18Å; I79-M386 HydrophobicContact CD1-SD 3.72Å; A363-M386 VanDerWaalsContact O-CE 3.24Å; A363-M386 WeakPolarHBondContact O-CE 3.42Å; I365-M386 PolarHBondContact O-N 3.02Å; L366-M386 CarbonylContact C-O 3.55Å; L366-M386 WeakPolarHBondContact CA-O 3.39Å; L366-M386 HydrophobicContact CD1-CB 3.88Å; Y367-M386 PolarHBondContact N-O 3.19Å; M386-T479 HydrophobicContact CG-CG2 4.25Å
387	T	98.1	Very high	94.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.8	-175.9	46.7	0	0	0	0	110.8	Y367 L376 A380 Y477 A478 T479 L480	Y367-T387 CarbonylContact O-C 3.55Å; Y367-T387 VanDerWaalsContact O-CA 3.3Å; Y367-T387 WeakPolarHBondContact O-CA 3.43Å; L376-T387 HydrophobicContact CB-CG2 4.3Å; L376-T387 HydrophobicContact CD2-CG2 4.24Å; A380-T387 HydrophobicContact CB-CG2 3.99Å; T387-Y477 WeakPolarHBondContact CB-O 3.41Å; T387-Y477 PolarHBondContact OG1-O 2.93Å; T387-A478 WeakPolarHBondContact OG1-CA 3.48Å; T387-T479 PolarHBondContact N-OG1 2.89Å; T387-T479 WeakPolarHBondContact O-CA 3.37Å; T387-T479 WeakPolarHBondContact O-CB 3.4Å; T387-T479 PolarHBondContact O-N 3.49Å; T387-T479 PolarHBondContact OG1-N 3.15Å; T387-T479 VanDerWaalsContact OG1-N 3.13Å; T387-L480 PolarHBondContact O-N 2.98Å
388	G	98.3	Very high	94.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	111.3	175.3	0	0	0	0	0	111	Y367 F368 G369 L480	Y367-G388 PolarHBondContact O-N 2.86Å; F368-G388 WeakPolarHBondContact CA-O 3.47Å; F368-G388 WeakPolarHBondContact CD1-O 3.24Å; G369-G388 PolarHBondContact N-O 2.74Å; G369-G388 VanDerWaalsContact N-O 3.17Å; G388-L480 CarbonylContact C-O 3.28Å; G388-L480 WeakPolarHBondContact CA-O 3.37Å
389	A	98.3	Very high	94.9	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	130.5	175.5	0	0	0	0	0	111.4	G369 L376 I391 L474 A478 L480 Y481 T482	G369-A389 WeakPolarHBondContact O-CA 3.32Å; L376-A389 HydrophobicContact CD1-CB 3.66Å; A389-I391 HydrophobicContact CB-CD1 4.25Å; A389-I391 HydrophobicContact CB-CG1 4.15Å; A389-L474 HydrophobicContact CB-CD1 3.31Å; A389-A478 HydrophobicContact CB-CB 3.8Å; A389-L480 PolarHBondContact N-O 2.94Å; A389-Y481 VanDerWaalsContact O-CA 3.24Å; A389-Y481 WeakPolarHBondContact O-CA 3.36Å; A389-T482 PolarHBondContact O-N 3.44Å
390	V	98.4	Very high	95	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.6	171.1	-174.7	0	0	0	0	109.2	Y88 T89 F368 G369 D370 T482 S483 V485	Y88-V390 WeakPolarHBondContact O-CG1 3.46Å; T89-V390 HydrophobicContact CG2-CG2 3.99Å; F368-V390 HydrophobicContact CB-CG2 4.38Å; F368-V390 HydrophobicContact CD1-CG2 4.19Å; G369-V390 PolarHBondContact O-N 3.48Å; D370-V390 WeakPolarHBondContact CA-O 3.4Å; V390-T482 CarbonylContact C-O 3.59Å; V390-T482 WeakPolarHBondContact CA-O 3.1Å; V390-S483 WeakPolarHBondContact CG1-O 3.3Å; V390-V485 HydrophobicContact CG2-CG1 3.69Å
391	I	97.4	Very high	95.2	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	20%	0.203	C	C	.	.			trans	-130.2	82.8	-173	-49.5	177.5	0	0	0	109.3	A389 E393 L394 F461 F470 L474 Y481 T482 S483	A389-I391 HydrophobicContact CB-CD1 4.25Å; A389-I391 HydrophobicContact CB-CG1 4.15Å; I391-E393 WeakPolarHBondContact CG2-OE2 3.29Å; I391-E393 PolarHBondContact O-N 3.17Å; I391-E393 VanDerWaalsContact O-N 3.08Å; I391-L394 HydrophobicContact CB-CB 4.28Å; I391-L394 HydrophobicContact CG2-CB 4.31Å; I391-L394 WeakPolarHBondContact O-CB 3.49Å; I391-L394 PolarHBondContact O-N 3.12Å; I391-F461 HydrophobicContact CD1-CE1 4.03Å; I391-F461 HydrophobicContact CD1-CZ 4.21Å; I391-F461 HydrophobicContact CG2-CE1 4.49Å; I391-F461 HydrophobicContact CG2-CZ 3.89Å; I391-F470 HydrophobicContact CD1-CZ 4.47Å; I391-L474 HydrophobicContact CD1-CD1 3.67Å; I391-L474 HydrophobicContact CD1-CD2 3.26Å; I391-L474 HydrophobicContact CD1-CG 4.08Å; I391-Y481 HydrophobicContact CD1-CD2 4.1Å; I391-Y481 HydrophobicContact CD1-CG 4.29Å; I391-T482 PolarHBondContact N-O 3.26Å; I391-S483 VanDerWaalsContact O-CA 3.31Å; I391-S483 WeakPolarHBondContact O-CA 3.32Å
392	P	96.3	Very high	95.4	Very high	35 Å²	35	30.2 Å²	30.2	23%	0.227	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-35.9	-178.6	-29.6	36	0	0	0	114.2	F198 L394 E395	F198-P392 HydrophobicContact CE2-CG 4.37Å; F198-P392 HydrophobicContact CZ-CG 4.06Å; P392-L394 PolarHBondContact O-N 3.46Å; P392-L394 VanDerWaalsContact O-N 3.15Å; P392-E395 PolarHBondContact O-N 3.32Å
393	E	95.7	Very high	95.6	Very high	29 Å²	29	28.6 Å²	28.6	14%	0.136	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-17.1	179.2	-49.4	96.5	133.4	0	0	113.1	R130 F198 I391 E395 S396 E397	R130-E393 WeakPolarHBondContact CB-OE1 3.14Å; R130-E393 IonicContact CZ-OE1 3.22Å; R130-E393 IonicContact CZ-OE2 2.89Å; R130-E393 IonicContact NE-OE1 3.69Å; R130-E393 PolarHBondContact NE-OE1 3.48Å; R130-E393 IonicContact NE-OE2 2.74Å; R130-E393 IonicContact NH2-OE1 2.69Å; R130-E393 PolarHBondContact NH2-OE1 2.84Å; R130-E393 IonicContact NH2-OE2 3.15Å; R130-E393 PolarHBondContact NH2-OE2 3.46Å; F198-E393 HydrophobicContact CE1-CG 4.43Å; F198-E393 VanDerWaalsContact CE1-OE1 3.31Å; F198-E393 WeakPolarHBondContact CE1-OE1 3.19Å; F198-E393 VanDerWaalsContact CZ-CD 3.49Å; F198-E393 WeakPolarHBondContact CZ-OE1 3.42Å; F198-E393 WeakPolarHBondContact CZ-OE2 3.4Å; I391-E393 WeakPolarHBondContact CG2-OE2 3.29Å; I391-E393 PolarHBondContact O-N 3.17Å; I391-E393 VanDerWaalsContact O-N 3.08Å; E393-E395 PolarHBondContact O-N 3.45Å; E393-S396 PolarHBondContact O-N 3.12Å; E393-S396 PolarHBondContact O-OG 2.99Å; E393-E397 WeakPolarHBondContact O-CB 3.45Å; E393-E397 WeakPolarHBondContact O-CG 3.42Å; E393-E397 PolarHBondContact O-N 3.34Å
394	L	97.4	Very high	95.7	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-34.6	179.1	-176.8	64.4	0	0	0	112.3	F69 I391 P392 E397 L398 F461 Y481	F69-L394 HydrophobicContact CD2-CD2 3.8Å; F69-L394 HydrophobicContact CE2-CD2 3.85Å; F69-L394 HydrophobicContact CE2-CG 4.43Å; I391-L394 HydrophobicContact CB-CB 4.28Å; I391-L394 HydrophobicContact CG2-CB 4.31Å; I391-L394 WeakPolarHBondContact O-CB 3.49Å; I391-L394 PolarHBondContact O-N 3.12Å; P392-L394 PolarHBondContact O-N 3.46Å; P392-L394 VanDerWaalsContact O-N 3.15Å; L394-E397 PolarHBondContact O-N 3.5Å; L394-L398 HydrophobicContact CD1-CD1 3.99Å; L394-L398 HydrophobicContact CD1-CG 4.04Å; L394-L398 HydrophobicContact CD2-CD1 4.4Å; L394-L398 HydrophobicContact CG-CD1 3.77Å; L394-L398 HydrophobicContact CG-CG 4.25Å; L394-L398 WeakPolarHBondContact O-CB 3.29Å; L394-L398 VanDerWaalsContact O-CG 3.23Å; L394-L398 WeakPolarHBondContact O-CG 3.37Å; L394-L398 PolarHBondContact O-N 2.97Å; L394-F461 HydrophobicContact CB-CZ 4.45Å; L394-F461 HydrophobicContact CD1-CE2 3.75Å; L394-F461 HydrophobicContact CD1-CZ 3.73Å; L394-Y481 HydrophobicContact CD1-CD2 4.44Å; L394-Y481 HydrophobicContact CD1-CE2 4.05Å; L394-Y481 HydrophobicContact CD2-CD2 3.85Å; L394-Y481 HydrophobicContact CD2-CE2 4.1Å
395	E	97.2	Very high	95.7	Very high	31 Å²	31	31.8 Å²	31.8	15%	0.145	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-50.2	178.7	-92.8	176.3	-118.8	0	0	111.4	P65 R66 P392 E393 E397 L398 I399 S483	P65-E395 HydrophobicContact CB-CB 4.49Å; P65-E395 HydrophobicContact CB-CG 4.12Å; P65-E395 WeakPolarHBondContact O-CG 3.5Å; R66-E395 HydrophobicContact CG-CG 4.16Å; R66-E395 IonicContact NE-OE2 2.71Å; R66-E395 PolarHBondContact NE-OE2 3.04Å; R66-E395 IonicContact NH2-OE2 3.9Å; P392-E395 PolarHBondContact O-N 3.32Å; E393-E395 PolarHBondContact O-N 3.45Å; E395-E397 VanDerWaalsContact C-N 3.34Å; E395-E397 PolarHBondContact O-N 3.3Å; E395-L398 PolarHBondContact O-N 3.34Å; E395-I399 WeakPolarHBondContact O-CD1 3.49Å; E395-I399 VanDerWaalsContact O-CG1 3.24Å; E395-I399 WeakPolarHBondContact O-CG1 3.45Å; E395-I399 PolarHBondContact O-N 2.87Å; E395-S483 WeakPolarHBondContact CG-OG 3.31Å; E395-S483 VanDerWaalsContact OE1-CB 3.29Å; E395-S483 WeakPolarHBondContact OE1-CB 3.43Å; E395-S483 PolarHBondContact OE1-OG 3.45Å
396	S	95.8	Very high	95.6	Very high	75 Å²	75	32.5 Å²	32.5	52%	0.524	19%	0.186	S	C	.	.	H	α-helix	trans	-67.8	-35.5	178.8	56	0	0	0	0	112	E393 I399 A400	E393-S396 PolarHBondContact O-N 3.12Å; E393-S396 PolarHBondContact O-OG 2.99Å; S396-I399 PolarHBondContact O-N 3.42Å; S396-A400 VanDerWaalsContact O-CB 3.32Å; S396-A400 WeakPolarHBondContact O-CB 3.44Å; S396-A400 PolarHBondContact O-N 3.13Å
397	E	96.7	Very high	95.3	Very high	22 Å²	22	32.4 Å²	32.4	10%	0.103	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-43.3	172.8	-72.3	-84.4	165	0	0	112.3	E393 L394 E395 A400 A401 F453 S459 I460 F461	E393-E397 WeakPolarHBondContact O-CB 3.45Å; E393-E397 WeakPolarHBondContact O-CG 3.42Å; E393-E397 PolarHBondContact O-N 3.34Å; L394-E397 PolarHBondContact O-N 3.5Å; E395-E397 VanDerWaalsContact C-N 3.34Å; E395-E397 PolarHBondContact O-N 3.3Å; E397-A400 PolarHBondContact O-N 3.15Å; E397-A401 VanDerWaalsContact O-CB 3.28Å; E397-A401 WeakPolarHBondContact O-CB 3.47Å; E397-A401 PolarHBondContact O-N 3.43Å; E397-F453 WeakPolarHBondContact O-CE1 3.3Å; E397-F453 WeakPolarHBondContact OE2-CD1 3.31Å; E397-F453 WeakPolarHBondContact OE2-CE1 3.36Å; E397-S459 WeakPolarHBondContact OE1-CA 3.45Å; E397-S459 WeakPolarHBondContact OE2-CA 3.49Å; E397-S459 WeakPolarHBondContact OE2-CB 3.3Å; E397-S459 PolarHBondContact OE2-OG 3.01Å; E397-I460 HydrophobicContact CG-CG2 4.04Å; E397-I460 WeakPolarHBondContact OE1-CG2 3.47Å; E397-I460 PolarHBondContact OE1-N 3.27Å; E397-F461 HydrophobicContact CB-CD2 4.34Å; E397-F461 HydrophobicContact CB-CE2 4.06Å; E397-F461 HydrophobicContact CG-CD2 4Å; E397-F461 HydrophobicContact CG-CE2 3.81Å
398	L	96.9	Very high	94.9	Very high	21 Å²	21	34.9 Å²	34.9	11%	0.11	20%	0.197	C	C	.	.	H	α-helix	trans	-73	-36.3	178.8	-71.5	171.2	0	0	0	112.3	V63 P65 F69 L394 E395 A400 A401 N402	V63-L398 HydrophobicContact CB-CD2 4.25Å; V63-L398 HydrophobicContact CG1-CD1 4.44Å; V63-L398 HydrophobicContact CG1-CD2 3.78Å; P65-L398 HydrophobicContact CB-CB 4.16Å; P65-L398 HydrophobicContact CG-CB 4.41Å; F69-L398 HydrophobicContact CE2-CD1 3.55Å; F69-L398 HydrophobicContact CZ-CD1 3.56Å; F69-L398 HydrophobicContact CZ-CD2 4Å; F69-L398 HydrophobicContact CZ-CG 4.44Å; L394-L398 HydrophobicContact CD1-CD1 3.99Å; L394-L398 HydrophobicContact CD1-CG 4.04Å; L394-L398 HydrophobicContact CD2-CD1 4.4Å; L394-L398 HydrophobicContact CG-CD1 3.77Å; L394-L398 HydrophobicContact CG-CG 4.25Å; L394-L398 WeakPolarHBondContact O-CB 3.29Å; L394-L398 VanDerWaalsContact O-CG 3.23Å; L394-L398 WeakPolarHBondContact O-CG 3.37Å; L394-L398 PolarHBondContact O-N 2.97Å; E395-L398 PolarHBondContact O-N 3.34Å; L398-A400 VanDerWaalsContact C-N 3.35Å; L398-A401 PolarHBondContact O-N 3.17Å; L398-N402 VanDerWaalsContact O-CB 3.31Å; L398-N402 WeakPolarHBondContact O-CB 3.31Å; L398-N402 VanDerWaalsContact O-CG 3.29Å; L398-N402 PolarHBondContact O-N 3.1Å; L398-N402 PolarHBondContact O-ND2 3.36Å; L398-N402 VanDerWaalsContact O-ND2 3.17Å
399	I	96.6	Very high	94.6	Very high	106 Å²	106	37.2 Å²	37.2	54%	0.544	21%	0.21	S	C	.	.	H	α-helix	trans	-59.8	-48	171.5	-69.3	164.1	0	0	0	109.9	P65 E395 S396 N402 N403	P65-I399 HydrophobicContact CB-CG1 4.12Å; P65-I399 HydrophobicContact CG-CG1 3.77Å; E395-I399 WeakPolarHBondContact O-CD1 3.49Å; E395-I399 VanDerWaalsContact O-CG1 3.24Å; E395-I399 WeakPolarHBondContact O-CG1 3.45Å; E395-I399 PolarHBondContact O-N 2.87Å; S396-I399 PolarHBondContact O-N 3.42Å; I399-N402 PolarHBondContact O-N 2.85Å; I399-N403 PolarHBondContact O-N 2.91Å
400	A	95.4	Very high	94.3	Very high	12 Å²	12	39.9 Å²	39.9	10%	0.099	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-44.6	175.3	0	0	0	0	0	112.1	S396 E397 L398 N402 N403 V452 F453	S396-A400 VanDerWaalsContact O-CB 3.32Å; S396-A400 WeakPolarHBondContact O-CB 3.44Å; S396-A400 PolarHBondContact O-N 3.13Å; E397-A400 PolarHBondContact O-N 3.15Å; L398-A400 VanDerWaalsContact C-N 3.35Å; A400-N402 PolarHBondContact O-N 3.12Å; A400-N403 WeakPolarHBondContact O-CB 3.42Å; A400-N403 PolarHBondContact O-N 2.88Å; A400-N403 VanDerWaalsContact O-N 3.12Å; A400-V452 HydrophobicContact CB-CG1 4.1Å; A400-F453 HydrophobicContact CB-CD1 3.57Å; A400-F453 HydrophobicContact CB-CE1 3.82Å; A400-F453 HydrophobicContact CB-CG 4.19Å
401	A	94.3	Very high	93.9	Very high	29 Å²	29	43.5 Å²	43.5	24%	0.24	24%	0.239	C	C	.	.	H	α-helix	trans	-67.3	-24.6	177.7	0	0	0	0	0	113.3	E397 L398 N403 F406 K407 F453	E397-A401 VanDerWaalsContact O-CB 3.28Å; E397-A401 WeakPolarHBondContact O-CB 3.47Å; E397-A401 PolarHBondContact O-N 3.43Å; L398-A401 PolarHBondContact O-N 3.17Å; A401-N403 VanDerWaalsContact C-N 3.3Å; A401-F406 HydrophobicContact CB-CE1 4.37Å; A401-K407 WeakPolarHBondContact O-CE 3.36Å; A401-K407 WeakPolarHBondContact O-CG 3.34Å; A401-F453 HydrophobicContact CB-CE1 4.25Å; A401-F453 HydrophobicContact CB-CZ 4.31Å
402	N	94.1	Very high	93.8	Very high	23 Å²	23	45.5 Å²	45.5	12%	0.123	25%	0.247	C	C	.	.	H	α-helix	trans	-79	-11.7	174.5	-81.2	-34.8	0	0	0	113.7	Q62 V63 L398 I399 A400 P404 K407	Q62-N402 WeakPolarHBondContact CA-OD1 3.49Å; V63-N402 PolarHBondContact N-OD1 3.27Å; V63-N402 PolarHBondContact O-ND2 3.01Å; L398-N402 VanDerWaalsContact O-CB 3.31Å; L398-N402 WeakPolarHBondContact O-CB 3.31Å; L398-N402 VanDerWaalsContact O-CG 3.29Å; L398-N402 PolarHBondContact O-N 3.1Å; L398-N402 PolarHBondContact O-ND2 3.36Å; L398-N402 VanDerWaalsContact O-ND2 3.17Å; I399-N402 PolarHBondContact O-N 2.85Å; A400-N402 PolarHBondContact O-N 3.12Å; N402-P404 WeakPolarHBondContact O-CD 3.23Å; N402-K407 PolarHBondContact OD1-NZ 3.49Å
403	N	91.9	Very high	93.8	Very high	57 Å²	57	44.5 Å²	44.5	31%	0.305	24%	0.24	S	C	.	.			trans	-57.2	124	177.9	-179.2	-58.9	0	0	0	110.6	I399 A400 A401 D405 F406 K407 V452	I399-N403 PolarHBondContact O-N 2.91Å; A400-N403 WeakPolarHBondContact O-CB 3.42Å; A400-N403 PolarHBondContact O-N 2.88Å; A400-N403 VanDerWaalsContact O-N 3.12Å; A401-N403 VanDerWaalsContact C-N 3.3Å; N403-D405 VanDerWaalsContact C-N 3.34Å; N403-D405 PolarHBondContact O-N 2.82Å; N403-D405 WeakPolarHBondContact OD1-CA 3.47Å; N403-D405 VanDerWaalsContact OD1-CB 3.29Å; N403-D405 WeakPolarHBondContact OD1-CB 3.24Å; N403-D405 PolarHBondContact OD1-N 2.85Å; N403-F406 HydrophobicContact CB-CB 3.97Å; N403-F406 WeakPolarHBondContact O-CB 3.23Å; N403-F406 PolarHBondContact O-N 3.47Å; N403-F406 PolarHBondContact OD1-N 2.89Å; N403-F406 VanDerWaalsContact OD1-N 3.1Å; N403-K407 PolarHBondContact O-N 2.86Å; N403-K407 VanDerWaalsContact O-N 3.1Å; N403-V452 HydrophobicContact CB-CG1 4.27Å
404	P	89.3	Confident	93.7	Very high	77 Å²	77	51.1 Å²	51.1	50%	0.5	26%	0.263	S	S	.	.	H	α-helix	trans	-57	-43.4	-179.1	-27.4	35.6	0	0	0	113.6	N402 F406 K407 I408	N402-P404 WeakPolarHBondContact O-CD 3.23Å; P404-F406 VanDerWaalsContact C-N 3.31Å; P404-F406 PolarHBondContact O-N 3.38Å; P404-K407 PolarHBondContact O-N 3.49Å; P404-K407 VanDerWaalsContact O-N 3.14Å; P404-I408 VanDerWaalsContact O-CG1 3.25Å; P404-I408 WeakPolarHBondContact O-CG1 3.34Å; P404-I408 PolarHBondContact O-N 3.19Å
405	D	89.6	Confident	93.5	Very high	99 Å²	99	53 Å²	53	53%	0.529	27%	0.273	S	S	.	.	H	α-helix	trans	-63.3	-39.1	178.6	-60	-35.6	0	0	0	111.3	N403 K407 I408 N409	N403-D405 VanDerWaalsContact C-N 3.34Å; N403-D405 PolarHBondContact O-N 2.82Å; N403-D405 WeakPolarHBondContact OD1-CA 3.47Å; N403-D405 VanDerWaalsContact OD1-CB 3.29Å; N403-D405 WeakPolarHBondContact OD1-CB 3.24Å; N403-D405 PolarHBondContact OD1-N 2.85Å; D405-K407 PolarHBondContact O-N 3.14Å; D405-I408 PolarHBondContact O-N 3.15Å; D405-N409 VanDerWaalsContact O-CB 3.23Å; D405-N409 WeakPolarHBondContact O-CB 3.38Å; D405-N409 PolarHBondContact O-N 3.31Å; D405-N409 PolarHBondContact O-ND2 2.95Å
406	F	92.1	Very high	93.5	Very high	22 Å²	22	51.6 Å²	51.6	10%	0.096	27%	0.266	C	S	.	.	H	α-helix	trans	-59.2	-47.5	173.1	172.3	-102.5	0	0	0	111.5	A401 N403 P404 N409 L410 V452 F453	A401-F406 HydrophobicContact CB-CE1 4.37Å; N403-F406 HydrophobicContact CB-CB 3.97Å; N403-F406 WeakPolarHBondContact O-CB 3.23Å; N403-F406 PolarHBondContact O-N 3.47Å; N403-F406 PolarHBondContact OD1-N 2.89Å; N403-F406 VanDerWaalsContact OD1-N 3.1Å; P404-F406 VanDerWaalsContact C-N 3.31Å; P404-F406 PolarHBondContact O-N 3.38Å; F406-N409 PolarHBondContact O-N 2.87Å; F406-L410 HydrophobicContact CE1-CD2 4.19Å; F406-L410 HydrophobicContact CZ-CD2 4.14Å; F406-L410 WeakPolarHBondContact O-CB 3.29Å; F406-L410 PolarHBondContact O-N 3.44Å; F406-V452 HydrophobicContact CB-CG1 4.08Å; F406-V452 HydrophobicContact CB-CG2 4.24Å; F406-V452 HydrophobicContact CD2-CB 4.27Å; F406-V452 HydrophobicContact CD2-CG1 4.47Å; F406-V452 HydrophobicContact CD2-CG2 4.29Å; F406-V452 HydrophobicContact CG-CG1 4.46Å; F406-F453 HydrophobicContact CD2-CE2 4.05Å; F406-F453 HydrophobicContact CE1-CE2 4.43Å; F406-F453 HydrophobicContact CE1-CZ 4.11Å; F406-F453 HydrophobicContact CE2-CD2 4.49Å; F406-F453 AromaticContact CE2-CE2 3.42Å; F406-F453 HydrophobicContact CE2-CE2 3.42Å; F406-F453 VanDerWaalsContact CE2-CE2 3.42Å; F406-F453 AromaticContact CE2-CZ 3.93Å; F406-F453 HydrophobicContact CE2-CZ 3.93Å; F406-F453 AromaticContact CZ-CE2 3.64Å; F406-F453 HydrophobicContact CZ-CE2 3.64Å; F406-F453 AromaticContact CZ-CZ 3.68Å; F406-F453 HydrophobicContact CZ-CZ 3.68Å
407	K	90.8	Very high	93.6	Very high	35 Å²	35	50.7 Å²	50.7	15%	0.152	25%	0.253	C	S	.	.	H	α-helix	trans	-67.7	-39.3	-179.4	-58.3	-174	-173.2	-179.4	0	112.1	L60 D61 A401 N402 N403 P404 D405 L410 K411	L60-K407 HydrophobicContact CB-CD 3.68Å; L60-K407 HydrophobicContact CD1-CB 3.29Å; L60-K407 HydrophobicContact CD1-CD 3.28Å; L60-K407 HydrophobicContact CD1-CG 3.88Å; L60-K407 HydrophobicContact CG-CD 4.06Å; L60-K407 PolarHBondContact O-NZ 3.37Å; D61-K407 PolarHBondContact O-NZ 2.94Å; A401-K407 WeakPolarHBondContact O-CE 3.36Å; A401-K407 WeakPolarHBondContact O-CG 3.34Å; N402-K407 PolarHBondContact OD1-NZ 3.49Å; N403-K407 PolarHBondContact O-N 2.86Å; N403-K407 VanDerWaalsContact O-N 3.1Å; P404-K407 PolarHBondContact O-N 3.49Å; P404-K407 VanDerWaalsContact O-N 3.14Å; D405-K407 PolarHBondContact O-N 3.14Å; K407-L410 PolarHBondContact O-N 3.1Å; K407-K411 PolarHBondContact O-N 2.97Å
408	I	89.8	Confident	93.5	Very high	52 Å²	52	55.7 Å²	55.7	27%	0.267	28%	0.275	S	S	.	.	H	α-helix	trans	-54.8	-54.9	171	-68.1	160.1	0	0	0	109.6	I57 P404 D405 L410 K411 R412	I57-I408 HydrophobicContact CD1-CB 3.91Å; I57-I408 HydrophobicContact CD1-CD1 4.32Å; I57-I408 HydrophobicContact CD1-CG1 3.15Å; I57-I408 HydrophobicContact CD1-CG2 4.43Å; I57-I408 HydrophobicContact CG1-CG1 4.35Å; I57-I408 HydrophobicContact CG2-CG1 4.23Å; P404-I408 VanDerWaalsContact O-CG1 3.25Å; P404-I408 WeakPolarHBondContact O-CG1 3.34Å; P404-I408 PolarHBondContact O-N 3.19Å; D405-I408 PolarHBondContact O-N 3.15Å; I408-L410 VanDerWaalsContact C-N 3.31Å; I408-L410 PolarHBondContact O-N 3.27Å; I408-K411 PolarHBondContact O-N 3.28Å; I408-R412 WeakPolarHBondContact O-CB 3.15Å; I408-R412 PolarHBondContact O-N 3.04Å
409	N	92.5	Very high	93.5	Very high	49 Å²	49	55.4 Å²	55.4	26%	0.262	27%	0.273	S	S	.	.	H	α-helix	trans	-64.4	-36.3	-175.8	-73.4	-31.9	0	0	0	112	D405 F406 R412 L413 L445	D405-N409 VanDerWaalsContact O-CB 3.23Å; D405-N409 WeakPolarHBondContact O-CB 3.38Å; D405-N409 PolarHBondContact O-N 3.31Å; D405-N409 PolarHBondContact O-ND2 2.95Å; F406-N409 PolarHBondContact O-N 2.87Å; N409-R412 PolarHBondContact O-N 3.47Å; N409-L413 VanDerWaalsContact O-CB 3.23Å; N409-L413 WeakPolarHBondContact O-CB 3.21Å; N409-L413 PolarHBondContact O-N 3Å; N409-L445 HydrophobicContact CB-CD2 3.96Å
410	L	92	Very high	93.6	Very high	56 Å²	56	51 Å²	51	29%	0.293	25%	0.251	S	S	.	.	H	α-helix	trans	-67.7	-42.4	175.6	-175.5	62.4	0	0	0	112.2	F406 K407 I408 L413 R414	F406-L410 HydrophobicContact CE1-CD2 4.19Å; F406-L410 HydrophobicContact CZ-CD2 4.14Å; F406-L410 WeakPolarHBondContact O-CB 3.29Å; F406-L410 PolarHBondContact O-N 3.44Å; K407-L410 PolarHBondContact O-N 3.1Å; I408-L410 VanDerWaalsContact C-N 3.31Å; I408-L410 PolarHBondContact O-N 3.27Å; L410-L413 PolarHBondContact O-N 2.97Å; L410-R414 WeakPolarHBondContact O-CG 3.25Å; L410-R414 PolarHBondContact O-N 3.44Å; L410-R414 VanDerWaalsContact O-N 3.1Å
411	K	91.2	Very high	93.6	Very high	77 Å²	77	57.3 Å²	57.3	34%	0.335	28%	0.278	S	S	.	.	H	α-helix	trans	-60	-49.3	173.5	-178.9	-178.4	179.2	-173.2	0	110.1	K52 K407 I408 L413 R414 M415	K52-K411 WeakPolarHBondContact O-CE 3.14Å; K52-K411 PolarHBondContact O-NZ 3.04Å; K407-K411 PolarHBondContact O-N 2.97Å; I408-K411 PolarHBondContact O-N 3.28Å; K411-L413 PolarHBondContact O-N 3.2Å; K411-R414 PolarHBondContact O-N 3.49Å; K411-M415 HydrophobicContact CG-SD 4.23Å; K411-M415 WeakPolarHBondContact O-CG 3.41Å; K411-M415 PolarHBondContact O-N 2.82Å; K411-M415 VanDerWaalsContact O-N 3.08Å
412	R	94.6	Very high	93.7	Very high	42 Å²	42	60 Å²	60	16%	0.158	29%	0.286	C	S	.	.	H	α-helix	trans	-57.6	-47.5	177.6	-171	177.9	-177.8	80.5	10.9	111.7	Y46 L49 N50 I408 N409 R414 M415 L416 E441 L445	Y46-R412 PolarHBondContact OH-NH2 3.47Å; L49-R412 HydrophobicContact CD2-CG 4.15Å; N50-R412 VanDerWaalsContact OD1-CZ 3.27Å; N50-R412 PolarHBondContact OD1-NH1 3.22Å; N50-R412 PolarHBondContact OD1-NH2 3.36Å; I408-R412 WeakPolarHBondContact O-CB 3.15Å; I408-R412 PolarHBondContact O-N 3.04Å; N409-R412 PolarHBondContact O-N 3.47Å; R412-R414 PolarHBondContact O-N 2.98Å; R412-M415 PolarHBondContact O-N 3.19Å; R412-L416 VanDerWaalsContact O-CB 3.28Å; R412-L416 WeakPolarHBondContact O-CB 3.32Å; R412-L416 PolarHBondContact O-N 3.4Å; R412-E441 IonicContact CZ-OE1 2.71Å; R412-E441 IonicContact NE-OE1 2.8Å; R412-E441 PolarHBondContact NE-OE1 3.29Å; R412-E441 IonicContact NH2-OE1 2.71Å; R412-E441 PolarHBondContact NH2-OE1 3.32Å; R412-L445 HydrophobicContact CB-CD1 4.38Å; R412-L445 HydrophobicContact CG-CD1 3.96Å
413	L	95.4	Very high	93.8	Very high	15 Å²	15	59.1 Å²	59.1	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-56.5	-49.5	178.2	175.4	60.6	0	0	0	111.6	N409 L410 K411 M415 L416 E417 R442 L445 R446	N409-L413 VanDerWaalsContact O-CB 3.23Å; N409-L413 WeakPolarHBondContact O-CB 3.21Å; N409-L413 PolarHBondContact O-N 3Å; L410-L413 PolarHBondContact O-N 2.97Å; K411-L413 PolarHBondContact O-N 3.2Å; L413-M415 PolarHBondContact O-N 3Å; L413-L416 PolarHBondContact O-N 2.95Å; L413-E417 HydrophobicContact CD1-CG 4.11Å; L413-E417 WeakPolarHBondContact O-CB 3.28Å; L413-E417 WeakPolarHBondContact O-CG 3.41Å; L413-E417 PolarHBondContact O-N 2.98Å; L413-R442 HydrophobicContact CD1-CG 3.72Å; L413-L445 HydrophobicContact CB-CB 4.29Å; L413-L445 HydrophobicContact CB-CD1 4.31Å; L413-L445 HydrophobicContact CD1-CB 4.17Å; L413-R446 HydrophobicContact CD1-CG 3.9Å; L413-R446 HydrophobicContact CD2-CG 3.85Å
414	R	93.2	Very high	93.9	Very high	168 Å²	168	61.8 Å²	61.8	63%	0.634	29%	0.292	S	S	*	.	H	α-helix	trans	-61.6	-43	179.3	-72.3	178.7	175.9	-179.4	-0.7	112.4	L410 K411 R412 L416 K418	L410-R414 WeakPolarHBondContact O-CG 3.25Å; L410-R414 PolarHBondContact O-N 3.44Å; L410-R414 VanDerWaalsContact O-N 3.1Å; K411-R414 PolarHBondContact O-N 3.49Å; R412-R414 PolarHBondContact O-N 2.98Å; R414-L416 VanDerWaalsContact C-N 3.35Å; R414-K418 PolarHBondContact O-N 3.24Å
415	M	95	Very high	94.2	Very high	46 Å²	46	65.4 Å²	65.4	23%	0.227	30%	0.301	C	S	.	.	H	α-helix	trans	-66	-39.8	177.6	-67.4	-177.3	68.8	0	0	111.7	L49 K52 K411 R412 L413 K418 L419	L49-M415 HydrophobicContact CB-CE 4.13Å; L49-M415 HydrophobicContact CD1-CB 3.53Å; L49-M415 HydrophobicContact CG-CB 3.8Å; L49-M415 HydrophobicContact CG-CE 4.03Å; L49-M415 HydrophobicContact CG-SD 4.47Å; K52-M415 HydrophobicContact CB-CE 3.72Å; K52-M415 HydrophobicContact CB-SD 4.3Å; K52-M415 HydrophobicContact CD-CE 3.6Å; K52-M415 HydrophobicContact CG-CE 4.3Å; K411-M415 HydrophobicContact CG-SD 4.23Å; K411-M415 WeakPolarHBondContact O-CG 3.41Å; K411-M415 PolarHBondContact O-N 2.82Å; K411-M415 VanDerWaalsContact O-N 3.08Å; R412-M415 PolarHBondContact O-N 3.19Å; L413-M415 PolarHBondContact O-N 3Å; M415-K418 WeakPolarHBondContact O-CB 3.46Å; M415-K418 PolarHBondContact O-N 2.69Å; M415-L419 PolarHBondContact O-N 3.09Å; M415-L419 VanDerWaalsContact O-N 3.08Å
416	L	97.4	Very high	94.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.7	-42.2	179.1	-175.7	61.4	0	0	0	111.3	Y46 L49 R412 L413 R414 K418 L419 I420 W438 E441 R442 L445	Y46-L416 HydrophobicContact CD2-CD1 4.39Å; Y46-L416 HydrophobicContact CE2-CD1 4.14Å; L49-L416 HydrophobicContact CD1-CB 4.14Å; L49-L416 HydrophobicContact CD1-CD1 4.49Å; R412-L416 VanDerWaalsContact O-CB 3.28Å; R412-L416 WeakPolarHBondContact O-CB 3.32Å; R412-L416 PolarHBondContact O-N 3.4Å; L413-L416 PolarHBondContact O-N 2.95Å; R414-L416 VanDerWaalsContact C-N 3.35Å; L416-K418 VanDerWaalsContact C-N 3.28Å; L416-K418 PolarHBondContact O-N 3.28Å; L416-L419 PolarHBondContact O-N 3.15Å; L416-L419 VanDerWaalsContact O-N 3.14Å; L416-I420 HydrophobicContact CG-CD1 4.01Å; L416-I420 WeakPolarHBondContact O-CG1 3.5Å; L416-I420 PolarHBondContact O-N 2.79Å; L416-W438 HydrophobicContact CD1-CB 3.91Å; L416-W438 HydrophobicContact CD1-CD2 4.33Å; L416-W438 HydrophobicContact CD1-CG 3.91Å; L416-E441 HydrophobicContact CD2-CB 3.96Å; L416-E441 HydrophobicContact CD2-CG 3.72Å; L416-R442 HydrophobicContact CD2-CB 4.01Å; L416-L445 HydrophobicContact CD2-CD1 3.97Å
417	E	96.7	Very high	94.4	Very high	57 Å²	57	67.4 Å²	67.4	27%	0.266	31%	0.308	S	S	.	.	H	α-helix	trans	-59.1	-39.4	174.4	-75.9	-176.6	143.7	0	0	111.9	L413 I420 Q421 R442 R446	L413-E417 HydrophobicContact CD1-CG 4.11Å; L413-E417 WeakPolarHBondContact O-CB 3.28Å; L413-E417 WeakPolarHBondContact O-CG 3.41Å; L413-E417 PolarHBondContact O-N 2.98Å; E417-I420 PolarHBondContact O-N 3.29Å; E417-Q421 WeakPolarHBondContact O-CB 3.43Å; E417-Q421 PolarHBondContact O-N 3.22Å; E417-R442 HydrophobicContact CG-CG 4.19Å; E417-R442 IonicContact OE1-CZ 3.81Å; E417-R442 VanDerWaalsContact OE1-CZ 3.22Å; E417-R442 IonicContact OE1-NE 3.42Å; E417-R442 PolarHBondContact OE1-NE 2.8Å; E417-R442 IonicContact OE1-NH2 2.71Å; E417-R442 PolarHBondContact OE1-NH2 3.13Å; E417-R446 IonicContact OE1-NH1 2.9Å
418	K	95.5	Very high	94.6	Very high	126 Å²	126	66.4 Å²	66.4	55%	0.548	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-45.1	172.9	-177	174.2	-179.8	172	0	112.2	R414 M415 L416 I420 Q421 E422	R414-K418 PolarHBondContact O-N 3.24Å; M415-K418 WeakPolarHBondContact O-CB 3.46Å; M415-K418 PolarHBondContact O-N 2.69Å; L416-K418 VanDerWaalsContact C-N 3.28Å; L416-K418 PolarHBondContact O-N 3.28Å; K418-I420 VanDerWaalsContact C-N 3.34Å; K418-I420 PolarHBondContact O-N 3.25Å; K418-Q421 PolarHBondContact O-N 3.44Å; K418-E422 WeakPolarHBondContact CE-OE1 3.38Å; K418-E422 WeakPolarHBondContact O-CG 3.25Å; K418-E422 PolarHBondContact O-N 3.21Å
419	L	96.6	Very high	94.8	Very high	16 Å²	16	69.5 Å²	69.5	8%	0.084	32%	0.322	C	S	.	.	H	α-helix	trans	-61.8	-43	176.1	-69.1	-172.8	0	0	0	112	R45 Y46 L49 M415 L416 E422 N423 W438	R45-L419 HydrophobicContact CB-CD2 3.78Å; R45-L419 HydrophobicContact CG-CD2 4.5Å; Y46-L419 HydrophobicContact CD2-CD1 4.31Å; L49-L419 HydrophobicContact CB-CD1 4.07Å; L49-L419 HydrophobicContact CD1-CD1 3.55Å; L49-L419 HydrophobicContact CD1-CG 4.15Å; L49-L419 HydrophobicContact CG-CD1 4.48Å; M415-L419 PolarHBondContact O-N 3.09Å; M415-L419 VanDerWaalsContact O-N 3.08Å; L416-L419 PolarHBondContact O-N 3.15Å; L416-L419 VanDerWaalsContact O-N 3.14Å; L419-E422 PolarHBondContact O-N 3.1Å; L419-N423 PolarHBondContact O-N 3.42Å; L419-N423 PolarHBondContact O-ND2 2.88Å; L419-W438 HydrophobicContact CB-CE3 4.26Å; L419-W438 HydrophobicContact CB-CH2 4.4Å; L419-W438 HydrophobicContact CB-CZ3 3.89Å; L419-W438 HydrophobicContact CD1-CH2 4.46Å
420	I	97.9	Very high	94.9	Very high	14 Å²	14	73 Å²	73	7%	0.072	34%	0.337	C	S	.	.	H	α-helix	trans	-60.1	-48	176	-70.6	164.1	0	0	0	109.9	L416 E417 K418 E422 N423 Q424 L435 W438 L439 R442	L416-I420 HydrophobicContact CG-CD1 4.01Å; L416-I420 WeakPolarHBondContact O-CG1 3.5Å; L416-I420 PolarHBondContact O-N 2.79Å; E417-I420 PolarHBondContact O-N 3.29Å; K418-I420 VanDerWaalsContact C-N 3.34Å; K418-I420 PolarHBondContact O-N 3.25Å; I420-E422 VanDerWaalsContact C-N 3.3Å; I420-E422 PolarHBondContact O-N 3.23Å; I420-N423 CarbonylContact O-C 3.51Å; I420-N423 PolarHBondContact O-N 3.5Å; I420-N423 VanDerWaalsContact O-N 3.11Å; I420-Q424 WeakPolarHBondContact O-CG 3.5Å; I420-Q424 PolarHBondContact O-N 3.42Å; I420-L435 HydrophobicContact CB-CD1 4.41Å; I420-L435 HydrophobicContact CG1-CD1 4.23Å; I420-L435 HydrophobicContact CG2-CD1 4.17Å; I420-W438 HydrophobicContact CD1-CB 4.11Å; I420-W438 HydrophobicContact CG1-CB 3.91Å; I420-W438 HydrophobicContact CG1-CE3 4.24Å; I420-L439 HydrophobicContact CD1-CD2 4.24Å; I420-L439 HydrophobicContact CG2-CD2 4.07Å; I420-R442 HydrophobicContact CD1-CB 3.99Å; I420-R442 HydrophobicContact CD1-CG 4.38Å
421	Q	96.1	Very high	95.1	Very high	143 Å²	143	70.3 Å²	70.3	67%	0.668	32%	0.323	S	S	*	.	H	α-helix	trans	-58.4	-40.3	179.3	-173.5	177	4.2	0	0	112.5	E417 K418 N423	E417-Q421 WeakPolarHBondContact O-CB 3.43Å; E417-Q421 PolarHBondContact O-N 3.22Å; K418-Q421 PolarHBondContact O-N 3.44Å; Q421-N423 VanDerWaalsContact C-N 3.29Å; Q421-N423 PolarHBondContact O-N 2.89Å
422	E	95.4	Very high	95.3	Very high	87 Å²	87	70.6 Å²	70.6	41%	0.407	32%	0.324	S	S	.	.	H	α-helix	trans	-74.5	-14.5	179	-70	172.1	-178.9	0	0	114.1	R45 K418 L419 I420	R45-E422 IonicContact CZ-OE2 2.94Å; R45-E422 IonicContact NH1-OE2 2.97Å; R45-E422 PolarHBondContact NH1-OE2 3.1Å; K418-E422 WeakPolarHBondContact CE-OE1 3.38Å; K418-E422 WeakPolarHBondContact O-CG 3.25Å; K418-E422 PolarHBondContact O-N 3.21Å; L419-E422 PolarHBondContact O-N 3.1Å; I420-E422 VanDerWaalsContact C-N 3.3Å; I420-E422 PolarHBondContact O-N 3.23Å
423	N	96	Very high	95.4	Very high	3 Å²	3	73.2 Å²	73.2	2%	0.016	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	24.5	-172.2	-62.2	-86.6	0	0	0	113.2	R41 M42 L419 I420 Q421 H425 V426 W438	R41-N423 PolarHBondContact NH2-OD1 3.13Å; R41-N423 VanDerWaalsContact NH2-OD1 3.15Å; M42-N423 HydrophobicContact CE-CB 4.11Å; M42-N423 WeakPolarHBondContact CG-OD1 3.44Å; M42-N423 HydrophobicContact SD-CB 4.47Å; L419-N423 PolarHBondContact O-N 3.42Å; L419-N423 PolarHBondContact O-ND2 2.88Å; I420-N423 CarbonylContact O-C 3.51Å; I420-N423 PolarHBondContact O-N 3.5Å; I420-N423 VanDerWaalsContact O-N 3.11Å; Q421-N423 VanDerWaalsContact C-N 3.29Å; Q421-N423 PolarHBondContact O-N 2.89Å; N423-H425 PolarHBondContact O-N 3.43Å; N423-V426 HydrophobicContact CB-CG1 3.91Å; N423-V426 WeakPolarHBondContact O-CG1 3.39Å; N423-W438 HydrophobicContact CB-CZ3 4.28Å
424	Q	95.3	Very high	95.4	Very high	114 Å²	114	73.8 Å²	73.8	53%	0.533	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.7	179.4	-62.5	-170.7	-3.5	0	0	114.1	I420	I420-Q424 WeakPolarHBondContact O-CG 3.5Å; I420-Q424 PolarHBondContact O-N 3.42Å
425	H	94.3	Very high	95.6	Very high	152 Å²	152	66.9 Å²	66.9	70%	0.704	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	29.5	-171.8	-56.3	-52.4	0	0	0	112.9	N423 H427	N423-H425 PolarHBondContact O-N 3.43Å; H425-H427 PolarHBondContact O-CE1 2.88Å; H425-H427 VanDerWaalsContact O-CE1 3.27Å; H425-H427 PolarHBondContact O-ND1 3.16Å
426	V	94.2	Very high	95.7	Very high	11 Å²	11	70 Å²	70	7%	0.067	33%	0.334	C	S	.	.			trans	-62.8	147.2	177.6	-65.9	0	0	0	0	111.8	E38 M42 N423 A431 K432 L435	E38-V426 HydrophobicContact CG-CB 4.42Å; E38-V426 HydrophobicContact CG-CG1 4.13Å; E38-V426 WeakPolarHBondContact OE1-CA 3.32Å; E38-V426 VanDerWaalsContact OE1-CB 3.32Å; E38-V426 WeakPolarHBondContact OE1-CB 3.42Å; E38-V426 VanDerWaalsContact OE1-CG1 3.25Å; E38-V426 WeakPolarHBondContact OE1-CG1 3.31Å; M42-V426 HydrophobicContact CE-CG1 4.25Å; M42-V426 HydrophobicContact SD-CG1 3.6Å; N423-V426 HydrophobicContact CB-CG1 3.91Å; N423-V426 WeakPolarHBondContact O-CG1 3.39Å; V426-A431 HydrophobicContact CB-CB 3.7Å; V426-A431 HydrophobicContact CG1-CB 4.09Å; V426-A431 HydrophobicContact CG2-CB 3.95Å; V426-K432 HydrophobicContact CG2-CG 3.97Å; V426-L435 HydrophobicContact CG2-CD2 4.23Å
427	H	93.5	Very high	95.8	Very high	152 Å²	152	76.7 Å²	76.7	70%	0.704	36%	0.362	S	S	*	.			trans	-104.3	-36.6	-169.8	-61.6	-53	0	0	0	113	E38 H425 K432	E38-H427 PolarHBondContact OE2-N 2.62Å; H425-H427 PolarHBondContact O-CE1 2.88Å; H425-H427 VanDerWaalsContact O-CE1 3.27Å; H425-H427 PolarHBondContact O-ND1 3.16Å; H427-K432 VanDerWaalsContact O-CE 3.3Å; H427-K432 WeakPolarHBondContact O-CE 3.26Å; H427-K432 PolarHBondContact O-NZ 2.87Å; H427-K432 VanDerWaalsContact O-NZ 3.14Å
428	T	94.4	Very high	95.8	Very high	15 Å²	15	74.1 Å²	74.1	9%	0.092	35%	0.35	C	S	.	.	S	Bend	trans	-76.7	148.4	-177.8	72.5	0	0	0	0	111.8	N35 E38 E430 A431 K432	N35-T428 HydrophobicContact CB-CG2 4.12Å; E38-T428 PolarHBondContact OE2-N 3.33Å; T428-E430 VanDerWaalsContact C-N 3.29Å; T428-E430 PolarHBondContact O-N 2.85Å; T428-A431 PolarHBondContact O-N 2.94Å; T428-A431 WeakPolarHBondContact OG1-CB 3.43Å; T428-A431 PolarHBondContact OG1-N 3.47Å; T428-A431 VanDerWaalsContact OG1-N 3.13Å; T428-K432 WeakPolarHBondContact O-CG 3.49Å; T428-K432 PolarHBondContact O-N 3.44Å
429	D	94.1	Very high	95.9	Very high	116 Å²	116	71.1 Å²	71.1	62%	0.62	34%	0.34	S	S	*	.	H	α-helix	trans	-67.6	-32.6	179	-63.1	-28.6	0	0	0	111.8	K432 L433	D429-K432 PolarHBondContact O-N 3.49Å; D429-K432 IonicContact OD1-NZ 3.71Å; D429-K432 PolarHBondContact OD1-NZ 3.45Å; D429-L433 WeakPolarHBondContact O-CB 3.31Å; D429-L433 VanDerWaalsContact O-CG 3.31Å; D429-L433 WeakPolarHBondContact O-CG 3.32Å; D429-L433 PolarHBondContact O-N 3.16Å
430	E	94.7	Very high	96	Very high	122 Å²	122	75.5 Å²	75.5	57%	0.57	36%	0.363	S	S	*	.	H	α-helix	trans	-61.8	-42.9	172.3	-64.6	179.5	-177.6	0	0	112.3	T428 L433 L434	T428-E430 VanDerWaalsContact C-N 3.29Å; T428-E430 PolarHBondContact O-N 2.85Å; E430-L433 PolarHBondContact O-N 2.93Å; E430-L434 PolarHBondContact O-N 2.83Å
431	A	95.3	Very high	96	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-68.6	-38.8	177.4	0	0	0	0	0	112	E38 M42 V426 T428 L434 L435	E38-A431 HydrophobicContact CG-CB 3.96Å; M42-A431 HydrophobicContact SD-CB 3.63Å; V426-A431 HydrophobicContact CB-CB 3.7Å; V426-A431 HydrophobicContact CG1-CB 4.09Å; V426-A431 HydrophobicContact CG2-CB 3.95Å; T428-A431 PolarHBondContact O-N 2.94Å; T428-A431 WeakPolarHBondContact OG1-CB 3.43Å; T428-A431 PolarHBondContact OG1-N 3.47Å; T428-A431 VanDerWaalsContact OG1-N 3.13Å; A431-L434 PolarHBondContact O-N 3.02Å; A431-L435 WeakPolarHBondContact O-CB 3.3Å; A431-L435 PolarHBondContact O-N 2.87Å
432	K	96.2	Very high	96.1	Very high	83 Å²	83	72.5 Å²	72.5	36%	0.361	35%	0.347	S	S	.	.	H	α-helix	trans	-61.5	-45	173.5	-68.7	171.8	-157.9	150.3	0	111.6	V426 H427 T428 D429 L434 L435 E436	V426-K432 HydrophobicContact CG2-CG 3.97Å; H427-K432 VanDerWaalsContact O-CE 3.3Å; H427-K432 WeakPolarHBondContact O-CE 3.26Å; H427-K432 PolarHBondContact O-NZ 2.87Å; H427-K432 VanDerWaalsContact O-NZ 3.14Å; T428-K432 WeakPolarHBondContact O-CG 3.49Å; T428-K432 PolarHBondContact O-N 3.44Å; D429-K432 PolarHBondContact O-N 3.49Å; D429-K432 IonicContact OD1-NZ 3.71Å; D429-K432 PolarHBondContact OD1-NZ 3.45Å; K432-L434 VanDerWaalsContact C-N 3.31Å; K432-L434 PolarHBondContact O-N 2.95Å; K432-L435 WeakPolarHBondContact O-CB 3.15Å; K432-L435 PolarHBondContact O-N 3.1Å; K432-L435 VanDerWaalsContact O-N 3.16Å; K432-E436 WeakPolarHBondContact O-CG 3.45Å; K432-E436 PolarHBondContact O-N 3.22Å
433	L	96.4	Very high	96.1	Very high	98 Å²	98	71.3 Å²	71.3	51%	0.513	34%	0.343	S	S	.	.	H	α-helix	trans	-62.3	-37.7	175.9	-74.3	170.5	0	0	0	112.2	D429 E430 K437	D429-L433 WeakPolarHBondContact O-CB 3.31Å; D429-L433 VanDerWaalsContact O-CG 3.31Å; D429-L433 WeakPolarHBondContact O-CG 3.32Å; D429-L433 PolarHBondContact O-N 3.16Å; E430-L433 PolarHBondContact O-N 2.93Å; L433-K437 WeakPolarHBondContact O-CG 3.27Å; L433-K437 PolarHBondContact O-N 2.93Å
434	L	96.3	Very high	96.1	Very high	27 Å²	27	73.4 Å²	73.4	14%	0.141	36%	0.361	C	S	.	.	H	α-helix	trans	-66.7	-40.9	173.5	-179	59.4	0	0	0	111.7	M39 M42 Q43 E430 A431 K432 E436 K437 W438	M39-L434 HydrophobicContact CE-CB 4.14Å; M39-L434 HydrophobicContact CE-CD2 3.94Å; M39-L434 HydrophobicContact SD-CB 4.19Å; M39-L434 HydrophobicContact SD-CD2 3.62Å; M42-L434 HydrophobicContact CB-CD2 3.77Å; M42-L434 HydrophobicContact CE-CB 4.31Å; M42-L434 HydrophobicContact CE-CD2 4.08Å; M42-L434 HydrophobicContact CE-CG 4.18Å; Q43-L434 HydrophobicContact CG-CD2 4.14Å; E430-L434 PolarHBondContact O-N 2.83Å; A431-L434 PolarHBondContact O-N 3.02Å; K432-L434 VanDerWaalsContact C-N 3.31Å; K432-L434 PolarHBondContact O-N 2.95Å; L434-E436 VanDerWaalsContact C-N 3.34Å; L434-E436 PolarHBondContact O-N 2.86Å; L434-K437 WeakPolarHBondContact O-CB 3.36Å; L434-K437 PolarHBondContact O-N 2.97Å; L434-W438 HydrophobicContact CD2-CZ2 3.83Å; L434-W438 HydrophobicContact CG-CZ2 3.99Å; L434-W438 PolarHBondContact O-N 2.9Å
435	L	97	Very high	96.1	Very high	22 Å²	22	68.9 Å²	68.9	12%	0.115	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-40.6	176.2	-177.7	64.6	0	0	0	111.9	M42 I420 V426 A431 K432 K437 W438 L439	M42-L435 HydrophobicContact CE-CB 4.37Å; I420-L435 HydrophobicContact CB-CD1 4.41Å; I420-L435 HydrophobicContact CG1-CD1 4.23Å; I420-L435 HydrophobicContact CG2-CD1 4.17Å; V426-L435 HydrophobicContact CG2-CD2 4.23Å; A431-L435 WeakPolarHBondContact O-CB 3.3Å; A431-L435 PolarHBondContact O-N 2.87Å; K432-L435 WeakPolarHBondContact O-CB 3.15Å; K432-L435 PolarHBondContact O-N 3.1Å; K432-L435 VanDerWaalsContact O-N 3.16Å; L435-K437 VanDerWaalsContact C-N 3.34Å; L435-K437 PolarHBondContact O-N 3.26Å; L435-W438 HydrophobicContact CD1-CE3 4.18Å; L435-W438 WeakPolarHBondContact O-CB 3.34Å; L435-W438 PolarHBondContact O-N 3.33Å; L435-L439 HydrophobicContact CG-CD1 4.48Å; L435-L439 WeakPolarHBondContact O-CG 3.33Å; L435-L439 PolarHBondContact O-N 3.47Å
436	E	97.5	Very high	96.2	Very high	112 Å²	112	63.3 Å²	63.3	52%	0.523	31%	0.313	S	S	.	.	H	α-helix	trans	-58.7	-44.6	173.5	-74	174.7	-179.1	0	0	111.6	K432 L434 W438 L439 D440	K432-E436 WeakPolarHBondContact O-CG 3.45Å; K432-E436 PolarHBondContact O-N 3.22Å; L434-E436 VanDerWaalsContact C-N 3.34Å; L434-E436 PolarHBondContact O-N 2.86Å; E436-W438 VanDerWaalsContact C-N 3.31Å; E436-W438 PolarHBondContact O-N 3.38Å; E436-L439 WeakPolarHBondContact O-CB 3.29Å; E436-L439 PolarHBondContact O-N 3.27Å; E436-L439 VanDerWaalsContact O-N 3.11Å; E436-D440 PolarHBondContact O-N 3.09Å
437	K	97.7	Very high	96.1	Very high	140 Å²	140	69.1 Å²	69.1	61%	0.609	33%	0.334	S	S	*	.	H	α-helix	trans	-60.3	-39.9	174.6	-68.7	175.4	-177.2	-179.9	0	112.5	L433 L434 L435 L439 D440 E441	L433-K437 WeakPolarHBondContact O-CG 3.27Å; L433-K437 PolarHBondContact O-N 2.93Å; L434-K437 WeakPolarHBondContact O-CB 3.36Å; L434-K437 PolarHBondContact O-N 2.97Å; L435-K437 VanDerWaalsContact C-N 3.34Å; L435-K437 PolarHBondContact O-N 3.26Å; K437-L439 VanDerWaalsContact C-N 3.34Å; K437-D440 PolarHBondContact O-N 2.94Å; K437-E441 WeakPolarHBondContact O-CB 3.48Å; K437-E441 PolarHBondContact O-N 3.4Å
438	W	98	Very high	96.1	Very high	3 Å²	3	63.4 Å²	63.4	1%	0.011	32%	0.316	C	S	.	.	H	α-helix	trans	-66	-36.5	175.2	-67.1	-8.9	0	0	0	112.2	M42 Y46 L416 L419 I420 N423 L434 L435 E436 R442	M42-W438 HydrophobicContact CB-CH2 3.73Å; M42-W438 HydrophobicContact CB-CZ2 4.11Å; M42-W438 HydrophobicContact CE-CE3 4.11Å; M42-W438 HydrophobicContact CE-CH2 3.58Å; M42-W438 HydrophobicContact CE-CZ2 4.16Å; M42-W438 HydrophobicContact CE-CZ3 3.55Å; M42-W438 HydrophobicContact CG-CH2 4.04Å; Y46-W438 AromaticContact CD2-CD1 3.95Å; Y46-W438 AromaticContact CD2-CE2 3.76Å; Y46-W438 HydrophobicContact CD2-CZ2 4.11Å; Y46-W438 AromaticContact CD2-NE1 3.29Å; Y46-W438 VanDerWaalsContact CD2-NE1 3.29Å; Y46-W438 AromaticContact CE2-CD1 3.87Å; Y46-W438 AromaticContact CE2-NE1 3.63Å; Y46-W438 HydrophobicContact CG-CZ2 4.13Å; Y46-W438 AromaticContact CG-NE1 3.69Å; L416-W438 HydrophobicContact CD1-CB 3.91Å; L416-W438 HydrophobicContact CD1-CD2 4.33Å; L416-W438 HydrophobicContact CD1-CG 3.91Å; L419-W438 HydrophobicContact CB-CE3 4.26Å; L419-W438 HydrophobicContact CB-CH2 4.4Å; L419-W438 HydrophobicContact CB-CZ3 3.89Å; L419-W438 HydrophobicContact CD1-CH2 4.46Å; I420-W438 HydrophobicContact CD1-CB 4.11Å; I420-W438 HydrophobicContact CG1-CB 3.91Å; I420-W438 HydrophobicContact CG1-CE3 4.24Å; N423-W438 HydrophobicContact CB-CZ3 4.28Å; L434-W438 HydrophobicContact CD2-CZ2 3.83Å; L434-W438 HydrophobicContact CG-CZ2 3.99Å; L434-W438 PolarHBondContact O-N 2.9Å; L435-W438 HydrophobicContact CD1-CE3 4.18Å; L435-W438 WeakPolarHBondContact O-CB 3.34Å; L435-W438 PolarHBondContact O-N 3.33Å; E436-W438 VanDerWaalsContact C-N 3.31Å; E436-W438 PolarHBondContact O-N 3.38Å; W438-R442 VanDerWaalsContact O-CB 3.24Å; W438-R442 WeakPolarHBondContact O-CB 3.35Å; W438-R442 PolarHBondContact O-N 2.67Å
439	L	98	Very high	96.1	Very high	64 Å²	64	63.3 Å²	63.3	34%	0.335	32%	0.316	S	S	.	.	H	α-helix	trans	-65.7	-40.1	174.7	-72	166.8	0	0	0	111.7	I420 L435 E436 K437 R442 N443	I420-L439 HydrophobicContact CD1-CD2 4.24Å; I420-L439 HydrophobicContact CG2-CD2 4.07Å; L435-L439 HydrophobicContact CG-CD1 4.48Å; L435-L439 WeakPolarHBondContact O-CG 3.33Å; L435-L439 PolarHBondContact O-N 3.47Å; E436-L439 WeakPolarHBondContact O-CB 3.29Å; E436-L439 PolarHBondContact O-N 3.27Å; E436-L439 VanDerWaalsContact O-N 3.11Å; K437-L439 VanDerWaalsContact C-N 3.34Å; L439-R442 WeakPolarHBondContact O-CB 3.35Å; L439-R442 PolarHBondContact O-N 2.97Å; L439-N443 WeakPolarHBondContact O-CB 2.99Å; L439-N443 PolarHBondContact O-N 3.5Å; L439-N443 PolarHBondContact O-ND2 3.23Å
440	D	98.1	Very high	96.1	Very high	107 Å²	107	58.9 Å²	58.9	57%	0.572	29%	0.291	S	S	*	.	H	α-helix	trans	-64.9	-45.5	175	-75.6	-22.6	0	0	0	112.1	E436 K437 R442 N443 A444	E436-D440 PolarHBondContact O-N 3.09Å; K437-D440 PolarHBondContact O-N 2.94Å; D440-R442 PolarHBondContact O-N 2.86Å; D440-N443 PolarHBondContact O-N 3.3Å; D440-A444 PolarHBondContact O-N 3.28Å
441	E	97.9	Very high	96.1	Very high	37 Å²	37	55.8 Å²	55.8	17%	0.173	28%	0.283	C	S	.	.	H	α-helix	trans	-59.7	-46.1	174.2	-178	-173.5	176.4	0	0	111.3	Y46 R412 L416 K437 N443 A444 L445	Y46-E441 WeakPolarHBondContact CE2-OE2 3.21Å; Y46-E441 PolarHBondContact OH-OE1 3.16Å; Y46-E441 PolarHBondContact OH-OE2 2.89Å; R412-E441 IonicContact CZ-OE1 2.71Å; R412-E441 IonicContact NE-OE1 2.8Å; R412-E441 PolarHBondContact NE-OE1 3.29Å; R412-E441 IonicContact NH2-OE1 2.71Å; R412-E441 PolarHBondContact NH2-OE1 3.32Å; L416-E441 HydrophobicContact CD2-CB 3.96Å; L416-E441 HydrophobicContact CD2-CG 3.72Å; K437-E441 WeakPolarHBondContact O-CB 3.48Å; K437-E441 PolarHBondContact O-N 3.4Å; E441-N443 VanDerWaalsContact C-N 3.28Å; E441-N443 PolarHBondContact O-N 3.19Å; E441-A444 WeakPolarHBondContact O-CB 3.25Å; E441-A444 PolarHBondContact O-N 3.2Å; E441-A444 VanDerWaalsContact O-N 3.14Å; E441-L445 HydrophobicContact CG-CD1 4.13Å; E441-L445 HydrophobicContact CG-CG 4.48Å; E441-L445 WeakPolarHBondContact O-CG 3.37Å; E441-L445 PolarHBondContact O-N 3.14Å
442	R	97.4	Very high	96	Very high	58 Å²	58	58.3 Å²	58.3	22%	0.219	30%	0.298	C	S	.	.	H	α-helix	trans	-55.6	-45.4	175	178	-170.6	174.1	-98.1	2.6	111.2	L413 L416 E417 I420 W438 L439 D440 L445 R446	L413-R442 HydrophobicContact CD1-CG 3.72Å; L416-R442 HydrophobicContact CD2-CB 4.01Å; E417-R442 HydrophobicContact CG-CG 4.19Å; E417-R442 IonicContact OE1-CZ 3.81Å; E417-R442 VanDerWaalsContact OE1-CZ 3.22Å; E417-R442 IonicContact OE1-NE 3.42Å; E417-R442 PolarHBondContact OE1-NE 2.8Å; E417-R442 IonicContact OE1-NH2 2.71Å; E417-R442 PolarHBondContact OE1-NH2 3.13Å; I420-R442 HydrophobicContact CD1-CB 3.99Å; I420-R442 HydrophobicContact CD1-CG 4.38Å; W438-R442 VanDerWaalsContact O-CB 3.24Å; W438-R442 WeakPolarHBondContact O-CB 3.35Å; W438-R442 PolarHBondContact O-N 2.67Å; L439-R442 WeakPolarHBondContact O-CB 3.35Å; L439-R442 PolarHBondContact O-N 2.97Å; D440-R442 PolarHBondContact O-N 2.86Å; R442-L445 PolarHBondContact O-N 3.4Å; R442-R446 WeakPolarHBondContact O-CG 3.19Å; R442-R446 PolarHBondContact O-N 3.2Å
443	N	95.6	Very high	96	Very high	61 Å²	61	56.8 Å²	56.8	33%	0.326	29%	0.291	S	S	.	.	H	α-helix	trans	-65.9	-38.5	178.8	-71	-27.3	0	0	0	111.8	L439 D440 E441 R446 R447	L439-N443 WeakPolarHBondContact O-CB 2.99Å; L439-N443 PolarHBondContact O-N 3.5Å; L439-N443 PolarHBondContact O-ND2 3.23Å; D440-N443 PolarHBondContact O-N 3.3Å; E441-N443 VanDerWaalsContact C-N 3.28Å; E441-N443 PolarHBondContact O-N 3.19Å; N443-R446 PolarHBondContact O-N 2.97Å; N443-R447 WeakPolarHBondContact O-CG 3.25Å; N443-R447 PolarHBondContact O-N 3.34Å; N443-R447 VanDerWaalsContact O-N 3.08Å
444	A	96.5	Very high	95.9	Very high	48 Å²	48	53 Å²	53	40%	0.397	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-46.2	174.4	0	0	0	0	0	111.9	D440 E441 R446 R447 G448	D440-A444 PolarHBondContact O-N 3.28Å; E441-A444 WeakPolarHBondContact O-CB 3.25Å; E441-A444 PolarHBondContact O-N 3.2Å; E441-A444 VanDerWaalsContact O-N 3.14Å; A444-R446 PolarHBondContact O-N 2.84Å; A444-R447 PolarHBondContact O-N 3.24Å; A444-G448 PolarHBondContact O-N 2.87Å
445	L	96.1	Very high	95.8	Very high	18 Å²	18	55.6 Å²	55.6	9%	0.094	29%	0.29	C	S	.	.	H	α-helix	trans	-60.2	-44.4	176.2	-72.8	169.4	0	0	0	111.6	N409 R412 L413 L416 E441 R442 R447 G448 S449	N409-L445 HydrophobicContact CB-CD2 3.96Å; R412-L445 HydrophobicContact CB-CD1 4.38Å; R412-L445 HydrophobicContact CG-CD1 3.96Å; L413-L445 HydrophobicContact CB-CB 4.29Å; L413-L445 HydrophobicContact CB-CD1 4.31Å; L413-L445 HydrophobicContact CD1-CB 4.17Å; L416-L445 HydrophobicContact CD2-CD1 3.97Å; E441-L445 HydrophobicContact CG-CD1 4.13Å; E441-L445 HydrophobicContact CG-CG 4.48Å; E441-L445 WeakPolarHBondContact O-CG 3.37Å; E441-L445 PolarHBondContact O-N 3.14Å; R442-L445 PolarHBondContact O-N 3.4Å; L445-R447 PolarHBondContact O-N 2.9Å; L445-G448 PolarHBondContact O-N 3.08Å; L445-S449 WeakPolarHBondContact O-CB 3.46Å; L445-S449 PolarHBondContact O-N 3.14Å; L445-S449 PolarHBondContact O-OG 3.35Å; L445-S449 VanDerWaalsContact O-OG 3.12Å
446	R	94.9	Very high	95.7	Very high	35 Å²	35	57.2 Å²	57.2	13%	0.132	30%	0.297	C	S	.	.	H	α-helix	trans	-59.6	-44.7	176.3	-76.6	176.6	66.3	111	-6.4	112.4	L413 E417 R442 N443 A444 K450 F464	L413-R446 HydrophobicContact CD1-CG 3.9Å; L413-R446 HydrophobicContact CD2-CG 3.85Å; E417-R446 IonicContact OE1-NH1 2.9Å; R442-R446 WeakPolarHBondContact O-CG 3.19Å; R442-R446 PolarHBondContact O-N 3.2Å; N443-R446 PolarHBondContact O-N 2.97Å; A444-R446 PolarHBondContact O-N 2.84Å; R446-K450 PolarHBondContact O-N 3.27Å; R446-K450 VanDerWaalsContact O-N 3.12Å; R446-F464 HydrophobicContact CB-CD1 3.87Å; R446-F464 HydrophobicContact CB-CE1 3.88Å; R446-F464 HydrophobicContact CG-CD1 4.37Å
447	R	93.3	Very high	95.6	Very high	133 Å²	133	52 Å²	52	50%	0.502	27%	0.273	S	S	.	.	H	α-helix	trans	-65.4	-46.8	176.2	-73.2	-172.5	-62.8	-96.9	-0.2	111.4	N443 A444 L445 S449 K450 C451	N443-R447 WeakPolarHBondContact O-CG 3.25Å; N443-R447 PolarHBondContact O-N 3.34Å; N443-R447 VanDerWaalsContact O-N 3.08Å; A444-R447 PolarHBondContact O-N 3.24Å; L445-R447 PolarHBondContact O-N 2.9Å; R447-S449 PolarHBondContact O-N 3.42Å; R447-K450 WeakPolarHBondContact O-CB 3.39Å; R447-K450 PolarHBondContact O-N 3.16Å; R447-K450 VanDerWaalsContact O-N 3.15Å; R447-C451 PolarHBondContact O-N 3.11Å; R447-C451 PolarHBondContact O-SG 2.94Å
448	G	93.7	Very high	95.5	Very high	32 Å²	32	45.7 Å²	45.7	33%	0.33	25%	0.247	S	C	.	.	H	α-helix	trans	-56.8	-49.8	177.1	0	0	0	0	0	112	A444 L445 K450 C451 V452	A444-G448 PolarHBondContact O-N 2.87Å; L445-G448 PolarHBondContact O-N 3.08Å; G448-K450 VanDerWaalsContact C-N 3.28Å; G448-K450 PolarHBondContact O-N 2.92Å; G448-C451 PolarHBondContact O-N 3.37Å; G448-C451 VanDerWaalsContact O-N 3.13Å; G448-V452 WeakPolarHBondContact O-CG2 3.12Å; G448-V452 PolarHBondContact O-N 3.19Å
449	S	92.7	Very high	95.5	Very high	13 Å²	13	46 Å²	46	9%	0.091	25%	0.25	C	C	.	.	H	α-helix	trans	-59.6	-34.5	176.3	-68.1	0	0	0	0	113.4	L445 R447 F453	L445-S449 WeakPolarHBondContact O-CB 3.46Å; L445-S449 PolarHBondContact O-N 3.14Å; L445-S449 PolarHBondContact O-OG 3.35Å; L445-S449 VanDerWaalsContact O-OG 3.12Å; R447-S449 PolarHBondContact O-N 3.42Å; S449-F453 VanDerWaalsContact O-CD2 3.31Å; S449-F453 WeakPolarHBondContact O-CD2 3.21Å; S449-F453 WeakPolarHBondContact O-CE2 3.48Å
450	K	94.1	Very high	95.4	Very high	24 Å²	24	43.6 Å²	43.6	10%	0.104	24%	0.237	C	C	.	.	H	α-helix	trans	-65	-50.1	173	-173.9	-166.2	74.3	169.1	0	110.8	Q151 D153 R446 R447 G448 V452 F453 N454 P455 Q456 G458 F464	Q151-K450 VanDerWaalsContact NE2-CD 3.35Å; D153-K450 PolarHBondContact O-NZ 3.23Å; D153-K450 WeakPolarHBondContact OD2-CE 3.47Å; D153-K450 IonicContact OD2-NZ 2.87Å; D153-K450 PolarHBondContact OD2-NZ 3.19Å; R446-K450 PolarHBondContact O-N 3.27Å; R446-K450 VanDerWaalsContact O-N 3.12Å; R447-K450 WeakPolarHBondContact O-CB 3.39Å; R447-K450 PolarHBondContact O-N 3.16Å; R447-K450 VanDerWaalsContact O-N 3.15Å; G448-K450 VanDerWaalsContact C-N 3.28Å; G448-K450 PolarHBondContact O-N 2.92Å; K450-V452 VanDerWaalsContact C-N 3.26Å; K450-V452 PolarHBondContact O-N 3.48Å; K450-F453 PolarHBondContact O-N 3.22Å; K450-N454 PolarHBondContact O-N 3.23Å; K450-P455 VanDerWaalsContact CE-O 3.31Å; K450-P455 WeakPolarHBondContact CE-O 3.46Å; K450-P455 PolarHBondContact NZ-O 2.96Å; K450-Q456 PolarHBondContact NZ-O 2.85Å; K450-Q456 VanDerWaalsContact NZ-O 3.14Å; K450-G458 VanDerWaalsContact CG-CA 3.48Å; K450-G458 WeakPolarHBondContact O-CA 3.42Å; K450-F464 HydrophobicContact CB-CE1 4.42Å
451	C	94.6	Very high	95.3	Very high	57 Å²	57	40 Å²	40	39%	0.385	22%	0.216	S	C	.	.	H	α-helix	trans	-64.5	-25.5	-172.6	-66.9	0	0	0	0	114.2	R447 G448 F453 N454	R447-C451 PolarHBondContact O-N 3.11Å; R447-C451 PolarHBondContact O-SG 2.94Å; G448-C451 PolarHBondContact O-N 3.37Å; G448-C451 VanDerWaalsContact O-N 3.13Å; C451-F453 PolarHBondContact O-N 3.49Å; C451-N454 PolarHBondContact O-N 2.95Å
452	V	94.8	Very high	95.2	Very high	53 Å²	53	44.2 Å²	44.2	32%	0.321	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.5	175.3	176.6	0	0	0	0	111.9	A400 N403 F406 G448 K450	A400-V452 HydrophobicContact CB-CG1 4.1Å; N403-V452 HydrophobicContact CB-CG1 4.27Å; F406-V452 HydrophobicContact CB-CG1 4.08Å; F406-V452 HydrophobicContact CB-CG2 4.24Å; F406-V452 HydrophobicContact CD2-CB 4.27Å; F406-V452 HydrophobicContact CD2-CG1 4.47Å; F406-V452 HydrophobicContact CD2-CG2 4.29Å; F406-V452 HydrophobicContact CG-CG1 4.46Å; G448-V452 WeakPolarHBondContact O-CG2 3.12Å; G448-V452 PolarHBondContact O-N 3.19Å; K450-V452 VanDerWaalsContact C-N 3.26Å; K450-V452 PolarHBondContact O-N 3.48Å
453	F	95	Very high	95	Very high	51 Å²	51	41.8 Å²	41.8	22%	0.224	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-51.7	177.2	-61.2	-89.2	0	0	0	111.4	E397 A400 A401 F406 S449 K450 C451	E397-F453 WeakPolarHBondContact O-CE1 3.3Å; E397-F453 WeakPolarHBondContact OE2-CD1 3.31Å; E397-F453 WeakPolarHBondContact OE2-CE1 3.36Å; A400-F453 HydrophobicContact CB-CD1 3.57Å; A400-F453 HydrophobicContact CB-CE1 3.82Å; A400-F453 HydrophobicContact CB-CG 4.19Å; A401-F453 HydrophobicContact CB-CE1 4.25Å; A401-F453 HydrophobicContact CB-CZ 4.31Å; F406-F453 HydrophobicContact CD2-CE2 4.05Å; F406-F453 HydrophobicContact CE1-CE2 4.43Å; F406-F453 HydrophobicContact CE1-CZ 4.11Å; F406-F453 HydrophobicContact CE2-CD2 4.49Å; F406-F453 AromaticContact CE2-CE2 3.42Å; F406-F453 HydrophobicContact CE2-CE2 3.42Å; F406-F453 VanDerWaalsContact CE2-CE2 3.42Å; F406-F453 AromaticContact CE2-CZ 3.93Å; F406-F453 HydrophobicContact CE2-CZ 3.93Å; F406-F453 AromaticContact CZ-CE2 3.64Å; F406-F453 HydrophobicContact CZ-CE2 3.64Å; F406-F453 AromaticContact CZ-CZ 3.68Å; F406-F453 HydrophobicContact CZ-CZ 3.68Å; S449-F453 VanDerWaalsContact O-CD2 3.31Å; S449-F453 WeakPolarHBondContact O-CD2 3.21Å; S449-F453 WeakPolarHBondContact O-CE2 3.48Å; K450-F453 PolarHBondContact O-N 3.22Å; C451-F453 PolarHBondContact O-N 3.49Å
454	N	94.4	Very high	94.8	Very high	18 Å²	18	41.8 Å²	41.8	10%	0.096	22%	0.22	C	C	.	.			trans	-161.4	129.4	178.5	174.5	-91.3	0	0	0	109.2	K450 C451 Q456 F457 G458	K450-N454 PolarHBondContact O-N 3.23Å; C451-N454 PolarHBondContact O-N 2.95Å; N454-Q456 VanDerWaalsContact C-N 3.3Å; N454-Q456 PolarHBondContact ND2-OE1 3.38Å; N454-Q456 PolarHBondContact O-N 3.05Å; N454-Q456 WeakPolarHBondContact OD1-CA 3.45Å; N454-Q456 WeakPolarHBondContact OD1-CB 3.5Å; N454-Q456 PolarHBondContact OD1-N 3.42Å; N454-Q456 PolarHBondContact OD1-OE1 2.86Å; N454-F457 PolarHBondContact OD1-N 3.49Å; N454-G458 VanDerWaalsContact O-CA 3.29Å; N454-G458 WeakPolarHBondContact O-CA 3.46Å; N454-G458 PolarHBondContact O-N 3.02Å
455	P	93.7	Very high	94.4	Very high	81 Å²	81	45.1 Å²	45.1	53%	0.526	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-37.3	-177.6	-27.4	35.4	0	0	0	114.5	K450	K450-P455 VanDerWaalsContact CE-O 3.31Å; K450-P455 WeakPolarHBondContact CE-O 3.46Å; K450-P455 PolarHBondContact NZ-O 2.96Å
456	Q	95.6	Very high	94.3	Very high	57 Å²	57	45.8 Å²	45.8	27%	0.266	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-59	-175	-61.4	83.7	-10.2	0	0	111	F127 T154 Y156 K450 N454	F127-Q456 HydrophobicContact CD2-CG 4.28Å; F127-Q456 HydrophobicContact CE2-CG 3.98Å; T154-Q456 WeakPolarHBondContact CG2-O 3.4Å; Y156-Q456 HydrophobicContact CE2-CB 4.21Å; K450-Q456 PolarHBondContact NZ-O 2.85Å; K450-Q456 VanDerWaalsContact NZ-O 3.14Å; N454-Q456 VanDerWaalsContact C-N 3.3Å; N454-Q456 PolarHBondContact ND2-OE1 3.38Å; N454-Q456 PolarHBondContact O-N 3.05Å; N454-Q456 WeakPolarHBondContact OD1-CA 3.45Å; N454-Q456 WeakPolarHBondContact OD1-CB 3.5Å; N454-Q456 PolarHBondContact OD1-N 3.42Å; N454-Q456 PolarHBondContact OD1-OE1 2.86Å
457	F	96.4	Very high	94.3	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.009	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-18.8	-167.2	-57.3	-73.6	0	0	0	114.2	F127 L132 L141 K143 T154 Y156 N454	F127-F457 HydrophobicContact CD2-CE2 4.46Å; F127-F457 HydrophobicContact CE1-CE2 4.45Å; F127-F457 HydrophobicContact CE1-CZ 4.21Å; F127-F457 HydrophobicContact CE2-CE2 4.13Å; F127-F457 HydrophobicContact CE2-CZ 4.27Å; F127-F457 HydrophobicContact CZ-CE2 4.13Å; F127-F457 AromaticContact CZ-CZ 3.86Å; F127-F457 HydrophobicContact CZ-CZ 3.86Å; F127-F457 VanDerWaalsContact O-CE2 3.29Å; F127-F457 WeakPolarHBondContact O-CE2 3.29Å; L132-F457 HydrophobicContact CD1-CD1 3.81Å; L132-F457 HydrophobicContact CD1-CD2 3.91Å; L132-F457 HydrophobicContact CD1-CE1 3.73Å; L132-F457 HydrophobicContact CD1-CE2 3.83Å; L132-F457 HydrophobicContact CD1-CG 3.92Å; L132-F457 HydrophobicContact CD1-CZ 3.75Å; L132-F457 HydrophobicContact CD2-CB 4.12Å; L132-F457 HydrophobicContact CD2-CD1 3.44Å; L132-F457 VanDerWaalsContact CD2-CD1 3.44Å; L132-F457 HydrophobicContact CD2-CE1 4.02Å; L132-F457 HydrophobicContact CD2-CG 3.8Å; L132-F457 HydrophobicContact CG-CD1 4.29Å; L132-F457 HydrophobicContact CG-CG 4.48Å; L141-F457 HydrophobicContact CD2-CE1 4.41Å; L141-F457 HydrophobicContact CD2-CZ 3.83Å; L141-F457 HydrophobicContact CG-CZ 4.39Å; K143-F457 HydrophobicContact CD-CB 4.46Å; K143-F457 WeakPolarHBondContact CD-O 3.48Å; K143-F457 PolarHBondContact NZ-O 3.05Å; T154-F457 HydrophobicContact CG2-CD1 4.44Å; T154-F457 WeakPolarHBondContact O-CE1 3.22Å; Y156-F457 AromaticContact CD2-CE1 3.75Å; Y156-F457 HydrophobicContact CD2-CE1 3.75Å; Y156-F457 AromaticContact CD2-CZ 3.75Å; Y156-F457 HydrophobicContact CD2-CZ 3.75Å; Y156-F457 AromaticContact CE2-CE1 3.89Å; Y156-F457 HydrophobicContact CE2-CE1 3.89Å; Y156-F457 AromaticContact CE2-CZ 3.9Å; Y156-F457 HydrophobicContact CE2-CZ 3.9Å; N454-F457 PolarHBondContact OD1-N 3.49Å
458	G	95.8	Very high	94.5	Very high	7 Å²	7	40.4 Å²	40.4	7%	0.072	22%	0.218	C	C	.	.			trans	62.8	-162.6	-170.8	0	0	0	0	0	114.1	K450 N454 I460	K450-G458 VanDerWaalsContact CG-CA 3.48Å; K450-G458 WeakPolarHBondContact O-CA 3.42Å; N454-G458 VanDerWaalsContact O-CA 3.29Å; N454-G458 WeakPolarHBondContact O-CA 3.46Å; N454-G458 PolarHBondContact O-N 3.02Å; G458-I460 PolarHBondContact O-N 3.45Å
459	S	96.6	Very high	94.6	Very high	10 Å²	10	39.1 Å²	39.1	7%	0.07	20%	0.203	C	C	.	.			trans	-54.9	127.8	-173	170.4	0	0	0	0	114.4	K143 E397 F461 R462	K143-S459 WeakPolarHBondContact CE-O 3.49Å; K143-S459 PolarHBondContact NZ-O 2.95Å; E397-S459 WeakPolarHBondContact OE1-CA 3.45Å; E397-S459 WeakPolarHBondContact OE2-CA 3.49Å; E397-S459 WeakPolarHBondContact OE2-CB 3.3Å; E397-S459 PolarHBondContact OE2-OG 3.01Å; S459-F461 PolarHBondContact O-N 3.25Å; S459-F461 PolarHBondContact OG-N 3.38Å; S459-R462 PolarHBondContact O-N 3.29Å
460	I	96.1	Very high	94.7	Very high	14 Å²	14	38.5 Å²	38.5	7%	0.072	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-29.2	175.2	-170.6	172	0	0	0	112.5	R130 E397 G458 S468 F470	R130-I460 HydrophobicContact CB-CD1 3.76Å; R130-I460 HydrophobicContact CG-CD1 4.17Å; R130-I460 WeakPolarHBondContact O-CD1 3.41Å; R130-I460 WeakPolarHBondContact O-CG1 3.38Å; E397-I460 HydrophobicContact CG-CG2 4.04Å; E397-I460 WeakPolarHBondContact OE1-CG2 3.47Å; E397-I460 PolarHBondContact OE1-N 3.27Å; G458-I460 PolarHBondContact O-N 3.45Å; I460-S468 VanDerWaalsContact O-CB 3.27Å; I460-S468 WeakPolarHBondContact O-CB 3.44Å; I460-S468 PolarHBondContact O-OG 3.01Å; I460-F470 HydrophobicContact CD1-CD1 4.04Å; I460-F470 HydrophobicContact CD1-CE1 3.88Å; I460-F470 HydrophobicContact CD1-CZ 4.21Å; I460-F470 HydrophobicContact CG1-CD1 3.78Å; I460-F470 HydrophobicContact CG1-CE1 4.05Å; I460-F470 HydrophobicContact CG1-CG 4.32Å
461	F	96.8	Very high	94.8	Very high	31 Å²	31	38.4 Å²	38.4	14%	0.136	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-16.1	-176.5	-60.3	-76.9	0	0	0	114.8	I391 L394 E397 S459 S468 F470 S471 L474	I391-F461 HydrophobicContact CD1-CE1 4.03Å; I391-F461 HydrophobicContact CD1-CZ 4.21Å; I391-F461 HydrophobicContact CG2-CE1 4.49Å; I391-F461 HydrophobicContact CG2-CZ 3.89Å; L394-F461 HydrophobicContact CB-CZ 4.45Å; L394-F461 HydrophobicContact CD1-CE2 3.75Å; L394-F461 HydrophobicContact CD1-CZ 3.73Å; E397-F461 HydrophobicContact CB-CD2 4.34Å; E397-F461 HydrophobicContact CB-CE2 4.06Å; E397-F461 HydrophobicContact CG-CD2 4Å; E397-F461 HydrophobicContact CG-CE2 3.81Å; S459-F461 PolarHBondContact O-N 3.25Å; S459-F461 PolarHBondContact OG-N 3.38Å; F461-S468 PolarHBondContact O-N 2.71Å; F461-S468 PolarHBondContact O-OG 3.35Å; F461-F470 HydrophobicContact CD1-CE1 4.39Å; F461-F470 HydrophobicContact CE1-CE1 4.1Å; F461-S471 WeakPolarHBondContact O-CB 3.46Å; F461-S471 PolarHBondContact O-OG 3.34Å; F461-L474 HydrophobicContact CD1-CD2 4.37Å; F461-L474 HydrophobicContact CE1-CD2 3.8Å
462	R	95.4	Very high	94.8	Very high	126 Å²	126	39.3 Å²	39.3	48%	0.475	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	141.3	-170.6	-72.6	-172.8	163.3	-80.5	-5.6	114.1	K143 S459 H465 N466	K143-R462 WeakPolarHBondContact CE-O 3.37Å; K143-R462 PolarHBondContact NZ-O 3.09Å; S459-R462 PolarHBondContact O-N 3.29Å; R462-H465 PolarHBondContact NH1-O 3.13Å; R462-N466 CarbonylContact C-O 3.56Å; R462-N466 WeakPolarHBondContact CA-O 3.44Å
463	S	93.7	Very high	94.7	Very high	7 Å²	7	38.7 Å²	38.7	5%	0.049	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	91.9	157.4	-171.2	0	0	0	0	109.2	Q151 H465 N466	Q151-S463 WeakPolarHBondContact CB-OG 3.37Å; Q151-S463 VanDerWaalsContact CG-OG 3.27Å; Q151-S463 WeakPolarHBondContact CG-OG 3.26Å; Q151-S463 PolarHBondContact OE1-OG 3.23Å; S463-H465 PolarHBondContact O-N 2.89Å; S463-N466 PolarHBondContact N-O 2.71Å; S463-N466 PolarHBondContact O-N 2.93Å
464	F	90.5	Very high	94.7	Very high	60 Å²	60	36.5 Å²	36.5	26%	0.263	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	-107.7	-168.8	-57.1	-76.4	0	0	0	111.9	Q151 D153 R446 K450	Q151-F464 HydrophobicContact CG-CD2 4.09Å; Q151-F464 HydrophobicContact CG-CE2 3.63Å; D153-F464 WeakPolarHBondContact OD1-CZ 3.28Å; R446-F464 HydrophobicContact CB-CD1 3.87Å; R446-F464 HydrophobicContact CB-CE1 3.88Å; R446-F464 HydrophobicContact CG-CD1 4.37Å; K450-F464 HydrophobicContact CB-CE1 4.42Å
465	H	87.5	Confident	94.7	Very high	118 Å²	118	37.2 Å²	37.2	55%	0.546	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-24.5	-177.7	63.5	-61.1	0	0	0	113.4	R462 S463	R462-H465 PolarHBondContact NH1-O 3.13Å; S463-H465 PolarHBondContact O-N 2.89Å
466	N	93.8	Very high	94.6	Very high	32 Å²	32	38.6 Å²	38.6	17%	0.171	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	149.2	-179.3	-68.4	-22.2	0	0	0	111.1	D145 F147 R462 S463	D145-N466 HydrophobicContact CB-CB 4.09Å; D145-N466 PolarHBondContact OD2-ND2 3.2Å; F147-N466 HydrophobicContact CD2-CB 4.1Å; F147-N466 HydrophobicContact CE2-CB 4.01Å; R462-N466 CarbonylContact C-O 3.56Å; R462-N466 WeakPolarHBondContact CA-O 3.44Å; S463-N466 PolarHBondContact N-O 2.71Å; S463-N466 PolarHBondContact O-N 2.93Å
467	P	96.3	Very high	94.6	Very high	53 Å²	53	37.7 Å²	37.7	34%	0.344	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	145.5	163.3	-17.7	30.9	0	0	0	110.2	A146 S471	A146-P467 HydrophobicContact CB-CB 4.06Å; A146-P467 WeakPolarHBondContact CB-O 3.47Å; A146-P467 PolarHBondContact N-O 2.67Å; P467-S471 VanDerWaalsContact CB-OG 3.31Å; P467-S471 WeakPolarHBondContact CB-OG 3.48Å
468	S	97.3	Very high	94.7	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.021	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-67.6	161.2	168.1	66.8	0	0	0	0	110.6	I460 F461 F470 S471 Q472	I460-S468 VanDerWaalsContact O-CB 3.27Å; I460-S468 WeakPolarHBondContact O-CB 3.44Å; I460-S468 PolarHBondContact O-OG 3.01Å; F461-S468 PolarHBondContact O-N 2.71Å; F461-S468 PolarHBondContact O-OG 3.35Å; S468-F470 PolarHBondContact O-N 3.47Å; S468-S471 PolarHBondContact N-OG 2.97Å; S468-S471 PolarHBondContact O-N 2.94Å; S468-S471 PolarHBondContact O-OG 2.85Å; S468-S471 VanDerWaalsContact O-OG 3.11Å; S468-S471 PolarHBondContact OG-N 2.79Å; S468-S471 PolarHBondContact OG-OG 3.45Å; S468-Q472 PolarHBondContact O-N 3.31Å; S468-Q472 VanDerWaalsContact O-N 3.12Å
469	Y	95.8	Very high	94.7	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.02	19%	0.19	C	C	.	.	H	α-helix	trans	-57.5	-37.6	172.7	-171	-92.2	0	0	0	111.4	H133 V144 H148 L181 R473	H133-Y469 AromaticContact CE1-CD1 3.88Å; H133-Y469 AromaticContact NE2-CD1 3.75Å; V144-Y469 WeakPolarHBondContact O-CB 3.42Å; V144-Y469 PolarHBondContact O-N 3.17Å; H148-Y469 AromaticContact CD2-CD2 3.97Å; H148-Y469 AromaticContact CD2-CE2 3.83Å; H148-Y469 AromaticContact NE2-CE2 3.81Å; L181-Y469 HydrophobicContact CD1-CD2 4.25Å; L181-Y469 HydrophobicContact CD1-CE2 4.03Å; Y469-R473 HydrophobicContact CD1-CG 4.3Å; Y469-R473 HydrophobicContact CE1-CG 4.02Å; Y469-R473 WeakPolarHBondContact O-CG 3.45Å; Y469-R473 PolarHBondContact O-N 3.36Å; Y469-R473 PolarHBondContact OH-NE 3.01Å; Y469-R473 PolarHBondContact OH-NH2 2.95Å
470	F	95.5	Very high	94.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.2	-51.8	173.4	171.9	-98	0	0	0	112.5	R130 M196 V372 I391 I460 F461 S468 Q472 R473 L474	R130-F470 HydrophobicContact CG-CE2 4.29Å; M196-F470 HydrophobicContact CE-CD2 3.59Å; M196-F470 HydrophobicContact CE-CE2 3.61Å; M196-F470 HydrophobicContact SD-CD2 3.8Å; M196-F470 HydrophobicContact SD-CE2 4.34Å; V372-F470 HydrophobicContact CG2-CE2 4.17Å; I391-F470 HydrophobicContact CD1-CZ 4.47Å; I460-F470 HydrophobicContact CD1-CD1 4.04Å; I460-F470 HydrophobicContact CD1-CE1 3.88Å; I460-F470 HydrophobicContact CD1-CZ 4.21Å; I460-F470 HydrophobicContact CG1-CD1 3.78Å; I460-F470 HydrophobicContact CG1-CE1 4.05Å; I460-F470 HydrophobicContact CG1-CG 4.32Å; F461-F470 HydrophobicContact CD1-CE1 4.39Å; F461-F470 HydrophobicContact CE1-CE1 4.1Å; S468-F470 PolarHBondContact O-N 3.47Å; F470-Q472 VanDerWaalsContact C-N 3.32Å; F470-Q472 PolarHBondContact O-N 3.45Å; F470-R473 PolarHBondContact O-N 3.37Å; F470-L474 HydrophobicContact CE1-CD2 4.23Å; F470-L474 WeakPolarHBondContact O-CB 3.47Å; F470-L474 PolarHBondContact O-N 2.9Å
471	S	95.7	Very high	94.9	Very high	21 Å²	21	39.4 Å²	39.4	15%	0.147	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-31.8	-175.4	60.9	0	0	0	0	113.2	F461 P467 S468 G475	F461-S471 WeakPolarHBondContact O-CB 3.46Å; F461-S471 PolarHBondContact O-OG 3.34Å; P467-S471 VanDerWaalsContact CB-OG 3.31Å; P467-S471 WeakPolarHBondContact CB-OG 3.48Å; S468-S471 PolarHBondContact N-OG 2.97Å; S468-S471 PolarHBondContact O-N 2.94Å; S468-S471 PolarHBondContact O-OG 2.85Å; S468-S471 VanDerWaalsContact O-OG 3.11Å; S468-S471 PolarHBondContact OG-N 2.79Å; S468-S471 PolarHBondContact OG-OG 3.45Å; S471-G475 PolarHBondContact O-N 3.44Å
472	Q	94.7	Very high	95	Very high	77 Å²	77	37.9 Å²	37.9	36%	0.36	19%	0.186	S	C	.	.	H	α-helix	trans	-63.6	-44.1	172.5	-173.8	-177.4	36.2	0	0	111.7	A146 S468 F470 G475 Q476	A146-Q472 HydrophobicContact CB-CB 3.79Å; A146-Q472 HydrophobicContact CB-CG 4.18Å; A146-Q472 PolarHBondContact O-OE1 2.81Å; S468-Q472 PolarHBondContact O-N 3.31Å; S468-Q472 VanDerWaalsContact O-N 3.12Å; F470-Q472 VanDerWaalsContact C-N 3.32Å; F470-Q472 PolarHBondContact O-N 3.45Å; Q472-G475 PolarHBondContact O-N 3.17Å; Q472-Q476 PolarHBondContact O-N 2.86Å
473	R	92.5	Very high	95.1	Very high	39 Å²	39	31.9 Å²	31.9	15%	0.147	16%	0.163	C	C	.	.	H	α-helix	trans	-68.5	-41.7	178.4	-66.5	-67.5	-177.7	-153.2	-4.4	112	V372 Y373 Y469 F470 Q476 Y477	V372-R473 HydrophobicContact CG1-CB 4.34Å; Y373-R473 HydrophobicContact CE1-CG 4.47Å; Y373-R473 WeakPolarHBondContact OH-CG 3.11Å; Y469-R473 HydrophobicContact CD1-CG 4.3Å; Y469-R473 HydrophobicContact CE1-CG 4.02Å; Y469-R473 WeakPolarHBondContact O-CG 3.45Å; Y469-R473 PolarHBondContact O-N 3.36Å; Y469-R473 PolarHBondContact OH-NE 3.01Å; Y469-R473 PolarHBondContact OH-NH2 2.95Å; F470-R473 PolarHBondContact O-N 3.37Å; R473-Q476 WeakPolarHBondContact O-CB 3.42Å; R473-Q476 PolarHBondContact O-N 2.99Å; R473-Y477 WeakPolarHBondContact O-CD2 3.46Å; R473-Y477 PolarHBondContact O-N 3.12Å
474	L	94.6	Very high	95.3	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-55.3	-52.3	171.5	175.7	71.4	0	0	0	111	V372 A389 I391 F461 F470 Q476 Y477 A478 Y481	V372-L474 HydrophobicContact CG2-CD1 4.18Å; A389-L474 HydrophobicContact CB-CD1 3.31Å; I391-L474 HydrophobicContact CD1-CD1 3.67Å; I391-L474 HydrophobicContact CD1-CD2 3.26Å; I391-L474 HydrophobicContact CD1-CG 4.08Å; F461-L474 HydrophobicContact CD1-CD2 4.37Å; F461-L474 HydrophobicContact CE1-CD2 3.8Å; F470-L474 HydrophobicContact CE1-CD2 4.23Å; F470-L474 WeakPolarHBondContact O-CB 3.47Å; F470-L474 PolarHBondContact O-N 2.9Å; L474-Q476 PolarHBondContact O-N 3.18Å; L474-Y477 PolarHBondContact O-N 3.45Å; L474-Y477 VanDerWaalsContact O-N 3.15Å; L474-A478 HydrophobicContact CD1-CB 3.84Å; L474-A478 HydrophobicContact CG-CB 4.37Å; L474-A478 VanDerWaalsContact O-CB 3.23Å; L474-A478 WeakPolarHBondContact O-CB 3.22Å; L474-A478 PolarHBondContact O-N 2.98Å; L474-Y481 HydrophobicContact CD2-CG 4.46Å
475	G	94	Very high	95.7	Very high	34 Å²	34	32.6 Å²	32.6	35%	0.351	16%	0.163	S	C	.	.	H	α-helix	trans	-62.2	-26.6	179.8	0	0	0	0	0	114	S471 Q472	S471-G475 PolarHBondContact O-N 3.44Å; Q472-G475 PolarHBondContact O-N 3.17Å
476	Q	92.9	Very high	96.2	Very high	109 Å²	109	28 Å²	28	51%	0.509	14%	0.143	S	C	.	.	H	α-helix	trans	-72.8	-35.2	176.2	-172.5	179.7	4.1	0	0	112.8	Q472 R473 L474	Q472-Q476 PolarHBondContact O-N 2.86Å; R473-Q476 WeakPolarHBondContact O-CB 3.42Å; R473-Q476 PolarHBondContact O-N 2.99Å; L474-Q476 PolarHBondContact O-N 3.18Å
477	Y	95.2	Very high	96.4	Very high	38 Å²	38	26.6 Å²	26.6	15%	0.149	14%	0.136	C	C	.	.	H	α-helix	trans	-115.7	-13.1	-168.7	-57.1	-56.7	0	0	0	115	V372 Y373 A377 A380 T387 R473 L474	V372-Y477 HydrophobicContact CG1-CD2 3.61Å; V372-Y477 HydrophobicContact CG1-CE2 4.4Å; V372-Y477 HydrophobicContact CG1-CG 4.48Å; Y373-Y477 HydrophobicContact CD1-CE2 4.48Å; Y373-Y477 HydrophobicContact CE1-CE2 4.31Å; A377-Y477 HydrophobicContact CB-CD1 4.02Å; A377-Y477 HydrophobicContact CB-CD2 3.9Å; A377-Y477 HydrophobicContact CB-CE1 4.06Å; A377-Y477 HydrophobicContact CB-CE2 3.93Å; A377-Y477 HydrophobicContact CB-CG 3.94Å; A380-Y477 WeakPolarHBondContact CB-O 3.4Å; T387-Y477 WeakPolarHBondContact CB-O 3.41Å; T387-Y477 PolarHBondContact OG1-O 2.93Å; R473-Y477 WeakPolarHBondContact O-CD2 3.46Å; R473-Y477 PolarHBondContact O-N 3.12Å; L474-Y477 PolarHBondContact O-N 3.45Å; L474-Y477 VanDerWaalsContact O-N 3.15Å
478	A	97.1	Very high	96.5	Very high	2 Å²	2	24.2 Å²	24.2	2%	0.017	12%	0.12	C	C	.	.			trans	-104.9	117.7	179.8	0	0	0	0	0	110.3	N71 L376 T387 A389 L474 L480	N71-A478 PolarHBondContact ND2-O 3.38Å; L376-A478 HydrophobicContact CD1-CB 4.38Å; T387-A478 WeakPolarHBondContact OG1-CA 3.48Å; A389-A478 HydrophobicContact CB-CB 3.8Å; L474-A478 HydrophobicContact CD1-CB 3.84Å; L474-A478 HydrophobicContact CG-CB 4.37Å; L474-A478 VanDerWaalsContact O-CB 3.23Å; L474-A478 WeakPolarHBondContact O-CB 3.22Å; L474-A478 PolarHBondContact O-N 2.98Å; A478-L480 VanDerWaalsContact C-N 3.3Å
479	T	97.2	Very high	96.5	Very high	18 Å²	18	25.7 Å²	25.7	11%	0.11	13%	0.127	C	C	.	.	S	Bend	trans	-65.5	-38.8	171.4	-50.9	0	0	0	0	110.8	N71 N72 V74 M386 T387	N71-T479 PolarHBondContact N-O 3.38Å; N72-T479 HydrophobicContact CB-CG2 3.97Å; N72-T479 PolarHBondContact N-O 3.48Å; V74-T479 HydrophobicContact CG2-CG2 3.51Å; M386-T479 HydrophobicContact CG-CG2 4.25Å; T387-T479 PolarHBondContact N-OG1 2.89Å; T387-T479 WeakPolarHBondContact O-CA 3.37Å; T387-T479 WeakPolarHBondContact O-CB 3.4Å; T387-T479 PolarHBondContact O-N 3.49Å; T387-T479 PolarHBondContact OG1-N 3.15Å; T387-T479 VanDerWaalsContact OG1-N 3.13Å
480	L	98	Very high	96.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	163.2	173.6	66.5	85.6	0	0	0	111.4	V68 F69 V70 V74 L366 F368 T387 G388 A389 A478	V68-L480 HydrophobicContact CG1-CB 4.43Å; V68-L480 HydrophobicContact CG1-CD1 4.19Å; F69-L480 CarbonylContact O-C 3.54Å; F69-L480 WeakPolarHBondContact O-CA 3.47Å; F69-L480 VanDerWaalsContact O-CB 3.31Å; F69-L480 WeakPolarHBondContact O-CB 3.31Å; V70-L480 HydrophobicContact CB-CB 4.37Å; V70-L480 HydrophobicContact CG1-CB 3.74Å; V74-L480 HydrophobicContact CG1-CD2 4.08Å; V74-L480 HydrophobicContact CG2-CD2 4.21Å; L366-L480 HydrophobicContact CD1-CD2 4.08Å; L366-L480 HydrophobicContact CD1-CG 4.48Å; L366-L480 HydrophobicContact CD2-CD2 4.1Å; F368-L480 HydrophobicContact CE1-CD1 3.69Å; F368-L480 HydrophobicContact CZ-CD1 4.17Å; T387-L480 PolarHBondContact O-N 2.98Å; G388-L480 CarbonylContact C-O 3.28Å; G388-L480 WeakPolarHBondContact CA-O 3.37Å; A389-L480 PolarHBondContact N-O 2.94Å; A478-L480 VanDerWaalsContact C-N 3.3Å
481	Y	98.2	Very high	96.7	Very high	49 Å²	49	32.5 Å²	32.5	19%	0.192	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	150	172.7	63.1	-83.7	0	0	0	111.2	F69 A389 I391 L394 L474	F69-Y481 HydrophobicContact CB-CD1 4.07Å; F69-Y481 HydrophobicContact CB-CD2 4.1Å; F69-Y481 HydrophobicContact CB-CE1 3.57Å; F69-Y481 HydrophobicContact CB-CE2 3.6Å; F69-Y481 HydrophobicContact CB-CG 4.31Å; F69-Y481 HydrophobicContact CD2-CD2 4.35Å; F69-Y481 AromaticContact CD2-CE2 3.91Å; F69-Y481 HydrophobicContact CD2-CE2 3.91Å; F69-Y481 AromaticContact CG-CE2 3.88Å; F69-Y481 HydrophobicContact CG-CE2 3.88Å; F69-Y481 AromaticContact CG-CZ 3.9Å; F69-Y481 PolarHBondContact N-O 2.87Å; F69-Y481 PolarHBondContact O-N 2.9Å; A389-Y481 VanDerWaalsContact O-CA 3.24Å; A389-Y481 WeakPolarHBondContact O-CA 3.36Å; I391-Y481 HydrophobicContact CD1-CD2 4.1Å; I391-Y481 HydrophobicContact CD1-CG 4.29Å; L394-Y481 HydrophobicContact CD1-CD2 4.44Å; L394-Y481 HydrophobicContact CD1-CE2 4.05Å; L394-Y481 HydrophobicContact CD2-CD2 3.85Å; L394-Y481 HydrophobicContact CD2-CE2 4.1Å; L474-Y481 HydrophobicContact CD2-CG 4.46Å
482	T	98.5	Very high	96.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	160.3	-175.1	177.8	0	0	0	0	109.4	D67 A389 V390 I391 R484 N487	D67-T482 PolarHBondContact O-OG1 3.23Å; A389-T482 PolarHBondContact O-N 3.44Å; V390-T482 CarbonylContact C-O 3.59Å; V390-T482 WeakPolarHBondContact CA-O 3.1Å; I391-T482 PolarHBondContact N-O 3.26Å; T482-R484 VanDerWaalsContact C-N 3.34Å; T482-R484 VanDerWaalsContact CG2-O 3.24Å; T482-R484 WeakPolarHBondContact CG2-O 3.48Å; T482-R484 PolarHBondContact OG1-O 2.95Å; T482-N487 WeakPolarHBondContact OG1-CB 3.5Å; T482-N487 PolarHBondContact OG1-ND2 3.2Å
483	S	97.8	Very high	96.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-68.5	-34.8	175.2	65.1	0	0	0	0	113.1	V390 I391 E395 N487	V390-S483 WeakPolarHBondContact CG1-O 3.3Å; I391-S483 VanDerWaalsContact O-CA 3.31Å; I391-S483 WeakPolarHBondContact O-CA 3.32Å; E395-S483 WeakPolarHBondContact CG-OG 3.31Å; E395-S483 VanDerWaalsContact OE1-CB 3.29Å; E395-S483 WeakPolarHBondContact OE1-CB 3.43Å; E395-S483 PolarHBondContact OE1-OG 3.45Å; S483-N487 PolarHBondContact OG-ND2 3.33Å
484	R	98	Very high	97.1	Very high	79 Å²	79	35.6 Å²	35.6	30%	0.298	18%	0.183	S	C	.	.			trans	-150	148.6	-178.3	-61.3	-178.1	172.2	173.1	-3.1	110	T482 T486 N487	T482-R484 VanDerWaalsContact C-N 3.34Å; T482-R484 VanDerWaalsContact CG2-O 3.24Å; T482-R484 WeakPolarHBondContact CG2-O 3.48Å; T482-R484 PolarHBondContact OG1-O 2.95Å; R484-T486 PolarHBondContact O-N 2.8Å; R484-N487 WeakPolarHBondContact O-CB 3.24Å; R484-N487 PolarHBondContact O-N 3.08Å
485	V	98.5	Very high	97.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-61.9	-30.3	178	-61.2	0	0	0	0	112.5	F84 T89 L90 L261 F264 F368 V390 N487 L488	F84-V485 HydrophobicContact CD1-CG1 4.17Å; F84-V485 HydrophobicContact CE1-CB 4.32Å; F84-V485 HydrophobicContact CE1-CG1 4.17Å; T89-V485 HydrophobicContact CG2-CG1 4.46Å; L90-V485 HydrophobicContact CD2-CG2 4.28Å; L261-V485 HydrophobicContact CD1-CG2 3.99Å; F264-V485 HydrophobicContact CD1-CG2 4.09Å; F264-V485 HydrophobicContact CE1-CB 3.95Å; F264-V485 HydrophobicContact CE1-CG2 3.91Å; F264-V485 HydrophobicContact CZ-CB 4.49Å; F368-V485 HydrophobicContact CB-CG1 4.04Å; F368-V485 HydrophobicContact CD1-CG1 3.69Å; F368-V485 HydrophobicContact CD2-CG1 4.48Å; F368-V485 HydrophobicContact CE1-CG1 4.26Å; F368-V485 HydrophobicContact CG-CG1 3.82Å; V390-V485 HydrophobicContact CG2-CG1 3.69Å; V485-N487 PolarHBondContact O-N 2.94Å; V485-N487 VanDerWaalsContact O-N 3.13Å; V485-L488 WeakPolarHBondContact O-CB 3.41Å; V485-L488 PolarHBondContact O-N 3.04Å; V485-L488 VanDerWaalsContact O-N 3.13Å
486	T	98.4	Very high	97.5	Very high	21 Å²	21	38 Å²	38	13%	0.129	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-64	-17.3	179.2	52.6	0	0	0	0	113.7	Q260 L261 F264 R484 L488 L489	Q260-T486 HydrophobicContact CB-CG2 4.13Å; L261-T486 HydrophobicContact CB-CG2 4.23Å; L261-T486 HydrophobicContact CD1-CG2 4.12Å; F264-T486 HydrophobicContact CB-CG2 4.23Å; R484-T486 PolarHBondContact O-N 2.8Å; T486-L488 PolarHBondContact O-N 2.64Å; T486-L489 WeakPolarHBondContact O-CB 3.42Å; T486-L489 WeakPolarHBondContact O-CG 3.45Å; T486-L489 PolarHBondContact O-N 3.08Å
487	N	98.4	Very high	97.8	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-62.5	-22.7	175.3	-65.9	-6.2	0	0	0	111.8	R66 V68 T482 S483 R484 V485 L489 H490	R66-N487 WeakPolarHBondContact CA-ND2 3.27Å; R66-N487 VanDerWaalsContact O-CB 3.29Å; R66-N487 WeakPolarHBondContact O-CB 2.75Å; R66-N487 PolarHBondContact O-ND2 3.49Å; V68-N487 HydrophobicContact CG2-CB 4.05Å; T482-N487 WeakPolarHBondContact OG1-CB 3.5Å; T482-N487 PolarHBondContact OG1-ND2 3.2Å; S483-N487 PolarHBondContact OG-ND2 3.33Å; R484-N487 WeakPolarHBondContact O-CB 3.24Å; R484-N487 PolarHBondContact O-N 3.08Å; V485-N487 PolarHBondContact O-N 2.94Å; V485-N487 VanDerWaalsContact O-N 3.13Å; N487-L489 PolarHBondContact O-N 3.15Å; N487-L489 VanDerWaalsContact O-N 3.16Å; N487-H490 WeakPolarHBondContact O-CB 3.33Å; N487-H490 PolarHBondContact O-CD2 2.98Å; N487-H490 PolarHBondContact O-N 2.64Å; N487-H490 VanDerWaalsContact O-N 3.17Å
488	L	98.2	Very high	97.9	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-63	-15.3	170.3	-72.3	170.4	0	0	0	113.2	V68 L76 F264 R267 F368 V485 T486 H490 F491 F497	V68-L488 HydrophobicContact CG1-CD2 4.37Å; V68-L488 HydrophobicContact CG2-CD2 4.01Å; V68-L488 HydrophobicContact CG2-CG 4.35Å; L76-L488 HydrophobicContact CD1-CD2 4.43Å; F264-L488 HydrophobicContact CD2-CB 4.47Å; F264-L488 HydrophobicContact CE2-CB 3.71Å; F264-L488 HydrophobicContact CE2-CD1 4.14Å; F264-L488 HydrophobicContact CZ-CB 4.27Å; F264-L488 HydrophobicContact CZ-CD1 3.92Å; R267-L488 VanDerWaalsContact NH2-C 3.34Å; R267-L488 PolarHBondContact NH2-O 3.48Å; F368-L488 HydrophobicContact CE1-CD1 4.2Å; F368-L488 HydrophobicContact CE2-CD1 4.1Å; F368-L488 HydrophobicContact CZ-CD1 3.43Å; F368-L488 VanDerWaalsContact CZ-CD1 3.43Å; V485-L488 WeakPolarHBondContact O-CB 3.41Å; V485-L488 PolarHBondContact O-N 3.04Å; V485-L488 VanDerWaalsContact O-N 3.13Å; T486-L488 PolarHBondContact O-N 2.64Å; L488-H490 PolarHBondContact O-N 2.64Å; L488-F491 PolarHBondContact O-N 3.09Å; L488-F497 HydrophobicContact CD2-CE2 4.22Å; L488-F497 HydrophobicContact CD2-CZ 4.25Å
489	L	97.7	Very high	97.8	Very high	34 Å²	34	41.6 Å²	41.6	18%	0.178	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-60.6	-26.8	172.8	-76.7	171.3	0	0	0	113	Q260 T263 F264 R267 T486 N487 F491	Q260-L489 HydrophobicContact CB-CD1 3.66Å; Q260-L489 HydrophobicContact CG-CD1 4.35Å; T263-L489 HydrophobicContact CG2-CD2 4.37Å; F264-L489 HydrophobicContact CB-CD1 3.98Å; F264-L489 HydrophobicContact CB-CD2 3.97Å; F264-L489 HydrophobicContact CB-CG 3.88Å; F264-L489 HydrophobicContact CD2-CD2 4.14Å; F264-L489 HydrophobicContact CD2-CG 4.07Å; F264-L489 HydrophobicContact CG-CG 4.41Å; R267-L489 PolarHBondContact NH1-O 2.84Å; R267-L489 VanDerWaalsContact NH1-O 3.08Å; T486-L489 WeakPolarHBondContact O-CB 3.42Å; T486-L489 WeakPolarHBondContact O-CG 3.45Å; T486-L489 PolarHBondContact O-N 3.08Å; N487-L489 PolarHBondContact O-N 3.15Å; N487-L489 VanDerWaalsContact O-N 3.16Å; L489-F491 PolarHBondContact O-N 3.34Å
490	H	96.9	Very high	97.5	Very high	115 Å²	115	49.1 Å²	49.1	53%	0.532	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-72	-7.7	179.8	-57.1	-47.7	0	0	0	113.6	N487 L488	N487-H490 WeakPolarHBondContact O-CB 3.33Å; N487-H490 PolarHBondContact O-CD2 2.98Å; N487-H490 PolarHBondContact O-N 2.64Å; N487-H490 VanDerWaalsContact O-N 3.17Å; L488-H490 PolarHBondContact O-N 2.64Å
491	F	98	Very high	97	Very high	33 Å²	33	57 Å²	57	15%	0.145	26%	0.264	C	S	.	.	S	Bend	trans	-121.6	141.9	-176.4	-55.3	-86.4	0	0	0	111	D67 V68 L76 R267 L488 L489 H495 F497	D67-F491 WeakPolarHBondContact OD1-CZ 3.31Å; V68-F491 HydrophobicContact CB-CE2 4.21Å; V68-F491 HydrophobicContact CG2-CD2 4.44Å; V68-F491 HydrophobicContact CG2-CE2 3.93Å; L76-F491 HydrophobicContact CD1-CB 4.44Å; R267-F491 PolarHBondContact NH1-O 2.9Å; L488-F491 PolarHBondContact O-N 3.09Å; L489-F491 PolarHBondContact O-N 3.34Å; F491-H495 HydrophobicContact CB-CB 4.03Å; F491-H495 AromaticContact CD1-CD2 3.65Å; F491-H495 AromaticContact CD1-CE1 3.87Å; F491-H495 AromaticContact CD1-CG 3.84Å; F491-H495 AromaticContact CD1-ND1 3.97Å; F491-H495 AromaticContact CD1-NE2 3.69Å; F491-H495 AromaticContact CE1-NE2 3.96Å; F491-F497 HydrophobicContact CB-CZ 4.31Å; F491-F497 AromaticContact CD1-CE1 3.84Å; F491-F497 HydrophobicContact CD1-CE1 3.84Å; F491-F497 AromaticContact CD1-CZ 3.88Å; F491-F497 HydrophobicContact CD1-CZ 3.88Å; F491-F497 HydrophobicContact CD2-CE1 4.14Å; F491-F497 AromaticContact CD2-CZ 3.71Å; F491-F497 HydrophobicContact CD2-CZ 3.71Å; F491-F497 AromaticContact CE1-CE1 3.64Å; F491-F497 HydrophobicContact CE1-CE1 3.64Å; F491-F497 HydrophobicContact CE1-CZ 4.1Å; F491-F497 AromaticContact CE2-CE1 3.95Å; F491-F497 HydrophobicContact CE2-CE1 3.95Å; F491-F497 AromaticContact CE2-CZ 3.95Å; F491-F497 HydrophobicContact CE2-CZ 3.95Å; F491-F497 HydrophobicContact CG-CE1 4.09Å; F491-F497 AromaticContact CG-CZ 3.68Å; F491-F497 HydrophobicContact CG-CZ 3.68Å; F491-F497 AromaticContact CZ-CE1 3.7Å; F491-F497 HydrophobicContact CZ-CE1 3.7Å; F491-F497 HydrophobicContact CZ-CZ 4.14Å
492	P	97.6	Very high	96.4	Very high	72 Å²	72	60.4 Å²	60.4	47%	0.468	29%	0.29	S	S	.	.			trans	-68	154.9	168	31.9	-35.7	0	0	0	110.2	D494 H495	P492-D494 VanDerWaalsContact CB-OD1 3.31Å; P492-D494 WeakPolarHBondContact CB-OD1 3.48Å; P492-D494 WeakPolarHBondContact CG-OD1 3.45Å; P492-D494 PolarHBondContact O-N 3.45Å; P492-D494 VanDerWaalsContact O-N 3.09Å; P492-H495 HydrophobicContact CG-CB 4.16Å; P492-H495 WeakPolarHBondContact O-CB 3.34Å; P492-H495 PolarHBondContact O-N 2.96Å
493	L	97.4	Very high	95.9	Very high	26 Å²	26	63.1 Å²	63.1	14%	0.136	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-0.6	-175.8	-64.4	178.5	0	0	0	114.1	L76 N77 L268 N271	L76-L493 CarbonylContact C-O 3.58Å; L76-L493 VanDerWaalsContact CB-O 3.22Å; L76-L493 WeakPolarHBondContact CB-O 3.3Å; N77-L493 WeakPolarHBondContact CA-O 3.45Å; N77-L493 PolarHBondContact N-O 3.46Å; L268-L493 HydrophobicContact CD2-CD1 4.44Å; L268-L493 HydrophobicContact CD2-CD2 3.78Å; N271-L493 HydrophobicContact CB-CD1 3.37Å
494	D	97.2	Very high	95.5	Very high	104 Å²	104	67.5 Å²	67.5	56%	0.556	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	3.2	170.9	66.2	-11.7	0	0	0	113.8	N77 P492	N77-D494 HydrophobicContact CB-CB 4.2Å; P492-D494 VanDerWaalsContact CB-OD1 3.31Å; P492-D494 WeakPolarHBondContact CB-OD1 3.48Å; P492-D494 WeakPolarHBondContact CG-OD1 3.45Å; P492-D494 PolarHBondContact O-N 3.45Å; P492-D494 VanDerWaalsContact O-N 3.09Å
495	H	98.3	Very high	95.1	Very high	62 Å²	62	70.3 Å²	70.3	29%	0.287	37%	0.365	S	S	.	.			trans	-59.1	143.4	176.4	-170.5	77.1	0	0	0	111.7	L76 F491 P492 F497	L76-H495 WeakPolarHBondContact CB-O 3.46Å; L76-H495 HydrophobicContact CD1-CB 4.16Å; L76-H495 PolarHBondContact N-O 3.46Å; F491-H495 HydrophobicContact CB-CB 4.03Å; F491-H495 AromaticContact CD1-CD2 3.65Å; F491-H495 AromaticContact CD1-CE1 3.87Å; F491-H495 AromaticContact CD1-CG 3.84Å; F491-H495 AromaticContact CD1-ND1 3.97Å; F491-H495 AromaticContact CD1-NE2 3.69Å; F491-H495 AromaticContact CE1-NE2 3.96Å; P492-H495 HydrophobicContact CG-CB 4.16Å; P492-H495 WeakPolarHBondContact O-CB 3.34Å; P492-H495 PolarHBondContact O-N 2.96Å; H495-F497 AromaticContact CD2-CD1 3.68Å; H495-F497 AromaticContact CD2-CD2 3.79Å; H495-F497 AromaticContact CD2-CE1 3.6Å; H495-F497 AromaticContact CD2-CE2 3.72Å; H495-F497 AromaticContact CD2-CG 3.77Å; H495-F497 AromaticContact CD2-CZ 3.62Å; H495-F497 AromaticContact NE2-CD1 3.6Å; H495-F497 AromaticContact NE2-CE1 3.7Å
496	T	98.4	Very high	94.8	Very high	29 Å²	29	77.3 Å²	77.3	18%	0.178	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.7	172.4	-59.4	0	0	0	0	109.2	E73 V74 K75 Y498	E73-T496 HydrophobicContact CG-CG2 4.11Å; V74-T496 CarbonylContact O-C 3.43Å; V74-T496 VanDerWaalsContact O-CA 3.32Å; V74-T496 WeakPolarHBondContact O-CA 3.46Å; K75-T496 HydrophobicContact CG-CG2 3.73Å; T496-Y498 HydrophobicContact CG2-CD1 4.44Å; T496-Y498 HydrophobicContact CG2-CD2 4.42Å; T496-Y498 HydrophobicContact CG2-CE1 3.82Å; T496-Y498 HydrophobicContact CG2-CE2 3.79Å; T496-Y498 VanDerWaalsContact CG2-CZ 3.46Å
497	F	98.2	Very high	94.4	Very high	14 Å²	14	78.4 Å²	78.4	6%	0.061	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	135.3	172.8	-62.5	-83.8	0	0	0	110.3	V68 V70 E73 V74 L76 L488 F491 H495	V68-F497 HydrophobicContact CB-CE1 3.84Å; V68-F497 HydrophobicContact CB-CZ 3.92Å; V68-F497 HydrophobicContact CG1-CE1 4.06Å; V68-F497 HydrophobicContact CG1-CE2 4.34Å; V68-F497 HydrophobicContact CG1-CZ 3.93Å; V68-F497 HydrophobicContact CG2-CZ 4.46Å; V70-F497 HydrophobicContact CB-CB 4.2Å; V70-F497 HydrophobicContact CG1-CB 3.38Å; V70-F497 HydrophobicContact CG1-CD1 4.23Å; V70-F497 HydrophobicContact CG1-CD2 4.3Å; V70-F497 HydrophobicContact CG1-CG 3.75Å; V70-F497 HydrophobicContact CG2-CB 3.79Å; E73-F497 WeakPolarHBondContact CA-O 3.43Å; V74-F497 HydrophobicContact CB-CB 4.28Å; V74-F497 HydrophobicContact CB-CD2 4.2Å; V74-F497 HydrophobicContact CG1-CD2 4.39Å; V74-F497 PolarHBondContact N-O 2.97Å; V74-F497 PolarHBondContact O-N 2.89Å; L76-F497 HydrophobicContact CD1-CE2 3.88Å; L76-F497 HydrophobicContact CD2-CE2 4.1Å; L76-F497 HydrophobicContact CG-CD2 4.41Å; L76-F497 HydrophobicContact CG-CE2 3.97Å; L488-F497 HydrophobicContact CD2-CE2 4.22Å; L488-F497 HydrophobicContact CD2-CZ 4.25Å; F491-F497 HydrophobicContact CB-CZ 4.31Å; F491-F497 AromaticContact CD1-CE1 3.84Å; F491-F497 HydrophobicContact CD1-CE1 3.84Å; F491-F497 AromaticContact CD1-CZ 3.88Å; F491-F497 HydrophobicContact CD1-CZ 3.88Å; F491-F497 HydrophobicContact CD2-CE1 4.14Å; F491-F497 AromaticContact CD2-CZ 3.71Å; F491-F497 HydrophobicContact CD2-CZ 3.71Å; F491-F497 AromaticContact CE1-CE1 3.64Å; F491-F497 HydrophobicContact CE1-CE1 3.64Å; F491-F497 HydrophobicContact CE1-CZ 4.1Å; F491-F497 AromaticContact CE2-CE1 3.95Å; F491-F497 HydrophobicContact CE2-CE1 3.95Å; F491-F497 AromaticContact CE2-CZ 3.95Å; F491-F497 HydrophobicContact CE2-CZ 3.95Å; F491-F497 HydrophobicContact CG-CE1 4.09Å; F491-F497 AromaticContact CG-CZ 3.68Å; F491-F497 HydrophobicContact CG-CZ 3.68Å; F491-F497 AromaticContact CZ-CE1 3.7Å; F491-F497 HydrophobicContact CZ-CE1 3.7Å; F491-F497 HydrophobicContact CZ-CZ 4.14Å; H495-F497 AromaticContact CD2-CD1 3.68Å; H495-F497 AromaticContact CD2-CD2 3.79Å; H495-F497 AromaticContact CD2-CE1 3.6Å; H495-F497 AromaticContact CD2-CE2 3.72Å; H495-F497 AromaticContact CD2-CG 3.77Å; H495-F497 AromaticContact CD2-CZ 3.62Å; H495-F497 AromaticContact NE2-CD1 3.6Å; H495-F497 AromaticContact NE2-CE1 3.7Å
498	Y	97.3	Very high	93.4	Very high	157 Å²	157	84 Å²	84	62%	0.616	44%	0.439	S	S	*	.			trans	-114.4	131.3	174.8	-61.3	-80.1	0	0	0	110	E73 T496	E73-Y498 HydrophobicContact CG-CD1 4.07Å; E73-Y498 HydrophobicContact CG-CE1 4.14Å; T496-Y498 HydrophobicContact CG2-CD1 4.44Å; T496-Y498 HydrophobicContact CG2-CD2 4.42Å; T496-Y498 HydrophobicContact CG2-CE1 3.82Å; T496-Y498 HydrophobicContact CG2-CE2 3.79Å; T496-Y498 VanDerWaalsContact CG2-CZ 3.46Å
499	P	95	Very high	91.7	Very high	53 Å²	53	94 Å²	94	34%	0.344	48%	0.483	S	S	.	.			trans	-69.1	147.2	178.8	29	-34.6	0	0	0	110.7	V70 R501	V70-P499 HydrophobicContact CG2-CB 4.1Å; V70-P499 WeakPolarHBondContact O-CB 3.5Å; P499-R501 PolarHBondContact O-N 3.01Å
500	K	90.4	Very high	91.4	Very high	175 Å²	175	97 Å²	97	76%	0.761	50%	0.499	S	S	*	.			trans	-69.1	131.6	169.8	-68.9	-176.3	179.7	179.5	0	109.1	T502	K500-T502 PolarHBondContact O-N 3.49Å; K500-T502 VanDerWaalsContact O-N 3.1Å
501	R	89.1	Confident	91.1	Very high	165 Å²	165	96 Å²	96	62%	0.623	50%	0.497	S	S	*	.			trans	-62.2	113.2	174.1	-170.1	-178.9	-173.9	-69.4	-2.8	109.4	P499 E507	P499-R501 PolarHBondContact O-N 3.01Å; R501-E507 IonicContact CZ-OE1 3.94Å; R501-E507 IonicContact CZ-OE2 2.87Å; R501-E507 IonicContact NH1-OE1 2.83Å; R501-E507 PolarHBondContact NH1-OE1 3.17Å; R501-E507 IonicContact NH1-OE2 2.86Å; R501-E507 PolarHBondContact NH1-OE2 3.38Å; R501-E507 IonicContact NH2-OE1 3.87Å; R501-E507 PolarHBondContact NH2-OE1 3.47Å; R501-E507 IonicContact NH2-OE2 3.92Å
502	T	85.6	Confident	90.7	Very high	121 Å²	121	99.5 Å²	99.5	74%	0.742	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-81.4	121.4	175	-61.9	0	0	0	0	108.9	K500 L504	K500-T502 PolarHBondContact O-N 3.49Å; K500-T502 VanDerWaalsContact O-N 3.1Å; T502-L504 PolarHBondContact O-N 3.19Å
503	A	87.1	Confident	90.3	Very high	58 Å²	58	101.1 Å²	101.1	48%	0.479	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-66.8	129.7	178.8	0	0	0	0	0	111.1	E507 F509	A503-E507 WeakPolarHBondContact CA-OE2 3.48Å; A503-F509 HydrophobicContact CB-CD2 4.16Å
504	L	90.6	Very high	89.9	Confident	92 Å²	92	105.8 Å²	105.8	48%	0.482	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-75.5	156.1	169.7	-59.7	177.7	0	0	0	110	T502 H506 E507	T502-L504 PolarHBondContact O-N 3.19Å; L504-H506 VanDerWaalsContact CD1-CE1 3.49Å; L504-H506 WeakPolarHBondContact CD1-CE1 3.38Å; L504-H506 PolarHBondContact O-N 3.25Å; L504-E507 HydrophobicContact CB-CG 3.97Å; L504-E507 PolarHBondContact N-OE2 3.02Å; L504-E507 WeakPolarHBondContact O-CB 3.35Å; L504-E507 PolarHBondContact O-N 3.48Å
505	P	88.8	Confident	89.4	Confident	138 Å²	138	105.9 Å²	105.9	90%	0.896	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.9	-176.3	-28.3	35.9	0	0	0	116.1
506	H	91.9	Very high	88.7	Confident	149 Å²	149	109.1 Å²	109.1	69%	0.69	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	0.7	179.3	60.3	-94.4	0	0	0	113.6	L504	L504-H506 VanDerWaalsContact CD1-CE1 3.49Å; L504-H506 WeakPolarHBondContact CD1-CE1 3.38Å; L504-H506 PolarHBondContact O-N 3.25Å
507	E	89.6	Confident	88	Confident	44 Å²	44	115.2 Å²	115.2	21%	0.206	59%	0.59	C	S	.	*			trans	-92	125.2	-177.4	-63.9	-179.9	149.4	0	0	110.9	R501 A503 L504 F509	R501-E507 IonicContact CZ-OE1 3.94Å; R501-E507 IonicContact CZ-OE2 2.87Å; R501-E507 IonicContact NH1-OE1 2.83Å; R501-E507 PolarHBondContact NH1-OE1 3.17Å; R501-E507 IonicContact NH1-OE2 2.86Å; R501-E507 PolarHBondContact NH1-OE2 3.38Å; R501-E507 IonicContact NH2-OE1 3.87Å; R501-E507 PolarHBondContact NH2-OE1 3.47Å; R501-E507 IonicContact NH2-OE2 3.92Å; A503-E507 WeakPolarHBondContact CA-OE2 3.48Å; L504-E507 HydrophobicContact CB-CG 3.97Å; L504-E507 PolarHBondContact N-OE2 3.02Å; L504-E507 WeakPolarHBondContact O-CB 3.35Å; L504-E507 PolarHBondContact O-N 3.48Å; E507-F509 HydrophobicContact CB-CD2 3.87Å; E507-F509 HydrophobicContact CB-CE2 3.7Å; E507-F509 HydrophobicContact CG-CE2 4.37Å; E507-F509 PolarHBondContact O-N 3.07Å
508	S	78.7	Confident	87.2	Confident	120 Å²	120	123.7 Å²	123.7	84%	0.839	63%	0.634	S	S	*	*			trans	-87.5	96.4	176.4	57.7	0	0	0	0	109.9
509	F	61.9	Low	86.2	Confident	212 Å²	212	120.6 Å²	120.6	93%	0.93	64%	0.636	S	S	*	*			trans	-118	0	167.2	-68	-76.9	0	0	0	110.8	A503 E507	A503-F509 HydrophobicContact CB-CD2 4.16Å; E507-F509 HydrophobicContact CB-CD2 3.87Å; E507-F509 HydrophobicContact CB-CE2 3.7Å; E507-F509 HydrophobicContact CG-CE2 4.37Å; E507-F509 PolarHBondContact O-N 3.07Å

Retrieved 509 of 509 residues in 400 ms (Link to these results)

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