A0A077ZKR2_TRITR Loading...

Serpin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKR2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 481 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	23.7	Very low	46.5	Very low	228 Å²	228	121.3 Å²	121.3	100%	1.123	56%	0.56	S	S	*	*				0	-32.5	0	-114.8	168.6	-177.3	0	0	114.2	R3	M1-R3 PolarHBondContact O-N 3.34Å
2	M	26.1	Very low	48	Very low	169 Å²	169	118.4 Å²	118.4	83%	0.833	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-77	-11.8	-172.6	-71.1	-120	-98.3	0	0	117.6
3	R	34.5	Very low	49	Very low	240 Å²	240	112.3 Å²	112.3	91%	0.906	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-79.5	-13.1	-179.7	-77.4	-173	-179.6	176.5	0.3	115.5	M1	M1-R3 PolarHBondContact O-N 3.34Å
4	K	39	Very low	49.5	Very low	202 Å²	202	104.4 Å²	104.4	88%	0.878	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-96.3	-3.4	-177.3	-80	-172.5	176.3	-178.7	0	115.1
5	L	38	Very low	50.3	Low	131 Å²	131	102.3 Å²	102.3	69%	0.686	48%	0.482	S	S	*	.	S	Bend	trans	-95.2	-0.9	-172.7	-88	158.2	0	0	0	115.6
6	S	60	Low	50.9	Low	32 Å²	32	99.8 Å²	99.8	22%	0.224	48%	0.479	C	S	.	.	H	α-helix	trans	-80.5	-39.5	-174.1	62.8	0	0	0	0	114.1	L10	S6-L10 PolarHBondContact O-N 2.95Å
7	G	54.2	Low	50.7	Low	6 Å²	6	95.9 Å²	95.9	6%	0.062	46%	0.463	C	S	.	.	H	α-helix	trans	-71.7	-41.7	-171.4	0	0	0	0	0	114.3	L10 L11 I60	G7-L10 WeakPolarHBondContact O-CB 3.47Å; G7-L10 PolarHBondContact O-N 3.49Å; G7-L11 PolarHBondContact O-N 3.16Å; G7-I60 VanDerWaalsContact CA-CD1 3.47Å
8	K	61.5	Low	50.1	Low	143 Å²	143	93.8 Å²	93.8	62%	0.622	45%	0.454	S	S	*	.	H	α-helix	trans	-65.5	-43	178.5	-168.3	176.9	179.6	-178.5	0	111.5	L10 L11 D12	K8-L10 VanDerWaalsContact C-N 3.3Å; K8-L10 PolarHBondContact O-N 3.2Å; K8-L11 CarbonylContact O-C 3.6Å; K8-L11 WeakPolarHBondContact O-CB 3.49Å; K8-L11 PolarHBondContact O-N 3.14Å; K8-L11 VanDerWaalsContact O-N 3.08Å; K8-D12 PolarHBondContact O-N 3.34Å
9	K	63.7	Low	49.6	Very low	146 Å²	146	98.2 Å²	98.2	64%	0.635	47%	0.473	S	S	*	.	H	α-helix	trans	-61.7	-39.1	176.8	-162.8	175.9	-175.5	-179.7	0	112.3	D12 L13	K9-D12 PolarHBondContact O-N 3.09Å; K9-L13 HydrophobicContact CG-CD1 4.46Å; K9-L13 WeakPolarHBondContact O-CB 3.05Å; K9-L13 WeakPolarHBondContact O-CD1 3.45Å; K9-L13 WeakPolarHBondContact O-CG 2.99Å; K9-L13 PolarHBondContact O-N 3.28Å
10	L	55.1	Low	49.1	Very low	1 Å²	1	104.3 Å²	104.3	1%	0.005	49%	0.491	C	S	.	.	H	α-helix	trans	-62.6	-42.6	173	-112.7	161.9	0	0	0	111.8	S6 G7 K8 F14 R53 F72 A75	S6-L10 PolarHBondContact O-N 2.95Å; G7-L10 WeakPolarHBondContact O-CB 3.47Å; G7-L10 PolarHBondContact O-N 3.49Å; K8-L10 VanDerWaalsContact C-N 3.3Å; K8-L10 PolarHBondContact O-N 3.2Å; L10-F14 WeakPolarHBondContact O-CB 3.18Å; L10-F14 PolarHBondContact O-N 3.5Å; L10-R53 HydrophobicContact CD1-CB 3.99Å; L10-R53 HydrophobicContact CD1-CG 4.23Å; L10-F72 HydrophobicContact CD2-CE2 4.2Å; L10-A75 HydrophobicContact CD2-CB 4Å
11	L	55.7	Low	48.4	Very low	36 Å²	36	108.1 Å²	108.1	19%	0.188	51%	0.506	C	S	.	.	H	α-helix	trans	-65.2	-41.9	175.7	-177.4	60.1	0	0	0	112.1	G7 K8 F14 N15 F57 I60 T61	G7-L11 PolarHBondContact O-N 3.16Å; K8-L11 CarbonylContact O-C 3.6Å; K8-L11 WeakPolarHBondContact O-CB 3.49Å; K8-L11 PolarHBondContact O-N 3.14Å; K8-L11 VanDerWaalsContact O-N 3.08Å; L11-F14 HydrophobicContact CD1-CD1 4.36Å; L11-F14 WeakPolarHBondContact O-CB 3.31Å; L11-F14 PolarHBondContact O-N 3.08Å; L11-N15 WeakPolarHBondContact O-CB 3.38Å; L11-N15 VanDerWaalsContact O-CG 3.23Å; L11-N15 PolarHBondContact O-N 3.07Å; L11-N15 PolarHBondContact O-ND2 3.03Å; L11-F57 HydrophobicContact CD1-CE2 4.19Å; L11-I60 HydrophobicContact CD2-CG2 3.78Å; L11-T61 HydrophobicContact CD1-CG2 3.49Å; L11-T61 VanDerWaalsContact CD1-CG2 3.49Å; L11-T61 HydrophobicContact CD2-CG2 4.37Å; L11-T61 HydrophobicContact CG-CG2 4.47Å
12	D	65.1	Low	48.7	Very low	87 Å²	87	102.9 Å²	102.9	47%	0.465	49%	0.487	S	S	.	.	H	α-helix	trans	-63.8	-45.3	178.6	-62.7	-25.8	0	0	0	110.7	K8 K9 N15 S16	K8-D12 PolarHBondContact O-N 3.34Å; K9-D12 PolarHBondContact O-N 3.09Å; D12-N15 PolarHBondContact O-N 2.66Å; D12-S16 WeakPolarHBondContact O-CB 3.19Å; D12-S16 PolarHBondContact O-N 3Å
13	L	60.1	Low	48.9	Very low	39 Å²	39	103.3 Å²	103.3	20%	0.204	49%	0.486	C	S	.	.	H	α-helix	trans	-59.9	-45.6	173	-80.9	160.1	0	0	0	111.8	K9 S16 T17 A75 E78	K9-L13 HydrophobicContact CG-CD1 4.46Å; K9-L13 WeakPolarHBondContact O-CB 3.05Å; K9-L13 WeakPolarHBondContact O-CD1 3.45Å; K9-L13 WeakPolarHBondContact O-CG 2.99Å; K9-L13 PolarHBondContact O-N 3.28Å; L13-S16 PolarHBondContact O-N 3.18Å; L13-S16 PolarHBondContact O-OG 2.83Å; L13-T17 PolarHBondContact O-N 3.47Å; L13-T17 VanDerWaalsContact O-N 3.12Å; L13-T17 PolarHBondContact O-OG1 3Å; L13-A75 HydrophobicContact CB-CB 3.85Å; L13-E78 WeakPolarHBondContact CD2-OE2 3.36Å
14	F	57.2	Low	48.8	Very low	2 Å²	2	98.4 Å²	98.4	1%	0.009	48%	0.483	C	S	.	.	H	α-helix	trans	-60.5	-49.2	177.5	179.2	-101.5	0	0	0	112.4	L10 L11 S16 T17 I18 F57 L66 S69 A71 F72 A75	L10-F14 WeakPolarHBondContact O-CB 3.18Å; L10-F14 PolarHBondContact O-N 3.5Å; L11-F14 HydrophobicContact CD1-CD1 4.36Å; L11-F14 WeakPolarHBondContact O-CB 3.31Å; L11-F14 PolarHBondContact O-N 3.08Å; F14-S16 VanDerWaalsContact C-N 3.32Å; F14-S16 PolarHBondContact O-N 3Å; F14-T17 WeakPolarHBondContact O-CA 3.42Å; F14-T17 WeakPolarHBondContact O-CB 3.36Å; F14-T17 PolarHBondContact O-N 3.45Å; F14-I18 HydrophobicContact CD1-CD1 4.23Å; F14-I18 HydrophobicContact CE1-CD1 3.36Å; F14-I18 HydrophobicContact CE1-CG1 4.1Å; F14-I18 HydrophobicContact CE2-CD1 4.15Å; F14-I18 HydrophobicContact CE2-CG1 4.4Å; F14-I18 HydrophobicContact CZ-CD1 3.33Å; F14-I18 HydrophobicContact CZ-CG1 4.03Å; F14-I18 PolarHBondContact O-N 3.07Å; F14-F57 HydrophobicContact CB-CE2 4.25Å; F14-F57 HydrophobicContact CD1-CE2 4.07Å; F14-F57 AromaticContact CD1-CZ 3.98Å; F14-F57 HydrophobicContact CD1-CZ 3.98Å; F14-F57 HydrophobicContact CD2-CE2 4.47Å; F14-F57 HydrophobicContact CD2-CZ 4.33Å; F14-F57 AromaticContact CE1-CZ 3.98Å; F14-F57 HydrophobicContact CE1-CZ 3.98Å; F14-F57 HydrophobicContact CE2-CZ 4.33Å; F14-F57 HydrophobicContact CG-CE2 4Å; F14-F57 HydrophobicContact CG-CZ 4.12Å; F14-F57 HydrophobicContact CZ-CZ 4.14Å; F14-L66 HydrophobicContact CZ-CB 4.21Å; F14-L66 HydrophobicContact CZ-CD1 4.46Å; F14-L66 HydrophobicContact CZ-CD2 3.75Å; F14-L66 HydrophobicContact CZ-CG 4.35Å; F14-S69 WeakPolarHBondContact CE2-OG 3.1Å; F14-A71 HydrophobicContact CD2-CB 4.14Å; F14-A71 HydrophobicContact CE2-CB 3.93Å; F14-F72 HydrophobicContact CD2-CB 4.05Å; F14-F72 HydrophobicContact CD2-CD2 4.47Å; F14-F72 HydrophobicContact CE2-CB 3.91Å; F14-A75 HydrophobicContact CB-CB 4.38Å
15	N	60.3	Low	48.5	Very low	73 Å²	73	97.4 Å²	97.4	39%	0.39	48%	0.481	S	S	.	.	H	α-helix	trans	-61.4	-41.3	178.4	-72	-18.4	0	0	0	111.2	L11 D12 T17 I18 E19	L11-N15 WeakPolarHBondContact O-CB 3.38Å; L11-N15 VanDerWaalsContact O-CG 3.23Å; L11-N15 PolarHBondContact O-N 3.07Å; L11-N15 PolarHBondContact O-ND2 3.03Å; D12-N15 PolarHBondContact O-N 2.66Å; N15-T17 PolarHBondContact O-N 2.91Å; N15-I18 PolarHBondContact O-N 3.22Å; N15-E19 PolarHBondContact O-N 2.76Å; N15-E19 VanDerWaalsContact O-N 3.08Å
16	S	59.8	Low	48.4	Very low	61 Å²	61	95.5 Å²	95.5	43%	0.427	47%	0.471	S	S	.	.	H	α-helix	trans	-62.2	-25.7	175.1	81.6	0	0	0	0	113.3	D12 L13 F14	D12-S16 WeakPolarHBondContact O-CB 3.19Å; D12-S16 PolarHBondContact O-N 3Å; L13-S16 PolarHBondContact O-N 3.18Å; L13-S16 PolarHBondContact O-OG 2.83Å; F14-S16 VanDerWaalsContact C-N 3.32Å; F14-S16 PolarHBondContact O-N 3Å
17	T	48.3	Very low	47.3	Very low	35 Å²	35	99 Å²	99	22%	0.215	49%	0.493	C	S	.	.	H	α-helix	trans	-83.6	-37.7	178.6	-52.4	0	0	0	0	111.3	L13 F14 N15 R20 A71	L13-T17 PolarHBondContact O-N 3.47Å; L13-T17 VanDerWaalsContact O-N 3.12Å; L13-T17 PolarHBondContact O-OG1 3Å; F14-T17 WeakPolarHBondContact O-CA 3.42Å; F14-T17 WeakPolarHBondContact O-CB 3.36Å; F14-T17 PolarHBondContact O-N 3.45Å; N15-T17 PolarHBondContact O-N 2.91Å; T17-R20 PolarHBondContact O-N 3.37Å; T17-A71 HydrophobicContact CG2-CB 3.61Å
18	I	40.2	Very low	46.4	Very low	57 Å²	57	107.6 Å²	107.6	29%	0.292	53%	0.529	S	S	.	.	H	α-helix	trans	-69.1	-37.9	177.4	-76	-163.6	0	0	0	112.5	F14 N15 R20 K21 A71	F14-I18 HydrophobicContact CD1-CD1 4.23Å; F14-I18 HydrophobicContact CE1-CD1 3.36Å; F14-I18 HydrophobicContact CE1-CG1 4.1Å; F14-I18 HydrophobicContact CE2-CD1 4.15Å; F14-I18 HydrophobicContact CE2-CG1 4.4Å; F14-I18 HydrophobicContact CZ-CD1 3.33Å; F14-I18 HydrophobicContact CZ-CG1 4.03Å; F14-I18 PolarHBondContact O-N 3.07Å; N15-I18 PolarHBondContact O-N 3.22Å; I18-R20 PolarHBondContact O-N 3.47Å; I18-K21 CarbonylContact O-C 3.6Å; I18-K21 PolarHBondContact O-N 3.35Å; I18-A71 HydrophobicContact CG1-CB 4.41Å
19	E	40.8	Very low	45.4	Very low	177 Å²	177	107.6 Å²	107.6	83%	0.827	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-14.8	177.4	-79.9	-175	173.3	0	0	113	N15	N15-E19 PolarHBondContact O-N 2.76Å; N15-E19 VanDerWaalsContact O-N 3.08Å
20	R	39.3	Very low	44.6	Very low	220 Å²	220	104.1 Å²	104.1	83%	0.83	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-18.6	176.7	-67.1	-172.9	179.4	-172.6	0.1	115.5	T17 I18	T17-R20 PolarHBondContact O-N 3.37Å; I18-R20 PolarHBondContact O-N 3.47Å
21	K	33.5	Very low	44.4	Very low	185 Å²	185	109.3 Å²	109.3	80%	0.804	54%	0.541	S	S	*	.			trans	-155.4	110.3	-175.9	-68.4	-168.8	178.1	-178.1	0	112	I18	I18-K21 CarbonylContact O-C 3.6Å; I18-K21 PolarHBondContact O-N 3.35Å
22	V	30	Very low	44	Very low	118 Å²	118	114.2 Å²	114.2	72%	0.715	56%	0.563	S	S	*	*			trans	-101	145.2	169.5	170.8	0	0	0	0	109.6
23	E	31.4	Very low	43.3	Very low	178 Å²	178	114 Å²	114	83%	0.832	56%	0.556	S	S	*	*			trans	73.8	97.7	165.9	-83.5	170.5	-165.6	0	0	119.5
24	V	32.8	Very low	43	Very low	138 Å²	138	114.3 Å²	114.3	84%	0.836	56%	0.556	S	S	*	*			trans	-145.1	129.2	141.9	-173.6	0	0	0	0	110.4	I26	V24-I26 HydrophobicContact CG1-CD1 3.74Å
25	H	31.8	Very low	42.9	Very low	180 Å²	180	117.9 Å²	117.9	83%	0.833	58%	0.575	S	S	*	*			trans	-119.5	106.5	-177.1	-162.4	55.8	0	0	0	108.9
26	I	36.7	Very low	42.5	Very low	91 Å²	91	118.9 Å²	118.9	47%	0.467	58%	0.577	S	S	.	*			trans	-151.1	120.5	162.2	-65.9	99.1	0	0	0	110.8	V24 K28 F29	V24-I26 HydrophobicContact CG1-CD1 3.74Å; I26-K28 HydrophobicContact CG2-CB 4.29Å; I26-K28 PolarHBondContact O-N 3.42Å; I26-F29 HydrophobicContact CB-CD2 4.02Å; I26-F29 HydrophobicContact CG2-CD2 3.83Å
27	P	36	Very low	42.4	Very low	107 Å²	107	117 Å²	117	70%	0.695	56%	0.563	S	S	*	*	H	α-helix	trans	-64.4	-32.5	-179.2	-23	32.5	0	0	0	116.2	K30	P27-K30 WeakPolarHBondContact O-CB 3.16Å; P27-K30 PolarHBondContact O-N 3.44Å
28	K	36.5	Very low	42.9	Very low	186 Å²	186	122.2 Å²	122.2	81%	0.809	58%	0.582	S	S	*	*	H	α-helix	trans	-66.6	-39.1	-176.8	-114.3	-177.3	178.5	-177	0	112.9	I26 K30	I26-K28 HydrophobicContact CG2-CB 4.29Å; I26-K28 PolarHBondContact O-N 3.42Å; K28-K30 PolarHBondContact O-N 3.4Å
29	F	40.1	Very low	43.6	Very low	143 Å²	143	123.8 Å²	123.8	63%	0.627	58%	0.584	S	S	*	*	H	α-helix	trans	-64.3	-25.7	174.6	-82.1	-84.3	0	0	0	112.5	I26 L31 Y33	I26-F29 HydrophobicContact CB-CD2 4.02Å; I26-F29 HydrophobicContact CG2-CD2 3.83Å; F29-L31 PolarHBondContact O-N 2.99Å; F29-Y33 WeakPolarHBondContact O-CB 3.42Å; F29-Y33 PolarHBondContact O-N 3.49Å
30	K	46.8	Very low	44.1	Very low	73 Å²	73	118.3 Å²	118.3	32%	0.317	56%	0.563	S	S	.	*	H	α-helix	trans	-61.5	-45.7	-178.2	-160.5	179.3	178.9	-179.3	0	111.7	P27 K28 E34 D65 V68	P27-K30 WeakPolarHBondContact O-CB 3.16Å; P27-K30 PolarHBondContact O-N 3.44Å; K28-K30 PolarHBondContact O-N 3.4Å; K30-E34 WeakPolarHBondContact O-CG 3.44Å; K30-E34 PolarHBondContact O-N 3.4Å; K30-E34 VanDerWaalsContact O-N 3.12Å; K30-D65 IonicContact NZ-OD1 2.99Å; K30-D65 PolarHBondContact NZ-OD1 2.91Å; K30-V68 HydrophobicContact CB-CG1 4.42Å; K30-V68 HydrophobicContact CD-CG2 4.23Å; K30-V68 VanDerWaalsContact CE-CG2 3.4Å; K30-V68 HydrophobicContact CG-CB 3.87Å; K30-V68 HydrophobicContact CG-CG1 3.61Å; K30-V68 HydrophobicContact CG-CG2 3.8Å
31	L	49.6	Very low	45	Very low	110 Å²	110	108.2 Å²	108.2	58%	0.576	53%	0.526	S	S	*	.	H	α-helix	trans	-70.1	-42.6	-175.7	-172.8	69.1	0	0	0	112.4	F29 E34 L35	F29-L31 PolarHBondContact O-N 2.99Å; L31-E34 PolarHBondContact O-N 3.02Å; L31-L35 HydrophobicContact CD1-CD1 4.35Å; L31-L35 HydrophobicContact CG-CD1 4.06Å; L31-L35 WeakPolarHBondContact O-CD1 3.35Å; L31-L35 PolarHBondContact O-N 2.96Å; L31-L35 VanDerWaalsContact O-N 3.07Å
32	E	47.4	Very low	46	Very low	138 Å²	138	106.3 Å²	106.3	65%	0.645	52%	0.52	S	S	*	.	H	α-helix	trans	-67.4	-41.7	-177.1	-155.8	160.3	-141.9	0	0	111.2	L35 Q36	E32-L35 PolarHBondContact O-N 2.75Å; E32-Q36 PolarHBondContact O-N 3.33Å
33	Y	51.7	Low	46.8	Very low	84 Å²	84	108.9 Å²	108.9	33%	0.329	52%	0.517	S	S	.	.	H	α-helix	trans	-65.7	-41.3	175.6	-148.1	-70	0	0	0	112.2	F29 L35 Q36 L37 H73	F29-Y33 WeakPolarHBondContact O-CB 3.42Å; F29-Y33 PolarHBondContact O-N 3.49Å; Y33-L35 VanDerWaalsContact C-N 3.33Å; Y33-L35 PolarHBondContact O-N 2.93Å; Y33-Q36 PolarHBondContact O-N 3.35Å; Y33-L37 WeakPolarHBondContact O-CB 3.33Å; Y33-L37 PolarHBondContact O-N 2.85Å; Y33-H73 AromaticContact CD1-CE1 3.47Å; Y33-H73 VanDerWaalsContact CD1-CE1 3.47Å; Y33-H73 WeakPolarHBondContact CD1-CE1 3.22Å; Y33-H73 AromaticContact CD1-ND1 3.57Å; Y33-H73 AromaticContact CE1-CE1 3.5Å; Y33-H73 VanDerWaalsContact CE1-CE1 3.5Å; Y33-H73 WeakPolarHBondContact CE1-CE1 3.49Å; Y33-H73 AromaticContact CE1-ND1 3.07Å; Y33-H73 WeakPolarHBondContact CE1-ND1 3.43Å
34	E	53.7	Low	47.8	Very low	45 Å²	45	104.6 Å²	104.6	21%	0.21	50%	0.499	C	S	.	.	H	α-helix	trans	-60.1	-42.3	174.5	-83	-175.9	176.7	0	0	112.6	K30 L31 K38 Y67 V68	K30-E34 WeakPolarHBondContact O-CG 3.44Å; K30-E34 PolarHBondContact O-N 3.4Å; K30-E34 VanDerWaalsContact O-N 3.12Å; L31-E34 PolarHBondContact O-N 3.02Å; E34-K38 WeakPolarHBondContact O-CB 3.33Å; E34-K38 PolarHBondContact O-N 3.44Å; E34-Y67 HydrophobicContact CG-CE2 4.11Å; E34-Y67 VanDerWaalsContact OE1-CE2 3.26Å; E34-Y67 WeakPolarHBondContact OE1-CE2 3.39Å; E34-Y67 PolarHBondContact OE1-OH 2.98Å; E34-V68 HydrophobicContact CG-CG1 3.71Å; E34-V68 HydrophobicContact CG-CG2 4.09Å; E34-V68 VanDerWaalsContact OE1-CG2 3.29Å; E34-V68 WeakPolarHBondContact OE1-CG2 3.11Å
35	L	54.1	Low	48.9	Very low	76 Å²	76	100.7 Å²	100.7	40%	0.398	49%	0.487	S	S	.	.	H	α-helix	trans	-65.2	-44.8	177.1	-99.4	132.6	0	0	0	111.4	L31 E32 Y33 K38 R39	L31-L35 HydrophobicContact CD1-CD1 4.35Å; L31-L35 HydrophobicContact CG-CD1 4.06Å; L31-L35 WeakPolarHBondContact O-CD1 3.35Å; L31-L35 PolarHBondContact O-N 2.96Å; L31-L35 VanDerWaalsContact O-N 3.07Å; E32-L35 PolarHBondContact O-N 2.75Å; Y33-L35 VanDerWaalsContact C-N 3.33Å; Y33-L35 PolarHBondContact O-N 2.93Å; L35-K38 PolarHBondContact O-N 3Å; L35-R39 VanDerWaalsContact CD2-NH2 3.32Å; L35-R39 VanDerWaalsContact O-CG 3.24Å; L35-R39 WeakPolarHBondContact O-CG 3.37Å; L35-R39 PolarHBondContact O-N 2.82Å; L35-R39 VanDerWaalsContact O-N 3.09Å
36	Q	51.9	Low	50.6	Low	94 Å²	94	93.2 Å²	93.2	44%	0.439	45%	0.453	S	S	.	.	H	α-helix	trans	-61.6	-46.6	176.8	-168.6	178.2	8.6	0	0	111.1	E32 Y33 R39 T40	E32-Q36 PolarHBondContact O-N 3.33Å; Y33-Q36 PolarHBondContact O-N 3.35Å; Q36-R39 PolarHBondContact O-N 3.05Å; Q36-T40 PolarHBondContact O-N 3.42Å; Q36-T40 PolarHBondContact O-OG1 2.95Å; Q36-T40 VanDerWaalsContact O-OG1 3.1Å
37	L	58.2	Low	52.2	Low	22 Å²	22	91.5 Å²	91.5	12%	0.115	45%	0.447	C	S	.	.	H	α-helix	trans	-61.1	-50.5	177.3	-176.9	82.1	0	0	0	112	Y33 R39 T40 L41 F50 H73	Y33-L37 WeakPolarHBondContact O-CB 3.33Å; Y33-L37 PolarHBondContact O-N 2.85Å; L37-R39 PolarHBondContact O-N 3.28Å; L37-T40 PolarHBondContact O-N 3.47Å; L37-T40 VanDerWaalsContact O-N 3.14Å; L37-L41 HydrophobicContact CD1-CD1 4.43Å; L37-L41 HydrophobicContact CD2-CD1 3.97Å; L37-L41 HydrophobicContact CG-CD1 3.78Å; L37-L41 HydrophobicContact CG-CG 4.23Å; L37-L41 WeakPolarHBondContact O-CB 3.28Å; L37-L41 VanDerWaalsContact O-CG 3.27Å; L37-L41 WeakPolarHBondContact O-CG 3.35Å; L37-L41 PolarHBondContact O-N 2.75Å; L37-F50 HydrophobicContact CD2-CD2 4.43Å; L37-F50 HydrophobicContact CD2-CE1 3.9Å; L37-F50 HydrophobicContact CD2-CE2 3.62Å; L37-F50 HydrophobicContact CD2-CZ 3.31Å; L37-H73 HydrophobicContact CD1-CB 4.41Å; L37-H73 VanDerWaalsContact CD2-CD2 3.48Å; L37-H73 WeakPolarHBondContact CD2-CD2 3.48Å; L37-H73 WeakPolarHBondContact CD2-NE2 3.27Å
38	K	58.2	Low	53.9	Low	144 Å²	144	91.5 Å²	91.5	63%	0.626	44%	0.441	S	S	*	.	H	α-helix	trans	-53.2	-42.5	178	-94.8	-176.9	174.8	175.2	0	110.9	E34 L35 L41 Q42	E34-K38 WeakPolarHBondContact O-CB 3.33Å; E34-K38 PolarHBondContact O-N 3.44Å; L35-K38 PolarHBondContact O-N 3Å; K38-L41 PolarHBondContact O-N 3.48Å; K38-Q42 VanDerWaalsContact O-CB 3.27Å; K38-Q42 WeakPolarHBondContact O-CB 3.38Å; K38-Q42 PolarHBondContact O-N 2.85Å
39	R	56	Low	55.6	Low	90 Å²	90	84 Å²	84	34%	0.34	41%	0.409	S	S	.	.	H	α-helix	trans	-67.6	-45.3	178.3	-71.1	171.7	-170.4	168.8	4	112.5	L35 Q36 L37 L41 Q42 R43 I360	L35-R39 VanDerWaalsContact CD2-NH2 3.32Å; L35-R39 VanDerWaalsContact O-CG 3.24Å; L35-R39 WeakPolarHBondContact O-CG 3.37Å; L35-R39 PolarHBondContact O-N 2.82Å; L35-R39 VanDerWaalsContact O-N 3.09Å; Q36-R39 PolarHBondContact O-N 3.05Å; L37-R39 PolarHBondContact O-N 3.28Å; R39-L41 VanDerWaalsContact C-N 3.3Å; R39-L41 PolarHBondContact O-N 2.72Å; R39-Q42 PolarHBondContact O-N 3.36Å; R39-R43 VanDerWaalsContact O-CB 3.26Å; R39-R43 WeakPolarHBondContact O-CB 3.26Å; R39-R43 PolarHBondContact O-N 3.05Å; R39-I360 VanDerWaalsContact CZ-CG2 3.42Å
40	T	50.8	Low	57.1	Low	63 Å²	63	77.9 Å²	77.9	39%	0.387	38%	0.382	S	S	.	.	H	α-helix	trans	-58.6	-45.1	175.3	-59.5	0	0	0	0	110.6	Q36 L37 Q42 R43 L44	Q36-T40 PolarHBondContact O-N 3.42Å; Q36-T40 PolarHBondContact O-OG1 2.95Å; Q36-T40 VanDerWaalsContact O-OG1 3.1Å; L37-T40 PolarHBondContact O-N 3.47Å; L37-T40 VanDerWaalsContact O-N 3.14Å; T40-Q42 PolarHBondContact O-N 3.36Å; T40-R43 PolarHBondContact O-N 3.25Å; T40-L44 HydrophobicContact CG2-CD1 3.87Å; T40-L44 WeakPolarHBondContact O-CB 3.36Å; T40-L44 WeakPolarHBondContact O-CG 3.3Å; T40-L44 PolarHBondContact O-N 2.85Å
41	L	58.2	Low	58.4	Low	8 Å²	8	77.6 Å²	77.6	4%	0.042	39%	0.389	C	S	.	.	H	α-helix	trans	-63.2	-41.3	176.5	-67.8	169.3	0	0	0	112.2	L37 K38 R39 L44 G45 L46 F50 F76	L37-L41 HydrophobicContact CD1-CD1 4.43Å; L37-L41 HydrophobicContact CD2-CD1 3.97Å; L37-L41 HydrophobicContact CG-CD1 3.78Å; L37-L41 HydrophobicContact CG-CG 4.23Å; L37-L41 WeakPolarHBondContact O-CB 3.28Å; L37-L41 VanDerWaalsContact O-CG 3.27Å; L37-L41 WeakPolarHBondContact O-CG 3.35Å; L37-L41 PolarHBondContact O-N 2.75Å; K38-L41 PolarHBondContact O-N 3.48Å; R39-L41 VanDerWaalsContact C-N 3.3Å; R39-L41 PolarHBondContact O-N 2.72Å; L41-L44 CarbonylContact O-C 3.5Å; L41-L44 PolarHBondContact O-N 3.31Å; L41-G45 PolarHBondContact O-N 3.19Å; L41-L46 HydrophobicContact CD2-CB 3.81Å; L41-L46 PolarHBondContact O-N 3.41Å; L41-F50 HydrophobicContact CD1-CB 3.58Å; L41-F50 HydrophobicContact CD1-CD1 3.61Å; L41-F50 HydrophobicContact CD1-CD2 3.64Å; L41-F50 HydrophobicContact CD1-CE1 4.18Å; L41-F50 HydrophobicContact CD1-CE2 4.21Å; L41-F50 HydrophobicContact CD1-CG 3.3Å; L41-F50 HydrophobicContact CD1-CZ 4.46Å; L41-F50 HydrophobicContact CD2-CB 4.01Å; L41-F50 HydrophobicContact CD2-CD2 4.25Å; L41-F50 HydrophobicContact CD2-CG 4.31Å; L41-F50 HydrophobicContact CG-CB 4.4Å; L41-F50 HydrophobicContact CG-CG 4.44Å; L41-F76 HydrophobicContact CD2-CE1 3.74Å; L41-F76 HydrophobicContact CD2-CZ 4.33Å
42	Q	53.4	Low	59.5	Low	144 Å²	144	78.3 Å²	78.3	67%	0.673	39%	0.389	S	S	*	.	H	α-helix	trans	-68.4	-41.7	178.7	-156.4	170.7	14	0	0	111.3	K38 R39 T40 L44 G45	K38-Q42 VanDerWaalsContact O-CB 3.27Å; K38-Q42 WeakPolarHBondContact O-CB 3.38Å; K38-Q42 PolarHBondContact O-N 2.85Å; R39-Q42 PolarHBondContact O-N 3.36Å; T40-Q42 PolarHBondContact O-N 3.36Å; Q42-L44 PolarHBondContact O-N 3.49Å; Q42-G45 PolarHBondContact O-N 2.66Å
43	R	48.3	Very low	60.7	Low	173 Å²	173	72.7 Å²	72.7	65%	0.653	36%	0.363	S	S	*	.	H	α-helix	trans	-61.5	-33.4	174.2	-166.7	-173.5	-74.7	-179.9	-2.4	111.5	R39 T40 D357	R39-R43 VanDerWaalsContact O-CB 3.26Å; R39-R43 WeakPolarHBondContact O-CB 3.26Å; R39-R43 PolarHBondContact O-N 3.05Å; T40-R43 PolarHBondContact O-N 3.25Å; R43-D357 IonicContact CZ-OD1 2.8Å; R43-D357 IonicContact NH1-OD1 3.05Å; R43-D357 PolarHBondContact NH1-OD1 3.07Å; R43-D357 IonicContact NH1-OD2 2.67Å; R43-D357 IonicContact NH2-OD1 2.81Å; R43-D357 PolarHBondContact NH2-OD1 3.28Å
44	L	52.4	Low	61.7	Low	87 Å²	87	70 Å²	70	46%	0.455	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.2	178.2	-63.1	175.3	0	0	0	114.1	T40 L41 Q42 L46	T40-L44 HydrophobicContact CG2-CD1 3.87Å; T40-L44 WeakPolarHBondContact O-CB 3.36Å; T40-L44 WeakPolarHBondContact O-CG 3.3Å; T40-L44 PolarHBondContact O-N 2.85Å; L41-L44 CarbonylContact O-C 3.5Å; L41-L44 PolarHBondContact O-N 3.31Å; Q42-L44 PolarHBondContact O-N 3.49Å; L44-L46 VanDerWaalsContact C-N 3.34Å; L44-L46 HydrophobicContact CB-CD1 3.8Å; L44-L46 HydrophobicContact CB-CG 3.79Å; L44-L46 HydrophobicContact CD1-CD1 4.08Å; L44-L46 PolarHBondContact O-N 2.86Å
45	G	55.3	Low	62.6	Low	57 Å²	57	70.6 Å²	70.6	59%	0.588	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	26.1	-176.2	0	0	0	0	0	115	L41 Q42	L41-G45 PolarHBondContact O-N 3.19Å; Q42-G45 PolarHBondContact O-N 2.66Å
46	L	67.7	Low	63.4	Low	22 Å²	22	69.5 Å²	69.5	12%	0.115	36%	0.361	C	S	.	.			trans	-104.6	6.8	-172.1	-58.1	179.6	0	0	0	114.5	L41 L44 D48 M49 F50 I80 T85	L41-L46 HydrophobicContact CD2-CB 3.81Å; L41-L46 PolarHBondContact O-N 3.41Å; L44-L46 VanDerWaalsContact C-N 3.34Å; L44-L46 HydrophobicContact CB-CD1 3.8Å; L44-L46 HydrophobicContact CB-CG 3.79Å; L44-L46 HydrophobicContact CD1-CD1 4.08Å; L44-L46 PolarHBondContact O-N 2.86Å; L46-D48 PolarHBondContact O-N 3.16Å; L46-M49 HydrophobicContact CB-CE 4.3Å; L46-M49 HydrophobicContact CD1-CE 4.37Å; L46-M49 HydrophobicContact CD2-CE 3.78Å; L46-M49 HydrophobicContact CG-CE 4.36Å; L46-M49 PolarHBondContact O-N 3.07Å; L46-F50 PolarHBondContact O-N 2.74Å; L46-I80 HydrophobicContact CD1-CD1 3.82Å; L46-T85 HydrophobicContact CD2-CG2 4.23Å
47	T	69.5	Low	64.2	Low	56 Å²	56	65.1 Å²	65.1	34%	0.344	34%	0.34	S	S	.	.	H	α-helix	trans	-57.6	-43.5	-172.7	-41.3	0	0	0	0	113.5	S51	T47-S51 PolarHBondContact O-N 3.19Å; T47-S51 PolarHBondContact O-OG 3.49Å
48	D	71.7	Confident	64.7	Low	106 Å²	106	66 Å²	66	57%	0.567	35%	0.345	S	S	*	.	H	α-helix	trans	-65.3	-46.6	179.9	-61.3	-20.2	0	0	0	111.3	L46 F50 S51 E52 K88	L46-D48 PolarHBondContact O-N 3.16Å; D48-F50 VanDerWaalsContact C-N 3.31Å; D48-F50 PolarHBondContact O-N 2.7Å; D48-S51 PolarHBondContact O-N 3.33Å; D48-S51 VanDerWaalsContact O-N 3.16Å; D48-E52 PolarHBondContact O-N 3.26Å; D48-K88 IonicContact OD2-NZ 3.59Å; D48-K88 PolarHBondContact OD2-NZ 3.15Å
49	M	71.8	Confident	65.3	Low	28 Å²	28	67.6 Å²	67.6	14%	0.138	35%	0.352	C	S	.	.	H	α-helix	trans	-65.4	-38.1	-178.3	-176.2	-179.9	65.8	0	0	111.2	L46 R53 F76 I80 H84	L46-M49 HydrophobicContact CB-CE 4.3Å; L46-M49 HydrophobicContact CD1-CE 4.37Å; L46-M49 HydrophobicContact CD2-CE 3.78Å; L46-M49 HydrophobicContact CG-CE 4.36Å; L46-M49 PolarHBondContact O-N 3.07Å; M49-R53 WeakPolarHBondContact O-CB 3.13Å; M49-R53 WeakPolarHBondContact O-CG 3.41Å; M49-R53 PolarHBondContact O-N 3.17Å; M49-R53 VanDerWaalsContact O-N 3.11Å; M49-F76 HydrophobicContact CE-CE1 4.48Å; M49-F76 HydrophobicContact CE-CZ 3.86Å; M49-I80 HydrophobicContact CE-CB 4.32Å; M49-I80 HydrophobicContact CE-CD1 3.94Å; M49-I80 HydrophobicContact CE-CG1 3.7Å; M49-I80 HydrophobicContact CE-CG2 3.87Å; M49-I80 HydrophobicContact SD-CG2 4.44Å; M49-H84 HydrophobicContact SD-CB 4.31Å
50	F	72.9	Confident	65.9	Low	16 Å²	16	67.4 Å²	67.4	7%	0.07	36%	0.356	C	S	.	.	H	α-helix	trans	-60.6	-48.4	171.7	-176.5	-97.3	0	0	0	111.6	L37 L41 L46 D48 E52 R53 L54 F72 F76	L37-F50 HydrophobicContact CD2-CD2 4.43Å; L37-F50 HydrophobicContact CD2-CE1 3.9Å; L37-F50 HydrophobicContact CD2-CE2 3.62Å; L37-F50 HydrophobicContact CD2-CZ 3.31Å; L41-F50 HydrophobicContact CD1-CB 3.58Å; L41-F50 HydrophobicContact CD1-CD1 3.61Å; L41-F50 HydrophobicContact CD1-CD2 3.64Å; L41-F50 HydrophobicContact CD1-CE1 4.18Å; L41-F50 HydrophobicContact CD1-CE2 4.21Å; L41-F50 HydrophobicContact CD1-CG 3.3Å; L41-F50 HydrophobicContact CD1-CZ 4.46Å; L41-F50 HydrophobicContact CD2-CB 4.01Å; L41-F50 HydrophobicContact CD2-CD2 4.25Å; L41-F50 HydrophobicContact CD2-CG 4.31Å; L41-F50 HydrophobicContact CG-CB 4.4Å; L41-F50 HydrophobicContact CG-CG 4.44Å; L46-F50 PolarHBondContact O-N 2.74Å; D48-F50 VanDerWaalsContact C-N 3.31Å; D48-F50 PolarHBondContact O-N 2.7Å; F50-E52 PolarHBondContact O-N 2.94Å; F50-R53 PolarHBondContact O-N 3.4Å; F50-L54 HydrophobicContact CE1-CB 4.46Å; F50-L54 HydrophobicContact CE1-CD2 3.86Å; F50-L54 HydrophobicContact CZ-CD2 4.42Å; F50-L54 WeakPolarHBondContact O-CB 3.44Å; F50-L54 PolarHBondContact O-N 2.82Å; F50-F72 HydrophobicContact CE2-CD1 4.45Å; F50-F72 AromaticContact CE2-CE1 3.79Å; F50-F72 HydrophobicContact CE2-CE1 3.79Å; F50-F72 HydrophobicContact CZ-CE1 4.05Å; F50-F76 VanDerWaalsContact CA-CE2 3.48Å; F50-F76 HydrophobicContact CB-CE1 4.33Å; F50-F76 HydrophobicContact CB-CE2 4.02Å; F50-F76 HydrophobicContact CB-CZ 3.68Å; F50-F76 AromaticContact CD2-CD1 3.89Å; F50-F76 HydrophobicContact CD2-CD1 3.89Å; F50-F76 AromaticContact CD2-CD2 3.82Å; F50-F76 HydrophobicContact CD2-CD2 3.82Å; F50-F76 AromaticContact CD2-CE1 3.79Å; F50-F76 HydrophobicContact CD2-CE1 3.79Å; F50-F76 AromaticContact CD2-CE2 3.71Å; F50-F76 HydrophobicContact CD2-CE2 3.71Å; F50-F76 AromaticContact CD2-CG 3.91Å; F50-F76 HydrophobicContact CD2-CG 3.91Å; F50-F76 AromaticContact CD2-CZ 3.7Å; F50-F76 HydrophobicContact CD2-CZ 3.7Å; F50-F76 HydrophobicContact CE2-CD1 4.44Å; F50-F76 HydrophobicContact CE2-CD2 4.39Å; F50-F76 HydrophobicContact CE2-CG 4.27Å; F50-F76 HydrophobicContact CG-CE2 4.3Å; F50-F76 HydrophobicContact CG-CZ 4.19Å
51	S	72.8	Confident	66.9	Low	66 Å²	66	66 Å²	66	46%	0.462	35%	0.348	S	S	.	.	H	α-helix	trans	-60.7	-44.3	-179.2	-57.2	0	0	0	0	112.3	T47 D48 A55	T47-S51 PolarHBondContact O-N 3.19Å; T47-S51 PolarHBondContact O-OG 3.49Å; D48-S51 PolarHBondContact O-N 3.33Å; D48-S51 VanDerWaalsContact O-N 3.16Å; S51-A55 WeakPolarHBondContact O-CB 3.39Å; S51-A55 PolarHBondContact O-N 3Å
52	E	73.7	Confident	67.6	Low	125 Å²	125	68.6 Å²	68.6	58%	0.584	38%	0.377	S	S	*	.	H	α-helix	trans	-63.7	-44.1	177.8	-171.5	-173	168.6	0	0	112	D48 F50 A55 N56	D48-E52 PolarHBondContact O-N 3.26Å; F50-E52 PolarHBondContact O-N 2.94Å; E52-A55 PolarHBondContact O-N 3.43Å; E52-N56 PolarHBondContact O-N 2.91Å; E52-N56 PolarHBondContact O-ND2 2.82Å
53	R	71.9	Confident	68.2	Low	21 Å²	21	67 Å²	67	8%	0.079	37%	0.368	C	S	.	.	H	α-helix	trans	-71.9	-37	-179.5	-72.7	-176.8	178.3	-139.9	-3.6	112.4	L10 M49 F50 N56 F57 F76 S79	L10-R53 HydrophobicContact CD1-CB 3.99Å; L10-R53 HydrophobicContact CD1-CG 4.23Å; M49-R53 WeakPolarHBondContact O-CB 3.13Å; M49-R53 WeakPolarHBondContact O-CG 3.41Å; M49-R53 PolarHBondContact O-N 3.17Å; M49-R53 VanDerWaalsContact O-N 3.11Å; F50-R53 PolarHBondContact O-N 3.4Å; R53-N56 PolarHBondContact O-N 3.35Å; R53-F57 WeakPolarHBondContact O-CB 3.43Å; R53-F57 PolarHBondContact O-N 3.1Å; R53-F76 HydrophobicContact CB-CD2 4.24Å; R53-F76 HydrophobicContact CB-CE2 4.03Å; R53-F76 HydrophobicContact CG-CE2 4.35Å; R53-S79 VanDerWaalsContact NH1-C 3.26Å; R53-S79 VanDerWaalsContact NH1-CB 3.25Å; R53-S79 PolarHBondContact NH1-O 3.23Å; R53-S79 PolarHBondContact NH1-OG 3.43Å
54	L	72.3	Confident	69	Low	27 Å²	27	67.7 Å²	67.7	14%	0.141	37%	0.37	C	S	.	.	H	α-helix	trans	-59.4	-48.3	172.3	176.8	55.9	0	0	0	110.7	F50 N56 F57 I58 Y67 F72	F50-L54 HydrophobicContact CE1-CB 4.46Å; F50-L54 HydrophobicContact CE1-CD2 3.86Å; F50-L54 HydrophobicContact CZ-CD2 4.42Å; F50-L54 WeakPolarHBondContact O-CB 3.44Å; F50-L54 PolarHBondContact O-N 2.82Å; L54-N56 VanDerWaalsContact C-N 3.31Å; L54-N56 PolarHBondContact O-N 2.86Å; L54-F57 PolarHBondContact O-N 3.38Å; L54-I58 HydrophobicContact CD1-CD1 3.74Å; L54-I58 HydrophobicContact CD1-CG1 4.01Å; L54-I58 HydrophobicContact CG-CD1 3.86Å; L54-I58 VanDerWaalsContact O-CG1 3.29Å; L54-I58 WeakPolarHBondContact O-CG1 3.27Å; L54-I58 PolarHBondContact O-N 2.8Å; L54-Y67 HydrophobicContact CD1-CD1 3.85Å; L54-Y67 HydrophobicContact CD1-CD2 4.42Å; L54-Y67 HydrophobicContact CD1-CG 3.59Å; L54-Y67 HydrophobicContact CD2-CD1 4.37Å; L54-Y67 HydrophobicContact CD2-CD2 4.25Å; L54-Y67 HydrophobicContact CD2-CG 4.13Å; L54-F72 HydrophobicContact CD1-CE1 4.29Å; L54-F72 HydrophobicContact CD1-CZ 4.22Å
55	A	73.2	Confident	69.4	Low	58 Å²	58	69 Å²	69	48%	0.479	38%	0.378	S	S	.	.	H	α-helix	trans	-58.5	-42.8	176.4	0	0	0	0	0	112	S51 E52 K59	S51-A55 WeakPolarHBondContact O-CB 3.39Å; S51-A55 PolarHBondContact O-N 3Å; E52-A55 PolarHBondContact O-N 3.43Å; A55-K59 WeakPolarHBondContact O-CB 3.29Å; A55-K59 PolarHBondContact O-N 3.16Å
56	N	70.4	Confident	69.7	Low	53 Å²	53	68.5 Å²	68.5	28%	0.283	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-42.3	176	-80.2	-37.5	0	0	0	112.9	E52 R53 L54 K59 I60	E52-N56 PolarHBondContact O-N 2.91Å; E52-N56 PolarHBondContact O-ND2 2.82Å; R53-N56 PolarHBondContact O-N 3.35Å; L54-N56 VanDerWaalsContact C-N 3.31Å; L54-N56 PolarHBondContact O-N 2.86Å; N56-K59 PolarHBondContact O-N 2.97Å; N56-I60 VanDerWaalsContact O-CG1 3.31Å; N56-I60 WeakPolarHBondContact O-CG1 3.48Å; N56-I60 PolarHBondContact O-N 3.28Å
57	F	68.8	Low	69.3	Low	1 Å²	1	70.1 Å²	70.1	0%	0.004	37%	0.366	C	S	.	.	H	α-helix	trans	-62.1	-46.4	176.5	178.5	-96.6	0	0	0	111.4	L11 F14 R53 L54 K59 I60 T61 L66 F72	L11-F57 HydrophobicContact CD1-CE2 4.19Å; F14-F57 HydrophobicContact CB-CE2 4.25Å; F14-F57 HydrophobicContact CD1-CE2 4.07Å; F14-F57 AromaticContact CD1-CZ 3.98Å; F14-F57 HydrophobicContact CD1-CZ 3.98Å; F14-F57 HydrophobicContact CD2-CE2 4.47Å; F14-F57 HydrophobicContact CD2-CZ 4.33Å; F14-F57 AromaticContact CE1-CZ 3.98Å; F14-F57 HydrophobicContact CE1-CZ 3.98Å; F14-F57 HydrophobicContact CE2-CZ 4.33Å; F14-F57 HydrophobicContact CG-CE2 4Å; F14-F57 HydrophobicContact CG-CZ 4.12Å; F14-F57 HydrophobicContact CZ-CZ 4.14Å; R53-F57 WeakPolarHBondContact O-CB 3.43Å; R53-F57 PolarHBondContact O-N 3.1Å; L54-F57 PolarHBondContact O-N 3.38Å; F57-K59 VanDerWaalsContact C-N 3.29Å; F57-K59 PolarHBondContact O-N 2.92Å; F57-I60 PolarHBondContact O-N 2.78Å; F57-T61 HydrophobicContact CD1-CG2 4.49Å; F57-T61 HydrophobicContact CD2-CG2 4.03Å; F57-T61 HydrophobicContact CE1-CG2 4.23Å; F57-T61 HydrophobicContact CE2-CG2 3.75Å; F57-T61 HydrophobicContact CG-CG2 4.41Å; F57-T61 HydrophobicContact CZ-CG2 3.86Å; F57-T61 WeakPolarHBondContact O-CB 3.31Å; F57-T61 WeakPolarHBondContact O-CG2 3.28Å; F57-T61 PolarHBondContact O-N 3.02Å; F57-T61 PolarHBondContact O-OG1 3.36Å; F57-L66 HydrophobicContact CE1-CB 4.3Å; F57-F72 HydrophobicContact CB-CE2 3.69Å; F57-F72 HydrophobicContact CB-CZ 4.18Å; F57-F72 AromaticContact CD1-CD2 3.94Å; F57-F72 HydrophobicContact CD1-CD2 3.94Å; F57-F72 AromaticContact CD1-CE2 3.63Å; F57-F72 HydrophobicContact CD1-CE2 3.63Å; F57-F72 HydrophobicContact CD1-CZ 4.43Å; F57-F72 AromaticContact CD2-CD2 3.94Å; F57-F72 HydrophobicContact CD2-CD2 3.94Å; F57-F72 AromaticContact CD2-CE2 3.57Å; F57-F72 HydrophobicContact CD2-CE2 3.57Å; F57-F72 AromaticContact CE1-CD2 3.91Å; F57-F72 HydrophobicContact CE1-CD2 3.91Å; F57-F72 HydrophobicContact CE1-CE2 4.09Å; F57-F72 AromaticContact CE2-CD2 3.88Å; F57-F72 HydrophobicContact CE2-CD2 3.88Å; F57-F72 HydrophobicContact CE2-CE2 4.03Å; F57-F72 AromaticContact CG-CD2 3.95Å; F57-F72 HydrophobicContact CG-CD2 3.95Å; F57-F72 AromaticContact CG-CE2 3.34Å; F57-F72 HydrophobicContact CG-CE2 3.34Å; F57-F72 HydrophobicContact CG-CZ 4.23Å; F57-F72 AromaticContact CZ-CD2 3.87Å; F57-F72 HydrophobicContact CZ-CD2 3.87Å; F57-F72 HydrophobicContact CZ-CE2 4.26Å
58	I	68.5	Low	68.6	Low	42 Å²	42	68.3 Å²	68.3	22%	0.215	36%	0.356	C	S	.	.	H	α-helix	trans	-60.6	-41.3	176.4	-67.8	170	0	0	0	110.4	L54 I60 G62 R64	L54-I58 HydrophobicContact CD1-CD1 3.74Å; L54-I58 HydrophobicContact CD1-CG1 4.01Å; L54-I58 HydrophobicContact CG-CD1 3.86Å; L54-I58 VanDerWaalsContact O-CG1 3.29Å; L54-I58 WeakPolarHBondContact O-CG1 3.27Å; L54-I58 PolarHBondContact O-N 2.8Å; I58-I60 PolarHBondContact O-N 2.93Å; I58-G62 VanDerWaalsContact O-CA 3.24Å; I58-G62 WeakPolarHBondContact O-CA 3.32Å; I58-G62 PolarHBondContact O-N 3.15Å; I58-R64 HydrophobicContact CD1-CG 4.45Å; I58-R64 HydrophobicContact CG2-CG 3.68Å
59	K	71	Confident	68	Low	176 Å²	176	64.8 Å²	64.8	77%	0.765	34%	0.339	S	S	*	.	H	α-helix	trans	-63.4	-38.5	177.9	-175	176.9	179.6	176.2	0	112.9	A55 N56 F57	A55-K59 WeakPolarHBondContact O-CB 3.29Å; A55-K59 PolarHBondContact O-N 3.16Å; N56-K59 PolarHBondContact O-N 2.97Å; F57-K59 VanDerWaalsContact C-N 3.29Å; F57-K59 PolarHBondContact O-N 2.92Å
60	I	70.5	Confident	67.1	Low	86 Å²	86	70.4 Å²	70.4	44%	0.441	37%	0.365	S	S	.	.	H	α-helix	trans	-78.2	-40.4	-178.2	-67.7	168.2	0	0	0	111.4	G7 L11 N56 F57 I58	G7-I60 VanDerWaalsContact CA-CD1 3.47Å; L11-I60 HydrophobicContact CD2-CG2 3.78Å; N56-I60 VanDerWaalsContact O-CG1 3.31Å; N56-I60 WeakPolarHBondContact O-CG1 3.48Å; N56-I60 PolarHBondContact O-N 3.28Å; F57-I60 PolarHBondContact O-N 2.78Å; I58-I60 PolarHBondContact O-N 2.93Å
61	T	70.3	Confident	66.4	Low	33 Å²	33	70.5 Å²	70.5	20%	0.202	37%	0.369	C	S	.	.	H	α-helix	trans	-96.5	-18.3	-171.2	61.3	0	0	0	0	114	L11 F57 K63	L11-T61 HydrophobicContact CD1-CG2 3.49Å; L11-T61 VanDerWaalsContact CD1-CG2 3.49Å; L11-T61 HydrophobicContact CD2-CG2 4.37Å; L11-T61 HydrophobicContact CG-CG2 4.47Å; F57-T61 HydrophobicContact CD1-CG2 4.49Å; F57-T61 HydrophobicContact CD2-CG2 4.03Å; F57-T61 HydrophobicContact CE1-CG2 4.23Å; F57-T61 HydrophobicContact CE2-CG2 3.75Å; F57-T61 HydrophobicContact CG-CG2 4.41Å; F57-T61 HydrophobicContact CZ-CG2 3.86Å; F57-T61 WeakPolarHBondContact O-CB 3.31Å; F57-T61 WeakPolarHBondContact O-CG2 3.28Å; F57-T61 PolarHBondContact O-N 3.02Å; F57-T61 PolarHBondContact O-OG1 3.36Å; T61-K63 PolarHBondContact O-N 2.87Å; T61-K63 VanDerWaalsContact O-N 3.16Å; T61-K63 WeakPolarHBondContact OG1-CB 3.37Å; T61-K63 PolarHBondContact OG1-N 3.23Å; T61-K63 VanDerWaalsContact OG1-N 3.16Å
62	G	73.5	Confident	65.9	Low	64 Å²	64	67.3 Å²	67.3	66%	0.66	35%	0.347	S	S	*	.			trans	67.3	0.7	-167.4	0	0	0	0	0	114	I58 R64	I58-G62 VanDerWaalsContact O-CA 3.24Å; I58-G62 WeakPolarHBondContact O-CA 3.32Å; I58-G62 PolarHBondContact O-N 3.15Å; G62-R64 PolarHBondContact O-N 3.26Å
63	K	66.9	Low	65.2	Low	109 Å²	109	61.8 Å²	61.8	47%	0.474	32%	0.321	S	S	.	.			trans	-98	92.4	-168.1	-76	161.1	149.5	-170.2	0	111	T61 D65 L66	T61-K63 PolarHBondContact O-N 2.87Å; T61-K63 VanDerWaalsContact O-N 3.16Å; T61-K63 WeakPolarHBondContact OG1-CB 3.37Å; T61-K63 PolarHBondContact OG1-N 3.23Å; T61-K63 VanDerWaalsContact OG1-N 3.16Å; K63-D65 VanDerWaalsContact C-N 3.33Å; K63-D65 PolarHBondContact O-N 3.35Å; K63-L66 HydrophobicContact CB-CB 4.27Å; K63-L66 HydrophobicContact CB-CD1 3.78Å; K63-L66 HydrophobicContact CD-CD1 3.37Å; K63-L66 HydrophobicContact CG-CD1 3.76Å
64	R	64.4	Low	64.4	Low	188 Å²	188	66.2 Å²	66.2	71%	0.709	34%	0.341	S	S	*	.	S	Bend	trans	-68.3	-27.2	177	-75.8	-175.1	179.8	177.5	1	113.9	I58 G62 Y67	I58-R64 HydrophobicContact CD1-CG 4.45Å; I58-R64 HydrophobicContact CG2-CG 3.68Å; G62-R64 PolarHBondContact O-N 3.26Å; R64-Y67 WeakPolarHBondContact O-CD1 3.44Å; R64-Y67 WeakPolarHBondContact O-CE1 3.3Å
65	D	61.4	Low	63.8	Low	115 Å²	115	65 Å²	65	62%	0.615	33%	0.334	S	S	*	.	S	Bend	trans	-92.4	-12	-171.5	-67.6	-60.9	0	0	0	115.3	K30 K63	K30-D65 IonicContact NZ-OD1 2.99Å; K30-D65 PolarHBondContact NZ-OD1 2.91Å; K63-D65 VanDerWaalsContact C-N 3.33Å; K63-D65 PolarHBondContact O-N 3.35Å
66	L	60.7	Low	63.3	Low	47 Å²	47	62.3 Å²	62.3	25%	0.246	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-83.2	-10.4	-171	-91.1	154.9	0	0	0	114.6	F14 F57 K63 V68 S69	F14-L66 HydrophobicContact CZ-CB 4.21Å; F14-L66 HydrophobicContact CZ-CD1 4.46Å; F14-L66 HydrophobicContact CZ-CD2 3.75Å; F14-L66 HydrophobicContact CZ-CG 4.35Å; F57-L66 HydrophobicContact CE1-CB 4.3Å; K63-L66 HydrophobicContact CB-CB 4.27Å; K63-L66 HydrophobicContact CB-CD1 3.78Å; K63-L66 HydrophobicContact CD-CD1 3.37Å; K63-L66 HydrophobicContact CG-CD1 3.76Å; L66-V68 PolarHBondContact O-N 3.39Å; L66-S69 WeakPolarHBondContact O-CB 3.35Å; L66-S69 PolarHBondContact O-N 3.18Å; L66-S69 VanDerWaalsContact O-N 3.07Å; L66-S69 PolarHBondContact O-OG 3.14Å
67	Y	59.7	Low	62.8	Low	55 Å²	55	65.1 Å²	65.1	22%	0.216	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-65.7	-21.8	178.9	71.9	-93.2	0	0	0	113.4	E34 L54 R64 S69 F72 H73	E34-Y67 HydrophobicContact CG-CE2 4.11Å; E34-Y67 VanDerWaalsContact OE1-CE2 3.26Å; E34-Y67 WeakPolarHBondContact OE1-CE2 3.39Å; E34-Y67 PolarHBondContact OE1-OH 2.98Å; L54-Y67 HydrophobicContact CD1-CD1 3.85Å; L54-Y67 HydrophobicContact CD1-CD2 4.42Å; L54-Y67 HydrophobicContact CD1-CG 3.59Å; L54-Y67 HydrophobicContact CD2-CD1 4.37Å; L54-Y67 HydrophobicContact CD2-CD2 4.25Å; L54-Y67 HydrophobicContact CD2-CG 4.13Å; R64-Y67 WeakPolarHBondContact O-CD1 3.44Å; R64-Y67 WeakPolarHBondContact O-CE1 3.3Å; Y67-S69 PolarHBondContact O-N 2.7Å; Y67-F72 WeakPolarHBondContact O-CD1 3.33Å; Y67-H73 PolarHBondContact O-CD2 3.48Å; Y67-H73 PolarHBondContact O-CE1 2.98Å; Y67-H73 PolarHBondContact O-NE2 2.98Å
68	V	54.5	Low	62.2	Low	19 Å²	19	70 Å²	70	12%	0.115	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-81.9	-2.6	178	-152	0	0	0	0	112.5	K30 E34 L66	K30-V68 HydrophobicContact CB-CG1 4.42Å; K30-V68 HydrophobicContact CD-CG2 4.23Å; K30-V68 VanDerWaalsContact CE-CG2 3.4Å; K30-V68 HydrophobicContact CG-CB 3.87Å; K30-V68 HydrophobicContact CG-CG1 3.61Å; K30-V68 HydrophobicContact CG-CG2 3.8Å; E34-V68 HydrophobicContact CG-CG1 3.71Å; E34-V68 HydrophobicContact CG-CG2 4.09Å; E34-V68 VanDerWaalsContact OE1-CG2 3.29Å; E34-V68 WeakPolarHBondContact OE1-CG2 3.11Å; L66-V68 PolarHBondContact O-N 3.39Å
69	S	58.9	Low	61.9	Low	31 Å²	31	68.9 Å²	68.9	22%	0.217	34%	0.344	C	S	.	.	S	Bend	trans	-72.9	139.7	174.7	67.1	0	0	0	0	110.6	F14 L66 Y67 A71 F72 H73	F14-S69 WeakPolarHBondContact CE2-OG 3.1Å; L66-S69 WeakPolarHBondContact O-CB 3.35Å; L66-S69 PolarHBondContact O-N 3.18Å; L66-S69 VanDerWaalsContact O-N 3.07Å; L66-S69 PolarHBondContact O-OG 3.14Å; Y67-S69 PolarHBondContact O-N 2.7Å; S69-A71 PolarHBondContact O-N 2.71Å; S69-A71 VanDerWaalsContact O-N 3.13Å; S69-F72 PolarHBondContact O-N 3.36Å; S69-F72 PolarHBondContact OG-N 3.29Å; S69-H73 PolarHBondContact O-N 3.4Å
70	E	53.3	Low	61.2	Low	146 Å²	146	62.2 Å²	62.2	68%	0.682	32%	0.316	S	S	*	.	H	α-helix	trans	-51.5	-35.1	171.4	-172.3	179.4	179.4	0	0	111.4	H73 K74	E70-H73 PolarHBondContact O-N 3.36Å; E70-K74 WeakPolarHBondContact O-CB 3.36Å; E70-K74 PolarHBondContact O-N 3.42Å
71	A	57.3	Low	60.1	Low	18 Å²	18	60.4 Å²	60.4	15%	0.149	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-44.9	176	0	0	0	0	0	113.3	F14 T17 I18 S69 K74 A75	F14-A71 HydrophobicContact CD2-CB 4.14Å; F14-A71 HydrophobicContact CE2-CB 3.93Å; T17-A71 HydrophobicContact CG2-CB 3.61Å; I18-A71 HydrophobicContact CG1-CB 4.41Å; S69-A71 PolarHBondContact O-N 2.71Å; S69-A71 VanDerWaalsContact O-N 3.13Å; A71-K74 PolarHBondContact O-N 3.42Å; A71-A75 WeakPolarHBondContact O-CB 3.42Å; A71-A75 PolarHBondContact O-N 2.97Å
72	F	62.2	Low	59.1	Low	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-65.8	-42.6	177	-179.6	-98	0	0	0	111.4	L10 F14 F50 L54 F57 Y67 S69 K74 A75 F76	L10-F72 HydrophobicContact CD2-CE2 4.2Å; F14-F72 HydrophobicContact CD2-CB 4.05Å; F14-F72 HydrophobicContact CD2-CD2 4.47Å; F14-F72 HydrophobicContact CE2-CB 3.91Å; F50-F72 HydrophobicContact CE2-CD1 4.45Å; F50-F72 AromaticContact CE2-CE1 3.79Å; F50-F72 HydrophobicContact CE2-CE1 3.79Å; F50-F72 HydrophobicContact CZ-CE1 4.05Å; L54-F72 HydrophobicContact CD1-CE1 4.29Å; L54-F72 HydrophobicContact CD1-CZ 4.22Å; F57-F72 HydrophobicContact CB-CE2 3.69Å; F57-F72 HydrophobicContact CB-CZ 4.18Å; F57-F72 AromaticContact CD1-CD2 3.94Å; F57-F72 HydrophobicContact CD1-CD2 3.94Å; F57-F72 AromaticContact CD1-CE2 3.63Å; F57-F72 HydrophobicContact CD1-CE2 3.63Å; F57-F72 HydrophobicContact CD1-CZ 4.43Å; F57-F72 AromaticContact CD2-CD2 3.94Å; F57-F72 HydrophobicContact CD2-CD2 3.94Å; F57-F72 AromaticContact CD2-CE2 3.57Å; F57-F72 HydrophobicContact CD2-CE2 3.57Å; F57-F72 AromaticContact CE1-CD2 3.91Å; F57-F72 HydrophobicContact CE1-CD2 3.91Å; F57-F72 HydrophobicContact CE1-CE2 4.09Å; F57-F72 AromaticContact CE2-CD2 3.88Å; F57-F72 HydrophobicContact CE2-CD2 3.88Å; F57-F72 HydrophobicContact CE2-CE2 4.03Å; F57-F72 AromaticContact CG-CD2 3.95Å; F57-F72 HydrophobicContact CG-CD2 3.95Å; F57-F72 AromaticContact CG-CE2 3.34Å; F57-F72 HydrophobicContact CG-CE2 3.34Å; F57-F72 HydrophobicContact CG-CZ 4.23Å; F57-F72 AromaticContact CZ-CD2 3.87Å; F57-F72 HydrophobicContact CZ-CD2 3.87Å; F57-F72 HydrophobicContact CZ-CE2 4.26Å; Y67-F72 WeakPolarHBondContact O-CD1 3.33Å; S69-F72 PolarHBondContact O-N 3.36Å; S69-F72 PolarHBondContact OG-N 3.29Å; F72-K74 VanDerWaalsContact C-N 3.34Å; F72-K74 PolarHBondContact O-N 2.73Å; F72-A75 PolarHBondContact O-N 2.66Å; F72-F76 WeakPolarHBondContact O-CB 3.34Å; F72-F76 PolarHBondContact O-N 3.23Å
73	H	59.6	Low	57.4	Low	8 Å²	8	68.3 Å²	68.3	4%	0.037	33%	0.331	C	S	.	.	H	α-helix	trans	-62.6	-42.5	178.4	-63.7	145.2	0	0	0	112.3	Y33 L37 Y67 S69 E70 F76 I77	Y33-H73 AromaticContact CD1-CE1 3.47Å; Y33-H73 VanDerWaalsContact CD1-CE1 3.47Å; Y33-H73 WeakPolarHBondContact CD1-CE1 3.22Å; Y33-H73 AromaticContact CD1-ND1 3.57Å; Y33-H73 AromaticContact CE1-CE1 3.5Å; Y33-H73 VanDerWaalsContact CE1-CE1 3.5Å; Y33-H73 WeakPolarHBondContact CE1-CE1 3.49Å; Y33-H73 AromaticContact CE1-ND1 3.07Å; Y33-H73 WeakPolarHBondContact CE1-ND1 3.43Å; L37-H73 HydrophobicContact CD1-CB 4.41Å; L37-H73 VanDerWaalsContact CD2-CD2 3.48Å; L37-H73 WeakPolarHBondContact CD2-CD2 3.48Å; L37-H73 WeakPolarHBondContact CD2-NE2 3.27Å; Y67-H73 PolarHBondContact O-CD2 3.48Å; Y67-H73 PolarHBondContact O-CE1 2.98Å; Y67-H73 PolarHBondContact O-NE2 2.98Å; S69-H73 PolarHBondContact O-N 3.4Å; E70-H73 PolarHBondContact O-N 3.36Å; H73-F76 WeakPolarHBondContact O-CB 3.3Å; H73-F76 PolarHBondContact O-N 3.44Å; H73-I77 WeakPolarHBondContact O-CG1 3.45Å; H73-I77 PolarHBondContact O-N 3.32Å
74	K	55.2	Low	56	Low	115 Å²	115	69.2 Å²	69.2	50%	0.5	34%	0.337	S	S	.	.	H	α-helix	trans	-63.2	-47.3	176.4	-164.4	176.3	-179.5	-178.1	0	111.4	E70 A71 F72 F76 I77 E78	E70-K74 WeakPolarHBondContact O-CB 3.36Å; E70-K74 PolarHBondContact O-N 3.42Å; A71-K74 PolarHBondContact O-N 3.42Å; F72-K74 VanDerWaalsContact C-N 3.34Å; F72-K74 PolarHBondContact O-N 2.73Å; K74-F76 VanDerWaalsContact C-N 3.28Å; K74-F76 PolarHBondContact O-N 2.74Å; K74-I77 PolarHBondContact O-N 3.16Å; K74-E78 WeakPolarHBondContact CE-OE1 3.32Å; K74-E78 WeakPolarHBondContact O-CB 3.29Å; K74-E78 WeakPolarHBondContact O-CG 3.3Å; K74-E78 PolarHBondContact O-N 2.81Å
75	A	59.8	Low	54.9	Low	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.6	-37.7	174.5	0	0	0	0	0	112.1	L10 L13 F14 A71 F72 S79	L10-A75 HydrophobicContact CD2-CB 4Å; L13-A75 HydrophobicContact CB-CB 3.85Å; F14-A75 HydrophobicContact CB-CB 4.38Å; A71-A75 WeakPolarHBondContact O-CB 3.42Å; A71-A75 PolarHBondContact O-N 2.97Å; F72-A75 PolarHBondContact O-N 2.66Å; A75-S79 WeakPolarHBondContact O-CB 3.27Å; A75-S79 PolarHBondContact O-N 3.27Å; A75-S79 PolarHBondContact O-OG 2.8Å
76	F	63.2	Low	53.4	Low	2 Å²	2	59 Å²	59	1%	0.009	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-52.1	175	176.9	-94.9	0	0	0	111.3	L41 M49 F50 R53 F72 H73 K74 E78 S79 I80	L41-F76 HydrophobicContact CD2-CE1 3.74Å; L41-F76 HydrophobicContact CD2-CZ 4.33Å; M49-F76 HydrophobicContact CE-CE1 4.48Å; M49-F76 HydrophobicContact CE-CZ 3.86Å; F50-F76 VanDerWaalsContact CA-CE2 3.48Å; F50-F76 HydrophobicContact CB-CE1 4.33Å; F50-F76 HydrophobicContact CB-CE2 4.02Å; F50-F76 HydrophobicContact CB-CZ 3.68Å; F50-F76 AromaticContact CD2-CD1 3.89Å; F50-F76 HydrophobicContact CD2-CD1 3.89Å; F50-F76 AromaticContact CD2-CD2 3.82Å; F50-F76 HydrophobicContact CD2-CD2 3.82Å; F50-F76 AromaticContact CD2-CE1 3.79Å; F50-F76 HydrophobicContact CD2-CE1 3.79Å; F50-F76 AromaticContact CD2-CE2 3.71Å; F50-F76 HydrophobicContact CD2-CE2 3.71Å; F50-F76 AromaticContact CD2-CG 3.91Å; F50-F76 HydrophobicContact CD2-CG 3.91Å; F50-F76 AromaticContact CD2-CZ 3.7Å; F50-F76 HydrophobicContact CD2-CZ 3.7Å; F50-F76 HydrophobicContact CE2-CD1 4.44Å; F50-F76 HydrophobicContact CE2-CD2 4.39Å; F50-F76 HydrophobicContact CE2-CG 4.27Å; F50-F76 HydrophobicContact CG-CE2 4.3Å; F50-F76 HydrophobicContact CG-CZ 4.19Å; R53-F76 HydrophobicContact CB-CD2 4.24Å; R53-F76 HydrophobicContact CB-CE2 4.03Å; R53-F76 HydrophobicContact CG-CE2 4.35Å; F72-F76 WeakPolarHBondContact O-CB 3.34Å; F72-F76 PolarHBondContact O-N 3.23Å; H73-F76 WeakPolarHBondContact O-CB 3.3Å; H73-F76 PolarHBondContact O-N 3.44Å; K74-F76 VanDerWaalsContact C-N 3.28Å; K74-F76 PolarHBondContact O-N 2.74Å; F76-E78 VanDerWaalsContact C-N 3.31Å; F76-E78 PolarHBondContact O-N 3.17Å; F76-S79 WeakPolarHBondContact CA-OG 3.4Å; F76-S79 PolarHBondContact O-N 3.44Å; F76-S79 PolarHBondContact O-OG 2.97Å; F76-I80 HydrophobicContact CE1-CD1 4.09Å; F76-I80 HydrophobicContact CE1-CG1 4.35Å; F76-I80 WeakPolarHBondContact O-CG1 3.23Å; F76-I80 PolarHBondContact O-N 2.84Å
77	I	58.7	Low	51.9	Low	112 Å²	112	62.5 Å²	62.5	57%	0.574	33%	0.328	S	S	*	.	H	α-helix	trans	-57.8	-44.7	178.7	-69.1	171.1	0	0	0	110.6	H73 K74 S79 I80	H73-I77 WeakPolarHBondContact O-CG1 3.45Å; H73-I77 PolarHBondContact O-N 3.32Å; K74-I77 PolarHBondContact O-N 3.16Å; I77-S79 VanDerWaalsContact C-N 3.26Å; I77-S79 PolarHBondContact O-N 3.41Å; I77-I80 PolarHBondContact O-N 3.49Å
78	E	57.8	Low	50.5	Low	105 Å²	105	67.4 Å²	67.4	49%	0.491	35%	0.35	S	S	.	.	H	α-helix	trans	-67.8	-25.6	177.9	-71.3	175	-174.4	0	0	112.9	L13 K74 F76	L13-E78 WeakPolarHBondContact CD2-OE2 3.36Å; K74-E78 WeakPolarHBondContact CE-OE1 3.32Å; K74-E78 WeakPolarHBondContact O-CB 3.29Å; K74-E78 WeakPolarHBondContact O-CG 3.3Å; K74-E78 PolarHBondContact O-N 2.81Å; F76-E78 VanDerWaalsContact C-N 3.31Å; F76-E78 PolarHBondContact O-N 3.17Å
79	S	61.3	Low	49.4	Very low	17 Å²	17	71.8 Å²	71.8	12%	0.119	37%	0.371	C	S	.	.	H	α-helix	trans	-83.4	-11.1	-178.5	75.7	0	0	0	0	114.6	R53 A75 F76 I77 P81	R53-S79 VanDerWaalsContact NH1-C 3.26Å; R53-S79 VanDerWaalsContact NH1-CB 3.25Å; R53-S79 PolarHBondContact NH1-O 3.23Å; R53-S79 PolarHBondContact NH1-OG 3.43Å; A75-S79 WeakPolarHBondContact O-CB 3.27Å; A75-S79 PolarHBondContact O-N 3.27Å; A75-S79 PolarHBondContact O-OG 2.8Å; F76-S79 WeakPolarHBondContact CA-OG 3.4Å; F76-S79 PolarHBondContact O-N 3.44Å; F76-S79 PolarHBondContact O-OG 2.97Å; I77-S79 VanDerWaalsContact C-N 3.26Å; I77-S79 PolarHBondContact O-N 3.41Å; S79-P81 WeakPolarHBondContact O-CD 3.44Å; S79-P81 VanDerWaalsContact O-N 3.12Å
80	I	56.9	Low	47.8	Very low	36 Å²	36	74 Å²	74	19%	0.185	40%	0.399	C	S	.	.			trans	-61.4	113.7	-177.9	-60	178.3	0	0	0	108.7	L46 M49 F76 I77 N82 T85	L46-I80 HydrophobicContact CD1-CD1 3.82Å; M49-I80 HydrophobicContact CE-CB 4.32Å; M49-I80 HydrophobicContact CE-CD1 3.94Å; M49-I80 HydrophobicContact CE-CG1 3.7Å; M49-I80 HydrophobicContact CE-CG2 3.87Å; M49-I80 HydrophobicContact SD-CG2 4.44Å; F76-I80 HydrophobicContact CE1-CD1 4.09Å; F76-I80 HydrophobicContact CE1-CG1 4.35Å; F76-I80 WeakPolarHBondContact O-CG1 3.23Å; F76-I80 PolarHBondContact O-N 2.84Å; I77-I80 PolarHBondContact O-N 3.49Å; I80-N82 PolarHBondContact O-N 3.03Å; I80-T85 HydrophobicContact CG2-CG2 4.16Å
81	P	47.3	Very low	46.5	Very low	48 Å²	48	69.7 Å²	69.7	31%	0.312	38%	0.384	S	S	.	.			trans	-70.9	129.7	177.9	-12.2	29.3	0	0	0	107.8	S79 E83 H84	S79-P81 WeakPolarHBondContact O-CD 3.44Å; S79-P81 VanDerWaalsContact O-N 3.12Å; P81-E83 PolarHBondContact O-N 3Å; P81-H84 PolarHBondContact O-N 2.95Å
82	N	49.6	Very low	45.2	Very low	115 Å²	115	75.6 Å²	75.6	62%	0.615	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-29.5	-177.9	-73.5	-32.1	0	0	0	113.5	I80 T85 S97	I80-N82 PolarHBondContact O-N 3.03Å; N82-T85 PolarHBondContact O-OG1 2.79Å; N82-S97 PolarHBondContact OD1-OG 3.35Å
83	E	37.3	Very low	43.7	Very low	148 Å²	148	79.8 Å²	79.8	69%	0.692	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-29.5	-177.3	-65.1	173.2	-169.8	0	0	114.6	P81 T85 A86	P81-E83 PolarHBondContact O-N 3Å; E83-T85 VanDerWaalsContact C-N 3.3Å; E83-T85 PolarHBondContact O-N 2.82Å; E83-A86 WeakPolarHBondContact O-CB 3.11Å; E83-A86 PolarHBondContact O-N 2.94Å
84	H	37.6	Very low	42.1	Very low	129 Å²	129	82.8 Å²	82.8	60%	0.597	48%	0.482	S	S	*	.	H	α-helix	trans	-74.1	-22.6	-179.8	-94.2	-67.2	0	0	0	113.1	M49 P81 A86	M49-H84 HydrophobicContact SD-CB 4.31Å; P81-H84 PolarHBondContact O-N 2.95Å; H84-A86 VanDerWaalsContact C-N 3.28Å
85	T	40.7	Very low	40.8	Very low	39 Å²	39	84.2 Å²	84.2	24%	0.239	49%	0.49	C	S	.	.	H	α-helix	trans	-72.1	-19	166.7	26.8	0	0	0	0	113.3	L46 I80 N82 E83	L46-T85 HydrophobicContact CD2-CG2 4.23Å; I80-T85 HydrophobicContact CG2-CG2 4.16Å; N82-T85 PolarHBondContact O-OG1 2.79Å; E83-T85 VanDerWaalsContact C-N 3.3Å; E83-T85 PolarHBondContact O-N 2.82Å
86	A	29.8	Very low	39.6	Very low	48 Å²	48	89.5 Å²	89.5	40%	0.397	51%	0.51	S	S	.	.	H	α-helix	trans	-84.5	-34.3	-177	0	0	0	0	0	113.6	E83 H84	E83-A86 WeakPolarHBondContact O-CB 3.11Å; E83-A86 PolarHBondContact O-N 2.94Å; H84-A86 VanDerWaalsContact C-N 3.28Å
87	V	28.1	Very low	38.3	Very low	121 Å²	121	91.7 Å²	91.7	73%	0.733	53%	0.526	S	S	*	.	H	α-helix	trans	-78.5	-27.3	-168.4	179.5	0	0	0	0	113.8
88	K	30.6	Very low	37.4	Very low	159 Å²	159	90.1 Å²	90.1	69%	0.691	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	2.5	-176.1	-82.4	-168	175.7	-174.2	0	115.6	D48	D48-K88 IonicContact OD2-NZ 3.59Å; D48-K88 PolarHBondContact OD2-NZ 3.15Å
89	M	33	Very low	36.7	Very low	111 Å²	111	89.3 Å²	89.3	55%	0.547	52%	0.516	S	S	.	.	S	Bend	trans	-125.6	44.6	175.1	-73	-164.8	-79	0	0	113.3	C91 R96	M89-C91 PolarHBondContact O-N 3.48Å; M89-R96 PolarHBondContact O-NH1 3.06Å
90	G	25.3	Very low	35.7	Very low	78 Å²	78	90.4 Å²	90.4	80%	0.804	53%	0.53	S	S	*	.	S	Bend	trans	58.3	27.6	139.7	0	0	0	0	0	119.2
91	C	26.2	Very low	35.1	Very low	55 Å²	55	96.4 Å²	96.4	37%	0.372	56%	0.555	S	S	.	*			trans	-145	121.9	165.9	-162.6	0	0	0	0	110.6	M89 C93	M89-C91 PolarHBondContact O-N 3.48Å; C91-C93 PolarHBondContact O-N 3.27Å
92	P	29.1	Very low	35.1	Very low	141 Å²	141	95.3 Å²	95.3	92%	0.916	55%	0.547	S	S	*	.	S	Bend	trans	-69.4	-0.5	-171.5	-17.3	30.3	0	0	0	116.1	G94	P92-G94 PolarHBondContact O-N 3.24Å
93	C	30	Very low	35.3	Very low	88 Å²	88	94.2 Å²	94.2	60%	0.595	54%	0.536	S	S	*	.	S	Bend	trans	-96.7	47.6	-172.1	62.9	0	0	0	0	114.6	C91 H95	C91-C93 PolarHBondContact O-N 3.27Å; C93-H95 PolarHBondContact O-N 3.46Å
94	G	25.9	Very low	36.1	Very low	71 Å²	71	92.8 Å²	92.8	73%	0.732	53%	0.531	S	S	*	.			trans	54.7	-1.5	148.8	0	0	0	0	0	122.4	P92	P92-G94 PolarHBondContact O-N 3.24Å
95	H	27.9	Very low	37.2	Very low	145 Å²	145	87.2 Å²	87.2	67%	0.671	51%	0.507	S	S	*	.			trans	-110.6	67.3	-172	-88.8	85.8	0	0	0	112.2	C93	C93-H95 PolarHBondContact O-N 3.46Å
96	R	35.2	Very low	38.5	Very low	112 Å²	112	85.9 Å²	85.9	42%	0.423	50%	0.498	S	S	.	.			trans	-141.6	3.8	179.4	-70.6	-164.6	-164.2	-177	7.5	119.5	M89	M89-R96 PolarHBondContact O-NH1 3.06Å
97	S	35.7	Very low	40.7	Very low	48 Å²	48	85.2 Å²	85.2	34%	0.336	49%	0.488	S	S	.	.	H	α-helix	trans	-73.2	-24.2	165	179.2	0	0	0	0	111.8	N82	N82-S97 PolarHBondContact OD1-OG 3.35Å
98	I	39.7	Very low	43.3	Very low	79 Å²	79	83.1 Å²	83.1	41%	0.405	47%	0.472	S	S	.	.	H	α-helix	trans	-69.8	-44.1	-178.3	-63	173.7	0	0	0	110.4	G100 K101 L102	I98-G100 PolarHBondContact O-N 3.13Å; I98-K101 PolarHBondContact O-N 2.88Å; I98-L102 HydrophobicContact CG2-CD1 3.58Å; I98-L102 HydrophobicContact CG2-CD2 4.16Å; I98-L102 HydrophobicContact CG2-CG 4.34Å; I98-L102 VanDerWaalsContact O-CB 3.3Å; I98-L102 WeakPolarHBondContact O-CB 3.26Å; I98-L102 PolarHBondContact O-N 3.11Å
99	D	43.3	Very low	45.7	Very low	87 Å²	87	76.4 Å²	76.4	47%	0.465	45%	0.445	S	S	.	.	H	α-helix	trans	-59.8	-41.8	-171	-68.1	-9.9	0	0	0	114.8	L102 K103	D99-L102 PolarHBondContact O-N 3.38Å; D99-K103 VanDerWaalsContact O-CB 3.23Å; D99-K103 WeakPolarHBondContact O-CB 3.46Å; D99-K103 PolarHBondContact O-N 2.9Å
100	G	40.7	Very low	48.1	Very low	40 Å²	40	71.3 Å²	71.3	41%	0.412	42%	0.42	S	S	.	.	H	α-helix	trans	-69.2	-41.1	-178.6	0	0	0	0	0	113	I98 M104	I98-G100 PolarHBondContact O-N 3.13Å; G100-M104 PolarHBondContact O-N 3.23Å
101	K	44.4	Very low	51.2	Low	162 Å²	162	67.6 Å²	67.6	70%	0.704	38%	0.382	S	S	*	.	H	α-helix	trans	-70.1	-40.5	173.4	-75	-175.5	178.4	-180	0	111.3	I98 K103 M104 S105	I98-K101 PolarHBondContact O-N 2.88Å; K101-K103 VanDerWaalsContact C-N 3.31Å; K101-K103 PolarHBondContact O-N 3.42Å; K101-M104 PolarHBondContact O-N 3.42Å; K101-S105 VanDerWaalsContact O-CB 3.26Å; K101-S105 WeakPolarHBondContact O-CB 3.36Å; K101-S105 PolarHBondContact O-N 3.42Å
102	L	47.6	Very low	54.3	Low	25 Å²	25	67.2 Å²	67.2	13%	0.131	38%	0.376	C	S	.	.	H	α-helix	trans	-60.3	-42.3	175.6	-120.3	70	0	0	0	111.5	I98 D99 S105 L106 L163 L171	I98-L102 HydrophobicContact CG2-CD1 3.58Å; I98-L102 HydrophobicContact CG2-CD2 4.16Å; I98-L102 HydrophobicContact CG2-CG 4.34Å; I98-L102 VanDerWaalsContact O-CB 3.3Å; I98-L102 WeakPolarHBondContact O-CB 3.26Å; I98-L102 PolarHBondContact O-N 3.11Å; D99-L102 PolarHBondContact O-N 3.38Å; L102-S105 WeakPolarHBondContact O-CB 3.36Å; L102-S105 PolarHBondContact O-N 2.76Å; L102-L106 PolarHBondContact O-N 3.46Å; L102-L163 HydrophobicContact CD1-CD2 3.8Å; L102-L163 HydrophobicContact CG-CD2 4.17Å; L102-L171 HydrophobicContact CB-CD2 4.24Å; L102-L171 HydrophobicContact CD2-CD1 4.15Å; L102-L171 HydrophobicContact CD2-CD2 3.84Å; L102-L171 HydrophobicContact CD2-CG 3.96Å; L102-L171 HydrophobicContact CG-CD1 4.13Å; L102-L171 HydrophobicContact CG-CD2 4.11Å; L102-L171 HydrophobicContact CG-CG 4.38Å
103	K	53.3	Low	57.2	Low	93 Å²	93	60.6 Å²	60.6	40%	0.404	33%	0.333	S	S	.	.	H	α-helix	trans	-65.5	-49.2	179.7	-169.3	174.6	-175.5	177.7	0	111.3	D99 K101 S105 L106 D107 S465	D99-K103 VanDerWaalsContact O-CB 3.23Å; D99-K103 WeakPolarHBondContact O-CB 3.46Å; D99-K103 PolarHBondContact O-N 2.9Å; K101-K103 VanDerWaalsContact C-N 3.31Å; K101-K103 PolarHBondContact O-N 3.42Å; K103-S105 PolarHBondContact O-N 2.99Å; K103-L106 PolarHBondContact O-N 3.02Å; K103-D107 VanDerWaalsContact O-CG 3.27Å; K103-D107 PolarHBondContact O-N 2.81Å; K103-S465 WeakPolarHBondContact CE-O 3.49Å; K103-S465 PolarHBondContact NZ-O 2.9Å
104	M	54.1	Low	60.1	Low	118 Å²	118	56.4 Å²	56.4	58%	0.581	30%	0.304	S	S	*	.	H	α-helix	trans	-61.2	-34.2	177.3	-160.3	179.5	-53.3	0	0	112.5	G100 K101 I108	G100-M104 PolarHBondContact O-N 3.23Å; K101-M104 PolarHBondContact O-N 3.42Å; M104-I108 HydrophobicContact CG-CD1 4.48Å; M104-I108 WeakPolarHBondContact O-CG1 3.18Å; M104-I108 PolarHBondContact O-N 3.1Å
105	S	60	Low	63.3	Low	12 Å²	12	53.3 Å²	53.3	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-43.3	171.7	167.9	0	0	0	0	112.2	K101 L102 K103 S109 E160	K101-S105 VanDerWaalsContact O-CB 3.26Å; K101-S105 WeakPolarHBondContact O-CB 3.36Å; K101-S105 PolarHBondContact O-N 3.42Å; L102-S105 WeakPolarHBondContact O-CB 3.36Å; L102-S105 PolarHBondContact O-N 2.76Å; K103-S105 PolarHBondContact O-N 2.99Å; S105-S109 VanDerWaalsContact O-CB 3.26Å; S105-S109 WeakPolarHBondContact O-CB 3.35Å; S105-S109 PolarHBondContact O-N 3.31Å; S105-S109 PolarHBondContact O-OG 3.32Å; S105-E160 WeakPolarHBondContact CB-OE2 3.47Å; S105-E160 PolarHBondContact OG-OE2 3.15Å
106	L	68	Low	66.3	Low	10 Å²	10	51.4 Å²	51.4	5%	0.052	26%	0.258	C	S	.	.	H	α-helix	trans	-66.8	-43.8	177.9	-170.2	67.7	0	0	0	111.9	L102 K103 I108 S109 T110 L171 I468	L102-L106 PolarHBondContact O-N 3.46Å; K103-L106 PolarHBondContact O-N 3.02Å; L106-I108 PolarHBondContact O-N 3.24Å; L106-S109 WeakPolarHBondContact CA-OG 3.24Å; L106-S109 PolarHBondContact O-N 3.48Å; L106-S109 PolarHBondContact O-OG 3.09Å; L106-T110 HydrophobicContact CD1-CG2 3.81Å; L106-T110 HydrophobicContact CG-CG2 4.02Å; L106-T110 WeakPolarHBondContact O-CB 3.47Å; L106-T110 WeakPolarHBondContact O-CG2 3.44Å; L106-T110 PolarHBondContact O-N 2.88Å; L106-T110 PolarHBondContact O-OG1 3.02Å; L106-L171 HydrophobicContact CB-CD2 4.4Å; L106-L171 HydrophobicContact CD1-CB 4.37Å; L106-L171 HydrophobicContact CD1-CD1 4.48Å; L106-L171 HydrophobicContact CD2-CB 4.45Å; L106-L171 HydrophobicContact CD2-CD2 4.19Å; L106-I468 HydrophobicContact CD2-CD1 4.2Å; L106-I468 HydrophobicContact CD2-CG1 4.4Å
107	D	76.5	Confident	68.8	Low	34 Å²	34	46.1 Å²	46.1	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-50.9	-179.9	-59.1	0.1	0	0	0	110.6	K103 T110 A111 L353 G467	K103-D107 VanDerWaalsContact O-CG 3.27Å; K103-D107 PolarHBondContact O-N 2.81Å; D107-T110 PolarHBondContact O-OG1 3.49Å; D107-T110 VanDerWaalsContact O-OG1 3.12Å; D107-A111 VanDerWaalsContact O-CB 3.24Å; D107-A111 WeakPolarHBondContact O-CB 3.45Å; D107-A111 PolarHBondContact O-N 2.99Å; D107-L353 HydrophobicContact CB-CD1 4.08Å; D107-G467 VanDerWaalsContact OD1-CA 3.31Å; D107-G467 WeakPolarHBondContact OD1-CA 3.48Å
108	I	82	Confident	71.4	Confident	78 Å²	78	44.4 Å²	44.4	40%	0.4	23%	0.225	S	C	.	.	H	α-helix	trans	-68.6	-43.5	-178.4	-65.7	172.8	0	0	0	111.2	M104 L106 A111 D112 A349 L353	M104-I108 HydrophobicContact CG-CD1 4.48Å; M104-I108 WeakPolarHBondContact O-CG1 3.18Å; M104-I108 PolarHBondContact O-N 3.1Å; L106-I108 PolarHBondContact O-N 3.24Å; I108-A111 PolarHBondContact O-N 3.37Å; I108-D112 VanDerWaalsContact O-CB 3.31Å; I108-D112 WeakPolarHBondContact O-CB 3.48Å; I108-D112 PolarHBondContact O-N 3.41Å; I108-A349 HydrophobicContact CG2-CB 4.08Å; I108-A349 WeakPolarHBondContact O-CB 3.48Å; I108-L353 HydrophobicContact CG1-CD1 3.97Å
109	S	81.3	Confident	73.9	Confident	18 Å²	18	44.8 Å²	44.8	13%	0.126	22%	0.224	C	C	.	.	H	α-helix	trans	-67.3	-39.6	-179.1	58.3	0	0	0	0	112.4	S105 L106 D112 F113	S105-S109 VanDerWaalsContact O-CB 3.26Å; S105-S109 WeakPolarHBondContact O-CB 3.35Å; S105-S109 PolarHBondContact O-N 3.31Å; S105-S109 PolarHBondContact O-OG 3.32Å; L106-S109 WeakPolarHBondContact CA-OG 3.24Å; L106-S109 PolarHBondContact O-N 3.48Å; L106-S109 PolarHBondContact O-OG 3.09Å; S109-D112 PolarHBondContact O-N 3.41Å; S109-F113 WeakPolarHBondContact O-CB 2.75Å; S109-F113 PolarHBondContact O-N 3.03Å
110	T	84.8	Confident	76	Confident	4 Å²	4	43.9 Å²	43.9	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-69.3	-37.6	175.8	59.1	0	0	0	0	111.9	L106 D107 A114 L136	L106-T110 HydrophobicContact CD1-CG2 3.81Å; L106-T110 HydrophobicContact CG-CG2 4.02Å; L106-T110 WeakPolarHBondContact O-CB 3.47Å; L106-T110 WeakPolarHBondContact O-CG2 3.44Å; L106-T110 PolarHBondContact O-N 2.88Å; L106-T110 PolarHBondContact O-OG1 3.02Å; D107-T110 PolarHBondContact O-OG1 3.49Å; D107-T110 VanDerWaalsContact O-OG1 3.12Å; T110-A114 VanDerWaalsContact O-CB 3.26Å; T110-A114 WeakPolarHBondContact O-CB 3.44Å; T110-A114 PolarHBondContact O-N 2.84Å; T110-L136 HydrophobicContact CG2-CD2 3.83Å
111	A	90.1	Very high	78.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.3	-36.8	173.6	0	0	0	0	0	112.7	D107 I108 A114 L115 A349 L353 V469	D107-A111 VanDerWaalsContact O-CB 3.24Å; D107-A111 WeakPolarHBondContact O-CB 3.45Å; D107-A111 PolarHBondContact O-N 2.99Å; I108-A111 PolarHBondContact O-N 3.37Å; A111-A114 WeakPolarHBondContact O-CB 3.37Å; A111-A114 PolarHBondContact O-N 3.3Å; A111-L115 PolarHBondContact O-N 2.84Å; A111-A349 HydrophobicContact CB-CB 3.88Å; A111-L353 HydrophobicContact CB-CD1 4.08Å; A111-L353 HydrophobicContact CB-CD2 4.22Å; A111-L353 HydrophobicContact CB-CG 4.05Å; A111-V469 HydrophobicContact CB-CG2 4.31Å
112	D	90.2	Very high	80.1	Confident	47 Å²	47	36.7 Å²	36.7	25%	0.251	18%	0.184	S	C	.	.	H	α-helix	trans	-65.9	-47.2	173.9	179	70.3	0	0	0	110.7	I108 S109 A114 L115 R116 A349	I108-D112 VanDerWaalsContact O-CB 3.31Å; I108-D112 WeakPolarHBondContact O-CB 3.48Å; I108-D112 PolarHBondContact O-N 3.41Å; S109-D112 PolarHBondContact O-N 3.41Å; D112-A114 VanDerWaalsContact C-N 3.28Å; D112-A114 PolarHBondContact O-N 3.4Å; D112-L115 PolarHBondContact O-N 3.25Å; D112-R116 WeakPolarHBondContact O-CB 3.29Å; D112-R116 VanDerWaalsContact O-CG 3.29Å; D112-R116 WeakPolarHBondContact O-CG 3.39Å; D112-R116 PolarHBondContact O-N 3.07Å; D112-R116 IonicContact OD1-CZ 2.63Å; D112-R116 IonicContact OD1-NE 3.87Å; D112-R116 PolarHBondContact OD1-NE 2.98Å; D112-R116 IonicContact OD1-NH2 3.37Å; D112-R116 PolarHBondContact OD1-NH2 3.36Å; D112-R116 IonicContact OD2-CZ 2.79Å; D112-R116 IonicContact OD2-NE 2.74Å; D112-R116 PolarHBondContact OD2-NE 3.49Å; D112-R116 IonicContact OD2-NH1 3.8Å; D112-R116 IonicContact OD2-NH2 2.98Å; D112-R116 PolarHBondContact OD2-NH2 3.39Å; D112-A349 HydrophobicContact CB-CB 3.85Å
113	F	90.2	Very high	81.6	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.009	20%	0.196	C	C	.	.	H	α-helix	trans	-58.1	-41.7	173.5	-176.7	-101	0	0	0	111.6	S109 T117 P132 I135 L136 L139 L158 F386	S109-F113 WeakPolarHBondContact O-CB 2.75Å; S109-F113 PolarHBondContact O-N 3.03Å; F113-T117 WeakPolarHBondContact CZ-OG1 3.39Å; F113-T117 VanDerWaalsContact O-CB 3.29Å; F113-T117 WeakPolarHBondContact O-CB 3.22Å; F113-T117 PolarHBondContact O-N 2.87Å; F113-T117 PolarHBondContact O-OG1 2.67Å; F113-P132 HydrophobicContact CD1-CB 4.02Å; F113-P132 HydrophobicContact CE1-CB 4.3Å; F113-P132 VanDerWaalsContact CE1-O 3.28Å; F113-P132 WeakPolarHBondContact CE1-O 3.48Å; F113-I135 HydrophobicContact CE1-CB 4.25Å; F113-I135 HydrophobicContact CE1-CG2 4.08Å; F113-I135 HydrophobicContact CZ-CG2 3.84Å; F113-L136 HydrophobicContact CD1-CB 4.05Å; F113-L136 HydrophobicContact CD1-CD1 4.4Å; F113-L136 HydrophobicContact CE1-CB 3.93Å; F113-L136 HydrophobicContact CG-CD1 4.43Å; F113-L139 HydrophobicContact CE2-CD1 4.3Å; F113-L139 HydrophobicContact CZ-CD1 3.88Å; F113-L158 HydrophobicContact CD2-CD2 4.02Å; F113-L158 HydrophobicContact CE2-CD2 3.46Å; F113-L158 VanDerWaalsContact CE2-CD2 3.46Å; F113-L158 HydrophobicContact CZ-CD2 4.17Å; F113-F386 AromaticContact CD2-CE1 3.99Å; F113-F386 HydrophobicContact CD2-CE1 3.99Å; F113-F386 AromaticContact CD2-CZ 3.73Å; F113-F386 HydrophobicContact CD2-CZ 3.73Å; F113-F386 AromaticContact CE2-CE1 3.73Å; F113-F386 HydrophobicContact CE2-CE1 3.73Å; F113-F386 AromaticContact CE2-CZ 3.9Å; F113-F386 HydrophobicContact CE2-CZ 3.9Å
114	A	92.2	Very high	83	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.2	-51.8	176.3	0	0	0	0	0	113	T110 A111 D112 Y118 P132 V469 I472	T110-A114 VanDerWaalsContact O-CB 3.26Å; T110-A114 WeakPolarHBondContact O-CB 3.44Å; T110-A114 PolarHBondContact O-N 2.84Å; A111-A114 WeakPolarHBondContact O-CB 3.37Å; A111-A114 PolarHBondContact O-N 3.3Å; D112-A114 VanDerWaalsContact C-N 3.28Å; D112-A114 PolarHBondContact O-N 3.4Å; A114-Y118 VanDerWaalsContact O-CB 3.26Å; A114-Y118 WeakPolarHBondContact O-CB 3.33Å; A114-Y118 PolarHBondContact O-N 3.23Å; A114-P132 VanDerWaalsContact CA-CB 3.5Å; A114-P132 HydrophobicContact CB-CB 3.64Å; A114-P132 HydrophobicContact CB-CG 3.48Å; A114-P132 VanDerWaalsContact CB-CG 3.48Å; A114-V469 HydrophobicContact CB-CB 4.21Å; A114-V469 HydrophobicContact CB-CG1 4.18Å; A114-I472 HydrophobicContact CB-CG2 4.4Å
115	L	93	Very high	84.3	Confident	6 Å²	6	35.2 Å²	35.2	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-66.9	-41.1	-178.9	-73.2	174.1	0	0	0	112.1	A111 D112 Y118 H119 M344 L347 L352 I472	A111-L115 PolarHBondContact O-N 2.84Å; D112-L115 PolarHBondContact O-N 3.25Å; L115-Y118 WeakPolarHBondContact O-CB 3.3Å; L115-Y118 PolarHBondContact O-N 3.37Å; L115-H119 PolarHBondContact O-CD2 2.63Å; L115-H119 PolarHBondContact O-N 3.11Å; L115-M344 HydrophobicContact CD2-CE 4.17Å; L115-L347 HydrophobicContact CD1-CB 4.34Å; L115-L347 HydrophobicContact CD2-CB 4.35Å; L115-L352 HydrophobicContact CD1-CB 4.28Å; L115-L352 HydrophobicContact CD1-CD2 4.29Å; L115-L352 HydrophobicContact CD2-CD2 4.18Å; L115-L352 HydrophobicContact CG-CD2 4.15Å; L115-I472 HydrophobicContact CD2-CD1 3.98Å
116	R	89.8	Confident	85.8	Confident	104 Å²	104	38.1 Å²	38.1	39%	0.392	21%	0.211	S	C	.	.	H	α-helix	trans	-67.5	-42.6	178.5	-65.1	176.7	-173	-163	9.7	112.3	D112 Y118 H119 E120 F386	D112-R116 WeakPolarHBondContact O-CB 3.29Å; D112-R116 VanDerWaalsContact O-CG 3.29Å; D112-R116 WeakPolarHBondContact O-CG 3.39Å; D112-R116 PolarHBondContact O-N 3.07Å; D112-R116 IonicContact OD1-CZ 2.63Å; D112-R116 IonicContact OD1-NE 3.87Å; D112-R116 PolarHBondContact OD1-NE 2.98Å; D112-R116 IonicContact OD1-NH2 3.37Å; D112-R116 PolarHBondContact OD1-NH2 3.36Å; D112-R116 IonicContact OD2-CZ 2.79Å; D112-R116 IonicContact OD2-NE 2.74Å; D112-R116 PolarHBondContact OD2-NE 3.49Å; D112-R116 IonicContact OD2-NH1 3.8Å; D112-R116 IonicContact OD2-NH2 2.98Å; D112-R116 PolarHBondContact OD2-NH2 3.39Å; R116-Y118 VanDerWaalsContact C-N 3.28Å; R116-Y118 PolarHBondContact O-N 3.13Å; R116-H119 PolarHBondContact O-N 2.76Å; R116-E120 PolarHBondContact O-N 3.29Å; R116-E120 VanDerWaalsContact O-N 3.14Å; R116-F386 HydrophobicContact CB-CD2 4.07Å; R116-F386 HydrophobicContact CB-CE2 3.46Å; R116-F386 VanDerWaalsContact CB-CE2 3.46Å; R116-F386 HydrophobicContact CB-CZ 4.48Å; R116-F386 HydrophobicContact CG-CE2 4.21Å
117	T	89.1	Confident	86.9	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.012	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-39.4	174.7	-51.6	0	0	0	0	110.5	F113 E120 A121 I130 I135 L377 T382	F113-T117 WeakPolarHBondContact CZ-OG1 3.39Å; F113-T117 VanDerWaalsContact O-CB 3.29Å; F113-T117 WeakPolarHBondContact O-CB 3.22Å; F113-T117 PolarHBondContact O-N 2.87Å; F113-T117 PolarHBondContact O-OG1 2.67Å; T117-E120 PolarHBondContact O-N 3.31Å; T117-A121 WeakPolarHBondContact O-CB 3.28Å; T117-A121 PolarHBondContact O-N 3.09Å; T117-I130 HydrophobicContact CG2-CD1 3.54Å; T117-I135 HydrophobicContact CG2-CD1 4.05Å; T117-L377 HydrophobicContact CG2-CD2 4.41Å; T117-T382 HydrophobicContact CG2-CG2 4.43Å
118	Y	90.2	Very high	87.6	Confident	12 Å²	12	36.2 Å²	36.2	5%	0.047	20%	0.201	C	C	.	.	H	α-helix	trans	-56.9	-48.4	172.2	165.5	-83.5	0	0	0	111.6	A114 L115 R116 E120 A121 A122 F128 M344 V474	A114-Y118 VanDerWaalsContact O-CB 3.26Å; A114-Y118 WeakPolarHBondContact O-CB 3.33Å; A114-Y118 PolarHBondContact O-N 3.23Å; L115-Y118 WeakPolarHBondContact O-CB 3.3Å; L115-Y118 PolarHBondContact O-N 3.37Å; R116-Y118 VanDerWaalsContact C-N 3.28Å; R116-Y118 PolarHBondContact O-N 3.13Å; Y118-E120 VanDerWaalsContact C-N 3.31Å; Y118-E120 PolarHBondContact O-N 2.62Å; Y118-A121 CarbonylContact O-C 3.56Å; Y118-A121 PolarHBondContact O-N 3.18Å; Y118-A121 VanDerWaalsContact O-N 3.13Å; Y118-A122 HydrophobicContact CE1-CB 4.36Å; Y118-A122 WeakPolarHBondContact O-CB 3.34Å; Y118-A122 PolarHBondContact O-N 3.26Å; Y118-F128 HydrophobicContact CD2-CE1 4.25Å; Y118-F128 AromaticContact CD2-CE2 3.78Å; Y118-F128 HydrophobicContact CD2-CE2 3.78Å; Y118-F128 AromaticContact CD2-CZ 3.31Å; Y118-F128 HydrophobicContact CD2-CZ 3.31Å; Y118-F128 AromaticContact CE2-CE1 3.57Å; Y118-F128 HydrophobicContact CE2-CE1 3.57Å; Y118-F128 AromaticContact CE2-CE2 3.96Å; Y118-F128 HydrophobicContact CE2-CE2 3.96Å; Y118-F128 AromaticContact CE2-CZ 3.07Å; Y118-F128 HydrophobicContact CE2-CZ 3.07Å; Y118-F128 HydrophobicContact CG-CZ 4.14Å; Y118-F128 AromaticContact CZ-CZ 3.72Å; Y118-M344 HydrophobicContact CD1-CE 3.5Å; Y118-M344 HydrophobicContact CD2-CE 4.24Å; Y118-M344 HydrophobicContact CE1-CB 4.2Å; Y118-M344 HydrophobicContact CE1-CE 3.2Å; Y118-M344 HydrophobicContact CE1-CG 4.04Å; Y118-M344 HydrophobicContact CE1-SD 4.37Å; Y118-M344 HydrophobicContact CE2-CE 3.95Å; Y118-M344 HydrophobicContact CG-CE 4.06Å; Y118-M344 VanDerWaalsContact CZ-CE 3.47Å; Y118-V474 HydrophobicContact CE2-CB 4.49Å; Y118-V474 HydrophobicContact CE2-CG1 3.72Å; Y118-V474 HydrophobicContact CE2-CG2 4.09Å; Y118-V474 WeakPolarHBondContact OH-CG1 3.44Å
119	H	90.8	Very high	88	Confident	86 Å²	86	32.5 Å²	32.5	40%	0.398	18%	0.182	S	C	.	.	H	α-helix	trans	-62.3	-38.3	-177.8	-75.7	-59.9	0	0	0	112.7	L115 R116 M344	L115-H119 PolarHBondContact O-CD2 2.63Å; L115-H119 PolarHBondContact O-N 3.11Å; R116-H119 PolarHBondContact O-N 2.76Å; H119-M344 PolarHBondContact CE1-O 3.1Å; H119-M344 VanDerWaalsContact CE1-O 3.26Å
120	E	88.8	Confident	88.6	Confident	68 Å²	68	31.6 Å²	31.6	32%	0.318	18%	0.176	S	C	.	.	H	α-helix	trans	-75.1	-27.2	176.2	-66.1	-59.7	156.1	0	0	113.1	R116 T117 Y118 T382 R385	R116-E120 PolarHBondContact O-N 3.29Å; R116-E120 VanDerWaalsContact O-N 3.14Å; T117-E120 PolarHBondContact O-N 3.31Å; Y118-E120 VanDerWaalsContact C-N 3.31Å; Y118-E120 PolarHBondContact O-N 2.62Å; E120-T382 HydrophobicContact CB-CG2 3.49Å; E120-T382 VanDerWaalsContact CB-CG2 3.49Å; E120-R385 HydrophobicContact CG-CB 4.49Å; E120-R385 WeakPolarHBondContact OE2-CB 3.32Å; E120-R385 VanDerWaalsContact OE2-CD 3.3Å; E120-R385 WeakPolarHBondContact OE2-CD 3.31Å
121	A	86	Confident	88.9	Confident	5 Å²	5	31.4 Å²	31.4	4%	0.041	17%	0.174	C	C	.	.	H	α-helix	trans	-84.8	-14.2	177.5	0	0	0	0	0	113.8	T117 Y118 V123 F128 I130 Y375 L377	T117-A121 WeakPolarHBondContact O-CB 3.28Å; T117-A121 PolarHBondContact O-N 3.09Å; Y118-A121 CarbonylContact O-C 3.56Å; Y118-A121 PolarHBondContact O-N 3.18Å; Y118-A121 VanDerWaalsContact O-N 3.13Å; A121-V123 PolarHBondContact O-N 3.08Å; A121-F128 HydrophobicContact CB-CD2 4.47Å; A121-F128 HydrophobicContact CB-CE2 3.88Å; A121-I130 HydrophobicContact CB-CG2 4.25Å; A121-Y375 HydrophobicContact CB-CE1 4.5Å; A121-Y375 PolarHBondContact O-OH 3.47Å; A121-L377 HydrophobicContact CB-CD1 3.47Å; A121-L377 VanDerWaalsContact CB-CD1 3.47Å
122	A	84.4	Confident	89.1	Confident	47 Å²	47	31.5 Å²	31.5	39%	0.388	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-64.8	127	-165.8	0	0	0	0	0	113.3	Y118 F128	Y118-A122 HydrophobicContact CE1-CB 4.36Å; Y118-A122 WeakPolarHBondContact O-CB 3.34Å; Y118-A122 PolarHBondContact O-N 3.26Å; A122-F128 HydrophobicContact CB-CE1 3.96Å; A122-F128 HydrophobicContact CB-CZ 3.78Å
123	V	79.4	Confident	89	Confident	61 Å²	61	29.4 Å²	29.4	37%	0.37	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-101.6	127.2	171.4	-172.9	0	0	0	0	107.8	A121 D125 N126 Y375	A121-V123 PolarHBondContact O-N 3.08Å; V123-D125 PolarHBondContact O-N 2.65Å; V123-N126 HydrophobicContact CB-CB 4.12Å; V123-N126 HydrophobicContact CG1-CB 3.85Å; V123-Y375 HydrophobicContact CG2-CE2 4.22Å
124	A	81.8	Confident	89.1	Confident	77 Å²	77	29.3 Å²	29.3	64%	0.636	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	132.2	179.4	0	0	0	0	0	110.7	N126	A124-N126 PolarHBondContact O-N 3.28Å; A124-N126 PolarHBondContact O-ND2 3.16Å
125	D	82.8	Confident	89.1	Confident	66 Å²	66	29.3 Å²	29.3	35%	0.353	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	31.2	173.4	-49.9	-33	0	0	0	115.2	V123 Y476	V123-D125 PolarHBondContact O-N 2.65Å; D125-Y476 HydrophobicContact CB-CD1 4.26Å; D125-Y476 HydrophobicContact CB-CE1 4.32Å
126	N	89.8	Confident	89.1	Confident	73 Å²	73	29.1 Å²	29.1	39%	0.39	16%	0.162	S	C	.	.	S	Bend	trans	-128.3	144	178.5	-82.9	-67	0	0	0	111.5	V123 A124 F128 Y476 S478	V123-N126 HydrophobicContact CB-CB 4.12Å; V123-N126 HydrophobicContact CG1-CB 3.85Å; A124-N126 PolarHBondContact O-N 3.28Å; A124-N126 PolarHBondContact O-ND2 3.16Å; N126-F128 PolarHBondContact O-N 3.32Å; N126-Y476 WeakPolarHBondContact O-CD2 3.25Å; N126-S478 PolarHBondContact OD1-OG 3.47Å
127	S	92.6	Very high	89.1	Confident	3 Å²	3	24.1 Å²	24.1	2%	0.021	14%	0.143	C	C	.	.			trans	-67.8	130.5	171	-48.4	0	0	0	0	109.6	V474 Y476 G477 S478	S127-V474 WeakPolarHBondContact CA-O 3.37Å; S127-Y476 PolarHBondContact OG-N 3.06Å; S127-G477 PolarHBondContact OG-N 3.44Å; S127-S478 WeakPolarHBondContact CB-O 3.36Å; S127-S478 PolarHBondContact N-OG 3.23Å; S127-S478 PolarHBondContact OG-N 2.97Å; S127-S478 PolarHBondContact OG-O 3.31Å
128	F	90.5	Very high	89.3	Confident	1 Å²	1	24 Å²	24	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	163.1	170.6	79.6	-81.6	0	0	0	109	Y118 A121 A122 N126 Y375 G473 V474	Y118-F128 HydrophobicContact CD2-CE1 4.25Å; Y118-F128 AromaticContact CD2-CE2 3.78Å; Y118-F128 HydrophobicContact CD2-CE2 3.78Å; Y118-F128 AromaticContact CD2-CZ 3.31Å; Y118-F128 HydrophobicContact CD2-CZ 3.31Å; Y118-F128 AromaticContact CE2-CE1 3.57Å; Y118-F128 HydrophobicContact CE2-CE1 3.57Å; Y118-F128 AromaticContact CE2-CE2 3.96Å; Y118-F128 HydrophobicContact CE2-CE2 3.96Å; Y118-F128 AromaticContact CE2-CZ 3.07Å; Y118-F128 HydrophobicContact CE2-CZ 3.07Å; Y118-F128 HydrophobicContact CG-CZ 4.14Å; Y118-F128 AromaticContact CZ-CZ 3.72Å; A121-F128 HydrophobicContact CB-CD2 4.47Å; A121-F128 HydrophobicContact CB-CE2 3.88Å; A122-F128 HydrophobicContact CB-CE1 3.96Å; A122-F128 HydrophobicContact CB-CZ 3.78Å; N126-F128 PolarHBondContact O-N 3.32Å; F128-Y375 HydrophobicContact CB-CD1 4.43Å; F128-Y375 HydrophobicContact CB-CD2 3.7Å; F128-Y375 HydrophobicContact CB-CE1 4.43Å; F128-Y375 HydrophobicContact CB-CE2 3.73Å; F128-Y375 HydrophobicContact CB-CG 4.07Å; F128-Y375 HydrophobicContact CD2-CD1 4.36Å; F128-Y375 AromaticContact CD2-CE1 3.99Å; F128-Y375 HydrophobicContact CD2-CE1 3.99Å; F128-Y375 HydrophobicContact CG-CE2 4.47Å; F128-G473 CarbonylContact O-C 3.48Å; F128-G473 WeakPolarHBondContact O-CA 3.27Å; F128-V474 HydrophobicContact CD1-CG2 3.54Å; F128-V474 HydrophobicContact CE1-CG2 3.4Å; F128-V474 VanDerWaalsContact CE1-CG2 3.4Å; F128-V474 HydrophobicContact CZ-CG2 4.36Å; F128-V474 PolarHBondContact N-O 2.87Å; F128-V474 VanDerWaalsContact N-O 3.15Å; F128-V474 PolarHBondContact O-N 3.24Å
129	F	91.4	Very high	89.6	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	160.7	174.3	80.2	-62.7	0	0	0	109.7	L373 Y375 A417 F418 I419 F459 F471 I472	F129-L373 HydrophobicContact CD1-CB 3.6Å; F129-L373 HydrophobicContact CD1-CD1 4.29Å; F129-L373 HydrophobicContact CE1-CB 3.64Å; F129-L373 VanDerWaalsContact CE1-O 3.25Å; F129-L373 WeakPolarHBondContact CE1-O 3.41Å; F129-Y375 WeakPolarHBondContact O-CB 3.32Å; F129-Y375 WeakPolarHBondContact O-CD1 3.31Å; F129-A417 HydrophobicContact CD2-CB 4.29Å; F129-A417 HydrophobicContact CE1-CB 4.19Å; F129-A417 WeakPolarHBondContact CE1-O 3.07Å; F129-A417 HydrophobicContact CE2-CB 3.51Å; F129-A417 HydrophobicContact CZ-CB 3.45Å; F129-A417 VanDerWaalsContact CZ-CB 3.45Å; F129-A417 VanDerWaalsContact CZ-O 3.29Å; F129-A417 WeakPolarHBondContact CZ-O 3.5Å; F129-F418 VanDerWaalsContact CZ-C 3.45Å; F129-I419 HydrophobicContact CD1-CG2 4.05Å; F129-I419 HydrophobicContact CD2-CB 4.31Å; F129-I419 HydrophobicContact CD2-CG2 3.86Å; F129-I419 HydrophobicContact CE1-CG2 3.78Å; F129-I419 HydrophobicContact CE2-CB 3.64Å; F129-I419 HydrophobicContact CE2-CG2 3.53Å; F129-I419 HydrophobicContact CG-CG2 4.09Å; F129-I419 HydrophobicContact CZ-CB 3.78Å; F129-I419 HydrophobicContact CZ-CG2 3.48Å; F129-I419 VanDerWaalsContact CZ-CG2 3.48Å; F129-I419 VanDerWaalsContact CZ-N 3.35Å; F129-F459 HydrophobicContact CB-CE2 3.96Å; F129-F459 HydrophobicContact CB-CZ 3.7Å; F129-F459 HydrophobicContact CG-CZ 4.38Å; F129-F471 AromaticContact CD2-CD1 3.9Å; F129-F471 HydrophobicContact CD2-CD1 3.9Å; F129-F471 AromaticContact CE2-CD1 3.76Å; F129-F471 HydrophobicContact CE2-CD1 3.76Å; F129-F471 HydrophobicContact CE2-CE1 4.07Å; F129-I472 VanDerWaalsContact CA-O 3.3Å; F129-I472 WeakPolarHBondContact CA-O 3.46Å; F129-I472 WeakPolarHBondContact CB-O 3.3Å
130	I	92.3	Very high	89.8	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	167.2	178.2	53.6	169.5	0	0	0	108.7	T117 A121 P132 Y375 L377 F471 I472	T117-I130 HydrophobicContact CG2-CD1 3.54Å; A121-I130 HydrophobicContact CB-CG2 4.25Å; I130-P132 HydrophobicContact CD1-CG 4Å; I130-P132 HydrophobicContact CG1-CG 4.08Å; I130-P132 WeakPolarHBondContact O-CD 3.44Å; I130-Y375 HydrophobicContact CG2-CD1 3.92Å; I130-Y375 HydrophobicContact CG2-CE1 4.02Å; I130-L377 HydrophobicContact CG2-CD2 4.21Å; I130-F471 WeakPolarHBondContact O-CA 3.13Å; I130-I472 HydrophobicContact CD1-CG2 4.3Å; I130-I472 HydrophobicContact CG1-CG2 3.89Å; I130-I472 PolarHBondContact N-O 3.3Å; I130-I472 PolarHBondContact O-N 3.32Å; I130-I472 VanDerWaalsContact O-N 3.13Å
131	S	92.8	Very high	90	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.106	C	C	.	.			trans	-110.7	92.2	163.7	-178.1	0	0	0	0	110.4	F133 S134 I135 I268 H415 L470	S131-F133 VanDerWaalsContact C-N 3.27Å; S131-F133 PolarHBondContact O-N 3.08Å; S131-S134 PolarHBondContact O-N 2.98Å; S131-S134 WeakPolarHBondContact OG-CB 3.27Å; S131-S134 PolarHBondContact OG-N 2.74Å; S131-I135 WeakPolarHBondContact O-CG1 3.31Å; S131-I135 PolarHBondContact O-N 3.21Å; S131-I268 WeakPolarHBondContact OG-CD1 3.42Å; S131-H415 PolarHBondContact N-NE2 3Å; S131-L470 WeakPolarHBondContact CA-O 3.48Å; S131-L470 VanDerWaalsContact CB-O 3.31Å; S131-L470 WeakPolarHBondContact CB-O 3.32Å; S131-L470 PolarHBondContact OG-O 3.43Å
132	P	92.6	Very high	90.5	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-59.3	-40.6	179.9	-23.2	34.3	0	0	0	112	F113 A114 I130 S134 I135 L136 I472	F113-P132 HydrophobicContact CD1-CB 4.02Å; F113-P132 HydrophobicContact CE1-CB 4.3Å; F113-P132 VanDerWaalsContact CE1-O 3.28Å; F113-P132 WeakPolarHBondContact CE1-O 3.48Å; A114-P132 VanDerWaalsContact CA-CB 3.5Å; A114-P132 HydrophobicContact CB-CB 3.64Å; A114-P132 HydrophobicContact CB-CG 3.48Å; A114-P132 VanDerWaalsContact CB-CG 3.48Å; I130-P132 HydrophobicContact CD1-CG 4Å; I130-P132 HydrophobicContact CG1-CG 4.08Å; I130-P132 WeakPolarHBondContact O-CD 3.44Å; P132-S134 PolarHBondContact O-N 3.39Å; P132-I135 PolarHBondContact O-N 3.04Å; P132-L136 VanDerWaalsContact O-CB 3.31Å; P132-L136 WeakPolarHBondContact O-CB 3.44Å; P132-L136 PolarHBondContact O-N 2.62Å; P132-I472 HydrophobicContact CG-CG2 3.59Å
133	F	89.6	Confident	91.1	Very high	3 Å²	3	13.9 Å²	13.9	1%	0.013	9%	0.087	C	C	.	.	H	α-helix	trans	-62.7	-44	177.8	179.9	-102	0	0	0	112.2	S131 I135 L136 V137 M172 A175 M176 L179 I468 L470	S131-F133 VanDerWaalsContact C-N 3.27Å; S131-F133 PolarHBondContact O-N 3.08Å; F133-I135 VanDerWaalsContact C-N 3.34Å; F133-I135 PolarHBondContact O-N 3.1Å; F133-L136 WeakPolarHBondContact O-CB 3.17Å; F133-L136 PolarHBondContact O-N 2.87Å; F133-L136 VanDerWaalsContact O-N 3.15Å; F133-V137 HydrophobicContact CD1-CG2 4.06Å; F133-V137 HydrophobicContact CD2-CG2 4.49Å; F133-V137 HydrophobicContact CE1-CG2 3.46Å; F133-V137 VanDerWaalsContact CE1-CG2 3.46Å; F133-V137 HydrophobicContact CE2-CG2 3.98Å; F133-V137 HydrophobicContact CZ-CG2 3.44Å; F133-V137 VanDerWaalsContact CZ-CG2 3.44Å; F133-V137 VanDerWaalsContact O-CG2 3.31Å; F133-V137 WeakPolarHBondContact O-CG2 3.41Å; F133-V137 PolarHBondContact O-N 3.46Å; F133-M172 HydrophobicContact CE2-CE 4.16Å; F133-M172 HydrophobicContact CZ-CE 4.48Å; F133-A175 HydrophobicContact CE2-CB 3.67Å; F133-A175 HydrophobicContact CZ-CB 3.57Å; F133-M176 HydrophobicContact CE1-SD 3.91Å; F133-M176 HydrophobicContact CZ-SD 4.13Å; F133-L179 HydrophobicContact CD1-CD1 3.46Å; F133-L179 VanDerWaalsContact CD1-CD1 3.46Å; F133-L179 HydrophobicContact CE1-CD1 3.08Å; F133-L179 HydrophobicContact CG-CD1 4.42Å; F133-L179 HydrophobicContact CZ-CD1 3.77Å; F133-I468 HydrophobicContact CB-CG2 3.63Å; F133-I468 HydrophobicContact CD1-CG2 4.43Å; F133-I468 HydrophobicContact CD2-CD1 4.05Å; F133-I468 HydrophobicContact CD2-CG2 3.38Å; F133-I468 HydrophobicContact CE2-CD1 3.77Å; F133-I468 HydrophobicContact CE2-CG2 4.17Å; F133-I468 HydrophobicContact CG-CG2 3.52Å; F133-I468 HydrophobicContact CZ-CD1 4.4Å; F133-L470 HydrophobicContact CB-CD2 4.21Å; F133-L470 HydrophobicContact CD1-CD2 3.95Å; F133-L470 HydrophobicContact CG-CD2 4.17Å
134	S	90.8	Very high	92	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.7	-44.2	177.8	-159.8	0	0	0	0	111.2	S131 P132 L136 V137 A138 N266	S131-S134 PolarHBondContact O-N 2.98Å; S131-S134 WeakPolarHBondContact OG-CB 3.27Å; S131-S134 PolarHBondContact OG-N 2.74Å; P132-S134 PolarHBondContact O-N 3.39Å; S134-L136 VanDerWaalsContact C-N 3.33Å; S134-L136 PolarHBondContact O-N 3.35Å; S134-V137 WeakPolarHBondContact O-CB 3.37Å; S134-V137 PolarHBondContact O-N 3.38Å; S134-A138 PolarHBondContact O-N 3.02Å; S134-N266 PolarHBondContact O-ND2 2.85Å; S134-N266 PolarHBondContact OG-ND2 3Å; S134-N266 PolarHBondContact OG-OD1 3.11Å
135	I	93	Very high	92.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-59.6	-44.1	173.9	-64.4	166	0	0	0	110.7	F113 T117 S131 P132 F133 V137 A138 L139 L377 L379 H415	F113-I135 HydrophobicContact CE1-CB 4.25Å; F113-I135 HydrophobicContact CE1-CG2 4.08Å; F113-I135 HydrophobicContact CZ-CG2 3.84Å; T117-I135 HydrophobicContact CG2-CD1 4.05Å; S131-I135 WeakPolarHBondContact O-CG1 3.31Å; S131-I135 PolarHBondContact O-N 3.21Å; P132-I135 PolarHBondContact O-N 3.04Å; F133-I135 VanDerWaalsContact C-N 3.34Å; F133-I135 PolarHBondContact O-N 3.1Å; I135-V137 VanDerWaalsContact C-N 3.33Å; I135-V137 PolarHBondContact O-N 2.78Å; I135-A138 WeakPolarHBondContact O-CB 3.38Å; I135-A138 PolarHBondContact O-N 3.37Å; I135-A138 VanDerWaalsContact O-N 3.16Å; I135-L139 HydrophobicContact CG2-CD1 3.69Å; I135-L139 HydrophobicContact CG2-CG 4.29Å; I135-L139 WeakPolarHBondContact O-CG 3.27Å; I135-L139 PolarHBondContact O-N 2.77Å; I135-L377 HydrophobicContact CD1-CD2 3.84Å; I135-L379 HydrophobicContact CD1-CD1 4.28Å; I135-L379 HydrophobicContact CG1-CD1 4.39Å; I135-L379 HydrophobicContact CG2-CD1 3.77Å; I135-H415 HydrophobicContact CD1-CB 4.44Å; I135-H415 HydrophobicContact CG1-CB 4.26Å
136	L	92.8	Very high	93.4	Very high	2 Å²	2	5.1 Å²	5.1	1%	0.01	3%	0.028	C	C	.	.	H	α-helix	trans	-62.6	-38.8	178.9	-176.1	62.9	0	0	0	111.9	T110 F113 P132 F133 S134 L139 G140 L158 F159 M172	T110-L136 HydrophobicContact CG2-CD2 3.83Å; F113-L136 HydrophobicContact CD1-CB 4.05Å; F113-L136 HydrophobicContact CD1-CD1 4.4Å; F113-L136 HydrophobicContact CE1-CB 3.93Å; F113-L136 HydrophobicContact CG-CD1 4.43Å; P132-L136 VanDerWaalsContact O-CB 3.31Å; P132-L136 WeakPolarHBondContact O-CB 3.44Å; P132-L136 PolarHBondContact O-N 2.62Å; F133-L136 WeakPolarHBondContact O-CB 3.17Å; F133-L136 PolarHBondContact O-N 2.87Å; F133-L136 VanDerWaalsContact O-N 3.15Å; S134-L136 VanDerWaalsContact C-N 3.33Å; S134-L136 PolarHBondContact O-N 3.35Å; L136-L139 PolarHBondContact O-N 2.96Å; L136-G140 WeakPolarHBondContact O-CA 3.45Å; L136-G140 PolarHBondContact O-N 3.19Å; L136-L158 HydrophobicContact CD1-CB 3.91Å; L136-L158 HydrophobicContact CD1-CD2 4.16Å; L136-F159 HydrophobicContact CD1-CD1 4.44Å; L136-F159 HydrophobicContact CD1-CE1 3.82Å; L136-F159 HydrophobicContact CD1-CZ 4.23Å; L136-F159 HydrophobicContact CG-CE1 4.3Å; L136-M172 HydrophobicContact CD2-SD 4.47Å; L136-M172 HydrophobicContact CG-CE 4.24Å
137	V	90.8	Very high	93.8	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-61.4	-46.3	172.8	172.7	0	0	0	0	110.5	F133 S134 I135 L139 G140 M141 M172 M176 N194 Y216	F133-V137 HydrophobicContact CD1-CG2 4.06Å; F133-V137 HydrophobicContact CD2-CG2 4.49Å; F133-V137 HydrophobicContact CE1-CG2 3.46Å; F133-V137 VanDerWaalsContact CE1-CG2 3.46Å; F133-V137 HydrophobicContact CE2-CG2 3.98Å; F133-V137 HydrophobicContact CZ-CG2 3.44Å; F133-V137 VanDerWaalsContact CZ-CG2 3.44Å; F133-V137 VanDerWaalsContact O-CG2 3.31Å; F133-V137 WeakPolarHBondContact O-CG2 3.41Å; F133-V137 PolarHBondContact O-N 3.46Å; S134-V137 WeakPolarHBondContact O-CB 3.37Å; S134-V137 PolarHBondContact O-N 3.38Å; I135-V137 VanDerWaalsContact C-N 3.33Å; I135-V137 PolarHBondContact O-N 2.78Å; V137-L139 VanDerWaalsContact C-N 3.31Å; V137-L139 PolarHBondContact O-N 3.12Å; V137-G140 PolarHBondContact O-N 3.44Å; V137-M141 PolarHBondContact O-N 3.23Å; V137-M172 HydrophobicContact CB-CE 4.14Å; V137-M172 HydrophobicContact CG2-CE 3.53Å; V137-M176 HydrophobicContact CB-SD 4.24Å; V137-M176 HydrophobicContact CG1-CE 4.33Å; V137-M176 HydrophobicContact CG1-CG 4.31Å; V137-M176 HydrophobicContact CG1-SD 3.71Å; V137-M176 HydrophobicContact CG2-CG 4.17Å; V137-M176 HydrophobicContact CG2-SD 3.48Å; V137-M176 WeakPolarHBondContact CG2-SD 3.36Å; V137-N194 VanDerWaalsContact CG1-ND2 3.31Å; V137-N194 WeakPolarHBondContact CG1-ND2 3.43Å; V137-Y216 HydrophobicContact CG1-CD1 4.15Å
138	A	93.2	Very high	94	Very high	0 Å²	0	5 Å²	5	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63.7	-37.6	179.3	0	0	0	0	0	112.2	S134 I135 M141 T142 L264 N266	S134-A138 PolarHBondContact O-N 3.02Å; I135-A138 WeakPolarHBondContact O-CB 3.38Å; I135-A138 PolarHBondContact O-N 3.37Å; I135-A138 VanDerWaalsContact O-N 3.16Å; A138-M141 HydrophobicContact CB-CE 4.03Å; A138-M141 WeakPolarHBondContact O-CG 3.27Å; A138-T142 PolarHBondContact O-N 3.02Å; A138-T142 PolarHBondContact O-OG1 2.91Å; A138-L264 HydrophobicContact CB-CD1 3.88Å; A138-L264 HydrophobicContact CB-CD2 4.25Å; A138-L264 HydrophobicContact CB-CG 4.23Å; A138-L264 WeakPolarHBondContact O-CD1 3.21Å; A138-N266 HydrophobicContact CB-CB 3.96Å
139	L	95.1	Very high	94.4	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-75.9	-31.9	174.7	-66.1	170.6	0	0	0	112.6	F113 I135 L136 V137 T142 Y143 M154 L158 L264 L383 L388 M391	F113-L139 HydrophobicContact CE2-CD1 4.3Å; F113-L139 HydrophobicContact CZ-CD1 3.88Å; I135-L139 HydrophobicContact CG2-CD1 3.69Å; I135-L139 HydrophobicContact CG2-CG 4.29Å; I135-L139 WeakPolarHBondContact O-CG 3.27Å; I135-L139 PolarHBondContact O-N 2.77Å; L136-L139 PolarHBondContact O-N 2.96Å; V137-L139 VanDerWaalsContact C-N 3.31Å; V137-L139 PolarHBondContact O-N 3.12Å; L139-T142 CarbonylContact O-C 3.54Å; L139-T142 WeakPolarHBondContact O-CB 3.47Å; L139-T142 PolarHBondContact O-N 2.92Å; L139-Y143 WeakPolarHBondContact O-CB 3.29Å; L139-Y143 PolarHBondContact O-N 3.31Å; L139-M154 VanDerWaalsContact O-CE 3.28Å; L139-M154 WeakPolarHBondContact O-CE 3.47Å; L139-L158 HydrophobicContact CB-CD1 3.69Å; L139-L158 HydrophobicContact CB-CD2 4.12Å; L139-L158 HydrophobicContact CD1-CD2 3.61Å; L139-L158 HydrophobicContact CG-CD2 4.48Å; L139-L264 HydrophobicContact CD2-CD2 3.81Å; L139-L264 HydrophobicContact CG-CD2 4.47Å; L139-L383 HydrophobicContact CD1-CD1 4.3Å; L139-L383 HydrophobicContact CD1-CD2 3.59Å; L139-L383 HydrophobicContact CD2-CD1 3.75Å; L139-L383 HydrophobicContact CD2-CD2 4.44Å; L139-L388 HydrophobicContact CD1-CD1 4.39Å; L139-M391 HydrophobicContact CD2-CE 4.03Å; L139-M391 HydrophobicContact CD2-SD 4.44Å
140	G	94.6	Very high	94.7	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.6	-45.9	174.8	0	0	0	0	0	112.2	L136 V137 T142 Y143 V144 Y216	L136-G140 WeakPolarHBondContact O-CA 3.45Å; L136-G140 PolarHBondContact O-N 3.19Å; V137-G140 PolarHBondContact O-N 3.44Å; G140-T142 PolarHBondContact O-N 3.39Å; G140-Y143 VanDerWaalsContact O-CB 3.31Å; G140-Y143 WeakPolarHBondContact O-CB 3.32Å; G140-Y143 PolarHBondContact O-N 3.12Å; G140-Y143 VanDerWaalsContact O-N 3.11Å; G140-V144 WeakPolarHBondContact O-CG2 3.42Å; G140-V144 PolarHBondContact O-N 3.31Å; G140-V144 VanDerWaalsContact O-N 3.08Å; G140-Y216 VanDerWaalsContact C-CE1 3.44Å
141	M	93.9	Very high	94.9	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.2	-32.7	172.9	64.3	178.1	-170.9	0	0	112	V137 A138 N194 L196 F208 I212 Y216 A218 L264	V137-M141 PolarHBondContact O-N 3.23Å; A138-M141 HydrophobicContact CB-CE 4.03Å; A138-M141 WeakPolarHBondContact O-CG 3.27Å; M141-N194 HydrophobicContact CE-CB 4.38Å; M141-N194 HydrophobicContact SD-CB 4.5Å; M141-L196 HydrophobicContact CE-CG 4.03Å; M141-L196 HydrophobicContact CG-CD1 4.45Å; M141-F208 WeakPolarHBondContact O-CE2 3.46Å; M141-I212 HydrophobicContact CB-CB 4.29Å; M141-I212 HydrophobicContact CB-CG2 3.83Å; M141-Y216 HydrophobicContact CB-CD1 4.25Å; M141-Y216 HydrophobicContact CB-CD2 4.43Å; M141-Y216 HydrophobicContact CB-CG 4.03Å; M141-A218 HydrophobicContact SD-CB 3.55Å; M141-A218 VanDerWaalsContact SD-CB 3.55Å; M141-L264 HydrophobicContact CE-CD1 3.24Å
142	T	96.4	Very high	95.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-70.9	-36.6	174.2	-54.5	0	0	0	0	111.5	A138 L139 G140 V144 G145 S146 M154 M391 F399 V410	A138-T142 PolarHBondContact O-N 3.02Å; A138-T142 PolarHBondContact O-OG1 2.91Å; L139-T142 CarbonylContact O-C 3.54Å; L139-T142 WeakPolarHBondContact O-CB 3.47Å; L139-T142 PolarHBondContact O-N 2.92Å; G140-T142 PolarHBondContact O-N 3.39Å; T142-V144 PolarHBondContact O-N 2.98Å; T142-G145 PolarHBondContact O-N 2.74Å; T142-S146 PolarHBondContact O-N 3.45Å; T142-M154 HydrophobicContact CG2-CE 3.94Å; T142-M391 HydrophobicContact CG2-CE 3.96Å; T142-F399 HydrophobicContact CG2-CE1 3.52Å; T142-F399 HydrophobicContact CG2-CZ 3.72Å; T142-F399 WeakPolarHBondContact O-CE1 3.44Å; T142-V410 HydrophobicContact CG2-CG2 4.05Å
143	Y	97.2	Very high	95.2	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-62.1	-40.3	176.6	168	-101.4	0	0	0	112.1	L139 G140 G145 S146 K151 M154 K155 F159 D165 I168	L139-Y143 WeakPolarHBondContact O-CB 3.29Å; L139-Y143 PolarHBondContact O-N 3.31Å; G140-Y143 VanDerWaalsContact O-CB 3.31Å; G140-Y143 WeakPolarHBondContact O-CB 3.32Å; G140-Y143 PolarHBondContact O-N 3.12Å; G140-Y143 VanDerWaalsContact O-N 3.11Å; Y143-G145 PolarHBondContact O-N 3.16Å; Y143-S146 WeakPolarHBondContact O-CB 3.44Å; Y143-S146 PolarHBondContact O-N 2.9Å; Y143-S146 PolarHBondContact O-OG 3Å; Y143-K151 HydrophobicContact CD2-CG 4.01Å; Y143-K151 HydrophobicContact CE2-CD 4.19Å; Y143-K151 HydrophobicContact CE2-CG 3.35Å; Y143-K151 WeakPolarHBondContact OH-CE 3.34Å; Y143-M154 HydrophobicContact CD2-CB 3.84Å; Y143-K155 HydrophobicContact CE2-CB 3.77Å; Y143-K155 HydrophobicContact CE2-CG 4.38Å; Y143-F159 HydrophobicContact CD1-CE2 4Å; Y143-F159 HydrophobicContact CD2-CE2 4.43Å; Y143-F159 HydrophobicContact CE1-CE2 4.45Å; Y143-F159 AromaticContact CG-CE2 3.99Å; Y143-F159 HydrophobicContact CG-CE2 3.99Å; Y143-D165 PolarHBondContact OH-OD1 3.2Å; Y143-I168 HydrophobicContact CE1-CD1 4.23Å
144	V	97.2	Very high	95.5	Very high	20 Å²	20	16.7 Å²	16.7	12%	0.121	11%	0.105	C	C	.	.	H	α-helix	trans	-53.2	-40.4	174.2	173.2	0	0	0	0	111.3	G140 T142 S146 F208 C211 I212 Y216	G140-V144 WeakPolarHBondContact O-CG2 3.42Å; G140-V144 PolarHBondContact O-N 3.31Å; G140-V144 VanDerWaalsContact O-N 3.08Å; T142-V144 PolarHBondContact O-N 2.98Å; V144-S146 VanDerWaalsContact C-N 3.3Å; V144-S146 PolarHBondContact O-N 2.63Å; V144-F208 HydrophobicContact CB-CD2 4.47Å; V144-F208 HydrophobicContact CB-CE2 4.34Å; V144-F208 HydrophobicContact CG1-CD2 3.94Å; V144-F208 HydrophobicContact CG1-CE2 4.28Å; V144-C211 HydrophobicContact CG1-CB 3.75Å; V144-C211 WeakPolarHBondContact CG1-SG 3.28Å; V144-I212 HydrophobicContact CB-CG2 4.35Å; V144-I212 HydrophobicContact CG1-CG2 4.34Å; V144-Y216 HydrophobicContact CG2-CD2 4.42Å; V144-Y216 HydrophobicContact CG2-CE2 3.57Å
145	G	97.4	Very high	95.7	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-7.9	179.4	0	0	0	0	0	115.2	T142 Y143 F399 K401	T142-G145 PolarHBondContact O-N 2.74Å; Y143-G145 PolarHBondContact O-N 3.16Å; G145-F399 CarbonylContact O-C 3.51Å; G145-F399 VanDerWaalsContact O-C 3.24Å; G145-F399 WeakPolarHBondContact O-CA 3.18Å; G145-K401 WeakPolarHBondContact O-CB 3.45Å; G145-K401 PolarHBondContact O-N 2.74Å
146	S	98.2	Very high	95.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.139	C	C	.	.			trans	-91.2	159.5	-173.2	74.3	0	0	0	0	113.7	T142 Y143 V144 K151 N398	T142-S146 PolarHBondContact O-N 3.45Å; Y143-S146 WeakPolarHBondContact O-CB 3.44Å; Y143-S146 PolarHBondContact O-N 2.9Å; Y143-S146 PolarHBondContact O-OG 3Å; V144-S146 VanDerWaalsContact C-N 3.3Å; V144-S146 PolarHBondContact O-N 2.63Å; S146-K151 VanDerWaalsContact OG-CA 3.27Å; S146-K151 WeakPolarHBondContact OG-CA 3.35Å; S146-K151 VanDerWaalsContact OG-CB 3.29Å; S146-K151 WeakPolarHBondContact OG-CB 3.17Å; S146-K151 WeakPolarHBondContact OG-CG 3.31Å; S146-N398 CarbonylContact C-O 3.51Å; S146-N398 WeakPolarHBondContact CA-O 3.34Å
147	S	98	Very high	95.5	Very high	34 Å²	34	25.9 Å²	25.9	24%	0.238	15%	0.154	C	C	.	.			trans	-146.4	171.6	172.7	-165	0	0	0	0	111.8	T150 K151 N398	S147-T150 PolarHBondContact O-N 3.34Å; S147-K151 PolarHBondContact O-N 3Å; S147-N398 PolarHBondContact N-O 3.46Å; S147-N398 WeakPolarHBondContact O-CB 3.39Å
148	G	97	Very high	95.5	Very high	39 Å²	39	26.1 Å²	26.1	40%	0.402	16%	0.155	S	C	.	.	H	α-helix	trans	53.2	-139.4	177.4	0	0	0	0	0	113.9	T150 K151 S152	G148-T150 VanDerWaalsContact C-N 3.31Å; G148-T150 PolarHBondContact O-N 3.37Å; G148-K151 WeakPolarHBondContact O-CB 3.17Å; G148-K151 PolarHBondContact O-N 3.19Å; G148-K151 VanDerWaalsContact O-N 3.13Å; G148-S152 PolarHBondContact O-N 3.18Å; G148-S152 VanDerWaalsContact O-N 3.07Å; G148-S152 PolarHBondContact O-OG 3.36Å
149	N	97.4	Very high	95.3	Very high	106 Å²	106	27 Å²	27	57%	0.567	16%	0.158	S	C	*	.	H	α-helix	trans	-62.8	-35.1	-176.8	-161.9	53.2	0	0	0	113.2	K151 S152 Q153 D390	N149-K151 VanDerWaalsContact C-N 3.3Å; N149-K151 PolarHBondContact O-N 2.89Å; N149-S152 PolarHBondContact O-N 3.13Å; N149-Q153 VanDerWaalsContact O-CB 3.27Å; N149-Q153 WeakPolarHBondContact O-CB 3.32Å; N149-Q153 PolarHBondContact O-N 2.95Å; N149-D390 PolarHBondContact ND2-OD2 3.01Å
150	T	98.2	Very high	94.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-57.3	-46.2	174.2	-51.3	0	0	0	0	110.7	S147 G148 Q153 M154 M391 N398 F399	S147-T150 PolarHBondContact O-N 3.34Å; G148-T150 VanDerWaalsContact C-N 3.31Å; G148-T150 PolarHBondContact O-N 3.37Å; T150-Q153 PolarHBondContact O-N 3.42Å; T150-M154 HydrophobicContact CG2-SD 4.3Å; T150-M154 WeakPolarHBondContact O-CB 3.36Å; T150-M154 VanDerWaalsContact O-CG 3.27Å; T150-M154 WeakPolarHBondContact O-CG 3.5Å; T150-M154 PolarHBondContact O-N 3.14Å; T150-M391 HydrophobicContact CG2-CB 4.06Å; T150-N398 PolarHBondContact OG1-N 2.9Å; T150-F399 HydrophobicContact CG2-CE1 4.39Å; T150-F399 HydrophobicContact CG2-CE2 4.38Å; T150-F399 HydrophobicContact CG2-CZ 4.05Å
151	K	97.6	Very high	93.8	Very high	41 Å²	41	35.4 Å²	35.4	18%	0.178	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-47.6	177.4	-170.8	168.8	-171.3	151.4	0	112.3	Y143 S146 S147 G148 N149 Q153 M154 K155 D165	Y143-K151 HydrophobicContact CD2-CG 4.01Å; Y143-K151 HydrophobicContact CE2-CD 4.19Å; Y143-K151 HydrophobicContact CE2-CG 3.35Å; Y143-K151 WeakPolarHBondContact OH-CE 3.34Å; S146-K151 VanDerWaalsContact OG-CA 3.27Å; S146-K151 WeakPolarHBondContact OG-CA 3.35Å; S146-K151 VanDerWaalsContact OG-CB 3.29Å; S146-K151 WeakPolarHBondContact OG-CB 3.17Å; S146-K151 WeakPolarHBondContact OG-CG 3.31Å; S147-K151 PolarHBondContact O-N 3Å; G148-K151 WeakPolarHBondContact O-CB 3.17Å; G148-K151 PolarHBondContact O-N 3.19Å; G148-K151 VanDerWaalsContact O-N 3.13Å; N149-K151 VanDerWaalsContact C-N 3.3Å; N149-K151 PolarHBondContact O-N 2.89Å; K151-Q153 VanDerWaalsContact C-N 3.35Å; K151-Q153 PolarHBondContact O-N 2.96Å; K151-M154 PolarHBondContact O-N 3.49Å; K151-K155 WeakPolarHBondContact O-CB 3.45Å; K151-K155 PolarHBondContact O-N 2.83Å; K151-D165 WeakPolarHBondContact CE-OD2 3.19Å; K151-D165 IonicContact NZ-OD1 2.74Å; K151-D165 IonicContact NZ-OD2 2.66Å; K151-D165 PolarHBondContact NZ-OD2 3.36Å
152	S	96.1	Very high	93.1	Very high	74 Å²	74	39.1 Å²	39.1	52%	0.517	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-43.7	178.9	-61.3	0	0	0	0	112.1	G148 N149 K155 S156	G148-S152 PolarHBondContact O-N 3.18Å; G148-S152 VanDerWaalsContact O-N 3.07Å; G148-S152 PolarHBondContact O-OG 3.36Å; N149-S152 PolarHBondContact O-N 3.13Å; S152-K155 PolarHBondContact O-N 3.34Å; S152-S156 WeakPolarHBondContact O-CB 3.35Å; S152-S156 PolarHBondContact O-N 3.18Å; S152-S156 PolarHBondContact O-OG 3.41Å
153	Q	95.5	Very high	92.5	Very high	30 Å²	30	39.5 Å²	39.5	14%	0.14	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-50.7	176.2	-174.2	-177.5	68.9	0	0	110.6	N149 T150 K151 K155 S156 K157 G387 L388 T389	N149-Q153 VanDerWaalsContact O-CB 3.27Å; N149-Q153 WeakPolarHBondContact O-CB 3.32Å; N149-Q153 PolarHBondContact O-N 2.95Å; T150-Q153 PolarHBondContact O-N 3.42Å; K151-Q153 VanDerWaalsContact C-N 3.35Å; K151-Q153 PolarHBondContact O-N 2.96Å; Q153-K155 PolarHBondContact O-N 3.36Å; Q153-S156 PolarHBondContact O-N 3.45Å; Q153-S156 PolarHBondContact O-OG 2.73Å; Q153-K157 VanDerWaalsContact O-CG 3.31Å; Q153-K157 WeakPolarHBondContact O-CG 3.44Å; Q153-K157 PolarHBondContact O-N 2.55Å; Q153-G387 VanDerWaalsContact CG-O 3.32Å; Q153-G387 WeakPolarHBondContact CG-O 3.47Å; Q153-G387 PolarHBondContact NE2-O 3.34Å; Q153-L388 HydrophobicContact CG-CD2 4.29Å; Q153-T389 PolarHBondContact NE2-OG1 3.35Å
154	M	95.9	Very high	92.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-58.2	-49.9	176.5	-71.9	-176.8	81.7	0	0	111.8	L139 T142 Y143 T150 K151 S156 K157 L158 L388 M391 F399	L139-M154 VanDerWaalsContact O-CE 3.28Å; L139-M154 WeakPolarHBondContact O-CE 3.47Å; T142-M154 HydrophobicContact CG2-CE 3.94Å; Y143-M154 HydrophobicContact CD2-CB 3.84Å; T150-M154 HydrophobicContact CG2-SD 4.3Å; T150-M154 WeakPolarHBondContact O-CB 3.36Å; T150-M154 VanDerWaalsContact O-CG 3.27Å; T150-M154 WeakPolarHBondContact O-CG 3.5Å; T150-M154 PolarHBondContact O-N 3.14Å; K151-M154 PolarHBondContact O-N 3.49Å; M154-S156 PolarHBondContact O-N 3.03Å; M154-K157 PolarHBondContact O-N 3.05Å; M154-L158 HydrophobicContact CB-CD1 4.07Å; M154-L158 HydrophobicContact CE-CD1 4.02Å; M154-L158 VanDerWaalsContact O-CB 3.29Å; M154-L158 WeakPolarHBondContact O-CB 3.47Å; M154-L158 WeakPolarHBondContact O-CG 3.05Å; M154-L158 PolarHBondContact O-N 3.44Å; M154-L388 HydrophobicContact CB-CD2 4.42Å; M154-L388 HydrophobicContact CG-CD2 4.07Å; M154-M391 HydrophobicContact CE-CE 4.37Å; M154-M391 HydrophobicContact CE-SD 4.39Å; M154-F399 HydrophobicContact SD-CE1 4.41Å
155	K	93.8	Very high	91.9	Very high	49 Å²	49	42.8 Å²	42.8	21%	0.213	26%	0.261	C	S	.	.	H	α-helix	trans	-55.9	-50.1	-179.4	-168.2	178.7	-178.5	177.9	0	112.1	Y143 K151 S152 Q153 K157 L158 F159 L163 I168	Y143-K155 HydrophobicContact CE2-CB 3.77Å; Y143-K155 HydrophobicContact CE2-CG 4.38Å; K151-K155 WeakPolarHBondContact O-CB 3.45Å; K151-K155 PolarHBondContact O-N 2.83Å; S152-K155 PolarHBondContact O-N 3.34Å; Q153-K155 PolarHBondContact O-N 3.36Å; K155-K157 PolarHBondContact O-N 2.7Å; K155-L158 PolarHBondContact O-N 3.46Å; K155-F159 PolarHBondContact O-N 3.34Å; K155-L163 WeakPolarHBondContact CE-O 3.25Å; K155-L163 PolarHBondContact NZ-O 3.13Å; K155-I168 HydrophobicContact CG-CD1 4.41Å
156	S	91.4	Very high	91.6	Very high	73 Å²	73	51 Å²	51	51%	0.51	30%	0.299	S	S	.	.	H	α-helix	trans	-64.5	-20.9	-176.1	71.5	0	0	0	0	114.5	S152 Q153 M154	S152-S156 WeakPolarHBondContact O-CB 3.35Å; S152-S156 PolarHBondContact O-N 3.18Å; S152-S156 PolarHBondContact O-OG 3.41Å; Q153-S156 PolarHBondContact O-N 3.45Å; Q153-S156 PolarHBondContact O-OG 2.73Å; M154-S156 PolarHBondContact O-N 3.03Å
157	K	91.1	Very high	91.1	Very high	73 Å²	73	54.2 Å²	54.2	32%	0.317	31%	0.314	S	S	.	.	H	α-helix	trans	-102.3	-27.9	-176.9	-64.9	-63.5	-177.7	171.5	0	113	Q153 M154 K155 F386 L388	Q153-K157 VanDerWaalsContact O-CG 3.31Å; Q153-K157 WeakPolarHBondContact O-CG 3.44Å; Q153-K157 PolarHBondContact O-N 2.55Å; M154-K157 PolarHBondContact O-N 3.05Å; K155-K157 PolarHBondContact O-N 2.7Å; K157-F386 HydrophobicContact CB-CD1 4.23Å; K157-F386 HydrophobicContact CB-CE1 3.64Å; K157-F386 HydrophobicContact CB-CZ 4.27Å; K157-F386 WeakPolarHBondContact O-CE1 3.48Å; K157-F386 VanDerWaalsContact O-CZ 3.24Å; K157-F386 WeakPolarHBondContact O-CZ 3.47Å; K157-L388 HydrophobicContact CB-CD2 3.82Å; K157-L388 HydrophobicContact CB-CG 4.37Å; K157-L388 HydrophobicContact CG-CD2 3.99Å
158	L	90.8	Very high	90.7	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-100.9	-31.1	-173.6	-59.8	176.6	0	0	0	113.1	F113 L136 L139 M154 K155 F386 L388	F113-L158 HydrophobicContact CD2-CD2 4.02Å; F113-L158 HydrophobicContact CE2-CD2 3.46Å; F113-L158 VanDerWaalsContact CE2-CD2 3.46Å; F113-L158 HydrophobicContact CZ-CD2 4.17Å; L136-L158 HydrophobicContact CD1-CB 3.91Å; L136-L158 HydrophobicContact CD1-CD2 4.16Å; L139-L158 HydrophobicContact CB-CD1 3.69Å; L139-L158 HydrophobicContact CB-CD2 4.12Å; L139-L158 HydrophobicContact CD1-CD2 3.61Å; L139-L158 HydrophobicContact CG-CD2 4.48Å; M154-L158 HydrophobicContact CB-CD1 4.07Å; M154-L158 HydrophobicContact CE-CD1 4.02Å; M154-L158 VanDerWaalsContact O-CB 3.29Å; M154-L158 WeakPolarHBondContact O-CB 3.47Å; M154-L158 WeakPolarHBondContact O-CG 3.05Å; M154-L158 PolarHBondContact O-N 3.44Å; K155-L158 PolarHBondContact O-N 3.46Å; L158-F386 HydrophobicContact CD2-CE1 4.33Å; L158-L388 HydrophobicContact CD2-CD1 4.12Å
159	F	87.6	Confident	90.4	Very high	18 Å²	18	51.8 Å²	51.8	8%	0.079	29%	0.289	C	S	.	.	S	Bend	trans	-133.4	162	-168.3	-52.4	-64	0	0	0	111	L136 Y143 K155 S161 I168 M172	L136-F159 HydrophobicContact CD1-CD1 4.44Å; L136-F159 HydrophobicContact CD1-CE1 3.82Å; L136-F159 HydrophobicContact CD1-CZ 4.23Å; L136-F159 HydrophobicContact CG-CE1 4.3Å; Y143-F159 HydrophobicContact CD1-CE2 4Å; Y143-F159 HydrophobicContact CD2-CE2 4.43Å; Y143-F159 HydrophobicContact CE1-CE2 4.45Å; Y143-F159 AromaticContact CG-CE2 3.99Å; Y143-F159 HydrophobicContact CG-CE2 3.99Å; K155-F159 PolarHBondContact O-N 3.34Å; F159-S161 PolarHBondContact O-N 2.93Å; F159-I168 HydrophobicContact CB-CD1 4Å; F159-I168 HydrophobicContact CB-CG1 4.31Å; F159-I168 HydrophobicContact CD1-CG2 3.98Å; F159-I168 HydrophobicContact CD2-CD1 3.85Å; F159-I168 HydrophobicContact CD2-CG1 4.45Å; F159-I168 HydrophobicContact CD2-CG2 4.09Å; F159-I168 HydrophobicContact CE1-CG2 3.77Å; F159-I168 HydrophobicContact CE2-CG2 3.9Å; F159-I168 HydrophobicContact CG-CD1 3.95Å; F159-I168 HydrophobicContact CG-CG1 4.17Å; F159-I168 HydrophobicContact CG-CG2 4.14Å; F159-I168 HydrophobicContact CZ-CG2 3.74Å; F159-M172 HydrophobicContact CE1-SD 4.28Å
160	E	81.8	Confident	89.9	Confident	81 Å²	81	49.8 Å²	49.8	38%	0.379	28%	0.283	S	S	.	.			trans	-65.2	129.4	168.7	-167.2	-178.6	138.8	0	0	109.9	S105 S162 L163	S105-E160 WeakPolarHBondContact CB-OE2 3.47Å; S105-E160 PolarHBondContact OG-OE2 3.15Å; E160-S162 VanDerWaalsContact CD-OG 3.25Å; E160-S162 WeakPolarHBondContact CG-OG 3.29Å; E160-S162 PolarHBondContact O-N 3.37Å; E160-S162 VanDerWaalsContact O-N 3.09Å; E160-S162 PolarHBondContact OE1-OG 2.91Å; E160-L163 HydrophobicContact CB-CD1 4.09Å; E160-L163 HydrophobicContact CB-CG 4.18Å; E160-L163 PolarHBondContact O-N 3.23Å; E160-L163 VanDerWaalsContact O-N 3.1Å
161	S	77.5	Confident	89.2	Confident	97 Å²	97	50.8 Å²	50.8	68%	0.678	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.3	-173.7	53.2	0	0	0	0	114	F159 L163	F159-S161 PolarHBondContact O-N 2.93Å; S161-L163 VanDerWaalsContact C-N 3.31Å
162	S	79	Confident	88.7	Confident	77 Å²	77	48.9 Å²	48.9	54%	0.538	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-23.9	179.3	64.7	0	0	0	0	113.3	E160	E160-S162 VanDerWaalsContact CD-OG 3.25Å; E160-S162 WeakPolarHBondContact CG-OG 3.29Å; E160-S162 PolarHBondContact O-N 3.37Å; E160-S162 VanDerWaalsContact O-N 3.09Å; E160-S162 PolarHBondContact OE1-OG 2.91Å
163	L	84.4	Confident	88.2	Confident	8 Å²	8	45.7 Å²	45.7	4%	0.042	26%	0.258	C	S	.	.			trans	-77.4	134.9	-173.6	-62.7	174.6	0	0	0	111.8	L102 K155 E160 S161 Q167 I168 L171	L102-L163 HydrophobicContact CD1-CD2 3.8Å; L102-L163 HydrophobicContact CG-CD2 4.17Å; K155-L163 WeakPolarHBondContact CE-O 3.25Å; K155-L163 PolarHBondContact NZ-O 3.13Å; E160-L163 HydrophobicContact CB-CD1 4.09Å; E160-L163 HydrophobicContact CB-CG 4.18Å; E160-L163 PolarHBondContact O-N 3.23Å; E160-L163 VanDerWaalsContact O-N 3.1Å; S161-L163 VanDerWaalsContact C-N 3.31Å; L163-Q167 HydrophobicContact CD2-CB 4.38Å; L163-I168 HydrophobicContact CB-CD1 4.29Å; L163-I168 HydrophobicContact CB-CG1 3.84Å; L163-I168 HydrophobicContact CD1-CG1 4.43Å; L163-L171 HydrophobicContact CD1-CD1 3.74Å; L163-L171 HydrophobicContact CD2-CD1 4.41Å
164	G	89.3	Confident	87.6	Confident	29 Å²	29	47.1 Å²	47.1	30%	0.299	27%	0.271	S	S	.	.			trans	-76	165.2	169.9	0	0	0	0	0	112.7	E166 Q167 I168	G164-E166 VanDerWaalsContact C-N 3.32Å; G164-E166 PolarHBondContact O-N 3.04Å; G164-Q167 WeakPolarHBondContact O-CB 3.33Å; G164-Q167 PolarHBondContact O-N 2.89Å; G164-I168 WeakPolarHBondContact O-CG1 3.39Å; G164-I168 PolarHBondContact O-N 3.27Å
165	D	92.2	Very high	87	Confident	65 Å²	65	47.1 Å²	47.1	35%	0.348	27%	0.271	S	S	.	.	H	α-helix	trans	-59.1	-42.1	179.8	-72.2	-4.7	0	0	0	112.8	Y143 K151 Q167 I168 N169	Y143-D165 PolarHBondContact OH-OD1 3.2Å; K151-D165 WeakPolarHBondContact CE-OD2 3.19Å; K151-D165 IonicContact NZ-OD1 2.74Å; K151-D165 IonicContact NZ-OD2 2.66Å; K151-D165 PolarHBondContact NZ-OD2 3.36Å; D165-Q167 VanDerWaalsContact C-N 3.33Å; D165-Q167 PolarHBondContact O-N 2.96Å; D165-I168 PolarHBondContact O-N 3.35Å; D165-N169 WeakPolarHBondContact O-CB 3.42Å; D165-N169 PolarHBondContact O-N 3.15Å
166	E	90.7	Very high	86.5	Confident	171 Å²	171	45.3 Å²	45.3	80%	0.799	26%	0.264	S	S	*	.	H	α-helix	trans	-64	-39.9	177.7	-171.7	180	179.9	0	0	111.6	G164 N169 S170	G164-E166 VanDerWaalsContact C-N 3.32Å; G164-E166 PolarHBondContact O-N 3.04Å; E166-N169 PolarHBondContact O-N 3.44Å; E166-S170 VanDerWaalsContact O-CB 3.27Å; E166-S170 WeakPolarHBondContact O-CB 3.31Å; E166-S170 PolarHBondContact O-N 3.44Å
167	Q	88	Confident	86.1	Confident	69 Å²	69	48.7 Å²	48.7	32%	0.322	27%	0.269	S	S	.	.	H	α-helix	trans	-66.2	-44	176.2	-68.4	173.3	-30.7	0	0	111.1	L163 G164 D165 S170 L171	L163-Q167 HydrophobicContact CD2-CB 4.38Å; G164-Q167 WeakPolarHBondContact O-CB 3.33Å; G164-Q167 PolarHBondContact O-N 2.89Å; D165-Q167 VanDerWaalsContact C-N 3.33Å; D165-Q167 PolarHBondContact O-N 2.96Å; Q167-S170 PolarHBondContact O-N 3.48Å; Q167-L171 WeakPolarHBondContact O-CB 3.36Å; Q167-L171 VanDerWaalsContact O-CG 3.22Å; Q167-L171 WeakPolarHBondContact O-CG 3.38Å; Q167-L171 PolarHBondContact O-N 3.45Å
168	I	89.8	Confident	85.3	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-59	-50.6	175.6	-68.5	164.7	0	0	0	109.9	Y143 K155 F159 L163 G164 D165 S170 L171 M172	Y143-I168 HydrophobicContact CE1-CD1 4.23Å; K155-I168 HydrophobicContact CG-CD1 4.41Å; F159-I168 HydrophobicContact CB-CD1 4Å; F159-I168 HydrophobicContact CB-CG1 4.31Å; F159-I168 HydrophobicContact CD1-CG2 3.98Å; F159-I168 HydrophobicContact CD2-CD1 3.85Å; F159-I168 HydrophobicContact CD2-CG1 4.45Å; F159-I168 HydrophobicContact CD2-CG2 4.09Å; F159-I168 HydrophobicContact CE1-CG2 3.77Å; F159-I168 HydrophobicContact CE2-CG2 3.9Å; F159-I168 HydrophobicContact CG-CD1 3.95Å; F159-I168 HydrophobicContact CG-CG1 4.17Å; F159-I168 HydrophobicContact CG-CG2 4.14Å; F159-I168 HydrophobicContact CZ-CG2 3.74Å; L163-I168 HydrophobicContact CB-CD1 4.29Å; L163-I168 HydrophobicContact CB-CG1 3.84Å; L163-I168 HydrophobicContact CD1-CG1 4.43Å; G164-I168 WeakPolarHBondContact O-CG1 3.39Å; G164-I168 PolarHBondContact O-N 3.27Å; D165-I168 PolarHBondContact O-N 3.35Å; I168-S170 VanDerWaalsContact C-N 3.34Å; I168-S170 PolarHBondContact O-N 2.8Å; I168-L171 PolarHBondContact O-N 3.34Å; I168-M172 HydrophobicContact CG2-CG 4.35Å; I168-M172 WeakPolarHBondContact O-CB 3.37Å; I168-M172 VanDerWaalsContact O-CG 3.27Å; I168-M172 WeakPolarHBondContact O-CG 3.32Å; I168-M172 PolarHBondContact O-N 2.65Å
169	N	91.2	Very high	84.6	Confident	20 Å²	20	46.2 Å²	46.2	11%	0.107	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-40.3	179.5	-76.7	-15.3	0	0	0	112.6	D165 E166 M172 S173 C211 H215 Y216	D165-N169 WeakPolarHBondContact O-CB 3.42Å; D165-N169 PolarHBondContact O-N 3.15Å; E166-N169 PolarHBondContact O-N 3.44Å; N169-M172 PolarHBondContact O-N 3.34Å; N169-S173 VanDerWaalsContact O-CB 3.27Å; N169-S173 WeakPolarHBondContact O-CB 3.3Å; N169-S173 PolarHBondContact O-N 3.44Å; N169-C211 PolarHBondContact ND2-SG 2.76Å; N169-H215 HydrophobicContact CB-CB 4.27Å; N169-Y216 WeakPolarHBondContact OD1-CE2 3.12Å; N169-Y216 PolarHBondContact OD1-OH 2.94Å
170	S	87	Confident	83.7	Confident	64 Å²	64	50.7 Å²	50.7	45%	0.448	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-43.4	176.4	-176.2	0	0	0	0	112.4	E166 Q167 I168 S173 S174	E166-S170 VanDerWaalsContact O-CB 3.27Å; E166-S170 WeakPolarHBondContact O-CB 3.31Å; E166-S170 PolarHBondContact O-N 3.44Å; Q167-S170 PolarHBondContact O-N 3.48Å; I168-S170 VanDerWaalsContact C-N 3.34Å; I168-S170 PolarHBondContact O-N 2.8Å; S170-S173 PolarHBondContact O-N 2.87Å; S170-S174 WeakPolarHBondContact O-CB 3.49Å; S170-S174 PolarHBondContact O-N 2.86Å; S170-S174 PolarHBondContact O-OG 2.91Å
171	L	82.7	Confident	82.9	Confident	21 Å²	21	52.2 Å²	52.2	11%	0.11	29%	0.289	C	S	.	.	H	α-helix	trans	-62.3	-48	175.5	-73.9	167.9	0	0	0	111.2	L102 L106 L163 Q167 I168 S173 S174 A175	L102-L171 HydrophobicContact CB-CD2 4.24Å; L102-L171 HydrophobicContact CD2-CD1 4.15Å; L102-L171 HydrophobicContact CD2-CD2 3.84Å; L102-L171 HydrophobicContact CD2-CG 3.96Å; L102-L171 HydrophobicContact CG-CD1 4.13Å; L102-L171 HydrophobicContact CG-CD2 4.11Å; L102-L171 HydrophobicContact CG-CG 4.38Å; L106-L171 HydrophobicContact CB-CD2 4.4Å; L106-L171 HydrophobicContact CD1-CB 4.37Å; L106-L171 HydrophobicContact CD1-CD1 4.48Å; L106-L171 HydrophobicContact CD2-CB 4.45Å; L106-L171 HydrophobicContact CD2-CD2 4.19Å; L163-L171 HydrophobicContact CD1-CD1 3.74Å; L163-L171 HydrophobicContact CD2-CD1 4.41Å; Q167-L171 WeakPolarHBondContact O-CB 3.36Å; Q167-L171 VanDerWaalsContact O-CG 3.22Å; Q167-L171 WeakPolarHBondContact O-CG 3.38Å; Q167-L171 PolarHBondContact O-N 3.45Å; I168-L171 PolarHBondContact O-N 3.34Å; L171-S173 VanDerWaalsContact C-N 3.35Å; L171-S173 PolarHBondContact O-N 3.47Å; L171-S174 PolarHBondContact O-N 3.49Å; L171-A175 WeakPolarHBondContact O-CB 3.16Å; L171-A175 PolarHBondContact O-N 2.94Å
172	M	86.3	Confident	82.4	Confident	1 Å²	1	50 Å²	50	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-39.8	178.4	-66.5	-54.9	-66.1	0	0	111.8	F133 L136 V137 F159 I168 N169 A175 M176 Y216	F133-M172 HydrophobicContact CE2-CE 4.16Å; F133-M172 HydrophobicContact CZ-CE 4.48Å; L136-M172 HydrophobicContact CD2-SD 4.47Å; L136-M172 HydrophobicContact CG-CE 4.24Å; V137-M172 HydrophobicContact CB-CE 4.14Å; V137-M172 HydrophobicContact CG2-CE 3.53Å; F159-M172 HydrophobicContact CE1-SD 4.28Å; I168-M172 HydrophobicContact CG2-CG 4.35Å; I168-M172 WeakPolarHBondContact O-CB 3.37Å; I168-M172 VanDerWaalsContact O-CG 3.27Å; I168-M172 WeakPolarHBondContact O-CG 3.32Å; I168-M172 PolarHBondContact O-N 2.65Å; N169-M172 PolarHBondContact O-N 3.34Å; M172-A175 PolarHBondContact O-N 3.28Å; M172-M176 WeakPolarHBondContact O-CB 3.27Å; M172-M176 WeakPolarHBondContact O-CG 3.18Å; M172-M176 PolarHBondContact O-N 2.84Å; M172-Y216 HydrophobicContact CB-CD1 4.23Å; M172-Y216 HydrophobicContact CB-CE1 3.6Å; M172-Y216 HydrophobicContact CE-CE1 4.1Å; M172-Y216 HydrophobicContact CG-CE1 3.74Å
173	S	87.2	Confident	82	Confident	8 Å²	8	48.1 Å²	48.1	6%	0.056	26%	0.257	C	S	.	.	H	α-helix	trans	-62.4	-43.9	174.7	-170.9	0	0	0	0	111.9	N169 S170 L171 M176 K177 H215	N169-S173 VanDerWaalsContact O-CB 3.27Å; N169-S173 WeakPolarHBondContact O-CB 3.3Å; N169-S173 PolarHBondContact O-N 3.44Å; S170-S173 PolarHBondContact O-N 2.87Å; L171-S173 VanDerWaalsContact C-N 3.35Å; L171-S173 PolarHBondContact O-N 3.47Å; S173-M176 PolarHBondContact O-N 2.94Å; S173-K177 WeakPolarHBondContact O-CB 3.31Å; S173-K177 VanDerWaalsContact O-CG 3.24Å; S173-K177 WeakPolarHBondContact O-CG 3.12Å; S173-K177 PolarHBondContact O-N 3.24Å; S173-K177 WeakPolarHBondContact OG-CE 3.35Å; S173-K177 PolarHBondContact OG-NZ 3.33Å; S173-H215 WeakPolarHBondContact CA-O 3.19Å; S173-H215 PolarHBondContact N-O 3.42Å
174	S	83	Confident	81.2	Confident	60 Å²	60	52.2 Å²	52.2	42%	0.42	28%	0.283	S	S	.	.	H	α-helix	trans	-64.5	-45.8	178.4	-60.4	0	0	0	0	111.4	S170 L171 K177 S178	S170-S174 WeakPolarHBondContact O-CB 3.49Å; S170-S174 PolarHBondContact O-N 2.86Å; S170-S174 PolarHBondContact O-OG 2.91Å; L171-S174 PolarHBondContact O-N 3.49Å; S174-K177 PolarHBondContact O-N 2.92Å; S174-S178 PolarHBondContact O-N 3.49Å
175	A	82.1	Confident	80.2	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60	-48.1	175.1	0	0	0	0	0	111.7	F133 L171 M172 K177 S178 L179 I468	F133-A175 HydrophobicContact CE2-CB 3.67Å; F133-A175 HydrophobicContact CZ-CB 3.57Å; L171-A175 WeakPolarHBondContact O-CB 3.16Å; L171-A175 PolarHBondContact O-N 2.94Å; M172-A175 PolarHBondContact O-N 3.28Å; A175-K177 PolarHBondContact O-N 2.78Å; A175-S178 PolarHBondContact O-N 2.79Å; A175-S178 PolarHBondContact O-OG 2.88Å; A175-L179 PolarHBondContact O-N 3.36Å; A175-I468 HydrophobicContact CB-CD1 3.41Å; A175-I468 VanDerWaalsContact CB-CD1 3.41Å
176	M	84	Confident	79.3	Confident	10 Å²	10	63 Å²	63	5%	0.049	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-45.7	177.7	-78.3	-58.1	-64.6	0	0	112.1	F133 V137 M172 S173 S178 L179 N180	F133-M176 HydrophobicContact CE1-SD 3.91Å; F133-M176 HydrophobicContact CZ-SD 4.13Å; V137-M176 HydrophobicContact CB-SD 4.24Å; V137-M176 HydrophobicContact CG1-CE 4.33Å; V137-M176 HydrophobicContact CG1-CG 4.31Å; V137-M176 HydrophobicContact CG1-SD 3.71Å; V137-M176 HydrophobicContact CG2-CG 4.17Å; V137-M176 HydrophobicContact CG2-SD 3.48Å; V137-M176 WeakPolarHBondContact CG2-SD 3.36Å; M172-M176 WeakPolarHBondContact O-CB 3.27Å; M172-M176 WeakPolarHBondContact O-CG 3.18Å; M172-M176 PolarHBondContact O-N 2.84Å; S173-M176 PolarHBondContact O-N 2.94Å; M176-S178 PolarHBondContact O-N 3.29Å; M176-L179 PolarHBondContact O-N 3.11Å; M176-L179 VanDerWaalsContact O-N 3.11Å; M176-N180 VanDerWaalsContact O-CB 3.22Å; M176-N180 WeakPolarHBondContact O-CB 3.4Å; M176-N180 PolarHBondContact O-N 2.83Å
177	K	81.8	Confident	78.8	Confident	144 Å²	144	55.6 Å²	55.6	63%	0.626	29%	0.286	S	S	*	.	H	α-helix	trans	-60.2	-34.3	177.1	-76.1	168.6	-179.5	164.2	0	112.5	S173 S174 A175 L179	S173-K177 WeakPolarHBondContact O-CB 3.31Å; S173-K177 VanDerWaalsContact O-CG 3.24Å; S173-K177 WeakPolarHBondContact O-CG 3.12Å; S173-K177 PolarHBondContact O-N 3.24Å; S173-K177 WeakPolarHBondContact OG-CE 3.35Å; S173-K177 PolarHBondContact OG-NZ 3.33Å; S174-K177 PolarHBondContact O-N 2.92Å; A175-K177 PolarHBondContact O-N 2.78Å; K177-L179 VanDerWaalsContact C-N 3.3Å; K177-L179 PolarHBondContact O-N 2.86Å
178	S	75.5	Confident	78.6	Confident	21 Å²	21	52.8 Å²	52.8	15%	0.147	27%	0.272	C	S	.	.	H	α-helix	trans	-68.7	-30.3	178	80.8	0	0	0	0	113.4	S174 A175 M176 D463 N466	S174-S178 PolarHBondContact O-N 3.49Å; A175-S178 PolarHBondContact O-N 2.79Å; A175-S178 PolarHBondContact O-OG 2.88Å; M176-S178 PolarHBondContact O-N 3.29Å; S178-D463 PolarHBondContact OG-OD2 2.84Å; S178-N466 WeakPolarHBondContact CB-ND2 3.24Å; S178-N466 PolarHBondContact OG-ND2 3.18Å
179	L	76.2	Confident	78.3	Confident	5 Å²	5	54.1 Å²	54.1	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-97.3	-20.2	-176.7	-66.3	165.7	0	0	0	113.2	F133 A175 M176 K177 Y181 L190 D463 L470	F133-L179 HydrophobicContact CD1-CD1 3.46Å; F133-L179 VanDerWaalsContact CD1-CD1 3.46Å; F133-L179 HydrophobicContact CE1-CD1 3.08Å; F133-L179 HydrophobicContact CG-CD1 4.42Å; F133-L179 HydrophobicContact CZ-CD1 3.77Å; A175-L179 PolarHBondContact O-N 3.36Å; M176-L179 PolarHBondContact O-N 3.11Å; M176-L179 VanDerWaalsContact O-N 3.11Å; K177-L179 VanDerWaalsContact C-N 3.3Å; K177-L179 PolarHBondContact O-N 2.86Å; L179-Y181 PolarHBondContact O-N 3.13Å; L179-L190 HydrophobicContact CB-CD2 4.01Å; L179-L190 HydrophobicContact CD2-CD2 4.11Å; L179-D463 HydrophobicContact CD2-CB 4.43Å; L179-L470 HydrophobicContact CD1-CD2 3.42Å; L179-L470 VanDerWaalsContact CD1-CD2 3.42Å; L179-L470 HydrophobicContact CD2-CD1 3.55Å; L179-L470 HydrophobicContact CD2-CD2 3.53Å; L179-L470 HydrophobicContact CD2-CG 4.16Å; L179-L470 HydrophobicContact CG-CD2 4.1Å
180	N	68.5	Low	78	Confident	112 Å²	112	53.8 Å²	53.8	60%	0.599	28%	0.276	S	S	*	.			trans	-76.9	39.5	179.9	-155.8	9.8	0	0	0	112.6	M176	M176-N180 VanDerWaalsContact O-CB 3.22Å; M176-N180 WeakPolarHBondContact O-CB 3.4Å; M176-N180 PolarHBondContact O-N 2.83Å
181	Y	65.4	Low	77.9	Confident	113 Å²	113	52.1 Å²	52.1	44%	0.443	26%	0.262	S	S	.	.			trans	-119.1	119.5	169.1	-179.6	-102.4	0	0	0	106.6	L179 N183 D186 Y188	L179-Y181 PolarHBondContact O-N 3.13Å; Y181-N183 HydrophobicContact CD1-CB 4.46Å; Y181-N183 HydrophobicContact CE1-CB 3.59Å; Y181-N183 HydrophobicContact CE2-CB 4.24Å; Y181-N183 VanDerWaalsContact CZ-CB 3.47Å; Y181-N183 VanDerWaalsContact OH-CB 3.31Å; Y181-N183 WeakPolarHBondContact OH-CB 3.31Å; Y181-N183 PolarHBondContact OH-ND2 3.49Å; Y181-D186 PolarHBondContact OH-OD2 3.2Å; Y181-Y188 AromaticContact CD1-CD1 3.96Å; Y181-Y188 HydrophobicContact CD1-CD1 3.96Å; Y181-Y188 HydrophobicContact CD1-CE1 4.17Å; Y181-Y188 HydrophobicContact CE1-CD1 4.47Å; Y181-Y188 WeakPolarHBondContact O-CE1 3.42Å
182	S	67.1	Low	78	Confident	50 Å²	50	53.2 Å²	53.2	35%	0.35	27%	0.267	S	S	.	.			trans	-125.4	119.9	168.3	177.7	0	0	0	0	105.9
183	N	70	Confident	78	Confident	37 Å²	37	53.2 Å²	53.2	20%	0.198	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-131	94	175.4	-170	-1.8	0	0	0	109.7	Y181 R185 D186 G187 Y188	Y181-N183 HydrophobicContact CD1-CB 4.46Å; Y181-N183 HydrophobicContact CE1-CB 3.59Å; Y181-N183 HydrophobicContact CE2-CB 4.24Å; Y181-N183 VanDerWaalsContact CZ-CB 3.47Å; Y181-N183 VanDerWaalsContact OH-CB 3.31Å; Y181-N183 WeakPolarHBondContact OH-CB 3.31Å; Y181-N183 PolarHBondContact OH-ND2 3.49Å; N183-R185 PolarHBondContact O-N 3.4Å; N183-R185 WeakPolarHBondContact OD1-CB 3.16Å; N183-R185 PolarHBondContact OD1-N 3.2Å; N183-R185 VanDerWaalsContact OD1-N 3.12Å; N183-D186 HydrophobicContact CB-CB 4.23Å; N183-D186 PolarHBondContact ND2-OD1 2.94Å; N183-D186 PolarHBondContact ND2-OD2 2.9Å; N183-D186 PolarHBondContact O-N 3.02Å; N183-G187 PolarHBondContact O-N 3.23Å; N183-Y188 CarbonylContact C-O 3.53Å; N183-Y188 PolarHBondContact N-O 2.98Å; N183-Y188 PolarHBondContact O-N 3.12Å; N183-Y188 VanDerWaalsContact O-N 3.13Å
184	T	66.8	Low	78.1	Confident	94 Å²	94	53.4 Å²	53.4	58%	0.577	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-62.7	-25.3	179.3	53.9	0	0	0	0	112.4	D186 G187 E189	T184-D186 VanDerWaalsContact C-N 3.27Å; T184-D186 PolarHBondContact O-N 3.06Å; T184-G187 PolarHBondContact O-N 3.45Å; T184-E189 HydrophobicContact CG2-CB 4.23Å; T184-E189 HydrophobicContact CG2-CG 4.08Å
185	R	68.6	Low	78.6	Confident	230 Å²	230	52.2 Å²	52.2	87%	0.868	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-68.3	-30.8	175.1	-63.3	-176.8	179.6	177.8	0.1	112.1	N183 G187	N183-R185 PolarHBondContact O-N 3.4Å; N183-R185 WeakPolarHBondContact OD1-CB 3.16Å; N183-R185 PolarHBondContact OD1-N 3.2Å; N183-R185 VanDerWaalsContact OD1-N 3.12Å; R185-G187 VanDerWaalsContact C-N 3.3Å
186	D	74.2	Confident	79.3	Confident	92 Å²	92	52.2 Å²	52.2	49%	0.492	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-93.8	10.4	179.4	-60.9	-8.3	0	0	0	111.9	Y181 N183 T184 V323	Y181-D186 PolarHBondContact OH-OD2 3.2Å; N183-D186 HydrophobicContact CB-CB 4.23Å; N183-D186 PolarHBondContact ND2-OD1 2.94Å; N183-D186 PolarHBondContact ND2-OD2 2.9Å; N183-D186 PolarHBondContact O-N 3.02Å; T184-D186 VanDerWaalsContact C-N 3.27Å; T184-D186 PolarHBondContact O-N 3.06Å; D186-V323 WeakPolarHBondContact O-CG2 3.29Å
187	G	80.1	Confident	79.9	Confident	14 Å²	14	51.7 Å²	51.7	14%	0.144	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	24.1	179.2	0	0	0	0	0	114.3	N183 T184 R185 A272 D273	N183-G187 PolarHBondContact O-N 3.23Å; T184-G187 PolarHBondContact O-N 3.45Å; R185-G187 VanDerWaalsContact C-N 3.3Å; G187-A272 CarbonylContact O-C 3.42Å; G187-A272 VanDerWaalsContact O-CA 3.28Å; G187-A272 WeakPolarHBondContact O-CA 3.38Å; G187-D273 PolarHBondContact O-N 2.93Å
188	Y	82.9	Confident	80.6	Confident	10 Å²	10	44.9 Å²	44.9	4%	0.039	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	119.2	177.5	173.4	-122	0	0	0	111.8	Y181 N183 L190 F270 A272 T324 L327	Y181-Y188 AromaticContact CD1-CD1 3.96Å; Y181-Y188 HydrophobicContact CD1-CD1 3.96Å; Y181-Y188 HydrophobicContact CD1-CE1 4.17Å; Y181-Y188 HydrophobicContact CE1-CD1 4.47Å; Y181-Y188 WeakPolarHBondContact O-CE1 3.42Å; N183-Y188 CarbonylContact C-O 3.53Å; N183-Y188 PolarHBondContact N-O 2.98Å; N183-Y188 PolarHBondContact O-N 3.12Å; N183-Y188 VanDerWaalsContact O-N 3.13Å; Y188-L190 HydrophobicContact CE2-CB 4.1Å; Y188-L190 WeakPolarHBondContact OH-CB 3.38Å; Y188-L190 VanDerWaalsContact OH-CD2 3.25Å; Y188-L190 WeakPolarHBondContact OH-CD2 3.43Å; Y188-F270 HydrophobicContact CD2-CE2 4.36Å; Y188-F270 HydrophobicContact CE2-CD2 4.28Å; Y188-F270 AromaticContact CE2-CE2 3.77Å; Y188-F270 HydrophobicContact CE2-CE2 3.77Å; Y188-A272 HydrophobicContact CD2-CB 3.88Å; Y188-T324 HydrophobicContact CD1-CG2 4.46Å; Y188-T324 HydrophobicContact CD2-CG2 3.85Å; Y188-T324 HydrophobicContact CE2-CG2 4.25Å; Y188-T324 HydrophobicContact CG-CG2 3.99Å; Y188-L327 HydrophobicContact CD2-CD1 4.24Å; Y188-L327 HydrophobicContact CE2-CD1 3.44Å; Y188-L327 VanDerWaalsContact CE2-CD1 3.44Å
189	E	83.8	Confident	81.6	Confident	31 Å²	31	45 Å²	45	15%	0.145	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	115.1	-177.7	-170.9	173.9	-149.9	0	0	110.6	T184 H191 Y269 K271	T184-E189 HydrophobicContact CG2-CB 4.23Å; T184-E189 HydrophobicContact CG2-CG 4.08Å; E189-H191 VanDerWaalsContact CD-NE2 3.32Å; E189-H191 WeakPolarHBondContact CG-CD2 3.36Å; E189-H191 WeakPolarHBondContact CG-NE2 3.16Å; E189-H191 IonicContact OE1-CD2 2.7Å; E189-H191 PolarHBondContact OE1-CD2 3.31Å; E189-H191 IonicContact OE1-CE1 3.88Å; E189-H191 IonicContact OE1-NE2 3.84Å; E189-H191 PolarHBondContact OE1-NE2 2.9Å; E189-Y269 HydrophobicContact CG-CE1 3.94Å; E189-Y269 VanDerWaalsContact OE2-CE1 3.31Å; E189-Y269 WeakPolarHBondContact OE2-CE1 3.27Å; E189-Y269 PolarHBondContact OE2-OH 3.47Å; E189-K271 WeakPolarHBondContact CA-O 3.46Å; E189-K271 HydrophobicContact CB-CB 4.42Å; E189-K271 PolarHBondContact N-O 3.28Å; E189-K271 PolarHBondContact O-N 2.84Å; E189-K271 VanDerWaalsContact O-O 3.05Å
190	L	85	Confident	82.4	Confident	12 Å²	12	48.5 Å²	48.5	6%	0.063	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	116.1	175	175.2	61.4	0	0	0	108.7	L179 Y188 I192 I268 F270	L179-L190 HydrophobicContact CB-CD2 4.01Å; L179-L190 HydrophobicContact CD2-CD2 4.11Å; Y188-L190 HydrophobicContact CE2-CB 4.1Å; Y188-L190 WeakPolarHBondContact OH-CB 3.38Å; Y188-L190 VanDerWaalsContact OH-CD2 3.25Å; Y188-L190 WeakPolarHBondContact OH-CD2 3.43Å; L190-I192 HydrophobicContact CD1-CD1 4.44Å; L190-I192 HydrophobicContact CD1-CG1 4.07Å; L190-I192 HydrophobicContact CD2-CD1 4.18Å; L190-I192 HydrophobicContact CG-CD1 4.32Å; L190-I192 HydrophobicContact CG-CG1 4.16Å; L190-I268 HydrophobicContact CD1-CD1 3.83Å; L190-I268 HydrophobicContact CD1-CG1 3.88Å; L190-F270 HydrophobicContact CD1-CB 4.32Å; L190-F270 HydrophobicContact CD1-CD2 4.27Å
191	H	84.4	Confident	83.5	Confident	30 Å²	30	52.1 Å²	52.1	14%	0.139	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	116.2	176.8	-65.9	-77.7	0	0	0	109.9	E189 K242 I268 Y269	E189-H191 VanDerWaalsContact CD-NE2 3.32Å; E189-H191 WeakPolarHBondContact CG-CD2 3.36Å; E189-H191 WeakPolarHBondContact CG-NE2 3.16Å; E189-H191 IonicContact OE1-CD2 2.7Å; E189-H191 PolarHBondContact OE1-CD2 3.31Å; E189-H191 IonicContact OE1-CE1 3.88Å; E189-H191 IonicContact OE1-NE2 3.84Å; E189-H191 PolarHBondContact OE1-NE2 2.9Å; H191-K242 WeakPolarHBondContact CB-O 3.36Å; H191-I268 WeakPolarHBondContact O-CA 3.38Å; H191-Y269 HydrophobicContact CB-CD1 4.36Å; H191-Y269 AromaticContact CD2-CD1 3.65Å; H191-Y269 AromaticContact CD2-CE1 3.94Å; H191-Y269 PolarHBondContact N-O 2.78Å; H191-Y269 PolarHBondContact O-N 3Å
192	I	85.2	Confident	84.8	Confident	43 Å²	43	48.1 Å²	48.1	22%	0.221	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.1	177.8	-59.2	174.9	0	0	0	108.2	L190 N194 I268	L190-I192 HydrophobicContact CD1-CD1 4.44Å; L190-I192 HydrophobicContact CD1-CG1 4.07Å; L190-I192 HydrophobicContact CD2-CD1 4.18Å; L190-I192 HydrophobicContact CG-CD1 4.32Å; L190-I192 HydrophobicContact CG-CG1 4.16Å; I192-N194 HydrophobicContact CG2-CB 4.37Å; I192-N194 WeakPolarHBondContact CG2-ND2 3.29Å; I192-N194 VanDerWaalsContact CG2-OD1 3.3Å; I192-N194 WeakPolarHBondContact CG2-OD1 3.28Å; I192-I268 HydrophobicContact CD1-CD1 4.3Å; I192-I268 HydrophobicContact CG1-CD1 3.91Å; I192-I268 HydrophobicContact CG1-CG1 3.95Å
193	A	86.8	Confident	86.1	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	92.1	175.9	0	0	0	0	0	109.2	W238 K242 T243 N266 A267	A193-W238 HydrophobicContact CB-CH2 3.88Å; A193-W238 HydrophobicContact CB-CZ3 3.83Å; A193-K242 HydrophobicContact CB-CB 3.61Å; A193-K242 HydrophobicContact CB-CG 4.34Å; A193-T243 HydrophobicContact CB-CG2 4.17Å; A193-N266 WeakPolarHBondContact O-CA 3.47Å; A193-A267 HydrophobicContact CB-CB 4.19Å; A193-A267 PolarHBondContact N-O 2.83Å; A193-A267 PolarHBondContact O-N 3.36Å
194	N	89	Confident	87.4	Confident	13 Å²	13	52.8 Å²	52.8	7%	0.07	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.7	180	-66.2	-8.3	0	0	0	110.3	V137 M141 I192 I265 N266	V137-N194 VanDerWaalsContact CG1-ND2 3.31Å; V137-N194 WeakPolarHBondContact CG1-ND2 3.43Å; M141-N194 HydrophobicContact CE-CB 4.38Å; M141-N194 HydrophobicContact SD-CB 4.5Å; I192-N194 HydrophobicContact CG2-CB 4.37Å; I192-N194 WeakPolarHBondContact CG2-ND2 3.29Å; I192-N194 VanDerWaalsContact CG2-OD1 3.3Å; I192-N194 WeakPolarHBondContact CG2-OD1 3.28Å; N194-I265 WeakPolarHBondContact CA-O 3.15Å; N194-N266 PolarHBondContact OD1-ND2 2.93Å
195	R	93.8	Very high	88.9	Confident	34 Å²	34	50.9 Å²	50.9	13%	0.128	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	144.5	178.7	178.3	163.4	-74.6	-167.9	-5.1	111.6	F197 D219 E221 W238 I265	R195-F197 HydrophobicContact CB-CD2 4.42Å; R195-F197 HydrophobicContact CB-CE2 3.88Å; R195-F197 HydrophobicContact CB-CZ 4.29Å; R195-F197 HydrophobicContact CG-CD1 4.43Å; R195-F197 HydrophobicContact CG-CD2 3.98Å; R195-F197 HydrophobicContact CG-CE1 4.18Å; R195-F197 HydrophobicContact CG-CE2 3.66Å; R195-F197 HydrophobicContact CG-CG 4.37Å; R195-F197 HydrophobicContact CG-CZ 3.8Å; R195-D219 WeakPolarHBondContact CG-O 3.04Å; R195-D219 IonicContact NH2-OD2 2.68Å; R195-E221 IonicContact CZ-OE2 2.7Å; R195-E221 IonicContact NH1-OE2 2.67Å; R195-E221 PolarHBondContact NH1-OE2 2.83Å; R195-W238 HydrophobicContact CB-CH2 3.34Å; R195-W238 HydrophobicContact CB-CZ2 3.66Å; R195-W238 HydrophobicContact CB-CZ3 3.93Å; R195-W238 HydrophobicContact CG-CH2 4.42Å; R195-W238 HydrophobicContact CG-CZ2 4.37Å; R195-W238 VanDerWaalsContact CZ-NE1 3.29Å; R195-I265 PolarHBondContact N-O 2.76Å; R195-I265 VanDerWaalsContact N-O 3.15Å; R195-I265 PolarHBondContact O-N 2.89Å
196	L	95.4	Very high	90.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.8	162.1	-79.8	163.3	0	0	0	108.5	M141 F208 D219 M220 E221 L264	M141-L196 HydrophobicContact CE-CG 4.03Å; M141-L196 HydrophobicContact CG-CD1 4.45Å; L196-F208 HydrophobicContact CD1-CE1 4.46Å; L196-F208 HydrophobicContact CD1-CZ 3.72Å; L196-D219 PolarHBondContact N-O 2.93Å; L196-M220 HydrophobicContact CB-CB 4.44Å; L196-M220 HydrophobicContact CB-CG 4.07Å; L196-M220 VanDerWaalsContact O-CA 3.3Å; L196-M220 WeakPolarHBondContact O-CA 3.33Å; L196-M220 WeakPolarHBondContact O-CG 2.98Å; L196-E221 PolarHBondContact O-N 3.22Å; L196-L264 HydrophobicContact CD2-CB 4.33Å; L196-L264 HydrophobicContact CD2-CD1 3.82Å; L196-L264 HydrophobicContact CG-CD1 4.22Å
197	F	97	Very high	91.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.1	168.4	-65.7	-89.2	0	0	0	109	R195 E221 L223 F225 I235 W238 L262 V263 I265	R195-F197 HydrophobicContact CB-CD2 4.42Å; R195-F197 HydrophobicContact CB-CE2 3.88Å; R195-F197 HydrophobicContact CB-CZ 4.29Å; R195-F197 HydrophobicContact CG-CD1 4.43Å; R195-F197 HydrophobicContact CG-CD2 3.98Å; R195-F197 HydrophobicContact CG-CE1 4.18Å; R195-F197 HydrophobicContact CG-CE2 3.66Å; R195-F197 HydrophobicContact CG-CG 4.37Å; R195-F197 HydrophobicContact CG-CZ 3.8Å; F197-E221 CarbonylContact C-O 3.51Å; F197-E221 VanDerWaalsContact CA-O 3.26Å; F197-E221 WeakPolarHBondContact CA-O 3.27Å; F197-E221 HydrophobicContact CD1-CB 3.86Å; F197-E221 HydrophobicContact CD1-CG 4.31Å; F197-E221 HydrophobicContact CE1-CB 3.99Å; F197-E221 HydrophobicContact CE1-CG 4.31Å; F197-E221 WeakPolarHBondContact CE1-OE2 3.22Å; F197-L223 HydrophobicContact CB-CD1 4.41Å; F197-L223 HydrophobicContact CD1-CD1 3.44Å; F197-L223 VanDerWaalsContact CD1-CD1 3.44Å; F197-L223 HydrophobicContact CD1-CG 3.92Å; F197-L223 HydrophobicContact CE1-CD1 3.94Å; F197-L223 HydrophobicContact CG-CD1 4.18Å; F197-F225 HydrophobicContact CB-CE1 4.43Å; F197-F225 HydrophobicContact CB-CZ 3.99Å; F197-I235 HydrophobicContact CB-CD1 4.39Å; F197-I235 HydrophobicContact CD1-CG1 4.04Å; F197-I235 HydrophobicContact CD2-CD1 4.12Å; F197-I235 HydrophobicContact CD2-CG1 3.96Å; F197-I235 HydrophobicContact CE1-CG1 3.95Å; F197-I235 HydrophobicContact CE2-CB 4.46Å; F197-I235 HydrophobicContact CE2-CG1 3.9Å; F197-I235 HydrophobicContact CE2-CG2 4.05Å; F197-I235 HydrophobicContact CG-CD1 4.09Å; F197-I235 HydrophobicContact CG-CG1 4.01Å; F197-I235 HydrophobicContact CZ-CB 4.44Å; F197-I235 HydrophobicContact CZ-CG1 3.87Å; F197-I235 HydrophobicContact CZ-CG2 4.42Å; F197-W238 HydrophobicContact CE2-CE3 4.2Å; F197-W238 HydrophobicContact CE2-CZ3 4.36Å; F197-W238 HydrophobicContact CZ-CD2 4.07Å; F197-W238 AromaticContact CZ-CE3 3.95Å; F197-W238 HydrophobicContact CZ-CE3 3.95Å; F197-W238 HydrophobicContact CZ-CG 4.38Å; F197-W238 HydrophobicContact CZ-CZ3 4.46Å; F197-L262 CarbonylContact O-C 3.48Å; F197-L262 VanDerWaalsContact O-CA 3.3Å; F197-L262 WeakPolarHBondContact O-CA 3.33Å; F197-V263 HydrophobicContact CB-CB 4.29Å; F197-V263 PolarHBondContact N-O 3.35Å; F197-V263 PolarHBondContact O-N 3.38Å; F197-I265 HydrophobicContact CD2-CB 4.34Å; F197-I265 HydrophobicContact CD2-CG1 3.66Å; F197-I265 HydrophobicContact CE2-CB 4.08Å; F197-I265 HydrophobicContact CE2-CG1 3.68Å
198	G	96.7	Very high	92.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	162	176.6	0	0	0	0	0	112.8	E221 L222 L223 F225 R261	G198-E221 PolarHBondContact N-O 2.89Å; G198-L222 CarbonylContact O-C 3.53Å; G198-L222 VanDerWaalsContact O-CA 3.28Å; G198-L222 WeakPolarHBondContact O-CA 3.46Å; G198-L223 PolarHBondContact O-N 2.99Å; G198-F225 VanDerWaalsContact C-CE2 3.41Å; G198-R261 CarbonylContact C-O 3.59Å; G198-R261 WeakPolarHBondContact CA-O 3.39Å
199	Q	96.1	Very high	92.7	Very high	25 Å²	25	46.6 Å²	46.6	12%	0.117	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	143.6	172.3	175.9	55.6	25.3	0	0	111.4	L202 L223 D224 F225 R261	Q199-L202 HydrophobicContact CB-CD1 4.22Å; Q199-L202 HydrophobicContact CB-CG 4.4Å; Q199-L202 WeakPolarHBondContact O-CD1 3.12Å; Q199-L202 WeakPolarHBondContact O-CG 3.3Å; Q199-L202 PolarHBondContact O-N 3.33Å; Q199-L223 CarbonylContact C-O 3.43Å; Q199-L223 WeakPolarHBondContact CA-O 3.27Å; Q199-L223 PolarHBondContact OE1-O 2.9Å; Q199-D224 PolarHBondContact NE2-OD1 2.91Å; Q199-D224 VanDerWaalsContact NE2-OD1 3.14Å; Q199-F225 HydrophobicContact CB-CD2 3.93Å; Q199-F225 HydrophobicContact CB-CE2 4.27Å; Q199-F225 VanDerWaalsContact N-CE2 3.35Å; Q199-F225 VanDerWaalsContact OE1-CD2 3.27Å; Q199-R261 PolarHBondContact N-O 2.95Å
200	L	94.6	Very high	93.3	Very high	78 Å²	78	50.8 Å²	50.8	41%	0.408	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	142.4	175.7	-166.9	71.1	0	0	0	111.5	L202 L223 D224	L200-L202 VanDerWaalsContact C-N 3.3Å; L200-L202 PolarHBondContact O-N 2.82Å; L200-L223 PolarHBondContact N-O 3.27Å; L200-D224 HydrophobicContact CB-CB 4.22Å; L200-D224 HydrophobicContact CD2-CB 4.17Å
201	K	91.5	Very high	93.9	Very high	187 Å²	187	51.3 Å²	51.3	81%	0.813	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	9.6	-179.8	-47	-175.4	179.3	-178.7	0	115.8	Q203	K201-Q203 PolarHBondContact O-N 3.43Å
202	L	92.6	Very high	94.4	Very high	29 Å²	29	49.9 Å²	49.9	15%	0.152	25%	0.248	C	C	.	.			trans	-60.7	132.3	165.2	-71.9	171.9	0	0	0	110.2	Q199 L200 V204 M220 L222 T403 L408	Q199-L202 HydrophobicContact CB-CD1 4.22Å; Q199-L202 HydrophobicContact CB-CG 4.4Å; Q199-L202 WeakPolarHBondContact O-CD1 3.12Å; Q199-L202 WeakPolarHBondContact O-CG 3.3Å; Q199-L202 PolarHBondContact O-N 3.33Å; L200-L202 VanDerWaalsContact C-N 3.3Å; L200-L202 PolarHBondContact O-N 2.82Å; L202-V204 HydrophobicContact CB-CG2 4.33Å; L202-V204 PolarHBondContact O-N 3.44Å; L202-M220 HydrophobicContact CD1-CE 4.41Å; L202-L222 HydrophobicContact CB-CD1 4.3Å; L202-L222 HydrophobicContact CB-CD2 4.1Å; L202-L222 HydrophobicContact CD1-CD2 4.29Å; L202-L222 WeakPolarHBondContact O-CD1 3.48Å; L202-T403 HydrophobicContact CD2-CG2 4.25Å; L202-L408 HydrophobicContact CD1-CD1 4.39Å; L202-L408 HydrophobicContact CD1-CD2 3.7Å; L202-L408 HydrophobicContact CD2-CD2 3.71Å; L202-L408 HydrophobicContact CD2-CG 4.41Å; L202-L408 HydrophobicContact CG-CD2 4.37Å
203	Q	94.4	Very high	94.7	Very high	149 Å²	149	52.3 Å²	52.3	70%	0.696	26%	0.258	S	S	*	.			trans	-85.1	91.5	172.1	-69.6	-179.6	-4.3	0	0	108.1	K201 T403	K201-Q203 PolarHBondContact O-N 3.43Å; Q203-T403 WeakPolarHBondContact O-CA 3.38Å
204	V	96.5	Very high	95	Very high	36 Å²	36	57.5 Å²	57.5	22%	0.218	28%	0.282	C	S	.	.			trans	-80.5	131	-179.4	-170.4	0	0	0	0	109.7	L202 F208 I209 M220 L222 I402	L202-V204 HydrophobicContact CB-CG2 4.33Å; L202-V204 PolarHBondContact O-N 3.44Å; V204-F208 HydrophobicContact CG1-CD1 3.76Å; V204-F208 HydrophobicContact CG1-CE1 4.45Å; V204-I209 HydrophobicContact CG1-CD1 3.72Å; V204-I209 HydrophobicContact CG1-CG1 3.76Å; V204-M220 HydrophobicContact CG1-SD 3.98Å; V204-M220 HydrophobicContact CG2-CE 4.24Å; V204-M220 HydrophobicContact CG2-SD 3.88Å; V204-L222 HydrophobicContact CG2-CD1 4.39Å; V204-L222 HydrophobicContact CG2-CD2 4.04Å; V204-I402 CarbonylContact C-O 3.5Å; V204-I402 WeakPolarHBondContact CA-O 3.32Å; V204-I402 HydrophobicContact CG1-CG2 4.04Å
205	L	97.6	Very high	95.1	Very high	55 Å²	55	58.7 Å²	58.7	29%	0.288	29%	0.287	S	S	.	.			trans	-67.1	130.6	178.8	-68.3	-180	0	0	0	110.6	E207 F208 I209 I402	L205-E207 PolarHBondContact O-N 3.11Å; L205-F208 HydrophobicContact CB-CB 4.48Å; L205-F208 WeakPolarHBondContact O-CB 3.31Å; L205-F208 PolarHBondContact O-N 2.91Å; L205-F208 VanDerWaalsContact O-N 3.15Å; L205-I209 PolarHBondContact O-N 2.89Å; L205-I402 PolarHBondContact N-O 3.04Å
206	P	97.1	Very high	94.9	Very high	89 Å²	89	57.1 Å²	57.1	58%	0.578	28%	0.281	S	S	*	.	H	α-helix	trans	-57	-35.5	177.7	-26.1	35.2	0	0	0	113.3	F208 I209 Q210	P206-F208 VanDerWaalsContact C-N 3.27Å; P206-F208 PolarHBondContact O-N 3.34Å; P206-I209 PolarHBondContact O-N 2.89Å; P206-Q210 WeakPolarHBondContact O-CB 3.39Å; P206-Q210 PolarHBondContact O-N 2.93Å
207	E	96.6	Very high	94.4	Very high	126 Å²	126	60.3 Å²	60.3	59%	0.589	30%	0.304	S	S	*	.	H	α-helix	trans	-63.3	-35.4	-179.2	-59.7	75.4	-163.8	0	0	111.6	L205 C211	L205-E207 PolarHBondContact O-N 3.11Å; E207-C211 VanDerWaalsContact O-CB 3.29Å; E207-C211 WeakPolarHBondContact O-CB 3.22Å; E207-C211 PolarHBondContact O-N 3Å; E207-C211 VanDerWaalsContact O-N 3.13Å
208	F	97.1	Very high	94	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.018	31%	0.306	C	S	.	.	H	α-helix	trans	-67.8	-49.5	175.5	171.3	-104.9	0	0	0	111.4	M141 V144 L196 V204 L205 P206 Q210 C211 I212 M220 K401 I402	M141-F208 WeakPolarHBondContact O-CE2 3.46Å; V144-F208 HydrophobicContact CB-CD2 4.47Å; V144-F208 HydrophobicContact CB-CE2 4.34Å; V144-F208 HydrophobicContact CG1-CD2 3.94Å; V144-F208 HydrophobicContact CG1-CE2 4.28Å; L196-F208 HydrophobicContact CD1-CE1 4.46Å; L196-F208 HydrophobicContact CD1-CZ 3.72Å; V204-F208 HydrophobicContact CG1-CD1 3.76Å; V204-F208 HydrophobicContact CG1-CE1 4.45Å; L205-F208 HydrophobicContact CB-CB 4.48Å; L205-F208 WeakPolarHBondContact O-CB 3.31Å; L205-F208 PolarHBondContact O-N 2.91Å; L205-F208 VanDerWaalsContact O-N 3.15Å; P206-F208 VanDerWaalsContact C-N 3.27Å; P206-F208 PolarHBondContact O-N 3.34Å; F208-Q210 VanDerWaalsContact C-N 3.35Å; F208-Q210 PolarHBondContact O-N 3.39Å; F208-C211 PolarHBondContact O-N 2.87Å; F208-I212 HydrophobicContact CD2-CG2 4.24Å; F208-I212 HydrophobicContact CE1-CD1 3.86Å; F208-I212 HydrophobicContact CE2-CG2 3.71Å; F208-I212 HydrophobicContact CZ-CD1 4.04Å; F208-I212 HydrophobicContact CZ-CG2 3.88Å; F208-I212 PolarHBondContact O-N 3.37Å; F208-M220 HydrophobicContact CD1-SD 4.48Å; F208-M220 HydrophobicContact CE1-CB 4.46Å; F208-M220 HydrophobicContact CE1-SD 3.82Å; F208-K401 WeakPolarHBondContact CB-O 3.2Å; F208-I402 HydrophobicContact CD1-CG1 4.36Å; F208-I402 HydrophobicContact CD1-CG2 4.09Å; F208-I402 HydrophobicContact CD2-CG1 4.08Å; F208-I402 HydrophobicContact CE1-CD1 4.45Å; F208-I402 HydrophobicContact CE1-CG1 4.22Å; F208-I402 HydrophobicContact CE1-CG2 4.12Å; F208-I402 HydrophobicContact CE2-CD1 4.34Å; F208-I402 HydrophobicContact CE2-CG1 3.95Å; F208-I402 HydrophobicContact CG-CG1 4.29Å; F208-I402 HydrophobicContact CZ-CD1 4.08Å; F208-I402 HydrophobicContact CZ-CG1 4.02Å
209	I	96.5	Very high	93.6	Very high	36 Å²	36	63.2 Å²	63.2	19%	0.185	32%	0.32	C	S	.	.	H	α-helix	trans	-58.3	-48.4	178.7	-65	-60.8	0	0	0	110.6	V204 L205 P206 C211 I212 Q213 M220	V204-I209 HydrophobicContact CG1-CD1 3.72Å; V204-I209 HydrophobicContact CG1-CG1 3.76Å; L205-I209 PolarHBondContact O-N 2.89Å; P206-I209 PolarHBondContact O-N 2.89Å; I209-C211 VanDerWaalsContact C-N 3.31Å; I209-C211 PolarHBondContact O-N 3.1Å; I209-I212 HydrophobicContact CD1-CD1 4.42Å; I209-I212 VanDerWaalsContact O-CG1 3.3Å; I209-I212 WeakPolarHBondContact O-CG1 3.43Å; I209-I212 PolarHBondContact O-N 3.38Å; I209-Q213 HydrophobicContact CG2-CG 4.24Å; I209-Q213 VanDerWaalsContact CG2-NE2 3.3Å; I209-Q213 WeakPolarHBondContact O-CB 3.44Å; I209-Q213 VanDerWaalsContact O-CG 3.25Å; I209-Q213 WeakPolarHBondContact O-CG 3.42Å; I209-Q213 PolarHBondContact O-N 3.41Å; I209-M220 HydrophobicContact CD1-CB 3.71Å
210	Q	96.3	Very high	93.6	Very high	120 Å²	120	62.9 Å²	62.9	56%	0.561	32%	0.318	S	S	*	.	H	α-helix	trans	-56.6	-47	178.2	-177.1	-179.8	-4	0	0	111.1	P206 F208 Q213 E214	P206-Q210 WeakPolarHBondContact O-CB 3.39Å; P206-Q210 PolarHBondContact O-N 2.93Å; F208-Q210 VanDerWaalsContact C-N 3.35Å; F208-Q210 PolarHBondContact O-N 3.39Å; Q210-Q213 PolarHBondContact O-N 2.99Å; Q210-E214 VanDerWaalsContact O-CB 3.27Å; Q210-E214 WeakPolarHBondContact O-CB 3.43Å; Q210-E214 PolarHBondContact O-N 2.86Å
211	C	95.8	Very high	93.6	Very high	23 Å²	23	61.4 Å²	61.4	16%	0.155	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-43.3	-177.6	-170	0	0	0	0	112.7	V144 N169 E207 F208 I209 H215	V144-C211 HydrophobicContact CG1-CB 3.75Å; V144-C211 WeakPolarHBondContact CG1-SG 3.28Å; N169-C211 PolarHBondContact ND2-SG 2.76Å; E207-C211 VanDerWaalsContact O-CB 3.29Å; E207-C211 WeakPolarHBondContact O-CB 3.22Å; E207-C211 PolarHBondContact O-N 3Å; E207-C211 VanDerWaalsContact O-N 3.13Å; F208-C211 PolarHBondContact O-N 2.87Å; I209-C211 VanDerWaalsContact C-N 3.31Å; I209-C211 PolarHBondContact O-N 3.1Å; C211-H215 PolarHBondContact O-CD2 2.93Å; C211-H215 PolarHBondContact O-N 2.67Å
212	I	94.8	Very high	93.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-71.8	-32.8	179	66.6	170.4	0	0	0	112.6	M141 V144 F208 I209 Y216 S217 A218 M220	M141-I212 HydrophobicContact CB-CB 4.29Å; M141-I212 HydrophobicContact CB-CG2 3.83Å; V144-I212 HydrophobicContact CB-CG2 4.35Å; V144-I212 HydrophobicContact CG1-CG2 4.34Å; F208-I212 HydrophobicContact CD2-CG2 4.24Å; F208-I212 HydrophobicContact CE1-CD1 3.86Å; F208-I212 HydrophobicContact CE2-CG2 3.71Å; F208-I212 HydrophobicContact CZ-CD1 4.04Å; F208-I212 HydrophobicContact CZ-CG2 3.88Å; F208-I212 PolarHBondContact O-N 3.37Å; I209-I212 HydrophobicContact CD1-CD1 4.42Å; I209-I212 VanDerWaalsContact O-CG1 3.3Å; I209-I212 WeakPolarHBondContact O-CG1 3.43Å; I209-I212 PolarHBondContact O-N 3.38Å; I212-Y216 CarbonylContact O-C 3.49Å; I212-Y216 WeakPolarHBondContact O-CA 3.31Å; I212-Y216 WeakPolarHBondContact O-CB 3.31Å; I212-Y216 PolarHBondContact O-N 2.93Å; I212-S217 PolarHBondContact O-N 3.18Å; I212-A218 CarbonylContact C-O 3.24Å; I212-A218 PolarHBondContact O-N 3.48Å; I212-M220 HydrophobicContact CD1-CB 4.29Å
213	Q	93	Very high	94.1	Very high	93 Å²	93	54.7 Å²	54.7	44%	0.435	28%	0.282	S	S	.	.	H	α-helix	trans	-68.1	-45.9	175.1	-73.2	176	-10.1	0	0	110.9	I209 Q210 S217 A218 D219	I209-Q213 HydrophobicContact CG2-CG 4.24Å; I209-Q213 VanDerWaalsContact CG2-NE2 3.3Å; I209-Q213 WeakPolarHBondContact O-CB 3.44Å; I209-Q213 VanDerWaalsContact O-CG 3.25Å; I209-Q213 WeakPolarHBondContact O-CG 3.42Å; I209-Q213 PolarHBondContact O-N 3.41Å; Q210-Q213 PolarHBondContact O-N 2.99Å; Q213-S217 PolarHBondContact O-N 3.37Å; Q213-A218 WeakPolarHBondContact CA-O 3.48Å; Q213-A218 VanDerWaalsContact CG-O 3.28Å; Q213-A218 WeakPolarHBondContact CG-O 3.33Å; Q213-A218 PolarHBondContact N-O 2.91Å; Q213-D219 PolarHBondContact NE2-OD1 3.34Å
214	E	91.9	Very high	94.3	Very high	110 Å²	110	50 Å²	50	51%	0.514	26%	0.262	S	S	.	.	H	α-helix	trans	-70	-44.5	-177	-174.1	175.1	171.1	0	0	113.1	Q210	Q210-E214 VanDerWaalsContact O-CB 3.27Å; Q210-E214 WeakPolarHBondContact O-CB 3.43Å; Q210-E214 PolarHBondContact O-N 2.86Å
215	H	90.9	Very high	94.2	Very high	38 Å²	38	48.3 Å²	48.3	18%	0.176	25%	0.252	C	S	.	.	H	α-helix	trans	-101.9	-23.8	-171.1	-58.1	-57.8	0	0	0	114.6	N169 S173 C211	N169-H215 HydrophobicContact CB-CB 4.27Å; S173-H215 WeakPolarHBondContact CA-O 3.19Å; S173-H215 PolarHBondContact N-O 3.42Å; C211-H215 PolarHBondContact O-CD2 2.93Å; C211-H215 PolarHBondContact O-N 2.67Å
216	Y	89.7	Confident	94.1	Very high	1 Å²	1	53 Å²	53	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-117.3	-2.1	-174.3	-61.1	-95.3	0	0	0	113	V137 G140 M141 V144 N169 M172 I212 A218	V137-Y216 HydrophobicContact CG1-CD1 4.15Å; G140-Y216 VanDerWaalsContact C-CE1 3.44Å; M141-Y216 HydrophobicContact CB-CD1 4.25Å; M141-Y216 HydrophobicContact CB-CD2 4.43Å; M141-Y216 HydrophobicContact CB-CG 4.03Å; V144-Y216 HydrophobicContact CG2-CD2 4.42Å; V144-Y216 HydrophobicContact CG2-CE2 3.57Å; N169-Y216 WeakPolarHBondContact OD1-CE2 3.12Å; N169-Y216 PolarHBondContact OD1-OH 2.94Å; M172-Y216 HydrophobicContact CB-CD1 4.23Å; M172-Y216 HydrophobicContact CB-CE1 3.6Å; M172-Y216 HydrophobicContact CE-CE1 4.1Å; M172-Y216 HydrophobicContact CG-CE1 3.74Å; I212-Y216 CarbonylContact O-C 3.49Å; I212-Y216 WeakPolarHBondContact O-CA 3.31Å; I212-Y216 WeakPolarHBondContact O-CB 3.31Å; I212-Y216 PolarHBondContact O-N 2.93Å; Y216-A218 PolarHBondContact O-N 2.94Å; Y216-A218 VanDerWaalsContact O-N 3.12Å
217	S	86.6	Confident	94	Very high	67 Å²	67	53.6 Å²	53.6	47%	0.469	26%	0.263	S	S	.	.	S	Bend	trans	50.4	33.3	-173	-57.6	0	0	0	0	112	I212 Q213	I212-S217 PolarHBondContact O-N 3.18Å; Q213-S217 PolarHBondContact O-N 3.37Å
218	A	88.2	Confident	93.9	Very high	5 Å²	5	48.2 Å²	48.2	4%	0.041	24%	0.242	C	C	.	.			trans	-117.2	165.4	-174.5	0	0	0	0	0	110.3	M141 I212 Q213 Y216	M141-A218 HydrophobicContact SD-CB 3.55Å; M141-A218 VanDerWaalsContact SD-CB 3.55Å; I212-A218 CarbonylContact C-O 3.24Å; I212-A218 PolarHBondContact O-N 3.48Å; Q213-A218 WeakPolarHBondContact CA-O 3.48Å; Q213-A218 VanDerWaalsContact CG-O 3.28Å; Q213-A218 WeakPolarHBondContact CG-O 3.33Å; Q213-A218 PolarHBondContact N-O 2.91Å; Y216-A218 PolarHBondContact O-N 2.94Å; Y216-A218 VanDerWaalsContact O-N 3.12Å
219	D	88.3	Confident	93.8	Very high	56 Å²	56	54 Å²	54	30%	0.299	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	166.1	-180	-161.6	14.8	0	0	0	109.6	R195 L196 Q213	R195-D219 WeakPolarHBondContact CG-O 3.04Å; R195-D219 IonicContact NH2-OD2 2.68Å; L196-D219 PolarHBondContact N-O 2.93Å; Q213-D219 PolarHBondContact NE2-OD1 3.34Å
220	M	94.5	Very high	93.8	Very high	18 Å²	18	58 Å²	58	9%	0.089	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.5	174.2	-174	176.4	-177.8	0	0	110.2	L196 L202 V204 F208 I209 I212 L222 L262 I402	L196-M220 HydrophobicContact CB-CB 4.44Å; L196-M220 HydrophobicContact CB-CG 4.07Å; L196-M220 VanDerWaalsContact O-CA 3.3Å; L196-M220 WeakPolarHBondContact O-CA 3.33Å; L196-M220 WeakPolarHBondContact O-CG 2.98Å; L202-M220 HydrophobicContact CD1-CE 4.41Å; V204-M220 HydrophobicContact CG1-SD 3.98Å; V204-M220 HydrophobicContact CG2-CE 4.24Å; V204-M220 HydrophobicContact CG2-SD 3.88Å; F208-M220 HydrophobicContact CD1-SD 4.48Å; F208-M220 HydrophobicContact CE1-CB 4.46Å; F208-M220 HydrophobicContact CE1-SD 3.82Å; I209-M220 HydrophobicContact CD1-CB 3.71Å; I212-M220 HydrophobicContact CD1-CB 4.29Å; M220-L222 HydrophobicContact CE-CD2 3.94Å; M220-L262 HydrophobicContact CE-CD2 3.42Å; M220-L262 VanDerWaalsContact CE-CD2 3.42Å; M220-I402 HydrophobicContact CE-CG2 4.21Å; M220-I402 HydrophobicContact SD-CG2 3.99Å
221	E	96.5	Very high	93.8	Very high	48 Å²	48	52.5 Å²	52.5	22%	0.224	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.9	177.3	-176.2	172.2	-175.4	0	0	110.5	R195 L196 F197 G198 L223 H234	R195-E221 IonicContact CZ-OE2 2.7Å; R195-E221 IonicContact NH1-OE2 2.67Å; R195-E221 PolarHBondContact NH1-OE2 2.83Å; L196-E221 PolarHBondContact O-N 3.22Å; F197-E221 CarbonylContact C-O 3.51Å; F197-E221 VanDerWaalsContact CA-O 3.26Å; F197-E221 WeakPolarHBondContact CA-O 3.27Å; F197-E221 HydrophobicContact CD1-CB 3.86Å; F197-E221 HydrophobicContact CD1-CG 4.31Å; F197-E221 HydrophobicContact CE1-CB 3.99Å; F197-E221 HydrophobicContact CE1-CG 4.31Å; F197-E221 WeakPolarHBondContact CE1-OE2 3.22Å; G198-E221 PolarHBondContact N-O 2.89Å; E221-L223 HydrophobicContact CG-CD2 4.23Å; E221-H234 IonicContact OE1-CD2 2.72Å; E221-H234 IonicContact OE1-CE1 3.48Å; E221-H234 PolarHBondContact OE1-CE1 3.49Å; E221-H234 IonicContact OE1-NE2 2.75Å; E221-H234 PolarHBondContact OE1-NE2 3.24Å; E221-H234 IonicContact OE2-NE2 3.98Å; E221-H234 PolarHBondContact OE2-NE2 3.32Å
222	L	97.2	Very high	93.8	Very high	56 Å²	56	51.5 Å²	51.5	29%	0.293	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.3	179.3	-56	-176	0	0	0	110.6	G198 L202 V204 M220	G198-L222 CarbonylContact O-C 3.53Å; G198-L222 VanDerWaalsContact O-CA 3.28Å; G198-L222 WeakPolarHBondContact O-CA 3.46Å; L202-L222 HydrophobicContact CB-CD1 4.3Å; L202-L222 HydrophobicContact CB-CD2 4.1Å; L202-L222 HydrophobicContact CD1-CD2 4.29Å; L202-L222 WeakPolarHBondContact O-CD1 3.48Å; V204-L222 HydrophobicContact CG2-CD1 4.39Å; V204-L222 HydrophobicContact CG2-CD2 4.04Å; M220-L222 HydrophobicContact CE-CD2 3.94Å
223	L	97	Very high	93.9	Very high	19 Å²	19	57.6 Å²	57.6	10%	0.099	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	152.6	-179.4	-59.4	178.6	0	0	0	110.9	F197 G198 Q199 L200 E221 F225 A231 I235	F197-L223 HydrophobicContact CB-CD1 4.41Å; F197-L223 HydrophobicContact CD1-CD1 3.44Å; F197-L223 VanDerWaalsContact CD1-CD1 3.44Å; F197-L223 HydrophobicContact CD1-CG 3.92Å; F197-L223 HydrophobicContact CE1-CD1 3.94Å; F197-L223 HydrophobicContact CG-CD1 4.18Å; G198-L223 PolarHBondContact O-N 2.99Å; Q199-L223 CarbonylContact C-O 3.43Å; Q199-L223 WeakPolarHBondContact CA-O 3.27Å; Q199-L223 PolarHBondContact OE1-O 2.9Å; L200-L223 PolarHBondContact N-O 3.27Å; E221-L223 HydrophobicContact CG-CD2 4.23Å; L223-F225 HydrophobicContact CB-CD1 4.24Å; L223-F225 HydrophobicContact CB-CE1 3.91Å; L223-F225 HydrophobicContact CD1-CE1 4.33Å; L223-F225 PolarHBondContact O-N 3.29Å; L223-A231 HydrophobicContact CB-CB 4.34Å; L223-A231 HydrophobicContact CD1-CB 4.34Å; L223-I235 HydrophobicContact CD1-CD1 4.07Å; L223-I235 HydrophobicContact CD1-CG1 3.77Å
224	D	97.1	Very high	94.1	Very high	51 Å²	51	56.8 Å²	56.8	27%	0.273	28%	0.281	S	S	.	.			trans	-83	94.1	173.2	-169.5	7.8	0	0	0	111.3	Q199 L200 K226 K227	Q199-D224 PolarHBondContact NE2-OD1 2.91Å; Q199-D224 VanDerWaalsContact NE2-OD1 3.14Å; L200-D224 HydrophobicContact CB-CB 4.22Å; L200-D224 HydrophobicContact CD2-CB 4.17Å; D224-K226 PolarHBondContact O-N 2.9Å; D224-K226 VanDerWaalsContact OD1-CB 3.31Å; D224-K226 WeakPolarHBondContact OD1-CB 3.25Å; D224-K226 PolarHBondContact OD1-N 2.88Å; D224-K226 VanDerWaalsContact OD1-N 3.16Å; D224-K227 WeakPolarHBondContact O-CA 3.22Å; D224-K227 WeakPolarHBondContact O-CB 3.14Å; D224-K227 PolarHBondContact O-N 3.4Å
225	F	96.3	Very high	94.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.2	178.5	-57	-43	0	0	0	114	F197 G198 Q199 L223 K227 G228 A231 I256 T260 V263	F197-F225 HydrophobicContact CB-CE1 4.43Å; F197-F225 HydrophobicContact CB-CZ 3.99Å; G198-F225 VanDerWaalsContact C-CE2 3.41Å; Q199-F225 HydrophobicContact CB-CD2 3.93Å; Q199-F225 HydrophobicContact CB-CE2 4.27Å; Q199-F225 VanDerWaalsContact N-CE2 3.35Å; Q199-F225 VanDerWaalsContact OE1-CD2 3.27Å; L223-F225 HydrophobicContact CB-CD1 4.24Å; L223-F225 HydrophobicContact CB-CE1 3.91Å; L223-F225 HydrophobicContact CD1-CE1 4.33Å; L223-F225 PolarHBondContact O-N 3.29Å; F225-K227 PolarHBondContact O-N 3.36Å; F225-G228 PolarHBondContact O-N 2.8Å; F225-A231 HydrophobicContact CD1-CB 3.91Å; F225-A231 HydrophobicContact CE1-CB 4.4Å; F225-I256 HydrophobicContact CB-CG2 3.75Å; F225-I256 HydrophobicContact CD1-CG2 3.53Å; F225-I256 HydrophobicContact CE1-CG2 4.38Å; F225-I256 HydrophobicContact CG-CG2 3.91Å; F225-T260 HydrophobicContact CB-CG2 4.48Å; F225-T260 HydrophobicContact CD1-CG2 4.39Å; F225-T260 HydrophobicContact CD2-CG2 3.54Å; F225-T260 WeakPolarHBondContact CD2-O 3.5Å; F225-T260 HydrophobicContact CE1-CG2 4.5Å; F225-T260 HydrophobicContact CE2-CG2 3.66Å; F225-T260 HydrophobicContact CG-CG2 3.91Å; F225-T260 HydrophobicContact CZ-CG2 4.15Å; F225-V263 HydrophobicContact CE1-CG2 4.23Å; F225-V263 HydrophobicContact CE2-CG2 4.38Å; F225-V263 HydrophobicContact CZ-CG2 3.84Å
226	K	94.7	Very high	94.6	Very high	154 Å²	154	50.4 Å²	50.4	67%	0.67	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.2	165.7	-62.8	-176.7	178.4	-175.5	0	111.3	D224 G228	D224-K226 PolarHBondContact O-N 2.9Å; D224-K226 VanDerWaalsContact OD1-CB 3.31Å; D224-K226 WeakPolarHBondContact OD1-CB 3.25Å; D224-K226 PolarHBondContact OD1-N 2.88Å; D224-K226 VanDerWaalsContact OD1-N 3.16Å; K226-G228 PolarHBondContact O-N 2.93Å
227	K	95.6	Very high	94.9	Very high	101 Å²	101	53.9 Å²	53.9	44%	0.439	27%	0.27	S	S	.	.	S	Bend	trans	-98.7	62.8	172	-57.2	-166	177.7	-167.2	0	110.9	D224 F225 L229 E230 A231	D224-K227 WeakPolarHBondContact O-CA 3.22Å; D224-K227 WeakPolarHBondContact O-CB 3.14Å; D224-K227 PolarHBondContact O-N 3.4Å; F225-K227 PolarHBondContact O-N 3.36Å; K227-L229 VanDerWaalsContact C-N 3.32Å; K227-L229 PolarHBondContact O-N 2.88Å; K227-E230 HydrophobicContact CB-CB 4.16Å; K227-E230 HydrophobicContact CB-CG 4.42Å; K227-E230 VanDerWaalsContact CD-CD 3.46Å; K227-E230 WeakPolarHBondContact CD-OE2 3.47Å; K227-E230 IonicContact NZ-OE1 2.95Å; K227-E230 PolarHBondContact NZ-OE1 3.5Å; K227-E230 IonicContact NZ-OE2 3.03Å; K227-E230 PolarHBondContact NZ-OE2 3.42Å; K227-E230 VanDerWaalsContact NZ-OE2 3.09Å; K227-E230 PolarHBondContact O-N 2.88Å; K227-E230 VanDerWaalsContact O-N 3.07Å; K227-A231 PolarHBondContact O-N 3.02Å
228	G	94.7	Very high	95.4	Very high	13 Å²	13	52.1 Å²	52.1	13%	0.134	25%	0.253	C	S	.	.	H	α-helix	trans	-51	-43.4	-170.6	0	0	0	0	0	115	F225 K226 A231 C232	F225-G228 PolarHBondContact O-N 2.8Å; K226-G228 PolarHBondContact O-N 2.93Å; G228-A231 PolarHBondContact O-N 3.37Å; G228-C232 WeakPolarHBondContact O-CB 3.43Å; G228-C232 PolarHBondContact O-N 3.46Å
229	L	94.6	Very high	95.7	Very high	125 Å²	125	51.9 Å²	51.9	65%	0.654	25%	0.251	S	S	*	.	H	α-helix	trans	-64.7	-43.8	178.4	-70.7	171.4	0	0	0	112.9	K227 C232 K233 Q253	K227-L229 VanDerWaalsContact C-N 3.32Å; K227-L229 PolarHBondContact O-N 2.88Å; L229-C232 PolarHBondContact O-N 2.88Å; L229-K233 WeakPolarHBondContact O-CB 2.9Å; L229-K233 PolarHBondContact O-N 3.23Å; L229-Q253 HydrophobicContact CD2-CB 4.29Å
230	E	96.2	Very high	96	Very high	120 Å²	120	52 Å²	52	56%	0.561	25%	0.25	S	S	*	.	H	α-helix	trans	-64.9	-45.5	177.7	-68.2	177.7	-155.3	0	0	110.5	K227 C232 K233 H234	K227-E230 HydrophobicContact CB-CB 4.16Å; K227-E230 HydrophobicContact CB-CG 4.42Å; K227-E230 VanDerWaalsContact CD-CD 3.46Å; K227-E230 WeakPolarHBondContact CD-OE2 3.47Å; K227-E230 IonicContact NZ-OE1 2.95Å; K227-E230 PolarHBondContact NZ-OE1 3.5Å; K227-E230 IonicContact NZ-OE2 3.03Å; K227-E230 PolarHBondContact NZ-OE2 3.42Å; K227-E230 VanDerWaalsContact NZ-OE2 3.09Å; K227-E230 PolarHBondContact O-N 2.88Å; K227-E230 VanDerWaalsContact O-N 3.07Å; E230-C232 PolarHBondContact O-N 3.43Å; E230-K233 PolarHBondContact O-N 3.29Å; E230-H234 WeakPolarHBondContact O-CB 3.07Å; E230-H234 PolarHBondContact O-N 2.65Å
231	A	96.5	Very high	96.1	Very high	4 Å²	4	59.2 Å²	59.2	3%	0.033	28%	0.281	C	S	.	.	H	α-helix	trans	-63.3	-41.5	177.2	0	0	0	0	0	111.9	L223 F225 K227 G228 H234 I235 I256	L223-A231 HydrophobicContact CB-CB 4.34Å; L223-A231 HydrophobicContact CD1-CB 4.34Å; F225-A231 HydrophobicContact CD1-CB 3.91Å; F225-A231 HydrophobicContact CE1-CB 4.4Å; K227-A231 PolarHBondContact O-N 3.02Å; G228-A231 PolarHBondContact O-N 3.37Å; A231-H234 PolarHBondContact O-N 2.92Å; A231-I235 WeakPolarHBondContact O-CG1 3.48Å; A231-I235 PolarHBondContact O-N 2.93Å; A231-I256 HydrophobicContact CB-CG2 4.28Å
232	C	95.7	Very high	95.8	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.02	29%	0.291	C	S	.	.	H	α-helix	trans	-60.5	-49.1	177	-176	0	0	0	0	111.5	G228 L229 E230 H234 I235 N236 I251 P252 I256	G228-C232 WeakPolarHBondContact O-CB 3.43Å; G228-C232 PolarHBondContact O-N 3.46Å; L229-C232 PolarHBondContact O-N 2.88Å; E230-C232 PolarHBondContact O-N 3.43Å; C232-H234 VanDerWaalsContact C-N 3.34Å; C232-H234 PolarHBondContact O-N 2.68Å; C232-I235 PolarHBondContact O-N 2.78Å; C232-N236 PolarHBondContact O-N 2.66Å; C232-I251 HydrophobicContact CB-CD1 4.21Å; C232-P252 PolarHBondContact SG-O 3.34Å; C232-I256 HydrophobicContact CB-CG1 4.32Å
233	K	96.3	Very high	95.3	Very high	128 Å²	128	59 Å²	59	56%	0.557	28%	0.277	S	S	*	.	H	α-helix	trans	-59.5	-45.4	177.2	-176.3	179.2	-178.8	-63.9	0	111.3	L229 E230 I235 N236 D237	L229-K233 WeakPolarHBondContact O-CB 2.9Å; L229-K233 PolarHBondContact O-N 3.23Å; E230-K233 PolarHBondContact O-N 3.29Å; K233-I235 PolarHBondContact O-N 3.48Å; K233-N236 PolarHBondContact O-N 2.69Å; K233-D237 IonicContact NZ-OD1 3.09Å; K233-D237 IonicContact NZ-OD2 3.55Å; K233-D237 PolarHBondContact NZ-OD2 3.05Å; K233-D237 WeakPolarHBondContact O-CB 3.29Å; K233-D237 PolarHBondContact O-N 3.22Å
234	H	97.4	Very high	94.9	Very high	75 Å²	75	64.7 Å²	64.7	35%	0.347	30%	0.301	S	S	.	.	H	α-helix	trans	-59.7	-44	179.1	-175.8	88.5	0	0	0	112.9	E221 E230 A231 C232 W238	E221-H234 IonicContact OE1-CD2 2.72Å; E221-H234 IonicContact OE1-CE1 3.48Å; E221-H234 PolarHBondContact OE1-CE1 3.49Å; E221-H234 IonicContact OE1-NE2 2.75Å; E221-H234 PolarHBondContact OE1-NE2 3.24Å; E221-H234 IonicContact OE2-NE2 3.98Å; E221-H234 PolarHBondContact OE2-NE2 3.32Å; E230-H234 WeakPolarHBondContact O-CB 3.07Å; E230-H234 PolarHBondContact O-N 2.65Å; A231-H234 PolarHBondContact O-N 2.92Å; C232-H234 VanDerWaalsContact C-N 3.34Å; C232-H234 PolarHBondContact O-N 2.68Å; H234-W238 VanDerWaalsContact O-CB 3.3Å; H234-W238 WeakPolarHBondContact O-CB 3.37Å; H234-W238 PolarHBondContact O-N 2.79Å
235	I	96.4	Very high	94.5	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-46.2	177.4	-67	167.7	0	0	0	110.5	F197 L223 A231 C232 K233 W238 V239 I251 I256 I265	F197-I235 HydrophobicContact CB-CD1 4.39Å; F197-I235 HydrophobicContact CD1-CG1 4.04Å; F197-I235 HydrophobicContact CD2-CD1 4.12Å; F197-I235 HydrophobicContact CD2-CG1 3.96Å; F197-I235 HydrophobicContact CE1-CG1 3.95Å; F197-I235 HydrophobicContact CE2-CB 4.46Å; F197-I235 HydrophobicContact CE2-CG1 3.9Å; F197-I235 HydrophobicContact CE2-CG2 4.05Å; F197-I235 HydrophobicContact CG-CD1 4.09Å; F197-I235 HydrophobicContact CG-CG1 4.01Å; F197-I235 HydrophobicContact CZ-CB 4.44Å; F197-I235 HydrophobicContact CZ-CG1 3.87Å; F197-I235 HydrophobicContact CZ-CG2 4.42Å; L223-I235 HydrophobicContact CD1-CD1 4.07Å; L223-I235 HydrophobicContact CD1-CG1 3.77Å; A231-I235 WeakPolarHBondContact O-CG1 3.48Å; A231-I235 PolarHBondContact O-N 2.93Å; C232-I235 PolarHBondContact O-N 2.78Å; K233-I235 PolarHBondContact O-N 3.48Å; I235-W238 PolarHBondContact O-N 2.79Å; I235-V239 HydrophobicContact CG2-CG2 4.48Å; I235-V239 WeakPolarHBondContact O-CG2 3.47Å; I235-V239 PolarHBondContact O-N 2.5Å; I235-I251 HydrophobicContact CB-CD1 3.81Å; I235-I251 HydrophobicContact CD1-CD1 3.85Å; I235-I251 HydrophobicContact CG1-CD1 4.42Å; I235-I251 HydrophobicContact CG2-CD1 3.8Å; I235-I251 HydrophobicContact CG2-CG1 4.25Å; I235-I256 HydrophobicContact CD1-CD1 4.38Å; I235-I265 HydrophobicContact CG2-CD1 3.79Å; I235-I265 HydrophobicContact CG2-CG1 3.79Å
236	N	96.6	Very high	94.1	Very high	14 Å²	14	67.9 Å²	67.9	8%	0.075	32%	0.32	C	S	.	.	H	α-helix	trans	-63.1	-45.2	178.4	-78.4	-22.7	0	0	0	112	C232 K233 W238 V239 E240 L250 I251	C232-N236 PolarHBondContact O-N 2.66Å; K233-N236 PolarHBondContact O-N 2.69Å; N236-W238 VanDerWaalsContact C-N 3.27Å; N236-W238 PolarHBondContact O-N 3.32Å; N236-V239 PolarHBondContact O-N 2.7Å; N236-E240 WeakPolarHBondContact O-CB 3.22Å; N236-E240 PolarHBondContact O-N 3.37Å; N236-L250 PolarHBondContact OD1-N 2.99Å; N236-I251 PolarHBondContact ND2-O 2.81Å; N236-I251 WeakPolarHBondContact OD1-CG1 3.47Å; N236-I251 PolarHBondContact OD1-N 2.49Å
237	D	97.2	Very high	93.8	Very high	74 Å²	74	60.6 Å²	60.6	40%	0.396	29%	0.288	S	S	.	.	H	α-helix	trans	-59.6	-39.6	175.9	-69.7	-12.4	0	0	0	110.9	K233 K241	K233-D237 IonicContact NZ-OD1 3.09Å; K233-D237 IonicContact NZ-OD2 3.55Å; K233-D237 PolarHBondContact NZ-OD2 3.05Å; K233-D237 WeakPolarHBondContact O-CB 3.29Å; K233-D237 PolarHBondContact O-N 3.22Å; D237-K241 WeakPolarHBondContact O-CB 3.5Å; D237-K241 PolarHBondContact O-N 3.36Å
238	W	96.3	Very high	93.7	Very high	30 Å²	30	60.4 Å²	60.4	11%	0.114	29%	0.288	C	S	.	.	H	α-helix	trans	-66.3	-45.4	176.4	176.2	89.8	0	0	0	112.3	A193 R195 F197 H234 I235 N236 K241 K242 I265	A193-W238 HydrophobicContact CB-CH2 3.88Å; A193-W238 HydrophobicContact CB-CZ3 3.83Å; R195-W238 HydrophobicContact CB-CH2 3.34Å; R195-W238 HydrophobicContact CB-CZ2 3.66Å; R195-W238 HydrophobicContact CB-CZ3 3.93Å; R195-W238 HydrophobicContact CG-CH2 4.42Å; R195-W238 HydrophobicContact CG-CZ2 4.37Å; R195-W238 VanDerWaalsContact CZ-NE1 3.29Å; F197-W238 HydrophobicContact CE2-CE3 4.2Å; F197-W238 HydrophobicContact CE2-CZ3 4.36Å; F197-W238 HydrophobicContact CZ-CD2 4.07Å; F197-W238 AromaticContact CZ-CE3 3.95Å; F197-W238 HydrophobicContact CZ-CE3 3.95Å; F197-W238 HydrophobicContact CZ-CG 4.38Å; F197-W238 HydrophobicContact CZ-CZ3 4.46Å; H234-W238 VanDerWaalsContact O-CB 3.3Å; H234-W238 WeakPolarHBondContact O-CB 3.37Å; H234-W238 PolarHBondContact O-N 2.79Å; I235-W238 PolarHBondContact O-N 2.79Å; N236-W238 VanDerWaalsContact C-N 3.27Å; N236-W238 PolarHBondContact O-N 3.32Å; W238-K241 PolarHBondContact O-N 2.97Å; W238-K242 HydrophobicContact CD2-CG 4.05Å; W238-K242 HydrophobicContact CG-CG 4.48Å; W238-K242 HydrophobicContact CH2-CG 4.41Å; W238-K242 HydrophobicContact CZ2-CD 4.44Å; W238-K242 HydrophobicContact CZ2-CG 3.86Å; W238-K242 WeakPolarHBondContact O-CB 3.36Å; W238-K242 VanDerWaalsContact O-CG 3.3Å; W238-K242 WeakPolarHBondContact O-CG 3.28Å; W238-K242 PolarHBondContact O-N 2.91Å; W238-I265 HydrophobicContact CZ3-CG2 3.85Å
239	V	94.6	Very high	93.5	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.4	-46.7	176.4	171.4	0	0	0	0	110.4	I235 N236 K241 K242 T243 I247 L250 I265 A267	I235-V239 HydrophobicContact CG2-CG2 4.48Å; I235-V239 WeakPolarHBondContact O-CG2 3.47Å; I235-V239 PolarHBondContact O-N 2.5Å; N236-V239 PolarHBondContact O-N 2.7Å; V239-K241 VanDerWaalsContact C-N 3.33Å; V239-K241 PolarHBondContact O-N 3.21Å; V239-K242 PolarHBondContact O-N 3.33Å; V239-T243 HydrophobicContact CG1-CG2 4.31Å; V239-T243 WeakPolarHBondContact O-CB 3.26Å; V239-T243 WeakPolarHBondContact O-CG2 2.9Å; V239-T243 PolarHBondContact O-N 3.17Å; V239-T243 PolarHBondContact O-OG1 3.39Å; V239-I247 HydrophobicContact CG1-CB 4.05Å; V239-I247 HydrophobicContact CG1-CG2 3.75Å; V239-L250 HydrophobicContact CG1-CB 4.27Å; V239-L250 HydrophobicContact CG1-CD2 4.33Å; V239-L250 HydrophobicContact CG2-CB 4.4Å; V239-L250 HydrophobicContact CG2-CD2 3.65Å; V239-I265 HydrophobicContact CG2-CG2 3.74Å; V239-A267 HydrophobicContact CG1-CB 3.65Å
240	E	95.4	Very high	93.3	Very high	59 Å²	59	59.4 Å²	59.4	28%	0.276	28%	0.28	S	S	.	.	H	α-helix	trans	-59.2	-46.6	179	-172.7	175.6	-176.4	0	0	110.6	N236 K242 T243 K244 G245 I247 K248	N236-E240 WeakPolarHBondContact O-CB 3.22Å; N236-E240 PolarHBondContact O-N 3.37Å; E240-K242 PolarHBondContact O-N 3.35Å; E240-T243 CarbonylContact O-C 3.53Å; E240-T243 PolarHBondContact O-N 3.21Å; E240-T243 PolarHBondContact O-OG1 2.89Å; E240-K244 PolarHBondContact O-N 3.16Å; E240-K244 VanDerWaalsContact O-N 3.1Å; E240-G245 PolarHBondContact O-N 3.48Å; E240-I247 VanDerWaalsContact CA-O 3.27Å; E240-I247 WeakPolarHBondContact CA-O 3.34Å; E240-K248 HydrophobicContact CG-CG 4.15Å; E240-K248 VanDerWaalsContact OE1-CE 3.29Å; E240-K248 WeakPolarHBondContact OE1-CE 3.5Å; E240-K248 IonicContact OE1-NZ 3.8Å; E240-K248 PolarHBondContact OE1-NZ 3.42Å
241	K	94.7	Very high	93.1	Very high	170 Å²	170	53.8 Å²	53.8	74%	0.739	25%	0.253	S	S	*	.	H	α-helix	trans	-61	-45.9	176.3	-178.5	177.5	179.8	176.9	0	112.3	D237 W238 V239 T243 K244	D237-K241 WeakPolarHBondContact O-CB 3.5Å; D237-K241 PolarHBondContact O-N 3.36Å; W238-K241 PolarHBondContact O-N 2.97Å; V239-K241 VanDerWaalsContact C-N 3.33Å; V239-K241 PolarHBondContact O-N 3.21Å; K241-T243 VanDerWaalsContact C-N 3.25Å; K241-T243 PolarHBondContact O-N 3.33Å; K241-K244 PolarHBondContact O-N 3.26Å
242	K	90.2	Very high	92.8	Very high	100 Å²	100	56.4 Å²	56.4	44%	0.435	27%	0.27	S	S	.	.	H	α-helix	trans	-68.2	-26.3	-179	-73.6	-68.3	-176.2	175.1	0	112.8	H191 A193 W238 V239 E240	H191-K242 WeakPolarHBondContact CB-O 3.36Å; A193-K242 HydrophobicContact CB-CB 3.61Å; A193-K242 HydrophobicContact CB-CG 4.34Å; W238-K242 HydrophobicContact CD2-CG 4.05Å; W238-K242 HydrophobicContact CG-CG 4.48Å; W238-K242 HydrophobicContact CH2-CG 4.41Å; W238-K242 HydrophobicContact CZ2-CD 4.44Å; W238-K242 HydrophobicContact CZ2-CG 3.86Å; W238-K242 WeakPolarHBondContact O-CB 3.36Å; W238-K242 VanDerWaalsContact O-CG 3.3Å; W238-K242 WeakPolarHBondContact O-CG 3.28Å; W238-K242 PolarHBondContact O-N 2.91Å; V239-K242 PolarHBondContact O-N 3.33Å; E240-K242 PolarHBondContact O-N 3.35Å
243	T	88.4	Confident	92.4	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	16.8	179.7	63.1	0	0	0	0	112.9	A193 V239 E240 K241 G245 K246 I247 A267	A193-T243 HydrophobicContact CB-CG2 4.17Å; V239-T243 HydrophobicContact CG1-CG2 4.31Å; V239-T243 WeakPolarHBondContact O-CB 3.26Å; V239-T243 WeakPolarHBondContact O-CG2 2.9Å; V239-T243 PolarHBondContact O-N 3.17Å; V239-T243 PolarHBondContact O-OG1 3.39Å; E240-T243 CarbonylContact O-C 3.53Å; E240-T243 PolarHBondContact O-N 3.21Å; E240-T243 PolarHBondContact O-OG1 2.89Å; K241-T243 VanDerWaalsContact C-N 3.25Å; K241-T243 PolarHBondContact O-N 3.33Å; T243-G245 VanDerWaalsContact C-N 3.26Å; T243-G245 PolarHBondContact O-N 3.42Å; T243-K246 VanDerWaalsContact O-CB 3.22Å; T243-K246 WeakPolarHBondContact O-CB 3.33Å; T243-K246 VanDerWaalsContact O-CG 3.27Å; T243-K246 WeakPolarHBondContact O-CG 3.36Å; T243-K246 PolarHBondContact O-N 2.95Å; T243-I247 HydrophobicContact CG2-CB 4.04Å; T243-I247 HydrophobicContact CG2-CD1 4Å; T243-I247 HydrophobicContact CG2-CG1 4.14Å; T243-I247 PolarHBondContact OG1-N 3.37Å; T243-I247 VanDerWaalsContact OG1-N 3.11Å; T243-I247 PolarHBondContact OG1-O 3.09Å; T243-A267 HydrophobicContact CG2-CB 4.36Å
244	K	87.6	Confident	92	Very high	137 Å²	137	62.3 Å²	62.3	60%	0.596	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	37.2	177.7	-58.8	-66.8	-171.9	174.1	0	113.7	E240 K241 K246	E240-K244 PolarHBondContact O-N 3.16Å; E240-K244 VanDerWaalsContact O-N 3.1Å; K241-K244 PolarHBondContact O-N 3.26Å; K244-K246 VanDerWaalsContact C-N 3.29Å; K244-K246 PolarHBondContact O-N 3.03Å
245	G	89.7	Confident	91.7	Very high	27 Å²	27	59.4 Å²	59.4	28%	0.278	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	3.4	-180	0	0	0	0	0	114.5	E240 T243 K248	E240-G245 PolarHBondContact O-N 3.48Å; T243-G245 VanDerWaalsContact C-N 3.26Å; T243-G245 PolarHBondContact O-N 3.42Å; G245-K248 VanDerWaalsContact O-CE 3.27Å; G245-K248 WeakPolarHBondContact O-CE 3.14Å
246	K	88.1	Confident	91.5	Very high	92 Å²	92	59.8 Å²	59.8	40%	0.4	29%	0.294	S	S	.	.	S	Bend	trans	-86.3	-28.5	-173.1	-59.8	-62.2	-176.1	-178	0	113.9	T243 K244 Y269	T243-K246 VanDerWaalsContact O-CB 3.22Å; T243-K246 WeakPolarHBondContact O-CB 3.33Å; T243-K246 VanDerWaalsContact O-CG 3.27Å; T243-K246 WeakPolarHBondContact O-CG 3.36Å; T243-K246 PolarHBondContact O-N 2.95Å; K244-K246 VanDerWaalsContact C-N 3.29Å; K244-K246 PolarHBondContact O-N 3.03Å; K246-Y269 HydrophobicContact CB-CD1 4.11Å; K246-Y269 HydrophobicContact CB-CD2 3.85Å; K246-Y269 HydrophobicContact CB-CE2 4.25Å; K246-Y269 HydrophobicContact CB-CG 3.78Å; K246-Y269 HydrophobicContact CD-CE2 4.26Å; K246-Y269 HydrophobicContact CG-CD1 3.79Å; K246-Y269 HydrophobicContact CG-CD2 3.92Å; K246-Y269 HydrophobicContact CG-CE1 3.72Å; K246-Y269 HydrophobicContact CG-CE2 3.84Å; K246-Y269 HydrophobicContact CG-CG 3.9Å
247	I	88.2	Confident	91.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.312	C	S	.	.	S	Bend	trans	-116.3	115.8	174.9	-59.6	-177.7	0	0	0	107.9	V239 E240 T243 A267 I268 K416 F418	V239-I247 HydrophobicContact CG1-CB 4.05Å; V239-I247 HydrophobicContact CG1-CG2 3.75Å; E240-I247 VanDerWaalsContact CA-O 3.27Å; E240-I247 WeakPolarHBondContact CA-O 3.34Å; T243-I247 HydrophobicContact CG2-CB 4.04Å; T243-I247 HydrophobicContact CG2-CD1 4Å; T243-I247 HydrophobicContact CG2-CG1 4.14Å; T243-I247 PolarHBondContact OG1-N 3.37Å; T243-I247 VanDerWaalsContact OG1-N 3.11Å; T243-I247 PolarHBondContact OG1-O 3.09Å; I247-A267 HydrophobicContact CD1-CB 3.9Å; I247-A267 HydrophobicContact CG2-CB 4.22Å; I247-I268 WeakPolarHBondContact CD1-O 3.39Å; I247-K416 HydrophobicContact CG2-CB 4.16Å; I247-K416 HydrophobicContact CG2-CD 3.81Å; I247-K416 HydrophobicContact CG2-CG 4.01Å; I247-F418 HydrophobicContact CD1-CB 4.45Å; I247-F418 HydrophobicContact CG1-CB 4.28Å
248	K	91.9	Very high	91.1	Very high	98 Å²	98	64.6 Å²	64.6	43%	0.426	32%	0.319	S	S	.	.			trans	-118.3	158.1	178.2	-54.7	-176	-173.9	-122.3	0	109.7	E240 G245 L250 K416	E240-K248 HydrophobicContact CG-CG 4.15Å; E240-K248 VanDerWaalsContact OE1-CE 3.29Å; E240-K248 WeakPolarHBondContact OE1-CE 3.5Å; E240-K248 IonicContact OE1-NZ 3.8Å; E240-K248 PolarHBondContact OE1-NZ 3.42Å; G245-K248 VanDerWaalsContact O-CE 3.27Å; G245-K248 WeakPolarHBondContact O-CE 3.14Å; K248-L250 PolarHBondContact O-N 2.84Å; K248-L250 VanDerWaalsContact O-N 3.16Å; K248-K416 PolarHBondContact O-NZ 3.42Å
249	D	91.8	Very high	90.8	Very high	115 Å²	115	68.6 Å²	68.6	62%	0.615	34%	0.342	S	S	*	.			trans	48.3	47.4	172.1	-54.1	-58.7	0	0	0	112.4	I251	D249-I251 VanDerWaalsContact C-N 3.28Å; D249-I251 PolarHBondContact O-N 2.66Å
250	L	90.8	Very high	90.8	Very high	1 Å²	1	68.9 Å²	68.9	1%	0.005	34%	0.344	C	S	.	.			trans	-60.1	-42.1	-178.4	171	66.7	0	0	0	111.5	N236 V239 K248 I265 A267 F414 K416	N236-L250 PolarHBondContact OD1-N 2.99Å; V239-L250 HydrophobicContact CG1-CB 4.27Å; V239-L250 HydrophobicContact CG1-CD2 4.33Å; V239-L250 HydrophobicContact CG2-CB 4.4Å; V239-L250 HydrophobicContact CG2-CD2 3.65Å; K248-L250 PolarHBondContact O-N 2.84Å; K248-L250 VanDerWaalsContact O-N 3.16Å; L250-I265 HydrophobicContact CD2-CD1 3.99Å; L250-I265 HydrophobicContact CD2-CG2 3.52Å; L250-A267 HydrophobicContact CD2-CB 4.32Å; L250-F414 HydrophobicContact CD1-CB 4.25Å; L250-F414 HydrophobicContact CD2-CB 4.31Å; L250-F414 HydrophobicContact CG-CB 4.16Å; L250-K416 HydrophobicContact CD1-CB 3.23Å; L250-K416 HydrophobicContact CD1-CD 4.11Å; L250-K416 HydrophobicContact CD1-CG 4.32Å
251	I	90.8	Very high	90.8	Very high	2 Å²	2	69 Å²	69	1%	0.01	34%	0.341	C	S	.	.	S	Bend	trans	-112.7	134.2	-177.9	61.1	165.7	0	0	0	110.2	C232 I235 N236 D249 A255 I256 I265 F414	C232-I251 HydrophobicContact CB-CD1 4.21Å; I235-I251 HydrophobicContact CB-CD1 3.81Å; I235-I251 HydrophobicContact CD1-CD1 3.85Å; I235-I251 HydrophobicContact CG1-CD1 4.42Å; I235-I251 HydrophobicContact CG2-CD1 3.8Å; I235-I251 HydrophobicContact CG2-CG1 4.25Å; N236-I251 PolarHBondContact ND2-O 2.81Å; N236-I251 WeakPolarHBondContact OD1-CG1 3.47Å; N236-I251 PolarHBondContact OD1-N 2.49Å; D249-I251 VanDerWaalsContact C-N 3.28Å; D249-I251 PolarHBondContact O-N 2.66Å; I251-A255 HydrophobicContact CB-CB 4.42Å; I251-I256 HydrophobicContact CD1-CD1 4.21Å; I251-I256 HydrophobicContact CD1-CG1 4.1Å; I251-I265 HydrophobicContact CG2-CD1 3.81Å; I251-F414 HydrophobicContact CB-CD1 4.49Å; I251-F414 HydrophobicContact CB-CD2 4.42Å; I251-F414 HydrophobicContact CB-CE1 4.42Å; I251-F414 HydrophobicContact CB-CE2 4.29Å; I251-F414 HydrophobicContact CB-CZ 4.33Å; I251-F414 HydrophobicContact CG2-CB 3.95Å; I251-F414 HydrophobicContact CG2-CD1 3.76Å; I251-F414 HydrophobicContact CG2-CD2 3.3Å; I251-F414 HydrophobicContact CG2-CE1 4.07Å; I251-F414 HydrophobicContact CG2-CE2 3.6Å; I251-F414 HydrophobicContact CG2-CG 3.38Å; I251-F414 HydrophobicContact CG2-CZ 4.01Å
252	P	90.2	Very high	90.9	Very high	59 Å²	59	60.9 Å²	60.9	38%	0.383	31%	0.306	S	S	.	.			trans	-67.6	150	177.2	25.3	-30.4	0	0	0	110.5	C232 D254 A255	C232-P252 PolarHBondContact SG-O 3.34Å; P252-D254 PolarHBondContact O-N 2.84Å; P252-A255 HydrophobicContact CG-CB 3.97Å; P252-A255 WeakPolarHBondContact O-CB 3.48Å; P252-A255 PolarHBondContact O-N 3.01Å
253	Q	87.6	Confident	91.2	Very high	152 Å²	152	56.1 Å²	56.1	71%	0.71	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.9	-172	-70.4	-174.8	-9.4	0	0	114.3	L229	L229-Q253 HydrophobicContact CD2-CB 4.29Å
254	D	88.1	Confident	91.6	Very high	103 Å²	103	56.1 Å²	56.1	55%	0.551	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	3.7	-179.6	77.4	-44.6	0	0	0	113.6	P252 I256 K257	P252-D254 PolarHBondContact O-N 2.84Å; D254-I256 VanDerWaalsContact C-N 3.31Å; D254-I256 PolarHBondContact O-N 3.02Å; D254-K257 WeakPolarHBondContact O-CD 3.2Å; D254-K257 WeakPolarHBondContact O-CE 3.37Å; D254-K257 PolarHBondContact O-NZ 2.88Å; D254-K257 IonicContact OD2-NZ 3.34Å
255	A	90.2	Very high	91.9	Very high	15 Å²	15	49.6 Å²	49.6	12%	0.124	26%	0.257	C	S	.	.	S	Bend	trans	-60.1	-37.7	179.9	0	0	0	0	0	113.7	I251 P252 F414	I251-A255 HydrophobicContact CB-CB 4.42Å; P252-A255 HydrophobicContact CG-CB 3.97Å; P252-A255 WeakPolarHBondContact O-CB 3.48Å; P252-A255 PolarHBondContact O-N 3.01Å; A255-F414 HydrophobicContact CB-CE1 4.34Å; A255-F414 HydrophobicContact CB-CE2 4.31Å; A255-F414 HydrophobicContact CB-CZ 3.59Å
256	I	93.8	Very high	92	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.041	24%	0.244	C	C	.	.			trans	-90.5	119.3	-174.7	-53.8	-55.9	0	0	0	109.7	F225 A231 C232 I235 I251 D254 V263	F225-I256 HydrophobicContact CB-CG2 3.75Å; F225-I256 HydrophobicContact CD1-CG2 3.53Å; F225-I256 HydrophobicContact CE1-CG2 4.38Å; F225-I256 HydrophobicContact CG-CG2 3.91Å; A231-I256 HydrophobicContact CB-CG2 4.28Å; C232-I256 HydrophobicContact CB-CG1 4.32Å; I235-I256 HydrophobicContact CD1-CD1 4.38Å; I251-I256 HydrophobicContact CD1-CD1 4.21Å; I251-I256 HydrophobicContact CD1-CG1 4.1Å; D254-I256 VanDerWaalsContact C-N 3.31Å; D254-I256 PolarHBondContact O-N 3.02Å; I256-V263 HydrophobicContact CD1-CG1 4.48Å; I256-V263 HydrophobicContact CD1-CG2 3.69Å
257	K	93	Very high	92.2	Very high	106 Å²	106	43.9 Å²	43.9	46%	0.461	23%	0.225	S	C	.	.			trans	-111.5	159.8	179.9	-53.3	-57.4	-170.5	-168.4	0	110.3	D254 L259 T260	D254-K257 WeakPolarHBondContact O-CD 3.2Å; D254-K257 WeakPolarHBondContact O-CE 3.37Å; D254-K257 PolarHBondContact O-NZ 2.88Å; D254-K257 IonicContact OD2-NZ 3.34Å; K257-L259 PolarHBondContact O-N 3.14Å; K257-T260 PolarHBondContact N-OG1 3.12Å; K257-T260 WeakPolarHBondContact O-CB 3.26Å; K257-T260 PolarHBondContact O-N 3.02Å; K257-T260 PolarHBondContact O-OG1 2.8Å
258	P	90.8	Very high	92.3	Very high	82 Å²	82	44.1 Å²	44.1	53%	0.532	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.8	179.1	-27.4	36	0	0	0	115.4
259	L	91.2	Very high	92.1	Very high	114 Å²	114	39.6 Å²	39.6	60%	0.597	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-2.4	176.8	-65.3	179.6	0	0	0	113.8	K257 R261 Y409	K257-L259 PolarHBondContact O-N 3.14Å; L259-R261 VanDerWaalsContact C-NH1 3.32Å; L259-R261 PolarHBondContact O-N 2.75Å; L259-R261 PolarHBondContact O-NH1 2.98Å; L259-R261 VanDerWaalsContact O-NH1 3.08Å; L259-Y409 PolarHBondContact O-OH 3.44Å
260	T	94.9	Very high	91.8	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.037	18%	0.177	C	C	.	.			trans	-55.1	140.3	173.2	-62.6	0	0	0	0	109.9	F225 K257 V263 S411	F225-T260 HydrophobicContact CB-CG2 4.48Å; F225-T260 HydrophobicContact CD1-CG2 4.39Å; F225-T260 HydrophobicContact CD2-CG2 3.54Å; F225-T260 WeakPolarHBondContact CD2-O 3.5Å; F225-T260 HydrophobicContact CE1-CG2 4.5Å; F225-T260 HydrophobicContact CE2-CG2 3.66Å; F225-T260 HydrophobicContact CG-CG2 3.91Å; F225-T260 HydrophobicContact CZ-CG2 4.15Å; K257-T260 PolarHBondContact N-OG1 3.12Å; K257-T260 WeakPolarHBondContact O-CB 3.26Å; K257-T260 PolarHBondContact O-N 3.02Å; K257-T260 PolarHBondContact O-OG1 2.8Å; T260-V263 HydrophobicContact CG2-CG2 3.43Å; T260-V263 VanDerWaalsContact CG2-CG2 3.43Å; T260-S411 WeakPolarHBondContact CA-OG 3.45Å
261	R	95.1	Very high	91.6	Very high	61 Å²	61	36.8 Å²	36.8	23%	0.23	19%	0.188	C	C	.	.			trans	-123.2	-49.4	-178	-67.5	-63.6	175.2	-93.8	-4	112.4	G198 Q199 L259 L408 Y409 S411	G198-R261 CarbonylContact C-O 3.59Å; G198-R261 WeakPolarHBondContact CA-O 3.39Å; Q199-R261 PolarHBondContact N-O 2.95Å; L259-R261 VanDerWaalsContact C-NH1 3.32Å; L259-R261 PolarHBondContact O-N 2.75Å; L259-R261 PolarHBondContact O-NH1 2.98Å; L259-R261 VanDerWaalsContact O-NH1 3.08Å; R261-L408 HydrophobicContact CB-CD2 4.05Å; R261-Y409 HydrophobicContact CB-CD1 4.4Å; R261-Y409 HydrophobicContact CB-CE1 4.29Å; R261-Y409 HydrophobicContact CG-CD1 4.13Å; R261-Y409 HydrophobicContact CG-CE1 3.65Å; R261-S411 PolarHBondContact N-OG 3.27Å
262	L	96.6	Very high	91.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.2	172.8	-64.3	174.1	0	0	0	110.1	F197 M220 F399 I402 L408 Y409 S411 E412	F197-L262 CarbonylContact O-C 3.48Å; F197-L262 VanDerWaalsContact O-CA 3.3Å; F197-L262 WeakPolarHBondContact O-CA 3.33Å; M220-L262 HydrophobicContact CE-CD2 3.42Å; M220-L262 VanDerWaalsContact CE-CD2 3.42Å; L262-F399 HydrophobicContact CD1-CD2 4.33Å; L262-F399 HydrophobicContact CD1-CG 4.45Å; L262-I402 HydrophobicContact CD1-CD1 3.97Å; L262-L408 HydrophobicContact CD1-CB 4.01Å; L262-L408 HydrophobicContact CD1-CD1 4.16Å; L262-L408 HydrophobicContact CD2-CD1 4.22Å; L262-L408 HydrophobicContact CD2-CD2 4.37Å; L262-L408 HydrophobicContact CG-CB 4.43Å; L262-L408 HydrophobicContact CG-CD1 4.36Å; L262-L408 HydrophobicContact CG-CD2 4.15Å; L262-Y409 WeakPolarHBondContact CB-O 3.04Å; L262-Y409 PolarHBondContact N-O 3.39Å; L262-S411 WeakPolarHBondContact O-CB 3.44Å; L262-S411 PolarHBondContact O-N 2.94Å; L262-E412 PolarHBondContact O-N 3.35Å
263	V	96.3	Very high	91.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.2	171.1	-174.8	0	0	0	0	108.3	F197 F225 I256 T260 I265 E412 F414	F197-V263 HydrophobicContact CB-CB 4.29Å; F197-V263 PolarHBondContact N-O 3.35Å; F197-V263 PolarHBondContact O-N 3.38Å; F225-V263 HydrophobicContact CE1-CG2 4.23Å; F225-V263 HydrophobicContact CE2-CG2 4.38Å; F225-V263 HydrophobicContact CZ-CG2 3.84Å; I256-V263 HydrophobicContact CD1-CG1 4.48Å; I256-V263 HydrophobicContact CD1-CG2 3.69Å; T260-V263 HydrophobicContact CG2-CG2 3.43Å; T260-V263 VanDerWaalsContact CG2-CG2 3.43Å; V263-I265 HydrophobicContact CG1-CD1 3.7Å; V263-I265 HydrophobicContact CG1-CG1 4.05Å; V263-E412 WeakPolarHBondContact CA-O 3.39Å; V263-E412 HydrophobicContact CG1-CB 4.42Å; V263-F414 HydrophobicContact CG1-CD2 4Å; V263-F414 HydrophobicContact CG1-CE2 4.03Å
264	L	96	Very high	91.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	117	174.9	-178.9	60.3	0	0	0	109.7	A138 L139 M141 L196 V410 E412 A413 F414	A138-L264 HydrophobicContact CB-CD1 3.88Å; A138-L264 HydrophobicContact CB-CD2 4.25Å; A138-L264 HydrophobicContact CB-CG 4.23Å; A138-L264 WeakPolarHBondContact O-CD1 3.21Å; L139-L264 HydrophobicContact CD2-CD2 3.81Å; L139-L264 HydrophobicContact CG-CD2 4.47Å; M141-L264 HydrophobicContact CE-CD1 3.24Å; L196-L264 HydrophobicContact CD2-CB 4.33Å; L196-L264 HydrophobicContact CD2-CD1 3.82Å; L196-L264 HydrophobicContact CG-CD1 4.22Å; L264-V410 HydrophobicContact CB-CG1 4.32Å; L264-E412 PolarHBondContact N-O 3.05Å; L264-A413 HydrophobicContact CB-CB 4.02Å; L264-A413 HydrophobicContact CD2-CB 4.47Å; L264-A413 WeakPolarHBondContact O-CA 3.2Å; L264-F414 PolarHBondContact O-N 2.96Å
265	I	94.5	Very high	91.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.7	179	-63.1	-58.8	0	0	0	110.1	N194 R195 F197 I235 W238 V239 L250 I251 V263 F414	N194-I265 WeakPolarHBondContact CA-O 3.15Å; R195-I265 PolarHBondContact N-O 2.76Å; R195-I265 VanDerWaalsContact N-O 3.15Å; R195-I265 PolarHBondContact O-N 2.89Å; F197-I265 HydrophobicContact CD2-CB 4.34Å; F197-I265 HydrophobicContact CD2-CG1 3.66Å; F197-I265 HydrophobicContact CE2-CB 4.08Å; F197-I265 HydrophobicContact CE2-CG1 3.68Å; I235-I265 HydrophobicContact CG2-CD1 3.79Å; I235-I265 HydrophobicContact CG2-CG1 3.79Å; W238-I265 HydrophobicContact CZ3-CG2 3.85Å; V239-I265 HydrophobicContact CG2-CG2 3.74Å; L250-I265 HydrophobicContact CD2-CD1 3.99Å; L250-I265 HydrophobicContact CD2-CG2 3.52Å; I251-I265 HydrophobicContact CG2-CD1 3.81Å; V263-I265 HydrophobicContact CG1-CD1 3.7Å; V263-I265 HydrophobicContact CG1-CG1 4.05Å; I265-F414 HydrophobicContact CD1-CB 4.08Å; I265-F414 HydrophobicContact CD1-CD2 3.79Å; I265-F414 HydrophobicContact CD1-CG 4.35Å
266	N	93.1	Very high	92	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	114.3	172.4	-175.9	-107.5	0	0	0	109.7	S134 A138 A193 N194 F414 H415 K416	S134-N266 PolarHBondContact O-ND2 2.85Å; S134-N266 PolarHBondContact OG-ND2 3Å; S134-N266 PolarHBondContact OG-OD1 3.11Å; A138-N266 HydrophobicContact CB-CB 3.96Å; A193-N266 WeakPolarHBondContact O-CA 3.47Å; N194-N266 PolarHBondContact OD1-ND2 2.93Å; N266-F414 PolarHBondContact N-O 2.84Å; N266-H415 VanDerWaalsContact O-CA 3.24Å; N266-H415 WeakPolarHBondContact O-CA 3.32Å; N266-H415 PolarHBondContact OD1-CE1 3.22Å; N266-H415 VanDerWaalsContact OD1-CE1 3.28Å; N266-H415 PolarHBondContact OD1-ND1 3.08Å; N266-K416 PolarHBondContact O-N 3.21Å
267	A	92.1	Very high	92	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.9	171.4	0	0	0	0	0	110.2	A193 V239 T243 I247 L250 K416	A193-A267 HydrophobicContact CB-CB 4.19Å; A193-A267 PolarHBondContact N-O 2.83Å; A193-A267 PolarHBondContact O-N 3.36Å; V239-A267 HydrophobicContact CG1-CB 3.65Å; T243-A267 HydrophobicContact CG2-CB 4.36Å; I247-A267 HydrophobicContact CD1-CB 3.9Å; I247-A267 HydrophobicContact CG2-CB 4.22Å; L250-A267 HydrophobicContact CD2-CB 4.32Å; A267-K416 WeakPolarHBondContact CA-O 3.24Å
268	I	89.5	Confident	92.1	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	126.1	-175	-175.4	174.1	0	0	0	111.7	S131 L190 H191 I192 I247 K416 A417 F418 F471	S131-I268 WeakPolarHBondContact OG-CD1 3.42Å; L190-I268 HydrophobicContact CD1-CD1 3.83Å; L190-I268 HydrophobicContact CD1-CG1 3.88Å; H191-I268 WeakPolarHBondContact O-CA 3.38Å; I192-I268 HydrophobicContact CD1-CD1 4.3Å; I192-I268 HydrophobicContact CG1-CD1 3.91Å; I192-I268 HydrophobicContact CG1-CG1 3.95Å; I247-I268 WeakPolarHBondContact CD1-O 3.39Å; I268-K416 PolarHBondContact N-O 3.13Å; I268-K416 VanDerWaalsContact N-O 3.1Å; I268-A417 HydrophobicContact CG2-CB 3.88Å; I268-A417 WeakPolarHBondContact O-CA 3.44Å; I268-F418 PolarHBondContact O-N 3.03Å; I268-F471 HydrophobicContact CD1-CE1 3.88Å; I268-F471 HydrophobicContact CD1-CE2 4.08Å; I268-F471 HydrophobicContact CD1-CZ 3.34Å; I268-F471 HydrophobicContact CG1-CE1 4.13Å; I268-F471 HydrophobicContact CG1-CZ 3.68Å; I268-F471 HydrophobicContact CG2-CE1 3.96Å; I268-F471 HydrophobicContact CG2-CZ 4.39Å
269	Y	87.6	Confident	92.2	Very high	4 Å²	4	26 Å²	26	2%	0.016	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.9	174.1	160.2	-116.7	0	0	0	109	E189 H191 K246 K271 F418	E189-Y269 HydrophobicContact CG-CE1 3.94Å; E189-Y269 VanDerWaalsContact OE2-CE1 3.31Å; E189-Y269 WeakPolarHBondContact OE2-CE1 3.27Å; E189-Y269 PolarHBondContact OE2-OH 3.47Å; H191-Y269 HydrophobicContact CB-CD1 4.36Å; H191-Y269 AromaticContact CD2-CD1 3.65Å; H191-Y269 AromaticContact CD2-CE1 3.94Å; H191-Y269 PolarHBondContact N-O 2.78Å; H191-Y269 PolarHBondContact O-N 3Å; K246-Y269 HydrophobicContact CB-CD1 4.11Å; K246-Y269 HydrophobicContact CB-CD2 3.85Å; K246-Y269 HydrophobicContact CB-CE2 4.25Å; K246-Y269 HydrophobicContact CB-CG 3.78Å; K246-Y269 HydrophobicContact CD-CE2 4.26Å; K246-Y269 HydrophobicContact CG-CD1 3.79Å; K246-Y269 HydrophobicContact CG-CD2 3.92Å; K246-Y269 HydrophobicContact CG-CE1 3.72Å; K246-Y269 HydrophobicContact CG-CE2 3.84Å; K246-Y269 HydrophobicContact CG-CG 3.9Å; Y269-K271 HydrophobicContact CE2-CB 3.97Å; Y269-K271 WeakPolarHBondContact OH-CB 3.22Å; Y269-K271 WeakPolarHBondContact OH-CD 3.35Å; Y269-F418 HydrophobicContact CD2-CB 4.3Å; Y269-F418 AromaticContact CD2-CD1 3.61Å; Y269-F418 HydrophobicContact CD2-CD1 3.61Å; Y269-F418 HydrophobicContact CD2-CE1 4.3Å; Y269-F418 HydrophobicContact CD2-CG 4.23Å; Y269-F418 AromaticContact CE2-CD1 3.89Å; Y269-F418 HydrophobicContact CE2-CD1 3.89Å; Y269-F418 HydrophobicContact CE2-CE1 4.13Å
270	F	86.5	Confident	92.4	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.009	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134	177.9	171.8	-89.6	0	0	0	110.7	Y188 L190 A272 Y322 L327 F418 I419 I461 F471	Y188-F270 HydrophobicContact CD2-CE2 4.36Å; Y188-F270 HydrophobicContact CE2-CD2 4.28Å; Y188-F270 AromaticContact CE2-CE2 3.77Å; Y188-F270 HydrophobicContact CE2-CE2 3.77Å; L190-F270 HydrophobicContact CD1-CB 4.32Å; L190-F270 HydrophobicContact CD1-CD2 4.27Å; F270-A272 HydrophobicContact CE1-CB 3.93Å; F270-A272 HydrophobicContact CE2-CB 3.98Å; F270-A272 HydrophobicContact CZ-CB 3.4Å; F270-A272 VanDerWaalsContact CZ-CB 3.4Å; F270-Y322 HydrophobicContact CE1-CE1 4.14Å; F270-Y322 HydrophobicContact CE1-CE2 4.15Å; F270-Y322 AromaticContact CE1-CZ 3.71Å; F270-Y322 HydrophobicContact CZ-CD2 4.23Å; F270-Y322 HydrophobicContact CZ-CE1 4.19Å; F270-Y322 AromaticContact CZ-CE2 3.81Å; F270-Y322 HydrophobicContact CZ-CE2 3.81Å; F270-Y322 AromaticContact CZ-CZ 3.79Å; F270-L327 HydrophobicContact CE2-CD1 3.58Å; F270-L327 HydrophobicContact CZ-CD1 4.15Å; F270-F418 PolarHBondContact N-O 3.12Å; F270-I419 HydrophobicContact CD1-CG1 4.39Å; F270-I461 HydrophobicContact CD1-CD1 3.66Å; F270-I461 HydrophobicContact CE1-CD1 3.38Å; F270-I461 HydrophobicContact CG-CD1 4.38Å; F270-I461 HydrophobicContact CZ-CD1 3.85Å; F270-I461 HydrophobicContact CZ-CG2 4.37Å; F270-F471 HydrophobicContact CB-CE1 4.38Å; F270-F471 HydrophobicContact CB-CE2 3.53Å; F270-F471 HydrophobicContact CB-CZ 3.41Å; F270-F471 VanDerWaalsContact CB-CZ 3.41Å; F270-F471 HydrophobicContact CD1-CE2 4.5Å; F270-F471 AromaticContact CD2-CE2 3.97Å; F270-F471 HydrophobicContact CD2-CE2 3.97Å; F270-F471 AromaticContact CG-CE2 3.76Å; F270-F471 HydrophobicContact CG-CE2 3.76Å; F270-F471 HydrophobicContact CG-CZ 4.17Å
271	K	85.6	Confident	92.4	Very high	54 Å²	54	29.7 Å²	29.7	24%	0.235	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	127.9	170.7	-179.4	178	176.4	-174.1	0	109	E189 Y269 G425 S426	E189-K271 WeakPolarHBondContact CA-O 3.46Å; E189-K271 HydrophobicContact CB-CB 4.42Å; E189-K271 PolarHBondContact N-O 3.28Å; E189-K271 PolarHBondContact O-N 2.84Å; E189-K271 VanDerWaalsContact O-O 3.05Å; Y269-K271 HydrophobicContact CE2-CB 3.97Å; Y269-K271 WeakPolarHBondContact OH-CB 3.22Å; Y269-K271 WeakPolarHBondContact OH-CD 3.35Å; K271-G425 WeakPolarHBondContact CE-O 3.49Å; K271-S426 VanDerWaalsContact NZ-CB 3.33Å; K271-S426 PolarHBondContact NZ-OG 3.23Å
272	A	87.3	Confident	92.4	Very high	5 Å²	5	30.5 Å²	30.5	4%	0.041	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	143	178.7	0	0	0	0	0	111.3	G187 Y188 F270 Y322 G425	G187-A272 CarbonylContact O-C 3.42Å; G187-A272 VanDerWaalsContact O-CA 3.28Å; G187-A272 WeakPolarHBondContact O-CA 3.38Å; Y188-A272 HydrophobicContact CD2-CB 3.88Å; F270-A272 HydrophobicContact CE1-CB 3.93Å; F270-A272 HydrophobicContact CE2-CB 3.98Å; F270-A272 HydrophobicContact CZ-CB 3.4Å; F270-A272 VanDerWaalsContact CZ-CB 3.4Å; A272-Y322 HydrophobicContact CB-CD1 3.33Å; A272-Y322 HydrophobicContact CB-CE1 3.72Å; A272-Y322 HydrophobicContact CB-CG 3.81Å; A272-Y322 WeakPolarHBondContact O-CD1 3.16Å; A272-Y322 VanDerWaalsContact O-CE1 3.31Å; A272-Y322 WeakPolarHBondContact O-CE1 3.24Å; A272-G425 WeakPolarHBondContact O-CA 3.47Å
273	D	90.7	Very high	92.4	Very high	17 Å²	17	31.6 Å²	31.6	9%	0.091	18%	0.177	C	C	.	.			trans	-74.1	139.3	174.7	-75.2	-10.5	0	0	0	110.8	G187 Y322 V323 K424 S426	G187-D273 PolarHBondContact O-N 2.93Å; D273-Y322 CarbonylContact O-C 3.05Å; D273-Y322 VanDerWaalsContact O-CA 3.25Å; D273-Y322 WeakPolarHBondContact O-CA 3.39Å; D273-Y322 WeakPolarHBondContact O-CB 3.34Å; D273-Y322 WeakPolarHBondContact O-CD1 3.3Å; D273-V323 HydrophobicContact CB-CB 4.41Å; D273-V323 HydrophobicContact CB-CG1 3.61Å; D273-V323 HydrophobicContact CB-CG2 3.89Å; D273-V323 WeakPolarHBondContact O-CG2 3.36Å; D273-V323 PolarHBondContact O-N 3.11Å; D273-K424 CarbonylContact C-O 3.53Å; D273-K424 WeakPolarHBondContact CA-O 3.35Å; D273-K424 IonicContact OD1-NZ 2.63Å; D273-K424 IonicContact OD2-NZ 3.45Å; D273-K424 PolarHBondContact OD2-NZ 3.44Å; D273-S426 WeakPolarHBondContact OD1-CA 3.49Å; D273-S426 PolarHBondContact OD1-N 3.19Å
274	W	92.7	Very high	92.4	Very high	6 Å²	6	37.5 Å²	37.5	2%	0.023	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-63	140.2	167.3	-57.7	121.3	0	0	0	109.9	A276 F278 I320 Y322 V323 M329 I421 N422 K424	W274-A276 WeakPolarHBondContact CB-O 3.31Å; W274-A276 PolarHBondContact O-N 2.88Å; W274-A276 VanDerWaalsContact O-N 3.14Å; W274-F278 AromaticContact CD1-CD2 3.95Å; W274-F278 AromaticContact NE1-CE2 4Å; W274-I320 HydrophobicContact CD2-CG2 4.01Å; W274-I320 HydrophobicContact CE3-CB 4.13Å; W274-I320 HydrophobicContact CE3-CG2 3.45Å; W274-I320 VanDerWaalsContact CE3-CG2 3.45Å; W274-I320 HydrophobicContact CZ3-CB 3.92Å; W274-I320 HydrophobicContact CZ3-CG2 3.77Å; W274-Y322 HydrophobicContact CD2-CD1 4.38Å; W274-Y322 HydrophobicContact CD2-CE1 4.15Å; W274-Y322 AromaticContact CE3-CD1 3.68Å; W274-Y322 HydrophobicContact CE3-CD1 3.68Å; W274-Y322 AromaticContact CE3-CE1 3.54Å; W274-Y322 HydrophobicContact CE3-CE1 3.54Å; W274-Y322 HydrophobicContact CE3-CG 4.29Å; W274-Y322 AromaticContact CH2-CE1 3.73Å; W274-Y322 HydrophobicContact CH2-CE1 3.73Å; W274-Y322 HydrophobicContact CH2-CE2 4.44Å; W274-Y322 AromaticContact CH2-CZ 3.61Å; W274-Y322 WeakPolarHBondContact CH2-OH 3.33Å; W274-Y322 HydrophobicContact CZ2-CE1 4.28Å; W274-Y322 AromaticContact CZ3-CD1 3.84Å; W274-Y322 HydrophobicContact CZ3-CD1 3.84Å; W274-Y322 HydrophobicContact CZ3-CD2 4.32Å; W274-Y322 AromaticContact CZ3-CE1 3.32Å; W274-Y322 HydrophobicContact CZ3-CE1 3.32Å; W274-Y322 AromaticContact CZ3-CE2 3.86Å; W274-Y322 HydrophobicContact CZ3-CE2 3.86Å; W274-Y322 HydrophobicContact CZ3-CG 4.32Å; W274-Y322 AromaticContact CZ3-CZ 3.33Å; W274-V323 WeakPolarHBondContact O-CG1 3.41Å; W274-M329 HydrophobicContact CH2-CB 3.88Å; W274-M329 HydrophobicContact CH2-CG 4.28Å; W274-M329 HydrophobicContact CH2-SD 3.6Å; W274-M329 HydrophobicContact CZ2-SD 4.47Å; W274-M329 HydrophobicContact CZ3-CB 3.81Å; W274-M329 HydrophobicContact CZ3-SD 4.45Å; W274-I421 HydrophobicContact CH2-CD1 4.34Å; W274-I421 HydrophobicContact CZ2-CD1 4.2Å; W274-I421 HydrophobicContact CZ2-CG2 4.16Å; W274-N422 PolarHBondContact NE1-O 3.42Å; W274-K424 VanDerWaalsContact CD1-C 3.47Å; W274-K424 PolarHBondContact N-O 3.4Å
275	K	92.3	Very high	92.5	Very high	113 Å²	113	45.4 Å²	45.4	49%	0.491	24%	0.237	S	C	.	.	S	Bend	trans	-57.2	-29.2	168.1	-174.2	168.8	179.9	171.3	0	110.9	P321 E325	K275-P321 HydrophobicContact CB-CB 4.23Å; K275-P321 HydrophobicContact CB-CG 4.13Å; K275-P321 WeakPolarHBondContact CB-O 3.24Å; K275-P321 HydrophobicContact CD-CB 4.44Å; K275-P321 HydrophobicContact CD-CG 4.4Å; K275-P321 PolarHBondContact N-O 2.93Å; K275-E325 IonicContact NZ-OE1 2.85Å; K275-E325 PolarHBondContact NZ-OE1 3.31Å
276	A	93.2	Very high	92.7	Very high	4 Å²	4	47.3 Å²	47.3	3%	0.033	25%	0.249	C	C	.	.	S	Bend	trans	-131.4	98.7	175.6	0	0	0	0	0	110	W274 M303 K305 F307	W274-A276 WeakPolarHBondContact CB-O 3.31Å; W274-A276 PolarHBondContact O-N 2.88Å; W274-A276 VanDerWaalsContact O-N 3.14Å; A276-M303 HydrophobicContact CB-CE 4.11Å; A276-K305 HydrophobicContact CB-CD 3.5Å; A276-K305 VanDerWaalsContact CB-CE 3.48Å; A276-F307 HydrophobicContact CB-CE1 4.21Å; A276-F307 HydrophobicContact CB-CZ 4.09Å
277	P	93.5	Very high	92.9	Very high	49 Å²	49	50 Å²	50	32%	0.318	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-70.2	148.6	-178.1	29.6	-35.7	0	0	0	111.8	E423 K424	P277-E423 CarbonylContact C-O 3.51Å; P277-E423 WeakPolarHBondContact CA-O 3.47Å; P277-K424 HydrophobicContact CB-CB 4.3Å; P277-K424 HydrophobicContact CB-CD 4.33Å; P277-K424 HydrophobicContact CB-CG 4.21Å
278	F	94.5	Very high	93.1	Very high	9 Å²	9	50 Å²	50	4%	0.039	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-69.3	150.1	165.2	-62	-99.1	0	0	0	109.6	W274 M301 M303 I320 V366 E423	W274-F278 AromaticContact CD1-CD2 3.95Å; W274-F278 AromaticContact NE1-CE2 4Å; F278-M301 HydrophobicContact CB-CB 4.19Å; F278-M301 HydrophobicContact CD1-CB 3.65Å; F278-M301 HydrophobicContact CD2-CB 4.41Å; F278-M301 HydrophobicContact CD2-CE 4.43Å; F278-M301 HydrophobicContact CD2-SD 4.36Å; F278-M301 HydrophobicContact CE1-CB 4.06Å; F278-M301 HydrophobicContact CE2-CE 4.31Å; F278-M301 HydrophobicContact CG-CB 3.84Å; F278-M303 HydrophobicContact CD1-CB 3.99Å; F278-M303 HydrophobicContact CD1-CG 3.77Å; F278-M303 HydrophobicContact CD1-SD 3.72Å; F278-M303 HydrophobicContact CD2-SD 4.23Å; F278-M303 HydrophobicContact CE1-CB 4.28Å; F278-M303 HydrophobicContact CE1-CG 3.6Å; F278-M303 HydrophobicContact CE1-SD 3.68Å; F278-M303 HydrophobicContact CE2-SD 4.17Å; F278-M303 HydrophobicContact CG-SD 4.01Å; F278-M303 HydrophobicContact CZ-CG 4.31Å; F278-M303 HydrophobicContact CZ-SD 3.9Å; F278-I320 HydrophobicContact CE2-CD1 4.31Å; F278-I320 HydrophobicContact CZ-CD1 3.93Å; F278-V366 HydrophobicContact CE1-CG1 4.07Å; F278-V366 HydrophobicContact CZ-CG1 4.09Å; F278-E423 HydrophobicContact CB-CB 3.97Å; F278-E423 HydrophobicContact CB-CG 4.18Å; F278-E423 WeakPolarHBondContact CB-O 3.28Å; F278-E423 PolarHBondContact N-O 3.39Å
279	K	94.2	Very high	93.5	Very high	98 Å²	98	53 Å²	53	43%	0.426	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-88.2	121	173.5	-65.8	-179.8	-178.4	177.2	0	108.5	A281 L282	K279-A281 PolarHBondContact O-N 3.4Å; K279-A281 VanDerWaalsContact O-N 3.12Å; K279-L282 HydrophobicContact CB-CB 4.5Å; K279-L282 HydrophobicContact CB-CD1 4.12Å; K279-L282 HydrophobicContact CB-CG 4.05Å; K279-L282 HydrophobicContact CD-CD1 4.27Å; K279-L282 WeakPolarHBondContact O-CA 3.43Å; K279-L282 WeakPolarHBondContact O-CB 3.09Å; K279-L282 PolarHBondContact O-N 3.47Å
280	T	94	Very high	93.8	Very high	100 Å²	100	52.9 Å²	52.9	61%	0.613	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-54	-34.2	177.9	-47.6	0	0	0	0	113	L282 T283	T280-L282 PolarHBondContact O-N 3.06Å; T280-L282 VanDerWaalsContact O-N 3.14Å; T280-T283 WeakPolarHBondContact O-CB 3.37Å; T280-T283 PolarHBondContact O-N 2.62Å; T280-T283 VanDerWaalsContact O-N 3.07Å
281	A	95.1	Very high	94.1	Very high	97 Å²	97	56.9 Å²	56.9	80%	0.802	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-64.1	-14.9	175.5	0	0	0	0	0	114.5	K279	K279-A281 PolarHBondContact O-N 3.4Å; K279-A281 VanDerWaalsContact O-N 3.12Å
282	L	95.5	Very high	94.3	Very high	79 Å²	79	61.1 Å²	61.1	41%	0.414	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-100.6	-8.5	176	-58.7	-178.6	0	0	0	112.8	K279 T280 K284	K279-L282 HydrophobicContact CB-CB 4.5Å; K279-L282 HydrophobicContact CB-CD1 4.12Å; K279-L282 HydrophobicContact CB-CG 4.05Å; K279-L282 HydrophobicContact CD-CD1 4.27Å; K279-L282 WeakPolarHBondContact O-CA 3.43Å; K279-L282 WeakPolarHBondContact O-CB 3.09Å; K279-L282 PolarHBondContact O-N 3.47Å; T280-L282 PolarHBondContact O-N 3.06Å; T280-L282 VanDerWaalsContact O-N 3.14Å; L282-K284 PolarHBondContact O-N 2.8Å
283	T	96.7	Very high	94.5	Very high	23 Å²	23	68.5 Å²	68.5	14%	0.141	35%	0.353	C	S	.	.			trans	-67.7	129.3	171.7	-59.2	0	0	0	0	109.3	T280 E299 M300 M301 E423	T280-T283 WeakPolarHBondContact O-CB 3.37Å; T280-T283 PolarHBondContact O-N 2.62Å; T280-T283 VanDerWaalsContact O-N 3.07Å; T283-E299 HydrophobicContact CG2-CB 3.87Å; T283-M300 VanDerWaalsContact CA-O 3.31Å; T283-M300 WeakPolarHBondContact CA-O 3.36Å; T283-M301 HydrophobicContact CG2-CG 4.46Å; T283-E423 WeakPolarHBondContact CB-OE1 3.15Å; T283-E423 WeakPolarHBondContact CG2-OE1 3.48Å; T283-E423 WeakPolarHBondContact OG1-CG 3.15Å; T283-E423 PolarHBondContact OG1-OE1 2.99Å
284	K	97	Very high	94.6	Very high	124 Å²	124	71.3 Å²	71.3	54%	0.539	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148.8	-178.2	-67.8	-179.6	-178.8	178.1	0	111	L282 T286 M300	L282-K284 PolarHBondContact O-N 2.8Å; K284-T286 HydrophobicContact CB-CG2 4.5Å; K284-T286 PolarHBondContact O-N 2.9Å; K284-M300 PolarHBondContact N-O 3.43Å; K284-M300 WeakPolarHBondContact O-CB 3.19Å; K284-M300 PolarHBondContact O-N 3.14Å
285	K	98	Very high	94.7	Very high	165 Å²	165	77 Å²	77	72%	0.717	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	122.8	167.4	-73.1	-174.7	180	-176.5	0	109.4	T297 V298	K285-T297 HydrophobicContact CB-CG2 3.65Å; K285-T297 HydrophobicContact CD-CG2 4.08Å; K285-T297 HydrophobicContact CG-CG2 3.99Å; K285-V298 WeakPolarHBondContact CA-O 3.33Å
286	T	97.1	Very high	94.9	Very high	41 Å²	41	74.2 Å²	74.2	25%	0.252	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	161.5	176.7	67.2	0	0	0	0	110.6	K284 T297 V298 M300	K284-T286 HydrophobicContact CB-CG2 4.5Å; K284-T286 PolarHBondContact O-N 2.9Å; T286-T297 WeakPolarHBondContact O-CA 3.29Å; T286-V298 PolarHBondContact N-O 3.38Å; T286-V298 PolarHBondContact O-N 2.93Å; T286-M300 HydrophobicContact CG2-CB 3.78Å; T286-M300 HydrophobicContact CG2-CG 4.31Å; T286-M300 VanDerWaalsContact OG1-CB 3.24Å; T286-M300 WeakPolarHBondContact OG1-CB 3.31Å; T286-M300 WeakPolarHBondContact OG1-CE 3.48Å
287	T	97.2	Very high	95	Very high	55 Å²	55	78.7 Å²	78.7	34%	0.337	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	138.4	171.5	-53.7	0	0	0	0	110.5	Y289 E295 K296	T287-Y289 HydrophobicContact CG2-CD1 4.31Å; T287-Y289 HydrophobicContact CG2-CE1 3.93Å; T287-E295 HydrophobicContact CG2-CB 3.84Å; T287-E295 HydrophobicContact CG2-CG 4.29Å; T287-E295 WeakPolarHBondContact CG2-OE2 3.23Å; T287-K296 CarbonylContact C-O 3.5Å
288	F	97.7	Very high	95.2	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.6	166.9	-173.8	-84.2	0	0	0	108.6	V290 E295 K296 V298 P369 A453 D454 H455 F457 Y475 Y476	F288-V290 HydrophobicContact CD1-CG2 4.08Å; F288-V290 PolarHBondContact O-N 3.33Å; F288-E295 CarbonylContact O-C 3.47Å; F288-E295 VanDerWaalsContact O-CA 3.28Å; F288-E295 WeakPolarHBondContact O-CA 3.34Å; F288-K296 HydrophobicContact CB-CG 4.44Å; F288-K296 PolarHBondContact N-O 3.21Å; F288-K296 PolarHBondContact O-N 3.17Å; F288-V298 HydrophobicContact CB-CB 4.39Å; F288-V298 HydrophobicContact CB-CG1 3.67Å; F288-V298 HydrophobicContact CB-CG2 3.81Å; F288-V298 HydrophobicContact CD2-CG2 4.48Å; F288-V298 HydrophobicContact CG-CG1 4.24Å; F288-P369 HydrophobicContact CE2-CG 4.47Å; F288-A453 WeakPolarHBondContact CE2-O 3.4Å; F288-D454 CarbonylContact C-O 3.46Å; F288-D454 VanDerWaalsContact CA-O 3.28Å; F288-D454 WeakPolarHBondContact CA-O 3.49Å; F288-D454 VanDerWaalsContact CD2-C 3.46Å; F288-H455 WeakPolarHBondContact CE2-O 3.47Å; F288-H455 WeakPolarHBondContact CZ-O 3.36Å; F288-F457 HydrophobicContact CE2-CD1 4.46Å; F288-F457 HydrophobicContact CE2-CE1 4.13Å; F288-Y475 HydrophobicContact CD2-CE1 4.05Å; F288-Y475 HydrophobicContact CE1-CD1 4.42Å; F288-Y475 HydrophobicContact CE1-CE1 4.42Å; F288-Y475 AromaticContact CE2-CD1 3.64Å; F288-Y475 HydrophobicContact CE2-CD1 3.64Å; F288-Y475 AromaticContact CE2-CE1 3.61Å; F288-Y475 HydrophobicContact CE2-CE1 3.61Å; F288-Y475 AromaticContact CZ-CD1 3.57Å; F288-Y475 HydrophobicContact CZ-CD1 3.57Å; F288-Y475 AromaticContact CZ-CE1 3.81Å; F288-Y475 HydrophobicContact CZ-CE1 3.81Å; F288-Y476 VanDerWaalsContact CE1-C 3.4Å
289	Y	96.7	Very high	95.3	Very high	67 Å²	67	80.9 Å²	80.9	26%	0.263	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	103.5	-178.8	-52.8	-81.2	0	0	0	109.1	T287 E295 K337 D454 P456	T287-Y289 HydrophobicContact CG2-CD1 4.31Å; T287-Y289 HydrophobicContact CG2-CE1 3.93Å; Y289-E295 HydrophobicContact CD1-CB 4.45Å; Y289-K337 HydrophobicContact CD1-CD 4.1Å; Y289-K337 HydrophobicContact CD2-CD 3.77Å; Y289-K337 HydrophobicContact CD2-CG 4.36Å; Y289-K337 VanDerWaalsContact CD2-NZ 3.29Å; Y289-K337 VanDerWaalsContact CE1-NZ 3.26Å; Y289-K337 HydrophobicContact CE2-CD 4.49Å; Y289-K337 HydrophobicContact CG-CD 3.56Å; Y289-K337 HydrophobicContact CG-CG 4.3Å; Y289-D454 HydrophobicContact CD2-CB 4.43Å; Y289-D454 VanDerWaalsContact CD2-O 3.23Å; Y289-D454 WeakPolarHBondContact CD2-O 3.33Å; Y289-D454 HydrophobicContact CE2-CB 4.42Å; Y289-D454 PolarHBondContact N-O 2.76Å; Y289-P456 VanDerWaalsContact O-CD 3.29Å; Y289-P456 WeakPolarHBondContact O-CD 3.49Å
290	V	94.6	Very high	95.5	Very high	3 Å²	3	76.3 Å²	76.3	2%	0.018	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-52.8	-173.7	177.2	0	0	0	0	111.1	F288 E294 K296 P456 Y476	F288-V290 HydrophobicContact CD1-CG2 4.08Å; F288-V290 PolarHBondContact O-N 3.33Å; V290-E294 HydrophobicContact CB-CB 4.23Å; V290-E294 HydrophobicContact CB-CG 4.02Å; V290-E294 HydrophobicContact CG1-CG 4.43Å; V290-E294 HydrophobicContact CG2-CG 4.39Å; V290-E294 PolarHBondContact N-O 2.75Å; V290-K296 HydrophobicContact CG2-CD 3.91Å; V290-K296 HydrophobicContact CG2-CG 3.96Å; V290-P456 VanDerWaalsContact O-CG 3.22Å; V290-P456 WeakPolarHBondContact O-CG 3.44Å; V290-Y476 WeakPolarHBondContact CG1-O 3.43Å; V290-Y476 WeakPolarHBondContact CG2-O 3.34Å
291	K	92.1	Very high	95.6	Very high	86 Å²	86	71.5 Å²	71.5	37%	0.374	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	-178.6	175.9	60.5	170	-172.9	-100.5	0	109	D293 E294 F338	K291-D293 PolarHBondContact O-N 3.07Å; K291-E294 WeakPolarHBondContact CE-OE2 3.39Å; K291-E294 HydrophobicContact CG-CB 3.66Å; K291-E294 PolarHBondContact N-O 2.87Å; K291-E294 IonicContact NZ-OE2 3.78Å; K291-E294 PolarHBondContact NZ-OE2 2.79Å; K291-E294 PolarHBondContact O-N 3.14Å; K291-E294 VanDerWaalsContact O-O 3.09Å; K291-F338 VanDerWaalsContact CA-CE1 3.43Å; K291-F338 WeakPolarHBondContact O-CE1 3.46Å; K291-F338 WeakPolarHBondContact O-CZ 3.4Å
292	Q	90.5	Very high	95.7	Very high	143 Å²	143	68.6 Å²	68.6	67%	0.668	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	127.5	174.3	-171.2	170.7	-9.6	0	0	109.5	E294 F338	Q292-E294 PolarHBondContact O-N 2.84Å; Q292-F338 HydrophobicContact CB-CE2 4.3Å
293	D	90.6	Very high	95.7	Very high	160 Å²	160	66 Å²	66	86%	0.856	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	13.7	-178.9	-45.5	-43.5	0	0	0	116	K291	K291-D293 PolarHBondContact O-N 3.07Å
294	E	94.4	Very high	95.6	Very high	75 Å²	75	70 Å²	70	35%	0.35	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.1	173.7	-169.6	-175.8	148.7	0	0	111.3	V290 K291 Q292	V290-E294 HydrophobicContact CB-CB 4.23Å; V290-E294 HydrophobicContact CB-CG 4.02Å; V290-E294 HydrophobicContact CG1-CG 4.43Å; V290-E294 HydrophobicContact CG2-CG 4.39Å; V290-E294 PolarHBondContact N-O 2.75Å; K291-E294 WeakPolarHBondContact CE-OE2 3.39Å; K291-E294 HydrophobicContact CG-CB 3.66Å; K291-E294 PolarHBondContact N-O 2.87Å; K291-E294 IonicContact NZ-OE2 3.78Å; K291-E294 PolarHBondContact NZ-OE2 2.79Å; K291-E294 PolarHBondContact O-N 3.14Å; K291-E294 VanDerWaalsContact O-O 3.09Å; Q292-E294 PolarHBondContact O-N 2.84Å
295	E	94.8	Very high	95.5	Very high	125 Å²	125	68.4 Å²	68.4	58%	0.584	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	160.7	174.6	64.7	177.1	-156.8	0	0	111	T287 F288 Y289	T287-E295 HydrophobicContact CG2-CB 3.84Å; T287-E295 HydrophobicContact CG2-CG 4.29Å; T287-E295 WeakPolarHBondContact CG2-OE2 3.23Å; F288-E295 CarbonylContact O-C 3.47Å; F288-E295 VanDerWaalsContact O-CA 3.28Å; F288-E295 WeakPolarHBondContact O-CA 3.34Å; Y289-E295 HydrophobicContact CD1-CB 4.45Å
296	K	94.7	Very high	95.4	Very high	56 Å²	56	65.8 Å²	65.8	24%	0.243	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	164	172.4	65.5	-173.6	159.1	-140.1	0	112.2	T287 F288 V290 V298 Y476 G477	T287-K296 CarbonylContact C-O 3.5Å; F288-K296 HydrophobicContact CB-CG 4.44Å; F288-K296 PolarHBondContact N-O 3.21Å; F288-K296 PolarHBondContact O-N 3.17Å; V290-K296 HydrophobicContact CG2-CD 3.91Å; V290-K296 HydrophobicContact CG2-CG 3.96Å; K296-V298 HydrophobicContact CG-CG1 4.22Å; K296-Y476 PolarHBondContact NZ-O 3.49Å; K296-G477 WeakPolarHBondContact CE-O 3.31Å; K296-G477 PolarHBondContact NZ-O 3.07Å
297	T	96.7	Very high	95.3	Very high	97 Å²	97	64 Å²	64	60%	0.595	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	127.7	173	-52.2	0	0	0	0	110.8	K285 T286	K285-T297 HydrophobicContact CB-CG2 3.65Å; K285-T297 HydrophobicContact CD-CG2 4.08Å; K285-T297 HydrophobicContact CG-CG2 3.99Å; T286-T297 WeakPolarHBondContact O-CA 3.29Å
298	V	96.9	Very high	95.3	Very high	12 Å²	12	61.7 Å²	61.7	7%	0.073	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	156.7	172.2	-59.6	0	0	0	0	110.4	K285 T286 F288 K296 M300 P369	K285-V298 WeakPolarHBondContact CA-O 3.33Å; T286-V298 PolarHBondContact N-O 3.38Å; T286-V298 PolarHBondContact O-N 2.93Å; F288-V298 HydrophobicContact CB-CB 4.39Å; F288-V298 HydrophobicContact CB-CG1 3.67Å; F288-V298 HydrophobicContact CB-CG2 3.81Å; F288-V298 HydrophobicContact CD2-CG2 4.48Å; F288-V298 HydrophobicContact CG-CG1 4.24Å; K296-V298 HydrophobicContact CG-CG1 4.22Å; V298-M300 HydrophobicContact CG2-CE 4.13Å; V298-M300 PolarHBondContact O-N 3.12Å; V298-P369 HydrophobicContact CB-CB 4.43Å; V298-P369 HydrophobicContact CG2-CB 4.12Å
299	E	96.9	Very high	95.3	Very high	92 Å²	92	61.7 Å²	61.7	43%	0.43	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	113.2	166.9	-65.7	-168.2	125.6	0	0	109.1	T283 P369 K370	T283-E299 HydrophobicContact CG2-CB 3.87Å; E299-P369 CarbonylContact O-C 3.59Å; E299-P369 WeakPolarHBondContact O-CA 3.47Å; E299-K370 HydrophobicContact CB-CB 4.19Å; E299-K370 PolarHBondContact O-N 2.8Å
300	M	97.9	Very high	95.3	Very high	2 Å²	2	59 Å²	59	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	113.2	-176.8	-173.6	68.2	71.3	0	0	110.1	T283 K284 T286 V298 Q302 H367 I368 P369 D454	T283-M300 VanDerWaalsContact CA-O 3.31Å; T283-M300 WeakPolarHBondContact CA-O 3.36Å; K284-M300 PolarHBondContact N-O 3.43Å; K284-M300 WeakPolarHBondContact O-CB 3.19Å; K284-M300 PolarHBondContact O-N 3.14Å; T286-M300 HydrophobicContact CG2-CB 3.78Å; T286-M300 HydrophobicContact CG2-CG 4.31Å; T286-M300 VanDerWaalsContact OG1-CB 3.24Å; T286-M300 WeakPolarHBondContact OG1-CB 3.31Å; T286-M300 WeakPolarHBondContact OG1-CE 3.48Å; V298-M300 HydrophobicContact CG2-CE 4.13Å; V298-M300 PolarHBondContact O-N 3.12Å; M300-Q302 HydrophobicContact CG-CG 4.37Å; M300-H367 HydrophobicContact CG-CB 3.85Å; M300-H367 HydrophobicContact SD-CB 3.83Å; M300-I368 PolarHBondContact SD-N 2.84Å; M300-I368 VanDerWaalsContact SD-N 3.35Å; M300-P369 VanDerWaalsContact SD-N 3.4Å; M300-D454 HydrophobicContact CE-CB 4.5Å
301	M	97.5	Very high	95.3	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	141.4	175.8	-49.6	-179.6	-66.8	0	0	109.5	F278 T283 H367 I368 K370 I421 E423	F278-M301 HydrophobicContact CB-CB 4.19Å; F278-M301 HydrophobicContact CD1-CB 3.65Å; F278-M301 HydrophobicContact CD2-CB 4.41Å; F278-M301 HydrophobicContact CD2-CE 4.43Å; F278-M301 HydrophobicContact CD2-SD 4.36Å; F278-M301 HydrophobicContact CE1-CB 4.06Å; F278-M301 HydrophobicContact CE2-CE 4.31Å; F278-M301 HydrophobicContact CG-CB 3.84Å; T283-M301 HydrophobicContact CG2-CG 4.46Å; M301-H367 VanDerWaalsContact O-CA 3.3Å; M301-H367 WeakPolarHBondContact O-CA 3.21Å; M301-I368 WeakPolarHBondContact CB-O 3.43Å; M301-I368 HydrophobicContact CE-CB 4.25Å; M301-I368 HydrophobicContact CE-CG2 4.05Å; M301-I368 PolarHBondContact N-O 3.38Å; M301-I368 PolarHBondContact O-N 3.45Å; M301-K370 HydrophobicContact CG-CB 4.17Å; M301-K370 HydrophobicContact SD-CB 4.24Å; M301-I421 HydrophobicContact CE-CG2 3.83Å; M301-E423 HydrophobicContact CG-CG 3.93Å; M301-E423 VanDerWaalsContact SD-CA 3.55Å; M301-E423 HydrophobicContact SD-CB 4.34Å; M301-E423 HydrophobicContact SD-CG 3.89Å; M301-E423 PolarHBondContact SD-N 2.96Å
302	Q	97	Very high	95.4	Very high	35 Å²	35	61.7 Å²	61.7	16%	0.164	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.3	-171.5	-48.2	-175.8	0.9	0	0	112.4	M300 V366 H367	M300-Q302 HydrophobicContact CG-CG 4.37Å; Q302-V366 VanDerWaalsContact CA-O 3.27Å; Q302-V366 WeakPolarHBondContact CA-O 3.46Å; Q302-H367 WeakPolarHBondContact CG-ND1 3.45Å; Q302-H367 PolarHBondContact NE2-ND1 2.7Å; Q302-H367 PolarHBondContact OE1-CE1 2.7Å; Q302-H367 VanDerWaalsContact OE1-CE1 3.29Å
303	M	95.2	Very high	95.5	Very high	24 Å²	24	62.4 Å²	62.4	12%	0.118	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	156.9	170.8	70.2	-170.7	-55.6	0	0	112.4	A276 F278 K305 F307 V366	A276-M303 HydrophobicContact CB-CE 4.11Å; F278-M303 HydrophobicContact CD1-CB 3.99Å; F278-M303 HydrophobicContact CD1-CG 3.77Å; F278-M303 HydrophobicContact CD1-SD 3.72Å; F278-M303 HydrophobicContact CD2-SD 4.23Å; F278-M303 HydrophobicContact CE1-CB 4.28Å; F278-M303 HydrophobicContact CE1-CG 3.6Å; F278-M303 HydrophobicContact CE1-SD 3.68Å; F278-M303 HydrophobicContact CE2-SD 4.17Å; F278-M303 HydrophobicContact CG-SD 4.01Å; F278-M303 HydrophobicContact CZ-CG 4.31Å; F278-M303 HydrophobicContact CZ-SD 3.9Å; M303-K305 HydrophobicContact CE-CB 3.94Å; M303-K305 HydrophobicContact CE-CD 3.62Å; M303-K305 HydrophobicContact CE-CG 4.41Å; M303-F307 HydrophobicContact CE-CE2 4.22Å; M303-F307 HydrophobicContact CE-CZ 4.01Å; M303-F307 HydrophobicContact CG-CE2 4.1Å; M303-F307 HydrophobicContact SD-CE2 3.66Å; M303-F307 HydrophobicContact SD-CZ 3.72Å; M303-V366 HydrophobicContact CG-CB 4.34Å; M303-V366 PolarHBondContact N-O 2.84Å; M303-V366 PolarHBondContact O-N 3.18Å
304	N	95.1	Very high	95.8	Very high	107 Å²	107	58.5 Å²	58.5	57%	0.572	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	116.2	168.7	-67	-48.8	0	0	0	108.4	V364 E365	N304-V364 WeakPolarHBondContact CA-O 3.34Å; N304-E365 WeakPolarHBondContact OD1-CA 3.45Å; N304-E365 WeakPolarHBondContact OD1-CB 3.49Å; N304-E365 WeakPolarHBondContact OD1-CG 3.32Å
305	K	94.1	Very high	95.9	Very high	91 Å²	91	55.3 Å²	55.3	40%	0.396	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	165	-179.3	-164.3	159.7	-176.7	161.8	0	112.2	A276 M303 F307 V364	A276-K305 HydrophobicContact CB-CD 3.5Å; A276-K305 VanDerWaalsContact CB-CE 3.48Å; M303-K305 HydrophobicContact CE-CB 3.94Å; M303-K305 HydrophobicContact CE-CD 3.62Å; M303-K305 HydrophobicContact CE-CG 4.41Å; K305-F307 HydrophobicContact CB-CD2 4.2Å; K305-F307 HydrophobicContact CB-CE2 3.75Å; K305-F307 HydrophobicContact CB-CZ 4.1Å; K305-F307 HydrophobicContact CD-CZ 4.13Å; K305-F307 HydrophobicContact CG-CE2 4.41Å; K305-F307 HydrophobicContact CG-CZ 4.31Å; K305-V364 PolarHBondContact N-O 3.35Å; K305-V364 VanDerWaalsContact N-O 3.15Å; K305-V364 PolarHBondContact O-N 2.67Å
306	E	95	Very high	96.1	Very high	110 Å²	110	50.7 Å²	50.7	51%	0.514	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	122.6	168.2	-57.9	-172.8	165.5	0	0	110.7	R362 Q363	E306-R362 VanDerWaalsContact CA-O 3.24Å; E306-R362 WeakPolarHBondContact CA-O 3.41Å; E306-Q363 HydrophobicContact CG-CG 3.78Å; E306-Q363 PolarHBondContact OE1-NE2 2.71Å; E306-Q363 VanDerWaalsContact OE1-NE2 3.09Å
307	F	95.6	Very high	96.3	Very high	3 Å²	3	48 Å²	48	1%	0.013	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.4	173.8	-71.4	-53.9	0	0	0	110.2	A276 M303 K305 Y309 L318 G319 I320 P321 E361 R362 V366	A276-F307 HydrophobicContact CB-CE1 4.21Å; A276-F307 HydrophobicContact CB-CZ 4.09Å; M303-F307 HydrophobicContact CE-CE2 4.22Å; M303-F307 HydrophobicContact CE-CZ 4.01Å; M303-F307 HydrophobicContact CG-CE2 4.1Å; M303-F307 HydrophobicContact SD-CE2 3.66Å; M303-F307 HydrophobicContact SD-CZ 3.72Å; K305-F307 HydrophobicContact CB-CD2 4.2Å; K305-F307 HydrophobicContact CB-CE2 3.75Å; K305-F307 HydrophobicContact CB-CZ 4.1Å; K305-F307 HydrophobicContact CD-CZ 4.13Å; K305-F307 HydrophobicContact CG-CE2 4.41Å; K305-F307 HydrophobicContact CG-CZ 4.31Å; F307-Y309 PolarHBondContact O-N 3.12Å; F307-Y309 VanDerWaalsContact O-N 3.12Å; F307-L318 HydrophobicContact CB-CD1 3.81Å; F307-L318 HydrophobicContact CD2-CD1 4.49Å; F307-L318 HydrophobicContact CG-CD1 4.5Å; F307-G319 WeakPolarHBondContact CB-O 3.42Å; F307-I320 HydrophobicContact CD1-CG2 4.45Å; F307-I320 HydrophobicContact CE1-CG2 3.92Å; F307-I320 HydrophobicContact CZ-CG2 4.07Å; F307-P321 HydrophobicContact CD1-CG 4.37Å; F307-P321 HydrophobicContact CE1-CG 4.36Å; F307-E361 WeakPolarHBondContact CA-OE2 3.47Å; F307-E361 PolarHBondContact N-OE2 2.99Å; F307-E361 WeakPolarHBondContact O-CA 3.31Å; F307-R362 PolarHBondContact N-O 3.1Å; F307-R362 PolarHBondContact O-N 2.84Å; F307-V366 HydrophobicContact CD2-CG2 3.91Å; F307-V366 HydrophobicContact CE2-CG2 4.3Å
308	P	96.4	Very high	96.4	Very high	7 Å²	7	43.4 Å²	43.4	5%	0.045	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	117.4	165.3	-28.5	35.4	0	0	0	111.4	L318 G319 L328 A359 I360 E361	P308-L318 CarbonylContact O-C 3.54Å; P308-L318 WeakPolarHBondContact O-CA 3.22Å; P308-G319 VanDerWaalsContact CD-O 3.24Å; P308-G319 WeakPolarHBondContact CD-O 3.47Å; P308-G319 PolarHBondContact O-N 3.25Å; P308-L328 HydrophobicContact CB-CD2 4.49Å; P308-L328 HydrophobicContact CG-CD2 4.31Å; P308-A359 HydrophobicContact CB-CB 3.85Å; P308-I360 CarbonylContact C-O 3.57Å; P308-I360 WeakPolarHBondContact CA-O 3.42Å; P308-E361 WeakPolarHBondContact CD-OE1 3.11Å; P308-E361 WeakPolarHBondContact CD-OE2 3.44Å; P308-E361 WeakPolarHBondContact CG-OE1 3.26Å
309	Y	97.9	Very high	96.4	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.7	177.8	176.2	-86.4	0	0	0	111.5	F307 E311 Q316 I317 I360 V364 P449 F451	F307-Y309 PolarHBondContact O-N 3.12Å; F307-Y309 VanDerWaalsContact O-N 3.12Å; Y309-E311 HydrophobicContact CE1-CB 4.05Å; Y309-E311 PolarHBondContact OH-OE2 2.84Å; Y309-Q316 HydrophobicContact CE2-CB 4.35Å; Y309-Q316 PolarHBondContact OH-NE2 2.87Å; Y309-I317 VanDerWaalsContact CA-O 3.27Å; Y309-I317 WeakPolarHBondContact CA-O 3.47Å; Y309-I317 WeakPolarHBondContact CD2-O 3.28Å; Y309-I360 PolarHBondContact N-O 3.06Å; Y309-I360 PolarHBondContact O-N 3.43Å; Y309-V364 HydrophobicContact CD2-CG1 4.11Å; Y309-V364 HydrophobicContact CD2-CG2 3.87Å; Y309-V364 HydrophobicContact CE2-CG1 4.46Å; Y309-V364 HydrophobicContact CG-CG2 3.74Å; Y309-P449 HydrophobicContact CD1-CB 4.43Å; Y309-P449 HydrophobicContact CD1-CG 4.07Å; Y309-P449 HydrophobicContact CE1-CB 3.76Å; Y309-P449 HydrophobicContact CE1-CG 3.88Å; Y309-P449 HydrophobicContact CE2-CB 4.28Å; Y309-F451 HydrophobicContact CD2-CD2 4.43Å; Y309-F451 HydrophobicContact CE2-CB 4.4Å; Y309-F451 HydrophobicContact CE2-CD2 4.1Å
310	S	96.6	Very high	96.3	Very high	10 Å²	10	38.4 Å²	38.4	7%	0.07	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	167.2	166.2	58.4	0	0	0	0	110.4	I317 S358	S310-I317 PolarHBondContact N-O 3.02Å; S310-I317 PolarHBondContact O-N 3.11Å; S310-I317 WeakPolarHBondContact OG-CB 3.42Å; S310-S358 WeakPolarHBondContact CB-O 3.34Å; S310-S358 WeakPolarHBondContact CB-OG 3.43Å; S310-S358 PolarHBondContact OG-OG 2.96Å
311	E	95.4	Very high	96.1	Very high	96 Å²	96	39.2 Å²	39.2	45%	0.449	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	132.8	-179.4	-172.6	171.4	167.8	0	0	108.7	Y309 Y315 Q316 K335	Y309-E311 HydrophobicContact CE1-CB 4.05Å; Y309-E311 PolarHBondContact OH-OE2 2.84Å; E311-Y315 WeakPolarHBondContact CA-O 3.3Å; E311-Q316 HydrophobicContact CG-CG 4.13Å; E311-K335 VanDerWaalsContact CG-CE 3.47Å; E311-K335 WeakPolarHBondContact OE1-CE 3.34Å; E311-K335 IonicContact OE1-NZ 2.92Å; E311-K335 PolarHBondContact OE1-NZ 3.41Å
312	T	93.7	Very high	95.8	Very high	50 Å²	50	39.3 Å²	39.3	31%	0.307	20%	0.198	S	C	.	.			trans	-105.4	-179.2	169.8	63	0	0	0	0	108.5	E314 Y315 I317 K335 L355	T312-E314 PolarHBondContact O-N 2.79Å; T312-E314 PolarHBondContact OG1-N 3.06Å; T312-Y315 PolarHBondContact N-O 3.19Å; T312-Y315 PolarHBondContact OG1-N 3.37Å; T312-Y315 PolarHBondContact OG1-O 3.43Å; T312-I317 HydrophobicContact CG2-CD1 4.38Å; T312-K335 WeakPolarHBondContact O-CE 3.49Å; T312-K335 PolarHBondContact O-NZ 2.84Å; T312-L355 HydrophobicContact CG2-CD2 4.11Å
313	D	93.6	Very high	95.4	Very high	157 Å²	157	40.4 Å²	40.4	84%	0.84	21%	0.206	S	C	*	.	S	Bend	trans	-64.2	-26.6	172.9	-65.4	-28.2	0	0	0	112.4	K335	D313-K335 WeakPolarHBondContact O-CD 3.33Å
314	E	95.8	Very high	94.7	Very high	79 Å²	79	40.3 Å²	40.3	37%	0.369	21%	0.207	S	C	.	.	S	Bend	trans	-105.4	-27.3	-174.1	-63.2	-176.1	-106.7	0	0	114.4	T312 K335 K346	T312-E314 PolarHBondContact O-N 2.79Å; T312-E314 PolarHBondContact OG1-N 3.06Å; E314-K335 PolarHBondContact O-N 2.77Å; E314-K346 IonicContact OE1-NZ 2.9Å; E314-K346 IonicContact OE2-NZ 3.78Å; E314-K346 PolarHBondContact OE2-NZ 2.95Å
315	Y	97.7	Very high	93.8	Very high	8 Å²	8	41.3 Å²	41.3	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.6	-167.7	-37.4	-58.8	0	0	0	112.5	E311 T312 V332 L333 P334 M343 L355	E311-Y315 WeakPolarHBondContact CA-O 3.3Å; T312-Y315 PolarHBondContact N-O 3.19Å; T312-Y315 PolarHBondContact OG1-N 3.37Å; T312-Y315 PolarHBondContact OG1-O 3.43Å; Y315-V332 HydrophobicContact CG-CG1 4.38Å; Y315-L333 CarbonylContact C-O 3.59Å; Y315-L333 WeakPolarHBondContact CA-O 3.44Å; Y315-P334 HydrophobicContact CD1-CB 4.48Å; Y315-M343 HydrophobicContact CD1-CB 4.36Å; Y315-M343 HydrophobicContact CD1-CG 3.86Å; Y315-M343 HydrophobicContact CD1-SD 3.65Å; Y315-M343 HydrophobicContact CE1-CB 3.69Å; Y315-M343 HydrophobicContact CE1-CG 3.46Å; Y315-M343 VanDerWaalsContact CE1-CG 3.46Å; Y315-M343 HydrophobicContact CE1-SD 3.91Å; Y315-M343 HydrophobicContact CE2-CG 4.41Å; Y315-M343 HydrophobicContact CG-SD 4.19Å; Y315-L355 HydrophobicContact CD2-CD2 4.12Å
316	Q	98.5	Very high	93.2	Very high	27 Å²	27	41.5 Å²	41.5	13%	0.126	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.6	161.3	-59.2	179.5	-89	0	0	109.3	Y309 E311 V332 L333 K335 K450 F451	Y309-Q316 HydrophobicContact CE2-CB 4.35Å; Y309-Q316 PolarHBondContact OH-NE2 2.87Å; E311-Q316 HydrophobicContact CG-CG 4.13Å; Q316-V332 WeakPolarHBondContact O-CA 3.24Å; Q316-L333 HydrophobicContact CB-CB 4.43Å; Q316-L333 PolarHBondContact N-O 2.77Å; Q316-L333 PolarHBondContact O-N 2.84Å; Q316-K335 HydrophobicContact CG-CG 4.47Å; Q316-K450 PolarHBondContact NE2-O 3.41Å; Q316-F451 HydrophobicContact CB-CD2 3.76Å; Q316-F451 HydrophobicContact CB-CE2 3.75Å
317	I	98.4	Very high	92.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.3	178.4	-52.8	72.6	0	0	0	107.5	Y309 S310 T312 Y330 F331 V332 L355 A359	Y309-I317 VanDerWaalsContact CA-O 3.27Å; Y309-I317 WeakPolarHBondContact CA-O 3.47Å; Y309-I317 WeakPolarHBondContact CD2-O 3.28Å; S310-I317 PolarHBondContact N-O 3.02Å; S310-I317 PolarHBondContact O-N 3.11Å; S310-I317 WeakPolarHBondContact OG-CB 3.42Å; T312-I317 HydrophobicContact CG2-CD1 4.38Å; I317-Y330 HydrophobicContact CG2-CD1 4.15Å; I317-F331 WeakPolarHBondContact CA-O 3.5Å; I317-V332 HydrophobicContact CG1-CG1 4.44Å; I317-L355 HydrophobicContact CD1-CD2 3.8Å; I317-L355 HydrophobicContact CG1-CB 4.15Å; I317-L355 HydrophobicContact CG1-CD2 3.97Å; I317-A359 HydrophobicContact CG2-CB 4.35Å
318	L	98.5	Very high	92.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.9	174.5	176.4	71	0	0	0	109.1	F307 P308 I320 Y330 F331 V364 V366 I368 F451	F307-L318 HydrophobicContact CB-CD1 3.81Å; F307-L318 HydrophobicContact CD2-CD1 4.49Å; F307-L318 HydrophobicContact CG-CD1 4.5Å; P308-L318 CarbonylContact O-C 3.54Å; P308-L318 WeakPolarHBondContact O-CA 3.22Å; L318-I320 HydrophobicContact CD2-CD1 3.98Å; L318-I320 HydrophobicContact CD2-CG1 4.03Å; L318-I320 HydrophobicContact CG-CG1 4.09Å; L318-Y330 CarbonylContact O-C 3.49Å; L318-Y330 VanDerWaalsContact O-CA 3.25Å; L318-Y330 WeakPolarHBondContact O-CA 3.44Å; L318-F331 HydrophobicContact CB-CB 4.44Å; L318-F331 HydrophobicContact CD2-CD2 4.38Å; L318-F331 PolarHBondContact N-O 2.99Å; L318-F331 PolarHBondContact O-N 3.32Å; L318-V364 HydrophobicContact CD1-CG1 4.41Å; L318-V366 HydrophobicContact CD1-CG2 4Å; L318-V366 HydrophobicContact CD2-CB 4.32Å; L318-V366 HydrophobicContact CD2-CG1 3.56Å; L318-V366 HydrophobicContact CD2-CG2 3.8Å; L318-I368 HydrophobicContact CD2-CD1 4.2Å; L318-I368 HydrophobicContact CD2-CG1 4.49Å; L318-F451 HydrophobicContact CB-CD1 4.15Å; L318-F451 HydrophobicContact CB-CD2 3.63Å; L318-F451 HydrophobicContact CB-CE1 4.14Å; L318-F451 HydrophobicContact CB-CE2 3.61Å; L318-F451 HydrophobicContact CB-CG 3.9Å; L318-F451 HydrophobicContact CB-CZ 3.88Å; L318-F451 HydrophobicContact CD2-CB 4.32Å; L318-F451 HydrophobicContact CD2-CD1 3.66Å; L318-F451 HydrophobicContact CD2-CD2 4.49Å; L318-F451 HydrophobicContact CD2-CE1 4.06Å; L318-F451 HydrophobicContact CD2-CG 3.9Å; L318-F451 HydrophobicContact CG-CG 4.45Å
319	G	97	Very high	92.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.7	170.4	0	0	0	0	0	110.6	F307 P308 M329	F307-G319 WeakPolarHBondContact CB-O 3.42Å; P308-G319 VanDerWaalsContact CD-O 3.24Å; P308-G319 WeakPolarHBondContact CD-O 3.47Å; P308-G319 PolarHBondContact O-N 3.25Å; G319-M329 CarbonylContact C-O 3.55Å; G319-M329 WeakPolarHBondContact CA-O 3.42Å
320	I	96	Very high	92.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.4	174.9	-53.3	-175.3	0	0	0	108.6	W274 F278 F307 L318 M329 F331 V366 I368	W274-I320 HydrophobicContact CD2-CG2 4.01Å; W274-I320 HydrophobicContact CE3-CB 4.13Å; W274-I320 HydrophobicContact CE3-CG2 3.45Å; W274-I320 VanDerWaalsContact CE3-CG2 3.45Å; W274-I320 HydrophobicContact CZ3-CB 3.92Å; W274-I320 HydrophobicContact CZ3-CG2 3.77Å; F278-I320 HydrophobicContact CE2-CD1 4.31Å; F278-I320 HydrophobicContact CZ-CD1 3.93Å; F307-I320 HydrophobicContact CD1-CG2 4.45Å; F307-I320 HydrophobicContact CE1-CG2 3.92Å; F307-I320 HydrophobicContact CZ-CG2 4.07Å; L318-I320 HydrophobicContact CD2-CD1 3.98Å; L318-I320 HydrophobicContact CD2-CG1 4.03Å; L318-I320 HydrophobicContact CG-CG1 4.09Å; I320-M329 PolarHBondContact N-O 3.46Å; I320-M329 PolarHBondContact O-N 3.45Å; I320-F331 HydrophobicContact CD1-CD2 4.43Å; I320-F331 HydrophobicContact CD1-CE2 3.8Å; I320-F331 HydrophobicContact CG1-CD2 4.45Å; I320-F331 HydrophobicContact CG1-CE2 4.04Å; I320-V366 HydrophobicContact CD1-CG1 4.23Å; I320-I368 HydrophobicContact CD1-CG1 4.39Å
321	P	93.9	Very high	92.8	Very high	19 Å²	19	35.9 Å²	35.9	12%	0.123	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	139.4	179.2	27	-31	0	0	0	112.3	K275 F307 L328	K275-P321 HydrophobicContact CB-CB 4.23Å; K275-P321 HydrophobicContact CB-CG 4.13Å; K275-P321 WeakPolarHBondContact CB-O 3.24Å; K275-P321 HydrophobicContact CD-CB 4.44Å; K275-P321 HydrophobicContact CD-CG 4.4Å; K275-P321 PolarHBondContact N-O 2.93Å; F307-P321 HydrophobicContact CD1-CG 4.37Å; F307-P321 HydrophobicContact CE1-CG 4.36Å; P321-L328 HydrophobicContact CB-CD1 3.65Å; P321-L328 HydrophobicContact CG-CD1 4.37Å
322	Y	91.2	Very high	93	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.008	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-79.8	165.9	164.2	-68.4	-76.3	0	0	0	110.8	F270 A272 D273 W274 T324 L327 M329 I461	F270-Y322 HydrophobicContact CE1-CE1 4.14Å; F270-Y322 HydrophobicContact CE1-CE2 4.15Å; F270-Y322 AromaticContact CE1-CZ 3.71Å; F270-Y322 HydrophobicContact CZ-CD2 4.23Å; F270-Y322 HydrophobicContact CZ-CE1 4.19Å; F270-Y322 AromaticContact CZ-CE2 3.81Å; F270-Y322 HydrophobicContact CZ-CE2 3.81Å; F270-Y322 AromaticContact CZ-CZ 3.79Å; A272-Y322 HydrophobicContact CB-CD1 3.33Å; A272-Y322 HydrophobicContact CB-CE1 3.72Å; A272-Y322 HydrophobicContact CB-CG 3.81Å; A272-Y322 WeakPolarHBondContact O-CD1 3.16Å; A272-Y322 VanDerWaalsContact O-CE1 3.31Å; A272-Y322 WeakPolarHBondContact O-CE1 3.24Å; D273-Y322 CarbonylContact O-C 3.05Å; D273-Y322 VanDerWaalsContact O-CA 3.25Å; D273-Y322 WeakPolarHBondContact O-CA 3.39Å; D273-Y322 WeakPolarHBondContact O-CB 3.34Å; D273-Y322 WeakPolarHBondContact O-CD1 3.3Å; W274-Y322 HydrophobicContact CD2-CD1 4.38Å; W274-Y322 HydrophobicContact CD2-CE1 4.15Å; W274-Y322 AromaticContact CE3-CD1 3.68Å; W274-Y322 HydrophobicContact CE3-CD1 3.68Å; W274-Y322 AromaticContact CE3-CE1 3.54Å; W274-Y322 HydrophobicContact CE3-CE1 3.54Å; W274-Y322 HydrophobicContact CE3-CG 4.29Å; W274-Y322 AromaticContact CH2-CE1 3.73Å; W274-Y322 HydrophobicContact CH2-CE1 3.73Å; W274-Y322 HydrophobicContact CH2-CE2 4.44Å; W274-Y322 AromaticContact CH2-CZ 3.61Å; W274-Y322 WeakPolarHBondContact CH2-OH 3.33Å; W274-Y322 HydrophobicContact CZ2-CE1 4.28Å; W274-Y322 AromaticContact CZ3-CD1 3.84Å; W274-Y322 HydrophobicContact CZ3-CD1 3.84Å; W274-Y322 HydrophobicContact CZ3-CD2 4.32Å; W274-Y322 AromaticContact CZ3-CE1 3.32Å; W274-Y322 HydrophobicContact CZ3-CE1 3.32Å; W274-Y322 AromaticContact CZ3-CE2 3.86Å; W274-Y322 HydrophobicContact CZ3-CE2 3.86Å; W274-Y322 HydrophobicContact CZ3-CG 4.32Å; W274-Y322 AromaticContact CZ3-CZ 3.33Å; Y322-T324 CarbonylContact O-C 3.57Å; Y322-T324 PolarHBondContact O-N 2.87Å; Y322-L327 HydrophobicContact CD2-CB 3.84Å; Y322-L327 PolarHBondContact N-O 2.96Å; Y322-M329 HydrophobicContact CE2-CB 3.8Å; Y322-M329 PolarHBondContact OH-SD 2.93Å; Y322-M329 VanDerWaalsContact OH-SD 3.37Å; Y322-I461 HydrophobicContact CE2-CD1 4.4Å; Y322-I461 HydrophobicContact CE2-CG1 4.26Å; Y322-I461 HydrophobicContact CE2-CG2 4.27Å
323	V	87.4	Confident	93.2	Very high	57 Å²	57	29 Å²	29	35%	0.345	15%	0.146	S	C	.	.	S	Bend	trans	-53.6	-33.7	173.9	-71.5	0	0	0	0	112.1	D186 D273 W274 E325	D186-V323 WeakPolarHBondContact O-CG2 3.29Å; D273-V323 HydrophobicContact CB-CB 4.41Å; D273-V323 HydrophobicContact CB-CG1 3.61Å; D273-V323 HydrophobicContact CB-CG2 3.89Å; D273-V323 WeakPolarHBondContact O-CG2 3.36Å; D273-V323 PolarHBondContact O-N 3.11Å; W274-V323 WeakPolarHBondContact O-CG1 3.41Å; V323-E325 PolarHBondContact O-N 3.15Å
324	T	80.4	Confident	93.4	Very high	23 Å²	23	21.7 Å²	21.7	14%	0.141	11%	0.107	C	C	.	.	S	Bend	trans	-75.2	112.1	164.6	173.9	0	0	0	0	109.4	Y188 Y322 K326 L327	Y188-T324 HydrophobicContact CD1-CG2 4.46Å; Y188-T324 HydrophobicContact CD2-CG2 3.85Å; Y188-T324 HydrophobicContact CE2-CG2 4.25Å; Y188-T324 HydrophobicContact CG-CG2 3.99Å; Y322-T324 CarbonylContact O-C 3.57Å; Y322-T324 PolarHBondContact O-N 2.87Å; T324-K326 PolarHBondContact O-N 3.28Å; T324-L327 HydrophobicContact CG2-CB 3.93Å; T324-L327 HydrophobicContact CG2-CD1 3.85Å; T324-L327 HydrophobicContact CG2-CG 3.76Å; T324-L327 PolarHBondContact O-N 3.27Å; T324-L327 VanDerWaalsContact O-N 3.07Å
325	E	76.7	Confident	93.5	Very high	127 Å²	127	22 Å²	22	59%	0.593	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-8.6	-178.7	-56.5	-159.4	139.5	0	0	114.1	K275 V323 R464	K275-E325 IonicContact NZ-OE1 2.85Å; K275-E325 PolarHBondContact NZ-OE1 3.31Å; V323-E325 PolarHBondContact O-N 3.15Å; E325-R464 PolarHBondContact O-NH2 2.54Å
326	K	82	Confident	93.5	Very high	95 Å²	95	28 Å²	28	41%	0.413	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-31.6	175.9	-59.4	-178.7	-178.9	178.3	0	112.6	T324 R464	T324-K326 PolarHBondContact O-N 3.28Å; K326-R464 PolarHBondContact O-N 3.01Å
327	L	88.6	Confident	93.3	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	133.1	-172.5	-54.6	-173.9	0	0	0	111.8	Y188 F270 Y322 T324 I461 M462 D463 L470	Y188-L327 HydrophobicContact CD2-CD1 4.24Å; Y188-L327 HydrophobicContact CE2-CD1 3.44Å; Y188-L327 VanDerWaalsContact CE2-CD1 3.44Å; F270-L327 HydrophobicContact CE2-CD1 3.58Å; F270-L327 HydrophobicContact CZ-CD1 4.15Å; Y322-L327 HydrophobicContact CD2-CB 3.84Å; Y322-L327 PolarHBondContact N-O 2.96Å; T324-L327 HydrophobicContact CG2-CB 3.93Å; T324-L327 HydrophobicContact CG2-CD1 3.85Å; T324-L327 HydrophobicContact CG2-CG 3.76Å; T324-L327 PolarHBondContact O-N 3.27Å; T324-L327 VanDerWaalsContact O-N 3.07Å; L327-I461 HydrophobicContact CB-CG2 4.44Å; L327-M462 WeakPolarHBondContact CA-O 3.33Å; L327-D463 HydrophobicContact CD2-CB 3.83Å; L327-L470 HydrophobicContact CD1-CD1 4.34Å; L327-L470 HydrophobicContact CD2-CD1 3.6Å
328	L	92.5	Very high	93.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.5	172.7	-151	90.2	0	0	0	109	P308 P321 Y330 M462 R464	P308-L328 HydrophobicContact CB-CD2 4.49Å; P308-L328 HydrophobicContact CG-CD2 4.31Å; P321-L328 HydrophobicContact CB-CD1 3.65Å; P321-L328 HydrophobicContact CG-CD1 4.37Å; L328-Y330 HydrophobicContact CB-CE2 4.1Å; L328-Y330 HydrophobicContact CD2-CD1 4.04Å; L328-Y330 HydrophobicContact CD2-CD2 4.19Å; L328-Y330 HydrophobicContact CD2-CE1 3.43Å; L328-Y330 VanDerWaalsContact CD2-CE1 3.43Å; L328-Y330 HydrophobicContact CD2-CE2 3.62Å; L328-Y330 HydrophobicContact CD2-CG 4.39Å; L328-Y330 WeakPolarHBondContact CD2-OH 3.36Å; L328-Y330 HydrophobicContact CG-CE2 4.43Å; L328-M462 PolarHBondContact N-O 3.19Å; L328-M462 VanDerWaalsContact N-O 3.11Å; L328-M462 PolarHBondContact O-N 2.84Å; L328-R464 HydrophobicContact CB-CG 4.37Å
329	M	96.1	Very high	93	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117.8	167.1	-172.1	159.8	177.3	0	0	109.4	W274 G319 I320 Y322 F331 F371 I421 F459 A460 I461	W274-M329 HydrophobicContact CH2-CB 3.88Å; W274-M329 HydrophobicContact CH2-CG 4.28Å; W274-M329 HydrophobicContact CH2-SD 3.6Å; W274-M329 HydrophobicContact CZ2-SD 4.47Å; W274-M329 HydrophobicContact CZ3-CB 3.81Å; W274-M329 HydrophobicContact CZ3-SD 4.45Å; G319-M329 CarbonylContact C-O 3.55Å; G319-M329 WeakPolarHBondContact CA-O 3.42Å; I320-M329 PolarHBondContact N-O 3.46Å; I320-M329 PolarHBondContact O-N 3.45Å; Y322-M329 HydrophobicContact CE2-CB 3.8Å; Y322-M329 PolarHBondContact OH-SD 2.93Å; Y322-M329 VanDerWaalsContact OH-SD 3.37Å; M329-F331 HydrophobicContact CB-CE2 4.3Å; M329-F331 HydrophobicContact CE-CE1 3.64Å; M329-F331 HydrophobicContact CE-CE2 4.43Å; M329-F331 HydrophobicContact CE-CZ 3.59Å; M329-F331 HydrophobicContact CG-CD2 4.46Å; M329-F331 HydrophobicContact CG-CE2 3.79Å; M329-F331 HydrophobicContact CG-CZ 3.87Å; M329-F331 HydrophobicContact SD-CE1 4.42Å; M329-F331 HydrophobicContact SD-CE2 4.25Å; M329-F331 HydrophobicContact SD-CZ 3.76Å; M329-F371 HydrophobicContact CE-CZ 4.17Å; M329-I421 HydrophobicContact CE-CD1 3.84Å; M329-I421 HydrophobicContact CE-CG1 4.04Å; M329-I421 HydrophobicContact SD-CD1 3.49Å; M329-I421 WeakPolarHBondContact SD-CD1 3.46Å; M329-I421 HydrophobicContact SD-CG1 4.31Å; M329-F459 HydrophobicContact CE-CB 3.64Å; M329-F459 HydrophobicContact CE-CD2 3.63Å; M329-F459 HydrophobicContact CE-CG 3.82Å; M329-A460 CarbonylContact C-O 3.58Å; M329-A460 WeakPolarHBondContact CA-O 3.19Å; M329-I461 HydrophobicContact CB-CG1 4.33Å; M329-I461 HydrophobicContact CG-CG1 4.17Å; M329-I461 HydrophobicContact SD-CG1 4.31Å
330	Y	97.5	Very high	92.9	Very high	11 Å²	11	35.2 Å²	35.2	4%	0.043	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	142.4	171.6	-70.5	-81.1	0	0	0	111	I317 L318 L328 F356 A359 F459 A460 M462	I317-Y330 HydrophobicContact CG2-CD1 4.15Å; L318-Y330 CarbonylContact O-C 3.49Å; L318-Y330 VanDerWaalsContact O-CA 3.25Å; L318-Y330 WeakPolarHBondContact O-CA 3.44Å; L328-Y330 HydrophobicContact CB-CE2 4.1Å; L328-Y330 HydrophobicContact CD2-CD1 4.04Å; L328-Y330 HydrophobicContact CD2-CD2 4.19Å; L328-Y330 HydrophobicContact CD2-CE1 3.43Å; L328-Y330 VanDerWaalsContact CD2-CE1 3.43Å; L328-Y330 HydrophobicContact CD2-CE2 3.62Å; L328-Y330 HydrophobicContact CD2-CG 4.39Å; L328-Y330 WeakPolarHBondContact CD2-OH 3.36Å; L328-Y330 HydrophobicContact CG-CE2 4.43Å; Y330-F356 VanDerWaalsContact CB-CE1 3.42Å; Y330-F356 HydrophobicContact CD1-CB 4.22Å; Y330-F356 AromaticContact CD1-CD1 3.68Å; Y330-F356 HydrophobicContact CD1-CD1 3.68Å; Y330-F356 HydrophobicContact CD1-CE1 4.34Å; Y330-F356 HydrophobicContact CD1-CG 4.08Å; Y330-F356 HydrophobicContact CD2-CB 4.16Å; Y330-F356 AromaticContact CD2-CD1 3.79Å; Y330-F356 HydrophobicContact CD2-CD1 3.79Å; Y330-F356 AromaticContact CD2-CD2 3.86Å; Y330-F356 HydrophobicContact CD2-CD2 3.86Å; Y330-F356 HydrophobicContact CD2-CE1 4.12Å; Y330-F356 HydrophobicContact CD2-CE2 4.16Å; Y330-F356 AromaticContact CD2-CG 3.66Å; Y330-F356 HydrophobicContact CD2-CG 3.66Å; Y330-F356 HydrophobicContact CD2-CZ 4.29Å; Y330-F356 HydrophobicContact CE1-CB 3.84Å; Y330-F356 HydrophobicContact CE1-CD1 4.21Å; Y330-F356 HydrophobicContact CE1-CG 4.19Å; Y330-F356 HydrophobicContact CE2-CB 3.77Å; Y330-F356 HydrophobicContact CE2-CD1 4.3Å; Y330-F356 HydrophobicContact CE2-CD2 4.03Å; Y330-F356 AromaticContact CE2-CG 3.78Å; Y330-F356 HydrophobicContact CE2-CG 3.78Å; Y330-F356 HydrophobicContact CG-CB 4.36Å; Y330-F356 AromaticContact CG-CD1 3.44Å; Y330-F356 HydrophobicContact CG-CD1 3.44Å; Y330-F356 VanDerWaalsContact CG-CD1 3.44Å; Y330-F356 HydrophobicContact CG-CD2 4.36Å; Y330-F356 AromaticContact CG-CE1 3.73Å; Y330-F356 HydrophobicContact CG-CE1 3.73Å; Y330-F356 AromaticContact CG-CG 3.8Å; Y330-F356 HydrophobicContact CG-CG 3.8Å; Y330-F356 HydrophobicContact CG-CZ 4.3Å; Y330-F356 PolarHBondContact OH-O 3.46Å; Y330-A359 HydrophobicContact CE1-CB 4.33Å; Y330-F459 CarbonylContact O-C 3.47Å; Y330-F459 WeakPolarHBondContact O-CA 3.48Å; Y330-A460 PolarHBondContact N-O 2.81Å; Y330-A460 PolarHBondContact O-N 2.82Å; Y330-M462 HydrophobicContact CD2-CB 4.12Å; Y330-M462 HydrophobicContact CE2-CB 3.98Å; Y330-M462 HydrophobicContact CE2-SD 3.88Å
331	F	98.4	Very high	92.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.3	168.3	-58.3	-95.2	0	0	0	107.4	I317 L318 I320 M329 I368 F451 F457 L458 F459	I317-F331 WeakPolarHBondContact CA-O 3.5Å; L318-F331 HydrophobicContact CB-CB 4.44Å; L318-F331 HydrophobicContact CD2-CD2 4.38Å; L318-F331 PolarHBondContact N-O 2.99Å; L318-F331 PolarHBondContact O-N 3.32Å; I320-F331 HydrophobicContact CD1-CD2 4.43Å; I320-F331 HydrophobicContact CD1-CE2 3.8Å; I320-F331 HydrophobicContact CG1-CD2 4.45Å; I320-F331 HydrophobicContact CG1-CE2 4.04Å; M329-F331 HydrophobicContact CB-CE2 4.3Å; M329-F331 HydrophobicContact CE-CE1 3.64Å; M329-F331 HydrophobicContact CE-CE2 4.43Å; M329-F331 HydrophobicContact CE-CZ 3.59Å; M329-F331 HydrophobicContact CG-CD2 4.46Å; M329-F331 HydrophobicContact CG-CE2 3.79Å; M329-F331 HydrophobicContact CG-CZ 3.87Å; M329-F331 HydrophobicContact SD-CE1 4.42Å; M329-F331 HydrophobicContact SD-CE2 4.25Å; M329-F331 HydrophobicContact SD-CZ 3.76Å; F331-I368 HydrophobicContact CD1-CD1 3.89Å; F331-I368 HydrophobicContact CD1-CG2 4.43Å; F331-I368 HydrophobicContact CD2-CD1 4.23Å; F331-I368 HydrophobicContact CE1-CD1 4.05Å; F331-I368 HydrophobicContact CE1-CG2 3.62Å; F331-I368 HydrophobicContact CE2-CD1 4.39Å; F331-I368 HydrophobicContact CG-CD1 3.98Å; F331-I368 HydrophobicContact CZ-CD1 4.3Å; F331-I368 HydrophobicContact CZ-CG1 4.39Å; F331-I368 HydrophobicContact CZ-CG2 3.79Å; F331-F451 HydrophobicContact CB-CE1 3.83Å; F331-F451 HydrophobicContact CB-CZ 3.51Å; F331-F451 HydrophobicContact CG-CE1 4.47Å; F331-F457 HydrophobicContact CD1-CD2 4.02Å; F331-F457 AromaticContact CD1-CE2 3.7Å; F331-F457 HydrophobicContact CD1-CE2 3.7Å; F331-F457 HydrophobicContact CD1-CZ 4.4Å; F331-F457 HydrophobicContact CE1-CE2 4.07Å; F331-L458 WeakPolarHBondContact CA-O 3.05Å; F331-F459 HydrophobicContact CD1-CB 4.16Å; F331-F459 HydrophobicContact CE1-CB 4.39Å
332	V	98.5	Very high	92.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	108.8	173.8	-170.9	0	0	0	0	107.6	Y315 Q316 I317 M343 L355 F356 F457 L458	Y315-V332 HydrophobicContact CG-CG1 4.38Å; Q316-V332 WeakPolarHBondContact O-CA 3.24Å; I317-V332 HydrophobicContact CG1-CG1 4.44Å; V332-M343 HydrophobicContact CB-CE 4.22Å; V332-M343 HydrophobicContact CB-SD 4.3Å; V332-M343 HydrophobicContact CG1-CE 4.09Å; V332-M343 HydrophobicContact CG1-SD 3.54Å; V332-M343 VanDerWaalsContact CG1-SD 3.54Å; V332-L355 HydrophobicContact CG1-CD1 4.34Å; V332-F356 HydrophobicContact CG2-CE1 3.9Å; V332-F457 WeakPolarHBondContact O-CB 3.39Å; V332-L458 HydrophobicContact CB-CB 4.23Å; V332-L458 HydrophobicContact CB-CD2 4.31Å; V332-L458 HydrophobicContact CG2-CD2 4.2Å; V332-L458 PolarHBondContact N-O 3.41Å; V332-L458 PolarHBondContact O-N 2.81Å
333	L	98.6	Very high	93	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	115.7	-174.9	-177.5	69.6	0	0	0	109.1	Y315 Q316 F451 I452 A453 H455 F457	Y315-L333 CarbonylContact C-O 3.59Å; Y315-L333 WeakPolarHBondContact CA-O 3.44Å; Q316-L333 HydrophobicContact CB-CB 4.43Å; Q316-L333 PolarHBondContact N-O 2.77Å; Q316-L333 PolarHBondContact O-N 2.84Å; L333-F451 HydrophobicContact CB-CE1 4.37Å; L333-F451 HydrophobicContact CB-CE2 3.76Å; L333-F451 HydrophobicContact CB-CZ 3.56Å; L333-F451 HydrophobicContact CD2-CE1 4.41Å; L333-F451 HydrophobicContact CD2-CE2 4.41Å; L333-F451 HydrophobicContact CD2-CZ 4.27Å; L333-I452 WeakPolarHBondContact CD2-O 3.27Å; L333-A453 HydrophobicContact CD1-CB 4.41Å; L333-H455 VanDerWaalsContact CD1-CE1 3.49Å; L333-H455 WeakPolarHBondContact CD1-CE1 3.35Å; L333-H455 VanDerWaalsContact CD1-NE2 3.34Å; L333-H455 WeakPolarHBondContact CD1-NE2 3.17Å; L333-F457 HydrophobicContact CD1-CB 3.84Å; L333-F457 HydrophobicContact CD1-CD1 4.47Å
334	P	98.4	Very high	93.3	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.019	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	141.8	168.1	-20	32	0	0	0	111.4	Y315 E336 L340 M343 H455 P456	Y315-P334 HydrophobicContact CD1-CB 4.48Å; P334-E336 VanDerWaalsContact C-N 3.29Å; P334-E336 WeakPolarHBondContact CB-O 3.31Å; P334-L340 HydrophobicContact CG-CB 4.13Å; P334-L340 HydrophobicContact CG-CD1 4.41Å; P334-M343 HydrophobicContact CG-CB 4.41Å; P334-M343 HydrophobicContact CG-SD 3.96Å; P334-H455 PolarHBondContact O-CE1 2.95Å; P334-H455 PolarHBondContact O-NE2 3.24Å; P334-P456 WeakPolarHBondContact CD-O 3.45Å
335	K	98.1	Very high	93.9	Very high	86 Å²	86	46.2 Å²	46.2	37%	0.374	22%	0.22	S	C	.	.	S	Bend	trans	-72.7	-29.7	171.8	-65.4	-170.1	-166.9	-178.7	0	111.8	E311 T312 D313 E314 Q316	E311-K335 VanDerWaalsContact CG-CE 3.47Å; E311-K335 WeakPolarHBondContact OE1-CE 3.34Å; E311-K335 IonicContact OE1-NZ 2.92Å; E311-K335 PolarHBondContact OE1-NZ 3.41Å; T312-K335 WeakPolarHBondContact O-CE 3.49Å; T312-K335 PolarHBondContact O-NZ 2.84Å; D313-K335 WeakPolarHBondContact O-CD 3.33Å; E314-K335 PolarHBondContact O-N 2.77Å; Q316-K335 HydrophobicContact CG-CG 4.47Å
336	E	96.8	Very high	94.7	Very high	134 Å²	134	44.1 Å²	44.1	63%	0.626	21%	0.209	S	C	*	.	S	Bend	trans	-77.7	122.9	170.1	-67.9	-177.8	175.3	0	0	109.8	P334 F338 G339	P334-E336 VanDerWaalsContact C-N 3.29Å; P334-E336 WeakPolarHBondContact CB-O 3.31Å; E336-F338 PolarHBondContact O-N 3.33Å; E336-G339 PolarHBondContact O-N 3.31Å
337	K	94.4	Very high	95.3	Very high	77 Å²	77	40.2 Å²	40.2	34%	0.335	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-31.9	-174.3	-170.5	176.7	-85.9	-168.9	0	114.8	Y289 H455 P456	Y289-K337 HydrophobicContact CD1-CD 4.1Å; Y289-K337 HydrophobicContact CD2-CD 3.77Å; Y289-K337 HydrophobicContact CD2-CG 4.36Å; Y289-K337 VanDerWaalsContact CD2-NZ 3.29Å; Y289-K337 VanDerWaalsContact CE1-NZ 3.26Å; Y289-K337 HydrophobicContact CE2-CD 4.49Å; Y289-K337 HydrophobicContact CG-CD 3.56Å; Y289-K337 HydrophobicContact CG-CG 4.3Å; K337-H455 HydrophobicContact CG-CB 3.62Å; K337-H455 WeakPolarHBondContact O-CB 3.37Å; K337-H455 PolarHBondContact O-CD2 2.85Å; K337-P456 WeakPolarHBondContact O-CD 3.49Å
338	F	94.7	Very high	95.5	Very high	93 Å²	93	44.3 Å²	44.3	41%	0.408	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	23.4	177.9	-50.7	-57.2	0	0	0	112.7	K291 Q292 E336 L340	K291-F338 VanDerWaalsContact CA-CE1 3.43Å; K291-F338 WeakPolarHBondContact O-CE1 3.46Å; K291-F338 WeakPolarHBondContact O-CZ 3.4Å; Q292-F338 HydrophobicContact CB-CE2 4.3Å; E336-F338 PolarHBondContact O-N 3.33Å; F338-L340 VanDerWaalsContact C-N 3.26Å; F338-L340 PolarHBondContact O-N 3.29Å
339	G	95.7	Very high	95.4	Very high	6 Å²	6	44.6 Å²	44.6	6%	0.062	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-4.9	-176.3	0	0	0	0	0	114.7	E336 K341 N342 M343	E336-G339 PolarHBondContact O-N 3.31Å; G339-K341 PolarHBondContact O-N 2.78Å; G339-N342 PolarHBondContact O-N 2.69Å; G339-N342 VanDerWaalsContact O-N 3.17Å; G339-M343 PolarHBondContact O-N 3.01Å
340	L	96	Very high	95.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-59.1	-44.8	-173.2	179.9	60.4	0	0	0	112.5	P334 F338 N342 M343 M344 P456 L458 V474 Y476	P334-L340 HydrophobicContact CG-CB 4.13Å; P334-L340 HydrophobicContact CG-CD1 4.41Å; F338-L340 VanDerWaalsContact C-N 3.26Å; F338-L340 PolarHBondContact O-N 3.29Å; L340-N342 VanDerWaalsContact C-N 3.31Å; L340-N342 PolarHBondContact O-N 2.68Å; L340-M343 HydrophobicContact CD1-CE 3.37Å; L340-M343 WeakPolarHBondContact O-CB 3.43Å; L340-M343 PolarHBondContact O-N 3.03Å; L340-M343 VanDerWaalsContact O-N 3.16Å; L340-M344 HydrophobicContact CD1-CG 4.13Å; L340-M344 HydrophobicContact CD1-SD 4.24Å; L340-M344 HydrophobicContact CG-CG 4.42Å; L340-M344 WeakPolarHBondContact O-CG 3.43Å; L340-M344 PolarHBondContact O-N 3.05Å; L340-P456 HydrophobicContact CB-CB 4.03Å; L340-P456 HydrophobicContact CD2-CB 3.48Å; L340-P456 VanDerWaalsContact CD2-CB 3.48Å; L340-P456 HydrophobicContact CG-CB 4.4Å; L340-L458 HydrophobicContact CD1-CB 4.27Å; L340-V474 HydrophobicContact CD1-CG1 4.18Å; L340-V474 HydrophobicContact CD2-CB 3.87Å; L340-V474 HydrophobicContact CD2-CG1 3.76Å; L340-V474 HydrophobicContact CG-CG1 4.31Å; L340-Y476 HydrophobicContact CD2-CD2 4.4Å; L340-Y476 HydrophobicContact CD2-CE1 4.41Å; L340-Y476 HydrophobicContact CD2-CE2 3.63Å
341	K	92.8	Very high	94.8	Very high	151 Å²	151	52.8 Å²	52.8	66%	0.657	25%	0.252	S	S	*	.	H	α-helix	trans	-59.4	-43.5	178.7	-173.6	176.6	-179.6	177.7	0	111.6	G339 M344 T345	G339-K341 PolarHBondContact O-N 2.78Å; K341-M344 PolarHBondContact O-N 2.7Å; K341-T345 WeakPolarHBondContact O-CG2 3.48Å; K341-T345 PolarHBondContact O-N 2.82Å
342	N	94.2	Very high	94.6	Very high	72 Å²	72	52.8 Å²	52.8	39%	0.385	25%	0.252	S	S	.	.	H	α-helix	trans	-69.8	-34.2	177.1	-173.5	41.9	0	0	0	112.4	G339 L340 T345 K346	G339-N342 PolarHBondContact O-N 2.69Å; G339-N342 VanDerWaalsContact O-N 3.17Å; L340-N342 VanDerWaalsContact C-N 3.31Å; L340-N342 PolarHBondContact O-N 2.68Å; N342-T345 PolarHBondContact O-OG1 2.68Å; N342-K346 WeakPolarHBondContact ND2-CE 3.32Å; N342-K346 PolarHBondContact ND2-NZ 2.88Å; N342-K346 WeakPolarHBondContact O-CG 3.47Å; N342-K346 PolarHBondContact O-N 3.36Å; N342-K346 WeakPolarHBondContact OD1-CE 3.45Å
343	M	95.6	Very high	94.3	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-49.3	171.7	-178.1	-177.5	87	0	0	110.3	Y315 V332 P334 G339 L340 T345 K346 L347 L458	Y315-M343 HydrophobicContact CD1-CB 4.36Å; Y315-M343 HydrophobicContact CD1-CG 3.86Å; Y315-M343 HydrophobicContact CD1-SD 3.65Å; Y315-M343 HydrophobicContact CE1-CB 3.69Å; Y315-M343 HydrophobicContact CE1-CG 3.46Å; Y315-M343 VanDerWaalsContact CE1-CG 3.46Å; Y315-M343 HydrophobicContact CE1-SD 3.91Å; Y315-M343 HydrophobicContact CE2-CG 4.41Å; Y315-M343 HydrophobicContact CG-SD 4.19Å; V332-M343 HydrophobicContact CB-CE 4.22Å; V332-M343 HydrophobicContact CB-SD 4.3Å; V332-M343 HydrophobicContact CG1-CE 4.09Å; V332-M343 HydrophobicContact CG1-SD 3.54Å; V332-M343 VanDerWaalsContact CG1-SD 3.54Å; P334-M343 HydrophobicContact CG-CB 4.41Å; P334-M343 HydrophobicContact CG-SD 3.96Å; G339-M343 PolarHBondContact O-N 3.01Å; L340-M343 HydrophobicContact CD1-CE 3.37Å; L340-M343 WeakPolarHBondContact O-CB 3.43Å; L340-M343 PolarHBondContact O-N 3.03Å; L340-M343 VanDerWaalsContact O-N 3.16Å; M343-T345 VanDerWaalsContact C-N 3.31Å; M343-T345 PolarHBondContact O-N 2.92Å; M343-K346 PolarHBondContact O-N 3.19Å; M343-L347 HydrophobicContact CE-CD1 4.12Å; M343-L347 HydrophobicContact CG-CD1 4.12Å; M343-L347 HydrophobicContact CG-CG 4.3Å; M343-L347 WeakPolarHBondContact O-CG 3.21Å; M343-L347 PolarHBondContact O-N 3.17Å; M343-L347 VanDerWaalsContact O-N 3.12Å; M343-L458 HydrophobicContact CE-CB 3.41Å; M343-L458 VanDerWaalsContact CE-CB 3.41Å; M343-L458 HydrophobicContact CE-CD2 4.05Å; M343-L458 HydrophobicContact CE-CG 4.36Å
344	M	94.4	Very high	94	Very high	7 Å²	7	56.3 Å²	56.3	3%	0.034	27%	0.271	C	S	.	.	H	α-helix	trans	-62.6	-34.5	-177.5	-65.4	-48.6	-65.1	0	0	112.7	L115 Y118 H119 L340 K341 K346 L347 L458 V474	L115-M344 HydrophobicContact CD2-CE 4.17Å; Y118-M344 HydrophobicContact CD1-CE 3.5Å; Y118-M344 HydrophobicContact CD2-CE 4.24Å; Y118-M344 HydrophobicContact CE1-CB 4.2Å; Y118-M344 HydrophobicContact CE1-CE 3.2Å; Y118-M344 HydrophobicContact CE1-CG 4.04Å; Y118-M344 HydrophobicContact CE1-SD 4.37Å; Y118-M344 HydrophobicContact CE2-CE 3.95Å; Y118-M344 HydrophobicContact CG-CE 4.06Å; Y118-M344 VanDerWaalsContact CZ-CE 3.47Å; H119-M344 PolarHBondContact CE1-O 3.1Å; H119-M344 VanDerWaalsContact CE1-O 3.26Å; L340-M344 HydrophobicContact CD1-CG 4.13Å; L340-M344 HydrophobicContact CD1-SD 4.24Å; L340-M344 HydrophobicContact CG-CG 4.42Å; L340-M344 WeakPolarHBondContact O-CG 3.43Å; L340-M344 PolarHBondContact O-N 3.05Å; K341-M344 PolarHBondContact O-N 2.7Å; M344-K346 VanDerWaalsContact C-N 3.28Å; M344-K346 PolarHBondContact O-N 2.67Å; M344-L347 HydrophobicContact CE-CD1 4.17Å; M344-L347 PolarHBondContact O-N 2.83Å; M344-L347 HydrophobicContact SD-CD1 3.71Å; M344-L458 HydrophobicContact CE-CD1 4.04Å; M344-L458 HydrophobicContact SD-CB 4.33Å; M344-L458 HydrophobicContact SD-CD1 4.09Å; M344-L458 HydrophobicContact SD-CD2 4.26Å; M344-L458 HydrophobicContact SD-CG 4.46Å; M344-V474 HydrophobicContact SD-CG1 4.49Å
345	T	92.6	Very high	93.7	Very high	102 Å²	102	56.6 Å²	56.6	63%	0.626	27%	0.272	S	S	*	.	H	α-helix	trans	-70.2	-23.2	175.7	57.1	0	0	0	0	113.6	K341 N342 M343	K341-T345 WeakPolarHBondContact O-CG2 3.48Å; K341-T345 PolarHBondContact O-N 2.82Å; N342-T345 PolarHBondContact O-OG1 2.68Å; M343-T345 VanDerWaalsContact C-N 3.31Å; M343-T345 PolarHBondContact O-N 2.92Å
346	K	93.2	Very high	93.5	Very high	83 Å²	83	52.6 Å²	52.6	36%	0.361	26%	0.255	S	S	.	.	H	α-helix	trans	-92.1	-14.6	179	-65.8	174.6	-175.5	-174.8	0	113.3	E314 N342 M343 M344	E314-K346 IonicContact OE1-NZ 2.9Å; E314-K346 IonicContact OE2-NZ 3.78Å; E314-K346 PolarHBondContact OE2-NZ 2.95Å; N342-K346 WeakPolarHBondContact ND2-CE 3.32Å; N342-K346 PolarHBondContact ND2-NZ 2.88Å; N342-K346 WeakPolarHBondContact O-CG 3.47Å; N342-K346 PolarHBondContact O-N 3.36Å; N342-K346 WeakPolarHBondContact OD1-CE 3.45Å; M343-K346 PolarHBondContact O-N 3.19Å; M344-K346 VanDerWaalsContact C-N 3.28Å; M344-K346 PolarHBondContact O-N 2.67Å
347	L	93.7	Very high	93.1	Very high	12 Å²	12	49.3 Å²	49.3	6%	0.063	24%	0.242	C	C	.	.			trans	-76.2	134.6	-178.2	-76.8	174.6	0	0	0	111	L115 M343 M344 K351 L355 L458	L115-L347 HydrophobicContact CD1-CB 4.34Å; L115-L347 HydrophobicContact CD2-CB 4.35Å; M343-L347 HydrophobicContact CE-CD1 4.12Å; M343-L347 HydrophobicContact CG-CD1 4.12Å; M343-L347 HydrophobicContact CG-CG 4.3Å; M343-L347 WeakPolarHBondContact O-CG 3.21Å; M343-L347 PolarHBondContact O-N 3.17Å; M343-L347 VanDerWaalsContact O-N 3.12Å; M344-L347 HydrophobicContact CE-CD1 4.17Å; M344-L347 PolarHBondContact O-N 2.83Å; M344-L347 HydrophobicContact SD-CD1 3.71Å; L347-K351 HydrophobicContact CD2-CB 4.43Å; L347-K351 HydrophobicContact CD2-CD 4.25Å; L347-K351 HydrophobicContact CD2-CG 4.11Å; L347-L355 HydrophobicContact CD2-CD1 3.57Å; L347-L458 HydrophobicContact CD1-CD2 3.84Å
348	N	92.8	Very high	92.9	Very high	88 Å²	88	48 Å²	48	47%	0.471	24%	0.242	S	C	.	.			trans	-130.3	171	164.2	63.6	46.1	0	0	0	108.2	K350 K351 L352	N348-K350 VanDerWaalsContact C-N 3.28Å; N348-K350 PolarHBondContact O-N 2.82Å; N348-K350 PolarHBondContact OD1-N 3.32Å; N348-K351 PolarHBondContact O-N 3.16Å; N348-K351 VanDerWaalsContact O-N 3.11Å; N348-K351 PolarHBondContact OD1-N 2.89Å; N348-L352 WeakPolarHBondContact O-CB 3.34Å; N348-L352 PolarHBondContact O-N 3.44Å
349	A	90.7	Very high	92.8	Very high	7 Å²	7	44.3 Å²	44.3	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-51.8	-48	-175.9	0	0	0	0	0	112.5	I108 A111 D112 L352 L353	I108-A349 HydrophobicContact CG2-CB 4.08Å; I108-A349 WeakPolarHBondContact O-CB 3.48Å; A111-A349 HydrophobicContact CB-CB 3.88Å; D112-A349 HydrophobicContact CB-CB 3.85Å; A349-L352 PolarHBondContact O-N 3.43Å; A349-L353 VanDerWaalsContact O-CG 3.32Å; A349-L353 WeakPolarHBondContact O-CG 3.42Å; A349-L353 PolarHBondContact O-N 2.84Å
350	K	90.1	Very high	92.5	Very high	125 Å²	125	46.1 Å²	46.1	54%	0.543	24%	0.237	S	C	.	.	H	α-helix	trans	-61.6	-49.2	178.8	-175.1	-178.9	-177.1	-62.7	0	111.4	N348 L352 L353 D354	N348-K350 VanDerWaalsContact C-N 3.28Å; N348-K350 PolarHBondContact O-N 2.82Å; N348-K350 PolarHBondContact OD1-N 3.32Å; K350-L352 VanDerWaalsContact C-N 3.32Å; K350-L352 PolarHBondContact O-N 2.94Å; K350-L353 PolarHBondContact O-N 2.88Å; K350-D354 IonicContact NZ-OD1 3.28Å; K350-D354 IonicContact NZ-OD2 3.07Å; K350-D354 PolarHBondContact NZ-OD2 2.82Å; K350-D354 VanDerWaalsContact O-CB 3.31Å; K350-D354 WeakPolarHBondContact O-CB 3.25Å; K350-D354 PolarHBondContact O-N 3.49Å
351	K	91.8	Very high	92.3	Very high	59 Å²	59	51.6 Å²	51.6	26%	0.257	26%	0.262	S	S	.	.	H	α-helix	trans	-62.3	-39.7	180	-169.9	175.1	-178.5	-177.5	0	111.4	L347 N348 L355	L347-K351 HydrophobicContact CD2-CB 4.43Å; L347-K351 HydrophobicContact CD2-CD 4.25Å; L347-K351 HydrophobicContact CD2-CG 4.11Å; N348-K351 PolarHBondContact O-N 3.16Å; N348-K351 VanDerWaalsContact O-N 3.11Å; N348-K351 PolarHBondContact OD1-N 2.89Å; K351-L355 HydrophobicContact CG-CD1 4.47Å; K351-L355 WeakPolarHBondContact O-CB 3.44Å; K351-L355 WeakPolarHBondContact O-CG 3.49Å; K351-L355 PolarHBondContact O-N 2.68Å
352	L	94.1	Very high	92.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-49.4	176.7	-177.4	68	0	0	0	111.4	L115 N348 A349 K350 L355 F356 L458 V469 I472	L115-L352 HydrophobicContact CD1-CB 4.28Å; L115-L352 HydrophobicContact CD1-CD2 4.29Å; L115-L352 HydrophobicContact CD2-CD2 4.18Å; L115-L352 HydrophobicContact CG-CD2 4.15Å; N348-L352 WeakPolarHBondContact O-CB 3.34Å; N348-L352 PolarHBondContact O-N 3.44Å; A349-L352 PolarHBondContact O-N 3.43Å; K350-L352 VanDerWaalsContact C-N 3.32Å; K350-L352 PolarHBondContact O-N 2.94Å; L352-L355 WeakPolarHBondContact O-CB 3.46Å; L352-L355 PolarHBondContact O-N 3.33Å; L352-F356 HydrophobicContact CD1-CE1 3.91Å; L352-F356 HydrophobicContact CD1-CE2 4.06Å; L352-F356 HydrophobicContact CD1-CZ 3.5Å; L352-F356 VanDerWaalsContact CD1-CZ 3.5Å; L352-F356 HydrophobicContact CD2-CE2 4.32Å; L352-F356 HydrophobicContact CD2-CZ 4.44Å; L352-F356 HydrophobicContact CG-CE2 3.86Å; L352-F356 HydrophobicContact CG-CZ 3.85Å; L352-F356 WeakPolarHBondContact O-CG 3.33Å; L352-F356 PolarHBondContact O-N 3.47Å; L352-F356 VanDerWaalsContact O-N 3.15Å; L352-L458 HydrophobicContact CD1-CD2 3.83Å; L352-V469 HydrophobicContact CD2-CG2 4.46Å; L352-I472 HydrophobicContact CD2-CD1 4.12Å
353	L	91.7	Very high	92.3	Very high	15 Å²	15	50.9 Å²	50.9	8%	0.079	25%	0.254	C	S	.	.	H	α-helix	trans	-65.6	-40.6	178.5	-65.5	174.2	0	0	0	111.8	D107 I108 A111 A349 K350 L355 F356 D357 M462	D107-L353 HydrophobicContact CB-CD1 4.08Å; I108-L353 HydrophobicContact CG1-CD1 3.97Å; A111-L353 HydrophobicContact CB-CD1 4.08Å; A111-L353 HydrophobicContact CB-CD2 4.22Å; A111-L353 HydrophobicContact CB-CG 4.05Å; A349-L353 VanDerWaalsContact O-CG 3.32Å; A349-L353 WeakPolarHBondContact O-CG 3.42Å; A349-L353 PolarHBondContact O-N 2.84Å; K350-L353 PolarHBondContact O-N 2.88Å; L353-L355 VanDerWaalsContact C-N 3.32Å; L353-L355 PolarHBondContact O-N 3.02Å; L353-F356 PolarHBondContact O-N 3.33Å; L353-F356 VanDerWaalsContact O-N 3.16Å; L353-D357 WeakPolarHBondContact O-CB 3.42Å; L353-D357 PolarHBondContact O-N 2.84Å; L353-M462 HydrophobicContact CD2-CE 3.74Å
354	D	91.3	Very high	92.4	Very high	60 Å²	60	50.9 Å²	50.9	32%	0.321	25%	0.254	S	S	.	.	H	α-helix	trans	-60.6	-40.8	175.3	-72.3	-21	0	0	0	111.2	K350 F356 D357 S358	K350-D354 IonicContact NZ-OD1 3.28Å; K350-D354 IonicContact NZ-OD2 3.07Å; K350-D354 PolarHBondContact NZ-OD2 2.82Å; K350-D354 VanDerWaalsContact O-CB 3.31Å; K350-D354 WeakPolarHBondContact O-CB 3.25Å; K350-D354 PolarHBondContact O-N 3.49Å; D354-F356 VanDerWaalsContact C-N 3.35Å; D354-F356 PolarHBondContact O-N 2.85Å; D354-D357 PolarHBondContact O-N 3.16Å; D354-S358 VanDerWaalsContact O-CB 3.28Å; D354-S358 WeakPolarHBondContact O-CB 3.46Å; D354-S358 PolarHBondContact O-N 2.84Å
355	L	93.6	Very high	92.5	Very high	10 Å²	10	52.5 Å²	52.5	5%	0.052	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-45.6	174.4	-73.5	167.9	0	0	0	110.9	T312 Y315 I317 V332 L347 K351 L352 L353 S358	T312-L355 HydrophobicContact CG2-CD2 4.11Å; Y315-L355 HydrophobicContact CD2-CD2 4.12Å; I317-L355 HydrophobicContact CD1-CD2 3.8Å; I317-L355 HydrophobicContact CG1-CB 4.15Å; I317-L355 HydrophobicContact CG1-CD2 3.97Å; V332-L355 HydrophobicContact CG1-CD1 4.34Å; L347-L355 HydrophobicContact CD2-CD1 3.57Å; K351-L355 HydrophobicContact CG-CD1 4.47Å; K351-L355 WeakPolarHBondContact O-CB 3.44Å; K351-L355 WeakPolarHBondContact O-CG 3.49Å; K351-L355 PolarHBondContact O-N 2.68Å; L352-L355 WeakPolarHBondContact O-CB 3.46Å; L352-L355 PolarHBondContact O-N 3.33Å; L353-L355 VanDerWaalsContact C-N 3.32Å; L353-L355 PolarHBondContact O-N 3.02Å; L355-S358 PolarHBondContact O-N 2.79Å; L355-S358 PolarHBondContact O-OG 3.12Å
356	F	92.7	Very high	92.8	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.009	23%	0.232	C	C	.	.	H	α-helix	trans	-65.6	-46.2	178.3	-64.6	-12.6	0	0	0	112.5	Y330 V332 L352 L353 D354 S358 A359 A460 M462	Y330-F356 VanDerWaalsContact CB-CE1 3.42Å; Y330-F356 HydrophobicContact CD1-CB 4.22Å; Y330-F356 AromaticContact CD1-CD1 3.68Å; Y330-F356 HydrophobicContact CD1-CD1 3.68Å; Y330-F356 HydrophobicContact CD1-CE1 4.34Å; Y330-F356 HydrophobicContact CD1-CG 4.08Å; Y330-F356 HydrophobicContact CD2-CB 4.16Å; Y330-F356 AromaticContact CD2-CD1 3.79Å; Y330-F356 HydrophobicContact CD2-CD1 3.79Å; Y330-F356 AromaticContact CD2-CD2 3.86Å; Y330-F356 HydrophobicContact CD2-CD2 3.86Å; Y330-F356 HydrophobicContact CD2-CE1 4.12Å; Y330-F356 HydrophobicContact CD2-CE2 4.16Å; Y330-F356 AromaticContact CD2-CG 3.66Å; Y330-F356 HydrophobicContact CD2-CG 3.66Å; Y330-F356 HydrophobicContact CD2-CZ 4.29Å; Y330-F356 HydrophobicContact CE1-CB 3.84Å; Y330-F356 HydrophobicContact CE1-CD1 4.21Å; Y330-F356 HydrophobicContact CE1-CG 4.19Å; Y330-F356 HydrophobicContact CE2-CB 3.77Å; Y330-F356 HydrophobicContact CE2-CD1 4.3Å; Y330-F356 HydrophobicContact CE2-CD2 4.03Å; Y330-F356 AromaticContact CE2-CG 3.78Å; Y330-F356 HydrophobicContact CE2-CG 3.78Å; Y330-F356 HydrophobicContact CG-CB 4.36Å; Y330-F356 AromaticContact CG-CD1 3.44Å; Y330-F356 HydrophobicContact CG-CD1 3.44Å; Y330-F356 VanDerWaalsContact CG-CD1 3.44Å; Y330-F356 HydrophobicContact CG-CD2 4.36Å; Y330-F356 AromaticContact CG-CE1 3.73Å; Y330-F356 HydrophobicContact CG-CE1 3.73Å; Y330-F356 AromaticContact CG-CG 3.8Å; Y330-F356 HydrophobicContact CG-CG 3.8Å; Y330-F356 HydrophobicContact CG-CZ 4.3Å; Y330-F356 PolarHBondContact OH-O 3.46Å; V332-F356 HydrophobicContact CG2-CE1 3.9Å; L352-F356 HydrophobicContact CD1-CE1 3.91Å; L352-F356 HydrophobicContact CD1-CE2 4.06Å; L352-F356 HydrophobicContact CD1-CZ 3.5Å; L352-F356 VanDerWaalsContact CD1-CZ 3.5Å; L352-F356 HydrophobicContact CD2-CE2 4.32Å; L352-F356 HydrophobicContact CD2-CZ 4.44Å; L352-F356 HydrophobicContact CG-CE2 3.86Å; L352-F356 HydrophobicContact CG-CZ 3.85Å; L352-F356 WeakPolarHBondContact O-CG 3.33Å; L352-F356 PolarHBondContact O-N 3.47Å; L352-F356 VanDerWaalsContact O-N 3.15Å; L353-F356 PolarHBondContact O-N 3.33Å; L353-F356 VanDerWaalsContact O-N 3.16Å; D354-F356 VanDerWaalsContact C-N 3.35Å; D354-F356 PolarHBondContact O-N 2.85Å; F356-S358 PolarHBondContact O-N 3.15Å; F356-A359 PolarHBondContact O-N 3.36Å; F356-A460 HydrophobicContact CE2-CB 4.17Å; F356-A460 HydrophobicContact CZ-CB 3.67Å; F356-M462 HydrophobicContact CB-SD 4.41Å; F356-M462 HydrophobicContact CD2-SD 3.68Å; F356-M462 HydrophobicContact CE2-SD 4.44Å; F356-M462 HydrophobicContact CG-SD 4.47Å
357	D	89.7	Confident	93	Very high	65 Å²	65	44.8 Å²	44.8	35%	0.348	22%	0.22	S	C	.	.	H	α-helix	trans	-70.6	-18.4	-179.9	-88.5	-36.2	0	0	0	113.3	R43 L353 D354 A359	R43-D357 IonicContact CZ-OD1 2.8Å; R43-D357 IonicContact NH1-OD1 3.05Å; R43-D357 PolarHBondContact NH1-OD1 3.07Å; R43-D357 IonicContact NH1-OD2 2.67Å; R43-D357 IonicContact NH2-OD1 2.81Å; R43-D357 PolarHBondContact NH2-OD1 3.28Å; L353-D357 WeakPolarHBondContact O-CB 3.42Å; L353-D357 PolarHBondContact O-N 2.84Å; D354-D357 PolarHBondContact O-N 3.16Å; D357-A359 VanDerWaalsContact C-N 3.33Å
358	S	90.5	Very high	93.2	Very high	49 Å²	49	44.2 Å²	44.2	34%	0.343	22%	0.217	S	C	.	.	H	α-helix	trans	-73.2	-22.8	176.1	75.1	0	0	0	0	113.6	S310 D354 L355 F356	S310-S358 WeakPolarHBondContact CB-O 3.34Å; S310-S358 WeakPolarHBondContact CB-OG 3.43Å; S310-S358 PolarHBondContact OG-OG 2.96Å; D354-S358 VanDerWaalsContact O-CB 3.28Å; D354-S358 WeakPolarHBondContact O-CB 3.46Å; D354-S358 PolarHBondContact O-N 2.84Å; L355-S358 PolarHBondContact O-N 2.79Å; L355-S358 PolarHBondContact O-OG 3.12Å; F356-S358 PolarHBondContact O-N 3.15Å
359	A	91	Very high	93.4	Very high	16 Å²	16	40 Å²	40	13%	0.132	19%	0.194	C	C	.	.			trans	-70.9	133.2	-175.1	0	0	0	0	0	111.9	P308 I317 Y330 F356 D357	P308-A359 HydrophobicContact CB-CB 3.85Å; I317-A359 HydrophobicContact CG2-CB 4.35Å; Y330-A359 HydrophobicContact CE1-CB 4.33Å; F356-A359 PolarHBondContact O-N 3.36Å; D357-A359 VanDerWaalsContact C-N 3.33Å
360	I	89.3	Confident	93.6	Very high	44 Å²	44	43 Å²	43	23%	0.226	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148	-177.2	64.7	165	0	0	0	111.1	R39 P308 Y309 R362	R39-I360 VanDerWaalsContact CZ-CG2 3.42Å; P308-I360 CarbonylContact C-O 3.57Å; P308-I360 WeakPolarHBondContact CA-O 3.42Å; Y309-I360 PolarHBondContact N-O 3.06Å; Y309-I360 PolarHBondContact O-N 3.43Å; I360-R362 HydrophobicContact CG1-CG 4.11Å; I360-R362 PolarHBondContact O-N 3.2Å; I360-R362 VanDerWaalsContact O-N 3.07Å
361	E	93.4	Very high	93.7	Very high	115 Å²	115	37.4 Å²	37.4	54%	0.537	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	117.2	179.3	-64.2	-66.1	169.6	0	0	110.9	F307 P308	F307-E361 WeakPolarHBondContact CA-OE2 3.47Å; F307-E361 PolarHBondContact N-OE2 2.99Å; F307-E361 WeakPolarHBondContact O-CA 3.31Å; P308-E361 WeakPolarHBondContact CD-OE1 3.11Å; P308-E361 WeakPolarHBondContact CD-OE2 3.44Å; P308-E361 WeakPolarHBondContact CG-OE1 3.26Å
362	R	91.9	Very high	93.6	Very high	115 Å²	115	39.1 Å²	39.1	43%	0.434	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	150	175.7	-68.5	-178.2	-178.1	-172.6	4.7	108.8	E306 F307 I360 V364	E306-R362 VanDerWaalsContact CA-O 3.24Å; E306-R362 WeakPolarHBondContact CA-O 3.41Å; F307-R362 PolarHBondContact N-O 3.1Å; F307-R362 PolarHBondContact O-N 2.84Å; I360-R362 HydrophobicContact CG1-CG 4.11Å; I360-R362 PolarHBondContact O-N 3.2Å; I360-R362 VanDerWaalsContact O-N 3.07Å; R362-V364 HydrophobicContact CB-CG2 4.38Å; R362-V364 WeakPolarHBondContact O-CG2 3.49Å; R362-V364 PolarHBondContact O-N 3.31Å
363	Q	95.1	Very high	93.3	Very high	94 Å²	94	39.1 Å²	39.1	44%	0.439	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	122.8	165.3	-71.8	-69.8	-2.7	0	0	109.4	E306 P448 P449	E306-Q363 HydrophobicContact CG-CG 3.78Å; E306-Q363 PolarHBondContact OE1-NE2 2.71Å; E306-Q363 VanDerWaalsContact OE1-NE2 3.09Å; Q363-P448 HydrophobicContact CB-CB 4.22Å; Q363-P448 WeakPolarHBondContact O-CB 3.44Å; Q363-P449 VanDerWaalsContact O-CD 3.29Å; Q363-P449 WeakPolarHBondContact O-CD 3.27Å
364	V	96.4	Very high	93.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.4	-179.6	-174.2	0	0	0	0	109.2	N304 K305 Y309 L318 R362 V366 P449 F451	N304-V364 WeakPolarHBondContact CA-O 3.34Å; K305-V364 PolarHBondContact N-O 3.35Å; K305-V364 VanDerWaalsContact N-O 3.15Å; K305-V364 PolarHBondContact O-N 2.67Å; Y309-V364 HydrophobicContact CD2-CG1 4.11Å; Y309-V364 HydrophobicContact CD2-CG2 3.87Å; Y309-V364 HydrophobicContact CE2-CG1 4.46Å; Y309-V364 HydrophobicContact CG-CG2 3.74Å; L318-V364 HydrophobicContact CD1-CG1 4.41Å; R362-V364 HydrophobicContact CB-CG2 4.38Å; R362-V364 WeakPolarHBondContact O-CG2 3.49Å; R362-V364 PolarHBondContact O-N 3.31Å; V364-V366 HydrophobicContact CB-CG2 3.91Å; V364-V366 HydrophobicContact CG1-CG2 3.67Å; V364-P449 WeakPolarHBondContact CA-O 3.17Å; V364-P449 WeakPolarHBondContact CG1-O 3.4Å; V364-P449 HydrophobicContact CG2-CG 4.16Å; V364-F451 HydrophobicContact CG1-CB 3.84Å
365	E	97.6	Very high	92.9	Very high	41 Å²	41	40 Å²	40	19%	0.192	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	107.4	163.3	177	178.8	156.9	0	0	108.1	N304 H367 P449 K450 F451	N304-E365 WeakPolarHBondContact OD1-CA 3.45Å; N304-E365 WeakPolarHBondContact OD1-CB 3.49Å; N304-E365 WeakPolarHBondContact OD1-CG 3.32Å; E365-H367 WeakPolarHBondContact CG-NE2 3.37Å; E365-H367 IonicContact OE1-NE2 2.89Å; E365-H367 PolarHBondContact OE1-NE2 3.42Å; E365-P449 PolarHBondContact N-O 3.04Å; E365-K450 HydrophobicContact CB-CG 4.16Å; E365-K450 HydrophobicContact CG-CG 4.41Å; E365-K450 CarbonylContact O-C 3.59Å; E365-K450 WeakPolarHBondContact O-CA 3.46Å; E365-K450 IonicContact OE1-NZ 2.66Å; E365-K450 PolarHBondContact OE1-NZ 2.82Å; E365-K450 WeakPolarHBondContact OE2-CE 3.24Å; E365-K450 IonicContact OE2-NZ 3.71Å; E365-K450 PolarHBondContact OE2-NZ 3.43Å; E365-F451 PolarHBondContact O-N 3.3Å
366	V	98.2	Very high	92.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.8	-170.4	175.4	0	0	0	0	110.3	F278 Q302 M303 F307 L318 I320 V364 I368	F278-V366 HydrophobicContact CE1-CG1 4.07Å; F278-V366 HydrophobicContact CZ-CG1 4.09Å; Q302-V366 VanDerWaalsContact CA-O 3.27Å; Q302-V366 WeakPolarHBondContact CA-O 3.46Å; M303-V366 HydrophobicContact CG-CB 4.34Å; M303-V366 PolarHBondContact N-O 2.84Å; M303-V366 PolarHBondContact O-N 3.18Å; F307-V366 HydrophobicContact CD2-CG2 3.91Å; F307-V366 HydrophobicContact CE2-CG2 4.3Å; L318-V366 HydrophobicContact CD1-CG2 4Å; L318-V366 HydrophobicContact CD2-CB 4.32Å; L318-V366 HydrophobicContact CD2-CG1 3.56Å; L318-V366 HydrophobicContact CD2-CG2 3.8Å; I320-V366 HydrophobicContact CD1-CG1 4.23Å; V364-V366 HydrophobicContact CB-CG2 3.91Å; V364-V366 HydrophobicContact CG1-CG2 3.67Å; V366-I368 HydrophobicContact CG1-CD1 4.36Å; V366-I368 HydrophobicContact CG1-CG1 3.63Å
367	H	98.4	Very high	92.6	Very high	22 Å²	22	43.9 Å²	43.9	10%	0.102	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	112	171.7	-61.2	-119.6	0	0	0	108.9	M300 M301 Q302 E365 F451 I452 A453	M300-H367 HydrophobicContact CG-CB 3.85Å; M300-H367 HydrophobicContact SD-CB 3.83Å; M301-H367 VanDerWaalsContact O-CA 3.3Å; M301-H367 WeakPolarHBondContact O-CA 3.21Å; Q302-H367 WeakPolarHBondContact CG-ND1 3.45Å; Q302-H367 PolarHBondContact NE2-ND1 2.7Å; Q302-H367 PolarHBondContact OE1-CE1 2.7Å; Q302-H367 VanDerWaalsContact OE1-CE1 3.29Å; E365-H367 WeakPolarHBondContact CG-NE2 3.37Å; E365-H367 IonicContact OE1-NE2 2.89Å; E365-H367 PolarHBondContact OE1-NE2 3.42Å; H367-F451 PolarHBondContact N-O 3.44Å; H367-I452 HydrophobicContact CB-CB 4.45Å; H367-I452 HydrophobicContact CB-CG1 4.4Å; H367-I452 HydrophobicContact CB-CG2 4.18Å; H367-A453 WeakPolarHBondContact O-CB 3.45Å; H367-A453 PolarHBondContact O-N 2.97Å
368	I	97.6	Very high	92.4	Very high	1 Å²	1	48 Å²	48	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132	-178.2	-60.3	-64.5	0	0	0	109.5	M300 M301 L318 I320 F331 V366 F451 A453	M300-I368 PolarHBondContact SD-N 2.84Å; M300-I368 VanDerWaalsContact SD-N 3.35Å; M301-I368 WeakPolarHBondContact CB-O 3.43Å; M301-I368 HydrophobicContact CE-CB 4.25Å; M301-I368 HydrophobicContact CE-CG2 4.05Å; M301-I368 PolarHBondContact N-O 3.38Å; M301-I368 PolarHBondContact O-N 3.45Å; L318-I368 HydrophobicContact CD2-CD1 4.2Å; L318-I368 HydrophobicContact CD2-CG1 4.49Å; I320-I368 HydrophobicContact CD1-CG1 4.39Å; F331-I368 HydrophobicContact CD1-CD1 3.89Å; F331-I368 HydrophobicContact CD1-CG2 4.43Å; F331-I368 HydrophobicContact CD2-CD1 4.23Å; F331-I368 HydrophobicContact CE1-CD1 4.05Å; F331-I368 HydrophobicContact CE1-CG2 3.62Å; F331-I368 HydrophobicContact CE2-CD1 4.39Å; F331-I368 HydrophobicContact CG-CD1 3.98Å; F331-I368 HydrophobicContact CZ-CD1 4.3Å; F331-I368 HydrophobicContact CZ-CG1 4.39Å; F331-I368 HydrophobicContact CZ-CG2 3.79Å; V366-I368 HydrophobicContact CG1-CD1 4.36Å; V366-I368 HydrophobicContact CG1-CG1 3.63Å; I368-F451 HydrophobicContact CD1-CD1 3.74Å; I368-F451 HydrophobicContact CD1-CE1 3.49Å; I368-F451 VanDerWaalsContact CD1-CE1 3.49Å; I368-A453 HydrophobicContact CD1-CB 3.86Å
369	P	96.8	Very high	92.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	143.2	176.4	25.8	-32.3	0	0	0	110.8	F288 V298 E299 M300 F371 F457 Y475	F288-P369 HydrophobicContact CE2-CG 4.47Å; V298-P369 HydrophobicContact CB-CB 4.43Å; V298-P369 HydrophobicContact CG2-CB 4.12Å; E299-P369 CarbonylContact O-C 3.59Å; E299-P369 WeakPolarHBondContact O-CA 3.47Å; M300-P369 VanDerWaalsContact SD-N 3.4Å; P369-F371 HydrophobicContact CG-CD1 4.27Å; P369-F371 WeakPolarHBondContact O-CD1 3.26Å; P369-F457 HydrophobicContact CG-CE1 3.66Å; P369-F457 HydrophobicContact CG-CZ 3.76Å; P369-Y475 HydrophobicContact CB-CE1 3.71Å; P369-Y475 HydrophobicContact CG-CD1 3.79Å; P369-Y475 HydrophobicContact CG-CE1 3.32Å
370	K	93.9	Very high	92.6	Very high	68 Å²	68	46.7 Å²	46.7	30%	0.296	21%	0.208	S	C	.	.			trans	-75.4	130.8	164.7	180	173.1	-177	165	0	108.6	E299 M301 I421 N422 E423	E299-K370 HydrophobicContact CB-CB 4.19Å; E299-K370 PolarHBondContact O-N 2.8Å; M301-K370 HydrophobicContact CG-CB 4.17Å; M301-K370 HydrophobicContact SD-CB 4.24Å; K370-I421 WeakPolarHBondContact CA-O 3.3Å; K370-I421 WeakPolarHBondContact CG-O 3.48Å; K370-N422 HydrophobicContact CD-CB 4.31Å; K370-N422 HydrophobicContact CG-CB 4.24Å; K370-E423 IonicContact NZ-OE1 3.47Å; K370-E423 IonicContact NZ-OE2 3.58Å; K370-E423 PolarHBondContact NZ-OE2 3.31Å
371	F	92.5	Very high	92.8	Very high	9 Å²	9	48.5 Å²	48.5	4%	0.039	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	157.1	178.6	61.1	-95.9	0	0	0	112.6	M329 P369 L373 I421 F457 F459 Y475	M329-F371 HydrophobicContact CE-CZ 4.17Å; P369-F371 HydrophobicContact CG-CD1 4.27Å; P369-F371 WeakPolarHBondContact O-CD1 3.26Å; F371-L373 HydrophobicContact CD2-CD1 3.97Å; F371-L373 HydrophobicContact CD2-CG 3.95Å; F371-L373 HydrophobicContact CE2-CD1 4Å; F371-L373 HydrophobicContact CE2-CG 4.43Å; F371-I421 HydrophobicContact CD1-CB 4.27Å; F371-I421 HydrophobicContact CD1-CG2 4.44Å; F371-I421 HydrophobicContact CD2-CB 4.27Å; F371-I421 HydrophobicContact CD2-CG1 4.17Å; F371-I421 HydrophobicContact CE1-CB 4.08Å; F371-I421 HydrophobicContact CE1-CG1 4.14Å; F371-I421 HydrophobicContact CE1-CG2 4.09Å; F371-I421 HydrophobicContact CE2-CB 4.11Å; F371-I421 HydrophobicContact CE2-CG1 3.59Å; F371-I421 HydrophobicContact CG-CB 4.36Å; F371-I421 HydrophobicContact CZ-CB 4.02Å; F371-I421 HydrophobicContact CZ-CG1 3.57Å; F371-I421 HydrophobicContact CZ-CG2 4.37Å; F371-I421 PolarHBondContact N-O 2.81Å; F371-I421 PolarHBondContact O-N 2.94Å; F371-F457 HydrophobicContact CE1-CE2 4.37Å; F371-F457 HydrophobicContact CE1-CZ 4.04Å; F371-F459 HydrophobicContact CE2-CE1 4.19Å; F371-F459 HydrophobicContact CE2-CZ 4.13Å; F371-F459 HydrophobicContact CZ-CD1 4.21Å; F371-F459 HydrophobicContact CZ-CE1 4.2Å; F371-F459 HydrophobicContact CZ-CG 4.46Å; F371-F459 HydrophobicContact CZ-CZ 4.45Å; F371-Y475 HydrophobicContact CB-CD2 4.08Å; F371-Y475 HydrophobicContact CB-CE2 3.34Å; F371-Y475 AromaticContact CD1-CD2 3.93Å; F371-Y475 HydrophobicContact CD1-CD2 3.93Å; F371-Y475 AromaticContact CD1-CE2 3.81Å; F371-Y475 HydrophobicContact CD1-CE2 3.81Å; F371-Y475 HydrophobicContact CD1-CG 4.34Å; F371-Y475 HydrophobicContact CD2-CD2 4.2Å; F371-Y475 HydrophobicContact CD2-CE2 4.31Å; F371-Y475 HydrophobicContact CE1-CD2 4.4Å; F371-Y475 AromaticContact CG-CD2 3.82Å; F371-Y475 HydrophobicContact CG-CD2 3.82Å; F371-Y475 AromaticContact CG-CE2 3.58Å; F371-Y475 HydrophobicContact CG-CE2 3.58Å
372	K	89.2	Confident	92.7	Very high	94 Å²	94	43.4 Å²	43.4	41%	0.409	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.4	170.9	172.3	177.9	151.1	166.4	0	107.1	F418 I419 E420	K372-F418 HydrophobicContact CD-CE2 4Å; K372-F418 HydrophobicContact CD-CZ 3.63Å; K372-F418 HydrophobicContact CG-CE2 4.25Å; K372-F418 HydrophobicContact CG-CZ 3.92Å; K372-I419 WeakPolarHBondContact CA-O 3.25Å; K372-E420 HydrophobicContact CB-CG 4.42Å
373	L	88.1	Confident	92.8	Very high	1 Å²	1	38 Å²	38	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.9	176.9	-62.8	171.7	0	0	0	109.5	F129 F371 I419 F459	F129-L373 HydrophobicContact CD1-CB 3.6Å; F129-L373 HydrophobicContact CD1-CD1 4.29Å; F129-L373 HydrophobicContact CE1-CB 3.64Å; F129-L373 VanDerWaalsContact CE1-O 3.25Å; F129-L373 WeakPolarHBondContact CE1-O 3.41Å; F371-L373 HydrophobicContact CD2-CD1 3.97Å; F371-L373 HydrophobicContact CD2-CG 3.95Å; F371-L373 HydrophobicContact CE2-CD1 4Å; F371-L373 HydrophobicContact CE2-CG 4.43Å; L373-I419 HydrophobicContact CB-CG2 3.97Å; L373-I419 PolarHBondContact N-O 3Å; L373-I419 PolarHBondContact O-N 3.1Å; L373-F459 HydrophobicContact CD1-CE1 4Å; L373-F459 HydrophobicContact CD1-CZ 3.68Å
374	E	87.5	Confident	92.7	Very high	58 Å²	58	37.3 Å²	37.3	27%	0.271	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122.9	170.9	-175.5	170.3	168.2	0	0	106.5	K416 A417 F418 S480	E374-K416 WeakPolarHBondContact OE1-CE 3.26Å; E374-K416 IonicContact OE1-NZ 3.74Å; E374-K416 PolarHBondContact OE1-NZ 2.83Å; E374-A417 WeakPolarHBondContact CA-O 3.42Å; E374-F418 HydrophobicContact CB-CD2 4.31Å; E374-F418 HydrophobicContact CG-CD2 4.4Å; E374-S480 PolarHBondContact N-OG 3.43Å; E374-S480 WeakPolarHBondContact O-CB 3.24Å; E374-S480 PolarHBondContact O-OG 2.84Å
375	Y	87.9	Confident	92.4	Very high	34 Å²	34	45.7 Å²	45.7	13%	0.133	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	123.3	-175.4	-171.7	-111.1	0	0	0	110.8	A121 V123 F128 F129 I130 L377 K416 A417	A121-Y375 HydrophobicContact CB-CE1 4.5Å; A121-Y375 PolarHBondContact O-OH 3.47Å; V123-Y375 HydrophobicContact CG2-CE2 4.22Å; F128-Y375 HydrophobicContact CB-CD1 4.43Å; F128-Y375 HydrophobicContact CB-CD2 3.7Å; F128-Y375 HydrophobicContact CB-CE1 4.43Å; F128-Y375 HydrophobicContact CB-CE2 3.73Å; F128-Y375 HydrophobicContact CB-CG 4.07Å; F128-Y375 HydrophobicContact CD2-CD1 4.36Å; F128-Y375 AromaticContact CD2-CE1 3.99Å; F128-Y375 HydrophobicContact CD2-CE1 3.99Å; F128-Y375 HydrophobicContact CG-CE2 4.47Å; F129-Y375 WeakPolarHBondContact O-CB 3.32Å; F129-Y375 WeakPolarHBondContact O-CD1 3.31Å; I130-Y375 HydrophobicContact CG2-CD1 3.92Å; I130-Y375 HydrophobicContact CG2-CE1 4.02Å; Y375-L377 HydrophobicContact CD1-CB 4.31Å; Y375-L377 HydrophobicContact CE1-CB 4.01Å; Y375-L377 HydrophobicContact CE1-CD1 4Å; Y375-K416 VanDerWaalsContact O-CA 3.32Å; Y375-K416 WeakPolarHBondContact O-CA 3.46Å; Y375-A417 PolarHBondContact N-O 3.14Å; Y375-A417 VanDerWaalsContact N-O 3.09Å; Y375-A417 PolarHBondContact O-N 2.93Å; Y375-A417 VanDerWaalsContact O-N 3.08Å
376	E	89.9	Confident	91.8	Very high	92 Å²	92	44.5 Å²	44.5	43%	0.43	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.6	170.7	-173.2	-172.2	140.8	0	0	109.1	K416	E376-K416 HydrophobicContact CB-CD 4.48Å
377	L	88.8	Confident	91.4	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129	176.4	177.3	68.6	0	0	0	109.5	T117 A121 I130 I135 Y375 L379 T382 H415	T117-L377 HydrophobicContact CG2-CD2 4.41Å; A121-L377 HydrophobicContact CB-CD1 3.47Å; A121-L377 VanDerWaalsContact CB-CD1 3.47Å; I130-L377 HydrophobicContact CG2-CD2 4.21Å; I135-L377 HydrophobicContact CD1-CD2 3.84Å; Y375-L377 HydrophobicContact CD1-CB 4.31Å; Y375-L377 HydrophobicContact CE1-CB 4.01Å; Y375-L377 HydrophobicContact CE1-CD1 4Å; L377-L379 HydrophobicContact CD2-CB 4.41Å; L377-L379 HydrophobicContact CD2-CD1 3.87Å; L377-L379 HydrophobicContact CG-CB 4.41Å; L377-L379 PolarHBondContact O-N 2.96Å; L377-T382 HydrophobicContact CD1-CG2 4.26Å; L377-T382 WeakPolarHBondContact CD1-OG1 3.24Å; L377-T382 HydrophobicContact CD2-CG2 4.39Å; L377-H415 HydrophobicContact CB-CB 4.08Å; L377-H415 HydrophobicContact CD2-CB 4.37Å; L377-H415 PolarHBondContact N-O 3.38Å
378	K	86.8	Confident	91.2	Very high	150 Å²	150	44.5 Å²	44.5	65%	0.652	20%	0.2	S	C	*	.			trans	-67.1	69.6	165.3	-72	-175.2	-177.8	178.2	0	110.4	K380 Q381 T382	K378-K380 PolarHBondContact O-N 3.4Å; K378-Q381 PolarHBondContact O-N 3Å; K378-Q381 PolarHBondContact O-OE1 2.79Å; K378-T382 WeakPolarHBondContact O-CB 3.12Å; K378-T382 PolarHBondContact O-N 2.84Å; K378-T382 PolarHBondContact O-OG1 2.9Å
379	L	92.2	Very high	91.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-44	-163.5	176.8	65.5	0	0	0	111.2	I135 L377 Q381 T382 L383 A413 H415	I135-L379 HydrophobicContact CD1-CD1 4.28Å; I135-L379 HydrophobicContact CG1-CD1 4.39Å; I135-L379 HydrophobicContact CG2-CD1 3.77Å; L377-L379 HydrophobicContact CD2-CB 4.41Å; L377-L379 HydrophobicContact CD2-CD1 3.87Å; L377-L379 HydrophobicContact CG-CB 4.41Å; L377-L379 PolarHBondContact O-N 2.96Å; L379-Q381 PolarHBondContact O-N 3.07Å; L379-T382 WeakPolarHBondContact O-CB 3.32Å; L379-T382 PolarHBondContact O-N 3.37Å; L379-L383 HydrophobicContact CD1-CD1 3.72Å; L379-L383 HydrophobicContact CD1-CD2 4.04Å; L379-L383 HydrophobicContact CD1-CG 3.73Å; L379-L383 HydrophobicContact CD2-CD1 4.26Å; L379-L383 HydrophobicContact CG-CD1 3.63Å; L379-L383 HydrophobicContact CG-CG 4.09Å; L379-L383 WeakPolarHBondContact O-CB 3.23Å; L379-L383 WeakPolarHBondContact O-CG 3.4Å; L379-L383 PolarHBondContact O-N 3.33Å; L379-A413 HydrophobicContact CB-CB 4.38Å; L379-A413 WeakPolarHBondContact CB-O 3.35Å; L379-A413 HydrophobicContact CD2-CB 3.94Å; L379-A413 HydrophobicContact CG-CB 4.09Å; L379-H415 HydrophobicContact CB-CB 4.14Å; L379-H415 HydrophobicContact CD2-CB 4.05Å; L379-H415 HydrophobicContact CG-CB 4.47Å
380	K	93.4	Very high	91.2	Very high	39 Å²	39	48 Å²	48	17%	0.17	22%	0.221	C	C	.	.	H	α-helix	trans	-53.4	-52	175.5	173.1	171.3	170.5	-175.9	0	112.7	K378 T382 L383 Q384 F392 S411 E412 A413	K378-K380 PolarHBondContact O-N 3.4Å; K380-T382 VanDerWaalsContact C-N 3.34Å; K380-T382 PolarHBondContact O-N 3.01Å; K380-L383 PolarHBondContact O-N 2.92Å; K380-Q384 WeakPolarHBondContact O-CG 3.45Å; K380-Q384 PolarHBondContact O-N 3.31Å; K380-F392 HydrophobicContact CB-CD1 4.5Å; K380-F392 HydrophobicContact CB-CE1 4Å; K380-F392 HydrophobicContact CB-CZ 4.35Å; K380-F392 HydrophobicContact CD-CD1 4.02Å; K380-F392 HydrophobicContact CD-CE1 4.28Å; K380-F392 HydrophobicContact CG-CD1 3.73Å; K380-F392 HydrophobicContact CG-CE1 3.72Å; K380-F392 HydrophobicContact CG-CG 4.27Å; K380-F392 HydrophobicContact CG-CZ 4.23Å; K380-S411 WeakPolarHBondContact CD-O 3.3Å; K380-S411 WeakPolarHBondContact CE-O 3.2Å; K380-S411 PolarHBondContact NZ-O 2.79Å; K380-E412 WeakPolarHBondContact CD-OE2 3.27Å; K380-E412 IonicContact NZ-OE1 3.75Å; K380-E412 PolarHBondContact NZ-OE1 2.85Å; K380-E412 IonicContact NZ-OE2 3.41Å; K380-A413 HydrophobicContact CB-CB 4.32Å; K380-A413 PolarHBondContact N-O 3.18Å
381	Q	92.3	Very high	91.4	Very high	81 Å²	81	44.8 Å²	44.8	38%	0.379	21%	0.207	S	C	.	.	H	α-helix	trans	-65.8	-39.9	-179.1	-64.4	79.7	4.5	0	0	111.4	K378 L379 Q384 R385	K378-Q381 PolarHBondContact O-N 3Å; K378-Q381 PolarHBondContact O-OE1 2.79Å; L379-Q381 PolarHBondContact O-N 3.07Å; Q381-Q384 PolarHBondContact O-N 3.21Å; Q381-R385 WeakPolarHBondContact O-CG 3.19Å; Q381-R385 PolarHBondContact O-N 3.48Å; Q381-R385 VanDerWaalsContact O-N 3.09Å
382	T	92.1	Very high	91.7	Very high	8 Å²	8	45.2 Å²	45.2	5%	0.049	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-47.4	175.5	-54	0	0	0	0	110.6	T117 E120 L377 K378 L379 K380 R385 F386	T117-T382 HydrophobicContact CG2-CG2 4.43Å; E120-T382 HydrophobicContact CB-CG2 3.49Å; E120-T382 VanDerWaalsContact CB-CG2 3.49Å; L377-T382 HydrophobicContact CD1-CG2 4.26Å; L377-T382 WeakPolarHBondContact CD1-OG1 3.24Å; L377-T382 HydrophobicContact CD2-CG2 4.39Å; K378-T382 WeakPolarHBondContact O-CB 3.12Å; K378-T382 PolarHBondContact O-N 2.84Å; K378-T382 PolarHBondContact O-OG1 2.9Å; L379-T382 WeakPolarHBondContact O-CB 3.32Å; L379-T382 PolarHBondContact O-N 3.37Å; K380-T382 VanDerWaalsContact C-N 3.34Å; K380-T382 PolarHBondContact O-N 3.01Å; T382-R385 PolarHBondContact O-N 3.42Å; T382-F386 VanDerWaalsContact O-CB 3.31Å; T382-F386 WeakPolarHBondContact O-CB 3.47Å; T382-F386 PolarHBondContact O-N 3.09Å
383	L	93.1	Very high	92	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-68.9	-34.9	-179.6	-65.4	172.2	0	0	0	112.6	L139 L379 K380 F386 G387 L388 F392	L139-L383 HydrophobicContact CD1-CD1 4.3Å; L139-L383 HydrophobicContact CD1-CD2 3.59Å; L139-L383 HydrophobicContact CD2-CD1 3.75Å; L139-L383 HydrophobicContact CD2-CD2 4.44Å; L379-L383 HydrophobicContact CD1-CD1 3.72Å; L379-L383 HydrophobicContact CD1-CD2 4.04Å; L379-L383 HydrophobicContact CD1-CG 3.73Å; L379-L383 HydrophobicContact CD2-CD1 4.26Å; L379-L383 HydrophobicContact CG-CD1 3.63Å; L379-L383 HydrophobicContact CG-CG 4.09Å; L379-L383 WeakPolarHBondContact O-CB 3.23Å; L379-L383 WeakPolarHBondContact O-CG 3.4Å; L379-L383 PolarHBondContact O-N 3.33Å; K380-L383 PolarHBondContact O-N 2.92Å; L383-F386 CarbonylContact O-C 3.57Å; L383-F386 WeakPolarHBondContact O-CB 3.43Å; L383-F386 PolarHBondContact O-N 2.94Å; L383-G387 PolarHBondContact O-N 3.05Å; L383-G387 VanDerWaalsContact O-N 3.16Å; L383-L388 HydrophobicContact CB-CB 4.27Å; L383-L388 HydrophobicContact CB-CD1 4.26Å; L383-L388 HydrophobicContact CD2-CD1 3.78Å; L383-L388 HydrophobicContact CG-CD1 4.46Å; L383-L388 WeakPolarHBondContact O-CB 3.49Å; L383-L388 PolarHBondContact O-N 2.93Å; L383-F392 HydrophobicContact CB-CE2 3.74Å; L383-F392 HydrophobicContact CB-CZ 3.95Å; L383-F392 HydrophobicContact CD1-CE2 4.37Å; L383-F392 HydrophobicContact CD1-CZ 3.81Å
384	Q	93.8	Very high	92.3	Very high	80 Å²	80	48.5 Å²	48.5	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-62.6	-44.6	173.2	-74	176.6	-41.7	0	0	111.7	K380 Q381 F386 G387 F392	K380-Q384 WeakPolarHBondContact O-CG 3.45Å; K380-Q384 PolarHBondContact O-N 3.31Å; Q381-Q384 PolarHBondContact O-N 3.21Å; Q384-F386 VanDerWaalsContact C-N 3.3Å; Q384-F386 PolarHBondContact O-N 3.18Å; Q384-G387 WeakPolarHBondContact O-CA 3.46Å; Q384-G387 PolarHBondContact O-N 2.91Å; Q384-F392 HydrophobicContact CG-CD2 3.69Å; Q384-F392 HydrophobicContact CG-CE2 4.16Å; Q384-F392 HydrophobicContact CG-CG 4.35Å
385	R	90.5	Very high	92.8	Very high	177 Å²	177	55.8 Å²	55.8	67%	0.668	25%	0.254	S	S	*	.	H	α-helix	trans	-65.8	-35	174.9	-67	176.4	-175.9	173.5	-0.4	112.4	E120 Q381 T382 G387	E120-R385 HydrophobicContact CG-CB 4.49Å; E120-R385 WeakPolarHBondContact OE2-CB 3.32Å; E120-R385 VanDerWaalsContact OE2-CD 3.3Å; E120-R385 WeakPolarHBondContact OE2-CD 3.31Å; Q381-R385 WeakPolarHBondContact O-CG 3.19Å; Q381-R385 PolarHBondContact O-N 3.48Å; Q381-R385 VanDerWaalsContact O-N 3.09Å; T382-R385 PolarHBondContact O-N 3.42Å; R385-G387 PolarHBondContact O-N 3.02Å; R385-G387 VanDerWaalsContact O-N 3.12Å
386	F	84	Confident	93.2	Very high	16 Å²	16	57.3 Å²	57.3	7%	0.07	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-12.5	171.5	-170.4	-115.8	0	0	0	113.4	F113 R116 K157 L158 T382 L383 Q384 L388	F113-F386 AromaticContact CD2-CE1 3.99Å; F113-F386 HydrophobicContact CD2-CE1 3.99Å; F113-F386 AromaticContact CD2-CZ 3.73Å; F113-F386 HydrophobicContact CD2-CZ 3.73Å; F113-F386 AromaticContact CE2-CE1 3.73Å; F113-F386 HydrophobicContact CE2-CE1 3.73Å; F113-F386 AromaticContact CE2-CZ 3.9Å; F113-F386 HydrophobicContact CE2-CZ 3.9Å; R116-F386 HydrophobicContact CB-CD2 4.07Å; R116-F386 HydrophobicContact CB-CE2 3.46Å; R116-F386 VanDerWaalsContact CB-CE2 3.46Å; R116-F386 HydrophobicContact CB-CZ 4.48Å; R116-F386 HydrophobicContact CG-CE2 4.21Å; K157-F386 HydrophobicContact CB-CD1 4.23Å; K157-F386 HydrophobicContact CB-CE1 3.64Å; K157-F386 HydrophobicContact CB-CZ 4.27Å; K157-F386 WeakPolarHBondContact O-CE1 3.48Å; K157-F386 VanDerWaalsContact O-CZ 3.24Å; K157-F386 WeakPolarHBondContact O-CZ 3.47Å; L158-F386 HydrophobicContact CD2-CE1 4.33Å; T382-F386 VanDerWaalsContact O-CB 3.31Å; T382-F386 WeakPolarHBondContact O-CB 3.47Å; T382-F386 PolarHBondContact O-N 3.09Å; L383-F386 CarbonylContact O-C 3.57Å; L383-F386 WeakPolarHBondContact O-CB 3.43Å; L383-F386 PolarHBondContact O-N 2.94Å; Q384-F386 VanDerWaalsContact C-N 3.3Å; Q384-F386 PolarHBondContact O-N 3.18Å; F386-L388 HydrophobicContact CD1-CD1 3.87Å; F386-L388 HydrophobicContact CD1-CG 3.99Å; F386-L388 HydrophobicContact CE1-CD1 4.33Å
387	G	90.8	Very high	93.6	Very high	21 Å²	21	53 Å²	53	22%	0.216	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	13.8	176.4	0	0	0	0	0	114.3	Q153 L383 Q384 R385 T389	Q153-G387 VanDerWaalsContact CG-O 3.32Å; Q153-G387 WeakPolarHBondContact CG-O 3.47Å; Q153-G387 PolarHBondContact NE2-O 3.34Å; L383-G387 PolarHBondContact O-N 3.05Å; L383-G387 VanDerWaalsContact O-N 3.16Å; Q384-G387 WeakPolarHBondContact O-CA 3.46Å; Q384-G387 PolarHBondContact O-N 2.91Å; R385-G387 PolarHBondContact O-N 3.02Å; R385-G387 VanDerWaalsContact O-N 3.12Å; G387-T389 PolarHBondContact O-N 3.36Å
388	L	94.6	Very high	94.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.248	C	C	.	.			trans	-91.1	81.8	169.5	-62.4	174.4	0	0	0	108.8	L139 Q153 M154 K157 L158 L383 F386 M391 F392	L139-L388 HydrophobicContact CD1-CD1 4.39Å; Q153-L388 HydrophobicContact CG-CD2 4.29Å; M154-L388 HydrophobicContact CB-CD2 4.42Å; M154-L388 HydrophobicContact CG-CD2 4.07Å; K157-L388 HydrophobicContact CB-CD2 3.82Å; K157-L388 HydrophobicContact CB-CG 4.37Å; K157-L388 HydrophobicContact CG-CD2 3.99Å; L158-L388 HydrophobicContact CD2-CD1 4.12Å; L383-L388 HydrophobicContact CB-CB 4.27Å; L383-L388 HydrophobicContact CB-CD1 4.26Å; L383-L388 HydrophobicContact CD2-CD1 3.78Å; L383-L388 HydrophobicContact CG-CD1 4.46Å; L383-L388 WeakPolarHBondContact O-CB 3.49Å; L383-L388 PolarHBondContact O-N 2.93Å; F386-L388 HydrophobicContact CD1-CD1 3.87Å; F386-L388 HydrophobicContact CD1-CG 3.99Å; F386-L388 HydrophobicContact CE1-CD1 4.33Å; L388-M391 HydrophobicContact CB-CG 4.36Å; L388-M391 HydrophobicContact CB-SD 3.86Å; L388-M391 HydrophobicContact CD1-SD 4.27Å; L388-F392 WeakPolarHBondContact O-CD2 3.28Å; L388-F392 VanDerWaalsContact O-CE2 3.23Å; L388-F392 WeakPolarHBondContact O-CE2 3.44Å
389	T	96.7	Very high	94.6	Very high	63 Å²	63	46.4 Å²	46.4	39%	0.387	22%	0.217	S	C	.	.			trans	-101.5	-37.8	-174	55.3	0	0	0	0	113	Q153 G387 M391 F392	Q153-T389 PolarHBondContact NE2-OG1 3.35Å; G387-T389 PolarHBondContact O-N 3.36Å; T389-M391 VanDerWaalsContact C-N 3.29Å; T389-M391 PolarHBondContact O-N 3.25Å; T389-F392 PolarHBondContact O-N 2.77Å; T389-F392 VanDerWaalsContact O-N 3.14Å
390	D	98	Very high	94.9	Very high	13 Å²	13	47.6 Å²	47.6	7%	0.07	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-66.5	-36.9	-171	-76	21.9	0	0	0	110.8	N149 F392 S393 L396 A397	N149-D390 PolarHBondContact ND2-OD2 3.01Å; D390-F392 PolarHBondContact O-N 2.94Å; D390-F392 VanDerWaalsContact O-N 3.16Å; D390-S393 PolarHBondContact O-N 3.46Å; D390-S393 VanDerWaalsContact O-N 3.07Å; D390-L396 HydrophobicContact CB-CB 4.25Å; D390-A397 VanDerWaalsContact O-CA 3.28Å; D390-A397 WeakPolarHBondContact O-CA 3.43Å; D390-A397 VanDerWaalsContact O-CB 3.31Å; D390-A397 WeakPolarHBondContact O-CB 3.27Å; D390-A397 PolarHBondContact O-N 2.97Å
391	M	97.7	Very high	95.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-60.2	-24.8	178.4	65.7	-178.9	-65.1	0	0	113.6	L139 T142 T150 M154 L388 T389 F399 V410	L139-M391 HydrophobicContact CD2-CE 4.03Å; L139-M391 HydrophobicContact CD2-SD 4.44Å; T142-M391 HydrophobicContact CG2-CE 3.96Å; T150-M391 HydrophobicContact CG2-CB 4.06Å; M154-M391 HydrophobicContact CE-CE 4.37Å; M154-M391 HydrophobicContact CE-SD 4.39Å; L388-M391 HydrophobicContact CB-CG 4.36Å; L388-M391 HydrophobicContact CB-SD 3.86Å; L388-M391 HydrophobicContact CD1-SD 4.27Å; T389-M391 VanDerWaalsContact C-N 3.29Å; T389-M391 PolarHBondContact O-N 3.25Å; M391-F399 HydrophobicContact CB-CE2 4Å; M391-F399 HydrophobicContact CB-CZ 3.7Å; M391-V410 HydrophobicContact CE-CB 4.2Å; M391-V410 HydrophobicContact CE-CG2 3.71Å; M391-V410 PolarHBondContact O-N 3.27Å
392	F	97.3	Very high	95.4	Very high	18 Å²	18	47.3 Å²	47.3	8%	0.079	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-97.3	-0.7	179.3	-60	-73.9	0	0	0	113.7	K380 L383 Q384 L388 T389 D390 V410 A413	K380-F392 HydrophobicContact CB-CD1 4.5Å; K380-F392 HydrophobicContact CB-CE1 4Å; K380-F392 HydrophobicContact CB-CZ 4.35Å; K380-F392 HydrophobicContact CD-CD1 4.02Å; K380-F392 HydrophobicContact CD-CE1 4.28Å; K380-F392 HydrophobicContact CG-CD1 3.73Å; K380-F392 HydrophobicContact CG-CE1 3.72Å; K380-F392 HydrophobicContact CG-CG 4.27Å; K380-F392 HydrophobicContact CG-CZ 4.23Å; L383-F392 HydrophobicContact CB-CE2 3.74Å; L383-F392 HydrophobicContact CB-CZ 3.95Å; L383-F392 HydrophobicContact CD1-CE2 4.37Å; L383-F392 HydrophobicContact CD1-CZ 3.81Å; Q384-F392 HydrophobicContact CG-CD2 3.69Å; Q384-F392 HydrophobicContact CG-CE2 4.16Å; Q384-F392 HydrophobicContact CG-CG 4.35Å; L388-F392 WeakPolarHBondContact O-CD2 3.28Å; L388-F392 VanDerWaalsContact O-CE2 3.23Å; L388-F392 WeakPolarHBondContact O-CE2 3.44Å; T389-F392 PolarHBondContact O-N 2.77Å; T389-F392 VanDerWaalsContact O-N 3.14Å; D390-F392 PolarHBondContact O-N 2.94Å; D390-F392 VanDerWaalsContact O-N 3.16Å; F392-V410 WeakPolarHBondContact CA-O 3.36Å; F392-V410 HydrophobicContact CD1-CB 3.98Å; F392-V410 HydrophobicContact CD1-CG1 3.97Å; F392-V410 VanDerWaalsContact CD1-O 3.27Å; F392-V410 WeakPolarHBondContact CD1-O 3.46Å; F392-V410 HydrophobicContact CE1-CB 4.01Å; F392-V410 HydrophobicContact CE1-CG1 3.61Å; F392-A413 HydrophobicContact CE1-CB 4.09Å; F392-A413 HydrophobicContact CZ-CB 4.41Å
393	S	96.6	Very high	95.6	Very high	34 Å²	34	47.4 Å²	47.4	24%	0.238	22%	0.223	C	C	.	.			trans	-102	118.9	-175.9	173.5	0	0	0	0	110.9	D390 R395 L396 A397	D390-S393 PolarHBondContact O-N 3.46Å; D390-S393 VanDerWaalsContact O-N 3.07Å; S393-R395 PolarHBondContact O-N 3.49Å; S393-R395 VanDerWaalsContact O-N 3.16Å; S393-R395 PolarHBondContact OG-N 3.29Å; S393-L396 PolarHBondContact O-N 2.9Å; S393-L396 PolarHBondContact OG-N 2.94Å; S393-A397 WeakPolarHBondContact O-CB 3.42Å; S393-A397 PolarHBondContact O-N 3.4Å
394	E	95.2	Very high	95.7	Very high	130 Å²	130	49.8 Å²	49.8	61%	0.607	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-35.2	175	-179.1	170.6	-163.2	0	0	112.7	Y409	E394-Y409 HydrophobicContact CB-CD1 3.73Å; E394-Y409 HydrophobicContact CB-CE1 3.6Å; E394-Y409 HydrophobicContact CB-CE2 4.49Å; E394-Y409 HydrophobicContact CB-CG 4.22Å; E394-Y409 HydrophobicContact CG-CD1 3.9Å; E394-Y409 HydrophobicContact CG-CE1 3.58Å
395	R	96.1	Very high	95.7	Very high	210 Å²	210	51.7 Å²	51.7	79%	0.792	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-36.8	-179.1	-169.2	-178.2	76.5	175.6	2.8	113.3	S393	S393-R395 PolarHBondContact O-N 3.49Å; S393-R395 VanDerWaalsContact O-N 3.16Å; S393-R395 PolarHBondContact OG-N 3.29Å
396	L	97.6	Very high	95.9	Very high	66 Å²	66	50.9 Å²	50.9	35%	0.346	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-33.1	-168.5	-60	175.7	0	0	0	112.6	D390 S393 N398 R406	D390-L396 HydrophobicContact CB-CB 4.25Å; S393-L396 PolarHBondContact O-N 2.9Å; S393-L396 PolarHBondContact OG-N 2.94Å; L396-N398 PolarHBondContact O-N 3.34Å; L396-R406 PolarHBondContact O-NH2 2.85Å
397	A	98.1	Very high	96.2	Very high	2 Å²	2	53.3 Å²	53.3	2%	0.017	27%	0.266	C	S	.	.			trans	-52.9	136.4	-175.1	0	0	0	0	0	111.4	D390 S393 F399 L408	D390-A397 VanDerWaalsContact O-CA 3.28Å; D390-A397 WeakPolarHBondContact O-CA 3.43Å; D390-A397 VanDerWaalsContact O-CB 3.31Å; D390-A397 WeakPolarHBondContact O-CB 3.27Å; D390-A397 PolarHBondContact O-N 2.97Å; S393-A397 WeakPolarHBondContact O-CB 3.42Å; S393-A397 PolarHBondContact O-N 3.4Å; A397-F399 HydrophobicContact CB-CD2 4.1Å; A397-F399 HydrophobicContact CB-CE2 4.17Å; A397-L408 VanDerWaalsContact CB-O 3.29Å; A397-L408 WeakPolarHBondContact CB-O 3.39Å
398	N	98.4	Very high	96.4	Very high	15 Å²	15	52.5 Å²	52.5	8%	0.08	26%	0.256	C	S	.	.			trans	-130	86.8	174.5	-174.5	-5.9	0	0	0	108.9	S146 S147 T150 L396 S400	S146-N398 CarbonylContact C-O 3.51Å; S146-N398 WeakPolarHBondContact CA-O 3.34Å; S147-N398 PolarHBondContact N-O 3.46Å; S147-N398 WeakPolarHBondContact O-CB 3.39Å; T150-N398 PolarHBondContact OG1-N 2.9Å; L396-N398 PolarHBondContact O-N 3.34Å; N398-S400 VanDerWaalsContact OD1-CB 3.26Å; N398-S400 WeakPolarHBondContact OD1-CB 3.15Å; N398-S400 PolarHBondContact OD1-N 3.35Å; N398-S400 PolarHBondContact OD1-OG 3.36Å
399	F	98.1	Very high	96.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.262	C	S	.	.			trans	-100.9	34.7	171.1	-70.1	-68.8	0	0	0	112.3	T142 G145 T150 M154 L262 M391 A397 K401 I402 L408 V410	T142-F399 HydrophobicContact CG2-CE1 3.52Å; T142-F399 HydrophobicContact CG2-CZ 3.72Å; T142-F399 WeakPolarHBondContact O-CE1 3.44Å; G145-F399 CarbonylContact O-C 3.51Å; G145-F399 VanDerWaalsContact O-C 3.24Å; G145-F399 WeakPolarHBondContact O-CA 3.18Å; T150-F399 HydrophobicContact CG2-CE1 4.39Å; T150-F399 HydrophobicContact CG2-CE2 4.38Å; T150-F399 HydrophobicContact CG2-CZ 4.05Å; M154-F399 HydrophobicContact SD-CE1 4.41Å; L262-F399 HydrophobicContact CD1-CD2 4.33Å; L262-F399 HydrophobicContact CD1-CG 4.45Å; M391-F399 HydrophobicContact CB-CE2 4Å; M391-F399 HydrophobicContact CB-CZ 3.7Å; A397-F399 HydrophobicContact CB-CD2 4.1Å; A397-F399 HydrophobicContact CB-CE2 4.17Å; F399-K401 PolarHBondContact O-N 2.69Å; F399-K401 VanDerWaalsContact O-N 3.1Å; F399-I402 HydrophobicContact CB-CD1 3.92Å; F399-I402 HydrophobicContact CB-CG1 4.16Å; F399-I402 HydrophobicContact CD1-CD1 4.04Å; F399-I402 HydrophobicContact CG-CD1 4.2Å; F399-I402 WeakPolarHBondContact O-CB 3.44Å; F399-I402 PolarHBondContact O-N 2.75Å; F399-L408 HydrophobicContact CB-CB 3.9Å; F399-L408 WeakPolarHBondContact CD2-O 2.95Å; F399-V410 HydrophobicContact CE2-CG2 3.92Å; F399-V410 HydrophobicContact CZ-CG2 3.9Å
400	S	98.1	Very high	96.5	Very high	24 Å²	24	50.9 Å²	50.9	17%	0.168	24%	0.243	C	C	.	.	H	α-helix	trans	-64	-12.8	-179.9	57.7	0	0	0	0	114.5	N398 G404 K405	N398-S400 VanDerWaalsContact OD1-CB 3.26Å; N398-S400 WeakPolarHBondContact OD1-CB 3.15Å; N398-S400 PolarHBondContact OD1-N 3.35Å; N398-S400 PolarHBondContact OD1-OG 3.36Å; S400-G404 WeakPolarHBondContact O-CA 3.35Å; S400-G404 PolarHBondContact O-N 3.28Å; S400-K405 WeakPolarHBondContact CA-O 3.49Å; S400-K405 WeakPolarHBondContact CB-O 3.33Å; S400-K405 PolarHBondContact N-O 3.49Å
401	K	97.9	Very high	96.5	Very high	115 Å²	115	50.7 Å²	50.7	50%	0.5	24%	0.243	S	C	.	.	H	α-helix	trans	-79.2	-8.7	170	-58.9	-64.3	-172.1	174.5	0	112.6	G145 F208 F399	G145-K401 WeakPolarHBondContact O-CB 3.45Å; G145-K401 PolarHBondContact O-N 2.74Å; F208-K401 WeakPolarHBondContact CB-O 3.2Å; F399-K401 PolarHBondContact O-N 2.69Å; F399-K401 VanDerWaalsContact O-N 3.1Å
402	I	97.9	Very high	96.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-86.5	-43.7	170.9	-54.3	-175.5	0	0	0	111	V204 L205 F208 M220 L262 F399 L408	V204-I402 CarbonylContact C-O 3.5Å; V204-I402 WeakPolarHBondContact CA-O 3.32Å; V204-I402 HydrophobicContact CG1-CG2 4.04Å; L205-I402 PolarHBondContact N-O 3.04Å; F208-I402 HydrophobicContact CD1-CG1 4.36Å; F208-I402 HydrophobicContact CD1-CG2 4.09Å; F208-I402 HydrophobicContact CD2-CG1 4.08Å; F208-I402 HydrophobicContact CE1-CD1 4.45Å; F208-I402 HydrophobicContact CE1-CG1 4.22Å; F208-I402 HydrophobicContact CE1-CG2 4.12Å; F208-I402 HydrophobicContact CE2-CD1 4.34Å; F208-I402 HydrophobicContact CE2-CG1 3.95Å; F208-I402 HydrophobicContact CG-CG1 4.29Å; F208-I402 HydrophobicContact CZ-CD1 4.08Å; F208-I402 HydrophobicContact CZ-CG1 4.02Å; M220-I402 HydrophobicContact CE-CG2 4.21Å; M220-I402 HydrophobicContact SD-CG2 3.99Å; L262-I402 HydrophobicContact CD1-CD1 3.97Å; F399-I402 HydrophobicContact CB-CD1 3.92Å; F399-I402 HydrophobicContact CB-CG1 4.16Å; F399-I402 HydrophobicContact CD1-CD1 4.04Å; F399-I402 HydrophobicContact CG-CD1 4.2Å; F399-I402 WeakPolarHBondContact O-CB 3.44Å; F399-I402 PolarHBondContact O-N 2.75Å; I402-L408 HydrophobicContact CB-CD1 3.94Å; I402-L408 HydrophobicContact CD1-CD1 4.46Å; I402-L408 HydrophobicContact CG2-CD1 3.78Å
403	T	96.5	Very high	96.3	Very high	10 Å²	10	52 Å²	52	6%	0.061	25%	0.25	C	C	.	.	H	α-helix	trans	-125.6	-4.3	-170.2	55.6	0	0	0	0	115.7	L202 Q203 K405 D407 L408	L202-T403 HydrophobicContact CD2-CG2 4.25Å; Q203-T403 WeakPolarHBondContact O-CA 3.38Å; T403-K405 PolarHBondContact O-N 3.09Å; T403-K405 PolarHBondContact OG1-N 3.23Å; T403-K405 PolarHBondContact OG1-O 2.92Å; T403-D407 PolarHBondContact OG1-OD1 3.43Å; T403-L408 HydrophobicContact CG2-CD1 3.37Å; T403-L408 HydrophobicContact CG2-CG 4.1Å
404	G	95.8	Very high	96.1	Very high	52 Å²	52	51.3 Å²	51.3	54%	0.536	24%	0.243	S	C	.	.	S	Bend	trans	77.3	-1.3	-168.7	0	0	0	0	0	114.2	S400	S400-G404 WeakPolarHBondContact O-CA 3.35Å; S400-G404 PolarHBondContact O-N 3.28Å
405	K	94.9	Very high	96.1	Very high	120 Å²	120	45.1 Å²	45.1	52%	0.522	21%	0.214	S	C	.	.	S	Bend	trans	-130.7	162.1	-174.7	-63	175.9	-172.2	171.6	0	111.7	S400 T403 D407	S400-K405 WeakPolarHBondContact CA-O 3.49Å; S400-K405 WeakPolarHBondContact CB-O 3.33Å; S400-K405 PolarHBondContact N-O 3.49Å; T403-K405 PolarHBondContact O-N 3.09Å; T403-K405 PolarHBondContact OG1-N 3.23Å; T403-K405 PolarHBondContact OG1-O 2.92Å; K405-D407 VanDerWaalsContact C-N 3.28Å; K405-D407 HydrophobicContact CB-CB 4.28Å; K405-D407 PolarHBondContact O-N 3.46Å
406	R	93	Very high	95.9	Very high	160 Å²	160	36.1 Å²	36.1	60%	0.604	18%	0.18	S	C	*	.	S	Bend	trans	-93.8	53.9	173.6	-65	-176	67.6	158.7	1.5	111	L396	L396-R406 PolarHBondContact O-NH2 2.85Å
407	D	90	Very high	95.6	Very high	67 Å²	67	33 Å²	33	36%	0.358	16%	0.164	S	C	.	.			trans	-114.6	7.4	-173.1	61.3	-14.9	0	0	0	113.6	T403 K405	T403-D407 PolarHBondContact OG1-OD1 3.43Å; K405-D407 VanDerWaalsContact C-N 3.28Å; K405-D407 HydrophobicContact CB-CB 4.28Å; K405-D407 PolarHBondContact O-N 3.46Å
408	L	95.9	Very high	95.2	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	17%	0.165	C	C	.	.			trans	-126.1	143.3	-176.4	-70.4	-177.6	0	0	0	112.2	L202 R261 L262 A397 F399 I402 T403	L202-L408 HydrophobicContact CD1-CD1 4.39Å; L202-L408 HydrophobicContact CD1-CD2 3.7Å; L202-L408 HydrophobicContact CD2-CD2 3.71Å; L202-L408 HydrophobicContact CD2-CG 4.41Å; L202-L408 HydrophobicContact CG-CD2 4.37Å; R261-L408 HydrophobicContact CB-CD2 4.05Å; L262-L408 HydrophobicContact CD1-CB 4.01Å; L262-L408 HydrophobicContact CD1-CD1 4.16Å; L262-L408 HydrophobicContact CD2-CD1 4.22Å; L262-L408 HydrophobicContact CD2-CD2 4.37Å; L262-L408 HydrophobicContact CG-CB 4.43Å; L262-L408 HydrophobicContact CG-CD1 4.36Å; L262-L408 HydrophobicContact CG-CD2 4.15Å; A397-L408 VanDerWaalsContact CB-O 3.29Å; A397-L408 WeakPolarHBondContact CB-O 3.39Å; F399-L408 HydrophobicContact CB-CB 3.9Å; F399-L408 WeakPolarHBondContact CD2-O 2.95Å; I402-L408 HydrophobicContact CB-CD1 3.94Å; I402-L408 HydrophobicContact CD1-CD1 4.46Å; I402-L408 HydrophobicContact CG2-CD1 3.78Å; T403-L408 HydrophobicContact CG2-CD1 3.37Å; T403-L408 HydrophobicContact CG2-CG 4.1Å
409	Y	97.1	Very high	94.8	Very high	30 Å²	30	32.6 Å²	32.6	12%	0.118	16%	0.161	C	C	.	.			trans	-144.8	153.9	168.6	62.2	-82.7	0	0	0	108.3	L259 R261 L262 E394 S411	L259-Y409 PolarHBondContact O-OH 3.44Å; R261-Y409 HydrophobicContact CB-CD1 4.4Å; R261-Y409 HydrophobicContact CB-CE1 4.29Å; R261-Y409 HydrophobicContact CG-CD1 4.13Å; R261-Y409 HydrophobicContact CG-CE1 3.65Å; L262-Y409 WeakPolarHBondContact CB-O 3.04Å; L262-Y409 PolarHBondContact N-O 3.39Å; E394-Y409 HydrophobicContact CB-CD1 3.73Å; E394-Y409 HydrophobicContact CB-CE1 3.6Å; E394-Y409 HydrophobicContact CB-CE2 4.49Å; E394-Y409 HydrophobicContact CB-CG 4.22Å; E394-Y409 HydrophobicContact CG-CD1 3.9Å; E394-Y409 HydrophobicContact CG-CE1 3.58Å; Y409-S411 WeakPolarHBondContact CE2-OG 3.47Å; Y409-S411 PolarHBondContact O-N 2.88Å
410	V	97.2	Very high	94.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	109.3	171.1	-178.3	0	0	0	0	107.4	T142 L264 M391 F392 F399 E412 A413	T142-V410 HydrophobicContact CG2-CG2 4.05Å; L264-V410 HydrophobicContact CB-CG1 4.32Å; M391-V410 HydrophobicContact CE-CB 4.2Å; M391-V410 HydrophobicContact CE-CG2 3.71Å; M391-V410 PolarHBondContact O-N 3.27Å; F392-V410 WeakPolarHBondContact CA-O 3.36Å; F392-V410 HydrophobicContact CD1-CB 3.98Å; F392-V410 HydrophobicContact CD1-CG1 3.97Å; F392-V410 VanDerWaalsContact CD1-O 3.27Å; F392-V410 WeakPolarHBondContact CD1-O 3.46Å; F392-V410 HydrophobicContact CE1-CB 4.01Å; F392-V410 HydrophobicContact CE1-CG1 3.61Å; F399-V410 HydrophobicContact CE2-CG2 3.92Å; F399-V410 HydrophobicContact CZ-CG2 3.9Å; V410-E412 VanDerWaalsContact CG1-O 3.32Å; V410-E412 WeakPolarHBondContact CG1-O 3.29Å; V410-A413 HydrophobicContact CG1-CB 4.37Å
411	S	96.5	Very high	93.9	Very high	8 Å²	8	35 Å²	35	6%	0.056	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-46.7	178.5	-54.3	0	0	0	0	109.9	T260 R261 L262 K380 Y409	T260-S411 WeakPolarHBondContact CA-OG 3.45Å; R261-S411 PolarHBondContact N-OG 3.27Å; L262-S411 WeakPolarHBondContact O-CB 3.44Å; L262-S411 PolarHBondContact O-N 2.94Å; K380-S411 WeakPolarHBondContact CD-O 3.3Å; K380-S411 WeakPolarHBondContact CE-O 3.2Å; K380-S411 PolarHBondContact NZ-O 2.79Å; Y409-S411 WeakPolarHBondContact CE2-OG 3.47Å; Y409-S411 PolarHBondContact O-N 2.88Å
412	E	95	Very high	93.7	Very high	44 Å²	44	30.4 Å²	30.4	21%	0.206	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.6	179.8	-68	-56.8	141.9	0	0	111.7	L262 V263 L264 K380 V410 F414	L262-E412 PolarHBondContact O-N 3.35Å; V263-E412 WeakPolarHBondContact CA-O 3.39Å; V263-E412 HydrophobicContact CG1-CB 4.42Å; L264-E412 PolarHBondContact N-O 3.05Å; K380-E412 WeakPolarHBondContact CD-OE2 3.27Å; K380-E412 IonicContact NZ-OE1 3.75Å; K380-E412 PolarHBondContact NZ-OE1 2.85Å; K380-E412 IonicContact NZ-OE2 3.41Å; V410-E412 VanDerWaalsContact CG1-O 3.32Å; V410-E412 WeakPolarHBondContact CG1-O 3.29Å; E412-F414 HydrophobicContact CB-CD2 4.31Å; E412-F414 HydrophobicContact CB-CE2 3.44Å; E412-F414 VanDerWaalsContact CB-CE2 3.44Å; E412-F414 HydrophobicContact CB-CZ 3.86Å; E412-F414 HydrophobicContact CG-CE2 4.24Å; E412-F414 HydrophobicContact CG-CZ 4.23Å
413	A	95.6	Very high	93.4	Very high	3 Å²	3	31 Å²	31	3%	0.025	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	129.3	177.2	0	0	0	0	0	109.5	L264 L379 K380 F392 V410	L264-A413 HydrophobicContact CB-CB 4.02Å; L264-A413 HydrophobicContact CD2-CB 4.47Å; L264-A413 WeakPolarHBondContact O-CA 3.2Å; L379-A413 HydrophobicContact CB-CB 4.38Å; L379-A413 WeakPolarHBondContact CB-O 3.35Å; L379-A413 HydrophobicContact CD2-CB 3.94Å; L379-A413 HydrophobicContact CG-CB 4.09Å; K380-A413 HydrophobicContact CB-CB 4.32Å; K380-A413 PolarHBondContact N-O 3.18Å; F392-A413 HydrophobicContact CE1-CB 4.09Å; F392-A413 HydrophobicContact CZ-CB 4.41Å; V410-A413 HydrophobicContact CG1-CB 4.37Å
414	F	94.1	Very high	92.8	Very high	19 Å²	19	32.2 Å²	32.2	8%	0.083	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.8	-174.6	-60.8	-85.4	0	0	0	111.2	L250 I251 A255 V263 L264 I265 N266 E412	L250-F414 HydrophobicContact CD1-CB 4.25Å; L250-F414 HydrophobicContact CD2-CB 4.31Å; L250-F414 HydrophobicContact CG-CB 4.16Å; I251-F414 HydrophobicContact CB-CD1 4.49Å; I251-F414 HydrophobicContact CB-CD2 4.42Å; I251-F414 HydrophobicContact CB-CE1 4.42Å; I251-F414 HydrophobicContact CB-CE2 4.29Å; I251-F414 HydrophobicContact CB-CZ 4.33Å; I251-F414 HydrophobicContact CG2-CB 3.95Å; I251-F414 HydrophobicContact CG2-CD1 3.76Å; I251-F414 HydrophobicContact CG2-CD2 3.3Å; I251-F414 HydrophobicContact CG2-CE1 4.07Å; I251-F414 HydrophobicContact CG2-CE2 3.6Å; I251-F414 HydrophobicContact CG2-CG 3.38Å; I251-F414 HydrophobicContact CG2-CZ 4.01Å; A255-F414 HydrophobicContact CB-CE1 4.34Å; A255-F414 HydrophobicContact CB-CE2 4.31Å; A255-F414 HydrophobicContact CB-CZ 3.59Å; V263-F414 HydrophobicContact CG1-CD2 4Å; V263-F414 HydrophobicContact CG1-CE2 4.03Å; L264-F414 PolarHBondContact O-N 2.96Å; I265-F414 HydrophobicContact CD1-CB 4.08Å; I265-F414 HydrophobicContact CD1-CD2 3.79Å; I265-F414 HydrophobicContact CD1-CG 4.35Å; N266-F414 PolarHBondContact N-O 2.84Å; E412-F414 HydrophobicContact CB-CD2 4.31Å; E412-F414 HydrophobicContact CB-CE2 3.44Å; E412-F414 VanDerWaalsContact CB-CE2 3.44Å; E412-F414 HydrophobicContact CB-CZ 3.86Å; E412-F414 HydrophobicContact CG-CE2 4.24Å; E412-F414 HydrophobicContact CG-CZ 4.23Å
415	H	93.8	Very high	91.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130	172	172.7	70.2	0	0	0	111.1	S131 I135 N266 L377 L379	S131-H415 PolarHBondContact N-NE2 3Å; I135-H415 HydrophobicContact CD1-CB 4.44Å; I135-H415 HydrophobicContact CG1-CB 4.26Å; N266-H415 VanDerWaalsContact O-CA 3.24Å; N266-H415 WeakPolarHBondContact O-CA 3.32Å; N266-H415 PolarHBondContact OD1-CE1 3.22Å; N266-H415 VanDerWaalsContact OD1-CE1 3.28Å; N266-H415 PolarHBondContact OD1-ND1 3.08Å; L377-H415 HydrophobicContact CB-CB 4.08Å; L377-H415 HydrophobicContact CD2-CB 4.37Å; L377-H415 PolarHBondContact N-O 3.38Å; L379-H415 HydrophobicContact CB-CB 4.14Å; L379-H415 HydrophobicContact CD2-CB 4.05Å; L379-H415 HydrophobicContact CG-CB 4.47Å
416	K	93.2	Very high	88.7	Confident	21 Å²	21	26.7 Å²	26.7	9%	0.091	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132.9	169.5	-167.4	163.8	175.2	-178.1	0	110.8	I247 K248 L250 N266 A267 I268 E374 Y375 E376	I247-K416 HydrophobicContact CG2-CB 4.16Å; I247-K416 HydrophobicContact CG2-CD 3.81Å; I247-K416 HydrophobicContact CG2-CG 4.01Å; K248-K416 PolarHBondContact O-NZ 3.42Å; L250-K416 HydrophobicContact CD1-CB 3.23Å; L250-K416 HydrophobicContact CD1-CD 4.11Å; L250-K416 HydrophobicContact CD1-CG 4.32Å; N266-K416 PolarHBondContact O-N 3.21Å; A267-K416 WeakPolarHBondContact CA-O 3.24Å; I268-K416 PolarHBondContact N-O 3.13Å; I268-K416 VanDerWaalsContact N-O 3.1Å; E374-K416 WeakPolarHBondContact OE1-CE 3.26Å; E374-K416 IonicContact OE1-NZ 3.74Å; E374-K416 PolarHBondContact OE1-NZ 2.83Å; Y375-K416 VanDerWaalsContact O-CA 3.32Å; Y375-K416 WeakPolarHBondContact O-CA 3.46Å; E376-K416 HydrophobicContact CB-CD 4.48Å
417	A	91.5	Very high	85.6	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.7	178.9	0	0	0	0	0	110.3	F129 I268 E374 Y375	F129-A417 HydrophobicContact CD2-CB 4.29Å; F129-A417 HydrophobicContact CE1-CB 4.19Å; F129-A417 WeakPolarHBondContact CE1-O 3.07Å; F129-A417 HydrophobicContact CE2-CB 3.51Å; F129-A417 HydrophobicContact CZ-CB 3.45Å; F129-A417 VanDerWaalsContact CZ-CB 3.45Å; F129-A417 VanDerWaalsContact CZ-O 3.29Å; F129-A417 WeakPolarHBondContact CZ-O 3.5Å; I268-A417 HydrophobicContact CG2-CB 3.88Å; I268-A417 WeakPolarHBondContact O-CA 3.44Å; E374-A417 WeakPolarHBondContact CA-O 3.42Å; Y375-A417 PolarHBondContact N-O 3.14Å; Y375-A417 VanDerWaalsContact N-O 3.09Å; Y375-A417 PolarHBondContact O-N 2.93Å; Y375-A417 VanDerWaalsContact O-N 3.08Å
418	F	89.1	Confident	82.5	Confident	9 Å²	9	27.7 Å²	27.7	4%	0.039	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.4	171.6	-175.4	-76.2	0	0	0	111.4	F129 I247 I268 Y269 F270 K372 E374 E420	F129-F418 VanDerWaalsContact CZ-C 3.45Å; I247-F418 HydrophobicContact CD1-CB 4.45Å; I247-F418 HydrophobicContact CG1-CB 4.28Å; I268-F418 PolarHBondContact O-N 3.03Å; Y269-F418 HydrophobicContact CD2-CB 4.3Å; Y269-F418 AromaticContact CD2-CD1 3.61Å; Y269-F418 HydrophobicContact CD2-CD1 3.61Å; Y269-F418 HydrophobicContact CD2-CE1 4.3Å; Y269-F418 HydrophobicContact CD2-CG 4.23Å; Y269-F418 AromaticContact CE2-CD1 3.89Å; Y269-F418 HydrophobicContact CE2-CD1 3.89Å; Y269-F418 HydrophobicContact CE2-CE1 4.13Å; F270-F418 PolarHBondContact N-O 3.12Å; K372-F418 HydrophobicContact CD-CE2 4Å; K372-F418 HydrophobicContact CD-CZ 3.63Å; K372-F418 HydrophobicContact CG-CE2 4.25Å; K372-F418 HydrophobicContact CG-CZ 3.92Å; E374-F418 HydrophobicContact CB-CD2 4.31Å; E374-F418 HydrophobicContact CG-CD2 4.4Å; F418-E420 HydrophobicContact CE1-CB 4.02Å
419	I	89	Confident	79	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	141.8	172.3	-166.9	171	0	0	0	111	F129 F270 K372 L373 I421 F459 I461	F129-I419 HydrophobicContact CD1-CG2 4.05Å; F129-I419 HydrophobicContact CD2-CB 4.31Å; F129-I419 HydrophobicContact CD2-CG2 3.86Å; F129-I419 HydrophobicContact CE1-CG2 3.78Å; F129-I419 HydrophobicContact CE2-CB 3.64Å; F129-I419 HydrophobicContact CE2-CG2 3.53Å; F129-I419 HydrophobicContact CG-CG2 4.09Å; F129-I419 HydrophobicContact CZ-CB 3.78Å; F129-I419 HydrophobicContact CZ-CG2 3.48Å; F129-I419 VanDerWaalsContact CZ-CG2 3.48Å; F129-I419 VanDerWaalsContact CZ-N 3.35Å; F270-I419 HydrophobicContact CD1-CG1 4.39Å; K372-I419 WeakPolarHBondContact CA-O 3.25Å; L373-I419 HydrophobicContact CB-CG2 3.97Å; L373-I419 PolarHBondContact N-O 3Å; L373-I419 PolarHBondContact O-N 3.1Å; I419-I421 HydrophobicContact CD1-CD1 4.03Å; I419-I421 HydrophobicContact CD1-CG1 4.41Å; I419-I421 HydrophobicContact CG1-CD1 4.13Å; I419-I421 HydrophobicContact CG1-CG1 4.38Å; I419-F459 HydrophobicContact CD1-CE2 4.47Å; I419-I461 HydrophobicContact CD1-CD1 3.6Å
420	E	88	Confident	75.5	Confident	71 Å²	71	35.4 Å²	35.4	33%	0.332	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.3	173.1	-174.1	-174.2	162.3	0	0	109.8	K372 F418 N422	K372-E420 HydrophobicContact CB-CG 4.42Å; F418-E420 HydrophobicContact CE1-CB 4.02Å; E420-N422 PolarHBondContact OE1-ND2 2.71Å
421	I	91.2	Very high	72.1	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	112.9	178.2	-60.9	-56.4	0	0	0	108	W274 M301 M329 K370 F371 I419	W274-I421 HydrophobicContact CH2-CD1 4.34Å; W274-I421 HydrophobicContact CZ2-CD1 4.2Å; W274-I421 HydrophobicContact CZ2-CG2 4.16Å; M301-I421 HydrophobicContact CE-CG2 3.83Å; M329-I421 HydrophobicContact CE-CD1 3.84Å; M329-I421 HydrophobicContact CE-CG1 4.04Å; M329-I421 HydrophobicContact SD-CD1 3.49Å; M329-I421 WeakPolarHBondContact SD-CD1 3.46Å; M329-I421 HydrophobicContact SD-CG1 4.31Å; K370-I421 WeakPolarHBondContact CA-O 3.3Å; K370-I421 WeakPolarHBondContact CG-O 3.48Å; F371-I421 HydrophobicContact CD1-CB 4.27Å; F371-I421 HydrophobicContact CD1-CG2 4.44Å; F371-I421 HydrophobicContact CD2-CB 4.27Å; F371-I421 HydrophobicContact CD2-CG1 4.17Å; F371-I421 HydrophobicContact CE1-CB 4.08Å; F371-I421 HydrophobicContact CE1-CG1 4.14Å; F371-I421 HydrophobicContact CE1-CG2 4.09Å; F371-I421 HydrophobicContact CE2-CB 4.11Å; F371-I421 HydrophobicContact CE2-CG1 3.59Å; F371-I421 HydrophobicContact CG-CB 4.36Å; F371-I421 HydrophobicContact CZ-CB 4.02Å; F371-I421 HydrophobicContact CZ-CG1 3.57Å; F371-I421 HydrophobicContact CZ-CG2 4.37Å; F371-I421 PolarHBondContact N-O 2.81Å; F371-I421 PolarHBondContact O-N 2.94Å; I419-I421 HydrophobicContact CD1-CD1 4.03Å; I419-I421 HydrophobicContact CD1-CG1 4.41Å; I419-I421 HydrophobicContact CG1-CD1 4.13Å; I419-I421 HydrophobicContact CG1-CG1 4.38Å
422	N	92	Very high	68.7	Low	20 Å²	20	44.4 Å²	44.4	11%	0.107	28%	0.281	C	S	.	.			trans	-141.9	-177	179.8	69.4	42.5	0	0	0	111.2	W274 K370 E420 K424 G425	W274-N422 PolarHBondContact NE1-O 3.42Å; K370-N422 HydrophobicContact CD-CB 4.31Å; K370-N422 HydrophobicContact CG-CB 4.24Å; E420-N422 PolarHBondContact OE1-ND2 2.71Å; N422-K424 VanDerWaalsContact C-N 3.35Å; N422-K424 PolarHBondContact O-N 2.89Å; N422-K424 PolarHBondContact OD1-N 3.01Å; N422-G425 PolarHBondContact O-N 3.18Å; N422-G425 VanDerWaalsContact OD1-CA 3.3Å; N422-G425 WeakPolarHBondContact OD1-CA 3.33Å; N422-G425 PolarHBondContact OD1-N 3.49Å
423	E	92.5	Very high	65.4	Low	11 Å²	11	45.8 Å²	45.8	5%	0.051	30%	0.301	C	S	.	.	S	Bend	trans	-62.8	-38.4	-167.6	-69.3	89.8	158.4	0	0	113.9	P277 F278 T283 M301 K370	P277-E423 CarbonylContact C-O 3.51Å; P277-E423 WeakPolarHBondContact CA-O 3.47Å; F278-E423 HydrophobicContact CB-CB 3.97Å; F278-E423 HydrophobicContact CB-CG 4.18Å; F278-E423 WeakPolarHBondContact CB-O 3.28Å; F278-E423 PolarHBondContact N-O 3.39Å; T283-E423 WeakPolarHBondContact CB-OE1 3.15Å; T283-E423 WeakPolarHBondContact CG2-OE1 3.48Å; T283-E423 WeakPolarHBondContact OG1-CG 3.15Å; T283-E423 PolarHBondContact OG1-OE1 2.99Å; M301-E423 HydrophobicContact CG-CG 3.93Å; M301-E423 VanDerWaalsContact SD-CA 3.55Å; M301-E423 HydrophobicContact SD-CB 4.34Å; M301-E423 HydrophobicContact SD-CG 3.89Å; M301-E423 PolarHBondContact SD-N 2.96Å; K370-E423 IonicContact NZ-OE1 3.47Å; K370-E423 IonicContact NZ-OE2 3.58Å; K370-E423 PolarHBondContact NZ-OE2 3.31Å
424	K	83.7	Confident	62.2	Low	36 Å²	36	52.7 Å²	52.7	16%	0.157	34%	0.335	C	S	.	.	S	Bend	trans	-94.1	-36.5	177.1	179.2	134.2	164.8	-58.1	0	113	D273 W274 P277 N422 S426 E427	D273-K424 CarbonylContact C-O 3.53Å; D273-K424 WeakPolarHBondContact CA-O 3.35Å; D273-K424 IonicContact OD1-NZ 2.63Å; D273-K424 IonicContact OD2-NZ 3.45Å; D273-K424 PolarHBondContact OD2-NZ 3.44Å; W274-K424 VanDerWaalsContact CD1-C 3.47Å; W274-K424 PolarHBondContact N-O 3.4Å; P277-K424 HydrophobicContact CB-CB 4.3Å; P277-K424 HydrophobicContact CB-CD 4.33Å; P277-K424 HydrophobicContact CB-CG 4.21Å; N422-K424 VanDerWaalsContact C-N 3.35Å; N422-K424 PolarHBondContact O-N 2.89Å; N422-K424 PolarHBondContact OD1-N 3.01Å; K424-S426 PolarHBondContact NZ-O 3.23Å; K424-E427 VanDerWaalsContact CB-N 3.31Å; K424-E427 WeakPolarHBondContact CE-O 3.4Å; K424-E427 VanDerWaalsContact NZ-N 3.2Å; K424-E427 PolarHBondContact NZ-O 3.31Å
425	G	72.8	Confident	59.1	Low	4 Å²	4	58.2 Å²	58.2	4%	0.041	36%	0.364	C	S	.	.	S	Bend	trans	83.4	-24.2	-143.1	0	0	0	0	0	113.4	K271 A272 N422	K271-G425 WeakPolarHBondContact CE-O 3.49Å; A272-G425 WeakPolarHBondContact O-CA 3.47Å; N422-G425 PolarHBondContact O-N 3.18Å; N422-G425 VanDerWaalsContact OD1-CA 3.3Å; N422-G425 WeakPolarHBondContact OD1-CA 3.33Å; N422-G425 PolarHBondContact OD1-N 3.49Å
426	S	32.3	Very low	56	Low	53 Å²	53	66 Å²	66	37%	0.371	40%	0.403	S	S	.	.	S	Bend	trans	153.7	84.2	165.6	175.4	0	0	0	0	119.9	K271 D273 K424	K271-S426 VanDerWaalsContact NZ-CB 3.33Å; K271-S426 PolarHBondContact NZ-OG 3.23Å; D273-S426 WeakPolarHBondContact OD1-CA 3.49Å; D273-S426 PolarHBondContact OD1-N 3.19Å; K424-S426 PolarHBondContact NZ-O 3.23Å
427	E	27.7	Very low	53.2	Low	176 Å²	176	71.1 Å²	71.1	82%	0.822	43%	0.431	S	S	*	.			trans	53.1	114.5	166.9	-148.9	172.9	-155.4	0	0	128	K424	K424-E427 VanDerWaalsContact CB-N 3.31Å; K424-E427 WeakPolarHBondContact CE-O 3.4Å; K424-E427 VanDerWaalsContact NZ-N 3.2Å; K424-E427 PolarHBondContact NZ-O 3.31Å
428	A	25.3	Very low	50.3	Low	72 Å²	72	80.4 Å²	80.4	60%	0.595	47%	0.472	S	S	*	.			trans	163.1	116	157.9	0	0	0	0	0	109.9
429	A	22.4	Very low	47.8	Very low	103 Å²	103	85.8 Å²	85.8	85%	0.851	50%	0.5	S	S	*	.			trans	-93.1	131.8	-178.9	0	0	0	0	0	111.4
430	A	23.7	Very low	45.4	Very low	91 Å²	91	92.2 Å²	92.2	75%	0.752	54%	0.539	S	S	*	.			trans	-130.2	98.3	153.9	0	0	0	0	0	107.2	T432	A430-T432 PolarHBondContact O-N 3.02Å; A430-T432 VanDerWaalsContact O-N 3.1Å
431	A	24.7	Very low	43	Very low	78 Å²	78	92.9 Å²	92.9	65%	0.645	55%	0.552	S	S	*	*			trans	-78.4	87.9	179.8	0	0	0	0	0	109.8	A433	A431-A433 PolarHBondContact O-N 3.07Å
432	T	26	Very low	40.4	Very low	119 Å²	119	100.5 Å²	100.5	73%	0.73	60%	0.598	S	S	*	*			trans	-80.7	96.9	160.3	-19.4	0	0	0	0	107.1	A430 I434	A430-T432 PolarHBondContact O-N 3.02Å; A430-T432 VanDerWaalsContact O-N 3.1Å; T432-I434 PolarHBondContact O-N 2.71Å; T432-I434 VanDerWaalsContact O-N 3.1Å
433	A	25.6	Very low	38	Very low	74 Å²	74	102 Å²	102	61%	0.612	62%	0.617	S	S	*	*			trans	-64.2	105.9	165.2	0	0	0	0	0	107.2	A431 I435	A431-A433 PolarHBondContact O-N 3.07Å; A433-I435 VanDerWaalsContact C-N 3.28Å; A433-I435 PolarHBondContact O-N 3.36Å
434	I	28	Very low	35.7	Very low	147 Å²	147	108 Å²	108	75%	0.754	65%	0.654	S	S	*	*			trans	-68.7	97.5	167.5	-61.5	176.1	0	0	0	105.7	T432 M436	T432-I434 PolarHBondContact O-N 2.71Å; T432-I434 VanDerWaalsContact O-N 3.1Å; I434-M436 PolarHBondContact O-N 3.43Å
435	I	27.8	Very low	33.8	Very low	135 Å²	135	115.3 Å²	115.3	69%	0.692	68%	0.681	S	S	*	*			trans	-63.6	104.4	164.8	-61.8	173.1	0	0	0	105.1	A433 N437	A433-I435 VanDerWaalsContact C-N 3.28Å; A433-I435 PolarHBondContact O-N 3.36Å; I435-N437 VanDerWaalsContact C-N 3.27Å; I435-N437 PolarHBondContact O-N 3.18Å
436	M	29	Very low	33.3	Very low	163 Å²	163	123 Å²	123	80%	0.803	72%	0.718	S	S	*	*			trans	-63.2	93.9	169.6	-83.6	-169.1	-129.5	0	0	108.1	I434 K438	I434-M436 PolarHBondContact O-N 3.43Å; M436-K438 PolarHBondContact O-N 3.38Å
437	N	34.2	Very low	35.6	Very low	130 Å²	130	125.3 Å²	125.3	70%	0.695	73%	0.734	S	S	*	*			trans	-59.5	119.9	164.8	-76.9	-26	0	0	0	107.7	I435 I439	I435-N437 VanDerWaalsContact C-N 3.27Å; I435-N437 PolarHBondContact O-N 3.18Å; N437-I439 VanDerWaalsContact C-N 3.26Å; N437-I439 PolarHBondContact O-N 3.41Å
438	K	31.6	Very low	38.4	Very low	194 Å²	194	119.5 Å²	119.5	84%	0.843	71%	0.712	S	S	*	*			trans	-61.2	86.5	174.1	-76	178.1	176	176.6	0	109	M436 T440	M436-K438 PolarHBondContact O-N 3.38Å; K438-T440 PolarHBondContact O-N 3.07Å
439	I	37.4	Very low	41.7	Very low	123 Å²	123	118 Å²	118	63%	0.631	70%	0.696	S	S	*	*			trans	-79.3	105.5	163.3	-58	176.5	0	0	0	106.3	N437 S441	N437-I439 VanDerWaalsContact C-N 3.26Å; N437-I439 PolarHBondContact O-N 3.41Å; I439-S441 PolarHBondContact O-N 3.12Å
440	T	37.5	Very low	45.2	Very low	135 Å²	135	118.1 Å²	118.1	83%	0.828	68%	0.677	S	S	*	*			trans	-72.7	91.4	165.1	45.4	0	0	0	0	108.4	K438	K438-T440 PolarHBondContact O-N 3.07Å
441	S	38.7	Very low	48.8	Very low	85 Å²	85	113.8 Å²	113.8	59%	0.594	64%	0.641	S	S	*	*			trans	-148.2	122.7	157.1	49.4	0	0	0	0	107.4	I439 G443	I439-S441 PolarHBondContact O-N 3.12Å; S441-G443 PolarHBondContact O-N 2.91Å
442	V	36.5	Very low	52.3	Low	162 Å²	162	113 Å²	113	98%	0.982	63%	0.625	S	S	*	*			trans	-77.6	61	-171.8	-157.4	0	0	0	0	109.1
443	G	40.7	Very low	55.8	Low	50 Å²	50	107.3 Å²	107.3	52%	0.515	59%	0.591	S	S	.	*	S	Bend	trans	-87	138.7	158.3	0	0	0	0	0	107.2	S441 R445	S441-G443 PolarHBondContact O-N 2.91Å; G443-R445 PolarHBondContact O-N 3.46Å
444	V	43.6	Very low	59.2	Low	137 Å²	137	105.7 Å²	105.7	83%	0.83	57%	0.572	S	S	*	*			trans	-45.2	100.9	174.9	-179.4	0	0	0	0	108.2	M446	V444-M446 HydrophobicContact CG1-CG 4.19Å; V444-M446 PolarHBondContact O-N 3.42Å
445	R	44.9	Very low	62.5	Low	191 Å²	191	99.3 Å²	99.3	72%	0.721	54%	0.539	S	S	*	.			trans	-69.3	84.4	172.4	-86.7	-175.4	176.4	-174.4	-1.5	105.2	G443 S447	G443-R445 PolarHBondContact O-N 3.46Å; R445-S447 PolarHBondContact O-N 3.16Å
446	M	60.9	Low	65.9	Low	166 Å²	166	93 Å²	93	82%	0.818	51%	0.507	S	S	*	.			trans	-56.2	110.4	163.7	-75.9	-171.9	-76.7	0	0	105.3	V444	V444-M446 HydrophobicContact CG1-CG 4.19Å; V444-M446 PolarHBondContact O-N 3.42Å
447	S	80.6	Confident	69.1	Low	101 Å²	101	85.2 Å²	85.2	71%	0.706	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-54.2	137.4	171.6	-40.4	0	0	0	0	106.9	R445	R445-S447 PolarHBondContact O-N 3.16Å
448	P	87.6	Confident	72.2	Confident	53 Å²	53	79 Å²	79	34%	0.344	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-55.4	142.1	177.4	24.7	-33.1	0	0	0	109.1	Q363	Q363-P448 HydrophobicContact CB-CB 4.22Å; Q363-P448 WeakPolarHBondContact O-CB 3.44Å
449	P	94	Very high	75.3	Confident	40 Å²	40	69.8 Å²	69.8	26%	0.26	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-52.4	144	171.1	22.8	-35.4	0	0	0	110.3	Y309 Q363 V364 E365	Y309-P449 HydrophobicContact CD1-CB 4.43Å; Y309-P449 HydrophobicContact CD1-CG 4.07Å; Y309-P449 HydrophobicContact CE1-CB 3.76Å; Y309-P449 HydrophobicContact CE1-CG 3.88Å; Y309-P449 HydrophobicContact CE2-CB 4.28Å; Q363-P449 VanDerWaalsContact O-CD 3.29Å; Q363-P449 WeakPolarHBondContact O-CD 3.27Å; V364-P449 WeakPolarHBondContact CA-O 3.17Å; V364-P449 WeakPolarHBondContact CG1-O 3.4Å; V364-P449 HydrophobicContact CG2-CG 4.16Å; E365-P449 PolarHBondContact N-O 3.04Å
450	K	97.4	Very high	78.1	Confident	106 Å²	106	64 Å²	64	46%	0.461	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.3	176.3	-57.3	-173.5	176	-118.3	0	108.9	Q316 E365 I452	Q316-K450 PolarHBondContact NE2-O 3.41Å; E365-K450 HydrophobicContact CB-CG 4.16Å; E365-K450 HydrophobicContact CG-CG 4.41Å; E365-K450 CarbonylContact O-C 3.59Å; E365-K450 WeakPolarHBondContact O-CA 3.46Å; E365-K450 IonicContact OE1-NZ 2.66Å; E365-K450 PolarHBondContact OE1-NZ 2.82Å; E365-K450 WeakPolarHBondContact OE2-CE 3.24Å; E365-K450 IonicContact OE2-NZ 3.71Å; E365-K450 PolarHBondContact OE2-NZ 3.43Å; K450-I452 HydrophobicContact CB-CD1 4.21Å; K450-I452 HydrophobicContact CB-CG1 4.13Å; K450-I452 HydrophobicContact CD-CD1 4.32Å
451	F	98.4	Very high	80.8	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	100.2	169	-170.8	-82.5	0	0	0	107.8	Y309 Q316 L318 F331 L333 V364 E365 H367 I368 A453	Y309-F451 HydrophobicContact CD2-CD2 4.43Å; Y309-F451 HydrophobicContact CE2-CB 4.4Å; Y309-F451 HydrophobicContact CE2-CD2 4.1Å; Q316-F451 HydrophobicContact CB-CD2 3.76Å; Q316-F451 HydrophobicContact CB-CE2 3.75Å; L318-F451 HydrophobicContact CB-CD1 4.15Å; L318-F451 HydrophobicContact CB-CD2 3.63Å; L318-F451 HydrophobicContact CB-CE1 4.14Å; L318-F451 HydrophobicContact CB-CE2 3.61Å; L318-F451 HydrophobicContact CB-CG 3.9Å; L318-F451 HydrophobicContact CB-CZ 3.88Å; L318-F451 HydrophobicContact CD2-CB 4.32Å; L318-F451 HydrophobicContact CD2-CD1 3.66Å; L318-F451 HydrophobicContact CD2-CD2 4.49Å; L318-F451 HydrophobicContact CD2-CE1 4.06Å; L318-F451 HydrophobicContact CD2-CG 3.9Å; L318-F451 HydrophobicContact CG-CG 4.45Å; F331-F451 HydrophobicContact CB-CE1 3.83Å; F331-F451 HydrophobicContact CB-CZ 3.51Å; F331-F451 HydrophobicContact CG-CE1 4.47Å; L333-F451 HydrophobicContact CB-CE1 4.37Å; L333-F451 HydrophobicContact CB-CE2 3.76Å; L333-F451 HydrophobicContact CB-CZ 3.56Å; L333-F451 HydrophobicContact CD2-CE1 4.41Å; L333-F451 HydrophobicContact CD2-CE2 4.41Å; L333-F451 HydrophobicContact CD2-CZ 4.27Å; V364-F451 HydrophobicContact CG1-CB 3.84Å; E365-F451 PolarHBondContact O-N 3.3Å; H367-F451 PolarHBondContact N-O 3.44Å; I368-F451 HydrophobicContact CD1-CD1 3.74Å; I368-F451 HydrophobicContact CD1-CE1 3.49Å; I368-F451 VanDerWaalsContact CD1-CE1 3.49Å; F451-A453 HydrophobicContact CE1-CB 3.99Å
452	I	98.4	Very high	83.3	Confident	61 Å²	61	54.1 Å²	54.1	31%	0.313	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	97.9	-177	-53.7	177.5	0	0	0	109.4	L333 H367 K450 D454	L333-I452 WeakPolarHBondContact CD2-O 3.27Å; H367-I452 HydrophobicContact CB-CB 4.45Å; H367-I452 HydrophobicContact CB-CG1 4.4Å; H367-I452 HydrophobicContact CB-CG2 4.18Å; K450-I452 HydrophobicContact CB-CD1 4.21Å; K450-I452 HydrophobicContact CB-CG1 4.13Å; K450-I452 HydrophobicContact CD-CD1 4.32Å; I452-D454 HydrophobicContact CG2-CB 3.97Å; I452-D454 PolarHBondContact O-N 3.11Å
453	A	98.2	Very high	85.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.254	C	S	.	.			trans	-81.3	60.2	-179.1	0	0	0	0	0	112.1	F288 L333 H367 I368 F451 F457	F288-A453 WeakPolarHBondContact CE2-O 3.4Å; L333-A453 HydrophobicContact CD1-CB 4.41Å; H367-A453 WeakPolarHBondContact O-CB 3.45Å; H367-A453 PolarHBondContact O-N 2.97Å; I368-A453 HydrophobicContact CD1-CB 3.86Å; F451-A453 HydrophobicContact CE1-CB 3.99Å; A453-F457 HydrophobicContact CB-CD1 3.71Å; A453-F457 HydrophobicContact CB-CE1 3.7Å
454	D	98	Very high	87.6	Confident	41 Å²	41	49.6 Å²	49.6	22%	0.219	25%	0.251	C	S	.	.			trans	-91.2	8.3	-177.8	68.8	-5.1	0	0	0	114.3	F288 Y289 M300 I452	F288-D454 CarbonylContact C-O 3.46Å; F288-D454 VanDerWaalsContact CA-O 3.28Å; F288-D454 WeakPolarHBondContact CA-O 3.49Å; F288-D454 VanDerWaalsContact CD2-C 3.46Å; Y289-D454 HydrophobicContact CD2-CB 4.43Å; Y289-D454 VanDerWaalsContact CD2-O 3.23Å; Y289-D454 WeakPolarHBondContact CD2-O 3.33Å; Y289-D454 HydrophobicContact CE2-CB 4.42Å; Y289-D454 PolarHBondContact N-O 2.76Å; M300-D454 HydrophobicContact CE-CB 4.5Å; I452-D454 HydrophobicContact CG2-CB 3.97Å; I452-D454 PolarHBondContact O-N 3.11Å
455	H	97.8	Very high	89.2	Confident	13 Å²	13	45.1 Å²	45.1	6%	0.06	23%	0.225	C	C	.	.	S	Bend	trans	-153.5	176.7	-179.5	63.8	-91.9	0	0	0	110	F288 L333 P334 K337 F457	F288-H455 WeakPolarHBondContact CE2-O 3.47Å; F288-H455 WeakPolarHBondContact CZ-O 3.36Å; L333-H455 VanDerWaalsContact CD1-CE1 3.49Å; L333-H455 WeakPolarHBondContact CD1-CE1 3.35Å; L333-H455 VanDerWaalsContact CD1-NE2 3.34Å; L333-H455 WeakPolarHBondContact CD1-NE2 3.17Å; P334-H455 PolarHBondContact O-CE1 2.95Å; P334-H455 PolarHBondContact O-NE2 3.24Å; K337-H455 HydrophobicContact CG-CB 3.62Å; K337-H455 WeakPolarHBondContact O-CB 3.37Å; K337-H455 PolarHBondContact O-CD2 2.85Å; H455-F457 VanDerWaalsContact O-CD1 3.3Å; H455-F457 WeakPolarHBondContact O-CD1 3.38Å; H455-F457 PolarHBondContact O-N 2.74Å
456	P	97.8	Very high	90.7	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.013	20%	0.199	C	C	.	.			trans	-63.2	131.8	-165.7	-23.9	36.6	0	0	0	113.5	Y289 V290 P334 K337 L340 Y475 Y476	Y289-P456 VanDerWaalsContact O-CD 3.29Å; Y289-P456 WeakPolarHBondContact O-CD 3.49Å; V290-P456 VanDerWaalsContact O-CG 3.22Å; V290-P456 WeakPolarHBondContact O-CG 3.44Å; P334-P456 WeakPolarHBondContact CD-O 3.45Å; K337-P456 WeakPolarHBondContact O-CD 3.49Å; L340-P456 HydrophobicContact CB-CB 4.03Å; L340-P456 HydrophobicContact CD2-CB 3.48Å; L340-P456 VanDerWaalsContact CD2-CB 3.48Å; L340-P456 HydrophobicContact CG-CB 4.4Å; P456-Y475 WeakPolarHBondContact CA-O 3.44Å; P456-Y476 HydrophobicContact CB-CD1 3.67Å; P456-Y476 HydrophobicContact CB-CD2 4.48Å; P456-Y476 HydrophobicContact CB-CE1 3.68Å; P456-Y476 HydrophobicContact CB-CE2 4.49Å; P456-Y476 HydrophobicContact CB-CG 4.1Å; P456-Y476 HydrophobicContact CG-CD1 3.47Å; P456-Y476 VanDerWaalsContact CG-CD1 3.47Å; P456-Y476 HydrophobicContact CG-CE1 3.72Å; P456-Y476 HydrophobicContact CG-CG 4.2Å
457	F	97.9	Very high	91.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.5	-179.7	58.5	-97.1	0	0	0	112.1	F288 F331 V332 L333 P369 F371 A453 H455 F459 V474 Y475	F288-F457 HydrophobicContact CE2-CD1 4.46Å; F288-F457 HydrophobicContact CE2-CE1 4.13Å; F331-F457 HydrophobicContact CD1-CD2 4.02Å; F331-F457 AromaticContact CD1-CE2 3.7Å; F331-F457 HydrophobicContact CD1-CE2 3.7Å; F331-F457 HydrophobicContact CD1-CZ 4.4Å; F331-F457 HydrophobicContact CE1-CE2 4.07Å; V332-F457 WeakPolarHBondContact O-CB 3.39Å; L333-F457 HydrophobicContact CD1-CB 3.84Å; L333-F457 HydrophobicContact CD1-CD1 4.47Å; P369-F457 HydrophobicContact CG-CE1 3.66Å; P369-F457 HydrophobicContact CG-CZ 3.76Å; F371-F457 HydrophobicContact CE1-CE2 4.37Å; F371-F457 HydrophobicContact CE1-CZ 4.04Å; A453-F457 HydrophobicContact CB-CD1 3.71Å; A453-F457 HydrophobicContact CB-CE1 3.7Å; H455-F457 VanDerWaalsContact O-CD1 3.3Å; H455-F457 WeakPolarHBondContact O-CD1 3.38Å; H455-F457 PolarHBondContact O-N 2.74Å; F457-F459 HydrophobicContact CD2-CB 4.32Å; F457-F459 HydrophobicContact CD2-CD1 4.35Å; F457-F459 HydrophobicContact CE2-CB 4.19Å; F457-F459 AromaticContact CE2-CD1 3.97Å; F457-F459 HydrophobicContact CE2-CD1 3.97Å; F457-V474 WeakPolarHBondContact O-CA 3.49Å; F457-Y475 HydrophobicContact CD1-CD1 4.33Å; F457-Y475 AromaticContact CE1-CD1 3.42Å; F457-Y475 HydrophobicContact CE1-CD1 3.42Å; F457-Y475 VanDerWaalsContact CE1-CD1 3.42Å; F457-Y475 HydrophobicContact CE1-CE1 4.27Å; F457-Y475 HydrophobicContact CE1-CG 4.07Å; F457-Y475 HydrophobicContact CE2-CG 4.39Å; F457-Y475 AromaticContact CZ-CD1 3.53Å; F457-Y475 HydrophobicContact CZ-CD1 3.53Å; F457-Y475 HydrophobicContact CZ-CE1 4.42Å; F457-Y475 AromaticContact CZ-CG 3.76Å; F457-Y475 HydrophobicContact CZ-CG 3.76Å; F457-Y475 PolarHBondContact N-O 2.99Å; F457-Y475 PolarHBondContact O-N 2.92Å
458	L	97.6	Very high	91.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	141.3	165.6	172.5	72.1	0	0	0	109	F331 V332 L340 M343 M344 L347 L352 I472 G473 V474	F331-L458 WeakPolarHBondContact CA-O 3.05Å; V332-L458 HydrophobicContact CB-CB 4.23Å; V332-L458 HydrophobicContact CB-CD2 4.31Å; V332-L458 HydrophobicContact CG2-CD2 4.2Å; V332-L458 PolarHBondContact N-O 3.41Å; V332-L458 PolarHBondContact O-N 2.81Å; L340-L458 HydrophobicContact CD1-CB 4.27Å; M343-L458 HydrophobicContact CE-CB 3.41Å; M343-L458 VanDerWaalsContact CE-CB 3.41Å; M343-L458 HydrophobicContact CE-CD2 4.05Å; M343-L458 HydrophobicContact CE-CG 4.36Å; M344-L458 HydrophobicContact CE-CD1 4.04Å; M344-L458 HydrophobicContact SD-CB 4.33Å; M344-L458 HydrophobicContact SD-CD1 4.09Å; M344-L458 HydrophobicContact SD-CD2 4.26Å; M344-L458 HydrophobicContact SD-CG 4.46Å; L347-L458 HydrophobicContact CD1-CD2 3.84Å; L352-L458 HydrophobicContact CD1-CD2 3.83Å; L458-I472 HydrophobicContact CD1-CD1 4Å; L458-I472 HydrophobicContact CD1-CG1 3.58Å; L458-G473 WeakPolarHBondContact CA-O 3.41Å; L458-G473 WeakPolarHBondContact CD1-O 3.29Å; L458-V474 HydrophobicContact CD1-CG1 4.27Å
459	F	96.7	Very high	92.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.5	166.2	64.7	-91.6	0	0	0	110.9	F129 M329 Y330 F331 F371 L373 I419 F457 I472 G473	F129-F459 HydrophobicContact CB-CE2 3.96Å; F129-F459 HydrophobicContact CB-CZ 3.7Å; F129-F459 HydrophobicContact CG-CZ 4.38Å; M329-F459 HydrophobicContact CE-CB 3.64Å; M329-F459 HydrophobicContact CE-CD2 3.63Å; M329-F459 HydrophobicContact CE-CG 3.82Å; Y330-F459 CarbonylContact O-C 3.47Å; Y330-F459 WeakPolarHBondContact O-CA 3.48Å; F331-F459 HydrophobicContact CD1-CB 4.16Å; F331-F459 HydrophobicContact CE1-CB 4.39Å; F371-F459 HydrophobicContact CE2-CE1 4.19Å; F371-F459 HydrophobicContact CE2-CZ 4.13Å; F371-F459 HydrophobicContact CZ-CD1 4.21Å; F371-F459 HydrophobicContact CZ-CE1 4.2Å; F371-F459 HydrophobicContact CZ-CG 4.46Å; F371-F459 HydrophobicContact CZ-CZ 4.45Å; L373-F459 HydrophobicContact CD1-CE1 4Å; L373-F459 HydrophobicContact CD1-CZ 3.68Å; I419-F459 HydrophobicContact CD1-CE2 4.47Å; F457-F459 HydrophobicContact CD2-CB 4.32Å; F457-F459 HydrophobicContact CD2-CD1 4.35Å; F457-F459 HydrophobicContact CE2-CB 4.19Å; F457-F459 AromaticContact CE2-CD1 3.97Å; F457-F459 HydrophobicContact CE2-CD1 3.97Å; F459-I472 WeakPolarHBondContact O-CA 3.01Å; F459-G473 WeakPolarHBondContact CD1-O 3.46Å; F459-G473 PolarHBondContact N-O 2.72Å; F459-G473 PolarHBondContact O-N 3.16Å
460	A	96.4	Very high	91.9	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.008	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	146.9	176.7	0	0	0	0	0	111.1	M329 Y330 F356 V469 F471 I472	M329-A460 CarbonylContact C-O 3.58Å; M329-A460 WeakPolarHBondContact CA-O 3.19Å; Y330-A460 PolarHBondContact N-O 2.81Å; Y330-A460 PolarHBondContact O-N 2.82Å; F356-A460 HydrophobicContact CE2-CB 4.17Å; F356-A460 HydrophobicContact CZ-CB 3.67Å; A460-V469 HydrophobicContact CB-CG1 4.37Å; A460-F471 CarbonylContact C-O 3.54Å; A460-F471 WeakPolarHBondContact CA-O 3.12Å; A460-F471 WeakPolarHBondContact CB-O 3.33Å; A460-I472 HydrophobicContact CB-CG1 4.38Å
461	I	93.6	Very high	91.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.3	168.5	-61.8	167.2	0	0	0	107.4	F270 Y322 L327 M329 I419 L470 F471	F270-I461 HydrophobicContact CD1-CD1 3.66Å; F270-I461 HydrophobicContact CE1-CD1 3.38Å; F270-I461 HydrophobicContact CG-CD1 4.38Å; F270-I461 HydrophobicContact CZ-CD1 3.85Å; F270-I461 HydrophobicContact CZ-CG2 4.37Å; Y322-I461 HydrophobicContact CE2-CD1 4.4Å; Y322-I461 HydrophobicContact CE2-CG1 4.26Å; Y322-I461 HydrophobicContact CE2-CG2 4.27Å; L327-I461 HydrophobicContact CB-CG2 4.44Å; M329-I461 HydrophobicContact CB-CG1 4.33Å; M329-I461 HydrophobicContact CG-CG1 4.17Å; M329-I461 HydrophobicContact SD-CG1 4.31Å; I419-I461 HydrophobicContact CD1-CD1 3.6Å; I461-L470 HydrophobicContact CG2-CD1 4.3Å; I461-L470 WeakPolarHBondContact O-CB 3.26Å; I461-L470 PolarHBondContact O-N 3.42Å; I461-F471 HydrophobicContact CB-CB 4.21Å; I461-F471 HydrophobicContact CB-CD2 4.06Å; I461-F471 HydrophobicContact CD1-CB 4.29Å; I461-F471 HydrophobicContact CD1-CD2 3.8Å; I461-F471 HydrophobicContact CD1-CG 4.29Å; I461-F471 HydrophobicContact CG1-CB 4.42Å; I461-F471 HydrophobicContact CG1-CD2 4.45Å; I461-F471 PolarHBondContact N-O 3.16Å; I461-F471 PolarHBondContact O-N 3.26Å
462	M	91.3	Very high	91.6	Very high	12 Å²	12	15.7 Å²	15.7	6%	0.059	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.1	-178.7	-171	175.1	-174.2	0	0	110.4	L327 L328 Y330 L353 F356 R464 I468	L327-M462 WeakPolarHBondContact CA-O 3.33Å; L328-M462 PolarHBondContact N-O 3.19Å; L328-M462 VanDerWaalsContact N-O 3.11Å; L328-M462 PolarHBondContact O-N 2.84Å; Y330-M462 HydrophobicContact CD2-CB 4.12Å; Y330-M462 HydrophobicContact CE2-CB 3.98Å; Y330-M462 HydrophobicContact CE2-SD 3.88Å; L353-M462 HydrophobicContact CD2-CE 3.74Å; F356-M462 HydrophobicContact CB-SD 4.41Å; F356-M462 HydrophobicContact CD2-SD 3.68Å; F356-M462 HydrophobicContact CE2-SD 4.44Å; F356-M462 HydrophobicContact CG-SD 4.47Å; M462-R464 PolarHBondContact O-N 3.08Å; M462-I468 CarbonylContact C-O 3.54Å; M462-I468 WeakPolarHBondContact CA-O 3.41Å
463	D	86.6	Confident	91.4	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.011	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	105	159.8	171.2	25.9	0	0	0	108.9	S178 L179 L327 S465 N466 G467 I468 L470	S178-D463 PolarHBondContact OG-OD2 2.84Å; L179-D463 HydrophobicContact CD2-CB 4.43Å; L327-D463 HydrophobicContact CD2-CB 3.83Å; D463-S465 VanDerWaalsContact CG-OG 3.23Å; D463-S465 PolarHBondContact O-N 3.43Å; D463-S465 WeakPolarHBondContact OD1-CB 3.37Å; D463-S465 PolarHBondContact OD1-N 3.43Å; D463-S465 PolarHBondContact OD1-OG 3.37Å; D463-S465 PolarHBondContact OD2-OG 3.22Å; D463-S465 VanDerWaalsContact OD2-OG 3.06Å; D463-N466 PolarHBondContact O-N 3.3Å; D463-N466 WeakPolarHBondContact OD2-CB 3.41Å; D463-N466 PolarHBondContact OD2-N 2.83Å; D463-N466 PolarHBondContact OD2-ND2 3.21Å; D463-G467 WeakPolarHBondContact O-CA 3.17Å; D463-G467 PolarHBondContact O-N 3Å; D463-I468 HydrophobicContact CB-CB 4.41Å; D463-I468 PolarHBondContact N-O 3.06Å; D463-I468 PolarHBondContact O-N 3.43Å; D463-I468 VanDerWaalsContact O-N 3.11Å; D463-L470 HydrophobicContact CB-CD1 4.18Å; D463-L470 HydrophobicContact CB-CD2 4.45Å; D463-L470 HydrophobicContact CB-CG 4.22Å
464	R	82.5	Confident	91.3	Very high	116 Å²	116	12.8 Å²	12.8	44%	0.438	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-20	179.9	-60.6	-161.4	-56.5	-165.6	-0.5	112.7	E325 K326 L328 M462 N466	E325-R464 PolarHBondContact O-NH2 2.54Å; K326-R464 PolarHBondContact O-N 3.01Å; L328-R464 HydrophobicContact CB-CG 4.37Å; M462-R464 PolarHBondContact O-N 3.08Å; R464-N466 VanDerWaalsContact C-N 3.33Å
465	S	76.4	Confident	91.1	Very high	42 Å²	42	11.1 Å²	11.1	29%	0.294	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-34.5	-179.4	71.7	0	0	0	0	111.5	K103 D463	K103-S465 WeakPolarHBondContact CE-O 3.49Å; K103-S465 PolarHBondContact NZ-O 2.9Å; D463-S465 VanDerWaalsContact CG-OG 3.23Å; D463-S465 PolarHBondContact O-N 3.43Å; D463-S465 WeakPolarHBondContact OD1-CB 3.37Å; D463-S465 PolarHBondContact OD1-N 3.43Å; D463-S465 PolarHBondContact OD1-OG 3.37Å; D463-S465 PolarHBondContact OD2-OG 3.22Å; D463-S465 VanDerWaalsContact OD2-OG 3.06Å
466	N	76.2	Confident	91	Very high	31 Å²	31	11.4 Å²	11.4	17%	0.166	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	4.6	178.6	-59.4	-74.2	0	0	0	114.8	S178 D463 R464 I468	S178-N466 WeakPolarHBondContact CB-ND2 3.24Å; S178-N466 PolarHBondContact OG-ND2 3.18Å; D463-N466 PolarHBondContact O-N 3.3Å; D463-N466 WeakPolarHBondContact OD2-CB 3.41Å; D463-N466 PolarHBondContact OD2-N 2.83Å; D463-N466 PolarHBondContact OD2-ND2 3.21Å; R464-N466 VanDerWaalsContact C-N 3.33Å; N466-I468 VanDerWaalsContact C-N 3.26Å; N466-I468 HydrophobicContact CB-CD1 3.6Å; N466-I468 HydrophobicContact CB-CG1 3.82Å; N466-I468 WeakPolarHBondContact O-CG1 3.47Å; N466-I468 PolarHBondContact O-N 3.34Å
467	G	80.9	Confident	90.6	Very high	3 Å²	3	11.6 Å²	11.6	3%	0.031	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	26.1	-179.6	0	0	0	0	0	114.6	D107 D463	D107-G467 VanDerWaalsContact OD1-CA 3.31Å; D107-G467 WeakPolarHBondContact OD1-CA 3.48Å; D463-G467 WeakPolarHBondContact O-CA 3.17Å; D463-G467 PolarHBondContact O-N 3Å
468	I	86.4	Confident	89.4	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.2	-171.8	-64.9	173.3	0	0	0	110.5	L106 F133 A175 M462 D463 N466 L470	L106-I468 HydrophobicContact CD2-CD1 4.2Å; L106-I468 HydrophobicContact CD2-CG1 4.4Å; F133-I468 HydrophobicContact CB-CG2 3.63Å; F133-I468 HydrophobicContact CD1-CG2 4.43Å; F133-I468 HydrophobicContact CD2-CD1 4.05Å; F133-I468 HydrophobicContact CD2-CG2 3.38Å; F133-I468 HydrophobicContact CE2-CD1 3.77Å; F133-I468 HydrophobicContact CE2-CG2 4.17Å; F133-I468 HydrophobicContact CG-CG2 3.52Å; F133-I468 HydrophobicContact CZ-CD1 4.4Å; A175-I468 HydrophobicContact CB-CD1 3.41Å; A175-I468 VanDerWaalsContact CB-CD1 3.41Å; M462-I468 CarbonylContact C-O 3.54Å; M462-I468 WeakPolarHBondContact CA-O 3.41Å; D463-I468 HydrophobicContact CB-CB 4.41Å; D463-I468 PolarHBondContact N-O 3.06Å; D463-I468 PolarHBondContact O-N 3.43Å; D463-I468 VanDerWaalsContact O-N 3.11Å; N466-I468 VanDerWaalsContact C-N 3.26Å; N466-I468 HydrophobicContact CB-CD1 3.6Å; N466-I468 HydrophobicContact CB-CG1 3.82Å; N466-I468 WeakPolarHBondContact O-CG1 3.47Å; N466-I468 PolarHBondContact O-N 3.34Å; I468-L470 HydrophobicContact CG2-CD2 3.85Å; I468-L470 PolarHBondContact O-N 2.82Å
469	V	91.2	Very high	87.7	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	97.8	168.1	-176	0	0	0	0	109.1	A111 A114 L352 A460 F471 I472	A111-V469 HydrophobicContact CB-CG2 4.31Å; A114-V469 HydrophobicContact CB-CB 4.21Å; A114-V469 HydrophobicContact CB-CG1 4.18Å; L352-V469 HydrophobicContact CD2-CG2 4.46Å; A460-V469 HydrophobicContact CB-CG1 4.37Å; V469-F471 WeakPolarHBondContact CG1-O 3.29Å; V469-I472 HydrophobicContact CG1-CB 4Å
470	L	90.4	Very high	85.4	Confident	4 Å²	4	19.7 Å²	19.7	2%	0.021	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-44.1	-179.3	-63.6	-179.9	0	0	0	112	S131 F133 L179 L327 I461 D463 I468	S131-L470 WeakPolarHBondContact CA-O 3.48Å; S131-L470 VanDerWaalsContact CB-O 3.31Å; S131-L470 WeakPolarHBondContact CB-O 3.32Å; S131-L470 PolarHBondContact OG-O 3.43Å; F133-L470 HydrophobicContact CB-CD2 4.21Å; F133-L470 HydrophobicContact CD1-CD2 3.95Å; F133-L470 HydrophobicContact CG-CD2 4.17Å; L179-L470 HydrophobicContact CD1-CD2 3.42Å; L179-L470 VanDerWaalsContact CD1-CD2 3.42Å; L179-L470 HydrophobicContact CD2-CD1 3.55Å; L179-L470 HydrophobicContact CD2-CD2 3.53Å; L179-L470 HydrophobicContact CD2-CG 4.16Å; L179-L470 HydrophobicContact CG-CD2 4.1Å; L327-L470 HydrophobicContact CD1-CD1 4.34Å; L327-L470 HydrophobicContact CD2-CD1 3.6Å; I461-L470 HydrophobicContact CG2-CD1 4.3Å; I461-L470 WeakPolarHBondContact O-CB 3.26Å; I461-L470 PolarHBondContact O-N 3.42Å; D463-L470 HydrophobicContact CB-CD1 4.18Å; D463-L470 HydrophobicContact CB-CD2 4.45Å; D463-L470 HydrophobicContact CB-CG 4.22Å; I468-L470 HydrophobicContact CG2-CD2 3.85Å; I468-L470 PolarHBondContact O-N 2.82Å
471	F	93	Very high	82.5	Confident	1 Å²	1	27.8 Å²	27.8	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.8	178.7	-63.3	-88.2	0	0	0	109.3	F129 I130 I268 F270 A460 I461 V469	F129-F471 AromaticContact CD2-CD1 3.9Å; F129-F471 HydrophobicContact CD2-CD1 3.9Å; F129-F471 AromaticContact CE2-CD1 3.76Å; F129-F471 HydrophobicContact CE2-CD1 3.76Å; F129-F471 HydrophobicContact CE2-CE1 4.07Å; I130-F471 WeakPolarHBondContact O-CA 3.13Å; I268-F471 HydrophobicContact CD1-CE1 3.88Å; I268-F471 HydrophobicContact CD1-CE2 4.08Å; I268-F471 HydrophobicContact CD1-CZ 3.34Å; I268-F471 HydrophobicContact CG1-CE1 4.13Å; I268-F471 HydrophobicContact CG1-CZ 3.68Å; I268-F471 HydrophobicContact CG2-CE1 3.96Å; I268-F471 HydrophobicContact CG2-CZ 4.39Å; F270-F471 HydrophobicContact CB-CE1 4.38Å; F270-F471 HydrophobicContact CB-CE2 3.53Å; F270-F471 HydrophobicContact CB-CZ 3.41Å; F270-F471 VanDerWaalsContact CB-CZ 3.41Å; F270-F471 HydrophobicContact CD1-CE2 4.5Å; F270-F471 AromaticContact CD2-CE2 3.97Å; F270-F471 HydrophobicContact CD2-CE2 3.97Å; F270-F471 AromaticContact CG-CE2 3.76Å; F270-F471 HydrophobicContact CG-CE2 3.76Å; F270-F471 HydrophobicContact CG-CZ 4.17Å; A460-F471 CarbonylContact C-O 3.54Å; A460-F471 WeakPolarHBondContact CA-O 3.12Å; A460-F471 WeakPolarHBondContact CB-O 3.33Å; I461-F471 HydrophobicContact CB-CB 4.21Å; I461-F471 HydrophobicContact CB-CD2 4.06Å; I461-F471 HydrophobicContact CD1-CB 4.29Å; I461-F471 HydrophobicContact CD1-CD2 3.8Å; I461-F471 HydrophobicContact CD1-CG 4.29Å; I461-F471 HydrophobicContact CG1-CB 4.42Å; I461-F471 HydrophobicContact CG1-CD2 4.45Å; I461-F471 PolarHBondContact N-O 3.16Å; I461-F471 PolarHBondContact O-N 3.26Å; V469-F471 WeakPolarHBondContact CG1-O 3.29Å
472	I	95.2	Very high	82	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	140	171.2	-166.1	168.5	0	0	0	108.8	A114 L115 F129 I130 P132 L352 L458 F459 A460 V469	A114-I472 HydrophobicContact CB-CG2 4.4Å; L115-I472 HydrophobicContact CD2-CD1 3.98Å; F129-I472 VanDerWaalsContact CA-O 3.3Å; F129-I472 WeakPolarHBondContact CA-O 3.46Å; F129-I472 WeakPolarHBondContact CB-O 3.3Å; I130-I472 HydrophobicContact CD1-CG2 4.3Å; I130-I472 HydrophobicContact CG1-CG2 3.89Å; I130-I472 PolarHBondContact N-O 3.3Å; I130-I472 PolarHBondContact O-N 3.32Å; I130-I472 VanDerWaalsContact O-N 3.13Å; P132-I472 HydrophobicContact CG-CG2 3.59Å; L352-I472 HydrophobicContact CD2-CD1 4.12Å; L458-I472 HydrophobicContact CD1-CD1 4Å; L458-I472 HydrophobicContact CD1-CG1 3.58Å; F459-I472 WeakPolarHBondContact O-CA 3.01Å; A460-I472 HydrophobicContact CB-CG1 4.38Å; V469-I472 HydrophobicContact CG1-CB 4Å
473	G	94.7	Very high	81.5	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	173.9	-179.5	0	0	0	0	0	112.6	F128 L458 F459	F128-G473 CarbonylContact O-C 3.48Å; F128-G473 WeakPolarHBondContact O-CA 3.27Å; L458-G473 WeakPolarHBondContact CA-O 3.41Å; L458-G473 WeakPolarHBondContact CD1-O 3.29Å; F459-G473 WeakPolarHBondContact CD1-O 3.46Å; F459-G473 PolarHBondContact N-O 2.72Å; F459-G473 PolarHBondContact O-N 3.16Å
474	V	95.6	Very high	81.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.5	174.8	-72.3	0	0	0	0	109.3	Y118 S127 F128 L340 M344 F457 L458 Y476	Y118-V474 HydrophobicContact CE2-CB 4.49Å; Y118-V474 HydrophobicContact CE2-CG1 3.72Å; Y118-V474 HydrophobicContact CE2-CG2 4.09Å; Y118-V474 WeakPolarHBondContact OH-CG1 3.44Å; S127-V474 WeakPolarHBondContact CA-O 3.37Å; F128-V474 HydrophobicContact CD1-CG2 3.54Å; F128-V474 HydrophobicContact CE1-CG2 3.4Å; F128-V474 VanDerWaalsContact CE1-CG2 3.4Å; F128-V474 HydrophobicContact CZ-CG2 4.36Å; F128-V474 PolarHBondContact N-O 2.87Å; F128-V474 VanDerWaalsContact N-O 3.15Å; F128-V474 PolarHBondContact O-N 3.24Å; L340-V474 HydrophobicContact CD1-CG1 4.18Å; L340-V474 HydrophobicContact CD2-CB 3.87Å; L340-V474 HydrophobicContact CD2-CG1 3.76Å; L340-V474 HydrophobicContact CG-CG1 4.31Å; M344-V474 HydrophobicContact SD-CG1 4.49Å; F457-V474 WeakPolarHBondContact O-CA 3.49Å; L458-V474 HydrophobicContact CD1-CG1 4.27Å; V474-Y476 HydrophobicContact CB-CD2 4.36Å; V474-Y476 HydrophobicContact CB-CE2 4.05Å; V474-Y476 HydrophobicContact CG2-CD2 4.1Å; V474-Y476 HydrophobicContact CG2-CE2 3.8Å
475	Y	95.5	Very high	81.1	Confident	5 Å²	5	26.7 Å²	26.7	2%	0.02	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116.5	176.7	-176	-106.7	0	0	0	109.2	F288 P369 F371 P456 F457	F288-Y475 HydrophobicContact CD2-CE1 4.05Å; F288-Y475 HydrophobicContact CE1-CD1 4.42Å; F288-Y475 HydrophobicContact CE1-CE1 4.42Å; F288-Y475 AromaticContact CE2-CD1 3.64Å; F288-Y475 HydrophobicContact CE2-CD1 3.64Å; F288-Y475 AromaticContact CE2-CE1 3.61Å; F288-Y475 HydrophobicContact CE2-CE1 3.61Å; F288-Y475 AromaticContact CZ-CD1 3.57Å; F288-Y475 HydrophobicContact CZ-CD1 3.57Å; F288-Y475 AromaticContact CZ-CE1 3.81Å; F288-Y475 HydrophobicContact CZ-CE1 3.81Å; P369-Y475 HydrophobicContact CB-CE1 3.71Å; P369-Y475 HydrophobicContact CG-CD1 3.79Å; P369-Y475 HydrophobicContact CG-CE1 3.32Å; F371-Y475 HydrophobicContact CB-CD2 4.08Å; F371-Y475 HydrophobicContact CB-CE2 3.34Å; F371-Y475 AromaticContact CD1-CD2 3.93Å; F371-Y475 HydrophobicContact CD1-CD2 3.93Å; F371-Y475 AromaticContact CD1-CE2 3.81Å; F371-Y475 HydrophobicContact CD1-CE2 3.81Å; F371-Y475 HydrophobicContact CD1-CG 4.34Å; F371-Y475 HydrophobicContact CD2-CD2 4.2Å; F371-Y475 HydrophobicContact CD2-CE2 4.31Å; F371-Y475 HydrophobicContact CE1-CD2 4.4Å; F371-Y475 AromaticContact CG-CD2 3.82Å; F371-Y475 HydrophobicContact CG-CD2 3.82Å; F371-Y475 AromaticContact CG-CE2 3.58Å; F371-Y475 HydrophobicContact CG-CE2 3.58Å; P456-Y475 WeakPolarHBondContact CA-O 3.44Å; F457-Y475 HydrophobicContact CD1-CD1 4.33Å; F457-Y475 AromaticContact CE1-CD1 3.42Å; F457-Y475 HydrophobicContact CE1-CD1 3.42Å; F457-Y475 VanDerWaalsContact CE1-CD1 3.42Å; F457-Y475 HydrophobicContact CE1-CE1 4.27Å; F457-Y475 HydrophobicContact CE1-CG 4.07Å; F457-Y475 HydrophobicContact CE2-CG 4.39Å; F457-Y475 AromaticContact CZ-CD1 3.53Å; F457-Y475 HydrophobicContact CZ-CD1 3.53Å; F457-Y475 HydrophobicContact CZ-CE1 4.42Å; F457-Y475 AromaticContact CZ-CG 3.76Å; F457-Y475 HydrophobicContact CZ-CG 3.76Å; F457-Y475 PolarHBondContact N-O 2.99Å; F457-Y475 PolarHBondContact O-N 2.92Å
476	Y	94.5	Very high	81.4	Confident	19 Å²	19	25.8 Å²	25.8	8%	0.075	17%	0.173	C	C	.	.			trans	-105.4	18.9	170.2	-75.7	-97.3	0	0	0	110.3	D125 N126 S127 F288 V290 K296 L340 P456 V474 S478	D125-Y476 HydrophobicContact CB-CD1 4.26Å; D125-Y476 HydrophobicContact CB-CE1 4.32Å; N126-Y476 WeakPolarHBondContact O-CD2 3.25Å; S127-Y476 PolarHBondContact OG-N 3.06Å; F288-Y476 VanDerWaalsContact CE1-C 3.4Å; V290-Y476 WeakPolarHBondContact CG1-O 3.43Å; V290-Y476 WeakPolarHBondContact CG2-O 3.34Å; K296-Y476 PolarHBondContact NZ-O 3.49Å; L340-Y476 HydrophobicContact CD2-CD2 4.4Å; L340-Y476 HydrophobicContact CD2-CE1 4.41Å; L340-Y476 HydrophobicContact CD2-CE2 3.63Å; P456-Y476 HydrophobicContact CB-CD1 3.67Å; P456-Y476 HydrophobicContact CB-CD2 4.48Å; P456-Y476 HydrophobicContact CB-CE1 3.68Å; P456-Y476 HydrophobicContact CB-CE2 4.49Å; P456-Y476 HydrophobicContact CB-CG 4.1Å; P456-Y476 HydrophobicContact CG-CD1 3.47Å; P456-Y476 VanDerWaalsContact CG-CD1 3.47Å; P456-Y476 HydrophobicContact CG-CE1 3.72Å; P456-Y476 HydrophobicContact CG-CG 4.2Å; V474-Y476 HydrophobicContact CB-CD2 4.36Å; V474-Y476 HydrophobicContact CB-CE2 4.05Å; V474-Y476 HydrophobicContact CG2-CD2 4.1Å; V474-Y476 HydrophobicContact CG2-CE2 3.8Å; Y476-S478 PolarHBondContact O-N 3.4Å; Y476-S478 VanDerWaalsContact O-N 3.11Å
477	G	89.9	Confident	81.8	Confident	7 Å²	7	25.4 Å²	25.4	7%	0.072	17%	0.173	C	C	.	.	S	Bend	trans	79.7	-20.8	-176.8	0	0	0	0	0	115.2	S127 K296	S127-G477 PolarHBondContact OG-N 3.44Å; K296-G477 WeakPolarHBondContact CE-O 3.31Å; K296-G477 PolarHBondContact NZ-O 3.07Å
478	S	73.1	Confident	81.8	Confident	26 Å²	26	27 Å²	27	18%	0.182	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-75	141.2	-178.3	45.1	0	0	0	0	108.7	N126 S127 Y476	N126-S478 PolarHBondContact OD1-OG 3.47Å; S127-S478 WeakPolarHBondContact CB-O 3.36Å; S127-S478 PolarHBondContact N-OG 3.23Å; S127-S478 PolarHBondContact OG-N 2.97Å; S127-S478 PolarHBondContact OG-O 3.31Å; Y476-S478 PolarHBondContact O-N 3.4Å; Y476-S478 VanDerWaalsContact O-N 3.11Å
479	I	60.4	Low	81.5	Confident	123 Å²	123	29.1 Å²	29.1	63%	0.631	20%	0.198	S	C	*	.	P	Polyproline II helix	trans	-83.5	120.1	165.6	-60.7	169.1	0	0	0	103.7	A481	I479-A481 PolarHBondContact O-N 3.03Å
480	S	49.6	Very low	80.7	Confident	21 Å²	21	31.4 Å²	31.4	15%	0.147	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-56.2	128.8	172.2	45.5	0	0	0	0	108.6	E374	E374-S480 PolarHBondContact N-OG 3.43Å; E374-S480 WeakPolarHBondContact O-CB 3.24Å; E374-S480 PolarHBondContact O-OG 2.84Å
481	A	36	Very low	79.8	Confident	171 Å²	171	33.9 Å²	33.9	100%	1.413	23%	0.231	S	C	*	.			trans	-67.2	0	-178.1	0	0	0	0	0	112	I479	I479-A481 PolarHBondContact O-N 3.03Å

Retrieved 481 of 481 residues in 310.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).