A0A3Q0KEX6_SCHMA Loading...

ATP-diphosphohydrolase 1

AlphaFold DB (Q7YTA4), UniProt , Accession A0A3Q0KEX6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 544 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	26.1	Very low	32.5	Very low	226 Å²	226	162.7 Å²	162.7	100%	1.113	84%	0.84	S	S	*	*				0	87.4	0	-79.9	171.2	174.6	0	0	106.4
2	V	27.5	Very low	32.9	Very low	112 Å²	112	165.8 Å²	165.8	68%	0.679	84%	0.843	S	S	*	*			cis	77.8	136.4	47.4	-160.9	0	0	0	0	110.8
3	F	28.5	Very low	32.7	Very low	183 Å²	183	162.4 Å²	162.4	80%	0.803	83%	0.828	S	S	*	*			trans	94.7	82.8	165.1	-59.8	-70.4	0	0	0	117.2
4	G	30.5	Very low	32.7	Very low	81 Å²	81	162.5 Å²	162.5	84%	0.835	82%	0.82	S	S	*	*			trans	-123.1	86.8	141.7	0	0	0	0	0	109.4
5	K	35.1	Very low	32.8	Very low	190 Å²	190	158.6 Å²	158.6	83%	0.826	81%	0.808	S	S	*	*			trans	-46.7	139.4	165.6	-79.7	173.8	170	175.9	0	110.3
6	R	36.2	Very low	32.9	Very low	245 Å²	245	162.5 Å²	162.5	93%	0.925	82%	0.818	S	S	*	*			trans	-159.6	141.1	132.4	-107.5	172.1	-158.1	-158.5	5.7	112
7	N	33.8	Very low	32.9	Very low	145 Å²	145	160.9 Å²	160.9	78%	0.775	81%	0.811	S	S	*	*			trans	-43.6	144.5	171	-65.8	-25	0	0	0	113.1
8	L	34.1	Very low	33.1	Very low	160 Å²	160	159.4 Å²	159.4	84%	0.838	81%	0.811	S	S	*	*				-167.6	115.1	102.5	-123.3	84.8	0	0	0	108.6	Q10	L8-Q10 PolarHBondContact O-N 3.02Å
9	S	33.5	Very low	33.1	Very low	114 Å²	114	158.1 Å²	158.1	80%	0.797	81%	0.812	S	S	*	*			trans	-71.4	98.8	166.3	47.5	0	0	0	0	108.8
10	Q	37.6	Very low	33.4	Very low	173 Å²	173	157.2 Å²	157.2	81%	0.808	81%	0.808	S	S	*	*			trans	-172.2	143.4	148.7	-105.2	170.2	18.3	0	0	110.4	L8	L8-Q10 PolarHBondContact O-N 3.02Å
11	L	34.7	Very low	33.6	Very low	161 Å²	161	154.1 Å²	154.1	84%	0.843	80%	0.8	S	S	*	*			trans	92.5	74.8	173	-65.5	131.9	0	0	0	117.6
12	F	37.7	Very low	34.2	Very low	199 Å²	199	151 Å²	151	87%	0.873	79%	0.788	S	S	*	*				-34.4	132.4	128.9	-71.5	-96.7	0	0	0	111
13	D	29.9	Very low	34.9	Very low	122 Å²	122	151.8 Å²	151.8	65%	0.652	79%	0.787	S	S	*	*			cis	86.5	133	45.3	-145.3	2.8	0	0	0	115
14	F	32.9	Very low	35.7	Very low	164 Å²	164	148 Å²	148	72%	0.719	78%	0.783	S	S	*	*			trans	81.3	109.4	166.7	-72.3	-74.9	0	0	0	123.2
15	T	33.9	Very low	36.5	Very low	104 Å²	104	147.9 Å²	147.9	64%	0.638	76%	0.763	S	S	*	*			trans	84.5	103.1	134.1	43.8	0	0	0	0	120.4	L17	T15-L17 PolarHBondContact O-N 3.5Å
16	K	34	Very low	37.2	Very low	221 Å²	221	142.3 Å²	142.3	96%	0.961	75%	0.745	S	S	*	*			trans	-53.6	84.9	147.9	-74.3	176.4	175.1	175.5	0	110.2
17	L	33.2	Very low	38.2	Very low	135 Å²	135	135.6 Å²	135.6	71%	0.707	73%	0.733	S	S	*	*			trans	-98.7	119.2	155.9	-108.1	123.2	0	0	0	107	T15 T19	T15-L17 PolarHBondContact O-N 3.5Å; L17-T19 PolarHBondContact O-N 3.23Å
18	V	36.2	Very low	39.3	Very low	134 Å²	134	137.9 Å²	137.9	81%	0.812	73%	0.731	S	S	*	*			trans	-51.6	101.4	168.8	173.7	0	0	0	0	107.7	I20	V18-I20 PolarHBondContact O-N 3.25Å; V18-I20 VanDerWaalsContact O-N 3.11Å
19	T	34.4	Very low	40.3	Very low	135 Å²	135	138.1 Å²	138.1	83%	0.828	72%	0.72	S	S	*	*			trans	-75.2	102.6	170.9	-14.4	0	0	0	0	105.6	L17 S21	L17-T19 PolarHBondContact O-N 3.23Å; T19-S21 PolarHBondContact O-N 3.48Å
20	I	37.7	Very low	41.4	Very low	140 Å²	140	136.3 Å²	136.3	72%	0.718	70%	0.701	S	S	*	*			trans	-51.4	108.4	165.3	-64.5	171.3	0	0	0	105.2	V18 N22	V18-I20 PolarHBondContact O-N 3.25Å; V18-I20 VanDerWaalsContact O-N 3.11Å; I20-N22 PolarHBondContact O-N 3.05Å; I20-N22 VanDerWaalsContact O-N 3.14Å
21	S	39	Very low	42.4	Very low	93 Å²	93	133.4 Å²	133.4	65%	0.65	69%	0.689	S	S	*	*			trans	-50.1	124.5	169.6	39.9	0	0	0	0	106.9	T19 I23	T19-S21 PolarHBondContact O-N 3.48Å; S21-I23 PolarHBondContact O-N 3.36Å
22	N	38.9	Very low	43.5	Very low	160 Å²	160	130.7 Å²	130.7	86%	0.856	67%	0.672	S	S	*	*			trans	-53.5	93.6	169.4	-79.3	-35.9	0	0	0	107.3	I20 S24	I20-N22 PolarHBondContact O-N 3.05Å; I20-N22 VanDerWaalsContact O-N 3.14Å; N22-S24 PolarHBondContact O-N 3.48Å
23	I	41.4	Very low	44.7	Very low	128 Å²	128	130 Å²	130	66%	0.656	66%	0.663	S	S	*	*			trans	-65	94	163.5	-58.5	175.8	0	0	0	103.1	S21 L25	S21-I23 PolarHBondContact O-N 3.36Å; I23-L25 HydrophobicContact CG2-CD2 4.28Å; I23-L25 HydrophobicContact CG2-CG 3.89Å; I23-L25 PolarHBondContact O-N 3.25Å
24	S	45.1	Very low	46.7	Very low	105 Å²	105	128 Å²	128	73%	0.734	65%	0.653	S	S	*	*			trans	-62.8	82.1	161.1	54.1	0	0	0	0	106.3	N22 T26	N22-S24 PolarHBondContact O-N 3.48Å; S24-T26 VanDerWaalsContact C-N 3.31Å; S24-T26 PolarHBondContact O-N 3.15Å
25	L	46.8	Very low	48.7	Very low	78 Å²	78	123.1 Å²	123.1	41%	0.408	64%	0.637	S	S	.	*			trans	-59.4	104.3	164.2	-80.3	162.9	0	0	0	105	I23 R29 I30	I23-L25 HydrophobicContact CG2-CD2 4.28Å; I23-L25 HydrophobicContact CG2-CG 3.89Å; I23-L25 PolarHBondContact O-N 3.25Å; L25-R29 HydrophobicContact CD2-CB 4.32Å; L25-I30 HydrophobicContact CB-CD1 3.89Å; L25-I30 HydrophobicContact CB-CG1 3.74Å; L25-I30 HydrophobicContact CD1-CG1 4.49Å
26	T	51.2	Low	50.9	Low	73 Å²	73	122.5 Å²	122.5	45%	0.448	63%	0.629	S	S	.	*			trans	-51.3	137.5	174.4	47	0	0	0	0	108.2	S24 R28 R29 I30	S24-T26 VanDerWaalsContact C-N 3.31Å; S24-T26 PolarHBondContact O-N 3.15Å; T26-R28 PolarHBondContact O-N 2.8Å; T26-R29 PolarHBondContact O-N 2.9Å; T26-I30 PolarHBondContact O-N 3.3Å
27	P	56.4	Low	53.2	Low	103 Å²	103	116.4 Å²	116.4	67%	0.669	61%	0.607	S	S	*	*	H	α-helix	trans	-48.8	-31	-177.6	-29	33	0	0	0	113.3	I30 M31	P27-I30 PolarHBondContact O-N 3.23Å; P27-M31 WeakPolarHBondContact O-CB 3.46Å; P27-M31 PolarHBondContact O-N 3.05Å
28	R	56	Low	55.5	Low	193 Å²	193	112.7 Å²	112.7	73%	0.728	59%	0.586	S	S	*	*	H	α-helix	trans	-61.5	-44.3	174.6	-155.1	174.9	-174.1	170	4.8	113.5	T26 M31 E32	T26-R28 PolarHBondContact O-N 2.8Å; R28-M31 PolarHBondContact O-N 3.36Å; R28-E32 WeakPolarHBondContact O-CB 3.45Å; R28-E32 WeakPolarHBondContact O-CG 3.28Å; R28-E32 PolarHBondContact O-N 3.35Å
29	R	55.3	Low	57.8	Low	165 Å²	165	112.5 Å²	112.5	62%	0.623	57%	0.574	S	S	*	*	H	α-helix	trans	-67.8	-35.1	175.7	-77.6	-174.9	177.7	178.8	1	112.2	L25 T26 R33	L25-R29 HydrophobicContact CD2-CB 4.32Å; T26-R29 PolarHBondContact O-N 2.9Å; R29-R33 WeakPolarHBondContact O-CB 3.38Å; R29-R33 PolarHBondContact O-N 3.01Å
30	I	58.2	Low	60.4	Low	76 Å²	76	110.5 Å²	110.5	39%	0.39	56%	0.557	S	S	.	*	H	α-helix	trans	-68.1	-46.4	175	-59	178.7	0	0	0	110.1	L25 T26 P27 R33 N34	L25-I30 HydrophobicContact CB-CD1 3.89Å; L25-I30 HydrophobicContact CB-CG1 3.74Å; L25-I30 HydrophobicContact CD1-CG1 4.49Å; T26-I30 PolarHBondContact O-N 3.3Å; P27-I30 PolarHBondContact O-N 3.23Å; I30-R33 PolarHBondContact O-N 3.24Å; I30-N34 WeakPolarHBondContact O-CB 3.32Å; I30-N34 PolarHBondContact O-N 3.35Å
31	M	57.5	Low	62.8	Low	113 Å²	113	107.7 Å²	107.7	56%	0.557	54%	0.543	S	S	*	.	H	α-helix	trans	-60.8	-47.9	175.9	-87.2	-172.1	162.4	0	0	112.1	P27 R28 R33 N34 T35	P27-M31 WeakPolarHBondContact O-CB 3.46Å; P27-M31 PolarHBondContact O-N 3.05Å; R28-M31 PolarHBondContact O-N 3.36Å; M31-R33 PolarHBondContact O-N 2.88Å; M31-N34 PolarHBondContact O-N 2.81Å; M31-T35 PolarHBondContact O-N 2.88Å; M31-T35 PolarHBondContact O-OG1 2.82Å
32	E	58.3	Low	65.2	Low	103 Å²	103	104.9 Å²	104.9	48%	0.481	52%	0.522	S	S	.	.	H	α-helix	trans	-61.1	-44.2	178.3	-79	173	-171.8	0	0	111.9	R28 N34 T35 N36	R28-E32 WeakPolarHBondContact O-CB 3.45Å; R28-E32 WeakPolarHBondContact O-CG 3.28Å; R28-E32 PolarHBondContact O-N 3.35Å; E32-N34 VanDerWaalsContact C-N 3.34Å; E32-N34 PolarHBondContact O-N 2.89Å; E32-T35 VanDerWaalsContact CA-OG1 3.28Å; E32-T35 WeakPolarHBondContact CA-OG1 3.42Å; E32-T35 PolarHBondContact O-N 2.92Å; E32-T35 PolarHBondContact O-OG1 3.43Å; E32-N36 PolarHBondContact O-N 3.46Å
33	R	63.1	Low	67.6	Low	184 Å²	184	101.9 Å²	101.9	69%	0.694	51%	0.505	S	S	*	.	H	α-helix	trans	-60.9	-41.8	175.3	-171.2	177.1	-178.4	177.1	0.5	111.8	R29 I30 M31 N36 L37	R29-R33 WeakPolarHBondContact O-CB 3.38Å; R29-R33 PolarHBondContact O-N 3.01Å; I30-R33 PolarHBondContact O-N 3.24Å; M31-R33 PolarHBondContact O-N 2.88Å; R33-N36 PolarHBondContact O-N 2.98Å; R33-L37 WeakPolarHBondContact O-CB 3.38Å; R33-L37 PolarHBondContact O-N 3.44Å
34	N	71.1	Confident	70	Confident	80 Å²	80	99.8 Å²	99.8	43%	0.428	50%	0.495	S	S	.	.	H	α-helix	trans	-67	-40.4	177.1	-72.8	-9.9	0	0	0	111.9	I30 M31 E32 H38	I30-N34 WeakPolarHBondContact O-CB 3.32Å; I30-N34 PolarHBondContact O-N 3.35Å; M31-N34 PolarHBondContact O-N 2.81Å; E32-N34 VanDerWaalsContact C-N 3.34Å; E32-N34 PolarHBondContact O-N 2.89Å; N34-H38 WeakPolarHBondContact O-CB 3.4Å; N34-H38 PolarHBondContact O-CD2 3.48Å; N34-H38 PolarHBondContact O-N 3.44Å
35	T	74.7	Confident	72.2	Confident	63 Å²	63	95.5 Å²	95.5	39%	0.387	47%	0.466	S	S	.	.	H	α-helix	trans	-65.9	-40.6	175.5	38.6	0	0	0	0	113.1	M31 E32 H38 K39	M31-T35 PolarHBondContact O-N 2.88Å; M31-T35 PolarHBondContact O-OG1 2.82Å; E32-T35 VanDerWaalsContact CA-OG1 3.28Å; E32-T35 WeakPolarHBondContact CA-OG1 3.42Å; E32-T35 PolarHBondContact O-N 2.92Å; E32-T35 PolarHBondContact O-OG1 3.43Å; T35-H38 PolarHBondContact O-N 3.04Å; T35-K39 WeakPolarHBondContact O-CG 3.3Å; T35-K39 PolarHBondContact O-N 2.9Å
36	N	81.1	Confident	74.5	Confident	90 Å²	90	96 Å²	96	48%	0.481	47%	0.468	S	S	.	.	H	α-helix	trans	-67.1	-42.5	177.3	-74.4	-19.4	0	0	0	111.3	E32 R33 H38 K39 I40	E32-N36 PolarHBondContact O-N 3.46Å; R33-N36 PolarHBondContact O-N 2.98Å; N36-H38 PolarHBondContact O-N 3.43Å; N36-K39 PolarHBondContact O-N 3.03Å; N36-I40 WeakPolarHBondContact O-CD1 3.45Å; N36-I40 VanDerWaalsContact O-CG1 3.27Å; N36-I40 WeakPolarHBondContact O-CG1 3.46Å; N36-I40 PolarHBondContact O-N 3.13Å
37	L	82	Confident	76.5	Confident	93 Å²	93	96.6 Å²	96.6	49%	0.487	47%	0.468	S	S	.	.	H	α-helix	trans	-60.2	-44.4	174.5	-177	61.5	0	0	0	111.5	R33 I40 L41	R33-L37 WeakPolarHBondContact O-CB 3.38Å; R33-L37 PolarHBondContact O-N 3.44Å; L37-I40 PolarHBondContact O-N 3.02Å; L37-L41 HydrophobicContact CD1-CD1 4.44Å; L37-L41 HydrophobicContact CD1-CG 4.43Å; L37-L41 HydrophobicContact CG-CD1 4.12Å; L37-L41 VanDerWaalsContact O-CG 3.32Å; L37-L41 WeakPolarHBondContact O-CG 3.39Å; L37-L41 PolarHBondContact O-N 3.46Å
38	H	81.4	Confident	78.3	Confident	57 Å²	57	95.1 Å²	95.1	26%	0.264	45%	0.453	S	S	.	.	H	α-helix	trans	-62.2	-43.5	176.4	-81.3	-50.9	0	0	0	113	N34 T35 N36 I40 L41 T42	N34-H38 WeakPolarHBondContact O-CB 3.4Å; N34-H38 PolarHBondContact O-CD2 3.48Å; N34-H38 PolarHBondContact O-N 3.44Å; T35-H38 PolarHBondContact O-N 3.04Å; N36-H38 PolarHBondContact O-N 3.43Å; H38-I40 VanDerWaalsContact C-N 3.33Å; H38-I40 PolarHBondContact O-N 3.33Å; H38-L41 PolarHBondContact O-N 3.15Å; H38-T42 WeakPolarHBondContact O-CG2 3.5Å; H38-T42 PolarHBondContact O-N 3.22Å; H38-T42 PolarHBondContact O-OG1 3.32Å; H38-T42 VanDerWaalsContact O-OG1 3.13Å
39	K	85	Confident	80.2	Confident	130 Å²	130	87.8 Å²	87.8	57%	0.565	43%	0.429	S	S	*	.	H	α-helix	trans	-58.6	-46	175.4	-75	177.1	-178.6	178.4	0	111.3	T35 N36 T42 I43	T35-K39 WeakPolarHBondContact O-CG 3.3Å; T35-K39 PolarHBondContact O-N 2.9Å; N36-K39 PolarHBondContact O-N 3.03Å; K39-T42 WeakPolarHBondContact CA-OG1 3.27Å; K39-T42 PolarHBondContact O-N 3.43Å; K39-T42 PolarHBondContact O-OG1 2.99Å; K39-I43 VanDerWaalsContact O-CG1 3.3Å; K39-I43 WeakPolarHBondContact O-CG1 3.39Å; K39-I43 PolarHBondContact O-N 2.73Å
40	I	88.1	Confident	82.1	Confident	94 Å²	94	84 Å²	84	48%	0.482	42%	0.423	S	S	.	.	H	α-helix	trans	-60.6	-48.2	177.5	-67.5	164.4	0	0	0	110.4	N36 L37 H38 T42 I43 L44	N36-I40 WeakPolarHBondContact O-CD1 3.45Å; N36-I40 VanDerWaalsContact O-CG1 3.27Å; N36-I40 WeakPolarHBondContact O-CG1 3.46Å; N36-I40 PolarHBondContact O-N 3.13Å; L37-I40 PolarHBondContact O-N 3.02Å; H38-I40 VanDerWaalsContact C-N 3.33Å; H38-I40 PolarHBondContact O-N 3.33Å; I40-T42 VanDerWaalsContact C-N 3.34Å; I40-T42 PolarHBondContact O-N 3.32Å; I40-I43 PolarHBondContact O-N 3.3Å; I40-L44 HydrophobicContact CG2-CD1 3.87Å; I40-L44 HydrophobicContact CG2-CG 4.34Å; I40-L44 WeakPolarHBondContact O-CG 3.21Å; I40-L44 PolarHBondContact O-N 2.91Å
41	L	87.7	Confident	83.9	Confident	81 Å²	81	85.6 Å²	85.6	42%	0.424	43%	0.432	S	S	.	.	H	α-helix	trans	-61.5	-39.2	178.6	-70.7	171.7	0	0	0	112.6	L37 H38 L44 A45	L37-L41 HydrophobicContact CD1-CD1 4.44Å; L37-L41 HydrophobicContact CD1-CG 4.43Å; L37-L41 HydrophobicContact CG-CD1 4.12Å; L37-L41 VanDerWaalsContact O-CG 3.32Å; L37-L41 WeakPolarHBondContact O-CG 3.39Å; L37-L41 PolarHBondContact O-N 3.46Å; H38-L41 PolarHBondContact O-N 3.15Å; L41-L44 PolarHBondContact O-N 3.01Å; L41-A45 WeakPolarHBondContact O-CB 3.31Å; L41-A45 PolarHBondContact O-N 2.95Å
42	T	89.2	Confident	85.7	Confident	33 Å²	33	80.3 Å²	80.3	20%	0.202	41%	0.406	C	S	.	.	H	α-helix	trans	-66.2	-39.7	175.9	49	0	0	0	0	112.6	H38 K39 I40 A45 L46 L527 T530	H38-T42 WeakPolarHBondContact O-CG2 3.5Å; H38-T42 PolarHBondContact O-N 3.22Å; H38-T42 PolarHBondContact O-OG1 3.32Å; H38-T42 VanDerWaalsContact O-OG1 3.13Å; K39-T42 WeakPolarHBondContact CA-OG1 3.27Å; K39-T42 PolarHBondContact O-N 3.43Å; K39-T42 PolarHBondContact O-OG1 2.99Å; I40-T42 VanDerWaalsContact C-N 3.34Å; I40-T42 PolarHBondContact O-N 3.32Å; T42-A45 PolarHBondContact O-N 2.99Å; T42-L46 WeakPolarHBondContact O-CG 3.26Å; T42-L46 PolarHBondContact O-N 2.96Å; T42-L527 HydrophobicContact CG2-CD2 4.44Å; T42-T530 HydrophobicContact CG2-CG2 4.23Å
43	I	90.9	Very high	87.5	Confident	97 Å²	97	81.9 Å²	81.9	50%	0.497	41%	0.411	S	S	.	.	H	α-helix	trans	-65.3	-45.8	176.4	-68.7	166.2	0	0	0	109.7	K39 I40 A45 L46 I47	K39-I43 VanDerWaalsContact O-CG1 3.3Å; K39-I43 WeakPolarHBondContact O-CG1 3.39Å; K39-I43 PolarHBondContact O-N 2.73Å; I40-I43 PolarHBondContact O-N 3.3Å; I43-A45 PolarHBondContact O-N 3.48Å; I43-L46 PolarHBondContact O-N 3.3Å; I43-I47 HydrophobicContact CG2-CD1 3.73Å; I43-I47 HydrophobicContact CG2-CG1 4.41Å; I43-I47 VanDerWaalsContact O-CG1 3.28Å; I43-I47 WeakPolarHBondContact O-CG1 3.25Å; I43-I47 PolarHBondContact O-N 3.02Å
44	L	91.5	Very high	89.2	Confident	85 Å²	85	77.3 Å²	77.3	45%	0.445	40%	0.4	S	S	.	.	H	α-helix	trans	-60.8	-44.6	176.8	-70.6	172.9	0	0	0	112	I40 L41 L46 I47 I48	I40-L44 HydrophobicContact CG2-CD1 3.87Å; I40-L44 HydrophobicContact CG2-CG 4.34Å; I40-L44 WeakPolarHBondContact O-CG 3.21Å; I40-L44 PolarHBondContact O-N 2.91Å; L41-L44 PolarHBondContact O-N 3.01Å; L44-L46 VanDerWaalsContact C-N 3.34Å; L44-L46 PolarHBondContact O-N 3.46Å; L44-I47 PolarHBondContact O-N 3.47Å; L44-I48 WeakPolarHBondContact O-CB 3.45Å; L44-I48 VanDerWaalsContact O-CG1 3.25Å; L44-I48 WeakPolarHBondContact O-CG1 3.37Å; L44-I48 PolarHBondContact O-N 3.41Å
45	A	91.7	Very high	90.4	Very high	14 Å²	14	74.5 Å²	74.5	12%	0.116	39%	0.39	C	S	.	.	H	α-helix	trans	-62.9	-38.8	177.3	0	0	0	0	0	112.3	L41 T42 I43 L49 L527	L41-A45 WeakPolarHBondContact O-CB 3.31Å; L41-A45 PolarHBondContact O-N 2.95Å; T42-A45 PolarHBondContact O-N 2.99Å; I43-A45 PolarHBondContact O-N 3.48Å; A45-L49 VanDerWaalsContact O-CB 3.24Å; A45-L49 WeakPolarHBondContact O-CB 3.5Å; A45-L49 PolarHBondContact O-N 3.01Å; A45-L527 HydrophobicContact CB-CD2 3.9Å; A45-L527 HydrophobicContact CB-CG 3.93Å
46	L	93.6	Very high	91.4	Very high	89 Å²	89	72.5 Å²	72.5	47%	0.466	38%	0.377	S	S	.	.	H	α-helix	trans	-65.2	-43.2	173.4	-78.1	166.9	0	0	0	112.1	T42 I43 L44 L49 V50 L527	T42-L46 WeakPolarHBondContact O-CG 3.26Å; T42-L46 PolarHBondContact O-N 2.96Å; I43-L46 PolarHBondContact O-N 3.3Å; L44-L46 VanDerWaalsContact C-N 3.34Å; L44-L46 PolarHBondContact O-N 3.46Å; L46-L49 PolarHBondContact O-N 2.94Å; L46-V50 WeakPolarHBondContact O-CG2 3.36Å; L46-V50 PolarHBondContact O-N 3.45Å; L46-L527 HydrophobicContact CD2-CD1 4.08Å; L46-L527 HydrophobicContact CG-CD1 4.38Å; L46-L527 HydrophobicContact CG-CD2 4.18Å
47	I	94.2	Very high	92.1	Very high	85 Å²	85	73 Å²	73	44%	0.436	38%	0.379	S	S	.	.	H	α-helix	trans	-62	-47.9	177	-69.2	167.3	0	0	0	110.4	I43 L44 L49 V50 I51	I43-I47 HydrophobicContact CG2-CD1 3.73Å; I43-I47 HydrophobicContact CG2-CG1 4.41Å; I43-I47 VanDerWaalsContact O-CG1 3.28Å; I43-I47 WeakPolarHBondContact O-CG1 3.25Å; I43-I47 PolarHBondContact O-N 3.02Å; L44-I47 PolarHBondContact O-N 3.47Å; I47-L49 VanDerWaalsContact C-N 3.31Å; I47-L49 PolarHBondContact O-N 3.11Å; I47-V50 PolarHBondContact O-N 3.05Å; I47-I51 HydrophobicContact CG2-CD1 3.59Å; I47-I51 HydrophobicContact CG2-CG1 4.33Å; I47-I51 WeakPolarHBondContact O-CB 3.34Å; I47-I51 VanDerWaalsContact O-CG1 3.29Å; I47-I51 WeakPolarHBondContact O-CG1 3.43Å; I47-I51 PolarHBondContact O-N 2.98Å
48	I	94.3	Very high	92.8	Very high	72 Å²	72	72.9 Å²	72.9	37%	0.369	38%	0.378	S	S	.	.	H	α-helix	trans	-60.9	-42.4	177.5	-66.6	165.4	0	0	0	110.4	L44 S52 L519 S523	L44-I48 WeakPolarHBondContact O-CB 3.45Å; L44-I48 VanDerWaalsContact O-CG1 3.25Å; L44-I48 WeakPolarHBondContact O-CG1 3.37Å; L44-I48 PolarHBondContact O-N 3.41Å; I48-S52 WeakPolarHBondContact O-CB 3.38Å; I48-S52 PolarHBondContact O-N 2.75Å; I48-S52 PolarHBondContact O-OG 2.82Å; I48-L519 HydrophobicContact CG2-CB 4.39Å; I48-L519 HydrophobicContact CG2-CD2 4.47Å; I48-S523 WeakPolarHBondContact CG2-OG 3.33Å
49	L	95.2	Very high	93.5	Very high	40 Å²	40	70.9 Å²	70.9	21%	0.209	37%	0.369	C	S	.	.	H	α-helix	trans	-60	-48.5	177.5	-178.8	64.5	0	0	0	111.8	A45 L46 I47 S52 F53 I520 I524 L527	A45-L49 VanDerWaalsContact O-CB 3.24Å; A45-L49 WeakPolarHBondContact O-CB 3.5Å; A45-L49 PolarHBondContact O-N 3.01Å; L46-L49 PolarHBondContact O-N 2.94Å; I47-L49 VanDerWaalsContact C-N 3.31Å; I47-L49 PolarHBondContact O-N 3.11Å; L49-S52 PolarHBondContact O-N 3.48Å; L49-F53 WeakPolarHBondContact O-CB 3.32Å; L49-F53 PolarHBondContact O-N 3.49Å; L49-I520 HydrophobicContact CD1-CB 4.24Å; L49-I520 HydrophobicContact CD1-CG1 4.29Å; L49-I520 HydrophobicContact CD1-CG2 3.82Å; L49-I524 HydrophobicContact CD1-CD1 4.46Å; L49-I524 HydrophobicContact CD1-CG1 4.1Å; L49-L527 HydrophobicContact CD2-CD1 4.18Å
50	V	95.5	Very high	93.9	Very high	84 Å²	84	67.4 Å²	67.4	51%	0.509	36%	0.356	S	S	.	.	H	α-helix	trans	-64.5	-47.6	179.6	171.9	0	0	0	0	111	L46 I47 S52 F53 I54	L46-V50 WeakPolarHBondContact O-CG2 3.36Å; L46-V50 PolarHBondContact O-N 3.45Å; I47-V50 PolarHBondContact O-N 3.05Å; V50-S52 VanDerWaalsContact C-N 3.31Å; V50-S52 PolarHBondContact O-N 3.36Å; V50-F53 PolarHBondContact O-N 3.22Å; V50-I54 HydrophobicContact CG1-CD1 3.7Å; V50-I54 HydrophobicContact CG1-CG1 4.44Å; V50-I54 VanDerWaalsContact O-CG1 3.3Å; V50-I54 WeakPolarHBondContact O-CG1 3.28Å; V50-I54 PolarHBondContact O-N 2.94Å
51	I	95.8	Very high	94.2	Very high	110 Å²	110	66.2 Å²	66.2	56%	0.564	35%	0.353	S	S	*	.	H	α-helix	trans	-60.5	-42.6	177.7	-69.2	172.7	0	0	0	110.6	I47 I54 G55	I47-I51 HydrophobicContact CG2-CD1 3.59Å; I47-I51 HydrophobicContact CG2-CG1 4.33Å; I47-I51 WeakPolarHBondContact O-CB 3.34Å; I47-I51 VanDerWaalsContact O-CG1 3.29Å; I47-I51 WeakPolarHBondContact O-CG1 3.43Å; I47-I51 PolarHBondContact O-N 2.98Å; I51-I54 PolarHBondContact O-N 2.89Å; I51-G55 PolarHBondContact O-N 2.88Å
52	S	96.2	Very high	94.5	Very high	3 Å²	3	65 Å²	65	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-68.2	-37.9	-179.2	-56	0	0	0	0	111.9	I48 L49 V50 L56 L519	I48-S52 WeakPolarHBondContact O-CB 3.38Å; I48-S52 PolarHBondContact O-N 2.75Å; I48-S52 PolarHBondContact O-OG 2.82Å; L49-S52 PolarHBondContact O-N 3.48Å; V50-S52 VanDerWaalsContact C-N 3.31Å; V50-S52 PolarHBondContact O-N 3.36Å; S52-L56 VanDerWaalsContact O-CB 3.23Å; S52-L56 WeakPolarHBondContact O-CB 3.34Å; S52-L56 PolarHBondContact O-N 2.91Å; S52-L519 VanDerWaalsContact OG-CB 3.31Å; S52-L519 WeakPolarHBondContact OG-CB 3.36Å
53	F	96.1	Very high	94.7	Very high	135 Å²	135	66.2 Å²	66.2	59%	0.592	35%	0.348	S	S	*	.	H	α-helix	trans	-67.5	-44.6	175.7	-170.9	-94.4	0	0	0	112.1	L49 V50 L56 L57	L49-F53 WeakPolarHBondContact O-CB 3.32Å; L49-F53 PolarHBondContact O-N 3.49Å; V50-F53 PolarHBondContact O-N 3.22Å; F53-L56 PolarHBondContact O-N 2.92Å; F53-L57 PolarHBondContact O-N 2.98Å
54	I	96.9	Very high	94.7	Very high	88 Å²	88	65.7 Å²	65.7	45%	0.451	35%	0.346	S	S	.	.	H	α-helix	trans	-62.5	-46.9	175.1	-67.5	169.3	0	0	0	110.1	V50 I51 L56 L57 I58	V50-I54 HydrophobicContact CG1-CD1 3.7Å; V50-I54 HydrophobicContact CG1-CG1 4.44Å; V50-I54 VanDerWaalsContact O-CG1 3.3Å; V50-I54 WeakPolarHBondContact O-CG1 3.28Å; V50-I54 PolarHBondContact O-N 2.94Å; I51-I54 PolarHBondContact O-N 2.89Å; I54-L56 VanDerWaalsContact C-N 3.27Å; I54-L56 PolarHBondContact O-N 2.96Å; I54-L57 PolarHBondContact O-N 3.28Å; I54-I58 HydrophobicContact CG2-CD1 3.71Å; I54-I58 HydrophobicContact CG2-CG1 4.36Å; I54-I58 VanDerWaalsContact O-CG1 3.29Å; I54-I58 WeakPolarHBondContact O-CG1 3.42Å; I54-I58 PolarHBondContact O-N 3.01Å
55	G	96.5	Very high	94.6	Very high	22 Å²	22	65.3 Å²	65.3	23%	0.227	34%	0.344	C	S	.	.	H	α-helix	trans	-59	-39	176.2	0	0	0	0	0	112.4	I51 I58 I59	I51-G55 PolarHBondContact O-N 2.88Å; G55-I58 PolarHBondContact O-N 3.47Å; G55-I59 PolarHBondContact O-N 3.48Å
56	L	96.8	Very high	94.3	Very high	21 Å²	21	65.4 Å²	65.4	11%	0.11	34%	0.343	C	S	.	.	H	α-helix	trans	-66.5	-44	177.3	-175.6	63.8	0	0	0	111.3	S52 F53 I54 I59 I60 F513 L516 I520	S52-L56 VanDerWaalsContact O-CB 3.23Å; S52-L56 WeakPolarHBondContact O-CB 3.34Å; S52-L56 PolarHBondContact O-N 2.91Å; F53-L56 PolarHBondContact O-N 2.92Å; I54-L56 VanDerWaalsContact C-N 3.27Å; I54-L56 PolarHBondContact O-N 2.96Å; L56-I59 HydrophobicContact CD1-CG2 4.33Å; L56-I59 WeakPolarHBondContact O-CG2 3.33Å; L56-I59 PolarHBondContact O-N 3.33Å; L56-I60 HydrophobicContact CD1-CD1 4.19Å; L56-I60 HydrophobicContact CG-CD1 3.94Å; L56-I60 WeakPolarHBondContact O-CB 3.24Å; L56-I60 WeakPolarHBondContact O-CD1 3.21Å; L56-I60 WeakPolarHBondContact O-CG1 3.5Å; L56-I60 PolarHBondContact O-N 3.45Å; L56-F513 HydrophobicContact CD1-CD2 3.43Å; L56-F513 VanDerWaalsContact CD1-CD2 3.43Å; L56-F513 HydrophobicContact CD1-CE2 3.73Å; L56-F513 HydrophobicContact CD1-CG 4.12Å; L56-L516 HydrophobicContact CB-CB 4.31Å; L56-L516 HydrophobicContact CB-CD1 4.36Å; L56-L516 HydrophobicContact CD1-CB 4.27Å; L56-I520 HydrophobicContact CD2-CD1 3.82Å
57	L	96.1	Very high	94	Very high	101 Å²	101	64.1 Å²	64.1	53%	0.529	34%	0.342	S	S	.	.	H	α-helix	trans	-61.7	-45.9	175.1	-176.6	65.3	0	0	0	111.1	F53 I54 I60 V61	F53-L57 PolarHBondContact O-N 2.98Å; I54-L57 PolarHBondContact O-N 3.28Å; L57-I60 PolarHBondContact O-N 3.23Å; L57-V61 HydrophobicContact CD1-CG2 4.49Å; L57-V61 VanDerWaalsContact O-CG2 3.3Å; L57-V61 WeakPolarHBondContact O-CG2 3.36Å; L57-V61 PolarHBondContact O-N 2.91Å
58	I	95.6	Very high	93.6	Very high	89 Å²	89	65.8 Å²	65.8	46%	0.456	35%	0.351	S	S	.	.	H	α-helix	trans	-60.3	-49.2	178.2	-69.4	168.8	0	0	0	110.4	I54 G55 I60 V61 L62	I54-I58 HydrophobicContact CG2-CD1 3.71Å; I54-I58 HydrophobicContact CG2-CG1 4.36Å; I54-I58 VanDerWaalsContact O-CG1 3.29Å; I54-I58 WeakPolarHBondContact O-CG1 3.42Å; I54-I58 PolarHBondContact O-N 3.01Å; G55-I58 PolarHBondContact O-N 3.47Å; I58-I60 VanDerWaalsContact C-N 3.31Å; I58-I60 PolarHBondContact O-N 3.4Å; I58-V61 PolarHBondContact O-N 2.7Å; I58-L62 HydrophobicContact CG2-CD1 3.69Å; I58-L62 HydrophobicContact CG2-CG 4.09Å; I58-L62 WeakPolarHBondContact O-CB 3.31Å; I58-L62 VanDerWaalsContact O-CG 3.26Å; I58-L62 WeakPolarHBondContact O-CG 3.27Å; I58-L62 PolarHBondContact O-N 2.9Å
59	I	95.5	Very high	93.2	Very high	16 Å²	16	64 Å²	64	8%	0.082	34%	0.342	C	S	.	.	H	α-helix	trans	-67.2	-33.4	-177.1	-158.3	63.1	0	0	0	112.1	G55 L56 Y63 V504 F509 L512 L516	G55-I59 PolarHBondContact O-N 3.48Å; L56-I59 HydrophobicContact CD1-CG2 4.33Å; L56-I59 WeakPolarHBondContact O-CG2 3.33Å; L56-I59 PolarHBondContact O-N 3.33Å; I59-Y63 VanDerWaalsContact O-CB 3.24Å; I59-Y63 WeakPolarHBondContact O-CB 3.3Å; I59-Y63 PolarHBondContact O-N 2.92Å; I59-V504 HydrophobicContact CD1-CG1 4.22Å; I59-F509 HydrophobicContact CG1-CD2 4.14Å; I59-F509 HydrophobicContact CG2-CD2 4.49Å; I59-F509 HydrophobicContact CG2-CE2 4.38Å; I59-L512 HydrophobicContact CD1-CD1 3.54Å; I59-L512 HydrophobicContact CG1-CB 4.07Å; I59-L512 HydrophobicContact CG1-CD1 3.95Å; I59-L516 HydrophobicContact CG2-CD1 4.04Å
60	I	95.2	Very high	92.8	Very high	56 Å²	56	65.6 Å²	65.6	29%	0.287	36%	0.355	S	S	.	.	H	α-helix	trans	-63.9	-48.9	172.1	-70.3	166.6	0	0	0	110.4	L56 L57 I58 L62 Y63 I64 F509 F513	L56-I60 HydrophobicContact CD1-CD1 4.19Å; L56-I60 HydrophobicContact CG-CD1 3.94Å; L56-I60 WeakPolarHBondContact O-CB 3.24Å; L56-I60 WeakPolarHBondContact O-CD1 3.21Å; L56-I60 WeakPolarHBondContact O-CG1 3.5Å; L56-I60 PolarHBondContact O-N 3.45Å; L57-I60 PolarHBondContact O-N 3.23Å; I58-I60 VanDerWaalsContact C-N 3.31Å; I58-I60 PolarHBondContact O-N 3.4Å; I60-L62 PolarHBondContact O-N 3.46Å; I60-Y63 PolarHBondContact O-N 2.92Å; I60-I64 HydrophobicContact CG2-CD1 3.74Å; I60-I64 HydrophobicContact CG2-CG1 4.41Å; I60-I64 VanDerWaalsContact O-CG1 3.27Å; I60-I64 WeakPolarHBondContact O-CG1 3.29Å; I60-I64 PolarHBondContact O-N 2.92Å; I60-F509 HydrophobicContact CG1-CE2 4.13Å; I60-F509 HydrophobicContact CG1-CZ 4.45Å; I60-F513 HydrophobicContact CD1-CE2 4.25Å; I60-F513 HydrophobicContact CG1-CD2 4.45Å
61	V	94.1	Very high	92.7	Very high	70 Å²	70	64.4 Å²	64.4	42%	0.424	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-46.5	178.4	170.8	0	0	0	0	110.9	L57 I58 Y63 I64 L65	L57-V61 HydrophobicContact CD1-CG2 4.49Å; L57-V61 VanDerWaalsContact O-CG2 3.3Å; L57-V61 WeakPolarHBondContact O-CG2 3.36Å; L57-V61 PolarHBondContact O-N 2.91Å; I58-V61 PolarHBondContact O-N 2.7Å; V61-Y63 VanDerWaalsContact C-N 3.31Å; V61-Y63 PolarHBondContact O-N 3.46Å; V61-I64 PolarHBondContact O-N 3.46Å; V61-L65 HydrophobicContact CG1-CD1 3.99Å; V61-L65 HydrophobicContact CG1-CG 4.4Å; V61-L65 WeakPolarHBondContact O-CB 3.43Å; V61-L65 VanDerWaalsContact O-CG 3.3Å; V61-L65 WeakPolarHBondContact O-CG 3.27Å; V61-L65 PolarHBondContact O-N 2.96Å
62	L	93.2	Very high	92.6	Very high	56 Å²	56	61 Å²	61	29%	0.293	33%	0.33	S	S	.	.	H	α-helix	trans	-61.6	-39.7	177.1	-67.6	175.2	0	0	0	111.8	I58 I60 L65 S66 V502 V504	I58-L62 HydrophobicContact CG2-CD1 3.69Å; I58-L62 HydrophobicContact CG2-CG 4.09Å; I58-L62 WeakPolarHBondContact O-CB 3.31Å; I58-L62 VanDerWaalsContact O-CG 3.26Å; I58-L62 WeakPolarHBondContact O-CG 3.27Å; I58-L62 PolarHBondContact O-N 2.9Å; I60-L62 PolarHBondContact O-N 3.46Å; L62-L65 PolarHBondContact O-N 3.27Å; L62-S66 WeakPolarHBondContact O-CB 3.5Å; L62-S66 PolarHBondContact O-N 3.14Å; L62-S66 PolarHBondContact O-OG 2.91Å; L62-V502 HydrophobicContact CB-CG1 4.04Å; L62-V502 HydrophobicContact CD2-CG1 3.73Å; L62-V502 HydrophobicContact CD2-CG2 4.08Å; L62-V502 HydrophobicContact CG-CG1 4.43Å; L62-V504 HydrophobicContact CB-CG2 3.85Å
63	Y	93.3	Very high	92.6	Very high	57 Å²	57	62.6 Å²	62.6	22%	0.224	34%	0.336	C	S	.	.	H	α-helix	trans	-66.2	-43.7	176.6	-177.1	-111.2	0	0	0	112.2	I59 I60 V61 L65 S66 S67 V504 F509	I59-Y63 VanDerWaalsContact O-CB 3.24Å; I59-Y63 WeakPolarHBondContact O-CB 3.3Å; I59-Y63 PolarHBondContact O-N 2.92Å; I60-Y63 PolarHBondContact O-N 2.92Å; V61-Y63 VanDerWaalsContact C-N 3.31Å; V61-Y63 PolarHBondContact O-N 3.46Å; Y63-L65 PolarHBondContact O-N 3.36Å; Y63-S66 WeakPolarHBondContact CA-OG 3.25Å; Y63-S66 PolarHBondContact O-N 2.92Å; Y63-S66 PolarHBondContact O-OG 2.88Å; Y63-S67 WeakPolarHBondContact O-CB 3.25Å; Y63-S67 PolarHBondContact O-N 3.29Å; Y63-S67 PolarHBondContact O-OG 3.31Å; Y63-V504 HydrophobicContact CD2-CB 4.48Å; Y63-V504 HydrophobicContact CD2-CG1 4.37Å; Y63-F509 VanDerWaalsContact CB-CD2 3.4Å; Y63-F509 AromaticContact CD1-CD1 3.86Å; Y63-F509 HydrophobicContact CD1-CD1 3.86Å; Y63-F509 HydrophobicContact CD1-CD2 4.05Å; Y63-F509 AromaticContact CD1-CE1 3.84Å; Y63-F509 HydrophobicContact CD1-CE1 3.84Å; Y63-F509 HydrophobicContact CD1-CE2 4.04Å; Y63-F509 AromaticContact CD1-CG 3.97Å; Y63-F509 HydrophobicContact CD1-CG 3.97Å; Y63-F509 AromaticContact CD1-CZ 3.94Å; Y63-F509 HydrophobicContact CD1-CZ 3.94Å; Y63-F509 HydrophobicContact CD2-CB 3.58Å; Y63-F509 HydrophobicContact CD2-CD1 4.04Å; Y63-F509 HydrophobicContact CD2-CD2 4.04Å; Y63-F509 AromaticContact CD2-CG 3.6Å; Y63-F509 HydrophobicContact CD2-CG 3.6Å; Y63-F509 AromaticContact CE1-CD1 3.94Å; Y63-F509 HydrophobicContact CE1-CD1 3.94Å; Y63-F509 AromaticContact CE1-CE1 3.99Å; Y63-F509 HydrophobicContact CE1-CE1 3.99Å; Y63-F509 HydrophobicContact CE1-CG 4.41Å; Y63-F509 HydrophobicContact CE2-CB 4.01Å; Y63-F509 HydrophobicContact CE2-CD1 4.12Å; Y63-F509 HydrophobicContact CE2-CG 4.1Å; Y63-F509 HydrophobicContact CG-CB 4.03Å; Y63-F509 AromaticContact CG-CD1 3.91Å; Y63-F509 HydrophobicContact CG-CD1 3.91Å; Y63-F509 AromaticContact CG-CD2 3.56Å; Y63-F509 HydrophobicContact CG-CD2 3.56Å; Y63-F509 HydrophobicContact CG-CE1 4.27Å; Y63-F509 AromaticContact CG-CE2 3.96Å; Y63-F509 HydrophobicContact CG-CE2 3.96Å; Y63-F509 AromaticContact CG-CG 3.53Å; Y63-F509 HydrophobicContact CG-CG 3.53Å; Y63-F509 HydrophobicContact CG-CZ 4.3Å
64	I	91.4	Very high	92.7	Very high	87 Å²	87	56.1 Å²	56.1	45%	0.446	31%	0.308	S	S	.	.	H	α-helix	trans	-59.8	-46.3	174.9	-70.5	169.4	0	0	0	110.4	I60 V61 S66 S67 N68	I60-I64 HydrophobicContact CG2-CD1 3.74Å; I60-I64 HydrophobicContact CG2-CG1 4.41Å; I60-I64 VanDerWaalsContact O-CG1 3.27Å; I60-I64 WeakPolarHBondContact O-CG1 3.29Å; I60-I64 PolarHBondContact O-N 2.92Å; V61-I64 PolarHBondContact O-N 3.46Å; I64-S66 VanDerWaalsContact C-N 3.33Å; I64-S66 PolarHBondContact O-N 3.27Å; I64-S67 PolarHBondContact O-N 3.42Å; I64-N68 WeakPolarHBondContact CG2-ND2 3.4Å; I64-N68 PolarHBondContact O-N 3.46Å; I64-N68 PolarHBondContact O-ND2 2.95Å
65	L	88.7	Confident	92.7	Very high	77 Å²	77	52 Å²	52	40%	0.403	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-40.1	176.6	-70.7	173.4	0	0	0	111.8	V61 L62 Y63 S67	V61-L65 HydrophobicContact CG1-CD1 3.99Å; V61-L65 HydrophobicContact CG1-CG 4.4Å; V61-L65 WeakPolarHBondContact O-CB 3.43Å; V61-L65 VanDerWaalsContact O-CG 3.3Å; V61-L65 WeakPolarHBondContact O-CG 3.27Å; V61-L65 PolarHBondContact O-N 2.96Å; L62-L65 PolarHBondContact O-N 3.27Å; Y63-L65 PolarHBondContact O-N 3.36Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 2.95Å
66	S	87	Confident	92.8	Very high	16 Å²	16	50.9 Å²	50.9	11%	0.112	28%	0.275	C	S	.	.	H	α-helix	trans	-73.9	-19.9	178	69.3	0	0	0	0	114.2	L62 Y63 I64 I69	L62-S66 WeakPolarHBondContact O-CB 3.5Å; L62-S66 PolarHBondContact O-N 3.14Å; L62-S66 PolarHBondContact O-OG 2.91Å; Y63-S66 WeakPolarHBondContact CA-OG 3.25Å; Y63-S66 PolarHBondContact O-N 2.92Å; Y63-S66 PolarHBondContact O-OG 2.88Å; I64-S66 VanDerWaalsContact C-N 3.33Å; I64-S66 PolarHBondContact O-N 3.27Å; S66-I69 WeakPolarHBondContact O-CD1 3.31Å
67	S	85.8	Confident	92.8	Very high	61 Å²	61	49.9 Å²	49.9	43%	0.427	27%	0.27	S	S	.	.	H	α-helix	trans	-97.4	-25.3	-177	-56.3	0	0	0	0	113.2	Y63 I64 L65 I69	Y63-S67 WeakPolarHBondContact O-CB 3.25Å; Y63-S67 PolarHBondContact O-N 3.29Å; Y63-S67 PolarHBondContact O-OG 3.31Å; I64-S67 PolarHBondContact O-N 3.42Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 2.95Å; S67-I69 PolarHBondContact O-N 3.32Å
68	N	85.6	Confident	92.8	Very high	120 Å²	120	45.7 Å²	45.7	64%	0.642	25%	0.248	S	C	*	.			trans	-100.8	62.3	-179.4	-66.2	-74	0	0	0	110.7	I64	I64-N68 WeakPolarHBondContact CG2-ND2 3.4Å; I64-N68 PolarHBondContact O-N 3.46Å; I64-N68 PolarHBondContact O-ND2 2.95Å
69	I	86.4	Confident	92.7	Very high	34 Å²	34	41.5 Å²	41.5	17%	0.174	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-83.8	125.6	177.7	-56.2	174.3	0	0	0	108.4	S66 S67 I92 D93 E94	S66-I69 WeakPolarHBondContact O-CD1 3.31Å; S67-I69 PolarHBondContact O-N 3.32Å; I69-I92 HydrophobicContact CB-CG2 3.88Å; I69-I92 HydrophobicContact CG2-CG2 3.59Å; I69-D93 VanDerWaalsContact CG2-C 3.45Å; I69-D93 HydrophobicContact CG2-CB 4.35Å; I69-D93 WeakPolarHBondContact CG2-O 3.42Å; I69-E94 WeakPolarHBondContact CD1-OE2 3.2Å
70	P	88	Confident	92.5	Very high	74 Å²	74	41.2 Å²	41.2	48%	0.481	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-70.1	153.1	-179.3	28.9	-34.5	0	0	0	112.5	D93	P70-D93 PolarHBondContact O-N 3.4Å; P70-D93 VanDerWaalsContact O-N 3.16Å
71	D	92.3	Very high	91.9	Very high	60 Å²	60	40 Å²	40	32%	0.321	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.2	164.4	-80.4	-16.8	0	0	0	109.2	Y73 K90 W91	D71-Y73 HydrophobicContact CB-CE2 3.88Å; D71-K90 IonicContact OD2-NZ 2.77Å; D71-K90 PolarHBondContact OD2-NZ 2.83Å; D71-W91 WeakPolarHBondContact CA-O 3.36Å
72	V	94.3	Very high	91.4	Very high	37 Å²	37	40.9 Å²	40.9	22%	0.224	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	140.4	165.9	172.3	0	0	0	0	108.8	K90 W91 D93	V72-K90 CarbonylContact O-C 3.54Å; V72-K90 WeakPolarHBondContact O-CA 3.18Å; V72-K90 WeakPolarHBondContact O-CB 3.38Å; V72-W91 HydrophobicContact CB-CD2 4.4Å; V72-W91 HydrophobicContact CB-CZ2 3.95Å; V72-W91 HydrophobicContact CG1-CH2 3.66Å; V72-W91 HydrophobicContact CG1-CZ2 3.33Å; V72-W91 HydrophobicContact CG1-CZ3 4.39Å; V72-W91 PolarHBondContact N-O 2.73Å; V72-W91 PolarHBondContact O-N 2.67Å; V72-D93 HydrophobicContact CG2-CB 3.6Å
73	Y	96.8	Very high	91.2	Very high	37 Å²	37	38.9 Å²	38.9	15%	0.145	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	154	179.9	-66	-90.7	0	0	0	110.7	D71 L88 Y89 K90 V105 L139 P148	D71-Y73 HydrophobicContact CB-CE2 3.88Å; Y73-L88 HydrophobicContact CD1-CD1 4.09Å; Y73-L88 HydrophobicContact CD1-CG 4.38Å; Y73-Y89 CarbonylContact C-O 3.58Å; Y73-Y89 VanDerWaalsContact CA-O 3.3Å; Y73-Y89 WeakPolarHBondContact CA-O 3.23Å; Y73-K90 HydrophobicContact CD1-CB 3.76Å; Y73-K90 HydrophobicContact CE1-CB 3.83Å; Y73-K90 HydrophobicContact CE1-CD 3.94Å; Y73-K90 HydrophobicContact CG-CB 4.42Å; Y73-V105 HydrophobicContact CE1-CG2 4.31Å; Y73-L139 HydrophobicContact CD1-CD2 3.69Å; Y73-L139 HydrophobicContact CD2-CD2 4.04Å; Y73-L139 HydrophobicContact CE1-CD2 3.72Å; Y73-L139 HydrophobicContact CE2-CD2 4.1Å; Y73-L139 HydrophobicContact CG-CD1 4.5Å; Y73-L139 HydrophobicContact CG-CD2 3.85Å; Y73-P148 WeakPolarHBondContact O-CD 3.48Å
74	S	97.1	Very high	91.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	146.4	170.9	-180	0	0	0	0	110.7	Y89 P148 Y150 M488	S74-Y89 PolarHBondContact N-O 3.48Å; S74-Y89 PolarHBondContact O-N 2.93Å; S74-P148 WeakPolarHBondContact CA-O 3.13Å; S74-P148 PolarHBondContact OG-O 2.99Å; S74-Y150 WeakPolarHBondContact OG-CE2 3.31Å; S74-M488 WeakPolarHBondContact CB-SD 3.34Å; S74-M488 PolarHBondContact OG-SD 2.84Å
75	V	97.7	Very high	91.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.6	174	177.7	0	0	0	0	109.6	I77 H87 L88 L132 L135 T136 T147 P148 I149 Y150 F184	V75-I77 HydrophobicContact CG1-CG1 4.16Å; V75-H87 VanDerWaalsContact CA-O 3.32Å; V75-H87 WeakPolarHBondContact CA-O 3.49Å; V75-L88 HydrophobicContact CG2-CD1 4.1Å; V75-L132 HydrophobicContact CG1-CD1 3.92Å; V75-L132 HydrophobicContact CG2-CD1 4.45Å; V75-L135 HydrophobicContact CG1-CD2 4.14Å; V75-T136 HydrophobicContact CG2-CG2 3.92Å; V75-T147 HydrophobicContact CG2-CG2 4.04Å; V75-P148 PolarHBondContact N-O 3.33Å; V75-I149 HydrophobicContact CB-CB 4.18Å; V75-I149 HydrophobicContact CB-CD1 4.08Å; V75-I149 HydrophobicContact CB-CG1 3.89Å; V75-I149 HydrophobicContact CG1-CD1 3.8Å; V75-I149 HydrophobicContact CG1-CG1 3.88Å; V75-I149 CarbonylContact O-C 3.6Å; V75-I149 WeakPolarHBondContact O-CA 3.36Å; V75-Y150 PolarHBondContact O-N 2.92Å; V75-F184 HydrophobicContact CG2-CD1 4.48Å; V75-F184 HydrophobicContact CG2-CE1 4.11Å
76	V	97.7	Very high	91.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.9	171.4	-179.3	0	0	0	0	109.5	H87 Y89 Y150 W483 A484 Y487 M488	V76-H87 PolarHBondContact N-O 3.28Å; V76-H87 PolarHBondContact O-N 2.87Å; V76-Y89 HydrophobicContact CB-CD2 4.25Å; V76-Y89 HydrophobicContact CB-CE2 3.97Å; V76-Y89 HydrophobicContact CG2-CD2 3.89Å; V76-Y89 HydrophobicContact CG2-CE2 3.98Å; V76-Y150 CarbonylContact C-O 3.49Å; V76-Y150 HydrophobicContact CG2-CD2 4.37Å; V76-W483 HydrophobicContact CG1-CH2 4.17Å; V76-W483 HydrophobicContact CG1-CZ3 4.29Å; V76-A484 HydrophobicContact CG1-CB 3.88Å; V76-Y487 HydrophobicContact CG1-CD1 4.26Å; V76-Y487 HydrophobicContact CG2-CD1 4.34Å; V76-M488 HydrophobicContact CG2-CB 4.12Å; V76-M488 HydrophobicContact CG2-CG 4.33Å; V76-M488 HydrophobicContact CG2-SD 3.76Å
77	I	97.1	Very high	92.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	105.7	176.7	-50.2	178.2	0	0	0	108.2	V75 A79 K85 L86 L128 I149 Y150 L151 A152	V75-I77 HydrophobicContact CG1-CG1 4.16Å; I77-A79 PolarHBondContact O-N 3.25Å; I77-K85 CarbonylContact C-O 3.5Å; I77-K85 WeakPolarHBondContact CA-O 3.3Å; I77-L86 HydrophobicContact CD1-CG 4.46Å; I77-L86 HydrophobicContact CG1-CG 4.05Å; I77-L86 HydrophobicContact CG2-CD1 4.36Å; I77-L86 HydrophobicContact CG2-CG 4.15Å; I77-L128 HydrophobicContact CD1-CD1 4.08Å; I77-L128 HydrophobicContact CD1-CD2 3.82Å; I77-L128 HydrophobicContact CD1-CG 4.37Å; I77-L128 HydrophobicContact CG2-CD1 4.16Å; I77-I149 HydrophobicContact CD1-CD1 4.03Å; I77-I149 HydrophobicContact CD1-CG1 4.29Å; I77-Y150 WeakPolarHBondContact CG1-O 3.29Å; I77-Y150 PolarHBondContact N-O 3.43Å; I77-L151 HydrophobicContact CB-CB 3.97Å; I77-L151 HydrophobicContact CB-CD1 4.1Å; I77-L151 HydrophobicContact CB-CG 3.97Å; I77-L151 HydrophobicContact CD1-CB 4.44Å; I77-L151 HydrophobicContact CD1-CD1 4.16Å; I77-L151 HydrophobicContact CG2-CD1 3.89Å; I77-L151 HydrophobicContact CG2-CG 4.07Å; I77-L151 WeakPolarHBondContact O-CA 3.41Å; I77-A152 PolarHBondContact O-N 3.01Å; I77-A152 VanDerWaalsContact O-N 3.08Å
78	D	95.7	Very high	92.8	Very high	13 Å²	13	29 Å²	29	7%	0.07	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	99.7	169.2	173.3	17.5	0	0	0	109.3	G80 S84 K85 W483 A484	D78-G80 VanDerWaalsContact C-N 3.26Å; D78-G80 PolarHBondContact O-N 2.86Å; D78-G80 VanDerWaalsContact O-N 3.08Å; D78-G80 PolarHBondContact OD1-N 3.47Å; D78-S84 CarbonylContact O-C 3.58Å; D78-S84 WeakPolarHBondContact O-CA 3.24Å; D78-S84 WeakPolarHBondContact O-CB 3.47Å; D78-K85 HydrophobicContact CB-CB 4.37Å; D78-K85 PolarHBondContact N-O 3.11Å; D78-K85 PolarHBondContact O-N 2.91Å; D78-W483 HydrophobicContact CB-CZ2 3.79Å; D78-W483 VanDerWaalsContact CG-NE1 3.26Å; D78-W483 WeakPolarHBondContact OD1-CZ2 3.23Å; D78-W483 PolarHBondContact OD1-NE1 3.35Å; D78-A484 HydrophobicContact CB-CB 4.42Å
79	A	94.3	Very high	93.4	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.008	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	70.5	177.1	0	0	0	0	0	110.6	I77 I114 L151 A152 A153 T154	I77-A79 PolarHBondContact O-N 3.25Å; A79-I114 HydrophobicContact CB-CD1 3.39Å; A79-I114 HydrophobicContact CB-CG1 3.63Å; A79-L151 HydrophobicContact CB-CD2 4.17Å; A79-L151 HydrophobicContact CB-CG 4.38Å; A79-A152 PolarHBondContact N-O 3.44Å; A79-A153 HydrophobicContact CB-CB 3.67Å; A79-A153 WeakPolarHBondContact O-CA 3.45Å; A79-T154 PolarHBondContact O-N 2.95Å
80	G	89.8	Confident	93.8	Very high	9 Å²	9	25 Å²	25	9%	0.093	14%	0.138	C	C	.	.			trans	-70.4	162.1	178.6	0	0	0	0	0	114.9	D78 T82 S83 T154	D78-G80 VanDerWaalsContact C-N 3.26Å; D78-G80 PolarHBondContact O-N 2.86Å; D78-G80 VanDerWaalsContact O-N 3.08Å; D78-G80 PolarHBondContact OD1-N 3.47Å; G80-T82 PolarHBondContact O-N 3.41Å; G80-S83 CarbonylContact C-O 3.57Å; G80-S83 WeakPolarHBondContact CA-O 3.28Å; G80-S83 PolarHBondContact N-O 2.81Å; G80-T154 WeakPolarHBondContact CA-OG1 3.26Å
81	S	84.3	Confident	94.2	Very high	31 Å²	31	21.6 Å²	21.6	22%	0.217	12%	0.116	C	C	.	.	S	Bend	trans	-66.6	-28.5	-176.3	62.1	0	0	0	0	115.3
82	T	82.6	Confident	94.2	Very high	88 Å²	88	23 Å²	23	54%	0.54	12%	0.122	S	C	.	.	S	Bend	trans	-106.1	-27.9	-176.8	-53.2	0	0	0	0	112.3	G80	G80-T82 PolarHBondContact O-N 3.41Å
83	S	89.4	Confident	94.1	Very high	15 Å²	15	21.4 Å²	21.4	11%	0.105	11%	0.112	C	C	.	.			trans	-162.5	150	-176.9	59.3	0	0	0	0	108.2	G80 K109 L110	G80-S83 CarbonylContact C-O 3.57Å; G80-S83 WeakPolarHBondContact CA-O 3.28Å; G80-S83 PolarHBondContact N-O 2.81Å; S83-K109 VanDerWaalsContact OG-CE 3.27Å; S83-K109 WeakPolarHBondContact OG-CE 3.23Å; S83-L110 CarbonylContact C-O 3.05Å; S83-L110 VanDerWaalsContact CA-O 3.23Å; S83-L110 WeakPolarHBondContact CA-O 3.46Å; S83-L110 WeakPolarHBondContact CB-O 3.47Å
84	S	92.6	Very high	93.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	145.1	167.6	-51	0	0	0	0	110.5	D78 L110 I114	D78-S84 CarbonylContact O-C 3.58Å; D78-S84 WeakPolarHBondContact O-CA 3.24Å; D78-S84 WeakPolarHBondContact O-CB 3.47Å; S84-L110 PolarHBondContact N-O 3.26Å; S84-L110 PolarHBondContact O-N 2.89Å; S84-I114 PolarHBondContact OG-N 3.39Å
85	K	94.5	Very high	93.1	Very high	80 Å²	80	23.6 Å²	23.6	35%	0.348	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.8	176	-60.5	172.5	-171.8	161.6	0	108.8	I77 D78 H87 E108	I77-K85 CarbonylContact C-O 3.5Å; I77-K85 WeakPolarHBondContact CA-O 3.3Å; D78-K85 HydrophobicContact CB-CB 4.37Å; D78-K85 PolarHBondContact N-O 3.11Å; D78-K85 PolarHBondContact O-N 2.91Å; K85-H87 VanDerWaalsContact CB-NE2 3.31Å; K85-H87 WeakPolarHBondContact CB-NE2 3.27Å; K85-E108 CarbonylContact C-O 3.58Å; K85-E108 WeakPolarHBondContact CA-O 3.49Å
86	L	97.2	Very high	92.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.7	176.2	-61.9	67.4	0	0	0	107.3	I77 N107 E108 L128 K131 L132 L135	I77-L86 HydrophobicContact CD1-CG 4.46Å; I77-L86 HydrophobicContact CG1-CG 4.05Å; I77-L86 HydrophobicContact CG2-CD1 4.36Å; I77-L86 HydrophobicContact CG2-CG 4.15Å; L86-N107 CarbonylContact O-C 3.55Å; L86-N107 WeakPolarHBondContact O-CA 3.5Å; L86-N107 WeakPolarHBondContact O-CB 3.28Å; L86-E108 PolarHBondContact N-O 3.46Å; L86-E108 PolarHBondContact O-N 2.91Å; L86-L128 HydrophobicContact CD1-CD1 3.79Å; L86-L128 HydrophobicContact CD2-CD1 3.74Å; L86-L128 HydrophobicContact CD2-CG 4.47Å; L86-L128 HydrophobicContact CG-CD1 3.97Å; L86-K131 HydrophobicContact CD1-CB 4.43Å; L86-K131 HydrophobicContact CD2-CB 4.04Å; L86-L132 HydrophobicContact CD2-CB 4Å; L86-L132 HydrophobicContact CD2-CD1 4.42Å; L86-L135 HydrophobicContact CB-CD2 3.76Å
87	H	97.4	Very high	92.1	Very high	9 Å²	9	31.7 Å²	31.7	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.4	-176.6	-59.4	-94.6	0	0	0	108.9	V75 V76 K85 Y89 E104	V75-H87 VanDerWaalsContact CA-O 3.32Å; V75-H87 WeakPolarHBondContact CA-O 3.49Å; V76-H87 PolarHBondContact N-O 3.28Å; V76-H87 PolarHBondContact O-N 2.87Å; K85-H87 VanDerWaalsContact CB-NE2 3.31Å; K85-H87 WeakPolarHBondContact CB-NE2 3.27Å; H87-Y89 HydrophobicContact CB-CD2 4.07Å; H87-Y89 HydrophobicContact CB-CE1 4.27Å; H87-Y89 HydrophobicContact CB-CE2 3.46Å; H87-Y89 VanDerWaalsContact CB-CE2 3.46Å; H87-Y89 AromaticContact CG-CZ 3.94Å; H87-Y89 PolarHBondContact ND1-OH 3.42Å; H87-E104 IonicContact CE1-OE1 3.69Å; H87-E104 IonicContact CG-OE1 2.69Å; H87-E104 IonicContact ND1-OE1 3.56Å; H87-E104 PolarHBondContact ND1-OE1 3.2Å
88	L	98	Very high	91.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114.9	166	177.8	62.8	0	0	0	107.7	Y73 V75 V105 T106 L135 L139	Y73-L88 HydrophobicContact CD1-CD1 4.09Å; Y73-L88 HydrophobicContact CD1-CG 4.38Å; V75-L88 HydrophobicContact CG2-CD1 4.1Å; L88-V105 HydrophobicContact CB-CB 4.35Å; L88-V105 HydrophobicContact CD2-CB 4.09Å; L88-V105 HydrophobicContact CD2-CG1 4.07Å; L88-V105 HydrophobicContact CD2-CG2 4.49Å; L88-V105 HydrophobicContact CG-CB 4.02Å; L88-V105 HydrophobicContact CG-CG2 4.22Å; L88-V105 WeakPolarHBondContact O-CB 3.38Å; L88-V105 PolarHBondContact O-N 2.89Å; L88-T106 HydrophobicContact CB-CG2 4.06Å; L88-T106 HydrophobicContact CD2-CG2 4.27Å; L88-T106 PolarHBondContact N-O 3.32Å; L88-L135 HydrophobicContact CB-CD1 4.34Å; L88-L135 HydrophobicContact CB-CD2 4.14Å; L88-L135 HydrophobicContact CB-CG 3.98Å; L88-L139 HydrophobicContact CD1-CD1 4.03Å; L88-L139 HydrophobicContact CD2-CD1 4.41Å; L88-L139 HydrophobicContact CD2-CD2 4.5Å; L88-L139 HydrophobicContact CD2-CG 4.43Å
89	Y	97.3	Very high	91.8	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	155.9	176.3	-68.6	-59.1	0	0	0	110.9	Y73 S74 V76 H87 V102 D103 E104 L485 M488	Y73-Y89 CarbonylContact C-O 3.58Å; Y73-Y89 VanDerWaalsContact CA-O 3.3Å; Y73-Y89 WeakPolarHBondContact CA-O 3.23Å; S74-Y89 PolarHBondContact N-O 3.48Å; S74-Y89 PolarHBondContact O-N 2.93Å; V76-Y89 HydrophobicContact CB-CD2 4.25Å; V76-Y89 HydrophobicContact CB-CE2 3.97Å; V76-Y89 HydrophobicContact CG2-CD2 3.89Å; V76-Y89 HydrophobicContact CG2-CE2 3.98Å; H87-Y89 HydrophobicContact CB-CD2 4.07Å; H87-Y89 HydrophobicContact CB-CE1 4.27Å; H87-Y89 HydrophobicContact CB-CE2 3.46Å; H87-Y89 VanDerWaalsContact CB-CE2 3.46Å; H87-Y89 AromaticContact CG-CZ 3.94Å; H87-Y89 PolarHBondContact ND1-OH 3.42Å; Y89-V102 HydrophobicContact CD1-CG1 3.66Å; Y89-V102 HydrophobicContact CE1-CG1 4.49Å; Y89-V102 HydrophobicContact CG-CG1 3.72Å; Y89-D103 CarbonylContact C-O 3.57Å; Y89-D103 WeakPolarHBondContact CA-O 3.37Å; Y89-E104 HydrophobicContact CD1-CB 4Å; Y89-E104 HydrophobicContact CD1-CG 4.34Å; Y89-E104 HydrophobicContact CE1-CB 3.75Å; Y89-E104 HydrophobicContact CE1-CG 3.97Å; Y89-L485 HydrophobicContact CD1-CD1 4.22Å; Y89-L485 HydrophobicContact CE1-CD1 3.78Å; Y89-L485 PolarHBondContact OH-N 3.32Å; Y89-M488 HydrophobicContact CD2-CB 3.76Å; Y89-M488 HydrophobicContact CD2-CG 3.68Å; Y89-M488 HydrophobicContact CE2-CB 4.06Å; Y89-M488 HydrophobicContact CE2-CG 4.48Å; Y89-M488 HydrophobicContact CG-CB 4.37Å; Y89-M488 HydrophobicContact CG-CG 4.02Å
90	K	96.4	Very high	91.7	Very high	68 Å²	68	33.9 Å²	33.9	30%	0.296	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	159.5	168.6	73.8	175.3	-166.5	156.1	0	113	D71 V72 Y73 D103 V105	D71-K90 IonicContact OD2-NZ 2.77Å; D71-K90 PolarHBondContact OD2-NZ 2.83Å; V72-K90 CarbonylContact O-C 3.54Å; V72-K90 WeakPolarHBondContact O-CA 3.18Å; V72-K90 WeakPolarHBondContact O-CB 3.38Å; Y73-K90 HydrophobicContact CD1-CB 3.76Å; Y73-K90 HydrophobicContact CE1-CB 3.83Å; Y73-K90 HydrophobicContact CE1-CD 3.94Å; Y73-K90 HydrophobicContact CG-CB 4.42Å; K90-D103 PolarHBondContact N-O 2.89Å; K90-D103 PolarHBondContact O-N 2.96Å; K90-V105 HydrophobicContact CB-CG2 3.89Å; K90-V105 HydrophobicContact CD-CG2 3.67Å; K90-V105 HydrophobicContact CG-CG2 3.57Å
91	W	95.3	Very high	91.9	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	159.7	168.1	63.3	92.8	0	0	0	110.3	D71 V72 K101 V102 M488 L495	D71-W91 WeakPolarHBondContact CA-O 3.36Å; V72-W91 HydrophobicContact CB-CD2 4.4Å; V72-W91 HydrophobicContact CB-CZ2 3.95Å; V72-W91 HydrophobicContact CG1-CH2 3.66Å; V72-W91 HydrophobicContact CG1-CZ2 3.33Å; V72-W91 HydrophobicContact CG1-CZ3 4.39Å; V72-W91 PolarHBondContact N-O 2.73Å; V72-W91 PolarHBondContact O-N 2.67Å; W91-K101 VanDerWaalsContact CB-O 3.26Å; W91-K101 WeakPolarHBondContact CB-O 3.37Å; W91-V102 HydrophobicContact CE3-CG2 4.24Å; W91-M488 HydrophobicContact CH2-CE 3.63Å; W91-M488 HydrophobicContact CZ3-CE 3.73Å; W91-M488 HydrophobicContact CZ3-CG 4.32Å; W91-M488 HydrophobicContact CZ3-SD 4.27Å; W91-L495 HydrophobicContact CH2-CD1 3.73Å; W91-L495 HydrophobicContact CZ2-CD1 3.85Å
92	I	92.7	Very high	92.4	Very high	88 Å²	88	38.3 Å²	38.3	45%	0.451	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	127.7	172.4	-59.5	172.4	0	0	0	108.6	I69 E94	I69-I92 HydrophobicContact CB-CG2 3.88Å; I69-I92 HydrophobicContact CG2-CG2 3.59Å; I92-E94 HydrophobicContact CG2-CG 4.14Å; I92-E94 PolarHBondContact O-N 3.32Å
93	D	91.5	Very high	93	Very high	4 Å²	4	37 Å²	37	2%	0.021	18%	0.178	C	C	.	.			trans	-80.9	57.6	-176.6	-170.3	51.4	0	0	0	114	I69 P70 V72 R97 S497 E498 S499	I69-D93 VanDerWaalsContact CG2-C 3.45Å; I69-D93 HydrophobicContact CG2-CB 4.35Å; I69-D93 WeakPolarHBondContact CG2-O 3.42Å; P70-D93 PolarHBondContact O-N 3.4Å; P70-D93 VanDerWaalsContact O-N 3.16Å; V72-D93 HydrophobicContact CG2-CB 3.6Å; D93-R97 IonicContact OD1-CZ 3.17Å; D93-R97 IonicContact OD1-NE 2.76Å; D93-R97 PolarHBondContact OD1-NE 2.87Å; D93-R97 IonicContact OD1-NH2 2.75Å; D93-R97 PolarHBondContact OD1-NH2 3.22Å; D93-S497 PolarHBondContact O-OG 3.01Å; D93-S497 VanDerWaalsContact OD1-CA 3.3Å; D93-S497 WeakPolarHBondContact OD1-CA 3.47Å; D93-S497 VanDerWaalsContact OD1-CB 3.23Å; D93-S497 WeakPolarHBondContact OD1-CB 3.38Å; D93-S497 PolarHBondContact OD1-OG 3.32Å; D93-S497 WeakPolarHBondContact OD2-CA 3.36Å; D93-S497 WeakPolarHBondContact OD2-CB 3.45Å; D93-S497 PolarHBondContact OD2-OG 2.97Å; D93-E498 PolarHBondContact OD2-N 2.67Å; D93-S499 WeakPolarHBondContact O-CB 3.19Å; D93-S499 PolarHBondContact O-OG 2.98Å; D93-S499 WeakPolarHBondContact OD2-CB 3.39Å; D93-S499 PolarHBondContact OD2-N 2.88Å; D93-S499 PolarHBondContact OD2-OG 3.47Å
94	E	88.3	Confident	93.2	Very high	76 Å²	76	40.1 Å²	40.1	36%	0.355	19%	0.191	S	C	.	.			trans	-51.6	130.5	178.4	-71.4	-71.1	171.4	0	0	112.2	I69 I92 F96 R97	I69-E94 WeakPolarHBondContact CD1-OE2 3.2Å; I92-E94 HydrophobicContact CG2-CG 4.14Å; I92-E94 PolarHBondContact O-N 3.32Å; E94-F96 VanDerWaalsContact C-N 3.28Å; E94-F96 PolarHBondContact O-N 3.02Å; E94-F96 VanDerWaalsContact O-N 3.14Å; E94-R97 HydrophobicContact CB-CB 4.03Å; E94-R97 WeakPolarHBondContact O-CB 3.15Å; E94-R97 WeakPolarHBondContact O-CD 3.3Å; E94-R97 WeakPolarHBondContact O-CG 3.34Å; E94-R97 PolarHBondContact O-N 3.45Å; E94-R97 VanDerWaalsContact O-N 3.14Å
95	P	85	Confident	93.4	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.052	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.5	-167.3	17.4	-29.6	0	0	0	115.2	S497 P500 K501	P95-S497 WeakPolarHBondContact CA-OG 3.37Å; P95-P500 VanDerWaalsContact CB-O 3.28Å; P95-P500 WeakPolarHBondContact CB-O 3.46Å; P95-K501 HydrophobicContact CB-CD 3.76Å; P95-K501 VanDerWaalsContact O-CD 3.29Å; P95-K501 WeakPolarHBondContact O-CD 3.3Å; P95-K501 WeakPolarHBondContact O-CE 3.36Å; P95-K501 PolarHBondContact O-NZ 3.24Å
96	F	86.3	Confident	93.4	Very high	140 Å²	140	41.9 Å²	41.9	61%	0.614	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110	16.3	-177	-55	-74	0	0	0	112.6	E94 K501	E94-F96 VanDerWaalsContact C-N 3.28Å; E94-F96 PolarHBondContact O-N 3.02Å; E94-F96 VanDerWaalsContact O-N 3.14Å; F96-K501 HydrophobicContact CE1-CB 4.18Å; F96-K501 HydrophobicContact CE1-CD 4.45Å; F96-K501 HydrophobicContact CZ-CB 4.05Å
97	R	88.3	Confident	93.4	Very high	29 Å²	29	45.7 Å²	45.7	11%	0.109	23%	0.229	C	C	.	.			trans	-62.8	143.5	-179.3	70.7	-169.2	175.3	65.8	5.9	111.4	D93 E94 S492 L495	D93-R97 IonicContact OD1-CZ 3.17Å; D93-R97 IonicContact OD1-NE 2.76Å; D93-R97 PolarHBondContact OD1-NE 2.87Å; D93-R97 IonicContact OD1-NH2 2.75Å; D93-R97 PolarHBondContact OD1-NH2 3.22Å; E94-R97 HydrophobicContact CB-CB 4.03Å; E94-R97 WeakPolarHBondContact O-CB 3.15Å; E94-R97 WeakPolarHBondContact O-CD 3.3Å; E94-R97 WeakPolarHBondContact O-CG 3.34Å; E94-R97 PolarHBondContact O-N 3.45Å; E94-R97 VanDerWaalsContact O-N 3.14Å; R97-S492 PolarHBondContact NH1-O 3.36Å; R97-L495 PolarHBondContact NH2-O 2.93Å
98	S	91.1	Very high	93.3	Very high	53 Å²	53	46.4 Å²	46.4	37%	0.371	23%	0.232	S	C	.	.	S	Bend	trans	-87.5	-39	167.4	42.2	0	0	0	0	111.6	Y263 G493	S98-Y263 VanDerWaalsContact OG-CA 3.28Å; S98-Y263 WeakPolarHBondContact OG-CA 3.48Å; S98-G493 WeakPolarHBondContact O-CA 3.28Å
99	N	95.1	Very high	93.1	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.032	26%	0.257	C	S	.	.	S	Bend	trans	-139.2	156.2	171.3	-62	82.2	0	0	0	108.1	Y263 L489	N99-Y263 HydrophobicContact CB-CD1 3.95Å; N99-Y263 HydrophobicContact CB-CE1 3.75Å; N99-Y263 WeakPolarHBondContact O-CE1 3.24Å; N99-Y263 PolarHBondContact OD1-N 3.11Å; N99-L489 PolarHBondContact ND2-O 2.8Å
100	G	92.9	Very high	92.8	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.01	26%	0.259	C	S	.	.			trans	-77.5	141.8	172	0	0	0	0	0	111.8	V102 Y263 S492	G100-V102 VanDerWaalsContact C-N 3.32Å; G100-V102 WeakPolarHBondContact O-CG2 3.43Å; G100-V102 PolarHBondContact O-N 3.42Å; G100-Y263 PolarHBondContact O-OH 2.9Å; G100-S492 PolarHBondContact N-OG 3.16Å
101	K	93.7	Very high	92.4	Very high	134 Å²	134	53.5 Å²	53.5	58%	0.583	27%	0.274	S	S	*	.			trans	-75.7	86.7	167.8	-173.7	-174.7	173.4	-171.9	0	109.5	W91 D103 Y211 Y263	W91-K101 VanDerWaalsContact CB-O 3.26Å; W91-K101 WeakPolarHBondContact CB-O 3.37Å; K101-D103 PolarHBondContact O-N 2.83Å; K101-Y211 WeakPolarHBondContact CG-OH 3.23Å; K101-Y263 WeakPolarHBondContact CA-OH 3.37Å
102	V	95.2	Very high	92.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.			trans	-73.8	120.9	-172.4	-173.8	0	0	0	0	112.8	Y89 W91 G100 Y211 L485 M488 L489	Y89-V102 HydrophobicContact CD1-CG1 3.66Å; Y89-V102 HydrophobicContact CE1-CG1 4.49Å; Y89-V102 HydrophobicContact CG-CG1 3.72Å; W91-V102 HydrophobicContact CE3-CG2 4.24Å; G100-V102 VanDerWaalsContact C-N 3.32Å; G100-V102 WeakPolarHBondContact O-CG2 3.43Å; G100-V102 PolarHBondContact O-N 3.42Å; V102-Y211 PolarHBondContact N-OH 2.88Å; V102-Y211 VanDerWaalsContact N-OH 3.12Å; V102-Y211 WeakPolarHBondContact O-CE1 3.15Å; V102-Y211 PolarHBondContact O-OH 3.05Å; V102-L485 HydrophobicContact CB-CD1 4.15Å; V102-L485 HydrophobicContact CG1-CD1 3.78Å; V102-M488 HydrophobicContact CG1-CB 4.22Å; V102-M488 HydrophobicContact CG1-CG 3.9Å; V102-M488 HydrophobicContact CG2-CG 4.24Å; V102-L489 HydrophobicContact CG2-CB 4.33Å
103	D	93.8	Very high	91.8	Very high	60 Å²	60	51.6 Å²	51.6	32%	0.321	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.6	169.9	-77.2	-54.3	0	0	0	111.3	Y89 K90 K101 K479	Y89-D103 CarbonylContact C-O 3.57Å; Y89-D103 WeakPolarHBondContact CA-O 3.37Å; K90-D103 PolarHBondContact N-O 2.89Å; K90-D103 PolarHBondContact O-N 2.96Å; K101-D103 PolarHBondContact O-N 2.83Å; D103-K479 IonicContact OD1-NZ 3.68Å; D103-K479 PolarHBondContact OD1-NZ 2.86Å
104	E	94.9	Very high	91.7	Very high	81 Å²	81	51.5 Å²	51.5	38%	0.379	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	123.3	173.3	-169.9	173	-98.3	0	0	109.7	H87 Y89 N107	H87-E104 IonicContact CE1-OE1 3.69Å; H87-E104 IonicContact CG-OE1 2.69Å; H87-E104 IonicContact ND1-OE1 3.56Å; H87-E104 PolarHBondContact ND1-OE1 3.2Å; Y89-E104 HydrophobicContact CD1-CB 4Å; Y89-E104 HydrophobicContact CD1-CG 4.34Å; Y89-E104 HydrophobicContact CE1-CB 3.75Å; Y89-E104 HydrophobicContact CE1-CG 3.97Å; E104-N107 PolarHBondContact OE2-ND2 3.31Å
105	V	95.5	Very high	91.8	Very high	62 Å²	62	48.2 Å²	48.2	38%	0.376	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-51.6	175.1	-177.9	0	0	0	0	109.8	Y73 L88 K90	Y73-V105 HydrophobicContact CE1-CG2 4.31Å; L88-V105 HydrophobicContact CB-CB 4.35Å; L88-V105 HydrophobicContact CD2-CB 4.09Å; L88-V105 HydrophobicContact CD2-CG1 4.07Å; L88-V105 HydrophobicContact CD2-CG2 4.49Å; L88-V105 HydrophobicContact CG-CB 4.02Å; L88-V105 HydrophobicContact CG-CG2 4.22Å; L88-V105 WeakPolarHBondContact O-CB 3.38Å; L88-V105 PolarHBondContact O-N 2.89Å; K90-V105 HydrophobicContact CB-CG2 3.89Å; K90-V105 HydrophobicContact CD-CG2 3.67Å; K90-V105 HydrophobicContact CG-CG2 3.57Å
106	T	95.8	Very high	92	Very high	55 Å²	55	52.4 Å²	52.4	34%	0.337	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	164.9	-178.9	-174.5	0	0	0	0	109.9	L88 L135	L88-T106 HydrophobicContact CB-CG2 4.06Å; L88-T106 HydrophobicContact CD2-CG2 4.27Å; L88-T106 PolarHBondContact N-O 3.32Å; T106-L135 HydrophobicContact CG2-CD1 3.82Å; T106-L135 HydrophobicContact CG2-CG 4.29Å
107	N	95.7	Very high	92.3	Very high	80 Å²	80	46.9 Å²	46.9	43%	0.428	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.8	174.9	63.8	70.6	0	0	0	111.7	L86 E104	L86-N107 CarbonylContact O-C 3.55Å; L86-N107 WeakPolarHBondContact O-CA 3.5Å; L86-N107 WeakPolarHBondContact O-CB 3.28Å; E104-N107 PolarHBondContact OE2-ND2 3.31Å
108	E	96.1	Very high	92.4	Very high	24 Å²	24	46.2 Å²	46.2	11%	0.112	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.9	172.6	-81	-68.7	148.4	0	0	109.7	K85 L86 K131 K134 L135	K85-E108 CarbonylContact C-O 3.58Å; K85-E108 WeakPolarHBondContact CA-O 3.49Å; L86-E108 PolarHBondContact N-O 3.46Å; L86-E108 PolarHBondContact O-N 2.91Å; E108-K131 HydrophobicContact CB-CB 4.37Å; E108-K131 HydrophobicContact CB-CD 4.42Å; E108-K131 WeakPolarHBondContact OE2-CD 3.35Å; E108-K131 IonicContact OE2-NZ 3.75Å; E108-K131 PolarHBondContact OE2-NZ 2.89Å; E108-K134 VanDerWaalsContact OE1-CD 3.25Å; E108-K134 WeakPolarHBondContact OE1-CD 3.35Å; E108-K134 WeakPolarHBondContact OE1-CE 3.44Å; E108-K134 IonicContact OE1-NZ 2.68Å; E108-K134 PolarHBondContact OE1-NZ 3.15Å; E108-K134 IonicContact OE2-NZ 3.63Å; E108-L135 HydrophobicContact CB-CD1 4.13Å; E108-L135 HydrophobicContact CG-CB 4.13Å; E108-L135 HydrophobicContact CG-CD1 4.02Å
109	K	93.9	Very high	92.5	Very high	123 Å²	123	51.2 Å²	51.2	54%	0.535	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138	176	-172.4	-179.8	179.3	-175.3	0	110.8	S83 K131	S83-K109 VanDerWaalsContact OG-CE 3.27Å; S83-K109 WeakPolarHBondContact OG-CE 3.23Å; K109-K131 VanDerWaalsContact O-CE 3.23Å; K109-K131 WeakPolarHBondContact O-CE 3.28Å; K109-K131 PolarHBondContact O-NZ 3.46Å
110	L	90.5	Very high	92.4	Very high	9 Å²	9	54.6 Å²	54.6	5%	0.047	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.1	173.7	-176.3	69.6	0	0	0	109.7	S83 S84 T127 L128 K131	S83-L110 CarbonylContact C-O 3.05Å; S83-L110 VanDerWaalsContact CA-O 3.23Å; S83-L110 WeakPolarHBondContact CA-O 3.46Å; S83-L110 WeakPolarHBondContact CB-O 3.47Å; S84-L110 PolarHBondContact N-O 3.26Å; S84-L110 PolarHBondContact O-N 2.89Å; L110-T127 HydrophobicContact CD1-CG2 3.23Å; L110-T127 HydrophobicContact CD2-CG2 4.1Å; L110-T127 HydrophobicContact CG-CG2 4.06Å; L110-L128 HydrophobicContact CD2-CD1 4.47Å; L110-K131 HydrophobicContact CD1-CG 4.12Å
111	S	88.9	Confident	92.4	Very high	86 Å²	86	55.3 Å²	55.3	60%	0.601	29%	0.293	S	S	*	.	S	Bend	trans	-142.7	133.8	170.8	-170.7	0	0	0	0	108.5
112	P	88.4	Confident	92.5	Very high	53 Å²	53	52.8 Å²	52.8	34%	0.344	29%	0.285	S	S	.	.	S	Bend	cis	-67.9	171.8	0.2	29	-34.5	0	0	0	113.8	D116 Y117	P112-D116 HydrophobicContact CB-CB 3.83Å; P112-D116 VanDerWaalsContact CB-OD2 3.26Å; P112-D116 WeakPolarHBondContact CB-OD2 2.98Å; P112-D116 HydrophobicContact CG-CB 4.23Å; P112-Y117 WeakPolarHBondContact CD-OH 3.36Å; P112-Y117 HydrophobicContact CG-CE2 4.04Å; P112-Y117 WeakPolarHBondContact CG-OH 3.22Å
113	G	86.4	Confident	92.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.306	C	S	.	.			trans	-77.4	171.6	-179.8	0	0	0	0	0	111.9	S115 D116 Y117	G113-S115 PolarHBondContact O-N 3.38Å; G113-D116 PolarHBondContact N-OD2 3.5Å; G113-D116 PolarHBondContact O-N 2.97Å; G113-Y117 VanDerWaalsContact O-CD2 3.31Å; G113-Y117 WeakPolarHBondContact O-CD2 3.44Å; G113-Y117 WeakPolarHBondContact O-CE2 3.36Å
114	I	89.9	Confident	92.4	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-61.9	-26.6	179.7	67.1	167.2	0	0	0	113.4	A79 S84 D116 Y117 L151 A153 M157 L171 I175	A79-I114 HydrophobicContact CB-CD1 3.39Å; A79-I114 HydrophobicContact CB-CG1 3.63Å; S84-I114 PolarHBondContact OG-N 3.39Å; I114-D116 PolarHBondContact O-N 3.46Å; I114-Y117 PolarHBondContact O-N 3.45Å; I114-Y117 VanDerWaalsContact O-N 3.1Å; I114-L151 HydrophobicContact CD1-CD2 4.05Å; I114-A153 HydrophobicContact CD1-CB 4.18Å; I114-M157 HydrophobicContact CD1-CG 4.32Å; I114-M157 HydrophobicContact CG1-CG 4.27Å; I114-L171 WeakPolarHBondContact O-CD2 3.35Å; I114-I175 HydrophobicContact CB-CD1 4.49Å; I114-I175 HydrophobicContact CD1-CD1 3.92Å
115	S	89.8	Confident	92.3	Very high	8 Å²	8	51.5 Å²	51.5	6%	0.056	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-64.5	-18.7	179.5	48.8	0	0	0	0	114	G113 Y117 M157	G113-S115 PolarHBondContact O-N 3.38Å; S115-Y117 VanDerWaalsContact C-N 3.27Å; S115-M157 VanDerWaalsContact CA-SD 3.53Å
116	D	90.3	Very high	92.3	Very high	95 Å²	95	52.7 Å²	52.7	51%	0.508	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-81.3	-8.1	177.6	-61.1	-65.5	0	0	0	112.6	P112 G113 I114	P112-D116 HydrophobicContact CB-CB 3.83Å; P112-D116 VanDerWaalsContact CB-OD2 3.26Å; P112-D116 WeakPolarHBondContact CB-OD2 2.98Å; P112-D116 HydrophobicContact CG-CB 4.23Å; G113-D116 PolarHBondContact N-OD2 3.5Å; G113-D116 PolarHBondContact O-N 2.97Å; I114-D116 PolarHBondContact O-N 3.46Å
117	Y	92.5	Very high	92.2	Very high	24 Å²	24	51.8 Å²	51.8	9%	0.094	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-110.5	21.6	-176	-60.3	-76.8	0	0	0	113.7	P112 G113 I114 S115 N119 D120 T121 K123 A124 T127	P112-Y117 WeakPolarHBondContact CD-OH 3.36Å; P112-Y117 HydrophobicContact CG-CE2 4.04Å; P112-Y117 WeakPolarHBondContact CG-OH 3.22Å; G113-Y117 VanDerWaalsContact O-CD2 3.31Å; G113-Y117 WeakPolarHBondContact O-CD2 3.44Å; G113-Y117 WeakPolarHBondContact O-CE2 3.36Å; I114-Y117 PolarHBondContact O-N 3.45Å; I114-Y117 VanDerWaalsContact O-N 3.1Å; S115-Y117 VanDerWaalsContact C-N 3.27Å; Y117-N119 PolarHBondContact O-N 2.8Å; Y117-D120 CarbonylContact O-C 3.47Å; Y117-D120 PolarHBondContact O-N 2.91Å; Y117-D120 VanDerWaalsContact O-O 3.1Å; Y117-T121 PolarHBondContact O-N 3Å; Y117-K123 HydrophobicContact CD1-CB 4.11Å; Y117-K123 HydrophobicContact CD1-CD 3.94Å; Y117-K123 HydrophobicContact CD1-CG 3.83Å; Y117-K123 HydrophobicContact CE1-CD 3.83Å; Y117-K123 HydrophobicContact CE1-CG 3.77Å; Y117-A124 HydrophobicContact CD2-CB 4.32Å; Y117-A124 HydrophobicContact CG-CB 4.14Å; Y117-T127 HydrophobicContact CE2-CG2 4.48Å
118	I	90.7	Very high	92.1	Very high	15 Å²	15	48 Å²	48	8%	0.077	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.9	179.8	-75.8	178.8	0	0	0	112.9	D120 T121 M157 K160 L171	I118-D120 VanDerWaalsContact C-N 3.29Å; I118-T121 WeakPolarHBondContact O-CG2 3.37Å; I118-M157 HydrophobicContact CD1-CE 4.08Å; I118-M157 HydrophobicContact CD1-SD 4.04Å; I118-M157 HydrophobicContact CG1-SD 4.45Å; I118-K160 HydrophobicContact CD1-CB 3.14Å; I118-K160 HydrophobicContact CD1-CD 3.76Å; I118-K160 HydrophobicContact CD1-CG 3.32Å; I118-L171 HydrophobicContact CG1-CD2 3.84Å
119	N	91.5	Very high	92.1	Very high	159 Å²	159	51.6 Å²	51.6	85%	0.85	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.8	176.6	-62.4	-26.5	0	0	0	113.1	Y117	Y117-N119 PolarHBondContact O-N 2.8Å
120	D	93.8	Very high	92.2	Very high	77 Å²	77	49.4 Å²	49.4	41%	0.412	27%	0.268	S	S	.	.			trans	-149.1	70.7	-178.9	-172.1	-7.2	0	0	0	109.3	Y117 I118 I122 K123 A124	Y117-D120 CarbonylContact O-C 3.47Å; Y117-D120 PolarHBondContact O-N 2.91Å; Y117-D120 VanDerWaalsContact O-O 3.1Å; I118-D120 VanDerWaalsContact C-N 3.29Å; D120-I122 VanDerWaalsContact C-N 3.29Å; D120-I122 PolarHBondContact O-N 3.38Å; D120-K123 HydrophobicContact CB-CB 4.15Å; D120-K123 WeakPolarHBondContact O-CB 3.34Å; D120-K123 PolarHBondContact O-N 3.45Å; D120-K123 VanDerWaalsContact O-N 3.15Å; D120-K123 WeakPolarHBondContact OD1-CB 3.44Å; D120-K123 PolarHBondContact OD1-N 2.9Å; D120-K123 WeakPolarHBondContact OD2-CB 3.13Å; D120-K123 WeakPolarHBondContact OD2-CD 3.41Å; D120-A124 PolarHBondContact O-N 3.04Å
121	T	93.6	Very high	92.5	Very high	16 Å²	16	52 Å²	52	10%	0.098	28%	0.278	C	S	.	.	H	α-helix	trans	-66.7	-29.2	-166.9	53.3	0	0	0	0	113.1	Y117 I118 A124 D170 L171 V174	Y117-T121 PolarHBondContact O-N 3Å; I118-T121 WeakPolarHBondContact O-CG2 3.37Å; T121-A124 VanDerWaalsContact O-CB 3.26Å; T121-A124 WeakPolarHBondContact O-CB 3.48Å; T121-A124 PolarHBondContact O-N 3.26Å; T121-D170 HydrophobicContact CG2-CB 4.45Å; T121-D170 VanDerWaalsContact CG2-OD2 3.28Å; T121-D170 WeakPolarHBondContact CG2-OD2 3.24Å; T121-D170 PolarHBondContact OG1-OD2 3.44Å; T121-D170 VanDerWaalsContact OG1-OD2 3.07Å; T121-L171 HydrophobicContact CG2-CB 3.87Å; T121-L171 HydrophobicContact CG2-CD1 3.98Å; T121-V174 WeakPolarHBondContact O-CG1 3.45Å
122	I	94.3	Very high	92.9	Very high	80 Å²	80	48.1 Å²	48.1	41%	0.41	25%	0.251	S	S	.	.	H	α-helix	trans	-66	-44.8	174.4	-62.5	175.5	0	0	0	110.2	D120 A124 Y125 D126 V174 Y178	D120-I122 VanDerWaalsContact C-N 3.29Å; D120-I122 PolarHBondContact O-N 3.38Å; I122-A124 PolarHBondContact O-N 3.19Å; I122-A124 VanDerWaalsContact O-N 3.16Å; I122-Y125 PolarHBondContact O-N 3.5Å; I122-D126 PolarHBondContact O-N 3.22Å; I122-V174 HydrophobicContact CG1-CG1 4.47Å; I122-Y178 HydrophobicContact CG1-CE2 4.43Å
123	K	94.9	Very high	93.2	Very high	101 Å²	101	50 Å²	50	44%	0.439	26%	0.258	S	S	.	.	H	α-helix	trans	-60.3	-27.7	178.5	-172.7	175.3	-177.8	-178.6	0	112.9	Y117 D120 Y125 D126 T127	Y117-K123 HydrophobicContact CD1-CB 4.11Å; Y117-K123 HydrophobicContact CD1-CD 3.94Å; Y117-K123 HydrophobicContact CD1-CG 3.83Å; Y117-K123 HydrophobicContact CE1-CD 3.83Å; Y117-K123 HydrophobicContact CE1-CG 3.77Å; D120-K123 HydrophobicContact CB-CB 4.15Å; D120-K123 WeakPolarHBondContact O-CB 3.34Å; D120-K123 PolarHBondContact O-N 3.45Å; D120-K123 VanDerWaalsContact O-N 3.15Å; D120-K123 WeakPolarHBondContact OD1-CB 3.44Å; D120-K123 PolarHBondContact OD1-N 2.9Å; D120-K123 WeakPolarHBondContact OD2-CB 3.13Å; D120-K123 WeakPolarHBondContact OD2-CD 3.41Å; K123-Y125 VanDerWaalsContact C-N 3.35Å; K123-Y125 PolarHBondContact O-N 3.48Å; K123-D126 PolarHBondContact O-N 2.9Å; K123-T127 VanDerWaalsContact O-CB 3.3Å; K123-T127 WeakPolarHBondContact O-CB 3.39Å; K123-T127 PolarHBondContact O-N 3.49Å; K123-T127 PolarHBondContact O-OG1 3.35Å
124	A	92.6	Very high	93.8	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-57.4	-47.7	173.3	0	0	0	0	0	111.7	Y117 D120 T121 I122 L128 L171	Y117-A124 HydrophobicContact CD2-CB 4.32Å; Y117-A124 HydrophobicContact CG-CB 4.14Å; D120-A124 PolarHBondContact O-N 3.04Å; T121-A124 VanDerWaalsContact O-CB 3.26Å; T121-A124 WeakPolarHBondContact O-CB 3.48Å; T121-A124 PolarHBondContact O-N 3.26Å; I122-A124 PolarHBondContact O-N 3.19Å; I122-A124 VanDerWaalsContact O-N 3.16Å; A124-L128 PolarHBondContact O-N 3.45Å; A124-L171 HydrophobicContact CB-CD1 3.45Å; A124-L171 VanDerWaalsContact CB-CD1 3.45Å
125	Y	94.1	Very high	94.1	Very high	12 Å²	12	55.6 Å²	55.6	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-72.9	-41	177.7	179.5	-98.4	0	0	0	112.2	I122 K123 T127 L128 K129 Y178 L179	I122-Y125 PolarHBondContact O-N 3.5Å; K123-Y125 VanDerWaalsContact C-N 3.35Å; K123-Y125 PolarHBondContact O-N 3.48Å; Y125-T127 PolarHBondContact O-N 3.3Å; Y125-L128 HydrophobicContact CD2-CD2 4.46Å; Y125-L128 WeakPolarHBondContact O-CA 3.2Å; Y125-L128 WeakPolarHBondContact O-CB 3.44Å; Y125-L128 PolarHBondContact O-N 3.42Å; Y125-K129 HydrophobicContact CD1-CB 4.46Å; Y125-K129 HydrophobicContact CE1-CB 4.03Å; Y125-K129 HydrophobicContact CE1-CD 3.91Å; Y125-K129 HydrophobicContact CE1-CG 4.33Å; Y125-K129 WeakPolarHBondContact O-CB 3.23Å; Y125-K129 PolarHBondContact O-N 3.38Å; Y125-Y178 VanDerWaalsContact CD1-CB 3.48Å; Y125-Y178 AromaticContact CD1-CD1 3.8Å; Y125-Y178 HydrophobicContact CD1-CD1 3.8Å; Y125-Y178 HydrophobicContact CD1-CD2 4.27Å; Y125-Y178 AromaticContact CD1-CG 3.61Å; Y125-Y178 HydrophobicContact CD1-CG 3.61Å; Y125-Y178 HydrophobicContact CD2-CG 4.33Å; Y125-Y178 AromaticContact CE1-CD1 3.89Å; Y125-Y178 HydrophobicContact CE1-CD1 3.89Å; Y125-Y178 AromaticContact CE1-CG 4Å; Y125-Y178 HydrophobicContact CE1-CG 4Å; Y125-Y178 HydrophobicContact CG-CD1 4.43Å; Y125-Y178 HydrophobicContact CG-CD2 4.21Å; Y125-Y178 AromaticContact CG-CG 3.79Å; Y125-Y178 HydrophobicContact CG-CG 3.79Å; Y125-Y178 PolarHBondContact OH-O 2.9Å; Y125-L179 HydrophobicContact CD2-CD2 4.43Å; Y125-L179 HydrophobicContact CD2-CG 4.37Å; Y125-L179 HydrophobicContact CE2-CD2 3.88Å; Y125-L179 HydrophobicContact CE2-CG 4.12Å
126	D	94.6	Very high	94.5	Very high	87 Å²	87	55.2 Å²	55.2	47%	0.465	28%	0.28	S	S	.	.	H	α-helix	trans	-60.3	-32.3	178.2	-75.3	-21.9	0	0	0	112.3	I122 K123 P130	I122-D126 PolarHBondContact O-N 3.22Å; K123-D126 PolarHBondContact O-N 2.9Å; D126-P130 WeakPolarHBondContact O-CD 3.36Å
127	T	93.5	Very high	94.8	Very high	36 Å²	36	56.5 Å²	56.5	22%	0.221	29%	0.287	C	S	.	.	H	α-helix	trans	-75.1	-34.8	175.1	-51.9	0	0	0	0	111.4	L110 Y117 K123 Y125	L110-T127 HydrophobicContact CD1-CG2 3.23Å; L110-T127 HydrophobicContact CD2-CG2 4.1Å; L110-T127 HydrophobicContact CG-CG2 4.06Å; Y117-T127 HydrophobicContact CE2-CG2 4.48Å; K123-T127 VanDerWaalsContact O-CB 3.3Å; K123-T127 WeakPolarHBondContact O-CB 3.39Å; K123-T127 PolarHBondContact O-N 3.49Å; K123-T127 PolarHBondContact O-OG1 3.35Å; Y125-T127 PolarHBondContact O-N 3.3Å
128	L	94.6	Very high	94.9	Very high	1 Å²	1	59 Å²	59	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-71.8	-40.8	178.4	-174.5	70.6	0	0	0	112.9	I77 L86 L110 A124 Y125 K131 L132 L179	I77-L128 HydrophobicContact CD1-CD1 4.08Å; I77-L128 HydrophobicContact CD1-CD2 3.82Å; I77-L128 HydrophobicContact CD1-CG 4.37Å; I77-L128 HydrophobicContact CG2-CD1 4.16Å; L86-L128 HydrophobicContact CD1-CD1 3.79Å; L86-L128 HydrophobicContact CD2-CD1 3.74Å; L86-L128 HydrophobicContact CD2-CG 4.47Å; L86-L128 HydrophobicContact CG-CD1 3.97Å; L110-L128 HydrophobicContact CD2-CD1 4.47Å; A124-L128 PolarHBondContact O-N 3.45Å; Y125-L128 HydrophobicContact CD2-CD2 4.46Å; Y125-L128 WeakPolarHBondContact O-CA 3.2Å; Y125-L128 WeakPolarHBondContact O-CB 3.44Å; Y125-L128 PolarHBondContact O-N 3.42Å; L128-K131 WeakPolarHBondContact O-CB 3.3Å; L128-K131 PolarHBondContact O-N 2.87Å; L128-K131 VanDerWaalsContact O-N 3.11Å; L128-L132 PolarHBondContact O-N 3.22Å; L128-L179 HydrophobicContact CD2-CD2 4.09Å
129	K	95.5	Very high	95.2	Very high	99 Å²	99	58.8 Å²	58.8	43%	0.43	31%	0.307	S	S	.	.	H	α-helix	trans	-57	-48.5	-170	177	-176	-174.1	177.7	0	113.8	Y125 K131 L132 L133	Y125-K129 HydrophobicContact CD1-CB 4.46Å; Y125-K129 HydrophobicContact CE1-CB 4.03Å; Y125-K129 HydrophobicContact CE1-CD 3.91Å; Y125-K129 HydrophobicContact CE1-CG 4.33Å; Y125-K129 WeakPolarHBondContact O-CB 3.23Å; Y125-K129 PolarHBondContact O-N 3.38Å; K129-K131 VanDerWaalsContact C-N 3.26Å; K129-K131 PolarHBondContact O-N 3.31Å; K129-L132 PolarHBondContact O-N 3.1Å; K129-L133 HydrophobicContact CG-CD1 4.13Å; K129-L133 HydrophobicContact CG-CG 4.46Å; K129-L133 WeakPolarHBondContact O-CG 3.31Å; K129-L133 PolarHBondContact O-N 3.03Å
130	P	96.1	Very high	95.4	Very high	78 Å²	78	54.9 Å²	54.9	51%	0.506	29%	0.289	S	S	.	.	H	α-helix	trans	-60	-36.9	177.4	-24.4	33.8	0	0	0	112.8	D126 K134	D126-P130 WeakPolarHBondContact O-CD 3.36Å; P130-K134 WeakPolarHBondContact O-CB 3.24Å; P130-K134 PolarHBondContact O-N 3.21Å
131	K	96.5	Very high	95.4	Very high	62 Å²	62	58.3 Å²	58.3	27%	0.27	30%	0.3	S	S	.	.	H	α-helix	trans	-68.6	-43.3	176.8	-65.8	-55.2	-160.1	164.9	0	111.8	L86 E108 K109 L110 L128 K129 K134 L135	L86-K131 HydrophobicContact CD1-CB 4.43Å; L86-K131 HydrophobicContact CD2-CB 4.04Å; E108-K131 HydrophobicContact CB-CB 4.37Å; E108-K131 HydrophobicContact CB-CD 4.42Å; E108-K131 WeakPolarHBondContact OE2-CD 3.35Å; E108-K131 IonicContact OE2-NZ 3.75Å; E108-K131 PolarHBondContact OE2-NZ 2.89Å; K109-K131 VanDerWaalsContact O-CE 3.23Å; K109-K131 WeakPolarHBondContact O-CE 3.28Å; K109-K131 PolarHBondContact O-NZ 3.46Å; L110-K131 HydrophobicContact CD1-CG 4.12Å; L128-K131 WeakPolarHBondContact O-CB 3.3Å; L128-K131 PolarHBondContact O-N 2.87Å; L128-K131 VanDerWaalsContact O-N 3.11Å; K129-K131 VanDerWaalsContact C-N 3.26Å; K129-K131 PolarHBondContact O-N 3.31Å; K131-K134 PolarHBondContact O-N 3.33Å; K131-L135 VanDerWaalsContact O-CB 3.28Å; K131-L135 WeakPolarHBondContact O-CB 3.29Å; K131-L135 PolarHBondContact O-N 2.81Å
132	L	96.7	Very high	95.4	Very high	5 Å²	5	63.9 Å²	63.9	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-62.2	-42.8	176.2	-179.7	59.9	0	0	0	112	V75 L86 L128 K129 L135 T136 I149 L179 F184	V75-L132 HydrophobicContact CG1-CD1 3.92Å; V75-L132 HydrophobicContact CG2-CD1 4.45Å; L86-L132 HydrophobicContact CD2-CB 4Å; L86-L132 HydrophobicContact CD2-CD1 4.42Å; L128-L132 PolarHBondContact O-N 3.22Å; K129-L132 PolarHBondContact O-N 3.1Å; L132-L135 PolarHBondContact O-N 3.33Å; L132-T136 HydrophobicContact CD1-CG2 4.24Å; L132-T136 PolarHBondContact O-N 2.97Å; L132-T136 VanDerWaalsContact O-N 3.16Å; L132-T136 PolarHBondContact O-OG1 2.96Å; L132-I149 HydrophobicContact CD1-CD1 3.8Å; L132-I149 HydrophobicContact CD2-CD1 3.86Å; L132-L179 HydrophobicContact CD2-CD2 4.05Å; L132-F184 HydrophobicContact CD1-CE2 3.99Å; L132-F184 HydrophobicContact CD1-CZ 4.3Å; L132-F184 HydrophobicContact CD2-CD2 4.18Å; L132-F184 HydrophobicContact CD2-CE2 3.95Å; L132-F184 HydrophobicContact CG-CE2 3.93Å
133	L	96.3	Very high	95.4	Very high	94 Å²	94	63.2 Å²	63.2	49%	0.492	32%	0.32	S	S	.	.	H	α-helix	trans	-64.6	-42.8	176.9	-70.1	175	0	0	0	112.1	K129 T136 N137	K129-L133 HydrophobicContact CG-CD1 4.13Å; K129-L133 HydrophobicContact CG-CG 4.46Å; K129-L133 WeakPolarHBondContact O-CG 3.31Å; K129-L133 PolarHBondContact O-N 3.03Å; L133-T136 PolarHBondContact O-N 3.38Å; L133-N137 PolarHBondContact O-N 3.36Å; L133-N137 VanDerWaalsContact O-N 3.15Å
134	K	97.3	Very high	95.5	Very high	116 Å²	116	60.4 Å²	60.4	50%	0.504	31%	0.308	S	S	.	.	H	α-helix	trans	-64	-44.8	176.3	-175.8	-179.8	174.8	-145.7	0	111.8	E108 P130 K131 T136 N137	E108-K134 VanDerWaalsContact OE1-CD 3.25Å; E108-K134 WeakPolarHBondContact OE1-CD 3.35Å; E108-K134 WeakPolarHBondContact OE1-CE 3.44Å; E108-K134 IonicContact OE1-NZ 2.68Å; E108-K134 PolarHBondContact OE1-NZ 3.15Å; E108-K134 IonicContact OE2-NZ 3.63Å; P130-K134 WeakPolarHBondContact O-CB 3.24Å; P130-K134 PolarHBondContact O-N 3.21Å; K131-K134 PolarHBondContact O-N 3.33Å; K134-T136 PolarHBondContact O-N 3.42Å; K134-N137 PolarHBondContact O-N 3.32Å; K134-N137 PolarHBondContact O-OD1 3.08Å
135	L	97.4	Very high	95.6	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-59	-35.5	179.3	-174.2	83.1	0	0	0	112.3	V75 L86 L88 T106 E108 K131 L132	V75-L135 HydrophobicContact CG1-CD2 4.14Å; L86-L135 HydrophobicContact CB-CD2 3.76Å; L88-L135 HydrophobicContact CB-CD1 4.34Å; L88-L135 HydrophobicContact CB-CD2 4.14Å; L88-L135 HydrophobicContact CB-CG 3.98Å; T106-L135 HydrophobicContact CG2-CD1 3.82Å; T106-L135 HydrophobicContact CG2-CG 4.29Å; E108-L135 HydrophobicContact CB-CD1 4.13Å; E108-L135 HydrophobicContact CG-CB 4.13Å; E108-L135 HydrophobicContact CG-CD1 4.02Å; K131-L135 VanDerWaalsContact O-CB 3.28Å; K131-L135 WeakPolarHBondContact O-CB 3.29Å; K131-L135 PolarHBondContact O-N 2.81Å; L132-L135 PolarHBondContact O-N 3.33Å
136	T	97.1	Very high	95.5	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	20.8	-171.3	62.8	0	0	0	0	113	V75 L132 L133 K134 S138 L139 K144 F184	V75-T136 HydrophobicContact CG2-CG2 3.92Å; L132-T136 HydrophobicContact CD1-CG2 4.24Å; L132-T136 PolarHBondContact O-N 2.97Å; L132-T136 VanDerWaalsContact O-N 3.16Å; L132-T136 PolarHBondContact O-OG1 2.96Å; L133-T136 PolarHBondContact O-N 3.38Å; K134-T136 PolarHBondContact O-N 3.42Å; T136-S138 PolarHBondContact O-N 2.99Å; T136-L139 HydrophobicContact CG2-CD1 4.33Å; T136-L139 PolarHBondContact O-N 3.43Å; T136-K144 WeakPolarHBondContact O-CE 3.31Å; T136-K144 PolarHBondContact O-NZ 3.38Å; T136-K144 VanDerWaalsContact O-NZ 3.08Å; T136-F184 HydrophobicContact CG2-CE1 3.99Å; T136-F184 HydrophobicContact CG2-CZ 3.55Å
137	N	96.5	Very high	95.6	Very high	123 Å²	123	65.3 Å²	65.3	66%	0.658	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.9	179.7	67.5	-6.5	0	0	0	113.1	L133 K134 L139	L133-N137 PolarHBondContact O-N 3.36Å; L133-N137 VanDerWaalsContact O-N 3.15Å; K134-N137 PolarHBondContact O-N 3.32Å; K134-N137 PolarHBondContact O-OD1 3.08Å; N137-L139 VanDerWaalsContact C-N 3.31Å
138	S	95.6	Very high	95.7	Very high	76 Å²	76	63.7 Å²	63.7	53%	0.531	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-11.5	178.1	62.8	0	0	0	0	113.7	T136	T136-S138 PolarHBondContact O-N 2.99Å
139	L	96.4	Very high	95.8	Very high	11 Å²	11	63.7 Å²	63.7	6%	0.058	32%	0.318	C	S	.	.	S	Bend	trans	-93.2	138.3	-177.8	-56.8	-177.1	0	0	0	111.2	Y73 L88 T136 N137 Q143 K144	Y73-L139 HydrophobicContact CD1-CD2 3.69Å; Y73-L139 HydrophobicContact CD2-CD2 4.04Å; Y73-L139 HydrophobicContact CE1-CD2 3.72Å; Y73-L139 HydrophobicContact CE2-CD2 4.1Å; Y73-L139 HydrophobicContact CG-CD1 4.5Å; Y73-L139 HydrophobicContact CG-CD2 3.85Å; L88-L139 HydrophobicContact CD1-CD1 4.03Å; L88-L139 HydrophobicContact CD2-CD1 4.41Å; L88-L139 HydrophobicContact CD2-CD2 4.5Å; L88-L139 HydrophobicContact CD2-CG 4.43Å; T136-L139 HydrophobicContact CG2-CD1 4.33Å; T136-L139 PolarHBondContact O-N 3.43Å; N137-L139 VanDerWaalsContact C-N 3.31Å; L139-Q143 HydrophobicContact CB-CB 4.19Å; L139-K144 HydrophobicContact CB-CG 3.91Å; L139-K144 HydrophobicContact CD1-CG 4.41Å; L139-K144 WeakPolarHBondContact O-CE 3.11Å
140	T	95.8	Very high	95.9	Very high	77 Å²	77	59.1 Å²	59.1	47%	0.472	30%	0.298	S	S	.	.			trans	-68.7	166.3	170.5	70.9	0	0	0	0	111.3	E142 Q143 K144	T140-E142 VanDerWaalsContact C-N 3.34Å; T140-E142 PolarHBondContact O-N 2.82Å; T140-Q143 PolarHBondContact O-N 3.47Å; T140-Q143 WeakPolarHBondContact OG1-CG 3.3Å; T140-Q143 PolarHBondContact OG1-N 3.44Å; T140-Q143 PolarHBondContact OG1-OE1 3.48Å; T140-K144 WeakPolarHBondContact O-CG 3.35Å; T140-K144 PolarHBondContact O-N 3.24Å
141	F	94.2	Very high	95.9	Very high	149 Å²	149	55.4 Å²	55.4	65%	0.654	27%	0.274	S	S	*	.	H	α-helix	trans	-57.8	-46.3	175.4	178.2	-97.4	0	0	0	112.1	Q143 K144 Q145	F141-Q143 PolarHBondContact O-N 3.16Å; F141-K144 PolarHBondContact O-N 2.91Å; F141-Q145 HydrophobicContact CD1-CG 4.44Å; F141-Q145 HydrophobicContact CE1-CG 4.06Å; F141-Q145 VanDerWaalsContact CE1-NE2 3.3Å; F141-Q145 HydrophobicContact CZ-CG 4.2Å; F141-Q145 PolarHBondContact O-N 3.23Å; F141-Q145 VanDerWaalsContact O-N 3.1Å
142	E	93.6	Very high	95.9	Very high	132 Å²	132	52.6 Å²	52.6	62%	0.617	26%	0.262	S	S	*	.	H	α-helix	trans	-63	-41.4	178.3	-175.9	179	-172.1	0	0	112.2	T140 K144 Q145 H146	T140-E142 VanDerWaalsContact C-N 3.34Å; T140-E142 PolarHBondContact O-N 2.82Å; E142-K144 VanDerWaalsContact C-N 3.33Å; E142-K144 PolarHBondContact O-N 2.87Å; E142-Q145 PolarHBondContact O-N 2.66Å; E142-H146 PolarHBondContact O-N 3.06Å; E142-H146 PolarHBondContact O-ND1 3.25Å
143	Q	95.1	Very high	95.9	Very high	66 Å²	66	52.3 Å²	52.3	31%	0.308	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-41.8	174.8	-75.7	174.3	-37.8	0	0	111.5	L139 T140 F141 Q145 H146 T147	L139-Q143 HydrophobicContact CB-CB 4.19Å; T140-Q143 PolarHBondContact O-N 3.47Å; T140-Q143 WeakPolarHBondContact OG1-CG 3.3Å; T140-Q143 PolarHBondContact OG1-N 3.44Å; T140-Q143 PolarHBondContact OG1-OE1 3.48Å; F141-Q143 PolarHBondContact O-N 3.16Å; Q143-Q145 VanDerWaalsContact C-N 3.35Å; Q143-Q145 PolarHBondContact O-N 2.86Å; Q143-H146 CarbonylContact O-C 3.56Å; Q143-H146 PolarHBondContact O-N 2.87Å; Q143-T147 WeakPolarHBondContact O-CB 3.41Å; Q143-T147 PolarHBondContact O-N 3.42Å; Q143-T147 PolarHBondContact O-OG1 2.95Å
144	K	95.7	Very high	95.9	Very high	42 Å²	42	48.1 Å²	48.1	18%	0.183	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-42.5	177.5	-71	176.7	-174.7	-175.1	0	111.8	T136 L139 T140 F141 E142 H146 T147 G183 F184	T136-K144 WeakPolarHBondContact O-CE 3.31Å; T136-K144 PolarHBondContact O-NZ 3.38Å; T136-K144 VanDerWaalsContact O-NZ 3.08Å; L139-K144 HydrophobicContact CB-CG 3.91Å; L139-K144 HydrophobicContact CD1-CG 4.41Å; L139-K144 WeakPolarHBondContact O-CE 3.11Å; T140-K144 WeakPolarHBondContact O-CG 3.35Å; T140-K144 PolarHBondContact O-N 3.24Å; F141-K144 PolarHBondContact O-N 2.91Å; E142-K144 VanDerWaalsContact C-N 3.33Å; E142-K144 PolarHBondContact O-N 2.87Å; K144-H146 PolarHBondContact O-N 3Å; K144-T147 WeakPolarHBondContact O-CB 3.42Å; K144-T147 PolarHBondContact O-N 3.28Å; K144-G183 CarbonylContact C-O 3.31Å; K144-G183 VanDerWaalsContact C-O 3.31Å; K144-F184 HydrophobicContact CB-CD1 4.43Å; K144-F184 HydrophobicContact CB-CE1 4.12Å; K144-F184 HydrophobicContact CB-CZ 4.42Å; K144-F184 HydrophobicContact CD-CZ 4.18Å; K144-F184 HydrophobicContact CG-CE1 3.91Å; K144-F184 HydrophobicContact CG-CZ 3.97Å; K144-F184 WeakPolarHBondContact O-CA 3.27Å
145	Q	94.3	Very high	95.8	Very high	100 Å²	100	42.7 Å²	42.7	47%	0.467	22%	0.216	S	C	.	.	H	α-helix	trans	-59.7	-29.6	178.5	-71.3	-175.4	-51.4	0	0	113.4	F141 E142 Q143 G183 Q185	F141-Q145 HydrophobicContact CD1-CG 4.44Å; F141-Q145 HydrophobicContact CE1-CG 4.06Å; F141-Q145 VanDerWaalsContact CE1-NE2 3.3Å; F141-Q145 HydrophobicContact CZ-CG 4.2Å; F141-Q145 PolarHBondContact O-N 3.23Å; F141-Q145 VanDerWaalsContact O-N 3.1Å; E142-Q145 PolarHBondContact O-N 2.66Å; Q143-Q145 VanDerWaalsContact C-N 3.35Å; Q143-Q145 PolarHBondContact O-N 2.86Å; Q145-G183 WeakPolarHBondContact CA-O 3.39Å; Q145-G183 PolarHBondContact N-O 3.16Å; Q145-Q185 WeakPolarHBondContact O-CB 2.99Å
146	H	93.1	Very high	95.6	Very high	102 Å²	102	43 Å²	43	47%	0.472	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	3.4	176.7	-61.1	91.9	0	0	0	113.6	E142 Q143 K144 P148	E142-H146 PolarHBondContact O-N 3.06Å; E142-H146 PolarHBondContact O-ND1 3.25Å; Q143-H146 CarbonylContact O-C 3.56Å; Q143-H146 PolarHBondContact O-N 2.87Å; K144-H146 PolarHBondContact O-N 3Å; H146-P148 WeakPolarHBondContact O-CD 3.3Å
147	T	95.9	Very high	95.5	Very high	1 Å²	1	43 Å²	43	1%	0.006	22%	0.22	C	C	.	.			trans	-92.3	110.2	179.7	-65.7	0	0	0	0	108.9	V75 Q143 K144 F184 Q185	V75-T147 HydrophobicContact CG2-CG2 4.04Å; Q143-T147 WeakPolarHBondContact O-CB 3.41Å; Q143-T147 PolarHBondContact O-N 3.42Å; Q143-T147 PolarHBondContact O-OG1 2.95Å; K144-T147 WeakPolarHBondContact O-CB 3.42Å; K144-T147 PolarHBondContact O-N 3.28Å; T147-F184 HydrophobicContact CG2-CD1 3.72Å; T147-F184 HydrophobicContact CG2-CE1 3.87Å; T147-Q185 PolarHBondContact O-N 2.55Å
148	P	95.9	Very high	95.5	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.019	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-64.1	143.5	171.5	26.8	-36.6	0	0	0	111.5	Y73 S74 V75 H146 Y150 Q185 L495	Y73-P148 WeakPolarHBondContact O-CD 3.48Å; S74-P148 WeakPolarHBondContact CA-O 3.13Å; S74-P148 PolarHBondContact OG-O 2.99Å; V75-P148 PolarHBondContact N-O 3.33Å; H146-P148 WeakPolarHBondContact O-CD 3.3Å; P148-Y150 HydrophobicContact CB-CE2 3.71Å; P148-Y150 HydrophobicContact CG-CE2 4.07Å; P148-Q185 WeakPolarHBondContact CA-O 3.41Å; P148-L495 HydrophobicContact CG-CD1 4.03Å
149	I	96.8	Very high	95.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.2	174.2	-175.9	159.3	0	0	0	110.6	V75 I77 L132 L179 F184 Q185 I186	V75-I149 HydrophobicContact CB-CB 4.18Å; V75-I149 HydrophobicContact CB-CD1 4.08Å; V75-I149 HydrophobicContact CB-CG1 3.89Å; V75-I149 HydrophobicContact CG1-CD1 3.8Å; V75-I149 HydrophobicContact CG1-CG1 3.88Å; V75-I149 CarbonylContact O-C 3.6Å; V75-I149 WeakPolarHBondContact O-CA 3.36Å; I77-I149 HydrophobicContact CD1-CD1 4.03Å; I77-I149 HydrophobicContact CD1-CG1 4.29Å; L132-I149 HydrophobicContact CD1-CD1 3.8Å; L132-I149 HydrophobicContact CD2-CD1 3.86Å; I149-L179 HydrophobicContact CD1-CD2 3.9Å; I149-F184 HydrophobicContact CB-CB 4.04Å; I149-F184 HydrophobicContact CB-CG 4.41Å; I149-F184 HydrophobicContact CD1-CD2 4.36Å; I149-F184 HydrophobicContact CD1-CG 4.47Å; I149-F184 HydrophobicContact CG2-CB 3.61Å; I149-F184 HydrophobicContact CG2-CG 4.41Å; I149-Q185 PolarHBondContact N-O 3.47Å; I149-I186 HydrophobicContact CG2-CD1 3.46Å; I149-I186 VanDerWaalsContact CG2-CD1 3.46Å; I149-I186 HydrophobicContact CG2-CG1 3.32Å
150	Y	97.2	Very high	95.4	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	144	179.8	-57.9	-95	0	0	0	109.4	S74 V75 V76 I77 P148 R192 Y487 M488 Q491	S74-Y150 WeakPolarHBondContact OG-CE2 3.31Å; V75-Y150 PolarHBondContact O-N 2.92Å; V76-Y150 CarbonylContact C-O 3.49Å; V76-Y150 HydrophobicContact CG2-CD2 4.37Å; I77-Y150 WeakPolarHBondContact CG1-O 3.29Å; I77-Y150 PolarHBondContact N-O 3.43Å; P148-Y150 HydrophobicContact CB-CE2 3.71Å; P148-Y150 HydrophobicContact CG-CE2 4.07Å; Y150-R192 WeakPolarHBondContact CA-O 3.22Å; Y150-R192 HydrophobicContact CD1-CB 4Å; Y150-R192 HydrophobicContact CD1-CG 3.85Å; Y150-R192 HydrophobicContact CE1-CB 4.44Å; Y150-R192 HydrophobicContact CE1-CG 3.77Å; Y150-Y487 AromaticContact CD1-CE1 3.66Å; Y150-Y487 HydrophobicContact CD1-CE1 3.66Å; Y150-Y487 AromaticContact CD1-CZ 3.89Å; Y150-Y487 WeakPolarHBondContact CD1-OH 3.47Å; Y150-Y487 HydrophobicContact CE1-CE1 4.32Å; Y150-Y487 AromaticContact CG-CE1 3.76Å; Y150-Y487 HydrophobicContact CG-CE1 3.76Å; Y150-M488 HydrophobicContact CE2-CE 4.37Å; Y150-M488 HydrophobicContact CE2-SD 4.37Å; Y150-Q491 HydrophobicContact CE1-CG 4.21Å
151	L	97	Very high	95.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	118.8	168.6	-179.6	154.3	0	0	0	107.4	I77 A79 I114 F172 I175 L179 R192 I193 R194	I77-L151 HydrophobicContact CB-CB 3.97Å; I77-L151 HydrophobicContact CB-CD1 4.1Å; I77-L151 HydrophobicContact CB-CG 3.97Å; I77-L151 HydrophobicContact CD1-CB 4.44Å; I77-L151 HydrophobicContact CD1-CD1 4.16Å; I77-L151 HydrophobicContact CG2-CD1 3.89Å; I77-L151 HydrophobicContact CG2-CG 4.07Å; I77-L151 WeakPolarHBondContact O-CA 3.41Å; A79-L151 HydrophobicContact CB-CD2 4.17Å; A79-L151 HydrophobicContact CB-CG 4.38Å; I114-L151 HydrophobicContact CD1-CD2 4.05Å; L151-F172 HydrophobicContact CD2-CE1 4.14Å; L151-I175 HydrophobicContact CD1-CG2 3.89Å; L151-L179 HydrophobicContact CD1-CD1 4.44Å; L151-R192 PolarHBondContact N-O 2.98Å; L151-R192 VanDerWaalsContact O-O 3.12Å; L151-I193 HydrophobicContact CB-CD1 3.84Å; L151-I193 HydrophobicContact CB-CG2 4.15Å; L151-I193 HydrophobicContact CD2-CG2 4.19Å; L151-I193 WeakPolarHBondContact O-CA 3.41Å; L151-R194 PolarHBondContact O-N 2.95Å
152	A	97	Very high	95.4	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.017	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.2	171.4	0	0	0	0	0	109	I77 A79 R194 L196 W483	I77-A152 PolarHBondContact O-N 3.01Å; I77-A152 VanDerWaalsContact O-N 3.08Å; A79-A152 PolarHBondContact N-O 3.44Å; A152-R194 WeakPolarHBondContact CA-O 3.49Å; A152-L196 HydrophobicContact CB-CB 3.87Å; A152-L196 HydrophobicContact CB-CD1 4.09Å; A152-L196 HydrophobicContact CB-CD2 4.38Å; A152-L196 HydrophobicContact CB-CG 4.34Å; A152-W483 HydrophobicContact CB-CH2 3.22Å; A152-W483 HydrophobicContact CB-CZ2 3.84Å; A152-W483 HydrophobicContact CB-CZ3 3.85Å; A152-W483 WeakPolarHBondContact O-CZ2 3.4Å
153	A	96.1	Very high	95.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	137.3	175.8	0	0	0	0	0	111	A79 I114 M157 F172 R194 L195 L196	A79-A153 HydrophobicContact CB-CB 3.67Å; A79-A153 WeakPolarHBondContact O-CA 3.45Å; I114-A153 HydrophobicContact CD1-CB 4.18Å; A153-M157 HydrophobicContact CB-CB 3.56Å; A153-M157 HydrophobicContact CB-CG 3.42Å; A153-M157 VanDerWaalsContact CB-CG 3.42Å; A153-F172 HydrophobicContact CB-CE1 4.16Å; A153-F172 HydrophobicContact CB-CZ 3.79Å; A153-R194 PolarHBondContact N-O 3.07Å; A153-L195 HydrophobicContact CB-CD1 4.3Å; A153-L196 WeakPolarHBondContact O-CB 3.49Å; A153-L196 PolarHBondContact O-N 2.99Å
154	T	95.7	Very high	95.3	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.037	15%	0.149	C	C	.	.			trans	-98.8	-152.6	-174.8	70.6	0	0	0	0	111.5	A79 G80 G156 M157 R158 E201 W483	A79-T154 PolarHBondContact O-N 2.95Å; G80-T154 WeakPolarHBondContact CA-OG1 3.26Å; T154-G156 VanDerWaalsContact C-N 3.26Å; T154-G156 PolarHBondContact O-N 2.73Å; T154-G156 VanDerWaalsContact O-N 3.11Å; T154-M157 PolarHBondContact O-N 3.41Å; T154-M157 VanDerWaalsContact O-N 3.07Å; T154-R158 PolarHBondContact O-N 2.79Å; T154-E201 HydrophobicContact CG2-CG 4.4Å; T154-W483 HydrophobicContact CG2-CZ2 4.19Å; T154-W483 VanDerWaalsContact CG2-NE1 3.34Å
155	A	95.2	Very high	95.3	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-54.9	-31.3	-171	0	0	0	0	0	115.8	M157 R158 L159 A236 S237 L275	A155-M157 VanDerWaalsContact C-N 3.33Å; A155-M157 PolarHBondContact O-N 3.1Å; A155-R158 WeakPolarHBondContact O-CB 3.37Å; A155-R158 PolarHBondContact O-N 3.43Å; A155-R158 VanDerWaalsContact O-N 3.09Å; A155-L159 WeakPolarHBondContact O-CG 3.41Å; A155-L159 PolarHBondContact O-N 3.23Å; A155-A236 HydrophobicContact CB-CB 3.61Å; A155-S237 WeakPolarHBondContact CB-OG 3.47Å; A155-L275 HydrophobicContact CB-CD1 3.64Å
156	G	93.7	Very high	95.3	Very high	8 Å²	8	33.7 Å²	33.7	8%	0.082	17%	0.173	C	C	.	.	H	α-helix	trans	-58.3	-46.1	175.8	0	0	0	0	0	112	T154 R158 L159 K160	T154-G156 VanDerWaalsContact C-N 3.26Å; T154-G156 PolarHBondContact O-N 2.73Å; T154-G156 VanDerWaalsContact O-N 3.11Å; G156-R158 VanDerWaalsContact C-N 3.34Å; G156-L159 PolarHBondContact O-N 3.06Å; G156-K160 WeakPolarHBondContact O-CG 3.39Å; G156-K160 PolarHBondContact O-N 3.13Å; G156-K160 VanDerWaalsContact O-N 3.12Å
157	M	95.2	Very high	95.4	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-72.1	-26.2	174.9	-79.6	-56.8	-58	0	0	113.2	I114 S115 I118 A153 T154 A155 K160 L161 L171 F172 L195	I114-M157 HydrophobicContact CD1-CG 4.32Å; I114-M157 HydrophobicContact CG1-CG 4.27Å; S115-M157 VanDerWaalsContact CA-SD 3.53Å; I118-M157 HydrophobicContact CD1-CE 4.08Å; I118-M157 HydrophobicContact CD1-SD 4.04Å; I118-M157 HydrophobicContact CG1-SD 4.45Å; A153-M157 HydrophobicContact CB-CB 3.56Å; A153-M157 HydrophobicContact CB-CG 3.42Å; A153-M157 VanDerWaalsContact CB-CG 3.42Å; T154-M157 PolarHBondContact O-N 3.41Å; T154-M157 VanDerWaalsContact O-N 3.07Å; A155-M157 VanDerWaalsContact C-N 3.33Å; A155-M157 PolarHBondContact O-N 3.1Å; M157-K160 PolarHBondContact O-N 3.49Å; M157-K160 HydrophobicContact SD-CB 4.39Å; M157-L161 WeakPolarHBondContact O-CB 3.34Å; M157-L161 PolarHBondContact O-N 3.17Å; M157-L171 HydrophobicContact CE-CD2 3.74Å; M157-L171 HydrophobicContact SD-CD2 3.71Å; M157-F172 HydrophobicContact CE-CD2 4.42Å; M157-F172 HydrophobicContact CE-CE2 3.79Å; M157-F172 HydrophobicContact CE-CZ 4.27Å; M157-L195 HydrophobicContact CB-CD1 3.57Å
158	R	96.5	Very high	95.3	Very high	25 Å²	25	29.3 Å²	29.3	9%	0.094	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-40.6	172.8	-59	179.1	-164.5	126.6	9.6	111.1	T154 A155 G156 K160 L161 I162 L195 L196 Y197 E201 L275	T154-R158 PolarHBondContact O-N 2.79Å; A155-R158 WeakPolarHBondContact O-CB 3.37Å; A155-R158 PolarHBondContact O-N 3.43Å; A155-R158 VanDerWaalsContact O-N 3.09Å; G156-R158 VanDerWaalsContact C-N 3.34Å; R158-K160 VanDerWaalsContact C-N 3.34Å; R158-L161 PolarHBondContact O-N 3.24Å; R158-I162 WeakPolarHBondContact O-CG1 3.36Å; R158-I162 PolarHBondContact O-N 2.89Å; R158-L195 HydrophobicContact CG-CD1 3.75Å; R158-L195 HydrophobicContact CG-CD2 4.05Å; R158-L195 HydrophobicContact CG-CG 4.03Å; R158-L196 PolarHBondContact NE-O 3.43Å; R158-L196 PolarHBondContact NH2-O 3.38Å; R158-Y197 VanDerWaalsContact NH2-C 3.29Å; R158-Y197 PolarHBondContact NH2-O 3.04Å; R158-Y197 VanDerWaalsContact NH2-O 3.14Å; R158-E201 IonicContact CZ-OE2 3.53Å; R158-E201 IonicContact NH1-OE2 2.72Å; R158-E201 PolarHBondContact NH1-OE2 3.48Å; R158-E201 IonicContact NH2-OE2 2.72Å; R158-E201 PolarHBondContact NH2-OE2 3.27Å; R158-L275 HydrophobicContact CB-CD1 4.21Å; R158-L275 HydrophobicContact CB-CD2 4.21Å
159	L	95.6	Very high	95.3	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-44.7	173.6	-66.5	176.9	0	0	0	110.8	A155 G156 L161 I162 E163 A236 L275 E281 C324	A155-L159 WeakPolarHBondContact O-CG 3.41Å; A155-L159 PolarHBondContact O-N 3.23Å; G156-L159 PolarHBondContact O-N 3.06Å; L159-L161 VanDerWaalsContact C-N 3.33Å; L159-L161 PolarHBondContact O-N 2.78Å; L159-I162 WeakPolarHBondContact O-CB 3.13Å; L159-I162 PolarHBondContact O-N 2.76Å; L159-E163 WeakPolarHBondContact O-CG 3.27Å; L159-E163 PolarHBondContact O-N 2.87Å; L159-A236 HydrophobicContact CD1-CB 3.73Å; L159-L275 HydrophobicContact CD2-CD1 3.85Å; L159-L275 HydrophobicContact CD2-CD2 3.9Å; L159-L275 HydrophobicContact CD2-CG 3.77Å; L159-L275 HydrophobicContact CG-CD1 3.99Å; L159-L275 HydrophobicContact CG-CG 4.45Å; L159-E281 HydrophobicContact CD1-CG 3.75Å; L159-C324 WeakPolarHBondContact CD2-SG 3.38Å
160	K	94.1	Very high	95.3	Very high	67 Å²	67	37.8 Å²	37.8	29%	0.291	20%	0.201	S	C	.	.	H	α-helix	trans	-64.1	-35.4	177.2	-68.1	-57.5	-176.9	-170	0	114.2	I118 G156 M157 R158 I162 E163 D164 S168	I118-K160 HydrophobicContact CD1-CB 3.14Å; I118-K160 HydrophobicContact CD1-CD 3.76Å; I118-K160 HydrophobicContact CD1-CG 3.32Å; G156-K160 WeakPolarHBondContact O-CG 3.39Å; G156-K160 PolarHBondContact O-N 3.13Å; G156-K160 VanDerWaalsContact O-N 3.12Å; M157-K160 PolarHBondContact O-N 3.49Å; M157-K160 HydrophobicContact SD-CB 4.39Å; R158-K160 VanDerWaalsContact C-N 3.34Å; K160-I162 PolarHBondContact O-N 3.47Å; K160-E163 WeakPolarHBondContact CD-OE2 3.46Å; K160-E163 IonicContact NZ-OE2 3.76Å; K160-E163 PolarHBondContact NZ-OE2 3Å; K160-E163 PolarHBondContact O-N 3.02Å; K160-E163 VanDerWaalsContact O-N 3.17Å; K160-D164 CarbonylContact O-C 3.5Å; K160-D164 PolarHBondContact O-N 3.5Å; K160-S168 PolarHBondContact O-OG 3.28Å; K160-S168 VanDerWaalsContact O-OG 3.11Å
161	L	95.2	Very high	95.2	Very high	67 Å²	67	37.6 Å²	37.6	35%	0.351	20%	0.2	S	C	.	.	H	α-helix	trans	-60.8	-31.4	172.5	-178.7	67.8	0	0	0	112	M157 R158 L159 P165 S168 L195	M157-L161 WeakPolarHBondContact O-CB 3.34Å; M157-L161 PolarHBondContact O-N 3.17Å; R158-L161 PolarHBondContact O-N 3.24Å; L159-L161 VanDerWaalsContact C-N 3.33Å; L159-L161 PolarHBondContact O-N 2.78Å; L161-P165 HydrophobicContact CD1-CB 4.46Å; L161-P165 WeakPolarHBondContact O-CA 3.18Å; L161-P165 VanDerWaalsContact O-CG 3.27Å; L161-P165 WeakPolarHBondContact O-CG 3.37Å; L161-S168 WeakPolarHBondContact CA-OG 3.47Å; L161-S168 PolarHBondContact N-OG 3.48Å; L161-L195 HydrophobicContact CD2-CD2 3.63Å
162	I	95	Very high	95.2	Very high	74 Å²	74	38.2 Å²	38.2	38%	0.379	20%	0.203	S	C	.	.	H	α-helix	trans	-77.2	-39.5	175.6	-60.1	164.2	0	0	0	110.9	R158 L159 K160 L275 S323 Y329	R158-I162 WeakPolarHBondContact O-CG1 3.36Å; R158-I162 PolarHBondContact O-N 2.89Å; L159-I162 WeakPolarHBondContact O-CB 3.13Å; L159-I162 PolarHBondContact O-N 2.76Å; K160-I162 PolarHBondContact O-N 3.47Å; I162-L275 HydrophobicContact CD1-CD2 3.9Å; I162-S323 WeakPolarHBondContact CB-OG 3.34Å; I162-S323 WeakPolarHBondContact CG2-OG 3.24Å; I162-Y329 HydrophobicContact CD1-CD2 4.3Å; I162-Y329 HydrophobicContact CD1-CG 4.14Å
163	E	92.6	Very high	95.2	Very high	76 Å²	76	41.1 Å²	41.1	36%	0.355	22%	0.223	S	C	.	.	H	α-helix	trans	-72.7	-48.5	-178.8	-65.8	176.7	179.4	0	0	112.5	L159 K160 G322 S323	L159-E163 WeakPolarHBondContact O-CG 3.27Å; L159-E163 PolarHBondContact O-N 2.87Å; K160-E163 WeakPolarHBondContact CD-OE2 3.46Å; K160-E163 IonicContact NZ-OE2 3.76Å; K160-E163 PolarHBondContact NZ-OE2 3Å; K160-E163 PolarHBondContact O-N 3.02Å; K160-E163 VanDerWaalsContact O-N 3.17Å; E163-G322 WeakPolarHBondContact OE1-CA 3.29Å; E163-S323 WeakPolarHBondContact CG-OG 3.45Å; E163-S323 PolarHBondContact OE1-N 3.3Å
164	D	93.3	Very high	95.1	Very high	57 Å²	57	41.8 Å²	41.8	31%	0.305	23%	0.227	S	C	.	.			trans	-141.9	86.3	-176.7	-179.1	6.1	0	0	0	109.7	K160 L166 G167 S168	K160-D164 CarbonylContact O-C 3.5Å; K160-D164 PolarHBondContact O-N 3.5Å; D164-L166 VanDerWaalsContact C-N 3.29Å; D164-L166 PolarHBondContact O-N 3.36Å; D164-L166 PolarHBondContact OD1-N 3.18Å; D164-G167 PolarHBondContact OD1-N 3.04Å; D164-G167 WeakPolarHBondContact OD2-CA 3.42Å; D164-G167 PolarHBondContact OD2-N 3.29Å; D164-S168 VanDerWaalsContact O-CB 3.29Å; D164-S168 WeakPolarHBondContact O-CB 3.43Å; D164-S168 PolarHBondContact O-N 3.15Å; D164-S168 PolarHBondContact O-OG 3.31Å
165	P	95	Very high	95.2	Very high	67 Å²	67	41.6 Å²	41.6	44%	0.435	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-38.1	178.7	-20.4	27.9	0	0	0	113.2	L161 L169	L161-P165 HydrophobicContact CD1-CB 4.46Å; L161-P165 WeakPolarHBondContact O-CA 3.18Å; L161-P165 VanDerWaalsContact O-CG 3.27Å; L161-P165 WeakPolarHBondContact O-CG 3.37Å; P165-L169 VanDerWaalsContact O-CG 3.24Å; P165-L169 WeakPolarHBondContact O-CG 3.3Å; P165-L169 PolarHBondContact O-N 3.16Å
166	L	95.6	Very high	95.2	Very high	138 Å²	138	43.9 Å²	43.9	72%	0.723	23%	0.234	S	C	*	.	H	α-helix	trans	-73.8	-47.2	-175.6	-67.2	179.6	0	0	0	111.2	D164 S168 L169 D170	D164-L166 VanDerWaalsContact C-N 3.29Å; D164-L166 PolarHBondContact O-N 3.36Å; D164-L166 PolarHBondContact OD1-N 3.18Å; L166-S168 VanDerWaalsContact C-N 3.28Å; L166-S168 PolarHBondContact O-N 3.43Å; L166-L169 PolarHBondContact O-N 3.45Å; L166-D170 WeakPolarHBondContact O-CB 3.48Å; L166-D170 PolarHBondContact O-N 2.91Å
167	G	94.7	Very high	95.3	Very high	11 Å²	11	48.7 Å²	48.7	11%	0.113	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-35.8	175.2	0	0	0	0	0	112.4	D164 D170 L171	D164-G167 PolarHBondContact OD1-N 3.04Å; D164-G167 WeakPolarHBondContact OD2-CA 3.42Å; D164-G167 PolarHBondContact OD2-N 3.29Å; G167-D170 PolarHBondContact O-N 2.77Å; G167-L171 WeakPolarHBondContact O-CB 3.12Å; G167-L171 PolarHBondContact O-N 2.93Å
168	S	94.6	Very high	95.3	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.007	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-43.1	173.8	-62.9	0	0	0	0	112.5	K160 L161 D164 L166 F172	K160-S168 PolarHBondContact O-OG 3.28Å; K160-S168 VanDerWaalsContact O-OG 3.11Å; L161-S168 WeakPolarHBondContact CA-OG 3.47Å; L161-S168 PolarHBondContact N-OG 3.48Å; D164-S168 VanDerWaalsContact O-CB 3.29Å; D164-S168 WeakPolarHBondContact O-CB 3.43Å; D164-S168 PolarHBondContact O-N 3.15Å; D164-S168 PolarHBondContact O-OG 3.31Å; L166-S168 VanDerWaalsContact C-N 3.28Å; L166-S168 PolarHBondContact O-N 3.43Å; S168-F172 WeakPolarHBondContact O-CD2 3.27Å; S168-F172 PolarHBondContact O-N 3.22Å
169	L	95.3	Very high	95.3	Very high	103 Å²	103	50.5 Å²	50.5	54%	0.539	26%	0.262	S	S	.	.	H	α-helix	trans	-66.6	-40.7	176.2	-73	171.7	0	0	0	111.9	P165 L166 F172 S173	P165-L169 VanDerWaalsContact O-CG 3.24Å; P165-L169 WeakPolarHBondContact O-CG 3.3Å; P165-L169 PolarHBondContact O-N 3.16Å; L166-L169 PolarHBondContact O-N 3.45Å; L169-F172 PolarHBondContact O-N 2.94Å; L169-S173 PolarHBondContact O-N 3.31Å
170	D	95.9	Very high	95.2	Very high	78 Å²	78	56.1 Å²	56.1	42%	0.417	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-46.1	176	-173	56.9	0	0	0	111.3	T121 L166 G167 F172 S173 V174	T121-D170 HydrophobicContact CG2-CB 4.45Å; T121-D170 VanDerWaalsContact CG2-OD2 3.28Å; T121-D170 WeakPolarHBondContact CG2-OD2 3.24Å; T121-D170 PolarHBondContact OG1-OD2 3.44Å; T121-D170 VanDerWaalsContact OG1-OD2 3.07Å; L166-D170 WeakPolarHBondContact O-CB 3.48Å; L166-D170 PolarHBondContact O-N 2.91Å; G167-D170 PolarHBondContact O-N 2.77Å; D170-F172 VanDerWaalsContact C-N 3.32Å; D170-F172 PolarHBondContact O-N 3.08Å; D170-S173 WeakPolarHBondContact O-CA 3.12Å; D170-S173 VanDerWaalsContact O-CB 3.3Å; D170-S173 WeakPolarHBondContact O-CB 3.41Å; D170-S173 PolarHBondContact O-N 3.04Å; D170-V174 WeakPolarHBondContact O-CG2 3.43Å; D170-V174 PolarHBondContact O-N 2.73Å
171	L	96.2	Very high	95.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-54.7	-47.5	176.6	-179.6	67	0	0	0	111.9	I114 I118 T121 A124 M157 G167 V174 I175	I114-L171 WeakPolarHBondContact O-CD2 3.35Å; I118-L171 HydrophobicContact CG1-CD2 3.84Å; T121-L171 HydrophobicContact CG2-CB 3.87Å; T121-L171 HydrophobicContact CG2-CD1 3.98Å; A124-L171 HydrophobicContact CB-CD1 3.45Å; A124-L171 VanDerWaalsContact CB-CD1 3.45Å; M157-L171 HydrophobicContact CE-CD2 3.74Å; M157-L171 HydrophobicContact SD-CD2 3.71Å; G167-L171 WeakPolarHBondContact O-CB 3.12Å; G167-L171 PolarHBondContact O-N 2.93Å; L171-V174 PolarHBondContact O-N 3.01Å; L171-I175 HydrophobicContact CD1-CD1 3.93Å; L171-I175 HydrophobicContact CD1-CG1 4.33Å; L171-I175 HydrophobicContact CG-CD1 3.89Å; L171-I175 WeakPolarHBondContact O-CB 3.23Å; L171-I175 VanDerWaalsContact O-CG1 3.27Å; L171-I175 WeakPolarHBondContact O-CG1 3.28Å; L171-I175 PolarHBondContact O-N 2.93Å
172	F	96.7	Very high	95	Very high	13 Å²	13	57.1 Å²	57.1	6%	0.057	29%	0.293	C	S	.	.	H	α-helix	trans	-66.3	-37.2	177.2	-78.8	-66.1	0	0	0	112.6	L151 A153 M157 S168 L169 D170 R176 I193 R194 L195	L151-F172 HydrophobicContact CD2-CE1 4.14Å; A153-F172 HydrophobicContact CB-CE1 4.16Å; A153-F172 HydrophobicContact CB-CZ 3.79Å; M157-F172 HydrophobicContact CE-CD2 4.42Å; M157-F172 HydrophobicContact CE-CE2 3.79Å; M157-F172 HydrophobicContact CE-CZ 4.27Å; S168-F172 WeakPolarHBondContact O-CD2 3.27Å; S168-F172 PolarHBondContact O-N 3.22Å; L169-F172 PolarHBondContact O-N 2.94Å; D170-F172 VanDerWaalsContact C-N 3.32Å; D170-F172 PolarHBondContact O-N 3.08Å; F172-R176 WeakPolarHBondContact O-CB 3.44Å; F172-R176 WeakPolarHBondContact O-CD 3.25Å; F172-R176 WeakPolarHBondContact O-CG 3.34Å; F172-R176 PolarHBondContact O-N 3.31Å; F172-I193 HydrophobicContact CD1-CG2 4.42Å; F172-R194 VanDerWaalsContact CE1-C 3.47Å; F172-L195 HydrophobicContact CE2-CB 4.28Å; F172-L195 HydrophobicContact CZ-CB 4.08Å; F172-L195 HydrophobicContact CZ-CD1 4.35Å
173	S	96.1	Very high	95	Very high	63 Å²	63	55.2 Å²	55.2	44%	0.441	29%	0.291	S	S	.	.	H	α-helix	trans	-58.8	-50.3	175.3	-172.3	0	0	0	0	111.1	L169 D170 R176 Q177	L169-S173 PolarHBondContact O-N 3.31Å; D170-S173 WeakPolarHBondContact O-CA 3.12Å; D170-S173 VanDerWaalsContact O-CB 3.3Å; D170-S173 WeakPolarHBondContact O-CB 3.41Å; D170-S173 PolarHBondContact O-N 3.04Å; S173-R176 PolarHBondContact O-N 2.85Å; S173-Q177 PolarHBondContact O-N 3.06Å
174	V	95.7	Very high	95.1	Very high	14 Å²	14	52.2 Å²	52.2	9%	0.085	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-48.4	179.4	171.9	0	0	0	0	111.5	T121 I122 D170 L171 R176 Q177 Y178	T121-V174 WeakPolarHBondContact O-CG1 3.45Å; I122-V174 HydrophobicContact CG1-CG1 4.47Å; D170-V174 WeakPolarHBondContact O-CG2 3.43Å; D170-V174 PolarHBondContact O-N 2.73Å; L171-V174 PolarHBondContact O-N 3.01Å; V174-R176 VanDerWaalsContact C-N 3.32Å; V174-R176 PolarHBondContact O-N 2.86Å; V174-Q177 PolarHBondContact O-N 2.99Å; V174-Y178 HydrophobicContact CG1-CD2 3.6Å; V174-Y178 HydrophobicContact CG1-CE2 3.65Å; V174-Y178 VanDerWaalsContact O-CD2 3.31Å; V174-Y178 WeakPolarHBondContact O-CD2 3.26Å; V174-Y178 PolarHBondContact O-N 2.91Å
175	I	96.3	Very high	95.1	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-58.7	-43.6	177.5	-71.7	174.7	0	0	0	111.1	I114 L151 L171 Q177 Y178 L179 I193	I114-I175 HydrophobicContact CB-CD1 4.49Å; I114-I175 HydrophobicContact CD1-CD1 3.92Å; L151-I175 HydrophobicContact CD1-CG2 3.89Å; L171-I175 HydrophobicContact CD1-CD1 3.93Å; L171-I175 HydrophobicContact CD1-CG1 4.33Å; L171-I175 HydrophobicContact CG-CD1 3.89Å; L171-I175 WeakPolarHBondContact O-CB 3.23Å; L171-I175 VanDerWaalsContact O-CG1 3.27Å; L171-I175 WeakPolarHBondContact O-CG1 3.28Å; L171-I175 PolarHBondContact O-N 2.93Å; I175-Q177 PolarHBondContact O-N 3.23Å; I175-Y178 PolarHBondContact O-N 3.32Å; I175-L179 HydrophobicContact CG2-CD1 3.52Å; I175-L179 HydrophobicContact CG2-CG 4.2Å; I175-L179 VanDerWaalsContact O-CB 3.27Å; I175-L179 WeakPolarHBondContact O-CB 3.3Å; I175-L179 WeakPolarHBondContact O-CG 3.49Å; I175-L179 PolarHBondContact O-N 3Å; I175-I193 HydrophobicContact CB-CG2 4.49Å; I175-I193 HydrophobicContact CG2-CG2 3.66Å
176	R	96.7	Very high	94.9	Very high	50 Å²	50	49.8 Å²	49.8	19%	0.189	26%	0.258	C	S	.	.	H	α-helix	trans	-60.5	-45.6	176.1	-75.6	167.1	-169.2	144.1	0.6	111.7	F172 S173 V174 K180 P189 N190 I193	F172-R176 WeakPolarHBondContact O-CB 3.44Å; F172-R176 WeakPolarHBondContact O-CD 3.25Å; F172-R176 WeakPolarHBondContact O-CG 3.34Å; F172-R176 PolarHBondContact O-N 3.31Å; S173-R176 PolarHBondContact O-N 2.85Å; V174-R176 VanDerWaalsContact C-N 3.32Å; V174-R176 PolarHBondContact O-N 2.86Å; R176-K180 VanDerWaalsContact O-CG 3.31Å; R176-K180 WeakPolarHBondContact O-CG 3.32Å; R176-K180 PolarHBondContact O-N 2.75Å; R176-K180 VanDerWaalsContact O-N 3.1Å; R176-P189 HydrophobicContact CB-CB 4.49Å; R176-P189 HydrophobicContact CG-CB 4.24Å; R176-P189 PolarHBondContact NE-O 3.36Å; R176-N190 PolarHBondContact NE-OD1 2.9Å; R176-N190 PolarHBondContact NH1-OD1 3.42Å; R176-I193 HydrophobicContact CG-CB 3.65Å; R176-I193 HydrophobicContact CG-CG1 4.11Å; R176-I193 HydrophobicContact CG-CG2 3.78Å; R176-I193 PolarHBondContact NE-O 3.37Å; R176-I193 PolarHBondContact NH2-O 2.93Å
177	Q	95.4	Very high	94.5	Very high	109 Å²	109	48 Å²	48	51%	0.509	25%	0.246	S	C	.	.	H	α-helix	trans	-61.6	-44.7	-179	-179.1	-179.6	1.3	0	0	111.9	S173 V174 I175 Q181	S173-Q177 PolarHBondContact O-N 3.06Å; V174-Q177 PolarHBondContact O-N 2.99Å; I175-Q177 PolarHBondContact O-N 3.23Å; Q177-Q181 PolarHBondContact O-NE2 3.14Å; Q177-Q181 VanDerWaalsContact O-NE2 3.15Å
178	Y	95.3	Very high	94.3	Very high	64 Å²	64	51 Å²	51	25%	0.251	26%	0.262	S	S	.	.	H	α-helix	trans	-78.9	-35.7	-177.8	-79.7	-70.5	0	0	0	113.4	I122 Y125 V174 I175 K180 Q181 S182	I122-Y178 HydrophobicContact CG1-CE2 4.43Å; Y125-Y178 VanDerWaalsContact CD1-CB 3.48Å; Y125-Y178 AromaticContact CD1-CD1 3.8Å; Y125-Y178 HydrophobicContact CD1-CD1 3.8Å; Y125-Y178 HydrophobicContact CD1-CD2 4.27Å; Y125-Y178 AromaticContact CD1-CG 3.61Å; Y125-Y178 HydrophobicContact CD1-CG 3.61Å; Y125-Y178 HydrophobicContact CD2-CG 4.33Å; Y125-Y178 AromaticContact CE1-CD1 3.89Å; Y125-Y178 HydrophobicContact CE1-CD1 3.89Å; Y125-Y178 AromaticContact CE1-CG 4Å; Y125-Y178 HydrophobicContact CE1-CG 4Å; Y125-Y178 HydrophobicContact CG-CD1 4.43Å; Y125-Y178 HydrophobicContact CG-CD2 4.21Å; Y125-Y178 AromaticContact CG-CG 3.79Å; Y125-Y178 HydrophobicContact CG-CG 3.79Å; Y125-Y178 PolarHBondContact OH-O 2.9Å; V174-Y178 HydrophobicContact CG1-CD2 3.6Å; V174-Y178 HydrophobicContact CG1-CE2 3.65Å; V174-Y178 VanDerWaalsContact O-CD2 3.31Å; V174-Y178 WeakPolarHBondContact O-CD2 3.26Å; V174-Y178 PolarHBondContact O-N 2.91Å; I175-Y178 PolarHBondContact O-N 3.32Å; Y178-K180 VanDerWaalsContact C-N 3.27Å; Y178-K180 PolarHBondContact O-N 2.98Å; Y178-Q181 PolarHBondContact O-N 2.67Å; Y178-S182 PolarHBondContact O-N 2.75Å
179	L	95.2	Very high	94.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.8	-32.7	173.5	-74.4	174.2	0	0	0	111.4	Y125 L128 L132 I149 L151 I175 Q181 S182 I186 I193	Y125-L179 HydrophobicContact CD2-CD2 4.43Å; Y125-L179 HydrophobicContact CD2-CG 4.37Å; Y125-L179 HydrophobicContact CE2-CD2 3.88Å; Y125-L179 HydrophobicContact CE2-CG 4.12Å; L128-L179 HydrophobicContact CD2-CD2 4.09Å; L132-L179 HydrophobicContact CD2-CD2 4.05Å; I149-L179 HydrophobicContact CD1-CD2 3.9Å; L151-L179 HydrophobicContact CD1-CD1 4.44Å; I175-L179 HydrophobicContact CG2-CD1 3.52Å; I175-L179 HydrophobicContact CG2-CG 4.2Å; I175-L179 VanDerWaalsContact O-CB 3.27Å; I175-L179 WeakPolarHBondContact O-CB 3.3Å; I175-L179 WeakPolarHBondContact O-CG 3.49Å; I175-L179 PolarHBondContact O-N 3Å; L179-Q181 PolarHBondContact O-N 2.76Å; L179-Q181 VanDerWaalsContact O-N 3.13Å; L179-S182 VanDerWaalsContact O-CB 3.24Å; L179-S182 WeakPolarHBondContact O-CB 3.43Å; L179-S182 PolarHBondContact O-N 3.15Å; L179-S182 PolarHBondContact O-OG 3.39Å; L179-I186 HydrophobicContact CB-CD1 3.44Å; L179-I186 VanDerWaalsContact CB-CD1 3.44Å; L179-I186 VanDerWaalsContact O-CD1 3.24Å; L179-I186 WeakPolarHBondContact O-CD1 3.21Å; L179-I193 HydrophobicContact CD1-CD1 3.77Å; L179-I193 HydrophobicContact CD1-CG1 4.36Å
180	K	93.4	Very high	94	Very high	126 Å²	126	52 Å²	52	55%	0.548	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.2	172	-79.6	176.9	177.9	-174.7	0	113.5	R176 Y178 I186	R176-K180 VanDerWaalsContact O-CG 3.31Å; R176-K180 WeakPolarHBondContact O-CG 3.32Å; R176-K180 PolarHBondContact O-N 2.75Å; R176-K180 VanDerWaalsContact O-N 3.1Å; Y178-K180 VanDerWaalsContact C-N 3.27Å; Y178-K180 PolarHBondContact O-N 2.98Å; K180-I186 HydrophobicContact CG-CB 4.49Å
181	Q	93.2	Very high	93.8	Very high	129 Å²	129	53.2 Å²	53.2	60%	0.603	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	1.3	-179.9	-61	171	49.4	0	0	112.7	Q177 Y178 L179 G183	Q177-Q181 PolarHBondContact O-NE2 3.14Å; Q177-Q181 VanDerWaalsContact O-NE2 3.15Å; Y178-Q181 PolarHBondContact O-N 2.67Å; L179-Q181 PolarHBondContact O-N 2.76Å; L179-Q181 VanDerWaalsContact O-N 3.13Å; Q181-G183 VanDerWaalsContact C-N 3.28Å; Q181-G183 PolarHBondContact O-N 3.14Å
182	S	93.3	Very high	93.7	Very high	26 Å²	26	53.9 Å²	53.9	18%	0.182	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-9.4	-174.6	66.3	0	0	0	0	114.5	Y178 L179 F184	Y178-S182 PolarHBondContact O-N 2.75Å; L179-S182 VanDerWaalsContact O-CB 3.24Å; L179-S182 WeakPolarHBondContact O-CB 3.43Å; L179-S182 PolarHBondContact O-N 3.15Å; L179-S182 PolarHBondContact O-OG 3.39Å; S182-F184 VanDerWaalsContact C-N 3.34Å; S182-F184 WeakPolarHBondContact OG-CD2 3.41Å
183	G	93.4	Very high	93.7	Very high	33 Å²	33	53.3 Å²	53.3	34%	0.34	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	1.5	-175.4	0	0	0	0	0	114.5	K144 Q145 Q181	K144-G183 CarbonylContact C-O 3.31Å; K144-G183 VanDerWaalsContact C-O 3.31Å; Q145-G183 WeakPolarHBondContact CA-O 3.39Å; Q145-G183 PolarHBondContact N-O 3.16Å; Q181-G183 VanDerWaalsContact C-N 3.28Å; Q181-G183 PolarHBondContact O-N 3.14Å
184	F	95.3	Very high	93.7	Very high	14 Å²	14	52.2 Å²	52.2	6%	0.061	26%	0.259	C	S	.	.	S	Bend	trans	-89.7	160.2	173.4	-69	-81.4	0	0	0	112.3	V75 L132 T136 K144 T147 I149 S182 I186	V75-F184 HydrophobicContact CG2-CD1 4.48Å; V75-F184 HydrophobicContact CG2-CE1 4.11Å; L132-F184 HydrophobicContact CD1-CE2 3.99Å; L132-F184 HydrophobicContact CD1-CZ 4.3Å; L132-F184 HydrophobicContact CD2-CD2 4.18Å; L132-F184 HydrophobicContact CD2-CE2 3.95Å; L132-F184 HydrophobicContact CG-CE2 3.93Å; T136-F184 HydrophobicContact CG2-CE1 3.99Å; T136-F184 HydrophobicContact CG2-CZ 3.55Å; K144-F184 HydrophobicContact CB-CD1 4.43Å; K144-F184 HydrophobicContact CB-CE1 4.12Å; K144-F184 HydrophobicContact CB-CZ 4.42Å; K144-F184 HydrophobicContact CD-CZ 4.18Å; K144-F184 HydrophobicContact CG-CE1 3.91Å; K144-F184 HydrophobicContact CG-CZ 3.97Å; K144-F184 WeakPolarHBondContact O-CA 3.27Å; T147-F184 HydrophobicContact CG2-CD1 3.72Å; T147-F184 HydrophobicContact CG2-CE1 3.87Å; I149-F184 HydrophobicContact CB-CB 4.04Å; I149-F184 HydrophobicContact CB-CG 4.41Å; I149-F184 HydrophobicContact CD1-CD2 4.36Å; I149-F184 HydrophobicContact CD1-CG 4.47Å; I149-F184 HydrophobicContact CG2-CB 3.61Å; I149-F184 HydrophobicContact CG2-CG 4.41Å; S182-F184 VanDerWaalsContact C-N 3.34Å; S182-F184 WeakPolarHBondContact OG-CD2 3.41Å; F184-I186 PolarHBondContact O-N 3.03Å
185	Q	93.2	Very high	93.8	Very high	46 Å²	46	53.4 Å²	53.4	22%	0.215	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-76.7	116.6	176.9	-168.5	-174.5	15.3	0	0	110.9	Q145 T147 P148 I149 E187 R192	Q145-Q185 WeakPolarHBondContact O-CB 2.99Å; T147-Q185 PolarHBondContact O-N 2.55Å; P148-Q185 WeakPolarHBondContact CA-O 3.41Å; I149-Q185 PolarHBondContact N-O 3.47Å; Q185-E187 HydrophobicContact CG-CG 4.28Å; Q185-E187 VanDerWaalsContact NE2-CD 3.34Å; Q185-E187 PolarHBondContact NE2-OE1 3.46Å; Q185-R192 PolarHBondContact O-NH1 2.97Å
186	I	91.5	Very high	93.7	Very high	27 Å²	27	53.4 Å²	53.4	14%	0.138	26%	0.264	C	S	.	.			trans	-127.2	80.7	174.6	-50.6	-173.7	0	0	0	109.3	I149 L179 K180 F184 P189	I149-I186 HydrophobicContact CG2-CD1 3.46Å; I149-I186 VanDerWaalsContact CG2-CD1 3.46Å; I149-I186 HydrophobicContact CG2-CG1 3.32Å; L179-I186 HydrophobicContact CB-CD1 3.44Å; L179-I186 VanDerWaalsContact CB-CD1 3.44Å; L179-I186 VanDerWaalsContact O-CD1 3.24Å; L179-I186 WeakPolarHBondContact O-CD1 3.21Å; K180-I186 HydrophobicContact CG-CB 4.49Å; F184-I186 PolarHBondContact O-N 3.03Å; I186-P189 HydrophobicContact CG2-CB 3.92Å; I186-P189 HydrophobicContact CG2-CG 3.98Å
187	E	86.3	Confident	93.6	Very high	99 Å²	99	58.8 Å²	58.8	46%	0.463	29%	0.286	S	S	.	.	S	Bend	trans	-75	154.4	159.6	-58.6	163	171.2	0	0	108.2	Q185 R192	Q185-E187 HydrophobicContact CG-CG 4.28Å; Q185-E187 VanDerWaalsContact NE2-CD 3.34Å; Q185-E187 PolarHBondContact NE2-OE1 3.46Å; E187-R192 WeakPolarHBondContact O-CD 3.34Å; E187-R192 WeakPolarHBondContact O-CG 3.35Å; E187-R192 PolarHBondContact O-NE 3.08Å; E187-R192 IonicContact OE2-CZ 3.76Å; E187-R192 IonicContact OE2-NH2 2.78Å; E187-R192 PolarHBondContact OE2-NH2 3.02Å
188	T	90.4	Very high	93.6	Very high	75 Å²	75	54.2 Å²	54.2	46%	0.46	27%	0.269	S	S	.	.	S	Bend	trans	45.1	61.8	173.5	54.4	0	0	0	0	113.5	N190 E191 R192	T188-N190 PolarHBondContact O-N 3.07Å; T188-E191 VanDerWaalsContact CA-OE2 3.3Å; T188-E191 WeakPolarHBondContact CA-OE2 3.41Å; T188-E191 WeakPolarHBondContact CB-OE2 3.2Å; T188-E191 WeakPolarHBondContact O-CB 3.26Å; T188-E191 PolarHBondContact O-N 2.95Å; T188-R192 PolarHBondContact O-N 3.34Å
189	P	91.4	Very high	93.6	Very high	24 Å²	24	52 Å²	52	16%	0.156	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-26	-171.8	-20.3	28.7	0	0	0	114.5	R176 I186 E191 I193	R176-P189 HydrophobicContact CB-CB 4.49Å; R176-P189 HydrophobicContact CG-CB 4.24Å; R176-P189 PolarHBondContact NE-O 3.36Å; I186-P189 HydrophobicContact CG2-CB 3.92Å; I186-P189 HydrophobicContact CG2-CG 3.98Å; P189-E191 VanDerWaalsContact C-N 3.33Å; P189-I193 VanDerWaalsContact O-CB 3.27Å; P189-I193 WeakPolarHBondContact O-CB 3.29Å; P189-I193 PolarHBondContact O-N 3.45Å
190	N	93.4	Very high	93.7	Very high	100 Å²	100	53.4 Å²	53.4	54%	0.535	27%	0.269	S	S	.	.	H	α-helix	trans	-76.1	-27	178.7	-67.1	-29.8	0	0	0	111.7	R176 T188 R194	R176-N190 PolarHBondContact NE-OD1 2.9Å; R176-N190 PolarHBondContact NH1-OD1 3.42Å; T188-N190 PolarHBondContact O-N 3.07Å; N190-R194 WeakPolarHBondContact O-CB 3.41Å
191	E	92.2	Very high	93.8	Very high	105 Å²	105	47.8 Å²	47.8	49%	0.491	25%	0.245	S	C	.	.	H	α-helix	trans	-88	-36.6	179	-62.5	75.2	-175.6	0	0	111.5	T188 P189 R194	T188-E191 VanDerWaalsContact CA-OE2 3.3Å; T188-E191 WeakPolarHBondContact CA-OE2 3.41Å; T188-E191 WeakPolarHBondContact CB-OE2 3.2Å; T188-E191 WeakPolarHBondContact O-CB 3.26Å; T188-E191 PolarHBondContact O-N 2.95Å; P189-E191 VanDerWaalsContact C-N 3.33Å; E191-R194 WeakPolarHBondContact O-CD 3.42Å; E191-R194 PolarHBondContact O-NE 3.3Å
192	R	94.1	Very high	94	Very high	14 Å²	14	41.7 Å²	41.7	5%	0.053	22%	0.216	C	C	.	.	H	α-helix	trans	-83.8	-30.2	179.2	-64.8	-164.9	-177.1	174	-0.1	113.9	Y150 L151 Q185 E187 T188	Y150-R192 WeakPolarHBondContact CA-O 3.22Å; Y150-R192 HydrophobicContact CD1-CB 4Å; Y150-R192 HydrophobicContact CD1-CG 3.85Å; Y150-R192 HydrophobicContact CE1-CB 4.44Å; Y150-R192 HydrophobicContact CE1-CG 3.77Å; L151-R192 PolarHBondContact N-O 2.98Å; L151-R192 VanDerWaalsContact O-O 3.12Å; Q185-R192 PolarHBondContact O-NH1 2.97Å; E187-R192 WeakPolarHBondContact O-CD 3.34Å; E187-R192 WeakPolarHBondContact O-CG 3.35Å; E187-R192 PolarHBondContact O-NE 3.08Å; E187-R192 IonicContact OE2-CZ 3.76Å; E187-R192 IonicContact OE2-NH2 2.78Å; E187-R192 PolarHBondContact OE2-NH2 3.02Å; T188-R192 PolarHBondContact O-N 3.34Å
193	I	96.6	Very high	94.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	94.8	-178.8	-44.6	-56.1	0	0	0	108.1	L151 F172 I175 R176 L179 P189	L151-I193 HydrophobicContact CB-CD1 3.84Å; L151-I193 HydrophobicContact CB-CG2 4.15Å; L151-I193 HydrophobicContact CD2-CG2 4.19Å; L151-I193 WeakPolarHBondContact O-CA 3.41Å; F172-I193 HydrophobicContact CD1-CG2 4.42Å; I175-I193 HydrophobicContact CB-CG2 4.49Å; I175-I193 HydrophobicContact CG2-CG2 3.66Å; R176-I193 HydrophobicContact CG-CB 3.65Å; R176-I193 HydrophobicContact CG-CG1 4.11Å; R176-I193 HydrophobicContact CG-CG2 3.78Å; R176-I193 PolarHBondContact NE-O 3.37Å; R176-I193 PolarHBondContact NH2-O 2.93Å; L179-I193 HydrophobicContact CD1-CD1 3.77Å; L179-I193 HydrophobicContact CD1-CG1 4.36Å; P189-I193 VanDerWaalsContact O-CB 3.27Å; P189-I193 WeakPolarHBondContact O-CB 3.29Å; P189-I193 PolarHBondContact O-N 3.45Å
194	R	96.1	Very high	94.4	Very high	40 Å²	40	40 Å²	40	15%	0.151	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	170.8	-166.9	66.8	176.3	179.3	100.8	-9	114.3	L151 A152 A153 F172 N190 E191 E200	L151-R194 PolarHBondContact O-N 2.95Å; A152-R194 WeakPolarHBondContact CA-O 3.49Å; A153-R194 PolarHBondContact N-O 3.07Å; F172-R194 VanDerWaalsContact CE1-C 3.47Å; N190-R194 WeakPolarHBondContact O-CB 3.41Å; E191-R194 WeakPolarHBondContact O-CD 3.42Å; E191-R194 PolarHBondContact O-NE 3.3Å; R194-E200 IonicContact CZ-OE1 3.57Å; R194-E200 IonicContact CZ-OE2 3.22Å; R194-E200 IonicContact NH1-OE1 2.71Å; R194-E200 PolarHBondContact NH1-OE1 3.04Å; R194-E200 IonicContact NH1-OE2 2.74Å; R194-E200 PolarHBondContact NH1-OE2 2.97Å; R194-E200 IonicContact NH2-OE1 2.76Å; R194-E200 PolarHBondContact NH2-OE1 3.5Å; R194-E200 IonicContact NH2-OE2 3.93Å
195	L	96.3	Very high	94.5	Very high	40 Å²	40	39.3 Å²	39.3	21%	0.209	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	126.1	162	-168.8	68.1	0	0	0	108.5	A153 M157 R158 L161 F172	A153-L195 HydrophobicContact CB-CD1 4.3Å; M157-L195 HydrophobicContact CB-CD1 3.57Å; R158-L195 HydrophobicContact CG-CD1 3.75Å; R158-L195 HydrophobicContact CG-CD2 4.05Å; R158-L195 HydrophobicContact CG-CG 4.03Å; L161-L195 HydrophobicContact CD2-CD2 3.63Å; F172-L195 HydrophobicContact CE2-CB 4.28Å; F172-L195 HydrophobicContact CZ-CB 4.08Å; F172-L195 HydrophobicContact CZ-CD1 4.35Å
196	L	95.7	Very high	94.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-77.4	135.5	173	-166.2	65.3	0	0	0	108.4	A152 A153 R158 E200 E201 Y204 W483	A152-L196 HydrophobicContact CB-CB 3.87Å; A152-L196 HydrophobicContact CB-CD1 4.09Å; A152-L196 HydrophobicContact CB-CD2 4.38Å; A152-L196 HydrophobicContact CB-CG 4.34Å; A153-L196 WeakPolarHBondContact O-CB 3.49Å; A153-L196 PolarHBondContact O-N 2.99Å; R158-L196 PolarHBondContact NE-O 3.43Å; R158-L196 PolarHBondContact NH2-O 3.38Å; L196-E200 HydrophobicContact CD1-CB 3.74Å; L196-E200 HydrophobicContact CG-CB 3.98Å; L196-E201 HydrophobicContact CD2-CB 3.82Å; L196-E201 HydrophobicContact CD2-CG 4.27Å; L196-E201 HydrophobicContact CG-CB 4.47Å; L196-Y204 HydrophobicContact CD1-CD2 4.27Å; L196-Y204 HydrophobicContact CD1-CE2 4.12Å; L196-W483 HydrophobicContact CD2-CD2 3.68Å; L196-W483 HydrophobicContact CD2-CE3 3.72Å; L196-W483 HydrophobicContact CD2-CG 4.23Å; L196-W483 HydrophobicContact CD2-CH2 4.31Å; L196-W483 HydrophobicContact CD2-CZ2 4.17Å; L196-W483 HydrophobicContact CD2-CZ3 4.07Å
197	Y	94.8	Very high	95	Very high	163 Å²	163	35.8 Å²	35.8	64%	0.639	18%	0.176	S	C	*	.	P	Polyproline II helix	trans	-69.5	152.3	170.3	-64.5	-66.6	0	0	0	110.4	R158 S199 E200 E201	R158-Y197 VanDerWaalsContact NH2-C 3.29Å; R158-Y197 PolarHBondContact NH2-O 3.04Å; R158-Y197 VanDerWaalsContact NH2-O 3.14Å; Y197-S199 VanDerWaalsContact C-N 3.32Å; Y197-S199 PolarHBondContact O-N 2.68Å; Y197-E200 WeakPolarHBondContact CB-OE2 3.28Å; Y197-E200 HydrophobicContact CD2-CG 4.46Å; Y197-E200 WeakPolarHBondContact CD2-OE2 3.27Å; Y197-E200 PolarHBondContact N-OE2 2.85Å; Y197-E200 WeakPolarHBondContact O-CB 3.42Å; Y197-E200 PolarHBondContact O-N 2.81Å; Y197-E201 PolarHBondContact O-N 2.96Å
198	G	94.8	Very high	95.5	Very high	14 Å²	14	31.1 Å²	31.1	14%	0.144	15%	0.154	C	C	.	.	H	α-helix	trans	-63.9	-38.6	-177.6	0	0	0	0	0	113.1	E201 G202 S273	G198-E201 WeakPolarHBondContact O-CB 3.42Å; G198-E201 PolarHBondContact O-N 2.89Å; G198-G202 PolarHBondContact O-N 2.87Å; G198-S273 VanDerWaalsContact O-CB 3.27Å; G198-S273 WeakPolarHBondContact O-CB 3Å
199	S	95	Very high	95.8	Very high	16 Å²	16	27.5 Å²	27.5	11%	0.112	13%	0.132	C	C	.	.	H	α-helix	trans	-64.6	-37.8	174.2	48.4	0	0	0	0	113	Y197 G202 L203 Y258 S271	Y197-S199 VanDerWaalsContact C-N 3.32Å; Y197-S199 PolarHBondContact O-N 2.68Å; S199-G202 PolarHBondContact O-N 2.68Å; S199-L203 VanDerWaalsContact O-CB 3.3Å; S199-L203 WeakPolarHBondContact O-CB 3.35Å; S199-L203 PolarHBondContact O-N 3.22Å; S199-Y258 WeakPolarHBondContact CB-OH 3.28Å; S199-Y258 PolarHBondContact OG-OH 2.84Å; S199-S271 WeakPolarHBondContact CB-O 3.47Å; S199-S271 WeakPolarHBondContact O-CB 3.45Å; S199-S271 PolarHBondContact O-OG 3.11Å
200	E	96.4	Very high	96	Very high	30 Å²	30	26.4 Å²	26.4	14%	0.14	13%	0.125	C	C	.	.	H	α-helix	trans	-63.3	-41.9	173.6	-69.5	179.4	114.4	0	0	111.6	R194 L196 Y197 G202 L203 Y204	R194-E200 IonicContact CZ-OE1 3.57Å; R194-E200 IonicContact CZ-OE2 3.22Å; R194-E200 IonicContact NH1-OE1 2.71Å; R194-E200 PolarHBondContact NH1-OE1 3.04Å; R194-E200 IonicContact NH1-OE2 2.74Å; R194-E200 PolarHBondContact NH1-OE2 2.97Å; R194-E200 IonicContact NH2-OE1 2.76Å; R194-E200 PolarHBondContact NH2-OE1 3.5Å; R194-E200 IonicContact NH2-OE2 3.93Å; L196-E200 HydrophobicContact CD1-CB 3.74Å; L196-E200 HydrophobicContact CG-CB 3.98Å; Y197-E200 WeakPolarHBondContact CB-OE2 3.28Å; Y197-E200 HydrophobicContact CD2-CG 4.46Å; Y197-E200 WeakPolarHBondContact CD2-OE2 3.27Å; Y197-E200 PolarHBondContact N-OE2 2.85Å; Y197-E200 WeakPolarHBondContact O-CB 3.42Å; Y197-E200 PolarHBondContact O-N 2.81Å; E200-G202 VanDerWaalsContact C-N 3.34Å; E200-G202 PolarHBondContact O-N 3.11Å; E200-L203 WeakPolarHBondContact O-CB 3.17Å; E200-L203 PolarHBondContact O-N 2.82Å; E200-L203 VanDerWaalsContact O-N 3.15Å; E200-Y204 HydrophobicContact CB-CD2 4.1Å; E200-Y204 HydrophobicContact CB-CE2 3.83Å; E200-Y204 HydrophobicContact CG-CE2 4.37Å; E200-Y204 WeakPolarHBondContact O-CB 3.46Å; E200-Y204 WeakPolarHBondContact O-CD2 3.24Å; E200-Y204 PolarHBondContact O-N 2.82Å
201	E	96.6	Very high	96.2	Very high	9 Å²	9	22.7 Å²	22.7	4%	0.042	10%	0.104	C	C	.	.	H	α-helix	trans	-57.1	-47.4	176.2	-171.1	178	174.4	0	0	111.5	T154 R158 L196 Y197 G198 G205 Q239 W483	T154-E201 HydrophobicContact CG2-CG 4.4Å; R158-E201 IonicContact CZ-OE2 3.53Å; R158-E201 IonicContact NH1-OE2 2.72Å; R158-E201 PolarHBondContact NH1-OE2 3.48Å; R158-E201 IonicContact NH2-OE2 2.72Å; R158-E201 PolarHBondContact NH2-OE2 3.27Å; L196-E201 HydrophobicContact CD2-CB 3.82Å; L196-E201 HydrophobicContact CD2-CG 4.27Å; L196-E201 HydrophobicContact CG-CB 4.47Å; Y197-E201 PolarHBondContact O-N 2.96Å; G198-E201 WeakPolarHBondContact O-CB 3.42Å; G198-E201 PolarHBondContact O-N 2.89Å; E201-G205 PolarHBondContact O-N 2.94Å; E201-Q239 PolarHBondContact OE1-NE2 2.95Å; E201-Q239 PolarHBondContact OE2-NE2 3.25Å; E201-W483 HydrophobicContact CG-CB 4.43Å; E201-W483 HydrophobicContact CG-CG 4.24Å
202	G	97.3	Very high	96.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.1	-40.2	174.5	0	0	0	0	0	113	G198 S199 E200 G205 W206 A241 S271	G198-G202 PolarHBondContact O-N 2.87Å; S199-G202 PolarHBondContact O-N 2.68Å; E200-G202 VanDerWaalsContact C-N 3.34Å; E200-G202 PolarHBondContact O-N 3.11Å; G202-G205 PolarHBondContact O-N 3.39Å; G202-W206 PolarHBondContact O-N 2.85Å; G202-A241 WeakPolarHBondContact O-CB 3.27Å; G202-S271 VanDerWaalsContact C-OG 3.25Å; G202-S271 WeakPolarHBondContact CA-OG 3.47Å
203	L	97.6	Very high	96.3	Very high	9 Å²	9	20.8 Å²	20.8	5%	0.047	10%	0.097	C	C	.	.	H	α-helix	trans	-62.8	-50.4	-179.5	178.5	66.5	0	0	0	110.4	S199 E200 G205 W206 V207 Y258 L260 V269 S271	S199-L203 VanDerWaalsContact O-CB 3.3Å; S199-L203 WeakPolarHBondContact O-CB 3.35Å; S199-L203 PolarHBondContact O-N 3.22Å; E200-L203 WeakPolarHBondContact O-CB 3.17Å; E200-L203 PolarHBondContact O-N 2.82Å; E200-L203 VanDerWaalsContact O-N 3.15Å; L203-G205 VanDerWaalsContact C-N 3.3Å; L203-G205 PolarHBondContact O-N 3.37Å; L203-W206 WeakPolarHBondContact O-CA 3.4Å; L203-W206 VanDerWaalsContact O-CB 3.32Å; L203-W206 WeakPolarHBondContact O-CB 3.49Å; L203-W206 PolarHBondContact O-N 2.95Å; L203-W206 VanDerWaalsContact O-N 3.08Å; L203-V207 WeakPolarHBondContact O-CG2 3.2Å; L203-V207 PolarHBondContact O-N 2.78Å; L203-Y258 HydrophobicContact CD2-CG 4.45Å; L203-L260 HydrophobicContact CD1-CD2 4.29Å; L203-V269 HydrophobicContact CD1-CB 3.56Å; L203-V269 HydrophobicContact CD1-CG1 3.82Å; L203-V269 HydrophobicContact CD1-CG2 3.92Å; L203-S271 PolarHBondContact N-OG 2.76Å
204	Y	97.8	Very high	96.2	Very high	14 Å²	14	22.2 Å²	22.2	6%	0.055	11%	0.112	C	C	.	.	H	α-helix	trans	-70.6	-27.4	178.7	-64.1	-48.4	0	0	0	112.5	L196 E200 V207 S208 W483 Y487 D490	L196-Y204 HydrophobicContact CD1-CD2 4.27Å; L196-Y204 HydrophobicContact CD1-CE2 4.12Å; E200-Y204 HydrophobicContact CB-CD2 4.1Å; E200-Y204 HydrophobicContact CB-CE2 3.83Å; E200-Y204 HydrophobicContact CG-CE2 4.37Å; E200-Y204 WeakPolarHBondContact O-CB 3.46Å; E200-Y204 WeakPolarHBondContact O-CD2 3.24Å; E200-Y204 PolarHBondContact O-N 2.82Å; Y204-V207 PolarHBondContact O-N 2.64Å; Y204-S208 WeakPolarHBondContact O-CB 3.44Å; Y204-S208 PolarHBondContact O-N 3.19Å; Y204-S208 PolarHBondContact O-OG 2.84Å; Y204-W483 WeakPolarHBondContact CB-O 2.99Å; Y204-Y487 AromaticContact CD2-CD2 3.84Å; Y204-Y487 HydrophobicContact CD2-CD2 3.84Å; Y204-Y487 HydrophobicContact CD2-CG 4.48Å; Y204-Y487 HydrophobicContact CE1-CD2 4.28Å; Y204-Y487 AromaticContact CE2-CD2 3.45Å; Y204-Y487 HydrophobicContact CE2-CD2 3.45Å; Y204-Y487 VanDerWaalsContact CE2-CD2 3.45Å; Y204-Y487 HydrophobicContact CE2-CE2 4.15Å; Y204-Y487 HydrophobicContact CE2-CG 4.46Å; Y204-Y487 HydrophobicContact CG-CD2 4.41Å; Y204-Y487 AromaticContact CZ-CD2 3.67Å; Y204-D490 HydrophobicContact CD1-CB 4.3Å; Y204-D490 HydrophobicContact CE1-CB 3.69Å; Y204-D490 VanDerWaalsContact CE1-OD2 3.28Å; Y204-D490 WeakPolarHBondContact CE1-OD2 3.39Å; Y204-D490 PolarHBondContact OH-OD2 2.81Å
205	G	96.9	Very high	96.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.1	-47.9	164.1	0	0	0	0	0	112.2	E201 G202 L203 V207 S208 V209 Y392	E201-G205 PolarHBondContact O-N 2.94Å; G202-G205 PolarHBondContact O-N 3.39Å; L203-G205 VanDerWaalsContact C-N 3.3Å; L203-G205 PolarHBondContact O-N 3.37Å; G205-V207 PolarHBondContact O-N 3.31Å; G205-S208 WeakPolarHBondContact O-CB 3.17Å; G205-S208 PolarHBondContact O-N 2.82Å; G205-V209 WeakPolarHBondContact O-CG2 3.34Å; G205-V209 PolarHBondContact O-N 3.5Å; G205-Y392 VanDerWaalsContact CA-OH 3.31Å; G205-Y392 WeakPolarHBondContact CA-OH 3.44Å
206	W	97.8	Very high	96.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.8	-41.5	175.7	179	93	0	0	0	113	G202 L203 S208 V209 N210 I216 T227 V228 A241 I243 L260 F267 V269	G202-W206 PolarHBondContact O-N 2.85Å; L203-W206 WeakPolarHBondContact O-CA 3.4Å; L203-W206 VanDerWaalsContact O-CB 3.32Å; L203-W206 WeakPolarHBondContact O-CB 3.49Å; L203-W206 PolarHBondContact O-N 2.95Å; L203-W206 VanDerWaalsContact O-N 3.08Å; W206-S208 VanDerWaalsContact C-N 3.32Å; W206-S208 PolarHBondContact O-N 3.48Å; W206-V209 PolarHBondContact O-N 3.29Å; W206-N210 VanDerWaalsContact CE2-ND2 3.27Å; W206-N210 PolarHBondContact NE1-ND2 2.93Å; W206-N210 PolarHBondContact O-N 3.03Å; W206-N210 VanDerWaalsContact O-N 3.14Å; W206-N210 PolarHBondContact O-ND2 3.3Å; W206-I216 HydrophobicContact CH2-CD1 3.59Å; W206-I216 HydrophobicContact CZ2-CD1 4.47Å; W206-I216 HydrophobicContact CZ3-CD1 3.72Å; W206-T227 HydrophobicContact CH2-CG2 4.15Å; W206-T227 HydrophobicContact CZ2-CG2 3.67Å; W206-V228 VanDerWaalsContact CD1-O 3.27Å; W206-V228 PolarHBondContact NE1-O 2.95Å; W206-A241 HydrophobicContact CB-CB 3.84Å; W206-I243 HydrophobicContact CH2-CD1 4.02Å; W206-I243 HydrophobicContact CZ2-CD1 3.6Å; W206-I243 HydrophobicContact CZ2-CG1 3.92Å; W206-L260 HydrophobicContact CE3-CD2 4.41Å; W206-L260 HydrophobicContact CZ3-CD2 4.08Å; W206-F267 HydrophobicContact CH2-CB 4.22Å; W206-F267 AromaticContact CH2-CD1 3.89Å; W206-F267 HydrophobicContact CH2-CD1 3.89Å; W206-F267 HydrophobicContact CH2-CD2 4.13Å; W206-F267 HydrophobicContact CH2-CE1 4.26Å; W206-F267 HydrophobicContact CH2-CE2 4.48Å; W206-F267 AromaticContact CH2-CG 3.81Å; W206-F267 HydrophobicContact CH2-CG 3.81Å; W206-F267 HydrophobicContact CZ3-CD2 4.36Å; W206-F267 HydrophobicContact CZ3-CG 4.36Å; W206-V269 HydrophobicContact CB-CG1 4.47Å; W206-V269 HydrophobicContact CD2-CG1 4.1Å; W206-V269 HydrophobicContact CD2-CG2 4.04Å; W206-V269 HydrophobicContact CE3-CG2 3.83Å; W206-V269 HydrophobicContact CG-CG1 4.08Å; W206-V269 HydrophobicContact CH2-CG2 3.95Å; W206-V269 HydrophobicContact CZ2-CG2 4.12Å; W206-V269 HydrophobicContact CZ3-CG2 3.8Å
207	V	97.5	Very high	96	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58	-48	173.6	177.1	0	0	0	0	110.6	L203 Y204 G205 V209 N210 Y211 L260 L262 L489	L203-V207 WeakPolarHBondContact O-CG2 3.2Å; L203-V207 PolarHBondContact O-N 2.78Å; Y204-V207 PolarHBondContact O-N 2.64Å; G205-V207 PolarHBondContact O-N 3.31Å; V207-V209 PolarHBondContact O-N 3.2Å; V207-N210 PolarHBondContact O-N 2.92Å; V207-Y211 WeakPolarHBondContact O-CB 3.36Å; V207-Y211 PolarHBondContact O-N 3.29Å; V207-L260 HydrophobicContact CG2-CD2 3.34Å; V207-L262 HydrophobicContact CB-CD1 4.31Å; V207-L262 HydrophobicContact CG1-CD1 3.64Å; V207-L262 HydrophobicContact CG2-CD1 3.9Å; V207-L489 HydrophobicContact CG1-CB 4.26Å; V207-L489 HydrophobicContact CG1-CD1 4.44Å; V207-L489 HydrophobicContact CG1-CD2 3.88Å; V207-L489 HydrophobicContact CG1-CG 4.43Å
208	S	96.5	Very high	95.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.6	-46.1	-178	-56.2	0	0	0	0	112.1	Y204 G205 W206 Y211 I212 S482 G486	Y204-S208 WeakPolarHBondContact O-CB 3.44Å; Y204-S208 PolarHBondContact O-N 3.19Å; Y204-S208 PolarHBondContact O-OG 2.84Å; G205-S208 WeakPolarHBondContact O-CB 3.17Å; G205-S208 PolarHBondContact O-N 2.82Å; W206-S208 VanDerWaalsContact C-N 3.32Å; W206-S208 PolarHBondContact O-N 3.48Å; S208-Y211 PolarHBondContact O-N 3.37Å; S208-I212 WeakPolarHBondContact O-CB 3.47Å; S208-I212 WeakPolarHBondContact O-CD1 3.31Å; S208-I212 WeakPolarHBondContact O-CG1 3.12Å; S208-I212 PolarHBondContact O-N 3.21Å; S208-S482 WeakPolarHBondContact CB-O 3.25Å; S208-S482 PolarHBondContact OG-O 2.76Å; S208-G486 VanDerWaalsContact OG-CA 3.24Å; S208-G486 WeakPolarHBondContact OG-CA 3.41Å; S208-G486 PolarHBondContact OG-N 3.05Å
209	V	96.8	Very high	95.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-56.9	-53.1	177	168.4	0	0	0	0	110.8	G205 W206 V207 Y211 I212 L213 V228 M390 Y392 V481	G205-V209 WeakPolarHBondContact O-CG2 3.34Å; G205-V209 PolarHBondContact O-N 3.5Å; W206-V209 PolarHBondContact O-N 3.29Å; V207-V209 PolarHBondContact O-N 3.2Å; V209-Y211 VanDerWaalsContact C-N 3.33Å; V209-Y211 PolarHBondContact O-N 3.29Å; V209-I212 PolarHBondContact O-N 2.87Å; V209-L213 HydrophobicContact CG1-CD1 3.75Å; V209-L213 WeakPolarHBondContact O-CB 3.49Å; V209-L213 VanDerWaalsContact O-CG 3.25Å; V209-L213 WeakPolarHBondContact O-CG 3.43Å; V209-L213 PolarHBondContact O-N 2.91Å; V209-V228 HydrophobicContact CG1-CB 3.97Å; V209-V228 HydrophobicContact CG1-CG1 3.77Å; V209-M390 HydrophobicContact CG1-CB 3.71Å; V209-M390 HydrophobicContact CG1-CG 4.3Å; V209-M390 HydrophobicContact CG2-CB 3.96Å; V209-M390 HydrophobicContact CG2-CG 4.09Å; V209-Y392 HydrophobicContact CG2-CE1 4.06Å; V209-V481 HydrophobicContact CG2-CG1 3.62Å
210	N	96.8	Very high	95.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-71.3	-29.7	-174.9	-74.5	-78.1	0	0	0	113.2	W206 V207 G214 I215 I216 T227 V228	W206-N210 VanDerWaalsContact CE2-ND2 3.27Å; W206-N210 PolarHBondContact NE1-ND2 2.93Å; W206-N210 PolarHBondContact O-N 3.03Å; W206-N210 VanDerWaalsContact O-N 3.14Å; W206-N210 PolarHBondContact O-ND2 3.3Å; V207-N210 PolarHBondContact O-N 2.92Å; N210-G214 PolarHBondContact O-N 2.76Å; N210-I215 HydrophobicContact CB-CB 4.45Å; N210-I215 PolarHBondContact O-N 2.8Å; N210-I216 HydrophobicContact CB-CB 4.4Å; N210-I216 HydrophobicContact CB-CD1 3.59Å; N210-I216 HydrophobicContact CB-CG1 3.9Å; N210-I216 PolarHBondContact O-N 2.86Å; N210-I216 VanDerWaalsContact O-N 3.15Å; N210-T227 VanDerWaalsContact OD1-CA 3.27Å; N210-T227 WeakPolarHBondContact OD1-CA 3.37Å; N210-T227 WeakPolarHBondContact OD1-CB 3.5Å; N210-V228 PolarHBondContact ND2-O 2.82Å; N210-V228 PolarHBondContact OD1-N 2.99Å
211	Y	95.8	Very high	95.4	Very high	23 Å²	23	33.6 Å²	33.6	9%	0.09	19%	0.186	C	C	.	.	H	α-helix	trans	-70	-49.7	173.7	178.7	-117.7	0	0	0	111.9	K101 V102 V207 S208 V209 L213 G214 Y263 L485 L489	K101-Y211 WeakPolarHBondContact CG-OH 3.23Å; V102-Y211 PolarHBondContact N-OH 2.88Å; V102-Y211 VanDerWaalsContact N-OH 3.12Å; V102-Y211 WeakPolarHBondContact O-CE1 3.15Å; V102-Y211 PolarHBondContact O-OH 3.05Å; V207-Y211 WeakPolarHBondContact O-CB 3.36Å; V207-Y211 PolarHBondContact O-N 3.29Å; S208-Y211 PolarHBondContact O-N 3.37Å; V209-Y211 VanDerWaalsContact C-N 3.33Å; V209-Y211 PolarHBondContact O-N 3.29Å; Y211-L213 VanDerWaalsContact C-N 3.28Å; Y211-L213 PolarHBondContact O-N 2.93Å; Y211-G214 PolarHBondContact O-N 3.43Å; Y211-Y263 HydrophobicContact CD2-CE2 4.28Å; Y211-Y263 HydrophobicContact CE2-CE2 4.2Å; Y211-L485 HydrophobicContact CD1-CD1 4.46Å; Y211-L485 HydrophobicContact CD1-CD2 3.94Å; Y211-L485 HydrophobicContact CD1-CG 4.2Å; Y211-L485 HydrophobicContact CE1-CD1 4.29Å; Y211-L485 HydrophobicContact CE1-CD2 4.34Å; Y211-L489 HydrophobicContact CD1-CD1 3.72Å; Y211-L489 HydrophobicContact CD2-CD1 3.14Å; Y211-L489 HydrophobicContact CE1-CD1 4.06Å; Y211-L489 HydrophobicContact CE2-CD1 3.53Å; Y211-L489 HydrophobicContact CG-CD1 3.24Å
212	I	95	Very high	95.3	Very high	12 Å²	12	33.4 Å²	33.4	6%	0.062	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-34.4	-178.8	-61.5	163.1	0	0	0	111.3	S208 V209 G214 V476 N477 K479 V481 L485	S208-I212 WeakPolarHBondContact O-CB 3.47Å; S208-I212 WeakPolarHBondContact O-CD1 3.31Å; S208-I212 WeakPolarHBondContact O-CG1 3.12Å; S208-I212 PolarHBondContact O-N 3.21Å; V209-I212 PolarHBondContact O-N 2.87Å; I212-G214 PolarHBondContact O-N 3.47Å; I212-V476 HydrophobicContact CB-CB 4.41Å; I212-V476 HydrophobicContact CG2-CB 3.55Å; I212-V476 HydrophobicContact CG2-CG1 3.69Å; I212-V476 WeakPolarHBondContact CG2-O 3.3Å; I212-N477 PolarHBondContact O-ND2 3.11Å; I212-K479 HydrophobicContact CD1-CB 4.26Å; I212-K479 HydrophobicContact CG1-CB 4.39Å; I212-K479 HydrophobicContact CG2-CB 4.03Å; I212-K479 HydrophobicContact CG2-CD 4.39Å; I212-V481 HydrophobicContact CD1-CG2 4.09Å; I212-L485 HydrophobicContact CD1-CD2 3.78Å; I212-L485 HydrophobicContact CG1-CD2 3.64Å
213	L	95	Very high	95	Very high	67 Å²	67	37.8 Å²	37.8	35%	0.351	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-7.2	173.6	-71.2	170.7	0	0	0	113.5	V209 Y211 I215 V228 V476	V209-L213 HydrophobicContact CG1-CD1 3.75Å; V209-L213 WeakPolarHBondContact O-CB 3.49Å; V209-L213 VanDerWaalsContact O-CG 3.25Å; V209-L213 WeakPolarHBondContact O-CG 3.43Å; V209-L213 PolarHBondContact O-N 2.91Å; Y211-L213 VanDerWaalsContact C-N 3.28Å; Y211-L213 PolarHBondContact O-N 2.93Å; L213-I215 HydrophobicContact CB-CD1 3.84Å; L213-I215 HydrophobicContact CB-CG1 3.94Å; L213-I215 HydrophobicContact CD1-CD1 3.87Å; L213-I215 PolarHBondContact O-N 2.82Å; L213-V228 HydrophobicContact CD1-CB 3.89Å; L213-V228 HydrophobicContact CD1-CG1 4.11Å; L213-V228 HydrophobicContact CD1-CG2 3.77Å; L213-V476 HydrophobicContact CD2-CG1 3.57Å; L213-V476 HydrophobicContact CG-CG1 4.15Å
214	G	94.3	Very high	94.5	Very high	30 Å²	30	40.3 Å²	40.3	31%	0.309	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	18.3	-177.2	0	0	0	0	0	113.7	N210 Y211 I212	N210-G214 PolarHBondContact O-N 2.76Å; Y211-G214 PolarHBondContact O-N 3.43Å; I212-G214 PolarHBondContact O-N 3.47Å
215	I	95.7	Very high	94.1	Very high	25 Å²	25	43.3 Å²	43.3	13%	0.128	25%	0.249	C	C	.	.	S	Bend	trans	-71.8	-51.9	175.8	-65.5	167	0	0	0	108.6	N210 L213 K220 T222 T227 V228	N210-I215 HydrophobicContact CB-CB 4.45Å; N210-I215 PolarHBondContact O-N 2.8Å; L213-I215 HydrophobicContact CB-CD1 3.84Å; L213-I215 HydrophobicContact CB-CG1 3.94Å; L213-I215 HydrophobicContact CD1-CD1 3.87Å; L213-I215 PolarHBondContact O-N 2.82Å; I215-K220 PolarHBondContact O-NZ 3.18Å; I215-T222 HydrophobicContact CG2-CG2 3.8Å; I215-T222 PolarHBondContact O-OG1 2.91Å; I215-T227 HydrophobicContact CG2-CG2 4.38Å; I215-V228 HydrophobicContact CD1-CB 4.25Å; I215-V228 HydrophobicContact CD1-CG2 3.53Å
216	I	94.7	Very high	94	Very high	1 Å²	1	47 Å²	47	1%	0.005	27%	0.269	C	S	.	.	S	Bend	trans	-96.7	112.8	174.5	-64.2	173.8	0	0	0	108.2	W206 N210 T222 L262 Y263 F267	W206-I216 HydrophobicContact CH2-CD1 3.59Å; W206-I216 HydrophobicContact CZ2-CD1 4.47Å; W206-I216 HydrophobicContact CZ3-CD1 3.72Å; N210-I216 HydrophobicContact CB-CB 4.4Å; N210-I216 HydrophobicContact CB-CD1 3.59Å; N210-I216 HydrophobicContact CB-CG1 3.9Å; N210-I216 PolarHBondContact O-N 2.86Å; N210-I216 VanDerWaalsContact O-N 3.15Å; I216-T222 HydrophobicContact CG1-CG2 4.29Å; I216-L262 HydrophobicContact CD1-CD1 4.13Å; I216-L262 HydrophobicContact CG2-CB 3.92Å; I216-L262 HydrophobicContact CG2-CD1 4.1Å; I216-Y263 HydrophobicContact CG2-CD2 3.88Å; I216-Y263 HydrophobicContact CG2-CE2 4.47Å; I216-F267 HydrophobicContact CD1-CE1 4.46Å; I216-F267 HydrophobicContact CD1-CE2 3.79Å; I216-F267 HydrophobicContact CD1-CZ 3.75Å; I216-F267 HydrophobicContact CG1-CE2 4.3Å; I216-F267 HydrophobicContact CG1-CZ 3.92Å
217	K	93.5	Very high	93.9	Very high	110 Å²	110	47.5 Å²	47.5	48%	0.478	27%	0.272	S	S	.	.			trans	-152.4	159.5	178.9	62.1	178.8	-179.4	177.2	0	110.7	K220	K217-K220 HydrophobicContact CG-CB 3.89Å; K217-K220 HydrophobicContact CG-CD 4.07Å; K217-K220 PolarHBondContact O-N 2.71Å
218	E	90.4	Very high	93.9	Very high	103 Å²	103	48.2 Å²	48.2	48%	0.481	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	142	177.9	-170.7	169.7	-151.7	0	0	112.7	K220 Y263	E218-K220 PolarHBondContact O-N 3.4Å; E218-Y263 HydrophobicContact CB-CD1 3.75Å; E218-Y263 HydrophobicContact CB-CE1 3.94Å; E218-Y263 HydrophobicContact CB-CG 4.31Å; E218-Y263 HydrophobicContact CG-CD1 4.23Å
219	G	90.1	Very high	94	Very high	84 Å²	84	48.3 Å²	48.3	87%	0.866	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	4	178.4	0	0	0	0	0	115.3
220	K	93.1	Very high	94.1	Very high	72 Å²	72	48.3 Å²	48.3	31%	0.313	28%	0.277	S	S	.	.			trans	-113	119.3	179.1	-176.8	-177.3	170.5	-153.9	0	111.4	I215 K217 E218 T222 N265	I215-K220 PolarHBondContact O-NZ 3.18Å; K217-K220 HydrophobicContact CG-CB 3.89Å; K217-K220 HydrophobicContact CG-CD 4.07Å; K217-K220 PolarHBondContact O-N 2.71Å; E218-K220 PolarHBondContact O-N 3.4Å; K220-T222 PolarHBondContact O-N 3Å; K220-N265 PolarHBondContact O-ND2 3.12Å; K220-N265 PolarHBondContact O-OD1 3Å
221	Q	94.2	Very high	94.1	Very high	147 Å²	147	48.3 Å²	48.3	69%	0.687	28%	0.277	S	S	*	.			trans	-70.1	125.9	163.8	-168.4	64.2	37	0	0	109.2	N265	Q221-N265 WeakPolarHBondContact CA-OD1 3.42Å; Q221-N265 PolarHBondContact NE2-OD1 2.72Å
222	T	93.9	Very high	94.2	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.025	28%	0.276	C	S	.	.			trans	-114.3	124.3	-174.6	-57.7	0	0	0	0	109.7	I215 I216 K220 T227 N265 F267	I215-T222 HydrophobicContact CG2-CG2 3.8Å; I215-T222 PolarHBondContact O-OG1 2.91Å; I216-T222 HydrophobicContact CG1-CG2 4.29Å; K220-T222 PolarHBondContact O-N 3Å; T222-T227 HydrophobicContact CG2-CG2 4.05Å; T222-N265 PolarHBondContact N-OD1 2.84Å; T222-F267 HydrophobicContact CG2-CE1 4.31Å; T222-F267 HydrophobicContact CG2-CZ 4.31Å
223	N	91.4	Very high	94.3	Very high	92 Å²	92	47.3 Å²	47.3	49%	0.492	27%	0.274	S	S	.	.			trans	-75.6	140.4	172.3	-58.1	-56	0	0	0	109.6	S225 D226	N223-S225 PolarHBondContact O-N 2.77Å; N223-S225 VanDerWaalsContact O-N 3.14Å; N223-D226 WeakPolarHBondContact CB-OD2 3.47Å; N223-D226 PolarHBondContact ND2-OD2 3.41Å; N223-D226 WeakPolarHBondContact O-CB 3.31Å; N223-D226 PolarHBondContact O-N 3.08Å
224	P	87	Confident	94.3	Very high	63 Å²	63	45.2 Å²	45.2	41%	0.409	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-55.4	-33.1	176.9	-28.1	35.2	0	0	0	114.3	D226 T227 I243	P224-D226 PolarHBondContact O-N 2.85Å; P224-T227 PolarHBondContact O-N 3.25Å; P224-T227 PolarHBondContact O-OG1 2.88Å; P224-I243 HydrophobicContact CB-CB 4.46Å; P224-I243 HydrophobicContact CB-CD1 3.9Å; P224-I243 HydrophobicContact CB-CG2 3.79Å
225	S	89.6	Confident	94.2	Very high	76 Å²	76	44.2 Å²	44.2	53%	0.531	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-67.2	-19.4	177.2	54.5	0	0	0	0	114.7	N223 T227	N223-S225 PolarHBondContact O-N 2.77Å; N223-S225 VanDerWaalsContact O-N 3.14Å; S225-T227 VanDerWaalsContact C-N 3.31Å
226	D	94.1	Very high	94.2	Very high	78 Å²	78	43.1 Å²	43.1	42%	0.417	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-86.9	-10.2	-178.2	-58	-19.2	0	0	0	111.6	N223 P224	N223-D226 WeakPolarHBondContact CB-OD2 3.47Å; N223-D226 PolarHBondContact ND2-OD2 3.41Å; N223-D226 WeakPolarHBondContact O-CB 3.31Å; N223-D226 PolarHBondContact O-N 3.08Å; P224-D226 PolarHBondContact O-N 2.85Å
227	T	97	Very high	94.4	Very high	11 Å²	11	43.1 Å²	43.1	7%	0.067	25%	0.253	C	S	.	.			trans	-77.1	154.7	-178.8	69.5	0	0	0	0	112.1	W206 N210 I215 T222 P224 S225 I243 F267	W206-T227 HydrophobicContact CH2-CG2 4.15Å; W206-T227 HydrophobicContact CZ2-CG2 3.67Å; N210-T227 VanDerWaalsContact OD1-CA 3.27Å; N210-T227 WeakPolarHBondContact OD1-CA 3.37Å; N210-T227 WeakPolarHBondContact OD1-CB 3.5Å; I215-T227 HydrophobicContact CG2-CG2 4.38Å; T222-T227 HydrophobicContact CG2-CG2 4.05Å; P224-T227 PolarHBondContact O-N 3.25Å; P224-T227 PolarHBondContact O-OG1 2.88Å; S225-T227 VanDerWaalsContact C-N 3.31Å; T227-I243 HydrophobicContact CG2-CD1 4.37Å; T227-F267 HydrophobicContact CG2-CE1 4.22Å
228	V	97.7	Very high	94.6	Very high	15 Å²	15	37.9 Å²	37.9	9%	0.091	23%	0.23	C	C	.	.			trans	-107.9	129.2	179.7	175.9	0	0	0	0	108.8	W206 V209 N210 L213 I215 K388 M390	W206-V228 VanDerWaalsContact CD1-O 3.27Å; W206-V228 PolarHBondContact NE1-O 2.95Å; V209-V228 HydrophobicContact CG1-CB 3.97Å; V209-V228 HydrophobicContact CG1-CG1 3.77Å; N210-V228 PolarHBondContact ND2-O 2.82Å; N210-V228 PolarHBondContact OD1-N 2.99Å; L213-V228 HydrophobicContact CD1-CB 3.89Å; L213-V228 HydrophobicContact CD1-CG1 4.11Å; L213-V228 HydrophobicContact CD1-CG2 3.77Å; I215-V228 HydrophobicContact CD1-CB 4.25Å; I215-V228 HydrophobicContact CD1-CG2 3.53Å; V228-K388 CarbonylContact C-O 3.04Å; V228-K388 WeakPolarHBondContact CA-O 3.4Å; V228-K388 HydrophobicContact CG1-CB 4.37Å; V228-K388 HydrophobicContact CG2-CB 4.14Å; V228-M390 HydrophobicContact CG1-CB 4.07Å
229	G	98	Very high	95	Very high	2 Å²	2	33 Å²	33	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	155.4	174	0	0	0	0	0	112.5	A241 K388 F389 M390	G229-A241 CarbonylContact C-O 3.51Å; G229-A241 VanDerWaalsContact CA-O 3.25Å; G229-A241 WeakPolarHBondContact CA-O 3.49Å; G229-K388 PolarHBondContact N-O 3.28Å; G229-F389 CarbonylContact O-C 3.59Å; G229-F389 WeakPolarHBondContact O-CA 3.5Å; G229-M390 PolarHBondContact O-N 3.06Å
230	S	98	Very high	95.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.5	179.5	166.5	0	0	0	0	109.9	I240 A241 Y392	S230-I240 WeakPolarHBondContact O-CA 3.42Å; S230-A241 PolarHBondContact N-O 3.45Å; S230-A241 PolarHBondContact O-N 2.99Å; S230-Y392 VanDerWaalsContact OG-CE1 3.28Å; S230-Y392 WeakPolarHBondContact OG-CE1 3.38Å; S230-Y392 PolarHBondContact OG-OH 2.71Å
231	L	98.4	Very high	95.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	109.4	172.1	-60.8	168.3	0	0	0	108.3	Q239 I240 F389 M390 A391 Y392 F395 L456 Y459 F461 I470	L231-Q239 WeakPolarHBondContact CA-O 3.33Å; L231-I240 HydrophobicContact CD2-CB 3.89Å; L231-I240 HydrophobicContact CD2-CD1 3.85Å; L231-I240 HydrophobicContact CD2-CG1 3.67Å; L231-F389 HydrophobicContact CD1-CB 3.92Å; L231-F389 HydrophobicContact CD1-CD1 4.09Å; L231-F389 HydrophobicContact CD1-CG 4.29Å; L231-F389 HydrophobicContact CD2-CD1 4.15Å; L231-F389 HydrophobicContact CG-CB 4.38Å; L231-F389 HydrophobicContact CG-CD1 3.87Å; L231-M390 PolarHBondContact N-O 3.17Å; L231-A391 HydrophobicContact CB-CB 3.99Å; L231-A391 HydrophobicContact CD1-CB 4.15Å; L231-A391 WeakPolarHBondContact O-CA 3.32Å; L231-Y392 WeakPolarHBondContact O-CD1 3.27Å; L231-Y392 WeakPolarHBondContact O-CE1 3Å; L231-Y392 PolarHBondContact O-N 3.12Å; L231-F395 HydrophobicContact CB-CD2 4.1Å; L231-F395 HydrophobicContact CB-CE2 3.81Å; L231-L456 HydrophobicContact CD1-CD2 3.83Å; L231-Y459 HydrophobicContact CD2-CD2 3.96Å; L231-Y459 HydrophobicContact CD2-CE2 4.11Å; L231-F461 HydrophobicContact CD1-CE2 4.07Å; L231-F461 HydrophobicContact CD1-CZ 4.22Å; L231-F461 HydrophobicContact CD2-CE2 4.3Å; L231-I470 HydrophobicContact CD1-CG2 4.35Å
232	D	97.1	Very high	95.8	Very high	11 Å²	11	18.7 Å²	18.7	6%	0.059	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.7	176.9	-166.8	6.2	0	0	0	109.8	T238 Q239 Y392 S393	D232-T238 CarbonylContact O-C 3.57Å; D232-T238 WeakPolarHBondContact O-CA 3.33Å; D232-T238 PolarHBondContact O-OG1 3.39Å; D232-Q239 HydrophobicContact CB-CB 4.32Å; D232-Q239 PolarHBondContact N-O 3.39Å; D232-Q239 PolarHBondContact O-N 3.1Å; D232-Q239 PolarHBondContact O-OE1 3.2Å; D232-Y392 HydrophobicContact CB-CD2 4.43Å; D232-Y392 HydrophobicContact CB-CE1 4.34Å; D232-Y392 HydrophobicContact CB-CE2 3.64Å; D232-Y392 WeakPolarHBondContact OD1-CE2 3.16Å; D232-S393 WeakPolarHBondContact OD1-CB 3.37Å; D232-S393 PolarHBondContact OD1-OG 2.71Å
233	L	96.8	Very high	95.8	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.016	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	93.8	172.8	179.2	58.3	0	0	0	108.9	K279 S393 G394 F395 Y451 I452 L455	L233-K279 HydrophobicContact CD1-CB 4.36Å; L233-K279 HydrophobicContact CD2-CB 4.41Å; L233-K279 HydrophobicContact CG-CB 4.19Å; L233-S393 VanDerWaalsContact O-CB 3.3Å; L233-S393 WeakPolarHBondContact O-CB 3.43Å; L233-G394 VanDerWaalsContact O-CA 3.31Å; L233-G394 WeakPolarHBondContact O-CA 3.38Å; L233-G394 PolarHBondContact O-N 3.1Å; L233-F395 HydrophobicContact CB-CD1 4.38Å; L233-F395 HydrophobicContact CB-CD2 3.4Å; L233-F395 VanDerWaalsContact CB-CD2 3.4Å; L233-F395 HydrophobicContact CB-CE1 4.43Å; L233-F395 HydrophobicContact CB-CE2 3.47Å; L233-F395 VanDerWaalsContact CB-CE2 3.47Å; L233-F395 HydrophobicContact CB-CG 3.89Å; L233-F395 HydrophobicContact CB-CZ 3.99Å; L233-F395 HydrophobicContact CD2-CD1 4.18Å; L233-F395 HydrophobicContact CD2-CE1 4.23Å; L233-F395 HydrophobicContact CD2-CG 4.36Å; L233-F395 HydrophobicContact CD2-CZ 4.49Å; L233-Y451 HydrophobicContact CD1-CE1 4.1Å; L233-Y451 HydrophobicContact CD2-CE1 4.43Å; L233-I452 HydrophobicContact CD2-CG1 4.03Å; L233-L455 HydrophobicContact CD1-CD2 4.25Å
234	G	94.4	Very high	95.9	Very high	22 Å²	22	14.9 Å²	14.9	23%	0.227	10%	0.098	C	C	.	.			trans	-80.7	-172.3	175.6	0	0	0	0	0	113.2	S237 G278 K279	G234-S237 CarbonylContact C-O 3.57Å; G234-S237 WeakPolarHBondContact CA-O 3.48Å; G234-S237 PolarHBondContact N-O 3.2Å; G234-G278 CarbonylContact O-C 3.54Å; G234-G278 WeakPolarHBondContact O-CA 3.28Å; G234-K279 PolarHBondContact O-N 3.47Å
235	G	93.4	Very high	96	Very high	10 Å²	10	19.2 Å²	19.2	10%	0.103	11%	0.111	C	C	.	.	S	Bend	trans	-74	-41.9	176	0	0	0	0	0	112.9	G278 K279 S280 E281	G235-G278 CarbonylContact O-C 3.55Å; G235-G278 WeakPolarHBondContact O-CA 3.34Å; G235-K279 PolarHBondContact O-N 3.04Å; G235-S280 WeakPolarHBondContact O-CA 3.39Å; G235-S280 WeakPolarHBondContact O-CB 3.4Å; G235-S280 PolarHBondContact O-N 3.03Å; G235-E281 PolarHBondContact O-N 3.19Å; G235-E281 VanDerWaalsContact O-N 3.07Å
236	A	96	Very high	95.7	Very high	2 Å²	2	21 Å²	21	2%	0.017	12%	0.118	C	C	.	.	S	Bend	trans	-109.4	-19.5	-173.7	0	0	0	0	0	115.2	A155 L159 C276 G278 E281	A155-A236 HydrophobicContact CB-CB 3.61Å; L159-A236 HydrophobicContact CD1-CB 3.73Å; A236-C276 WeakPolarHBondContact O-CA 3.28Å; A236-C276 PolarHBondContact O-N 3.35Å; A236-G278 VanDerWaalsContact C-CA 3.48Å; A236-G278 PolarHBondContact O-N 3.45Å; A236-E281 HydrophobicContact CB-CG 3.99Å
237	S	97.5	Very high	94.9	Very high	1 Å²	1	21 Å²	21	1%	0.007	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	169.3	174.1	60.8	0	0	0	0	112.1	A155 G234 Q239 F274 G278	A155-S237 WeakPolarHBondContact CB-OG 3.47Å; G234-S237 CarbonylContact C-O 3.57Å; G234-S237 WeakPolarHBondContact CA-O 3.48Å; G234-S237 PolarHBondContact N-O 3.2Å; S237-Q239 PolarHBondContact OG-NE2 2.83Å; S237-F274 VanDerWaalsContact CA-O 3.24Å; S237-F274 WeakPolarHBondContact CA-O 3.17Å; S237-F274 WeakPolarHBondContact CB-O 3.21Å; S237-G278 VanDerWaalsContact N-CA 3.31Å; S237-G278 WeakPolarHBondContact O-CA 3.4Å
238	T	98.2	Very high	93.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.7	170.8	176.8	0	0	0	0	109.4	D232 S273 F274 Y277 L455 Y459	D232-T238 CarbonylContact O-C 3.57Å; D232-T238 WeakPolarHBondContact O-CA 3.33Å; D232-T238 PolarHBondContact O-OG1 3.39Å; T238-S273 CarbonylContact O-C 3.36Å; T238-S273 WeakPolarHBondContact O-CA 3.29Å; T238-F274 HydrophobicContact CG2-CB 3.87Å; T238-F274 HydrophobicContact CG2-CD2 4.34Å; T238-F274 PolarHBondContact N-O 3Å; T238-F274 PolarHBondContact O-N 3.08Å; T238-Y277 WeakPolarHBondContact CB-O 3.37Å; T238-Y277 VanDerWaalsContact CG2-O 3.23Å; T238-Y277 WeakPolarHBondContact CG2-O 3.17Å; T238-L455 HydrophobicContact CG2-CD1 4.22Å; T238-L455 HydrophobicContact CG2-CD2 4.04Å; T238-Y459 WeakPolarHBondContact CG2-OH 3.38Å; T238-Y459 PolarHBondContact OG1-OH 3.29Å
239	Q	98.1	Very high	92.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	143.3	-174.8	-64.1	81.7	1.6	0	0	111.2	E201 L231 D232 S237 H272 S273	E201-Q239 PolarHBondContact OE1-NE2 2.95Å; E201-Q239 PolarHBondContact OE2-NE2 3.25Å; L231-Q239 WeakPolarHBondContact CA-O 3.33Å; D232-Q239 HydrophobicContact CB-CB 4.32Å; D232-Q239 PolarHBondContact N-O 3.39Å; D232-Q239 PolarHBondContact O-N 3.1Å; D232-Q239 PolarHBondContact O-OE1 3.2Å; S237-Q239 PolarHBondContact OG-NE2 2.83Å; Q239-H272 WeakPolarHBondContact CA-O 3.47Å; Q239-S273 PolarHBondContact NE2-OG 3.02Å
240	I	98.4	Very high	91	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.5	169.2	179.3	166.1	0	0	0	108.3	S230 L231 F242 Y270 S271 H272 F274 F389 Y459 F461	S230-I240 WeakPolarHBondContact O-CA 3.42Å; L231-I240 HydrophobicContact CD2-CB 3.89Å; L231-I240 HydrophobicContact CD2-CD1 3.85Å; L231-I240 HydrophobicContact CD2-CG1 3.67Å; I240-F242 HydrophobicContact CD1-CD1 4.18Å; I240-F242 HydrophobicContact CD1-CE1 3.94Å; I240-F242 HydrophobicContact CG1-CD1 3.83Å; I240-F242 HydrophobicContact CG1-CE1 3.97Å; I240-Y270 HydrophobicContact CG2-CE1 4.25Å; I240-S271 WeakPolarHBondContact O-CA 3.27Å; I240-H272 PolarHBondContact N-O 2.81Å; I240-H272 VanDerWaalsContact N-O 3.1Å; I240-H272 PolarHBondContact O-N 3Å; I240-F274 HydrophobicContact CG2-CE2 4.11Å; I240-F389 HydrophobicContact CD1-CE1 4.41Å; I240-F389 HydrophobicContact CG1-CE1 4.36Å; I240-Y459 HydrophobicContact CB-CD2 4.43Å; I240-Y459 HydrophobicContact CB-CE2 4.18Å; I240-Y459 HydrophobicContact CD1-CD1 4.5Å; I240-Y459 HydrophobicContact CD1-CD2 4.15Å; I240-Y459 HydrophobicContact CD1-CG 4.02Å; I240-Y459 HydrophobicContact CG2-CD1 4.35Å; I240-Y459 HydrophobicContact CG2-CE1 4.06Å; I240-F461 HydrophobicContact CD1-CE2 4.44Å
241	A	98.2	Very high	89.4	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	129.1	177.6	0	0	0	0	0	111.8	G202 W206 G229 S230 V269 Y270	G202-A241 WeakPolarHBondContact O-CB 3.27Å; W206-A241 HydrophobicContact CB-CB 3.84Å; G229-A241 CarbonylContact C-O 3.51Å; G229-A241 VanDerWaalsContact CA-O 3.25Å; G229-A241 WeakPolarHBondContact CA-O 3.49Å; S230-A241 PolarHBondContact N-O 3.45Å; S230-A241 PolarHBondContact O-N 2.99Å; A241-V269 HydrophobicContact CB-CG1 4.32Å; A241-Y270 CarbonylContact C-O 3.56Å; A241-Y270 WeakPolarHBondContact CA-O 3.44Å
242	F	97.8	Very high	87.7	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.009	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	167.3	-178.2	65.3	-76.4	0	0	0	111.7	I240 P244 Y270 Q382 P383 A384 F389	I240-F242 HydrophobicContact CD1-CD1 4.18Å; I240-F242 HydrophobicContact CD1-CE1 3.94Å; I240-F242 HydrophobicContact CG1-CD1 3.83Å; I240-F242 HydrophobicContact CG1-CE1 3.97Å; F242-P244 HydrophobicContact CD2-CB 4.47Å; F242-P244 HydrophobicContact CE2-CB 3.94Å; F242-Y270 HydrophobicContact CD1-CD1 4.02Å; F242-Y270 AromaticContact CE1-CD1 3.53Å; F242-Y270 HydrophobicContact CE1-CD1 3.53Å; F242-Y270 HydrophobicContact CE1-CE1 4.07Å; F242-Y270 HydrophobicContact CE1-CG 4.41Å; F242-Y270 HydrophobicContact CZ-CD1 4.21Å; F242-Y270 PolarHBondContact N-O 2.95Å; F242-Y270 PolarHBondContact O-N 2.81Å; F242-Q382 HydrophobicContact CE1-CG 4.48Å; F242-P383 HydrophobicContact CE2-CB 4.24Å; F242-P383 HydrophobicContact CZ-CB 4.03Å; F242-P383 HydrophobicContact CZ-CG 4.42Å; F242-P383 WeakPolarHBondContact CZ-O 3.42Å; F242-A384 WeakPolarHBondContact CE2-O 3.4Å; F242-F389 HydrophobicContact CB-CE1 3.7Å; F242-F389 HydrophobicContact CB-CZ 3.71Å; F242-F389 AromaticContact CD1-CE1 3.94Å; F242-F389 HydrophobicContact CD1-CE1 3.94Å; F242-F389 AromaticContact CD1-CZ 3.99Å; F242-F389 HydrophobicContact CD1-CZ 3.99Å; F242-F389 HydrophobicContact CD2-CZ 4.04Å; F242-F389 AromaticContact CG-CE1 3.89Å; F242-F389 HydrophobicContact CG-CE1 3.89Å; F242-F389 AromaticContact CG-CZ 3.65Å; F242-F389 HydrophobicContact CG-CZ 3.65Å
243	I	95.4	Very high	86	Confident	9 Å²	9	46.5 Å²	46.5	5%	0.046	24%	0.244	C	C	.	.			trans	-97.3	118.3	169.1	-59.9	177.1	0	0	0	108.9	W206 P224 T227 Y247 F267 V269	W206-I243 HydrophobicContact CH2-CD1 4.02Å; W206-I243 HydrophobicContact CZ2-CD1 3.6Å; W206-I243 HydrophobicContact CZ2-CG1 3.92Å; P224-I243 HydrophobicContact CB-CB 4.46Å; P224-I243 HydrophobicContact CB-CD1 3.9Å; P224-I243 HydrophobicContact CB-CG2 3.79Å; T227-I243 HydrophobicContact CG2-CD1 4.37Å; I243-Y247 VanDerWaalsContact CG2-OH 3.29Å; I243-Y247 WeakPolarHBondContact CG2-OH 3.18Å; I243-F267 HydrophobicContact CD1-CB 4.16Å; I243-F267 HydrophobicContact CD1-CD1 3.64Å; I243-F267 HydrophobicContact CD1-CG 4.3Å; I243-V269 HydrophobicContact CD1-CG2 4.43Å; I243-V269 HydrophobicContact CG1-CG2 4.11Å
244	P	93.1	Very high	84.5	Confident	7 Å²	7	54.3 Å²	54.3	5%	0.045	28%	0.278	C	S	.	.			trans	-74.5	155	179.6	32.1	-36.8	0	0	0	112	F242 V246 Y247 F257 P383	F242-P244 HydrophobicContact CD2-CB 4.47Å; F242-P244 HydrophobicContact CE2-CB 3.94Å; P244-V246 VanDerWaalsContact C-N 3.34Å; P244-Y247 HydrophobicContact CG-CD1 4.13Å; P244-Y247 HydrophobicContact CG-CE1 4.05Å; P244-Y247 HydrophobicContact CG-CG 4.47Å; P244-F257 HydrophobicContact CG-CE1 3.68Å; P244-F257 HydrophobicContact CG-CZ 3.92Å; P244-P383 HydrophobicContact CB-CB 3.59Å; P244-P383 HydrophobicContact CB-CG 4.04Å; P244-P383 HydrophobicContact CG-CB 4.23Å; P244-P383 HydrophobicContact CG-CG 4.13Å
245	K	89.1	Confident	83.9	Confident	154 Å²	154	54.1 Å²	54.1	67%	0.67	27%	0.271	S	S	*	.	S	Bend	trans	-67.4	-36	172.1	-173.1	178.2	-177.4	179.3	0	112.5	F386	K245-F386 HydrophobicContact CB-CB 4.24Å; K245-F386 HydrophobicContact CB-CD1 3.87Å; K245-F386 HydrophobicContact CB-CD2 3.95Å; K245-F386 HydrophobicContact CB-CE1 4.21Å; K245-F386 HydrophobicContact CB-CE2 4.3Å; K245-F386 HydrophobicContact CB-CG 3.73Å; K245-F386 HydrophobicContact CB-CZ 4.42Å; K245-F386 HydrophobicContact CD-CD2 4.05Å; K245-F386 HydrophobicContact CD-CE2 3.77Å; K245-F386 HydrophobicContact CD-CZ 4.12Å; K245-F386 HydrophobicContact CG-CD2 4.5Å; K245-F386 HydrophobicContact CG-CE2 4.39Å; K245-F386 HydrophobicContact CG-CZ 4.4Å
246	V	82	Confident	83.7	Confident	114 Å²	114	55.4 Å²	55.4	69%	0.691	28%	0.276	S	S	*	.	S	Bend	trans	-127.4	123.5	-177.8	-177.9	0	0	0	0	107.9	P244	P244-V246 VanDerWaalsContact C-N 3.34Å
247	Y	79.3	Confident	83.5	Confident	77 Å²	77	56 Å²	56	30%	0.302	28%	0.278	S	S	.	.			trans	-83	148.3	173.4	-69.1	-93.7	0	0	0	110	I243 P244 F257 S268	I243-Y247 VanDerWaalsContact CG2-OH 3.29Å; I243-Y247 WeakPolarHBondContact CG2-OH 3.18Å; P244-Y247 HydrophobicContact CG-CD1 4.13Å; P244-Y247 HydrophobicContact CG-CE1 4.05Å; P244-Y247 HydrophobicContact CG-CG 4.47Å; Y247-F257 HydrophobicContact CD1-CD1 4.03Å; Y247-F257 AromaticContact CD1-CE1 3.49Å; Y247-F257 HydrophobicContact CD1-CE1 3.49Å; Y247-F257 VanDerWaalsContact CD1-CE1 3.49Å; Y247-F257 AromaticContact CD1-CZ 3.81Å; Y247-F257 HydrophobicContact CD1-CZ 3.81Å; Y247-F257 AromaticContact CE1-CD1 3.84Å; Y247-F257 HydrophobicContact CE1-CD1 3.84Å; Y247-F257 AromaticContact CE1-CE1 3.5Å; Y247-F257 HydrophobicContact CE1-CE1 3.5Å; Y247-F257 HydrophobicContact CE1-CZ 4.28Å; Y247-S268 PolarHBondContact OH-O 3.46Å; Y247-S268 VanDerWaalsContact OH-O 3.12Å
248	S	73.1	Confident	83.2	Confident	30 Å²	30	59.1 Å²	59.1	21%	0.21	29%	0.29	C	S	.	.			trans	-66.2	150.6	171.2	-173.1	0	0	0	0	110.6	I250	S248-I250 PolarHBondContact O-N 2.89Å; S248-I250 WeakPolarHBondContact OG-CB 3.26Å; S248-I250 WeakPolarHBondContact OG-CG1 3.39Å; S248-I250 PolarHBondContact OG-N 3.17Å; S248-I250 VanDerWaalsContact OG-N 3.13Å
249	N	70.2	Confident	82.9	Confident	171 Å²	171	64.6 Å²	64.6	91%	0.914	33%	0.326	S	S	*	.	S	Bend	trans	-74.8	-11.9	168.3	-66.2	-15.8	0	0	0	112
250	I	66.6	Low	82.7	Confident	56 Å²	56	65.1 Å²	65.1	29%	0.287	33%	0.329	S	S	.	.	S	Bend	trans	-67.2	135.2	174.1	-61.4	171.8	0	0	0	108.3	S248 K252 K254 L255	S248-I250 PolarHBondContact O-N 2.89Å; S248-I250 WeakPolarHBondContact OG-CB 3.26Å; S248-I250 WeakPolarHBondContact OG-CG1 3.39Å; S248-I250 PolarHBondContact OG-N 3.17Å; S248-I250 VanDerWaalsContact OG-N 3.13Å; I250-K252 PolarHBondContact O-N 3.28Å; I250-K254 HydrophobicContact CG2-CB 4.15Å; I250-L255 HydrophobicContact CB-CD1 3.94Å; I250-L255 HydrophobicContact CB-CG 4.41Å; I250-L255 HydrophobicContact CG2-CD1 4.08Å; I250-L255 HydrophobicContact CG2-CD2 4.22Å; I250-L255 HydrophobicContact CG2-CG 3.98Å
251	P	63.5	Low	82.4	Confident	66 Å²	66	72.6 Å²	72.6	43%	0.429	36%	0.357	S	S	.	.			trans	-51.1	131.7	178.2	-25.9	33.1	0	0	0	111.6	E253 K254	P251-E253 WeakPolarHBondContact CB-OE2 3.4Å; P251-E253 PolarHBondContact O-N 2.89Å; P251-E253 VanDerWaalsContact O-N 3.13Å; P251-K254 WeakPolarHBondContact O-CB 3.24Å; P251-K254 PolarHBondContact O-N 2.86Å
252	K	62.7	Low	82.3	Confident	87 Å²	87	72.6 Å²	72.6	38%	0.378	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-58.9	-28.8	-173.5	-72	-175.6	-180	-173.8	0	112.2	I250 K254 L255 F257 S268	I250-K252 PolarHBondContact O-N 3.28Å; K252-K254 PolarHBondContact O-N 3.34Å; K252-L255 CarbonylContact O-C 3.47Å; K252-L255 PolarHBondContact O-N 3.27Å; K252-F257 HydrophobicContact CB-CB 4.03Å; K252-F257 HydrophobicContact CD-CB 4.28Å; K252-F257 HydrophobicContact CG-CB 4.18Å; K252-F257 HydrophobicContact CG-CD2 4.31Å; K252-F257 HydrophobicContact CG-CG 4.34Å; K252-S268 PolarHBondContact NZ-OG 2.94Å
253	E	62.3	Low	82.1	Confident	166 Å²	166	73.2 Å²	73.2	78%	0.776	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-68.4	-17.2	-180	-45.3	78.7	-165.9	0	0	112.8	P251	P251-E253 WeakPolarHBondContact CB-OE2 3.4Å; P251-E253 PolarHBondContact O-N 2.89Å; P251-E253 VanDerWaalsContact O-N 3.13Å
254	K	66.1	Low	81.9	Confident	167 Å²	167	74.2 Å²	74.2	73%	0.726	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-91.6	-2.1	175.1	-62.2	-173.2	178	-176.9	0	112.8	I250 P251 K252	I250-K254 HydrophobicContact CG2-CB 4.15Å; P251-K254 WeakPolarHBondContact O-CB 3.24Å; P251-K254 PolarHBondContact O-N 2.86Å; K252-K254 PolarHBondContact O-N 3.34Å
255	L	81.4	Confident	82	Confident	17 Å²	17	74 Å²	74	9%	0.089	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	168.2	-173	-62.5	-177.3	0	0	0	109.6	I250 K252 F257 F381	I250-L255 HydrophobicContact CB-CD1 3.94Å; I250-L255 HydrophobicContact CB-CG 4.41Å; I250-L255 HydrophobicContact CG2-CD1 4.08Å; I250-L255 HydrophobicContact CG2-CD2 4.22Å; I250-L255 HydrophobicContact CG2-CG 3.98Å; K252-L255 CarbonylContact O-C 3.47Å; K252-L255 PolarHBondContact O-N 3.27Å; L255-F257 HydrophobicContact CB-CD2 3.75Å; L255-F257 HydrophobicContact CB-CE2 4.2Å; L255-F257 HydrophobicContact CD1-CD2 4.15Å; L255-F257 HydrophobicContact CD1-CE2 3.9Å; L255-F257 PolarHBondContact O-N 2.94Å; L255-F381 HydrophobicContact CB-CD1 4.39Å; L255-F381 HydrophobicContact CD1-CD1 3.82Å; L255-F381 HydrophobicContact CD1-CE1 3.62Å; L255-F381 HydrophobicContact CD1-CG 4.46Å; L255-F381 HydrophobicContact CD1-CZ 4.11Å; L255-F381 HydrophobicContact CD2-CB 3.85Å; L255-F381 HydrophobicContact CD2-CD1 3.52Å; L255-F381 HydrophobicContact CD2-CD2 4.44Å; L255-F381 HydrophobicContact CD2-CE1 4.21Å; L255-F381 HydrophobicContact CD2-CG 3.65Å; L255-F381 HydrophobicContact CG-CD1 4.12Å; L255-F381 HydrophobicContact CG-CE1 4.39Å
256	D	89.1	Confident	82.2	Confident	37 Å²	37	72 Å²	72	20%	0.198	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	46.6	-179.2	-68.8	-63.5	0	0	0	113.8	Y258 Y270 S271 H272	D256-Y258 VanDerWaalsContact C-CE2 3.45Å; D256-Y258 HydrophobicContact CB-CE2 4.08Å; D256-Y258 WeakPolarHBondContact O-CD2 3.47Å; D256-Y258 WeakPolarHBondContact O-CE2 3.21Å; D256-Y258 PolarHBondContact OD1-OH 3.01Å; D256-Y270 HydrophobicContact CB-CD2 4.1Å; D256-Y270 HydrophobicContact CB-CE2 3.82Å; D256-Y270 CarbonylContact O-C 3.45Å; D256-Y270 VanDerWaalsContact O-CA 3.25Å; D256-Y270 WeakPolarHBondContact O-CA 3.44Å; D256-S271 WeakPolarHBondContact CB-O 3.4Å; D256-S271 PolarHBondContact O-N 3.42Å; D256-H272 HydrophobicContact CB-CB 4.45Å; D256-H272 VanDerWaalsContact CG-ND1 3.33Å; D256-H272 IonicContact OD1-ND1 3.66Å; D256-H272 IonicContact OD2-CE1 2.72Å; D256-H272 IonicContact OD2-CG 3.59Å; D256-H272 IonicContact OD2-ND1 3.43Å; D256-H272 PolarHBondContact OD2-ND1 3.15Å
257	F	91.2	Very high	82.8	Confident	16 Å²	16	67 Å²	67	7%	0.07	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.9	175.6	-76.1	-77.6	0	0	0	111.7	P244 Y247 K252 L255 V269 Y270 F381 P383	P244-F257 HydrophobicContact CG-CE1 3.68Å; P244-F257 HydrophobicContact CG-CZ 3.92Å; Y247-F257 HydrophobicContact CD1-CD1 4.03Å; Y247-F257 AromaticContact CD1-CE1 3.49Å; Y247-F257 HydrophobicContact CD1-CE1 3.49Å; Y247-F257 VanDerWaalsContact CD1-CE1 3.49Å; Y247-F257 AromaticContact CD1-CZ 3.81Å; Y247-F257 HydrophobicContact CD1-CZ 3.81Å; Y247-F257 AromaticContact CE1-CD1 3.84Å; Y247-F257 HydrophobicContact CE1-CD1 3.84Å; Y247-F257 AromaticContact CE1-CE1 3.5Å; Y247-F257 HydrophobicContact CE1-CE1 3.5Å; Y247-F257 HydrophobicContact CE1-CZ 4.28Å; K252-F257 HydrophobicContact CB-CB 4.03Å; K252-F257 HydrophobicContact CD-CB 4.28Å; K252-F257 HydrophobicContact CG-CB 4.18Å; K252-F257 HydrophobicContact CG-CD2 4.31Å; K252-F257 HydrophobicContact CG-CG 4.34Å; L255-F257 HydrophobicContact CB-CD2 3.75Å; L255-F257 HydrophobicContact CB-CE2 4.2Å; L255-F257 HydrophobicContact CD1-CD2 4.15Å; L255-F257 HydrophobicContact CD1-CE2 3.9Å; L255-F257 PolarHBondContact O-N 2.94Å; F257-V269 WeakPolarHBondContact CA-O 3.42Å; F257-Y270 HydrophobicContact CE2-CD2 4.45Å; F257-Y270 HydrophobicContact CZ-CD2 4.36Å; F257-F381 HydrophobicContact CE2-CE1 4.05Å; F257-P383 HydrophobicContact CZ-CG 3.83Å
258	Y	91.9	Very high	83.4	Confident	65 Å²	65	64.2 Å²	64.2	26%	0.255	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125	-176.5	-61.6	-91.3	0	0	0	110.5	S199 L203 D256 V269	S199-Y258 WeakPolarHBondContact CB-OH 3.28Å; S199-Y258 PolarHBondContact OG-OH 2.84Å; L203-Y258 HydrophobicContact CD2-CG 4.45Å; D256-Y258 VanDerWaalsContact C-CE2 3.45Å; D256-Y258 HydrophobicContact CB-CE2 4.08Å; D256-Y258 WeakPolarHBondContact O-CD2 3.47Å; D256-Y258 WeakPolarHBondContact O-CE2 3.21Å; D256-Y258 PolarHBondContact OD1-OH 3.01Å; Y258-V269 PolarHBondContact N-O 3.36Å; Y258-V269 PolarHBondContact O-N 2.72Å
259	P	91.8	Very high	84.5	Confident	115 Å²	115	62.8 Å²	62.8	75%	0.747	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	138.8	171.2	30.7	-32.7	0	0	0	109.7	F267	P259-F267 WeakPolarHBondContact CA-O 3.47Å
260	L	93.2	Very high	85.7	Confident	12 Å²	12	54.7 Å²	54.7	6%	0.063	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	135.3	179.3	-175.3	73.3	0	0	0	109.9	L203 W206 V207 L262 F267 D490	L203-L260 HydrophobicContact CD1-CD2 4.29Å; W206-L260 HydrophobicContact CE3-CD2 4.41Å; W206-L260 HydrophobicContact CZ3-CD2 4.08Å; V207-L260 HydrophobicContact CG2-CD2 3.34Å; L260-L262 HydrophobicContact CD1-CD2 4.22Å; L260-L262 HydrophobicContact CD2-CD1 3.67Å; L260-L262 HydrophobicContact CD2-CD2 4.21Å; L260-L262 HydrophobicContact CD2-CG 3.79Å; L260-L262 HydrophobicContact CG-CD1 4.35Å; L260-L262 HydrophobicContact CG-CD2 4.1Å; L260-L262 HydrophobicContact CG-CG 3.91Å; L260-F267 PolarHBondContact N-O 3.39Å; L260-F267 PolarHBondContact O-N 3.29Å; L260-D490 WeakPolarHBondContact CD1-OD1 3.49Å
261	R	93.7	Very high	87.2	Confident	156 Å²	156	52 Å²	52	59%	0.589	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	114.3	177	-172.3	168.3	-167.8	172.1	1.7	111.1	N265 D266	R261-N265 CarbonylContact C-O 3.49Å; R261-N265 VanDerWaalsContact CA-O 3.28Å; R261-N265 WeakPolarHBondContact CA-O 3.48Å; R261-D266 WeakPolarHBondContact CD-OD1 3.32Å; R261-D266 WeakPolarHBondContact CG-OD1 3.46Å; R261-D266 IonicContact NE-OD1 2.75Å; R261-D266 PolarHBondContact NE-OD1 3.29Å
262	L	95.4	Very high	88.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.5	-179	-57.2	-179.1	0	0	0	111.7	V207 I216 L260 G264 N265 F267 L489	V207-L262 HydrophobicContact CB-CD1 4.31Å; V207-L262 HydrophobicContact CG1-CD1 3.64Å; V207-L262 HydrophobicContact CG2-CD1 3.9Å; I216-L262 HydrophobicContact CD1-CD1 4.13Å; I216-L262 HydrophobicContact CG2-CB 3.92Å; I216-L262 HydrophobicContact CG2-CD1 4.1Å; L260-L262 HydrophobicContact CD1-CD2 4.22Å; L260-L262 HydrophobicContact CD2-CD1 3.67Å; L260-L262 HydrophobicContact CD2-CD2 4.21Å; L260-L262 HydrophobicContact CD2-CG 3.79Å; L260-L262 HydrophobicContact CG-CD1 4.35Å; L260-L262 HydrophobicContact CG-CD2 4.1Å; L260-L262 HydrophobicContact CG-CG 3.91Å; L262-G264 PolarHBondContact O-N 3.4Å; L262-N265 PolarHBondContact N-O 3.49Å; L262-N265 WeakPolarHBondContact O-CB 3.44Å; L262-N265 PolarHBondContact O-N 3.49Å; L262-N265 PolarHBondContact O-ND2 3.19Å; L262-F267 HydrophobicContact CB-CE2 4.2Å; L262-L489 HydrophobicContact CB-CD2 4.37Å; L262-L489 HydrophobicContact CD1-CD2 3.94Å; L262-L489 HydrophobicContact CD2-CD2 3.38Å; L262-L489 HydrophobicContact CG-CD2 4.09Å
263	Y	93.7	Very high	90.4	Very high	15 Å²	15	47.1 Å²	47.1	6%	0.059	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	39.2	-178	-63	-64	0	0	0	113.3	S98 N99 G100 K101 Y211 I216 E218 N265 L489	S98-Y263 VanDerWaalsContact OG-CA 3.28Å; S98-Y263 WeakPolarHBondContact OG-CA 3.48Å; N99-Y263 HydrophobicContact CB-CD1 3.95Å; N99-Y263 HydrophobicContact CB-CE1 3.75Å; N99-Y263 WeakPolarHBondContact O-CE1 3.24Å; N99-Y263 PolarHBondContact OD1-N 3.11Å; G100-Y263 PolarHBondContact O-OH 2.9Å; K101-Y263 WeakPolarHBondContact CA-OH 3.37Å; Y211-Y263 HydrophobicContact CD2-CE2 4.28Å; Y211-Y263 HydrophobicContact CE2-CE2 4.2Å; I216-Y263 HydrophobicContact CG2-CD2 3.88Å; I216-Y263 HydrophobicContact CG2-CE2 4.47Å; E218-Y263 HydrophobicContact CB-CD1 3.75Å; E218-Y263 HydrophobicContact CB-CE1 3.94Å; E218-Y263 HydrophobicContact CB-CG 4.31Å; E218-Y263 HydrophobicContact CG-CD1 4.23Å; Y263-N265 VanDerWaalsContact C-N 3.26Å; Y263-N265 PolarHBondContact O-N 2.81Å; Y263-N265 PolarHBondContact O-ND2 3.03Å; Y263-L489 HydrophobicContact CE2-CD1 4.14Å; Y263-L489 HydrophobicContact CE2-CD2 4.5Å
264	G	91.1	Very high	92.1	Very high	30 Å²	30	39.6 Å²	39.6	31%	0.309	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	-5.5	-176.9	0	0	0	0	0	115.8	L262	L262-G264 PolarHBondContact O-N 3.4Å
265	N	94.3	Very high	93.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.011	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.6	175.9	-60.8	-94.4	0	0	0	110.8	K220 Q221 T222 R261 L262 Y263 F267	K220-N265 PolarHBondContact O-ND2 3.12Å; K220-N265 PolarHBondContact O-OD1 3Å; Q221-N265 WeakPolarHBondContact CA-OD1 3.42Å; Q221-N265 PolarHBondContact NE2-OD1 2.72Å; T222-N265 PolarHBondContact N-OD1 2.84Å; R261-N265 CarbonylContact C-O 3.49Å; R261-N265 VanDerWaalsContact CA-O 3.28Å; R261-N265 WeakPolarHBondContact CA-O 3.48Å; L262-N265 PolarHBondContact N-O 3.49Å; L262-N265 WeakPolarHBondContact O-CB 3.44Å; L262-N265 PolarHBondContact O-N 3.49Å; L262-N265 PolarHBondContact O-ND2 3.19Å; Y263-N265 VanDerWaalsContact C-N 3.26Å; Y263-N265 PolarHBondContact O-N 2.81Å; Y263-N265 PolarHBondContact O-ND2 3.03Å; N265-F267 HydrophobicContact CB-CD2 4.38Å; N265-F267 HydrophobicContact CB-CE1 4.35Å; N265-F267 HydrophobicContact CB-CE2 3.49Å; N265-F267 VanDerWaalsContact CB-CE2 3.49Å; N265-F267 HydrophobicContact CB-CZ 3.48Å; N265-F267 VanDerWaalsContact CB-CZ 3.48Å
266	D	93.8	Very high	94.4	Very high	112 Å²	112	31.7 Å²	31.7	60%	0.599	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.3	174.9	-62.4	-44.7	0	0	0	110.9	R261	R261-D266 WeakPolarHBondContact CD-OD1 3.32Å; R261-D266 WeakPolarHBondContact CG-OD1 3.46Å; R261-D266 IonicContact NE-OD1 2.75Å; R261-D266 PolarHBondContact NE-OD1 3.29Å
267	F	94.1	Very high	94.8	Very high	10 Å²	10	30 Å²	30	4%	0.044	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	150.9	179.4	-56.6	-75.4	0	0	0	110.7	W206 I216 T222 T227 I243 P259 L260 L262 N265 V269	W206-F267 HydrophobicContact CH2-CB 4.22Å; W206-F267 AromaticContact CH2-CD1 3.89Å; W206-F267 HydrophobicContact CH2-CD1 3.89Å; W206-F267 HydrophobicContact CH2-CD2 4.13Å; W206-F267 HydrophobicContact CH2-CE1 4.26Å; W206-F267 HydrophobicContact CH2-CE2 4.48Å; W206-F267 AromaticContact CH2-CG 3.81Å; W206-F267 HydrophobicContact CH2-CG 3.81Å; W206-F267 HydrophobicContact CZ3-CD2 4.36Å; W206-F267 HydrophobicContact CZ3-CG 4.36Å; I216-F267 HydrophobicContact CD1-CE1 4.46Å; I216-F267 HydrophobicContact CD1-CE2 3.79Å; I216-F267 HydrophobicContact CD1-CZ 3.75Å; I216-F267 HydrophobicContact CG1-CE2 4.3Å; I216-F267 HydrophobicContact CG1-CZ 3.92Å; T222-F267 HydrophobicContact CG2-CE1 4.31Å; T222-F267 HydrophobicContact CG2-CZ 4.31Å; T227-F267 HydrophobicContact CG2-CE1 4.22Å; I243-F267 HydrophobicContact CD1-CB 4.16Å; I243-F267 HydrophobicContact CD1-CD1 3.64Å; I243-F267 HydrophobicContact CD1-CG 4.3Å; P259-F267 WeakPolarHBondContact CA-O 3.47Å; L260-F267 PolarHBondContact N-O 3.39Å; L260-F267 PolarHBondContact O-N 3.29Å; L262-F267 HydrophobicContact CB-CE2 4.2Å; N265-F267 HydrophobicContact CB-CD2 4.38Å; N265-F267 HydrophobicContact CB-CE1 4.35Å; N265-F267 HydrophobicContact CB-CE2 3.49Å; N265-F267 VanDerWaalsContact CB-CE2 3.49Å; N265-F267 HydrophobicContact CB-CZ 3.48Å; N265-F267 VanDerWaalsContact CB-CZ 3.48Å; F267-V269 HydrophobicContact CB-CG2 4.01Å
268	S	93.3	Very high	95.1	Very high	19 Å²	19	29.2 Å²	29.2	13%	0.133	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	94.1	170.1	-171.9	0	0	0	0	107.7	Y247 K252	Y247-S268 PolarHBondContact OH-O 3.46Å; Y247-S268 VanDerWaalsContact OH-O 3.12Å; K252-S268 PolarHBondContact NZ-OG 2.94Å
269	V	95.4	Very high	95.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.9	-169.8	-177.6	0	0	0	0	108.7	L203 W206 A241 I243 F257 Y258 F267	L203-V269 HydrophobicContact CD1-CB 3.56Å; L203-V269 HydrophobicContact CD1-CG1 3.82Å; L203-V269 HydrophobicContact CD1-CG2 3.92Å; W206-V269 HydrophobicContact CB-CG1 4.47Å; W206-V269 HydrophobicContact CD2-CG1 4.1Å; W206-V269 HydrophobicContact CD2-CG2 4.04Å; W206-V269 HydrophobicContact CE3-CG2 3.83Å; W206-V269 HydrophobicContact CG-CG1 4.08Å; W206-V269 HydrophobicContact CH2-CG2 3.95Å; W206-V269 HydrophobicContact CZ2-CG2 4.12Å; W206-V269 HydrophobicContact CZ3-CG2 3.8Å; A241-V269 HydrophobicContact CB-CG1 4.32Å; I243-V269 HydrophobicContact CD1-CG2 4.43Å; I243-V269 HydrophobicContact CG1-CG2 4.11Å; F257-V269 WeakPolarHBondContact CA-O 3.42Å; Y258-V269 PolarHBondContact N-O 3.36Å; Y258-V269 PolarHBondContact O-N 2.72Å; F267-V269 HydrophobicContact CB-CG2 4.01Å
270	Y	95.7	Very high	95.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.5	164.6	173.4	-92.7	0	0	0	108.1	I240 A241 F242 D256 F257 H272 F381 Q382 P383	I240-Y270 HydrophobicContact CG2-CE1 4.25Å; A241-Y270 CarbonylContact C-O 3.56Å; A241-Y270 WeakPolarHBondContact CA-O 3.44Å; F242-Y270 HydrophobicContact CD1-CD1 4.02Å; F242-Y270 AromaticContact CE1-CD1 3.53Å; F242-Y270 HydrophobicContact CE1-CD1 3.53Å; F242-Y270 HydrophobicContact CE1-CE1 4.07Å; F242-Y270 HydrophobicContact CE1-CG 4.41Å; F242-Y270 HydrophobicContact CZ-CD1 4.21Å; F242-Y270 PolarHBondContact N-O 2.95Å; F242-Y270 PolarHBondContact O-N 2.81Å; D256-Y270 HydrophobicContact CB-CD2 4.1Å; D256-Y270 HydrophobicContact CB-CE2 3.82Å; D256-Y270 CarbonylContact O-C 3.45Å; D256-Y270 VanDerWaalsContact O-CA 3.25Å; D256-Y270 WeakPolarHBondContact O-CA 3.44Å; F257-Y270 HydrophobicContact CE2-CD2 4.45Å; F257-Y270 HydrophobicContact CZ-CD2 4.36Å; Y270-H272 HydrophobicContact CE1-CB 4.1Å; Y270-H272 WeakPolarHBondContact OH-CB 3.03Å; Y270-F381 HydrophobicContact CE2-CD1 4.29Å; Y270-F381 WeakPolarHBondContact CE2-O 3.38Å; Y270-F381 PolarHBondContact OH-O 3.07Å; Y270-Q382 HydrophobicContact CD1-CG 4.49Å; Y270-Q382 HydrophobicContact CE1-CB 4.49Å; Y270-Q382 HydrophobicContact CE1-CG 3.61Å; Y270-Q382 WeakPolarHBondContact OH-CG 3.43Å; Y270-P383 HydrophobicContact CD2-CG 4.13Å; Y270-P383 HydrophobicContact CG-CG 4.24Å
271	S	97.1	Very high	95.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	112.5	178.7	-176.8	0	0	0	0	112.4	S199 G202 L203 I240 D256	S199-S271 WeakPolarHBondContact CB-O 3.47Å; S199-S271 WeakPolarHBondContact O-CB 3.45Å; S199-S271 PolarHBondContact O-OG 3.11Å; G202-S271 VanDerWaalsContact C-OG 3.25Å; G202-S271 WeakPolarHBondContact CA-OG 3.47Å; L203-S271 PolarHBondContact N-OG 2.76Å; I240-S271 WeakPolarHBondContact O-CA 3.27Å; D256-S271 WeakPolarHBondContact CB-O 3.4Å; D256-S271 PolarHBondContact O-N 3.42Å
272	H	97.3	Very high	95.9	Very high	32 Å²	32	18.6 Å²	18.6	15%	0.148	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	150.1	178	-164.8	88.1	0	0	0	112	Q239 I240 D256 Y270 F274 V380	Q239-H272 WeakPolarHBondContact CA-O 3.47Å; I240-H272 PolarHBondContact N-O 2.81Å; I240-H272 VanDerWaalsContact N-O 3.1Å; I240-H272 PolarHBondContact O-N 3Å; D256-H272 HydrophobicContact CB-CB 4.45Å; D256-H272 VanDerWaalsContact CG-ND1 3.33Å; D256-H272 IonicContact OD1-ND1 3.66Å; D256-H272 IonicContact OD2-CE1 2.72Å; D256-H272 IonicContact OD2-CG 3.59Å; D256-H272 IonicContact OD2-ND1 3.43Å; D256-H272 PolarHBondContact OD2-ND1 3.15Å; Y270-H272 HydrophobicContact CE1-CB 4.1Å; Y270-H272 WeakPolarHBondContact OH-CB 3.03Å; H272-F274 HydrophobicContact CB-CE2 4.36Å; H272-F274 AromaticContact CD2-CD1 3.94Å; H272-F274 AromaticContact CD2-CD2 3.75Å; H272-F274 AromaticContact CD2-CE1 3.66Å; H272-F274 AromaticContact CD2-CE2 3.43Å; H272-F274 VanDerWaalsContact CD2-CE2 3.43Å; H272-F274 WeakPolarHBondContact CD2-CE2 3.3Å; H272-F274 AromaticContact CD2-CG 3.99Å; H272-F274 AromaticContact CD2-CZ 3.38Å; H272-F274 WeakPolarHBondContact CD2-CZ 3.35Å; H272-F274 AromaticContact NE2-CE1 3.9Å; H272-V380 VanDerWaalsContact CE1-CG1 3.48Å; H272-V380 WeakPolarHBondContact CE1-CG1 3.34Å
273	S	97.6	Very high	96	Very high	19 Å²	19	18.8 Å²	18.8	13%	0.133	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	124.4	178.6	170.3	0	0	0	0	111.5	G198 T238 Q239 L275	G198-S273 VanDerWaalsContact O-CB 3.27Å; G198-S273 WeakPolarHBondContact O-CB 3Å; T238-S273 CarbonylContact O-C 3.36Å; T238-S273 WeakPolarHBondContact O-CA 3.29Å; Q239-S273 PolarHBondContact NE2-OG 3.02Å; S273-L275 PolarHBondContact O-N 2.74Å
274	F	97.8	Very high	96.2	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.035	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	96	178.3	-58.1	-93.6	0	0	0	109.6	S237 T238 I240 H272 Y277 S376 F377 V380 Y459	S237-F274 VanDerWaalsContact CA-O 3.24Å; S237-F274 WeakPolarHBondContact CA-O 3.17Å; S237-F274 WeakPolarHBondContact CB-O 3.21Å; T238-F274 HydrophobicContact CG2-CB 3.87Å; T238-F274 HydrophobicContact CG2-CD2 4.34Å; T238-F274 PolarHBondContact N-O 3Å; T238-F274 PolarHBondContact O-N 3.08Å; I240-F274 HydrophobicContact CG2-CE2 4.11Å; H272-F274 HydrophobicContact CB-CE2 4.36Å; H272-F274 AromaticContact CD2-CD1 3.94Å; H272-F274 AromaticContact CD2-CD2 3.75Å; H272-F274 AromaticContact CD2-CE1 3.66Å; H272-F274 AromaticContact CD2-CE2 3.43Å; H272-F274 VanDerWaalsContact CD2-CE2 3.43Å; H272-F274 WeakPolarHBondContact CD2-CE2 3.3Å; H272-F274 AromaticContact CD2-CG 3.99Å; H272-F274 AromaticContact CD2-CZ 3.38Å; H272-F274 WeakPolarHBondContact CD2-CZ 3.35Å; H272-F274 AromaticContact NE2-CE1 3.9Å; F274-Y277 HydrophobicContact CB-CD2 3.84Å; F274-Y277 HydrophobicContact CB-CG 4.04Å; F274-Y277 PolarHBondContact O-N 3.45Å; F274-S376 WeakPolarHBondContact CZ-OG 3.43Å; F274-F377 HydrophobicContact CB-CE2 4.29Å; F274-F377 HydrophobicContact CB-CZ 4.01Å; F274-F377 HydrophobicContact CD1-CD2 4.07Å; F274-F377 AromaticContact CD1-CE1 3.99Å; F274-F377 HydrophobicContact CD1-CE1 3.99Å; F274-F377 AromaticContact CD1-CE2 3.27Å; F274-F377 HydrophobicContact CD1-CE2 3.27Å; F274-F377 AromaticContact CD1-CZ 3.24Å; F274-F377 HydrophobicContact CD1-CZ 3.24Å; F274-F377 HydrophobicContact CD2-CE1 4.4Å; F274-F377 AromaticContact CD2-CZ 3.98Å; F274-F377 HydrophobicContact CD2-CZ 3.98Å; F274-F377 HydrophobicContact CE1-CD1 4.19Å; F274-F377 HydrophobicContact CE1-CD2 4.12Å; F274-F377 AromaticContact CE1-CE1 3.84Å; F274-F377 HydrophobicContact CE1-CE1 3.84Å; F274-F377 AromaticContact CE1-CE2 3.71Å; F274-F377 HydrophobicContact CE1-CE2 3.71Å; F274-F377 HydrophobicContact CE1-CG 4.35Å; F274-F377 AromaticContact CE1-CZ 3.58Å; F274-F377 HydrophobicContact CE1-CZ 3.58Å; F274-F377 HydrophobicContact CE2-CE1 4.29Å; F274-F377 HydrophobicContact CE2-CZ 4.28Å; F274-F377 HydrophobicContact CG-CE1 4.26Å; F274-F377 AromaticContact CG-CE2 3.88Å; F274-F377 HydrophobicContact CG-CE2 3.88Å; F274-F377 AromaticContact CG-CZ 3.46Å; F274-F377 HydrophobicContact CG-CZ 3.46Å; F274-F377 VanDerWaalsContact CG-CZ 3.46Å; F274-F377 HydrophobicContact CZ-CD1 4.47Å; F274-F377 HydrophobicContact CZ-CE1 4.01Å; F274-F377 HydrophobicContact CZ-CZ 4.09Å; F274-V380 HydrophobicContact CE1-CB 3.95Å; F274-V380 HydrophobicContact CE1-CG1 4.15Å; F274-V380 HydrophobicContact CE1-CG2 3.8Å; F274-V380 HydrophobicContact CZ-CB 4.26Å; F274-V380 HydrophobicContact CZ-CG1 4.04Å; F274-Y459 AromaticContact CD2-CE1 3.8Å; F274-Y459 HydrophobicContact CD2-CE1 3.8Å; F274-Y459 WeakPolarHBondContact CD2-OH 3.49Å; F274-Y459 HydrophobicContact CE2-CD1 4.37Å; F274-Y459 AromaticContact CE2-CE1 3.41Å; F274-Y459 HydrophobicContact CE2-CE1 3.41Å; F274-Y459 VanDerWaalsContact CE2-CE1 3.41Å; F274-Y459 HydrophobicContact CZ-CE1 4.09Å
275	L	97.5	Very high	96.5	Very high	18 Å²	18	18.8 Å²	18.8	9%	0.094	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	146.2	173.5	-173.3	68.5	0	0	0	110.2	A155 R158 L159 I162 S273 Y277 Y329	A155-L275 HydrophobicContact CB-CD1 3.64Å; R158-L275 HydrophobicContact CB-CD1 4.21Å; R158-L275 HydrophobicContact CB-CD2 4.21Å; L159-L275 HydrophobicContact CD2-CD1 3.85Å; L159-L275 HydrophobicContact CD2-CD2 3.9Å; L159-L275 HydrophobicContact CD2-CG 3.77Å; L159-L275 HydrophobicContact CG-CD1 3.99Å; L159-L275 HydrophobicContact CG-CG 4.45Å; I162-L275 HydrophobicContact CD1-CD2 3.9Å; S273-L275 PolarHBondContact O-N 2.74Å; L275-Y277 WeakPolarHBondContact O-CD2 3.41Å; L275-Y277 PolarHBondContact O-N 2.87Å; L275-Y329 WeakPolarHBondContact CB-OH 3.02Å; L275-Y329 HydrophobicContact CD2-CE1 4.44Å; L275-Y329 HydrophobicContact CD2-CE2 4.41Å; L275-Y329 PolarHBondContact O-OH 3.22Å
276	C	97.8	Very high	96.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	-3.8	-169.7	-57.6	0	0	0	0	116.1	A236 F282 C324 Y329 F334	A236-C276 WeakPolarHBondContact O-CA 3.28Å; A236-C276 PolarHBondContact O-N 3.35Å; C276-F282 PolarHBondContact O-N 3.01Å; C276-C324 WeakPolarHBondContact CA-SG 3.25Å; C276-C324 HydrophobicContact CB-CB 3.67Å; C276-C324 WeakPolarHBondContact CB-SG 3.31Å; C276-C324 WeakPolarHBondContact SG-CA 3.08Å; C276-C324 WeakPolarHBondContact SG-CB 3.27Å; C276-C324 CovalentContact SG-SG 2.03Å; C276-C324 PolarHBondContact SG-SG 2.84Å; C276-Y329 HydrophobicContact CB-CE1 4.35Å; C276-Y329 VanDerWaalsContact SG-CE1 3.55Å; C276-F334 HydrophobicContact CB-CE2 3.93Å; C276-F334 HydrophobicContact CB-CZ 3.81Å
277	Y	98.3	Very high	96.7	Very high	1 Å²	1	13.4 Å²	13.4	0%	0.004	7%	0.07	C	C	.	.			trans	-100.3	19.2	170.2	-68.7	-97.4	0	0	0	111.7	T238 F274 L275 F282 T333 F334 H365 F366 F377 N378 Y451	T238-Y277 WeakPolarHBondContact CB-O 3.37Å; T238-Y277 VanDerWaalsContact CG2-O 3.23Å; T238-Y277 WeakPolarHBondContact CG2-O 3.17Å; F274-Y277 HydrophobicContact CB-CD2 3.84Å; F274-Y277 HydrophobicContact CB-CG 4.04Å; F274-Y277 PolarHBondContact O-N 3.45Å; L275-Y277 WeakPolarHBondContact O-CD2 3.41Å; L275-Y277 PolarHBondContact O-N 2.87Å; Y277-F282 AromaticContact CD1-CD2 3.64Å; Y277-F282 HydrophobicContact CD1-CD2 3.64Å; Y277-F282 AromaticContact CD1-CE2 3.63Å; Y277-F282 HydrophobicContact CD1-CE2 3.63Å; Y277-F282 HydrophobicContact CE1-CD2 4.01Å; Y277-F282 AromaticContact CE1-CE2 3.57Å; Y277-F282 HydrophobicContact CE1-CE2 3.57Å; Y277-F282 HydrophobicContact CG-CD2 4.23Å; Y277-T333 HydrophobicContact CE2-CG2 4.06Å; Y277-F334 HydrophobicContact CD2-CZ 4.37Å; Y277-F334 HydrophobicContact CE1-CE1 4.24Å; Y277-F334 AromaticContact CE2-CE1 3.69Å; Y277-F334 HydrophobicContact CE2-CE1 3.69Å; Y277-F334 AromaticContact CE2-CZ 3.73Å; Y277-F334 HydrophobicContact CE2-CZ 3.73Å; Y277-F334 AromaticContact CZ-CE1 3.46Å; Y277-F334 VanDerWaalsContact CZ-CE1 3.46Å; Y277-F334 WeakPolarHBondContact OH-CE1 3.4Å; Y277-H365 PolarHBondContact OH-O 3.44Å; Y277-F366 HydrophobicContact CD1-CD1 4.46Å; Y277-F366 AromaticContact CD1-CE1 3.82Å; Y277-F366 HydrophobicContact CD1-CE1 3.82Å; Y277-F366 AromaticContact CD1-CZ 3.96Å; Y277-F366 HydrophobicContact CD1-CZ 3.96Å; Y277-F366 AromaticContact CE1-CD1 3.77Å; Y277-F366 HydrophobicContact CE1-CD1 3.77Å; Y277-F366 HydrophobicContact CE1-CD2 4.48Å; Y277-F366 AromaticContact CE1-CE1 3.58Å; Y277-F366 HydrophobicContact CE1-CE1 3.58Å; Y277-F366 HydrophobicContact CE1-CE2 4.33Å; Y277-F366 HydrophobicContact CE1-CG 4.24Å; Y277-F366 AromaticContact CE1-CZ 3.9Å; Y277-F366 HydrophobicContact CE1-CZ 3.9Å; Y277-F377 AromaticContact CD1-CE2 3.68Å; Y277-F377 HydrophobicContact CD1-CE2 3.68Å; Y277-F377 AromaticContact CD1-CZ 3.97Å; Y277-F377 HydrophobicContact CD1-CZ 3.97Å; Y277-F377 AromaticContact CD2-CE2 3.94Å; Y277-F377 HydrophobicContact CD2-CE2 3.94Å; Y277-F377 HydrophobicContact CE1-CD2 4.07Å; Y277-F377 AromaticContact CE1-CE2 3.47Å; Y277-F377 HydrophobicContact CE1-CE2 3.47Å; Y277-F377 VanDerWaalsContact CE1-CE2 3.47Å; Y277-F377 HydrophobicContact CE1-CZ 4.19Å; Y277-F377 HydrophobicContact CE2-CD2 4.47Å; Y277-F377 AromaticContact CE2-CE2 3.75Å; Y277-F377 HydrophobicContact CE2-CE2 3.75Å; Y277-F377 AromaticContact CG-CE2 3.92Å; Y277-F377 HydrophobicContact CG-CE2 3.92Å; Y277-F377 HydrophobicContact CG-CZ 4.17Å; Y277-F377 AromaticContact CZ-CD2 3.97Å; Y277-F377 AromaticContact CZ-CE2 3.51Å; Y277-N378 VanDerWaalsContact CE2-ND2 3.28Å; Y277-N378 WeakPolarHBondContact CE2-ND2 3.41Å; Y277-N378 VanDerWaalsContact CZ-ND2 3.34Å; Y277-N378 PolarHBondContact OH-ND2 3.45Å; Y277-N378 PolarHBondContact OH-OD1 3.33Å; Y277-Y451 VanDerWaalsContact C-OH 3.32Å; Y277-Y451 WeakPolarHBondContact CA-OH 3.4Å; Y277-Y451 WeakPolarHBondContact CB-OH 3.33Å; Y277-Y451 PolarHBondContact O-OH 2.93Å
278	G	97.4	Very high	96.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-72.4	155	163	0	0	0	0	0	110.4	G234 G235 A236 S237 S280 E281 F282	G234-G278 CarbonylContact O-C 3.54Å; G234-G278 WeakPolarHBondContact O-CA 3.28Å; G235-G278 CarbonylContact O-C 3.55Å; G235-G278 WeakPolarHBondContact O-CA 3.34Å; A236-G278 VanDerWaalsContact C-CA 3.48Å; A236-G278 PolarHBondContact O-N 3.45Å; S237-G278 VanDerWaalsContact N-CA 3.31Å; S237-G278 WeakPolarHBondContact O-CA 3.4Å; G278-S280 VanDerWaalsContact C-N 3.28Å; G278-S280 PolarHBondContact O-N 2.88Å; G278-E281 PolarHBondContact O-N 2.96Å; G278-F282 WeakPolarHBondContact O-CB 3.44Å; G278-F282 PolarHBondContact O-N 3.47Å
279	K	96.6	Very high	97	Very high	37 Å²	37	13.1 Å²	13.1	16%	0.161	7%	0.07	C	C	.	.	H	α-helix	trans	-51	-45.1	-176.1	-178	-165.6	-177.1	-52.6	0	112.9	L233 G234 G235 E283 D448	L233-K279 HydrophobicContact CD1-CB 4.36Å; L233-K279 HydrophobicContact CD2-CB 4.41Å; L233-K279 HydrophobicContact CG-CB 4.19Å; G234-K279 PolarHBondContact O-N 3.47Å; G235-K279 PolarHBondContact O-N 3.04Å; K279-E283 WeakPolarHBondContact O-CB 3.45Å; K279-E283 PolarHBondContact O-N 3.32Å; K279-D448 WeakPolarHBondContact CE-OD1 3.24Å; K279-D448 WeakPolarHBondContact CE-OD2 3.43Å; K279-D448 IonicContact NZ-OD1 2.74Å; K279-D448 PolarHBondContact NZ-OD1 3.39Å; K279-D448 IonicContact NZ-OD2 3.19Å; K279-D448 PolarHBondContact NZ-OD2 3.48Å
280	S	95.3	Very high	97	Very high	52 Å²	52	13.1 Å²	13.1	36%	0.364	7%	0.07	S	C	.	.	H	α-helix	trans	-75.9	-46.5	-174.6	-51.9	0	0	0	0	112.1	G235 G278 E283 R284	G235-S280 WeakPolarHBondContact O-CA 3.39Å; G235-S280 WeakPolarHBondContact O-CB 3.4Å; G235-S280 PolarHBondContact O-N 3.03Å; G278-S280 VanDerWaalsContact C-N 3.28Å; G278-S280 PolarHBondContact O-N 2.88Å; S280-E283 PolarHBondContact O-N 3.45Å; S280-R284 WeakPolarHBondContact O-CB 3.24Å; S280-R284 PolarHBondContact O-N 3.3Å
281	E	96.8	Very high	97	Very high	35 Å²	35	13.1 Å²	13.1	16%	0.164	7%	0.07	C	C	.	.	H	α-helix	trans	-71.2	-35.2	180	-66.5	-57.7	140.9	0	0	112.4	L159 G235 A236 G278 R284 R285	L159-E281 HydrophobicContact CD1-CG 3.75Å; G235-E281 PolarHBondContact O-N 3.19Å; G235-E281 VanDerWaalsContact O-N 3.07Å; A236-E281 HydrophobicContact CB-CG 3.99Å; G278-E281 PolarHBondContact O-N 2.96Å; E281-R284 PolarHBondContact O-N 3.08Å; E281-R284 IonicContact OE2-NH1 3.49Å; E281-R285 WeakPolarHBondContact O-CB 3.22Å; E281-R285 PolarHBondContact O-N 3.12Å
282	F	98.2	Very high	96.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-70.7	-41.4	175.4	-164.9	-94.4	0	0	0	111.4	C276 Y277 G278 R285 V286 I362 H365 F366 F447 Y451	C276-F282 PolarHBondContact O-N 3.01Å; Y277-F282 AromaticContact CD1-CD2 3.64Å; Y277-F282 HydrophobicContact CD1-CD2 3.64Å; Y277-F282 AromaticContact CD1-CE2 3.63Å; Y277-F282 HydrophobicContact CD1-CE2 3.63Å; Y277-F282 HydrophobicContact CE1-CD2 4.01Å; Y277-F282 AromaticContact CE1-CE2 3.57Å; Y277-F282 HydrophobicContact CE1-CE2 3.57Å; Y277-F282 HydrophobicContact CG-CD2 4.23Å; G278-F282 WeakPolarHBondContact O-CB 3.44Å; G278-F282 PolarHBondContact O-N 3.47Å; F282-R285 PolarHBondContact O-N 3.37Å; F282-V286 HydrophobicContact CD1-CG2 4Å; F282-V286 HydrophobicContact CE1-CG2 3.6Å; F282-V286 HydrophobicContact CZ-CG2 4.08Å; F282-V286 WeakPolarHBondContact O-CG2 3.37Å; F282-V286 PolarHBondContact O-N 2.95Å; F282-I362 HydrophobicContact CE1-CG1 4.46Å; F282-I362 HydrophobicContact CE1-CG2 3.96Å; F282-I362 HydrophobicContact CZ-CG2 4.18Å; F282-H365 HydrophobicContact CE2-CB 3.68Å; F282-H365 HydrophobicContact CZ-CB 3.8Å; F282-F366 HydrophobicContact CE1-CE2 4.29Å; F282-F366 AromaticContact CE2-CE2 3.98Å; F282-F366 HydrophobicContact CE2-CE2 3.98Å; F282-F366 HydrophobicContact CE2-CZ 4.35Å; F282-F366 HydrophobicContact CZ-CD2 4.14Å; F282-F366 AromaticContact CZ-CE2 3.48Å; F282-F366 HydrophobicContact CZ-CE2 3.48Å; F282-F366 VanDerWaalsContact CZ-CE2 3.48Å; F282-F366 HydrophobicContact CZ-CZ 4.16Å; F282-F447 AromaticContact CD1-CZ 3.85Å; F282-F447 HydrophobicContact CD1-CZ 3.85Å; F282-F447 HydrophobicContact CE1-CZ 4.32Å; F282-Y451 HydrophobicContact CB-CE1 4.18Å; F282-Y451 HydrophobicContact CB-CE2 4.39Å; F282-Y451 HydrophobicContact CD1-CD1 4.21Å; F282-Y451 AromaticContact CD1-CD2 3.36Å; F282-Y451 HydrophobicContact CD1-CD2 3.36Å; F282-Y451 HydrophobicContact CD1-CE1 4.03Å; F282-Y451 AromaticContact CD1-CE2 3.13Å; F282-Y451 HydrophobicContact CD1-CE2 3.13Å; F282-Y451 AromaticContact CD1-CG 3.9Å; F282-Y451 HydrophobicContact CD1-CG 3.9Å; F282-Y451 AromaticContact CD1-CZ 3.5Å; F282-Y451 VanDerWaalsContact CD1-CZ 3.5Å; F282-Y451 HydrophobicContact CD2-CE2 4.03Å; F282-Y451 AromaticContact CE1-CD2 3.28Å; F282-Y451 HydrophobicContact CE1-CD2 3.28Å; F282-Y451 AromaticContact CE1-CE2 3.24Å; F282-Y451 HydrophobicContact CE1-CE2 3.24Å; F282-Y451 HydrophobicContact CE1-CG 4.16Å; F282-Y451 HydrophobicContact CE2-CE2 4.08Å; F282-Y451 HydrophobicContact CG-CD2 4.25Å; F282-Y451 HydrophobicContact CG-CE1 4.22Å; F282-Y451 AromaticContact CG-CE2 3.58Å; F282-Y451 HydrophobicContact CG-CE2 3.58Å; F282-Y451 AromaticContact CG-CZ 3.56Å; F282-Y451 HydrophobicContact CZ-CD2 4.1Å; F282-Y451 AromaticContact CZ-CE2 3.72Å; F282-Y451 HydrophobicContact CZ-CE2 3.72Å
283	E	97.3	Very high	96.6	Very high	5 Å²	5	16.2 Å²	16.2	2%	0.023	10%	0.1	C	C	.	.	H	α-helix	trans	-55.3	-51.6	169.7	-175.4	-173.4	166.2	0	0	110.6	K279 S280 R285 V286 I287 K444 F447	K279-E283 WeakPolarHBondContact O-CB 3.45Å; K279-E283 PolarHBondContact O-N 3.32Å; S280-E283 PolarHBondContact O-N 3.45Å; E283-R285 VanDerWaalsContact C-N 3.34Å; E283-R285 PolarHBondContact O-N 3.42Å; E283-V286 PolarHBondContact O-N 3.09Å; E283-I287 HydrophobicContact CG-CG2 4.35Å; E283-I287 WeakPolarHBondContact O-CG1 3.31Å; E283-I287 WeakPolarHBondContact O-CG2 3.13Å; E283-I287 PolarHBondContact O-N 3.46Å; E283-K444 WeakPolarHBondContact OE1-CD 3.01Å; E283-K444 VanDerWaalsContact OE1-CE 3.27Å; E283-K444 WeakPolarHBondContact OE1-CE 3.16Å; E283-K444 IonicContact OE1-NZ 3.29Å; E283-K444 PolarHBondContact OE1-NZ 3.26Å; E283-K444 IonicContact OE2-NZ 2.77Å; E283-K444 PolarHBondContact OE2-NZ 3.39Å; E283-F447 VanDerWaalsContact CA-CZ 3.42Å; E283-F447 HydrophobicContact CB-CD1 4.09Å; E283-F447 HydrophobicContact CB-CE1 3.5Å; E283-F447 VanDerWaalsContact CB-CE1 3.5Å; E283-F447 HydrophobicContact CB-CZ 3.98Å; E283-F447 HydrophobicContact CG-CD1 4Å; E283-F447 HydrophobicContact CG-CE1 3.89Å; E283-F447 HydrophobicContact CG-CZ 4.39Å
284	R	97.1	Very high	96.1	Very high	42 Å²	42	16.2 Å²	16.2	16%	0.158	10%	0.101	C	C	.	.	H	α-helix	trans	-54.2	-49.7	177.4	-177.4	-177.2	-175.6	-179	9.1	112	S280 E281 V286 I287 T288 E318 W319 S321 L325	S280-R284 WeakPolarHBondContact O-CB 3.24Å; S280-R284 PolarHBondContact O-N 3.3Å; E281-R284 PolarHBondContact O-N 3.08Å; E281-R284 IonicContact OE2-NH1 3.49Å; R284-V286 PolarHBondContact O-N 2.95Å; R284-I287 PolarHBondContact O-N 2.81Å; R284-T288 WeakPolarHBondContact O-CB 3.44Å; R284-T288 PolarHBondContact O-N 3.31Å; R284-T288 PolarHBondContact O-OG1 2.85Å; R284-E318 PolarHBondContact NH2-O 3.15Å; R284-W319 HydrophobicContact CB-CE3 4.3Å; R284-W319 HydrophobicContact CB-CZ3 3.96Å; R284-W319 HydrophobicContact CG-CE3 3.73Å; R284-W319 HydrophobicContact CG-CZ3 3.88Å; R284-W319 PolarHBondContact NE-O 3.2Å; R284-S321 PolarHBondContact NH2-O 3.23Å; R284-S321 PolarHBondContact NH2-OG 2.77Å; R284-S321 VanDerWaalsContact NH2-OG 3.09Å; R284-L325 HydrophobicContact CG-CD2 4.45Å
285	R	97.8	Very high	95.1	Very high	3 Å²	3	21.8 Å²	21.8	1%	0.011	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-45.4	179.7	-172.1	171.7	177.1	63.5	12.2	112.2	E281 F282 E283 S289 C324 L325 F334 E336 I338 H365	E281-R285 WeakPolarHBondContact O-CB 3.22Å; E281-R285 PolarHBondContact O-N 3.12Å; F282-R285 PolarHBondContact O-N 3.37Å; E283-R285 VanDerWaalsContact C-N 3.34Å; E283-R285 PolarHBondContact O-N 3.42Å; R285-S289 VanDerWaalsContact O-CB 3.29Å; R285-S289 WeakPolarHBondContact O-CB 3.44Å; R285-S289 PolarHBondContact O-N 3.07Å; R285-C324 WeakPolarHBondContact CD-O 3.45Å; R285-C324 PolarHBondContact NH1-O 2.86Å; R285-L325 HydrophobicContact CG-CD1 4.47Å; R285-L325 PolarHBondContact NH1-O 3.25Å; R285-F334 VanDerWaalsContact CZ-CG 3.47Å; R285-F334 VanDerWaalsContact NE-CE1 3.3Å; R285-F334 VanDerWaalsContact NE-CG 3.32Å; R285-F334 VanDerWaalsContact NH2-CG 3.28Å; R285-E336 PolarHBondContact NH2-O 3.49Å; R285-I338 HydrophobicContact CG-CD1 3.68Å; R285-I338 WeakPolarHBondContact O-CD1 3.37Å; R285-H365 PolarHBondContact NE-ND1 3.11Å
286	V	97.7	Very high	93.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.3	-48.6	179.7	174.6	0	0	0	0	111.4	F282 E283 R284 T288 S289 I290 F447	F282-V286 HydrophobicContact CD1-CG2 4Å; F282-V286 HydrophobicContact CE1-CG2 3.6Å; F282-V286 HydrophobicContact CZ-CG2 4.08Å; F282-V286 WeakPolarHBondContact O-CG2 3.37Å; F282-V286 PolarHBondContact O-N 2.95Å; E283-V286 PolarHBondContact O-N 3.09Å; R284-V286 PolarHBondContact O-N 2.95Å; V286-T288 PolarHBondContact O-N 3.07Å; V286-S289 VanDerWaalsContact O-CB 3.31Å; V286-S289 WeakPolarHBondContact O-CB 3.37Å; V286-S289 PolarHBondContact O-N 3.24Å; V286-I290 HydrophobicContact CG1-CD1 4.12Å; V286-I290 WeakPolarHBondContact O-CG1 3.27Å; V286-I290 PolarHBondContact O-N 2.74Å; V286-F447 HydrophobicContact CB-CE2 3.83Å; V286-F447 HydrophobicContact CB-CZ 4.25Å; V286-F447 HydrophobicContact CG1-CE2 3.86Å; V286-F447 HydrophobicContact CG2-CE2 3.95Å; V286-F447 HydrophobicContact CG2-CZ 4.14Å
287	I	95.5	Very high	92.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-69.8	-36	-177.1	74.7	172.3	0	0	0	111.8	E283 R284 S289 I290 A291 W319 F349	E283-I287 HydrophobicContact CG-CG2 4.35Å; E283-I287 WeakPolarHBondContact O-CG1 3.31Å; E283-I287 WeakPolarHBondContact O-CG2 3.13Å; E283-I287 PolarHBondContact O-N 3.46Å; R284-I287 PolarHBondContact O-N 2.81Å; I287-S289 VanDerWaalsContact C-N 3.31Å; I287-S289 PolarHBondContact O-N 2.74Å; I287-I290 PolarHBondContact O-N 3.14Å; I287-A291 PolarHBondContact O-N 3.42Å; I287-W319 HydrophobicContact CD1-CE3 3.59Å; I287-W319 HydrophobicContact CD1-CH2 3.57Å; I287-W319 HydrophobicContact CD1-CZ3 3.05Å; I287-W319 HydrophobicContact CG1-CE3 3.84Å; I287-W319 HydrophobicContact CG1-CZ3 3.6Å; I287-F349 HydrophobicContact CB-CE2 3.85Å; I287-F349 HydrophobicContact CB-CZ 4.08Å; I287-F349 HydrophobicContact CD1-CE2 4.08Å; I287-F349 HydrophobicContact CG1-CE2 4.27Å; I287-F349 WeakPolarHBondContact O-CZ 3.2Å
288	T	96	Very high	91.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.5	-35.5	173.5	-62.1	0	0	0	0	111.1	R284 V286 A291 A292 W319 F320 L325 I338	R284-T288 WeakPolarHBondContact O-CB 3.44Å; R284-T288 PolarHBondContact O-N 3.31Å; R284-T288 PolarHBondContact O-OG1 2.85Å; V286-T288 PolarHBondContact O-N 3.07Å; T288-A291 PolarHBondContact O-N 2.79Å; T288-A292 WeakPolarHBondContact O-CB 3.34Å; T288-A292 PolarHBondContact O-N 3.17Å; T288-W319 PolarHBondContact OG1-O 2.89Å; T288-W319 VanDerWaalsContact OG1-O 3.08Å; T288-F320 HydrophobicContact CG2-CB 4.36Å; T288-F320 HydrophobicContact CG2-CD1 3.18Å; T288-F320 HydrophobicContact CG2-CD2 3.84Å; T288-F320 HydrophobicContact CG2-CE1 3.24Å; T288-F320 HydrophobicContact CG2-CE2 3.87Å; T288-F320 HydrophobicContact CG2-CG 3.52Å; T288-F320 HydrophobicContact CG2-CZ 3.6Å; T288-L325 HydrophobicContact CG2-CD1 3.89Å; T288-I338 HydrophobicContact CG2-CG2 3.75Å
289	S	96.1	Very high	91.4	Very high	24 Å²	24	44.7 Å²	44.7	17%	0.168	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-44.8	171.2	175.7	0	0	0	0	112.4	R285 V286 I287 A291 A292 A293	R285-S289 VanDerWaalsContact O-CB 3.29Å; R285-S289 WeakPolarHBondContact O-CB 3.44Å; R285-S289 PolarHBondContact O-N 3.07Å; V286-S289 VanDerWaalsContact O-CB 3.31Å; V286-S289 WeakPolarHBondContact O-CB 3.37Å; V286-S289 PolarHBondContact O-N 3.24Å; I287-S289 VanDerWaalsContact C-N 3.31Å; I287-S289 PolarHBondContact O-N 2.74Å; S289-A291 VanDerWaalsContact C-N 3.31Å; S289-A291 PolarHBondContact O-N 3.43Å; S289-A292 PolarHBondContact O-N 3.28Å; S289-A293 PolarHBondContact O-N 3.15Å; S289-A293 VanDerWaalsContact O-N 3.14Å
290	I	95.9	Very high	91.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-42.9	174.5	-64.8	165.6	0	0	0	110.5	V286 I287 A293 S294 I300 F349 Y361	V286-I290 HydrophobicContact CG1-CD1 4.12Å; V286-I290 WeakPolarHBondContact O-CG1 3.27Å; V286-I290 PolarHBondContact O-N 2.74Å; I287-I290 PolarHBondContact O-N 3.14Å; I290-A293 PolarHBondContact O-N 3.37Å; I290-S294 PolarHBondContact O-OG 2.99Å; I290-I300 HydrophobicContact CG2-CG2 3.98Å; I290-F349 HydrophobicContact CB-CE1 4.38Å; I290-F349 HydrophobicContact CG2-CE1 3.9Å; I290-Y361 HydrophobicContact CB-CE1 4.37Å; I290-Y361 HydrophobicContact CD1-CD1 4.35Å; I290-Y361 HydrophobicContact CD1-CD2 4.29Å; I290-Y361 HydrophobicContact CD1-CG 4.15Å; I290-Y361 HydrophobicContact CG1-CD1 3.52Å; I290-Y361 HydrophobicContact CG1-CD2 4.12Å; I290-Y361 HydrophobicContact CG1-CE1 3.56Å; I290-Y361 HydrophobicContact CG1-CE2 4.16Å; I290-Y361 HydrophobicContact CG1-CG 3.81Å
291	A	95.5	Very high	91.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-44.4	177.9	0	0	0	0	0	112.4	I287 T288 S289 A293 S294 I300 F320 M344 F347 F349	I287-A291 PolarHBondContact O-N 3.42Å; T288-A291 PolarHBondContact O-N 2.79Å; S289-A291 VanDerWaalsContact C-N 3.31Å; S289-A291 PolarHBondContact O-N 3.43Å; A291-A293 VanDerWaalsContact C-N 3.26Å; A291-A293 PolarHBondContact O-N 3.4Å; A291-S294 PolarHBondContact O-N 2.86Å; A291-I300 HydrophobicContact CB-CD1 3.94Å; A291-F320 HydrophobicContact CB-CE2 4.3Å; A291-F320 HydrophobicContact CB-CZ 3.99Å; A291-M344 HydrophobicContact CB-SD 4.34Å; A291-F347 HydrophobicContact CB-CD1 4.46Å; A291-F347 HydrophobicContact CB-CD2 3.95Å; A291-F347 HydrophobicContact CB-CE1 4.45Å; A291-F347 HydrophobicContact CB-CE2 3.94Å; A291-F347 HydrophobicContact CB-CG 4.23Å; A291-F347 HydrophobicContact CB-CZ 4.2Å; A291-F349 HydrophobicContact CB-CE1 4.42Å; A291-F349 HydrophobicContact CB-CZ 4.05Å
292	A	94	Very high	91.4	Very high	25 Å²	25	41.6 Å²	41.6	21%	0.207	23%	0.234	C	C	.	.	H	α-helix	trans	-58.4	-37.8	178.7	0	0	0	0	0	112.4	T288 S289 S294 L295 F320 I338	T288-A292 WeakPolarHBondContact O-CB 3.34Å; T288-A292 PolarHBondContact O-N 3.17Å; S289-A292 PolarHBondContact O-N 3.28Å; A292-S294 PolarHBondContact O-N 2.77Å; A292-L295 WeakPolarHBondContact O-CD2 3.27Å; A292-F320 HydrophobicContact CB-CE1 3.91Å; A292-F320 HydrophobicContact CB-CZ 4.29Å; A292-I338 HydrophobicContact CB-CG2 3.99Å
293	A	92	Very high	91.4	Very high	71 Å²	71	41.7 Å²	41.7	59%	0.587	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-13.9	177.7	0	0	0	0	0	113.8	S289 I290 A291	S289-A293 PolarHBondContact O-N 3.15Å; S289-A293 VanDerWaalsContact O-N 3.14Å; I290-A293 PolarHBondContact O-N 3.37Å; A291-A293 VanDerWaalsContact C-N 3.26Å; A291-A293 PolarHBondContact O-N 3.4Å
294	S	87.3	Confident	91.4	Very high	20 Å²	20	41.4 Å²	41.4	14%	0.14	23%	0.234	C	C	.	.			trans	-106.9	58.4	-171.6	-59.3	0	0	0	0	112.2	I290 A291 A292 L296 Q297 I300	I290-S294 PolarHBondContact O-OG 2.99Å; A291-S294 PolarHBondContact O-N 2.86Å; A292-S294 PolarHBondContact O-N 2.77Å; S294-L296 PolarHBondContact O-N 3.04Å; S294-Q297 PolarHBondContact O-N 3.32Å; S294-I300 VanDerWaalsContact OG-CG2 3.26Å; S294-I300 WeakPolarHBondContact OG-CG2 3.38Å
295	L	76.3	Confident	91.4	Very high	125 Å²	125	39.5 Å²	39.5	65%	0.654	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.8	-168.9	-63.2	175.7	0	0	0	115.9	A292 P341	A292-L295 WeakPolarHBondContact O-CD2 3.27Å; L295-P341 HydrophobicContact CD2-CB 3.82Å; L295-P341 HydrophobicContact CD2-CG 3.87Å
296	L	73	Confident	91.5	Very high	172 Å²	172	39.4 Å²	39.4	90%	0.901	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-0.9	-170.1	-61.2	177	0	0	0	114.7	S294	S294-L296 PolarHBondContact O-N 3.04Å
297	Q	76.8	Confident	91.5	Very high	107 Å²	107	44.7 Å²	44.7	50%	0.5	25%	0.251	S	S	.	.			trans	-122.6	127.9	-171.6	-64.2	-179.9	55.2	0	0	111.7	S294 K299 I300	S294-Q297 PolarHBondContact O-N 3.32Å; Q297-K299 PolarHBondContact OE1-O 2.77Å; Q297-I300 HydrophobicContact CB-CG1 4.48Å; Q297-I300 VanDerWaalsContact O-CG1 3.23Å; Q297-I300 WeakPolarHBondContact O-CG1 3.36Å
298	S	75.8	Confident	91.6	Very high	86 Å²	86	47.1 Å²	47.1	60%	0.601	28%	0.276	S	S	*	.	S	Bend	trans	-81.3	-23.3	170.8	58	0	0	0	0	113.1	S348	S298-S348 PolarHBondContact O-N 3.01Å; S298-S348 PolarHBondContact O-OG 2.88Å; S298-S348 VanDerWaalsContact O-OG 3.11Å
299	K	88.5	Confident	91.7	Very high	134 Å²	134	48.5 Å²	48.5	58%	0.583	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	96.4	172.7	-67.1	179.3	-176.6	172.7	0	108.4	Q297	Q297-K299 PolarHBondContact OE1-O 2.77Å
300	I	95.4	Very high	91.7	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.5	-169.1	-59.2	173	0	0	0	108.9	I290 A291 S294 Q297 N302 M344 F347 S348 F349 N350	I290-I300 HydrophobicContact CG2-CG2 3.98Å; A291-I300 HydrophobicContact CB-CD1 3.94Å; S294-I300 VanDerWaalsContact OG-CG2 3.26Å; S294-I300 WeakPolarHBondContact OG-CG2 3.38Å; Q297-I300 HydrophobicContact CB-CG1 4.48Å; Q297-I300 VanDerWaalsContact O-CG1 3.23Å; Q297-I300 WeakPolarHBondContact O-CG1 3.36Å; I300-N302 PolarHBondContact O-N 3.23Å; I300-M344 HydrophobicContact CD1-CE 4.14Å; I300-F347 HydrophobicContact CD1-CB 3.84Å; I300-F347 HydrophobicContact CD1-CD2 4.4Å; I300-F347 HydrophobicContact CD1-CG 4.37Å; I300-S348 PolarHBondContact N-O 2.79Å; I300-F349 HydrophobicContact CB-CD1 3.65Å; I300-F349 HydrophobicContact CB-CE1 3.78Å; I300-F349 HydrophobicContact CD1-CE1 4.34Å; I300-F349 HydrophobicContact CG2-CD1 3.78Å; I300-F349 HydrophobicContact CG2-CE1 3.61Å; I300-F349 CarbonylContact O-C 3.57Å; I300-F349 VanDerWaalsContact O-CA 3.24Å; I300-F349 WeakPolarHBondContact O-CA 3.35Å; I300-N350 PolarHBondContact O-N 3.28Å
301	P	96.1	Very high	91.7	Very high	59 Å²	59	55.7 Å²	55.7	38%	0.383	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	131.8	171.2	25.3	-31	0	0	0	110	N350 T352	P301-N350 CarbonylContact C-O 3.48Å; P301-N350 WeakPolarHBondContact CA-O 3.46Å; P301-T352 HydrophobicContact CB-CG2 3.69Å
302	N	97	Very high	91.6	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	112	178.8	-170.9	-31.6	0	0	0	110.7	I300 C304 F305 F349 N350 G351 T352	I300-N302 PolarHBondContact O-N 3.23Å; N302-C304 PolarHBondContact O-N 2.81Å; N302-C304 VanDerWaalsContact OD1-CB 3.3Å; N302-C304 WeakPolarHBondContact OD1-CB 3.21Å; N302-C304 PolarHBondContact OD1-N 3.43Å; N302-F305 HydrophobicContact CB-CD2 3.95Å; N302-F305 HydrophobicContact CB-CG 4.5Å; N302-F305 PolarHBondContact O-N 2.98Å; N302-F349 HydrophobicContact CB-CB 3.81Å; N302-F349 HydrophobicContact CB-CD1 3.67Å; N302-F349 HydrophobicContact CB-CE1 4.47Å; N302-F349 HydrophobicContact CB-CG 3.85Å; N302-N350 PolarHBondContact N-O 3.09Å; N302-G351 WeakPolarHBondContact O-CA 3.25Å; N302-T352 PolarHBondContact O-N 3.16Å
303	P	97.6	Very high	91.7	Very high	2 Å²	2	66.7 Å²	66.7	1%	0.013	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.3	-178.6	29.6	-36	0	0	0	114.5	T352 Q354 E357 C358 Y361	P303-T352 VanDerWaalsContact CA-OG1 3.26Å; P303-T352 WeakPolarHBondContact CA-OG1 3.45Å; P303-Q354 HydrophobicContact CB-CB 3.94Å; P303-Q354 WeakPolarHBondContact CB-O 3.42Å; P303-Q354 CarbonylContact O-C 3.6Å; P303-Q354 PolarHBondContact O-N 3.04Å; P303-E357 HydrophobicContact CB-CB 3.76Å; P303-E357 HydrophobicContact CB-CG 3.99Å; P303-E357 HydrophobicContact CG-CB 4.16Å; P303-E357 HydrophobicContact CG-CG 3.92Å; P303-C358 HydrophobicContact CB-CB 4.31Å; P303-C358 HydrophobicContact CG-CB 4.46Å; P303-Y361 HydrophobicContact CG-CD2 3.7Å; P303-Y361 HydrophobicContact CG-CE2 3.79Å
304	C	98.1	Very high	91.8	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-11.2	-179.8	-61.8	0	0	0	0	113.8	N302 C358 C446 F447	N302-C304 PolarHBondContact O-N 2.81Å; N302-C304 VanDerWaalsContact OD1-CB 3.3Å; N302-C304 WeakPolarHBondContact OD1-CB 3.21Å; N302-C304 PolarHBondContact OD1-N 3.43Å; C304-C358 WeakPolarHBondContact CA-SG 3.39Å; C304-C358 HydrophobicContact CB-CB 3.92Å; C304-C358 WeakPolarHBondContact CB-SG 3.49Å; C304-C358 VanDerWaalsContact SG-CA 3.53Å; C304-C358 WeakPolarHBondContact SG-CB 3.23Å; C304-C358 CovalentContact SG-SG 2.04Å; C304-C358 PolarHBondContact SG-SG 2.85Å; C304-C446 WeakPolarHBondContact O-CB 3.44Å; C304-C446 PolarHBondContact O-SG 3.12Å; C304-F447 HydrophobicContact CB-CB 4.17Å; C304-F447 HydrophobicContact CB-CD2 4Å
305	F	98.1	Very high	92.2	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.009	36%	0.356	C	S	.	.	S	Bend	trans	-100	150.4	173.9	-66.5	-27.5	0	0	0	111.7	N302 Y309 F349 T352 G353	N302-F305 HydrophobicContact CB-CD2 3.95Å; N302-F305 HydrophobicContact CB-CG 4.5Å; N302-F305 PolarHBondContact O-N 2.98Å; F305-Y309 HydrophobicContact CB-CD1 3.9Å; F305-Y309 HydrophobicContact CD1-CD1 4.41Å; F305-Y309 AromaticContact CD2-CD1 3.71Å; F305-Y309 HydrophobicContact CD2-CD1 3.71Å; F305-Y309 AromaticContact CD2-CE1 3.98Å; F305-Y309 HydrophobicContact CD2-CE1 3.98Å; F305-Y309 HydrophobicContact CE2-CD1 4.32Å; F305-Y309 HydrophobicContact CE2-CE1 4.12Å; F305-Y309 AromaticContact CG-CD1 3.77Å; F305-Y309 HydrophobicContact CG-CD1 3.77Å; F305-Y309 HydrophobicContact CG-CE1 4.21Å; F305-Y309 HydrophobicContact CZ-CE1 4.47Å; F305-F349 HydrophobicContact CD2-CB 3.86Å; F305-F349 HydrophobicContact CE2-CB 3.78Å; F305-F349 AromaticContact CE2-CD2 3.83Å; F305-F349 HydrophobicContact CE2-CD2 3.83Å; F305-F349 HydrophobicContact CE2-CG 4.11Å; F305-T352 PolarHBondContact O-N 2.93Å; F305-G353 WeakPolarHBondContact O-CA 3.16Å; F305-G353 PolarHBondContact O-N 3.16Å
306	L	98.5	Very high	93.1	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-61	148.8	178.8	-82	71.8	0	0	0	111	G308 Y309 G351 F422 K425 W427 V430 C446	L306-G308 PolarHBondContact O-N 2.95Å; L306-Y309 VanDerWaalsContact O-CB 3.28Å; L306-Y309 WeakPolarHBondContact O-CB 3.44Å; L306-Y309 PolarHBondContact O-N 2.9Å; L306-G351 CarbonylContact O-C 3.16Å; L306-G351 VanDerWaalsContact O-CA 3.32Å; L306-G351 WeakPolarHBondContact O-CA 3.24Å; L306-F422 HydrophobicContact CD1-CE1 3.86Å; L306-F422 HydrophobicContact CD1-CZ 4.22Å; L306-F422 HydrophobicContact CD2-CE1 4.4Å; L306-F422 HydrophobicContact CD2-CE2 4.38Å; L306-F422 HydrophobicContact CD2-CZ 4.06Å; L306-K425 HydrophobicContact CD2-CB 4.35Å; L306-W427 HydrophobicContact CB-CB 4.16Å; L306-W427 HydrophobicContact CD2-CE3 4.32Å; L306-V430 HydrophobicContact CD2-CB 4.12Å; L306-V430 HydrophobicContact CD2-CG1 4.4Å; L306-V430 HydrophobicContact CD2-CG2 3.59Å; L306-C446 HydrophobicContact CD1-CB 3.68Å
307	Q	98.1	Very high	94.2	Very high	111 Å²	111	58.5 Å²	58.5	52%	0.519	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-56	124	-178	-171.8	-172.7	11.5	0	0	111.4	Y309 G351 W427	Q307-Y309 VanDerWaalsContact C-N 3.29Å; Q307-Y309 PolarHBondContact O-N 3.39Å; Q307-G351 WeakPolarHBondContact CA-O 3.42Å; Q307-W427 PolarHBondContact O-N 3.37Å
308	G	97.5	Very high	95	Very high	52 Å²	52	58.9 Å²	58.9	54%	0.536	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	1.4	178.4	0	0	0	0	0	115.1	L306 G351	L306-G308 PolarHBondContact O-N 2.95Å; G308-G351 PolarHBondContact N-O 3.17Å
309	Y	97.9	Very high	95.9	Very high	28 Å²	28	56.9 Å²	56.9	11%	0.11	29%	0.287	C	S	.	.			trans	-62.8	136.3	165.3	179.8	-106.9	0	0	0	109.5	F305 L306 Q307 N350 G351 W427 A443	F305-Y309 HydrophobicContact CB-CD1 3.9Å; F305-Y309 HydrophobicContact CD1-CD1 4.41Å; F305-Y309 AromaticContact CD2-CD1 3.71Å; F305-Y309 HydrophobicContact CD2-CD1 3.71Å; F305-Y309 AromaticContact CD2-CE1 3.98Å; F305-Y309 HydrophobicContact CD2-CE1 3.98Å; F305-Y309 HydrophobicContact CE2-CD1 4.32Å; F305-Y309 HydrophobicContact CE2-CE1 4.12Å; F305-Y309 AromaticContact CG-CD1 3.77Å; F305-Y309 HydrophobicContact CG-CD1 3.77Å; F305-Y309 HydrophobicContact CG-CE1 4.21Å; F305-Y309 HydrophobicContact CZ-CE1 4.47Å; L306-Y309 VanDerWaalsContact O-CB 3.28Å; L306-Y309 WeakPolarHBondContact O-CB 3.44Å; L306-Y309 PolarHBondContact O-N 2.9Å; Q307-Y309 VanDerWaalsContact C-N 3.29Å; Q307-Y309 PolarHBondContact O-N 3.39Å; Y309-N350 CarbonylContact O-C 3.55Å; Y309-N350 WeakPolarHBondContact O-CA 3.39Å; Y309-G351 PolarHBondContact O-N 3.13Å; Y309-W427 AromaticContact CD2-CD1 3.82Å; Y309-W427 AromaticContact CD2-CD2 3.65Å; Y309-W427 HydrophobicContact CD2-CD2 3.65Å; Y309-W427 AromaticContact CD2-CE2 3.55Å; Y309-W427 HydrophobicContact CD2-CE3 4.25Å; Y309-W427 AromaticContact CD2-CG 3.84Å; Y309-W427 HydrophobicContact CD2-CG 3.84Å; Y309-W427 HydrophobicContact CD2-CZ2 4.08Å; Y309-W427 AromaticContact CD2-NE1 3.63Å; Y309-W427 HydrophobicContact CE2-CD2 4.49Å; Y309-W427 HydrophobicContact CE2-CZ2 4.12Å; Y309-W427 HydrophobicContact CG-CD2 4.47Å; Y309-W427 HydrophobicContact CG-CG 4.36Å; Y309-A443 HydrophobicContact CD2-CB 3.96Å; Y309-A443 HydrophobicContact CE1-CB 4.35Å; Y309-A443 HydrophobicContact CE2-CB 3.45Å; Y309-A443 VanDerWaalsContact CE2-CB 3.45Å
310	K	96.8	Very high	96.3	Very high	161 Å²	161	51.3 Å²	51.3	70%	0.7	26%	0.263	S	S	*	.	B	Isolated β-bridge	trans	-118.3	121.6	173.3	-64.4	-179.5	-179.3	173.8	0	107.1
311	S	95.5	Very high	96.1	Very high	15 Å²	15	53.9 Å²	53.9	11%	0.105	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-73.4	166.7	176.6	74.2	0	0	0	0	111.6	Y314 F349	S311-Y314 VanDerWaalsContact CB-CE2 3.5Å; S311-Y314 WeakPolarHBondContact OG-CE2 3.18Å; S311-F349 PolarHBondContact N-O 2.83Å; S311-F349 PolarHBondContact OG-N 3.45Å
312	D	94	Very high	95.9	Very high	130 Å²	130	52 Å²	52	70%	0.695	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-62.3	165.9	160.5	-58.9	-43.8	0	0	0	111.2	Y314	D312-Y314 WeakPolarHBondContact O-CD2 3.43Å; D312-Y314 PolarHBondContact O-N 3.05Å
313	L	95.3	Very high	95.8	Very high	126 Å²	126	52.4 Å²	52.4	66%	0.66	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-77.4	116.5	173.2	-172.6	70.8	0	0	0	109.4
314	Y	95.3	Very high	95.8	Very high	27 Å²	27	52.3 Å²	52.3	11%	0.106	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	138.2	178.8	-60.8	-75.7	0	0	0	111.4	S311 D312 A316 W319 S346 F347 F349	S311-Y314 VanDerWaalsContact CB-CE2 3.5Å; S311-Y314 WeakPolarHBondContact OG-CE2 3.18Å; D312-Y314 WeakPolarHBondContact O-CD2 3.43Å; D312-Y314 PolarHBondContact O-N 3.05Å; Y314-A316 PolarHBondContact O-N 3.29Å; Y314-W319 HydrophobicContact CD1-CD2 4.01Å; Y314-W319 AromaticContact CD1-CE2 3.31Å; Y314-W319 HydrophobicContact CD1-CG 4.41Å; Y314-W319 HydrophobicContact CD1-CH2 4.35Å; Y314-W319 AromaticContact CD1-CZ2 3.49Å; Y314-W319 HydrophobicContact CD1-CZ2 3.49Å; Y314-W319 VanDerWaalsContact CD1-CZ2 3.49Å; Y314-W319 AromaticContact CD1-NE1 3.38Å; Y314-W319 AromaticContact CE1-CE2 3.8Å; Y314-W319 HydrophobicContact CE1-CH2 4.01Å; Y314-W319 AromaticContact CE1-CZ2 3.45Å; Y314-W319 HydrophobicContact CE1-CZ2 3.45Å; Y314-W319 VanDerWaalsContact CE1-CZ2 3.45Å; Y314-S346 WeakPolarHBondContact O-CA 3.37Å; Y314-S346 VanDerWaalsContact O-CB 3.27Å; Y314-S346 WeakPolarHBondContact O-CB 3.4Å; Y314-F347 AromaticContact CD2-CD2 3.84Å; Y314-F347 HydrophobicContact CD2-CD2 3.84Å; Y314-F347 AromaticContact CD2-CE2 3.6Å; Y314-F347 HydrophobicContact CD2-CE2 3.6Å; Y314-F347 HydrophobicContact CD2-CZ 4.35Å; Y314-F347 WeakPolarHBondContact CD2-O 3.32Å; Y314-F347 HydrophobicContact CE2-CE2 4.46Å; Y314-F347 HydrophobicContact CG-CD2 4.33Å; Y314-F347 AromaticContact CG-CE2 3.83Å; Y314-F347 HydrophobicContact CG-CE2 3.83Å; Y314-F347 HydrophobicContact CG-CZ 4.12Å; Y314-F347 PolarHBondContact N-O 3.17Å; Y314-F347 PolarHBondContact O-N 3.28Å; Y314-F347 VanDerWaalsContact O-N 3.13Å; Y314-F349 HydrophobicContact CD2-CD2 4.12Å; Y314-F349 HydrophobicContact CD2-CE2 4.2Å; Y314-F349 AromaticContact CE2-CD2 3.51Å; Y314-F349 HydrophobicContact CE2-CD2 3.51Å; Y314-F349 AromaticContact CE2-CE2 3.9Å; Y314-F349 HydrophobicContact CE2-CE2 3.9Å
315	N	95.8	Very high	95.7	Very high	77 Å²	77	52.3 Å²	52.3	41%	0.412	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	115.5	170.1	-178.8	-16.2	0	0	0	109.9	F317 E318 W319	N315-F317 VanDerWaalsContact C-N 3.31Å; N315-F317 PolarHBondContact O-N 2.7Å; N315-F317 WeakPolarHBondContact OD1-CB 3.08Å; N315-F317 PolarHBondContact OD1-N 3.02Å; N315-E318 HydrophobicContact CB-CB 4.05Å; N315-E318 PolarHBondContact O-N 3.44Å; N315-W319 VanDerWaalsContact O-CD1 3.27Å; N315-W319 PolarHBondContact O-N 2.99Å
316	A	94.9	Very high	95.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.9	-31.1	-176.1	0	0	0	0	0	113.1	Y314 E318 F320 R340 M344 N345 F347	Y314-A316 PolarHBondContact O-N 3.29Å; A316-E318 VanDerWaalsContact C-N 3.29Å; A316-E318 PolarHBondContact O-N 3.14Å; A316-F320 HydrophobicContact CB-CD2 4.16Å; A316-F320 HydrophobicContact CB-CE2 4.43Å; A316-F320 WeakPolarHBondContact O-CB 3.25Å; A316-F320 VanDerWaalsContact O-CD2 3.31Å; A316-F320 WeakPolarHBondContact O-CD2 3.18Å; A316-F320 PolarHBondContact O-N 3.45Å; A316-R340 HydrophobicContact CB-CG 4.15Å; A316-M344 HydrophobicContact CB-CG 4.01Å; A316-M344 VanDerWaalsContact CB-O 3.25Å; A316-M344 WeakPolarHBondContact CB-O 3.42Å; A316-N345 VanDerWaalsContact CB-C 3.43Å; A316-N345 VanDerWaalsContact CB-O 3.24Å; A316-N345 WeakPolarHBondContact CB-O 3.36Å; A316-N345 PolarHBondContact N-O 3.32Å; A316-F347 HydrophobicContact CB-CD1 4.11Å; A316-F347 HydrophobicContact CB-CE1 4.17Å
317	F	94.8	Very high	95.4	Very high	112 Å²	112	55.7 Å²	55.7	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-65.9	-36.3	176.7	-64.1	-84.6	0	0	0	111.7	N315 S321 N345	N315-F317 VanDerWaalsContact C-N 3.31Å; N315-F317 PolarHBondContact O-N 2.7Å; N315-F317 WeakPolarHBondContact OD1-CB 3.08Å; N315-F317 PolarHBondContact OD1-N 3.02Å; F317-S321 WeakPolarHBondContact O-CB 3.06Å; F317-N345 HydrophobicContact CE2-CB 4.22Å
318	E	94	Very high	95.2	Very high	115 Å²	115	55.4 Å²	55.4	54%	0.537	31%	0.308	S	S	.	.	H	α-helix	trans	-71.4	-54.7	174.4	-172.3	-172.9	157.3	0	0	110.2	R284 N315 A316 F320 S321	R284-E318 PolarHBondContact NH2-O 3.15Å; N315-E318 HydrophobicContact CB-CB 4.05Å; N315-E318 PolarHBondContact O-N 3.44Å; A316-E318 VanDerWaalsContact C-N 3.29Å; A316-E318 PolarHBondContact O-N 3.14Å; E318-F320 VanDerWaalsContact C-N 3.34Å; E318-F320 PolarHBondContact O-N 2.8Å; E318-S321 PolarHBondContact O-N 3.26Å; E318-S321 VanDerWaalsContact O-N 3.11Å; E318-S321 PolarHBondContact O-OG 2.89Å
319	W	95	Very high	95	Very high	44 Å²	44	55.7 Å²	55.7	17%	0.167	29%	0.294	C	S	.	.	H	α-helix	trans	-69.9	-25.7	-170.2	-80.5	75.3	0	0	0	115.3	R284 I287 T288 Y314 N315 F347	R284-W319 HydrophobicContact CB-CE3 4.3Å; R284-W319 HydrophobicContact CB-CZ3 3.96Å; R284-W319 HydrophobicContact CG-CE3 3.73Å; R284-W319 HydrophobicContact CG-CZ3 3.88Å; R284-W319 PolarHBondContact NE-O 3.2Å; I287-W319 HydrophobicContact CD1-CE3 3.59Å; I287-W319 HydrophobicContact CD1-CH2 3.57Å; I287-W319 HydrophobicContact CD1-CZ3 3.05Å; I287-W319 HydrophobicContact CG1-CE3 3.84Å; I287-W319 HydrophobicContact CG1-CZ3 3.6Å; T288-W319 PolarHBondContact OG1-O 2.89Å; T288-W319 VanDerWaalsContact OG1-O 3.08Å; Y314-W319 HydrophobicContact CD1-CD2 4.01Å; Y314-W319 AromaticContact CD1-CE2 3.31Å; Y314-W319 HydrophobicContact CD1-CG 4.41Å; Y314-W319 HydrophobicContact CD1-CH2 4.35Å; Y314-W319 AromaticContact CD1-CZ2 3.49Å; Y314-W319 HydrophobicContact CD1-CZ2 3.49Å; Y314-W319 VanDerWaalsContact CD1-CZ2 3.49Å; Y314-W319 AromaticContact CD1-NE1 3.38Å; Y314-W319 AromaticContact CE1-CE2 3.8Å; Y314-W319 HydrophobicContact CE1-CH2 4.01Å; Y314-W319 AromaticContact CE1-CZ2 3.45Å; Y314-W319 HydrophobicContact CE1-CZ2 3.45Å; Y314-W319 VanDerWaalsContact CE1-CZ2 3.45Å; N315-W319 VanDerWaalsContact O-CD1 3.27Å; N315-W319 PolarHBondContact O-N 2.99Å; W319-F347 HydrophobicContact CB-CE1 4.07Å; W319-F347 HydrophobicContact CB-CZ 3.84Å; W319-F347 HydrophobicContact CG-CZ 4.1Å
320	F	95.7	Very high	95	Very high	17 Å²	17	54.3 Å²	54.3	8%	0.075	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	7.9	175.1	-73.5	-95.8	0	0	0	113.9	T288 A291 A292 A316 E318 I338 F339 R340 M344 F347	T288-F320 HydrophobicContact CG2-CB 4.36Å; T288-F320 HydrophobicContact CG2-CD1 3.18Å; T288-F320 HydrophobicContact CG2-CD2 3.84Å; T288-F320 HydrophobicContact CG2-CE1 3.24Å; T288-F320 HydrophobicContact CG2-CE2 3.87Å; T288-F320 HydrophobicContact CG2-CG 3.52Å; T288-F320 HydrophobicContact CG2-CZ 3.6Å; A291-F320 HydrophobicContact CB-CE2 4.3Å; A291-F320 HydrophobicContact CB-CZ 3.99Å; A292-F320 HydrophobicContact CB-CE1 3.91Å; A292-F320 HydrophobicContact CB-CZ 4.29Å; A316-F320 HydrophobicContact CB-CD2 4.16Å; A316-F320 HydrophobicContact CB-CE2 4.43Å; A316-F320 WeakPolarHBondContact O-CB 3.25Å; A316-F320 VanDerWaalsContact O-CD2 3.31Å; A316-F320 WeakPolarHBondContact O-CD2 3.18Å; A316-F320 PolarHBondContact O-N 3.45Å; E318-F320 VanDerWaalsContact C-N 3.34Å; E318-F320 PolarHBondContact O-N 2.8Å; F320-I338 HydrophobicContact CD1-CG2 4.13Å; F320-I338 HydrophobicContact CE1-CG2 3.94Å; F320-F339 WeakPolarHBondContact CD1-O 3.45Å; F320-F339 VanDerWaalsContact CE1-O 3.25Å; F320-F339 WeakPolarHBondContact CE1-O 3.5Å; F320-R340 HydrophobicContact CB-CB 3.68Å; F320-R340 HydrophobicContact CB-CG 4.22Å; F320-R340 HydrophobicContact CD1-CB 3.91Å; F320-R340 HydrophobicContact CD2-CB 4.16Å; F320-R340 HydrophobicContact CD2-CG 3.96Å; F320-R340 HydrophobicContact CE2-CG 4.43Å; F320-R340 HydrophobicContact CG-CB 3.67Å; F320-R340 HydrophobicContact CG-CG 4Å; F320-M344 HydrophobicContact CE2-SD 3.85Å; F320-M344 HydrophobicContact CZ-SD 4.07Å; F320-F347 HydrophobicContact CD2-CE1 4.21Å; F320-F347 HydrophobicContact CE2-CD1 4.27Å; F320-F347 AromaticContact CE2-CE1 3.71Å; F320-F347 HydrophobicContact CE2-CE1 3.71Å; F320-F347 HydrophobicContact CE2-CZ 4.36Å
321	S	92.4	Very high	94.9	Very high	54 Å²	54	53.4 Å²	53.4	38%	0.378	28%	0.284	S	S	.	.			trans	-92	166.2	171.9	69.9	0	0	0	0	112.1	R284 F317 E318 L325	R284-S321 PolarHBondContact NH2-O 3.23Å; R284-S321 PolarHBondContact NH2-OG 2.77Å; R284-S321 VanDerWaalsContact NH2-OG 3.09Å; F317-S321 WeakPolarHBondContact O-CB 3.06Å; E318-S321 PolarHBondContact O-N 3.26Å; E318-S321 VanDerWaalsContact O-N 3.11Å; E318-S321 PolarHBondContact O-OG 2.89Å; S321-L325 WeakPolarHBondContact O-CD2 3.3Å
322	G	92.2	Very high	94.7	Very high	18 Å²	18	60.8 Å²	60.8	19%	0.186	31%	0.314	C	S	.	.	S	Bend	trans	103.1	160.1	166.7	0	0	0	0	0	116.2	E163 C324 L325	E163-G322 WeakPolarHBondContact OE1-CA 3.29Å; G322-C324 PolarHBondContact O-N 2.94Å; G322-C324 VanDerWaalsContact O-N 3.12Å; G322-L325 PolarHBondContact O-N 3.49Å; G322-L325 VanDerWaalsContact O-N 3.17Å
323	S	94.2	Very high	94.7	Very high	10 Å²	10	55.3 Å²	55.3	7%	0.07	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.2	-170.3	-77.1	0	0	0	0	115.7	I162 E163 V330	I162-S323 WeakPolarHBondContact CB-OG 3.34Å; I162-S323 WeakPolarHBondContact CG2-OG 3.24Å; E163-S323 WeakPolarHBondContact CG-OG 3.45Å; E163-S323 PolarHBondContact OE1-N 3.3Å; S323-V330 VanDerWaalsContact O-CG2 3.24Å; S323-V330 WeakPolarHBondContact O-CG2 3.5Å
324	C	97.3	Very high	94.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-1.6	177.6	-64.6	0	0	0	0	113.8	L159 C276 R285 G322	L159-C324 WeakPolarHBondContact CD2-SG 3.38Å; C276-C324 WeakPolarHBondContact CA-SG 3.25Å; C276-C324 HydrophobicContact CB-CB 3.67Å; C276-C324 WeakPolarHBondContact CB-SG 3.31Å; C276-C324 WeakPolarHBondContact SG-CA 3.08Å; C276-C324 WeakPolarHBondContact SG-CB 3.27Å; C276-C324 CovalentContact SG-SG 2.03Å; C276-C324 PolarHBondContact SG-SG 2.84Å; R285-C324 WeakPolarHBondContact CD-O 3.45Å; R285-C324 PolarHBondContact NH1-O 2.86Å; G322-C324 PolarHBondContact O-N 2.94Å; G322-C324 VanDerWaalsContact O-N 3.12Å
325	L	97.4	Very high	94.6	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-46.4	-175	-71.6	-61.6	0	0	0	112	R284 R285 T288 S321 G322 I338	R284-L325 HydrophobicContact CG-CD2 4.45Å; R285-L325 HydrophobicContact CG-CD1 4.47Å; R285-L325 PolarHBondContact NH1-O 3.25Å; T288-L325 HydrophobicContact CG2-CD1 3.89Å; S321-L325 WeakPolarHBondContact O-CD2 3.3Å; G322-L325 PolarHBondContact O-N 3.49Å; G322-L325 VanDerWaalsContact O-N 3.17Å; L325-I338 HydrophobicContact CD1-CB 4.25Å; L325-I338 HydrophobicContact CD1-CD1 4.06Å; L325-I338 PolarHBondContact O-N 3.04Å
326	S	95.8	Very high	94.5	Very high	42 Å²	42	55.6 Å²	55.6	29%	0.294	30%	0.296	S	S	.	.	S	Bend	trans	-143.8	166.1	179	61.2	0	0	0	0	111.9
327	G	94.4	Very high	94.6	Very high	30 Å²	30	58.2 Å²	58.2	31%	0.309	31%	0.308	S	S	.	.	S	Bend	trans	109.4	-179.4	176.2	0	0	0	0	0	113.7	Y329 V330 K331 E337	G327-Y329 VanDerWaalsContact C-N 3.28Å; G327-Y329 PolarHBondContact O-N 2.76Å; G327-V330 PolarHBondContact O-N 2.73Å; G327-V330 VanDerWaalsContact O-N 3.1Å; G327-K331 PolarHBondContact O-N 3.18Å; G327-E337 PolarHBondContact N-OE1 2.9Å
328	T	92.8	Very high	94.7	Very high	105 Å²	105	53.4 Å²	53.4	64%	0.644	29%	0.287	S	S	*	.	H	α-helix	trans	-59.3	-36.8	-172.5	-53.6	0	0	0	0	113.2	K332	T328-K332 WeakPolarHBondContact O-CG 3.28Å; T328-K332 PolarHBondContact O-N 3.39Å
329	Y	94.5	Very high	94.8	Very high	58 Å²	58	53.9 Å²	53.9	23%	0.227	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-44.4	177	179.7	-101.5	0	0	0	111.7	I162 L275 C276 G327 K332 T333	I162-Y329 HydrophobicContact CD1-CD2 4.3Å; I162-Y329 HydrophobicContact CD1-CG 4.14Å; L275-Y329 WeakPolarHBondContact CB-OH 3.02Å; L275-Y329 HydrophobicContact CD2-CE1 4.44Å; L275-Y329 HydrophobicContact CD2-CE2 4.41Å; L275-Y329 PolarHBondContact O-OH 3.22Å; C276-Y329 HydrophobicContact CB-CE1 4.35Å; C276-Y329 VanDerWaalsContact SG-CE1 3.55Å; G327-Y329 VanDerWaalsContact C-N 3.28Å; G327-Y329 PolarHBondContact O-N 2.76Å; Y329-K332 PolarHBondContact O-N 3.05Å; Y329-T333 HydrophobicContact CE1-CG2 4.24Å; Y329-T333 WeakPolarHBondContact CE2-OG1 3.08Å; Y329-T333 VanDerWaalsContact CZ-OG1 3.27Å; Y329-T333 WeakPolarHBondContact O-CB 3.34Å; Y329-T333 PolarHBondContact O-N 3.47Å; Y329-T333 VanDerWaalsContact O-N 3.07Å; Y329-T333 PolarHBondContact O-OG1 2.87Å
330	V	96.6	Very high	94.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-45.5	179	174.2	0	0	0	0	111.2	S323 G327 K332 T333 F334 E337	S323-V330 VanDerWaalsContact O-CG2 3.24Å; S323-V330 WeakPolarHBondContact O-CG2 3.5Å; G327-V330 PolarHBondContact O-N 2.73Å; G327-V330 VanDerWaalsContact O-N 3.1Å; V330-K332 PolarHBondContact O-N 2.99Å; V330-K332 VanDerWaalsContact O-N 3.11Å; V330-T333 PolarHBondContact O-N 2.61Å; V330-F334 HydrophobicContact CB-CD2 4.35Å; V330-F334 HydrophobicContact CG1-CB 4.13Å; V330-F334 HydrophobicContact CG1-CD2 3.95Å; V330-F334 HydrophobicContact CG1-CG 4.48Å; V330-F334 HydrophobicContact CG2-CD2 4.33Å; V330-F334 PolarHBondContact O-N 2.91Å; V330-E337 HydrophobicContact CB-CG 4.46Å; V330-E337 HydrophobicContact CG1-CG 3.92Å
331	K	94.5	Very high	94.6	Very high	141 Å²	141	55.5 Å²	55.5	61%	0.613	30%	0.295	S	S	*	.	H	α-helix	trans	-57.4	-27.2	177.4	-68.5	178.1	180	-179.9	0	113.9	G327 E337	G327-K331 PolarHBondContact O-N 3.18Å; K331-E337 WeakPolarHBondContact CE-OE1 3.42Å; K331-E337 WeakPolarHBondContact CE-OE2 3.44Å; K331-E337 HydrophobicContact CG-CG 4.09Å; K331-E337 IonicContact NZ-OE2 2.9Å
332	K	92	Very high	94.5	Very high	170 Å²	170	58 Å²	58	74%	0.739	31%	0.31	S	S	*	.	H	α-helix	trans	-86.6	-29.2	176.7	-69.5	179.5	179.4	-176.5	0	113	T328 Y329 V330	T328-K332 WeakPolarHBondContact O-CG 3.28Å; T328-K332 PolarHBondContact O-N 3.39Å; Y329-K332 PolarHBondContact O-N 3.05Å; V330-K332 PolarHBondContact O-N 2.99Å; V330-K332 VanDerWaalsContact O-N 3.11Å
333	T	93.9	Very high	94.4	Very high	16 Å²	16	65 Å²	65	10%	0.098	34%	0.343	C	S	.	.	H	α-helix	trans	-102.9	-35.1	-167.6	-52.1	0	0	0	0	112.5	Y277 Y329 V330 Q367 N378	Y277-T333 HydrophobicContact CE2-CG2 4.06Å; Y329-T333 HydrophobicContact CE1-CG2 4.24Å; Y329-T333 WeakPolarHBondContact CE2-OG1 3.08Å; Y329-T333 VanDerWaalsContact CZ-OG1 3.27Å; Y329-T333 WeakPolarHBondContact O-CB 3.34Å; Y329-T333 PolarHBondContact O-N 3.47Å; Y329-T333 VanDerWaalsContact O-N 3.07Å; Y329-T333 PolarHBondContact O-OG1 2.87Å; V330-T333 PolarHBondContact O-N 2.61Å; T333-Q367 PolarHBondContact O-NE2 2.89Å; T333-N378 WeakPolarHBondContact CG2-ND2 3.46Å; T333-N378 VanDerWaalsContact O-CG 3.29Å; T333-N378 PolarHBondContact O-ND2 2.96Å; T333-N378 PolarHBondContact O-OD1 2.86Å
334	F	95.8	Very high	94.3	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.018	34%	0.344	C	S	.	.	S	Bend	trans	-121.3	156.4	-177.2	-58.6	-80.8	0	0	0	111	C276 Y277 R285 V330 E336 H365 Q367	C276-F334 HydrophobicContact CB-CE2 3.93Å; C276-F334 HydrophobicContact CB-CZ 3.81Å; Y277-F334 HydrophobicContact CD2-CZ 4.37Å; Y277-F334 HydrophobicContact CE1-CE1 4.24Å; Y277-F334 AromaticContact CE2-CE1 3.69Å; Y277-F334 HydrophobicContact CE2-CE1 3.69Å; Y277-F334 AromaticContact CE2-CZ 3.73Å; Y277-F334 HydrophobicContact CE2-CZ 3.73Å; Y277-F334 AromaticContact CZ-CE1 3.46Å; Y277-F334 VanDerWaalsContact CZ-CE1 3.46Å; Y277-F334 WeakPolarHBondContact OH-CE1 3.4Å; R285-F334 VanDerWaalsContact CZ-CG 3.47Å; R285-F334 VanDerWaalsContact NE-CE1 3.3Å; R285-F334 VanDerWaalsContact NE-CG 3.32Å; R285-F334 VanDerWaalsContact NH2-CG 3.28Å; V330-F334 HydrophobicContact CB-CD2 4.35Å; V330-F334 HydrophobicContact CG1-CB 4.13Å; V330-F334 HydrophobicContact CG1-CD2 3.95Å; V330-F334 HydrophobicContact CG1-CG 4.48Å; V330-F334 HydrophobicContact CG2-CD2 4.33Å; V330-F334 PolarHBondContact O-N 2.91Å; F334-E336 VanDerWaalsContact C-N 3.32Å; F334-E336 PolarHBondContact O-N 3.12Å; F334-H365 HydrophobicContact CD1-CB 4.34Å; F334-H365 WeakPolarHBondContact CD1-O 3.36Å; F334-H365 HydrophobicContact CE1-CB 4.32Å; F334-Q367 VanDerWaalsContact CA-NE2 3.3Å
335	A	92.6	Very high	94.1	Very high	79 Å²	79	70 Å²	70	65%	0.653	37%	0.369	S	S	*	.	S	Bend	trans	-67.2	-32.7	179.6	0	0	0	0	0	113
336	E	94.3	Very high	94	Very high	152 Å²	152	72.6 Å²	72.6	71%	0.71	39%	0.387	S	S	*	.			trans	-137.2	147.8	-172.2	-64.9	177.8	179.5	0	0	111.6	R285 F334	R285-E336 PolarHBondContact NH2-O 3.49Å; F334-E336 VanDerWaalsContact C-N 3.32Å; F334-E336 PolarHBondContact O-N 3.12Å
337	E	96.7	Very high	93.9	Very high	55 Å²	55	70.7 Å²	70.7	26%	0.257	37%	0.373	S	S	.	.			trans	-86.9	154.2	166.8	-65.5	179	104.3	0	0	110.4	G327 V330 K331 F339	G327-E337 PolarHBondContact N-OE1 2.9Å; V330-E337 HydrophobicContact CB-CG 4.46Å; V330-E337 HydrophobicContact CG1-CG 3.92Å; K331-E337 WeakPolarHBondContact CE-OE1 3.42Å; K331-E337 WeakPolarHBondContact CE-OE2 3.44Å; K331-E337 HydrophobicContact CG-CG 4.09Å; K331-E337 IonicContact NZ-OE2 2.9Å; E337-F339 HydrophobicContact CB-CD2 4.33Å; E337-F339 HydrophobicContact CB-CE2 3.51Å; E337-F339 HydrophobicContact CB-CZ 3.68Å; E337-F339 HydrophobicContact CG-CZ 4.36Å
338	I	96.9	Very high	94	Very high	12 Å²	12	70.3 Å²	70.3	6%	0.062	37%	0.366	C	S	.	.			trans	-117.7	121.3	179.5	-55.8	167	0	0	0	108.6	R285 T288 A292 F320 L325	R285-I338 HydrophobicContact CG-CD1 3.68Å; R285-I338 WeakPolarHBondContact O-CD1 3.37Å; T288-I338 HydrophobicContact CG2-CG2 3.75Å; A292-I338 HydrophobicContact CB-CG2 3.99Å; F320-I338 HydrophobicContact CD1-CG2 4.13Å; F320-I338 HydrophobicContact CE1-CG2 3.94Å; L325-I338 HydrophobicContact CD1-CB 4.25Å; L325-I338 HydrophobicContact CD1-CD1 4.06Å; L325-I338 PolarHBondContact O-N 3.04Å
339	F	95.6	Very high	94.2	Very high	125 Å²	125	65.3 Å²	65.3	55%	0.548	34%	0.336	S	S	.	.			trans	-116.9	148.3	-179.4	-60.9	-76.3	0	0	0	111.4	F320 E337 P341	F320-F339 WeakPolarHBondContact CD1-O 3.45Å; F320-F339 VanDerWaalsContact CE1-O 3.25Å; F320-F339 WeakPolarHBondContact CE1-O 3.5Å; E337-F339 HydrophobicContact CB-CD2 4.33Å; E337-F339 HydrophobicContact CB-CE2 3.51Å; E337-F339 HydrophobicContact CB-CZ 3.68Å; E337-F339 HydrophobicContact CG-CZ 4.36Å; F339-P341 WeakPolarHBondContact O-CD 3.45Å
340	R	94.5	Very high	94.3	Very high	81 Å²	81	65.4 Å²	65.4	31%	0.306	34%	0.34	S	S	.	.			trans	-64.7	127	175.4	-168.9	-179.9	62	76	4.6	109.8	A316 F320 P342 M344	A316-R340 HydrophobicContact CB-CG 4.15Å; F320-R340 HydrophobicContact CB-CB 3.68Å; F320-R340 HydrophobicContact CB-CG 4.22Å; F320-R340 HydrophobicContact CD1-CB 3.91Å; F320-R340 HydrophobicContact CD2-CB 4.16Å; F320-R340 HydrophobicContact CD2-CG 3.96Å; F320-R340 HydrophobicContact CE2-CG 4.43Å; F320-R340 HydrophobicContact CG-CB 3.67Å; F320-R340 HydrophobicContact CG-CG 4Å; R340-P342 PolarHBondContact NH1-O 3.24Å; R340-M344 WeakPolarHBondContact CD-O 3.34Å; R340-M344 PolarHBondContact NH1-O 3.24Å
341	P	92.9	Very high	94.4	Very high	13 Å²	13	65.8 Å²	65.8	8%	0.084	34%	0.344	C	S	.	.			trans	-57.7	137.6	169.3	-25.3	35.2	0	0	0	110.8	L295 F339 N343 M344	L295-P341 HydrophobicContact CD2-CB 3.82Å; L295-P341 HydrophobicContact CD2-CG 3.87Å; F339-P341 WeakPolarHBondContact O-CD 3.45Å; P341-N343 VanDerWaalsContact C-N 3.28Å; P341-N343 PolarHBondContact O-N 3Å; P341-N343 VanDerWaalsContact O-N 3.12Å; P341-M344 HydrophobicContact CB-CB 3.96Å; P341-M344 HydrophobicContact CG-CB 4.3Å; P341-M344 HydrophobicContact CG-CE 4.03Å; P341-M344 HydrophobicContact CG-SD 4.17Å; P341-M344 PolarHBondContact O-N 3.13Å
342	P	90.3	Very high	94.6	Very high	108 Å²	108	61 Å²	61	70%	0.701	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-42.7	-171.6	-30.1	34.8	0	0	0	114.5	R340	R340-P342 PolarHBondContact NH1-O 3.24Å
343	N	89.2	Confident	94.8	Very high	164 Å²	164	53.4 Å²	53.4	88%	0.877	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	11.5	-175.5	-60.6	-31	0	0	0	114	P341	P341-N343 VanDerWaalsContact C-N 3.28Å; P341-N343 PolarHBondContact O-N 3Å; P341-N343 VanDerWaalsContact O-N 3.12Å
344	M	92.1	Very high	95.1	Very high	15 Å²	15	57 Å²	57	7%	0.074	31%	0.312	C	S	.	.			trans	-101	104.5	179.1	-173.8	177.7	-72.8	0	0	110.2	A291 I300 A316 F320 R340 P341 F347	A291-M344 HydrophobicContact CB-SD 4.34Å; I300-M344 HydrophobicContact CD1-CE 4.14Å; A316-M344 HydrophobicContact CB-CG 4.01Å; A316-M344 VanDerWaalsContact CB-O 3.25Å; A316-M344 WeakPolarHBondContact CB-O 3.42Å; F320-M344 HydrophobicContact CE2-SD 3.85Å; F320-M344 HydrophobicContact CZ-SD 4.07Å; R340-M344 WeakPolarHBondContact CD-O 3.34Å; R340-M344 PolarHBondContact NH1-O 3.24Å; P341-M344 HydrophobicContact CB-CB 3.96Å; P341-M344 HydrophobicContact CG-CB 4.3Å; P341-M344 HydrophobicContact CG-CE 4.03Å; P341-M344 HydrophobicContact CG-SD 4.17Å; P341-M344 PolarHBondContact O-N 3.13Å; M344-F347 HydrophobicContact CG-CD1 4.24Å; M344-F347 HydrophobicContact SD-CB 4.18Å; M344-F347 HydrophobicContact SD-CD1 3.75Å; M344-F347 HydrophobicContact SD-CG 4.19Å
345	N	93.8	Very high	95.2	Very high	101 Å²	101	57 Å²	57	54%	0.54	31%	0.313	S	S	.	.	S	Bend	trans	-95	-31.2	173.2	-66.3	-21.4	0	0	0	111.9	A316 F317	A316-N345 VanDerWaalsContact CB-C 3.43Å; A316-N345 VanDerWaalsContact CB-O 3.24Å; A316-N345 WeakPolarHBondContact CB-O 3.36Å; A316-N345 PolarHBondContact N-O 3.32Å; F317-N345 HydrophobicContact CE2-CB 4.22Å
346	S	94.5	Very high	95.5	Very high	54 Å²	54	58.5 Å²	58.5	38%	0.378	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	156.3	177.9	60	0	0	0	0	110.4	Y314	Y314-S346 WeakPolarHBondContact O-CA 3.37Å; Y314-S346 VanDerWaalsContact O-CB 3.27Å; Y314-S346 WeakPolarHBondContact O-CB 3.4Å
347	F	95.1	Very high	95.7	Very high	1 Å²	1	54.9 Å²	54.9	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	161.5	176.6	59.2	-86	0	0	0	111	A291 I300 Y314 A316 W319 F320 M344 F349	A291-F347 HydrophobicContact CB-CD1 4.46Å; A291-F347 HydrophobicContact CB-CD2 3.95Å; A291-F347 HydrophobicContact CB-CE1 4.45Å; A291-F347 HydrophobicContact CB-CE2 3.94Å; A291-F347 HydrophobicContact CB-CG 4.23Å; A291-F347 HydrophobicContact CB-CZ 4.2Å; I300-F347 HydrophobicContact CD1-CB 3.84Å; I300-F347 HydrophobicContact CD1-CD2 4.4Å; I300-F347 HydrophobicContact CD1-CG 4.37Å; Y314-F347 AromaticContact CD2-CD2 3.84Å; Y314-F347 HydrophobicContact CD2-CD2 3.84Å; Y314-F347 AromaticContact CD2-CE2 3.6Å; Y314-F347 HydrophobicContact CD2-CE2 3.6Å; Y314-F347 HydrophobicContact CD2-CZ 4.35Å; Y314-F347 WeakPolarHBondContact CD2-O 3.32Å; Y314-F347 HydrophobicContact CE2-CE2 4.46Å; Y314-F347 HydrophobicContact CG-CD2 4.33Å; Y314-F347 AromaticContact CG-CE2 3.83Å; Y314-F347 HydrophobicContact CG-CE2 3.83Å; Y314-F347 HydrophobicContact CG-CZ 4.12Å; Y314-F347 PolarHBondContact N-O 3.17Å; Y314-F347 PolarHBondContact O-N 3.28Å; Y314-F347 VanDerWaalsContact O-N 3.13Å; A316-F347 HydrophobicContact CB-CD1 4.11Å; A316-F347 HydrophobicContact CB-CE1 4.17Å; W319-F347 HydrophobicContact CB-CE1 4.07Å; W319-F347 HydrophobicContact CB-CZ 3.84Å; W319-F347 HydrophobicContact CG-CZ 4.1Å; F320-F347 HydrophobicContact CD2-CE1 4.21Å; F320-F347 HydrophobicContact CE2-CD1 4.27Å; F320-F347 AromaticContact CE2-CE1 3.71Å; F320-F347 HydrophobicContact CE2-CE1 3.71Å; F320-F347 HydrophobicContact CE2-CZ 4.36Å; M344-F347 HydrophobicContact CG-CD1 4.24Å; M344-F347 HydrophobicContact SD-CB 4.18Å; M344-F347 HydrophobicContact SD-CD1 3.75Å; M344-F347 HydrophobicContact SD-CG 4.19Å; F347-F349 HydrophobicContact CD2-CE1 4.41Å; F347-F349 AromaticContact CD2-CE2 3.89Å; F347-F349 HydrophobicContact CD2-CE2 3.89Å; F347-F349 AromaticContact CD2-CZ 3.8Å; F347-F349 HydrophobicContact CD2-CZ 3.8Å; F347-F349 HydrophobicContact CE2-CD2 4.45Å; F347-F349 AromaticContact CE2-CE2 3.52Å; F347-F349 HydrophobicContact CE2-CE2 3.52Å; F347-F349 AromaticContact CE2-CZ 3.61Å; F347-F349 HydrophobicContact CE2-CZ 3.61Å
348	S	96.4	Very high	95.7	Very high	23 Å²	23	52.3 Å²	52.3	16%	0.161	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	154.8	174.9	60.5	0	0	0	0	109.6	S298 I300	S298-S348 PolarHBondContact O-N 3.01Å; S298-S348 PolarHBondContact O-OG 2.88Å; S298-S348 VanDerWaalsContact O-OG 3.11Å; I300-S348 PolarHBondContact N-O 2.79Å
349	F	96.8	Very high	95.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.4	-179.9	-67.4	-62.4	0	0	0	112.4	I287 I290 A291 I300 N302 F305 S311 Y314 F347	I287-F349 HydrophobicContact CB-CE2 3.85Å; I287-F349 HydrophobicContact CB-CZ 4.08Å; I287-F349 HydrophobicContact CD1-CE2 4.08Å; I287-F349 HydrophobicContact CG1-CE2 4.27Å; I287-F349 WeakPolarHBondContact O-CZ 3.2Å; I290-F349 HydrophobicContact CB-CE1 4.38Å; I290-F349 HydrophobicContact CG2-CE1 3.9Å; A291-F349 HydrophobicContact CB-CE1 4.42Å; A291-F349 HydrophobicContact CB-CZ 4.05Å; I300-F349 HydrophobicContact CB-CD1 3.65Å; I300-F349 HydrophobicContact CB-CE1 3.78Å; I300-F349 HydrophobicContact CD1-CE1 4.34Å; I300-F349 HydrophobicContact CG2-CD1 3.78Å; I300-F349 HydrophobicContact CG2-CE1 3.61Å; I300-F349 CarbonylContact O-C 3.57Å; I300-F349 VanDerWaalsContact O-CA 3.24Å; I300-F349 WeakPolarHBondContact O-CA 3.35Å; N302-F349 HydrophobicContact CB-CB 3.81Å; N302-F349 HydrophobicContact CB-CD1 3.67Å; N302-F349 HydrophobicContact CB-CE1 4.47Å; N302-F349 HydrophobicContact CB-CG 3.85Å; F305-F349 HydrophobicContact CD2-CB 3.86Å; F305-F349 HydrophobicContact CE2-CB 3.78Å; F305-F349 AromaticContact CE2-CD2 3.83Å; F305-F349 HydrophobicContact CE2-CD2 3.83Å; F305-F349 HydrophobicContact CE2-CG 4.11Å; S311-F349 PolarHBondContact N-O 2.83Å; S311-F349 PolarHBondContact OG-N 3.45Å; Y314-F349 HydrophobicContact CD2-CD2 4.12Å; Y314-F349 HydrophobicContact CD2-CE2 4.2Å; Y314-F349 AromaticContact CE2-CD2 3.51Å; Y314-F349 HydrophobicContact CE2-CD2 3.51Å; Y314-F349 AromaticContact CE2-CE2 3.9Å; Y314-F349 HydrophobicContact CE2-CE2 3.9Å; F347-F349 HydrophobicContact CD2-CE1 4.41Å; F347-F349 AromaticContact CD2-CE2 3.89Å; F347-F349 HydrophobicContact CD2-CE2 3.89Å; F347-F349 AromaticContact CD2-CZ 3.8Å; F347-F349 HydrophobicContact CD2-CZ 3.8Å; F347-F349 HydrophobicContact CE2-CD2 4.45Å; F347-F349 AromaticContact CE2-CE2 3.52Å; F347-F349 HydrophobicContact CE2-CE2 3.52Å; F347-F349 AromaticContact CE2-CZ 3.61Å; F347-F349 HydrophobicContact CE2-CZ 3.61Å
350	N	96.9	Very high	95.9	Very high	60 Å²	60	52 Å²	52	32%	0.321	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.9	163.6	-72.3	-20.9	0	0	0	108.8	I300 P301 N302 Y309	I300-N350 PolarHBondContact O-N 3.28Å; P301-N350 CarbonylContact C-O 3.48Å; P301-N350 WeakPolarHBondContact CA-O 3.46Å; N302-N350 PolarHBondContact N-O 3.09Å; Y309-N350 CarbonylContact O-C 3.55Å; Y309-N350 WeakPolarHBondContact O-CA 3.39Å
351	G	97.9	Very high	96.1	Very high	7 Å²	7	50 Å²	50	7%	0.072	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	132.6	178.2	0	0	0	0	0	112.4	N302 L306 Q307 G308 Y309	N302-G351 WeakPolarHBondContact O-CA 3.25Å; L306-G351 CarbonylContact O-C 3.16Å; L306-G351 VanDerWaalsContact O-CA 3.32Å; L306-G351 WeakPolarHBondContact O-CA 3.24Å; Q307-G351 WeakPolarHBondContact CA-O 3.42Å; G308-G351 PolarHBondContact N-O 3.17Å; Y309-G351 PolarHBondContact O-N 3.13Å
352	T	97.8	Very high	96.4	Very high	41 Å²	41	49.4 Å²	49.4	25%	0.252	28%	0.275	S	S	.	.			trans	-103	-16	179.9	68.6	0	0	0	0	113.2	P301 N302 P303 F305 Q354	P301-T352 HydrophobicContact CB-CG2 3.69Å; N302-T352 PolarHBondContact O-N 3.16Å; P303-T352 VanDerWaalsContact CA-OG1 3.26Å; P303-T352 WeakPolarHBondContact CA-OG1 3.45Å; F305-T352 PolarHBondContact O-N 2.93Å; T352-Q354 VanDerWaalsContact CB-OE1 3.29Å; T352-Q354 PolarHBondContact OG1-OE1 2.92Å
353	G	97.9	Very high	96.7	Very high	10 Å²	10	47.6 Å²	47.6	10%	0.103	26%	0.259	C	S	.	.			trans	68.1	36.4	-179.9	0	0	0	0	0	113.9	F305 P355 C423	F305-G353 WeakPolarHBondContact O-CA 3.16Å; F305-G353 PolarHBondContact O-N 3.16Å; G353-P355 WeakPolarHBondContact O-CD 3.39Å; G353-C423 WeakPolarHBondContact CA-O 3.13Å
354	Q	98.5	Very high	97.1	Very high	93 Å²	93	46.3 Å²	46.3	44%	0.435	25%	0.245	S	C	.	.			trans	-110.6	78.3	-175.5	-70.6	171.7	-54.5	0	0	111.4	P303 T352 N356 E357 C358	P303-Q354 HydrophobicContact CB-CB 3.94Å; P303-Q354 WeakPolarHBondContact CB-O 3.42Å; P303-Q354 CarbonylContact O-C 3.6Å; P303-Q354 PolarHBondContact O-N 3.04Å; T352-Q354 VanDerWaalsContact CB-OE1 3.29Å; T352-Q354 PolarHBondContact OG1-OE1 2.92Å; Q354-N356 VanDerWaalsContact C-N 3.34Å; Q354-N356 PolarHBondContact O-N 2.82Å; Q354-E357 HydrophobicContact CB-CB 4.2Å; Q354-E357 PolarHBondContact O-N 2.85Å; Q354-E357 VanDerWaalsContact O-N 3.11Å; Q354-E357 PolarHBondContact OE1-OE2 3.49Å; Q354-C358 PolarHBondContact O-N 3.18Å; Q354-C358 VanDerWaalsContact O-N 3.13Å
355	P	98.4	Very high	97.3	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-31.9	-169.6	24.2	-35.5	0	0	0	114.8	G353 E357 C358 V359 M420 C423 K424 L450	G353-P355 WeakPolarHBondContact O-CD 3.39Å; P355-E357 VanDerWaalsContact C-N 3.31Å; P355-E357 PolarHBondContact O-N 2.91Å; P355-C358 WeakPolarHBondContact O-CB 3.12Å; P355-C358 PolarHBondContact O-N 3.18Å; P355-V359 WeakPolarHBondContact O-CG2 3.12Å; P355-V359 PolarHBondContact O-N 3.46Å; P355-M420 HydrophobicContact CB-CE 3.95Å; P355-M420 HydrophobicContact CB-SD 3.54Å; P355-M420 VanDerWaalsContact CB-SD 3.54Å; P355-M420 HydrophobicContact CG-CE 3.61Å; P355-M420 HydrophobicContact CG-SD 3.78Å; P355-C423 HydrophobicContact CB-CB 3.7Å; P355-C423 HydrophobicContact CG-CB 3.93Å; P355-K424 HydrophobicContact CG-CG 4.25Å; P355-L450 HydrophobicContact CB-CD1 3.85Å; P355-L450 HydrophobicContact CB-CD2 4.28Å
356	N	98.5	Very high	97.5	Very high	110 Å²	110	42 Å²	42	59%	0.588	22%	0.221	S	C	*	.	H	α-helix	trans	-62.5	-39.9	175.9	-72.9	-20.8	0	0	0	112	Q354 V359 N360 M420	Q354-N356 VanDerWaalsContact C-N 3.34Å; Q354-N356 PolarHBondContact O-N 2.82Å; N356-V359 PolarHBondContact O-N 3.43Å; N356-N360 PolarHBondContact O-N 2.94Å; N356-N360 VanDerWaalsContact O-N 3.16Å; N356-M420 WeakPolarHBondContact OD1-CE 3.17Å
357	E	98.2	Very high	97.5	Very high	76 Å²	76	42.3 Å²	42.3	36%	0.355	22%	0.217	S	C	.	.	H	α-helix	trans	-70	-38.3	177	-169.6	-177.4	154.9	0	0	110.8	P303 Q354 P355 V359 N360 Y361	P303-E357 HydrophobicContact CB-CB 3.76Å; P303-E357 HydrophobicContact CB-CG 3.99Å; P303-E357 HydrophobicContact CG-CB 4.16Å; P303-E357 HydrophobicContact CG-CG 3.92Å; Q354-E357 HydrophobicContact CB-CB 4.2Å; Q354-E357 PolarHBondContact O-N 2.85Å; Q354-E357 VanDerWaalsContact O-N 3.11Å; Q354-E357 PolarHBondContact OE1-OE2 3.49Å; P355-E357 VanDerWaalsContact C-N 3.31Å; P355-E357 PolarHBondContact O-N 2.91Å; E357-V359 VanDerWaalsContact C-N 3.35Å; E357-V359 PolarHBondContact O-N 2.98Å; E357-N360 WeakPolarHBondContact O-CB 3.42Å; E357-N360 PolarHBondContact O-N 3.07Å; E357-N360 VanDerWaalsContact O-N 3.16Å; E357-Y361 HydrophobicContact CG-CD2 4.34Å; E357-Y361 HydrophobicContact CG-CE2 4.11Å; E357-Y361 WeakPolarHBondContact O-CD2 3.29Å; E357-Y361 PolarHBondContact O-N 2.79Å; E357-Y361 VanDerWaalsContact O-N 3.07Å
358	C	98.6	Very high	97.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-44.3	171.9	-178.6	0	0	0	0	112.4	P303 C304 Q354 P355 N360 Y361 I362 L450	P303-C358 HydrophobicContact CB-CB 4.31Å; P303-C358 HydrophobicContact CG-CB 4.46Å; C304-C358 WeakPolarHBondContact CA-SG 3.39Å; C304-C358 HydrophobicContact CB-CB 3.92Å; C304-C358 WeakPolarHBondContact CB-SG 3.49Å; C304-C358 VanDerWaalsContact SG-CA 3.53Å; C304-C358 WeakPolarHBondContact SG-CB 3.23Å; C304-C358 CovalentContact SG-SG 2.04Å; C304-C358 PolarHBondContact SG-SG 2.85Å; Q354-C358 PolarHBondContact O-N 3.18Å; Q354-C358 VanDerWaalsContact O-N 3.13Å; P355-C358 WeakPolarHBondContact O-CB 3.12Å; P355-C358 PolarHBondContact O-N 3.18Å; C358-N360 VanDerWaalsContact C-N 3.26Å; C358-N360 PolarHBondContact O-N 2.92Å; C358-Y361 WeakPolarHBondContact O-CB 3.44Å; C358-Y361 PolarHBondContact O-N 2.73Å; C358-Y361 VanDerWaalsContact O-N 3.1Å; C358-I362 WeakPolarHBondContact O-CG1 3.31Å; C358-I362 PolarHBondContact O-N 2.97Å; C358-L450 HydrophobicContact CB-CD1 3.76Å
359	V	98.6	Very high	97.2	Very high	35 Å²	35	52.6 Å²	52.6	21%	0.212	27%	0.268	C	S	.	.	H	α-helix	trans	-58.5	-39.8	175.5	170.3	0	0	0	0	111	P355 N356 E357 Y361 I362 L363 L450	P355-V359 WeakPolarHBondContact O-CG2 3.12Å; P355-V359 PolarHBondContact O-N 3.46Å; N356-V359 PolarHBondContact O-N 3.43Å; E357-V359 VanDerWaalsContact C-N 3.35Å; E357-V359 PolarHBondContact O-N 2.98Å; V359-Y361 PolarHBondContact O-N 3.32Å; V359-I362 PolarHBondContact O-N 3.14Å; V359-L363 HydrophobicContact CG1-CD1 3.74Å; V359-L363 HydrophobicContact CG1-CG 4.15Å; V359-L363 WeakPolarHBondContact O-CB 3.24Å; V359-L363 VanDerWaalsContact O-CG 3.31Å; V359-L363 WeakPolarHBondContact O-CG 3.32Å; V359-L363 PolarHBondContact O-N 3.03Å; V359-L450 HydrophobicContact CG2-CB 4.31Å; V359-L450 HydrophobicContact CG2-CD1 4.29Å; V359-L450 HydrophobicContact CG2-CD2 3.81Å; V359-L450 HydrophobicContact CG2-CG 4.36Å
360	N	98.1	Very high	97	Very high	97 Å²	97	55.1 Å²	55.1	52%	0.519	29%	0.285	S	S	.	.	H	α-helix	trans	-63	-40.8	175.4	-67	-22.3	0	0	0	112.2	N356 E357 C358 K364	N356-N360 PolarHBondContact O-N 2.94Å; N356-N360 VanDerWaalsContact O-N 3.16Å; E357-N360 WeakPolarHBondContact O-CB 3.42Å; E357-N360 PolarHBondContact O-N 3.07Å; E357-N360 VanDerWaalsContact O-N 3.16Å; C358-N360 VanDerWaalsContact C-N 3.26Å; C358-N360 PolarHBondContact O-N 2.92Å; N360-K364 WeakPolarHBondContact O-CG 3.33Å; N360-K364 PolarHBondContact O-N 2.77Å
361	Y	97.7	Very high	96.7	Very high	38 Å²	38	57 Å²	57	15%	0.149	30%	0.295	C	S	.	.	H	α-helix	trans	-62.7	-44.4	173	-83	-74.6	0	0	0	112	I290 P303 E357 C358 V359 K364 H365	I290-Y361 HydrophobicContact CB-CE1 4.37Å; I290-Y361 HydrophobicContact CD1-CD1 4.35Å; I290-Y361 HydrophobicContact CD1-CD2 4.29Å; I290-Y361 HydrophobicContact CD1-CG 4.15Å; I290-Y361 HydrophobicContact CG1-CD1 3.52Å; I290-Y361 HydrophobicContact CG1-CD2 4.12Å; I290-Y361 HydrophobicContact CG1-CE1 3.56Å; I290-Y361 HydrophobicContact CG1-CE2 4.16Å; I290-Y361 HydrophobicContact CG1-CG 3.81Å; P303-Y361 HydrophobicContact CG-CD2 3.7Å; P303-Y361 HydrophobicContact CG-CE2 3.79Å; E357-Y361 HydrophobicContact CG-CD2 4.34Å; E357-Y361 HydrophobicContact CG-CE2 4.11Å; E357-Y361 WeakPolarHBondContact O-CD2 3.29Å; E357-Y361 PolarHBondContact O-N 2.79Å; E357-Y361 VanDerWaalsContact O-N 3.07Å; C358-Y361 WeakPolarHBondContact O-CB 3.44Å; C358-Y361 PolarHBondContact O-N 2.73Å; C358-Y361 VanDerWaalsContact O-N 3.1Å; V359-Y361 PolarHBondContact O-N 3.32Å; Y361-K364 PolarHBondContact O-N 3.32Å; Y361-H365 PolarHBondContact O-CD2 2.99Å
362	I	98.5	Very high	96.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.4	-49	177.2	-70.8	167.7	0	0	0	110.8	F282 C358 V359 K364 H365 F366 F447 L450 Y451 T454	F282-I362 HydrophobicContact CE1-CG1 4.46Å; F282-I362 HydrophobicContact CE1-CG2 3.96Å; F282-I362 HydrophobicContact CZ-CG2 4.18Å; C358-I362 WeakPolarHBondContact O-CG1 3.31Å; C358-I362 PolarHBondContact O-N 2.97Å; V359-I362 PolarHBondContact O-N 3.14Å; I362-K364 VanDerWaalsContact C-N 3.28Å; I362-K364 PolarHBondContact O-N 2.91Å; I362-H365 PolarHBondContact O-N 3.22Å; I362-H365 VanDerWaalsContact O-N 3.14Å; I362-F366 HydrophobicContact CG2-CE2 3.94Å; I362-F366 WeakPolarHBondContact O-CD2 3.36Å; I362-F447 HydrophobicContact CD1-CD2 4.31Å; I362-F447 HydrophobicContact CD1-CE2 4.2Å; I362-F447 HydrophobicContact CG1-CD2 4.5Å; I362-F447 HydrophobicContact CG1-CE2 3.99Å; I362-L450 HydrophobicContact CD1-CB 3.79Å; I362-Y451 HydrophobicContact CG2-CD2 4.22Å; I362-T454 HydrophobicContact CG2-CG2 3.83Å
363	L	98	Very high	95.8	Very high	71 Å²	71	63.2 Å²	63.2	37%	0.372	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-30.7	-175.6	-75.3	171.5	0	0	0	113.4	V359 H365 F366 T454 M458	V359-L363 HydrophobicContact CG1-CD1 3.74Å; V359-L363 HydrophobicContact CG1-CG 4.15Å; V359-L363 WeakPolarHBondContact O-CB 3.24Å; V359-L363 VanDerWaalsContact O-CG 3.31Å; V359-L363 WeakPolarHBondContact O-CG 3.32Å; V359-L363 PolarHBondContact O-N 3.03Å; L363-H365 PolarHBondContact O-N 3.46Å; L363-H365 VanDerWaalsContact O-N 3.08Å; L363-F366 PolarHBondContact O-N 3.36Å; L363-T454 HydrophobicContact CD2-CG2 3.68Å; L363-T454 HydrophobicContact CG-CG2 4.44Å; L363-M458 HydrophobicContact CD2-CE 3.46Å; L363-M458 VanDerWaalsContact CD2-CE 3.46Å
364	K	96.7	Very high	95.4	Very high	136 Å²	136	65 Å²	65	59%	0.591	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.4	176	-75	174.4	-178.8	-177.1	0	113.6	N360 Y361 I362	N360-K364 WeakPolarHBondContact O-CG 3.33Å; N360-K364 PolarHBondContact O-N 2.77Å; Y361-K364 PolarHBondContact O-N 3.32Å; I362-K364 VanDerWaalsContact C-N 3.28Å; I362-K364 PolarHBondContact O-N 2.91Å
365	H	97.2	Very high	95.2	Very high	11 Å²	11	61.9 Å²	61.9	5%	0.051	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	7.5	-178.9	-59.8	-76	0	0	0	113.4	Y277 F282 R285 F334 Y361 I362 L363	Y277-H365 PolarHBondContact OH-O 3.44Å; F282-H365 HydrophobicContact CE2-CB 3.68Å; F282-H365 HydrophobicContact CZ-CB 3.8Å; R285-H365 PolarHBondContact NE-ND1 3.11Å; F334-H365 HydrophobicContact CD1-CB 4.34Å; F334-H365 WeakPolarHBondContact CD1-O 3.36Å; F334-H365 HydrophobicContact CE1-CB 4.32Å; Y361-H365 PolarHBondContact O-CD2 2.99Å; I362-H365 PolarHBondContact O-N 3.22Å; I362-H365 VanDerWaalsContact O-N 3.14Å; L363-H365 PolarHBondContact O-N 3.46Å; L363-H365 VanDerWaalsContact O-N 3.08Å
366	F	97.3	Very high	95.1	Very high	14 Å²	14	62.4 Å²	62.4	6%	0.061	33%	0.333	C	S	.	.			trans	-111.9	135.6	173	-72	-94.6	0	0	0	110.3	Y277 F282 I362 L363 F377 Y451 T454 L455 M458	Y277-F366 HydrophobicContact CD1-CD1 4.46Å; Y277-F366 AromaticContact CD1-CE1 3.82Å; Y277-F366 HydrophobicContact CD1-CE1 3.82Å; Y277-F366 AromaticContact CD1-CZ 3.96Å; Y277-F366 HydrophobicContact CD1-CZ 3.96Å; Y277-F366 AromaticContact CE1-CD1 3.77Å; Y277-F366 HydrophobicContact CE1-CD1 3.77Å; Y277-F366 HydrophobicContact CE1-CD2 4.48Å; Y277-F366 AromaticContact CE1-CE1 3.58Å; Y277-F366 HydrophobicContact CE1-CE1 3.58Å; Y277-F366 HydrophobicContact CE1-CE2 4.33Å; Y277-F366 HydrophobicContact CE1-CG 4.24Å; Y277-F366 AromaticContact CE1-CZ 3.9Å; Y277-F366 HydrophobicContact CE1-CZ 3.9Å; F282-F366 HydrophobicContact CE1-CE2 4.29Å; F282-F366 AromaticContact CE2-CE2 3.98Å; F282-F366 HydrophobicContact CE2-CE2 3.98Å; F282-F366 HydrophobicContact CE2-CZ 4.35Å; F282-F366 HydrophobicContact CZ-CD2 4.14Å; F282-F366 AromaticContact CZ-CE2 3.48Å; F282-F366 HydrophobicContact CZ-CE2 3.48Å; F282-F366 VanDerWaalsContact CZ-CE2 3.48Å; F282-F366 HydrophobicContact CZ-CZ 4.16Å; I362-F366 HydrophobicContact CG2-CE2 3.94Å; I362-F366 WeakPolarHBondContact O-CD2 3.36Å; L363-F366 PolarHBondContact O-N 3.36Å; F366-F377 HydrophobicContact CD1-CB 4.07Å; F366-F377 HydrophobicContact CD1-CD1 4.05Å; F366-F377 AromaticContact CD1-CD2 3.61Å; F366-F377 HydrophobicContact CD1-CD2 3.61Å; F366-F377 HydrophobicContact CD1-CE1 4.33Å; F366-F377 AromaticContact CD1-CE2 3.97Å; F366-F377 HydrophobicContact CD1-CE2 3.97Å; F366-F377 AromaticContact CD1-CG 3.65Å; F366-F377 HydrophobicContact CD1-CG 3.65Å; F366-F377 HydrophobicContact CD1-CZ 4.3Å; F366-F377 HydrophobicContact CE1-CD1 4.1Å; F366-F377 HydrophobicContact CE1-CD2 4.02Å; F366-F377 AromaticContact CE1-CE1 3.95Å; F366-F377 HydrophobicContact CE1-CE1 3.95Å; F366-F377 AromaticContact CE1-CE2 3.91Å; F366-F377 HydrophobicContact CE1-CE2 3.91Å; F366-F377 HydrophobicContact CE1-CG 4.11Å; F366-F377 AromaticContact CE1-CZ 3.85Å; F366-F377 HydrophobicContact CE1-CZ 3.85Å; F366-Y451 HydrophobicContact CE2-CE2 4.19Å; F366-Y451 HydrophobicContact CZ-CD2 4.5Å; F366-Y451 AromaticContact CZ-CE2 3.81Å; F366-Y451 HydrophobicContact CZ-CE2 3.81Å; F366-T454 HydrophobicContact CD2-CG2 4.3Å; F366-T454 HydrophobicContact CE2-CG2 3.9Å; F366-T454 HydrophobicContact CZ-CG2 4.33Å; F366-L455 HydrophobicContact CE1-CD1 4.17Å; F366-L455 HydrophobicContact CZ-CD1 4.32Å; F366-M458 HydrophobicContact CB-CE 3.69Å; F366-M458 HydrophobicContact CB-SD 4.28Å; F366-M458 HydrophobicContact CD1-CB 4.2Å; F366-M458 HydrophobicContact CD1-CE 4.23Å; F366-M458 HydrophobicContact CD1-CG 3.63Å; F366-M458 HydrophobicContact CD1-SD 4.12Å; F366-M458 HydrophobicContact CD2-CE 4.32Å; F366-M458 HydrophobicContact CE1-CB 4.08Å; F366-M458 HydrophobicContact CE1-CG 3.75Å; F366-M458 HydrophobicContact CG-CE 3.85Å; F366-M458 HydrophobicContact CG-CG 4.17Å; F366-M458 HydrophobicContact CG-SD 4.32Å; F366-M458 HydrophobicContact CZ-CG 4.36Å
367	Q	94.6	Very high	95	Very high	62 Å²	62	57.1 Å²	57.1	29%	0.29	31%	0.305	S	S	.	.			trans	-101.7	124.7	169.8	-55.3	-173	45.7	0	0	110	T333 F334 F377 N378	T333-Q367 PolarHBondContact O-NE2 2.89Å; F334-Q367 VanDerWaalsContact CA-NE2 3.3Å; Q367-F377 CarbonylContact O-C 3.49Å; Q367-F377 WeakPolarHBondContact O-CA 3Å; Q367-F377 WeakPolarHBondContact O-CB 3.44Å; Q367-N378 WeakPolarHBondContact CB-OD1 3.47Å; Q367-N378 PolarHBondContact N-OD1 3.38Å; Q367-N378 VanDerWaalsContact N-OD1 3.1Å; Q367-N378 PolarHBondContact O-N 2.81Å
368	T	93	Very high	94.8	Very high	108 Å²	108	54.8 Å²	54.8	66%	0.663	30%	0.295	S	S	*	.			trans	-98.5	-1.7	-177.6	54.4	0	0	0	0	113.7	C370 M458	T368-C370 PolarHBondContact O-N 2.96Å; T368-M458 HydrophobicContact CG2-CE 4.36Å; T368-M458 HydrophobicContact CG2-SD 4.3Å
369	K	92.9	Very high	94.5	Very high	132 Å²	132	57.3 Å²	57.3	57%	0.574	31%	0.308	S	S	*	.			trans	-58.6	132.9	173.5	-172	-171.4	-178.8	-123	0	109.6	D371 N379	K369-D371 WeakPolarHBondContact CE-OD1 3.5Å; K369-D371 VanDerWaalsContact NZ-CG 3.27Å; K369-D371 IonicContact NZ-OD1 2.92Å; K369-D371 PolarHBondContact NZ-OD1 3.08Å; K369-D371 IonicContact NZ-OD2 2.8Å; K369-D371 PolarHBondContact NZ-OD2 3.36Å; K369-N379 WeakPolarHBondContact O-CA 3.38Å; K369-N379 PolarHBondContact O-N 2.85Å
370	C	92	Very high	94.3	Very high	52 Å²	52	56.7 Å²	56.7	35%	0.351	31%	0.305	S	S	.	.			trans	-133.3	120.5	178.6	-175.8	0	0	0	0	110.4	T368 H372 C375	T368-C370 PolarHBondContact O-N 2.96Å; C370-H372 PolarHBondContact SG-O 3.11Å; C370-C375 WeakPolarHBondContact CA-SG 3.39Å; C370-C375 HydrophobicContact CB-CB 3.62Å; C370-C375 WeakPolarHBondContact CB-SG 3.41Å; C370-C375 WeakPolarHBondContact SG-CB 3.02Å; C370-C375 PolarHBondContact SG-N 2.68Å; C370-C375 VanDerWaalsContact SG-N 3.39Å; C370-C375 CovalentContact SG-SG 2.03Å; C370-C375 PolarHBondContact SG-SG 2.67Å
371	D	90.7	Very high	94	Very high	99 Å²	99	52.7 Å²	52.7	53%	0.529	28%	0.283	S	S	.	.			trans	-99.2	5.2	176.1	-59.1	-36.8	0	0	0	111.5	K369 N379	K369-D371 WeakPolarHBondContact CE-OD1 3.5Å; K369-D371 VanDerWaalsContact NZ-CG 3.27Å; K369-D371 IonicContact NZ-OD1 2.92Å; K369-D371 PolarHBondContact NZ-OD1 3.08Å; K369-D371 IonicContact NZ-OD2 2.8Å; K369-D371 PolarHBondContact NZ-OD2 3.36Å; D371-N379 WeakPolarHBondContact CB-OD1 3.24Å; D371-N379 PolarHBondContact N-OD1 2.83Å; D371-N379 PolarHBondContact OD2-ND2 3.45Å
372	H	87.4	Confident	93.9	Very high	79 Å²	79	51.1 Å²	51.1	37%	0.366	28%	0.277	S	S	.	.	S	Bend	trans	-112.6	175	178.2	-58.8	-77.2	0	0	0	112	C370 S374 N379 F381	C370-H372 PolarHBondContact SG-O 3.11Å; H372-S374 PolarHBondContact O-N 3.29Å; H372-N379 PolarHBondContact CD2-O 3.18Å; H372-N379 PolarHBondContact NE2-O 3.29Å; H372-F381 HydrophobicContact CB-CB 4.21Å; H372-F381 HydrophobicContact CB-CD2 3.99Å
373	S	88.3	Confident	93.7	Very high	101 Å²	101	51.5 Å²	51.5	71%	0.706	28%	0.279	S	S	*	.	S	Bend	trans	-64.9	-26.3	176.7	61.3	0	0	0	0	113.6
374	S	91.1	Very high	93.5	Very high	48 Å²	48	51.6 Å²	51.6	34%	0.336	29%	0.29	S	S	.	.	S	Bend	trans	-157.9	139.1	174.4	-170.1	0	0	0	0	108.6	H372 F381 Q382	H372-S374 PolarHBondContact O-N 3.29Å; S374-F381 WeakPolarHBondContact O-CA 3.45Å; S374-F381 WeakPolarHBondContact O-CD2 3.42Å; S374-Q382 WeakPolarHBondContact CB-O 3.35Å; S374-Q382 PolarHBondContact O-N 3.25Å; S374-Q382 PolarHBondContact OG-O 3.03Å; S374-Q382 VanDerWaalsContact OG-O 3.14Å
375	C	93.8	Very high	93.4	Very high	27 Å²	27	46.7 Å²	46.7	18%	0.182	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-134	159.1	175.8	-57.6	0	0	0	0	109.9	C370 V380	C370-C375 WeakPolarHBondContact CA-SG 3.39Å; C370-C375 HydrophobicContact CB-CB 3.62Å; C370-C375 WeakPolarHBondContact CB-SG 3.41Å; C370-C375 WeakPolarHBondContact SG-CB 3.02Å; C370-C375 PolarHBondContact SG-N 2.68Å; C370-C375 VanDerWaalsContact SG-N 3.39Å; C370-C375 CovalentContact SG-SG 2.03Å; C370-C375 PolarHBondContact SG-SG 2.67Å; C375-V380 WeakPolarHBondContact CA-O 3.37Å; C375-V380 WeakPolarHBondContact CB-O 3.48Å
376	S	95.4	Very high	93.2	Very high	14 Å²	14	50.1 Å²	50.1	10%	0.098	29%	0.287	C	S	.	.	S	Bend	trans	-82.2	-86.4	158.5	48.2	0	0	0	0	109.6	F274 V380 Q382 M458	F274-S376 WeakPolarHBondContact CZ-OG 3.43Å; S376-V380 PolarHBondContact N-O 2.84Å; S376-V380 VanDerWaalsContact N-O 3.12Å; S376-Q382 VanDerWaalsContact CB-OE1 3.31Å; S376-M458 CarbonylContact C-O 3.6Å; S376-M458 WeakPolarHBondContact CA-O 3.47Å; S376-M458 VanDerWaalsContact CB-O 3.24Å; S376-M458 WeakPolarHBondContact CB-O 3.38Å
377	F	96.6	Very high	93.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-146.8	170.3	176.4	59.1	-85.5	0	0	0	110.6	F274 Y277 F366 Q367 N379 V380 L455 M458 Y459	F274-F377 HydrophobicContact CB-CE2 4.29Å; F274-F377 HydrophobicContact CB-CZ 4.01Å; F274-F377 HydrophobicContact CD1-CD2 4.07Å; F274-F377 AromaticContact CD1-CE1 3.99Å; F274-F377 HydrophobicContact CD1-CE1 3.99Å; F274-F377 AromaticContact CD1-CE2 3.27Å; F274-F377 HydrophobicContact CD1-CE2 3.27Å; F274-F377 AromaticContact CD1-CZ 3.24Å; F274-F377 HydrophobicContact CD1-CZ 3.24Å; F274-F377 HydrophobicContact CD2-CE1 4.4Å; F274-F377 AromaticContact CD2-CZ 3.98Å; F274-F377 HydrophobicContact CD2-CZ 3.98Å; F274-F377 HydrophobicContact CE1-CD1 4.19Å; F274-F377 HydrophobicContact CE1-CD2 4.12Å; F274-F377 AromaticContact CE1-CE1 3.84Å; F274-F377 HydrophobicContact CE1-CE1 3.84Å; F274-F377 AromaticContact CE1-CE2 3.71Å; F274-F377 HydrophobicContact CE1-CE2 3.71Å; F274-F377 HydrophobicContact CE1-CG 4.35Å; F274-F377 AromaticContact CE1-CZ 3.58Å; F274-F377 HydrophobicContact CE1-CZ 3.58Å; F274-F377 HydrophobicContact CE2-CE1 4.29Å; F274-F377 HydrophobicContact CE2-CZ 4.28Å; F274-F377 HydrophobicContact CG-CE1 4.26Å; F274-F377 AromaticContact CG-CE2 3.88Å; F274-F377 HydrophobicContact CG-CE2 3.88Å; F274-F377 AromaticContact CG-CZ 3.46Å; F274-F377 HydrophobicContact CG-CZ 3.46Å; F274-F377 VanDerWaalsContact CG-CZ 3.46Å; F274-F377 HydrophobicContact CZ-CD1 4.47Å; F274-F377 HydrophobicContact CZ-CE1 4.01Å; F274-F377 HydrophobicContact CZ-CZ 4.09Å; Y277-F377 AromaticContact CD1-CE2 3.68Å; Y277-F377 HydrophobicContact CD1-CE2 3.68Å; Y277-F377 AromaticContact CD1-CZ 3.97Å; Y277-F377 HydrophobicContact CD1-CZ 3.97Å; Y277-F377 AromaticContact CD2-CE2 3.94Å; Y277-F377 HydrophobicContact CD2-CE2 3.94Å; Y277-F377 HydrophobicContact CE1-CD2 4.07Å; Y277-F377 AromaticContact CE1-CE2 3.47Å; Y277-F377 HydrophobicContact CE1-CE2 3.47Å; Y277-F377 VanDerWaalsContact CE1-CE2 3.47Å; Y277-F377 HydrophobicContact CE1-CZ 4.19Å; Y277-F377 HydrophobicContact CE2-CD2 4.47Å; Y277-F377 AromaticContact CE2-CE2 3.75Å; Y277-F377 HydrophobicContact CE2-CE2 3.75Å; Y277-F377 AromaticContact CG-CE2 3.92Å; Y277-F377 HydrophobicContact CG-CE2 3.92Å; Y277-F377 HydrophobicContact CG-CZ 4.17Å; Y277-F377 AromaticContact CZ-CD2 3.97Å; Y277-F377 AromaticContact CZ-CE2 3.51Å; F366-F377 HydrophobicContact CD1-CB 4.07Å; F366-F377 HydrophobicContact CD1-CD1 4.05Å; F366-F377 AromaticContact CD1-CD2 3.61Å; F366-F377 HydrophobicContact CD1-CD2 3.61Å; F366-F377 HydrophobicContact CD1-CE1 4.33Å; F366-F377 AromaticContact CD1-CE2 3.97Å; F366-F377 HydrophobicContact CD1-CE2 3.97Å; F366-F377 AromaticContact CD1-CG 3.65Å; F366-F377 HydrophobicContact CD1-CG 3.65Å; F366-F377 HydrophobicContact CD1-CZ 4.3Å; F366-F377 HydrophobicContact CE1-CD1 4.1Å; F366-F377 HydrophobicContact CE1-CD2 4.02Å; F366-F377 AromaticContact CE1-CE1 3.95Å; F366-F377 HydrophobicContact CE1-CE1 3.95Å; F366-F377 AromaticContact CE1-CE2 3.91Å; F366-F377 HydrophobicContact CE1-CE2 3.91Å; F366-F377 HydrophobicContact CE1-CG 4.11Å; F366-F377 AromaticContact CE1-CZ 3.85Å; F366-F377 HydrophobicContact CE1-CZ 3.85Å; Q367-F377 CarbonylContact O-C 3.49Å; Q367-F377 WeakPolarHBondContact O-CA 3Å; Q367-F377 WeakPolarHBondContact O-CB 3.44Å; F377-N379 PolarHBondContact O-N 3.36Å; F377-V380 WeakPolarHBondContact O-CB 3.45Å; F377-V380 WeakPolarHBondContact O-CG2 3.46Å; F377-V380 PolarHBondContact O-N 2.96Å; F377-L455 HydrophobicContact CE1-CD1 3.89Å; F377-L455 HydrophobicContact CZ-CD1 3.99Å; F377-M458 HydrophobicContact CD1-CB 3.61Å; F377-M458 HydrophobicContact CE1-CB 4.11Å; F377-M458 HydrophobicContact CG-CB 4.38Å; F377-Y459 AromaticContact CE1-CD1 3.96Å; F377-Y459 HydrophobicContact CE1-CD1 3.96Å; F377-Y459 AromaticContact CE1-CE1 3.6Å; F377-Y459 HydrophobicContact CE1-CE1 3.6Å; F377-Y459 HydrophobicContact CZ-CE1 4.27Å
378	N	94	Very high	93.3	Very high	26 Å²	26	54.7 Å²	54.7	14%	0.139	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	38	-176.7	-61.7	-7.1	0	0	0	113.4	Y277 T333 Q367 V380	Y277-N378 VanDerWaalsContact CE2-ND2 3.28Å; Y277-N378 WeakPolarHBondContact CE2-ND2 3.41Å; Y277-N378 VanDerWaalsContact CZ-ND2 3.34Å; Y277-N378 PolarHBondContact OH-ND2 3.45Å; Y277-N378 PolarHBondContact OH-OD1 3.33Å; T333-N378 WeakPolarHBondContact CG2-ND2 3.46Å; T333-N378 VanDerWaalsContact O-CG 3.29Å; T333-N378 PolarHBondContact O-ND2 2.96Å; T333-N378 PolarHBondContact O-OD1 2.86Å; Q367-N378 WeakPolarHBondContact CB-OD1 3.47Å; Q367-N378 PolarHBondContact N-OD1 3.38Å; Q367-N378 VanDerWaalsContact N-OD1 3.1Å; Q367-N378 PolarHBondContact O-N 2.81Å; N378-V380 PolarHBondContact O-N 3.09Å; N378-V380 VanDerWaalsContact O-N 3.12Å
379	N	92.6	Very high	93.5	Very high	54 Å²	54	49.6 Å²	49.6	29%	0.289	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	22.1	-178.1	-158.3	28	0	0	0	114.1	K369 D371 H372 F377	K369-N379 WeakPolarHBondContact O-CA 3.38Å; K369-N379 PolarHBondContact O-N 2.85Å; D371-N379 WeakPolarHBondContact CB-OD1 3.24Å; D371-N379 PolarHBondContact N-OD1 2.83Å; D371-N379 PolarHBondContact OD2-ND2 3.45Å; H372-N379 PolarHBondContact CD2-O 3.18Å; H372-N379 PolarHBondContact NE2-O 3.29Å; F377-N379 PolarHBondContact O-N 3.36Å
380	V	93.3	Very high	93.7	Very high	22 Å²	22	43.7 Å²	43.7	13%	0.133	26%	0.257	C	S	.	.			trans	-84.2	117.4	177.7	175.3	0	0	0	0	108.9	H272 F274 C375 S376 F377 N378 Q382	H272-V380 VanDerWaalsContact CE1-CG1 3.48Å; H272-V380 WeakPolarHBondContact CE1-CG1 3.34Å; F274-V380 HydrophobicContact CE1-CB 3.95Å; F274-V380 HydrophobicContact CE1-CG1 4.15Å; F274-V380 HydrophobicContact CE1-CG2 3.8Å; F274-V380 HydrophobicContact CZ-CB 4.26Å; F274-V380 HydrophobicContact CZ-CG1 4.04Å; C375-V380 WeakPolarHBondContact CA-O 3.37Å; C375-V380 WeakPolarHBondContact CB-O 3.48Å; S376-V380 PolarHBondContact N-O 2.84Å; S376-V380 VanDerWaalsContact N-O 3.12Å; F377-V380 WeakPolarHBondContact O-CB 3.45Å; F377-V380 WeakPolarHBondContact O-CG2 3.46Å; F377-V380 PolarHBondContact O-N 2.96Å; N378-V380 PolarHBondContact O-N 3.09Å; N378-V380 VanDerWaalsContact O-N 3.12Å; V380-Q382 PolarHBondContact O-N 3.1Å
381	F	93.6	Very high	94	Very high	12 Å²	12	41.2 Å²	41.2	5%	0.053	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-56	129.3	170.5	171.4	-93.9	0	0	0	110.2	L255 F257 Y270 H372 S374 P383	L255-F381 HydrophobicContact CB-CD1 4.39Å; L255-F381 HydrophobicContact CD1-CD1 3.82Å; L255-F381 HydrophobicContact CD1-CE1 3.62Å; L255-F381 HydrophobicContact CD1-CG 4.46Å; L255-F381 HydrophobicContact CD1-CZ 4.11Å; L255-F381 HydrophobicContact CD2-CB 3.85Å; L255-F381 HydrophobicContact CD2-CD1 3.52Å; L255-F381 HydrophobicContact CD2-CD2 4.44Å; L255-F381 HydrophobicContact CD2-CE1 4.21Å; L255-F381 HydrophobicContact CD2-CG 3.65Å; L255-F381 HydrophobicContact CG-CD1 4.12Å; L255-F381 HydrophobicContact CG-CE1 4.39Å; F257-F381 HydrophobicContact CE2-CE1 4.05Å; Y270-F381 HydrophobicContact CE2-CD1 4.29Å; Y270-F381 WeakPolarHBondContact CE2-O 3.38Å; Y270-F381 PolarHBondContact OH-O 3.07Å; H372-F381 HydrophobicContact CB-CB 4.21Å; H372-F381 HydrophobicContact CB-CD2 3.99Å; S374-F381 WeakPolarHBondContact O-CA 3.45Å; S374-F381 WeakPolarHBondContact O-CD2 3.42Å; F381-P383 HydrophobicContact CE1-CG 3.75Å; F381-P383 HydrophobicContact CZ-CG 3.99Å
382	Q	94.2	Very high	94.3	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.023	22%	0.215	C	C	.	.			trans	-142.7	128	173.7	-164.7	-166.1	-90.1	0	0	108.9	F242 Y270 S374 S376 V380 Y459	F242-Q382 HydrophobicContact CE1-CG 4.48Å; Y270-Q382 HydrophobicContact CD1-CG 4.49Å; Y270-Q382 HydrophobicContact CE1-CB 4.49Å; Y270-Q382 HydrophobicContact CE1-CG 3.61Å; Y270-Q382 WeakPolarHBondContact OH-CG 3.43Å; S374-Q382 WeakPolarHBondContact CB-O 3.35Å; S374-Q382 PolarHBondContact O-N 3.25Å; S374-Q382 PolarHBondContact OG-O 3.03Å; S374-Q382 VanDerWaalsContact OG-O 3.14Å; S376-Q382 VanDerWaalsContact CB-OE1 3.31Å; V380-Q382 PolarHBondContact O-N 3.1Å; Q382-Y459 PolarHBondContact NE2-O 3.05Å
383	P	94.1	Very high	94.6	Very high	9 Å²	9	34.5 Å²	34.5	6%	0.058	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-60.7	159.1	167.3	-19.8	32.3	0	0	0	111.3	F242 P244 F257 Y270 F381 P385	F242-P383 HydrophobicContact CE2-CB 4.24Å; F242-P383 HydrophobicContact CZ-CB 4.03Å; F242-P383 HydrophobicContact CZ-CG 4.42Å; F242-P383 WeakPolarHBondContact CZ-O 3.42Å; P244-P383 HydrophobicContact CB-CB 3.59Å; P244-P383 HydrophobicContact CB-CG 4.04Å; P244-P383 HydrophobicContact CG-CB 4.23Å; P244-P383 HydrophobicContact CG-CG 4.13Å; F257-P383 HydrophobicContact CZ-CG 3.83Å; Y270-P383 HydrophobicContact CD2-CG 4.13Å; Y270-P383 HydrophobicContact CG-CG 4.24Å; F381-P383 HydrophobicContact CE1-CG 3.75Å; F381-P383 HydrophobicContact CZ-CG 3.99Å; P383-P385 WeakPolarHBondContact O-CD 3.27Å
384	A	94	Very high	94.9	Very high	72 Å²	72	30 Å²	30	60%	0.595	18%	0.18	S	C	*	.	P	Polyproline II helix	trans	-60.7	128.4	170.4	0	0	0	0	0	109.9	F242 F386	F242-A384 WeakPolarHBondContact CE2-O 3.4Å; A384-F386 PolarHBondContact O-N 2.95Å
385	P	95.4	Very high	95.2	Very high	34 Å²	34	27.8 Å²	27.8	22%	0.221	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-54.4	135.4	174	-25	33.2	0	0	0	111.1	P383 F389 Y459 F461	P383-P385 WeakPolarHBondContact O-CD 3.27Å; P385-F389 HydrophobicContact CB-CE2 3.85Å; P385-F389 HydrophobicContact CB-CZ 3.75Å; P385-Y459 WeakPolarHBondContact CD-O 3.48Å; P385-Y459 WeakPolarHBondContact CG-O 3Å; P385-F461 HydrophobicContact CB-CE1 3.86Å; P385-F461 HydrophobicContact CB-CE2 4.24Å; P385-F461 HydrophobicContact CB-CZ 3.66Å; P385-F461 HydrophobicContact CG-CE1 4.49Å; P385-F461 HydrophobicContact CG-CE2 4.15Å; P385-F461 HydrophobicContact CG-CZ 4.09Å
386	F	92.9	Very high	95.3	Very high	83 Å²	83	26.6 Å²	26.6	36%	0.364	16%	0.156	S	C	.	.			trans	-138	142.1	-178.5	175.9	-102.8	0	0	0	110.9	K245 A384 F389	K245-F386 HydrophobicContact CB-CB 4.24Å; K245-F386 HydrophobicContact CB-CD1 3.87Å; K245-F386 HydrophobicContact CB-CD2 3.95Å; K245-F386 HydrophobicContact CB-CE1 4.21Å; K245-F386 HydrophobicContact CB-CE2 4.3Å; K245-F386 HydrophobicContact CB-CG 3.73Å; K245-F386 HydrophobicContact CB-CZ 4.42Å; K245-F386 HydrophobicContact CD-CD2 4.05Å; K245-F386 HydrophobicContact CD-CE2 3.77Å; K245-F386 HydrophobicContact CD-CZ 4.12Å; K245-F386 HydrophobicContact CG-CD2 4.5Å; K245-F386 HydrophobicContact CG-CE2 4.39Å; K245-F386 HydrophobicContact CG-CZ 4.4Å; A384-F386 PolarHBondContact O-N 2.95Å; F386-F389 WeakPolarHBondContact O-CE2 3.31Å
387	G	95.5	Very high	95.3	Very high	28 Å²	28	30.8 Å²	30.8	29%	0.289	17%	0.171	S	C	.	.	S	Bend	trans	83.3	-159.9	179	0	0	0	0	0	113.2	T469	G387-T469 WeakPolarHBondContact O-CB 2.98Å; G387-T469 PolarHBondContact O-OG1 2.9Å
388	K	97.7	Very high	95.2	Very high	144 Å²	144	30.8 Å²	30.8	63%	0.626	17%	0.171	S	C	*	.			trans	-86.9	151.8	178.4	-66	178.1	-177.8	178.1	0	110.5	V228 G229 T469	V228-K388 CarbonylContact C-O 3.04Å; V228-K388 WeakPolarHBondContact CA-O 3.4Å; V228-K388 HydrophobicContact CG1-CB 4.37Å; V228-K388 HydrophobicContact CG2-CB 4.14Å; G229-K388 PolarHBondContact N-O 3.28Å; K388-T469 WeakPolarHBondContact CA-O 3.41Å
389	F	98.1	Very high	95.4	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.6	176.2	-75.6	-101.1	0	0	0	111.5	G229 L231 I240 F242 P385 F386 F461 T469 I470 T471	G229-F389 CarbonylContact O-C 3.59Å; G229-F389 WeakPolarHBondContact O-CA 3.5Å; L231-F389 HydrophobicContact CD1-CB 3.92Å; L231-F389 HydrophobicContact CD1-CD1 4.09Å; L231-F389 HydrophobicContact CD1-CG 4.29Å; L231-F389 HydrophobicContact CD2-CD1 4.15Å; L231-F389 HydrophobicContact CG-CB 4.38Å; L231-F389 HydrophobicContact CG-CD1 3.87Å; I240-F389 HydrophobicContact CD1-CE1 4.41Å; I240-F389 HydrophobicContact CG1-CE1 4.36Å; F242-F389 HydrophobicContact CB-CE1 3.7Å; F242-F389 HydrophobicContact CB-CZ 3.71Å; F242-F389 AromaticContact CD1-CE1 3.94Å; F242-F389 HydrophobicContact CD1-CE1 3.94Å; F242-F389 AromaticContact CD1-CZ 3.99Å; F242-F389 HydrophobicContact CD1-CZ 3.99Å; F242-F389 HydrophobicContact CD2-CZ 4.04Å; F242-F389 AromaticContact CG-CE1 3.89Å; F242-F389 HydrophobicContact CG-CE1 3.89Å; F242-F389 AromaticContact CG-CZ 3.65Å; F242-F389 HydrophobicContact CG-CZ 3.65Å; P385-F389 HydrophobicContact CB-CE2 3.85Å; P385-F389 HydrophobicContact CB-CZ 3.75Å; F386-F389 WeakPolarHBondContact O-CE2 3.31Å; F389-F461 HydrophobicContact CB-CZ 4.44Å; F389-F461 AromaticContact CD1-CZ 3.94Å; F389-F461 HydrophobicContact CD1-CZ 3.94Å; F389-F461 AromaticContact CD2-CE1 3.71Å; F389-F461 HydrophobicContact CD2-CE1 3.71Å; F389-F461 AromaticContact CD2-CZ 3.62Å; F389-F461 HydrophobicContact CD2-CZ 3.62Å; F389-F461 HydrophobicContact CE1-CZ 4.04Å; F389-F461 AromaticContact CE2-CE1 3.95Å; F389-F461 HydrophobicContact CE2-CE1 3.95Å; F389-F461 AromaticContact CE2-CZ 3.75Å; F389-F461 HydrophobicContact CE2-CZ 3.75Å; F389-F461 HydrophobicContact CG-CE1 4.17Å; F389-F461 AromaticContact CG-CZ 3.73Å; F389-F461 HydrophobicContact CG-CZ 3.73Å; F389-F461 AromaticContact CZ-CZ 3.96Å; F389-F461 HydrophobicContact CZ-CZ 3.96Å; F389-T469 PolarHBondContact N-O 3.26Å; F389-I470 HydrophobicContact CB-CG1 4.42Å; F389-I470 CarbonylContact O-C 3.5Å; F389-I470 WeakPolarHBondContact O-CA 3.3Å; F389-T471 PolarHBondContact O-N 3Å
390	M	97.7	Very high	95.6	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.034	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.8	171	-174.3	72.5	-177.5	0	0	109	V209 V228 G229 L231 Y392 T471 D473 V476 V481	V209-M390 HydrophobicContact CG1-CB 3.71Å; V209-M390 HydrophobicContact CG1-CG 4.3Å; V209-M390 HydrophobicContact CG2-CB 3.96Å; V209-M390 HydrophobicContact CG2-CG 4.09Å; V228-M390 HydrophobicContact CG1-CB 4.07Å; G229-M390 PolarHBondContact O-N 3.06Å; L231-M390 PolarHBondContact N-O 3.17Å; M390-Y392 HydrophobicContact CG-CD1 4.36Å; M390-T471 CarbonylContact C-O 3.6Å; M390-T471 HydrophobicContact SD-CG2 3.93Å; M390-D473 HydrophobicContact CE-CB 3.48Å; M390-D473 VanDerWaalsContact CE-CB 3.48Å; M390-D473 WeakPolarHBondContact CE-O 3.37Å; M390-V476 HydrophobicContact CE-CG2 3.33Å; M390-V476 HydrophobicContact SD-CG2 4.07Å; M390-V481 HydrophobicContact CE-CG2 4.48Å
391	A	98.1	Very high	95.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.8	177.8	0	0	0	0	0	110.9	L231 F395 I470 T471 F472 D473	L231-A391 HydrophobicContact CB-CB 3.99Å; L231-A391 HydrophobicContact CD1-CB 4.15Å; L231-A391 WeakPolarHBondContact O-CA 3.32Å; A391-F395 HydrophobicContact CB-CB 3.77Å; A391-F395 HydrophobicContact CB-CD2 4.19Å; A391-F395 HydrophobicContact CB-CG 4.01Å; A391-I470 HydrophobicContact CB-CG2 3.78Å; A391-T471 PolarHBondContact N-O 3.21Å; A391-F472 HydrophobicContact CB-CD1 3.68Å; A391-F472 HydrophobicContact CB-CE1 3.86Å; A391-F472 HydrophobicContact CB-CG 4.27Å; A391-F472 CarbonylContact O-C 3.56Å; A391-F472 VanDerWaalsContact O-CA 3.31Å; A391-F472 WeakPolarHBondContact O-CA 3.28Å; A391-D473 PolarHBondContact O-N 3.46Å
392	Y	96.3	Very high	95.9	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	-172.6	-173	57.2	-84.8	0	0	0	111.9	G205 V209 S230 L231 D232 M390 G394 F395 D473 V481	G205-Y392 VanDerWaalsContact CA-OH 3.31Å; G205-Y392 WeakPolarHBondContact CA-OH 3.44Å; V209-Y392 HydrophobicContact CG2-CE1 4.06Å; S230-Y392 VanDerWaalsContact OG-CE1 3.28Å; S230-Y392 WeakPolarHBondContact OG-CE1 3.38Å; S230-Y392 PolarHBondContact OG-OH 2.71Å; L231-Y392 WeakPolarHBondContact O-CD1 3.27Å; L231-Y392 WeakPolarHBondContact O-CE1 3Å; L231-Y392 PolarHBondContact O-N 3.12Å; D232-Y392 HydrophobicContact CB-CD2 4.43Å; D232-Y392 HydrophobicContact CB-CE1 4.34Å; D232-Y392 HydrophobicContact CB-CE2 3.64Å; D232-Y392 WeakPolarHBondContact OD1-CE2 3.16Å; M390-Y392 HydrophobicContact CG-CD1 4.36Å; Y392-G394 PolarHBondContact O-N 2.82Å; Y392-F395 WeakPolarHBondContact O-CB 3.48Å; Y392-F395 PolarHBondContact O-N 2.03Å; Y392-F395 VanDerWaalsContact O-N 3.16Å; Y392-D473 VanDerWaalsContact CA-O 3.27Å; Y392-D473 WeakPolarHBondContact CA-O 3.48Å; Y392-D473 WeakPolarHBondContact CB-O 3.34Å; Y392-V481 HydrophobicContact CD1-CB 4.29Å; Y392-V481 HydrophobicContact CD1-CG1 3.78Å; Y392-V481 HydrophobicContact CD2-CB 4.11Å; Y392-V481 HydrophobicContact CD2-CG1 3.99Å; Y392-V481 HydrophobicContact CE1-CG1 3.67Å; Y392-V481 HydrophobicContact CE2-CB 4.45Å; Y392-V481 HydrophobicContact CE2-CG1 3.89Å; Y392-V481 HydrophobicContact CG-CB 4.03Å; Y392-V481 HydrophobicContact CG-CG1 3.94Å
393	S	93.3	Very high	96	Very high	36 Å²	36	39.2 Å²	39.2	25%	0.252	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.9	-127.8	-175.2	-56.1	0	0	0	0	111.1	D232 L233 F395 S396 Y397	D232-S393 WeakPolarHBondContact OD1-CB 3.37Å; D232-S393 PolarHBondContact OD1-OG 2.71Å; L233-S393 VanDerWaalsContact O-CB 3.3Å; L233-S393 WeakPolarHBondContact O-CB 3.43Å; S393-F395 PolarHBondContact O-N 3.21Å; S393-F395 VanDerWaalsContact O-N 3.13Å; S393-S396 PolarHBondContact O-N 3.5Å; S393-S396 VanDerWaalsContact O-N 3.09Å; S393-S396 PolarHBondContact O-OG 2.75Å; S393-Y397 VanDerWaalsContact O-CD2 3.24Å; S393-Y397 WeakPolarHBondContact O-CD2 3.49Å; S393-Y397 VanDerWaalsContact O-CE2 3.29Å; S393-Y397 WeakPolarHBondContact O-CE2 3.12Å
394	G	94.8	Very high	96.1	Very high	8 Å²	8	43.3 Å²	43.3	8%	0.082	23%	0.225	C	C	.	.	H	α-helix	trans	-54.3	-28.6	-179.1	0	0	0	0	0	114.6	L233 Y392 S396	L233-G394 VanDerWaalsContact O-CA 3.31Å; L233-G394 WeakPolarHBondContact O-CA 3.38Å; L233-G394 PolarHBondContact O-N 3.1Å; Y392-G394 PolarHBondContact O-N 2.82Å; G394-S396 VanDerWaalsContact C-N 3.28Å; G394-S396 PolarHBondContact O-N 3.07Å
395	F	97.5	Very high	96.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.9	-29.6	178.8	-75.9	-65.6	0	0	0	113.2	L231 L233 A391 Y392 S393 I452 L455 L456 Y459 F472	L231-F395 HydrophobicContact CB-CD2 4.1Å; L231-F395 HydrophobicContact CB-CE2 3.81Å; L233-F395 HydrophobicContact CB-CD1 4.38Å; L233-F395 HydrophobicContact CB-CD2 3.4Å; L233-F395 VanDerWaalsContact CB-CD2 3.4Å; L233-F395 HydrophobicContact CB-CE1 4.43Å; L233-F395 HydrophobicContact CB-CE2 3.47Å; L233-F395 VanDerWaalsContact CB-CE2 3.47Å; L233-F395 HydrophobicContact CB-CG 3.89Å; L233-F395 HydrophobicContact CB-CZ 3.99Å; L233-F395 HydrophobicContact CD2-CD1 4.18Å; L233-F395 HydrophobicContact CD2-CE1 4.23Å; L233-F395 HydrophobicContact CD2-CG 4.36Å; L233-F395 HydrophobicContact CD2-CZ 4.49Å; A391-F395 HydrophobicContact CB-CB 3.77Å; A391-F395 HydrophobicContact CB-CD2 4.19Å; A391-F395 HydrophobicContact CB-CG 4.01Å; Y392-F395 WeakPolarHBondContact O-CB 3.48Å; Y392-F395 PolarHBondContact O-N 2.03Å; Y392-F395 VanDerWaalsContact O-N 3.16Å; S393-F395 PolarHBondContact O-N 3.21Å; S393-F395 VanDerWaalsContact O-N 3.13Å; F395-I452 HydrophobicContact CD1-CB 4.39Å; F395-I452 HydrophobicContact CD1-CG1 3.93Å; F395-I452 HydrophobicContact CD1-CG2 3.79Å; F395-I452 HydrophobicContact CE1-CG1 4.37Å; F395-I452 HydrophobicContact CE1-CG2 4.2Å; F395-L455 HydrophobicContact CE1-CD2 3.95Å; F395-L455 HydrophobicContact CZ-CD2 3.69Å; F395-L455 HydrophobicContact CZ-CG 4.44Å; F395-L456 HydrophobicContact CE1-CD2 3.98Å; F395-L456 HydrophobicContact CE1-CG 4.09Å; F395-L456 HydrophobicContact CZ-CD2 4.33Å; F395-Y459 HydrophobicContact CZ-CE2 4.38Å; F395-F472 HydrophobicContact CB-CD1 4.03Å; F395-F472 HydrophobicContact CB-CE1 4.21Å; F395-F472 HydrophobicContact CD1-CE1 4.46Å; F395-F472 WeakPolarHBondContact O-CD1 3.39Å
396	S	95.8	Very high	96.2	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.014	24%	0.242	C	C	.	.	H	α-helix	trans	-88.6	-26.1	-166.7	68.1	0	0	0	0	114.8	S393 G394 M399 R400 S474	S393-S396 PolarHBondContact O-N 3.5Å; S393-S396 VanDerWaalsContact O-N 3.09Å; S393-S396 PolarHBondContact O-OG 2.75Å; G394-S396 VanDerWaalsContact C-N 3.28Å; G394-S396 PolarHBondContact O-N 3.07Å; S396-M399 PolarHBondContact O-N 3.23Å; S396-R400 WeakPolarHBondContact O-CB 3.45Å; S396-R400 PolarHBondContact O-N 2.69Å; S396-S474 PolarHBondContact OG-OG 3.41Å
397	Y	95	Very high	96.3	Very high	103 Å²	103	48.6 Å²	48.6	40%	0.404	24%	0.241	S	C	.	.	H	α-helix	trans	-65.9	-46.6	-171.1	-67.7	-79.3	0	0	0	113.2	S393 R400 Y401	S393-Y397 VanDerWaalsContact O-CD2 3.24Å; S393-Y397 WeakPolarHBondContact O-CD2 3.49Å; S393-Y397 VanDerWaalsContact O-CE2 3.29Å; S393-Y397 WeakPolarHBondContact O-CE2 3.12Å; Y397-R400 VanDerWaalsContact CD1-NH2 3.28Å; Y397-R400 PolarHBondContact O-N 3.07Å; Y397-Y401 WeakPolarHBondContact O-CB 3.25Å; Y397-Y401 PolarHBondContact O-N 3.01Å
398	V	96.4	Very high	96.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-41.6	179.4	-178.8	0	0	0	0	110.7	Y401 L402 Y445 D448 I452	V398-Y401 PolarHBondContact O-N 3.4Å; V398-L402 HydrophobicContact CG1-CD1 3.84Å; V398-L402 HydrophobicContact CG1-CG 4.28Å; V398-L402 PolarHBondContact O-N 3.47Å; V398-Y445 HydrophobicContact CG2-CD1 3.84Å; V398-Y445 HydrophobicContact CG2-CE1 4.39Å; V398-Y445 HydrophobicContact CG2-CG 4.24Å; V398-D448 HydrophobicContact CG2-CB 3.44Å; V398-D448 VanDerWaalsContact CG2-CB 3.44Å; V398-I452 HydrophobicContact CB-CD1 4.33Å; V398-I452 HydrophobicContact CG2-CD1 4.18Å
399	M	97.7	Very high	96.3	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-45.8	178.7	-58.5	-51.8	156.9	0	0	111.1	S396 Y401 L402 F403 F410 V415 I452 F472	S396-M399 PolarHBondContact O-N 3.23Å; M399-Y401 VanDerWaalsContact C-N 3.28Å; M399-Y401 PolarHBondContact O-N 3.11Å; M399-L402 PolarHBondContact O-N 3.13Å; M399-F403 WeakPolarHBondContact O-CA 3.27Å; M399-F403 WeakPolarHBondContact O-CB 3.15Å; M399-F403 PolarHBondContact O-N 3.14Å; M399-F403 HydrophobicContact SD-CE2 4.47Å; M399-F410 HydrophobicContact CB-CZ 4.44Å; M399-V415 HydrophobicContact CE-CG1 3.72Å; M399-V415 HydrophobicContact SD-CG1 3.86Å; M399-V415 HydrophobicContact SD-CG2 4.4Å; M399-I452 HydrophobicContact CE-CB 4.45Å; M399-I452 HydrophobicContact CE-CD1 4.5Å; M399-I452 HydrophobicContact CE-CG2 3.66Å; M399-F472 HydrophobicContact CB-CB 3.99Å; M399-F472 HydrophobicContact CB-CD1 4.45Å; M399-F472 HydrophobicContact CB-CG 4.21Å; M399-F472 HydrophobicContact CE-CE1 4.22Å; M399-F472 HydrophobicContact CE-CZ 4.42Å; M399-F472 HydrophobicContact CG-CB 4Å; M399-F472 HydrophobicContact CG-CD1 3.57Å; M399-F472 HydrophobicContact CG-CD2 4.21Å; M399-F472 HydrophobicContact CG-CE1 4Å; M399-F472 HydrophobicContact CG-CG 3.67Å; M399-F472 HydrophobicContact CG-CZ 4.47Å
400	R	95.9	Very high	96.3	Very high	143 Å²	143	44.9 Å²	44.9	54%	0.54	23%	0.232	S	C	.	.	H	α-helix	trans	-64.1	-31.2	176.3	-177.3	162.4	52.6	83.3	0	113.2	S396 Y397 P404	S396-R400 WeakPolarHBondContact O-CB 3.45Å; S396-R400 PolarHBondContact O-N 2.69Å; Y397-R400 VanDerWaalsContact CD1-NH2 3.28Å; Y397-R400 PolarHBondContact O-N 3.07Å; R400-P404 WeakPolarHBondContact O-CA 3.48Å
401	Y	96	Very high	96.4	Very high	75 Å²	75	45.8 Å²	45.8	29%	0.294	24%	0.238	S	C	.	.	H	α-helix	trans	-73.5	-46.5	176.3	177.9	-97.6	0	0	0	112.5	Y397 V398 M399 F422 T442 Y445	Y397-Y401 WeakPolarHBondContact O-CB 3.25Å; Y397-Y401 PolarHBondContact O-N 3.01Å; V398-Y401 PolarHBondContact O-N 3.4Å; M399-Y401 VanDerWaalsContact C-N 3.28Å; M399-Y401 PolarHBondContact O-N 3.11Å; Y401-F422 HydrophobicContact CE1-CD2 4.11Å; Y401-F422 AromaticContact CE1-CE2 3.6Å; Y401-F422 HydrophobicContact CE1-CE2 3.6Å; Y401-F422 HydrophobicContact CE1-CZ 4.1Å; Y401-T442 HydrophobicContact CE1-CG2 4.27Å; Y401-T442 HydrophobicContact CE2-CG2 4.1Å; Y401-T442 WeakPolarHBondContact OH-CG2 3.37Å; Y401-Y445 AromaticContact CD1-CD2 3.49Å; Y401-Y445 HydrophobicContact CD1-CD2 3.49Å; Y401-Y445 VanDerWaalsContact CD1-CD2 3.49Å; Y401-Y445 AromaticContact CD1-CE2 3.86Å; Y401-Y445 HydrophobicContact CD1-CE2 3.86Å; Y401-Y445 HydrophobicContact CD2-CD2 4.07Å; Y401-Y445 AromaticContact CD2-CE2 3.61Å; Y401-Y445 HydrophobicContact CD2-CE2 3.61Å; Y401-Y445 AromaticContact CE1-CD2 3.96Å; Y401-Y445 HydrophobicContact CE1-CD2 3.96Å; Y401-Y445 HydrophobicContact CE1-CE2 4.47Å; Y401-Y445 HydrophobicContact CE2-CD2 4.47Å; Y401-Y445 HydrophobicContact CE2-CE2 4.24Å; Y401-Y445 AromaticContact CG-CD2 3.56Å; Y401-Y445 HydrophobicContact CG-CD2 3.56Å; Y401-Y445 AromaticContact CG-CE2 3.39Å; Y401-Y445 HydrophobicContact CG-CE2 3.39Å
402	L	97.3	Very high	96.4	Very high	41 Å²	41	46.6 Å²	46.6	22%	0.215	24%	0.242	C	C	.	.	H	α-helix	trans	-79.8	-26.4	-178	-64	179.5	0	0	0	113	V398 M399 A418 V419 F422	V398-L402 HydrophobicContact CG1-CD1 3.84Å; V398-L402 HydrophobicContact CG1-CG 4.28Å; V398-L402 PolarHBondContact O-N 3.47Å; M399-L402 PolarHBondContact O-N 3.13Å; L402-A418 HydrophobicContact CD1-CB 4.5Å; L402-V419 HydrophobicContact CD1-CG2 3.66Å; L402-F422 HydrophobicContact CD2-CB 3.93Å; L402-F422 HydrophobicContact CD2-CD2 4Å; L402-F422 HydrophobicContact CD2-CG 3.94Å
403	F	97.5	Very high	96.5	Very high	35 Å²	35	49.9 Å²	49.9	15%	0.154	26%	0.262	C	S	.	.			trans	-134	66.8	-174.7	-53.4	-86.1	0	0	0	111.6	M399 N405 K406 F410 V415 A418	M399-F403 WeakPolarHBondContact O-CA 3.27Å; M399-F403 WeakPolarHBondContact O-CB 3.15Å; M399-F403 PolarHBondContact O-N 3.14Å; M399-F403 HydrophobicContact SD-CE2 4.47Å; F403-N405 PolarHBondContact O-N 3.21Å; F403-K406 HydrophobicContact CB-CB 4.24Å; F403-K406 PolarHBondContact O-N 2.87Å; F403-K406 VanDerWaalsContact O-N 3.12Å; F403-F410 HydrophobicContact CB-CE1 3.86Å; F403-F410 HydrophobicContact CB-CZ 4.05Å; F403-F410 HydrophobicContact CD1-CE1 4.08Å; F403-F410 AromaticContact CD2-CE1 3.64Å; F403-F410 HydrophobicContact CD2-CE1 3.64Å; F403-F410 HydrophobicContact CD2-CZ 4.29Å; F403-F410 HydrophobicContact CE2-CE1 4.11Å; F403-F410 AromaticContact CG-CE1 3.61Å; F403-F410 HydrophobicContact CG-CE1 3.61Å; F403-F410 HydrophobicContact CG-CZ 4.26Å; F403-V415 HydrophobicContact CE2-CG2 4.14Å; F403-V415 HydrophobicContact CZ-CG2 4.25Å; F403-A418 HydrophobicContact CE1-CB 4.09Å; F403-A418 HydrophobicContact CE2-CB 3.99Å; F403-A418 HydrophobicContact CZ-CB 3.36Å
404	P	95	Very high	96.8	Very high	95 Å²	95	51 Å²	51	62%	0.617	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.2	-171.5	23.7	-35.1	0	0	0	115.2	R400	R400-P404 WeakPolarHBondContact O-CA 3.48Å
405	N	95.8	Very high	97	Very high	165 Å²	165	50.6 Å²	50.6	88%	0.882	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	12.8	-177.8	-58.8	-33.6	0	0	0	113.3	F403	F403-N405 PolarHBondContact O-N 3.21Å
406	K	95.5	Very high	97	Very high	68 Å²	68	52.1 Å²	52.1	30%	0.296	27%	0.269	S	S	.	.			trans	-143.4	129.1	-175.3	-174.7	179.8	-179.3	178.3	0	110.3	F403 T408 G409 F410 E414	F403-K406 HydrophobicContact CB-CB 4.24Å; F403-K406 PolarHBondContact O-N 2.87Å; F403-K406 VanDerWaalsContact O-N 3.12Å; K406-T408 WeakPolarHBondContact CE-O 3.44Å; K406-T408 WeakPolarHBondContact CG-O 3.34Å; K406-G409 VanDerWaalsContact CE-O 3.23Å; K406-G409 WeakPolarHBondContact CE-O 3.44Å; K406-G409 PolarHBondContact NZ-O 3.42Å; K406-F410 HydrophobicContact CB-CE1 4.42Å; K406-F410 HydrophobicContact CB-CZ 4.18Å; K406-F410 HydrophobicContact CD-CD1 4.03Å; K406-F410 HydrophobicContact CD-CE1 3.72Å; K406-F410 HydrophobicContact CD-CZ 4.14Å; K406-F410 HydrophobicContact CG-CE1 3.94Å; K406-F410 HydrophobicContact CG-CE2 4.28Å; K406-F410 HydrophobicContact CG-CZ 3.82Å; K406-F410 WeakPolarHBondContact O-CZ 3.17Å; K406-E414 IonicContact NZ-OE1 3.75Å; K406-E414 PolarHBondContact NZ-OE1 3.34Å; K406-E414 IonicContact NZ-OE2 2.67Å; K406-E414 PolarHBondContact NZ-OE2 3.29Å
407	N	95.6	Very high	97.2	Very high	66 Å²	66	57 Å²	57	35%	0.353	30%	0.295	S	S	.	.	S	Bend	trans	-124.7	-3.8	174.1	68.3	-8.6	0	0	0	113.3	T471 F472 D473	N407-T471 CarbonylContact O-C 3.49Å; N407-T471 WeakPolarHBondContact O-CA 3.22Å; N407-F472 WeakPolarHBondContact CB-O 3.38Å; N407-F472 PolarHBondContact O-N 3.23Å; N407-D473 PolarHBondContact ND2-OD2 2.91Å
408	T	96.5	Very high	97.3	Very high	63 Å²	63	53.1 Å²	53.1	39%	0.387	28%	0.284	S	S	.	.	S	Bend	trans	-149.2	171.9	-179.1	-164.3	0	0	0	0	111.3	K406 F410 T471	K406-T408 WeakPolarHBondContact CE-O 3.44Å; K406-T408 WeakPolarHBondContact CG-O 3.34Å; T408-F410 VanDerWaalsContact C-N 3.3Å; T408-T471 PolarHBondContact OG1-OG1 2.94Å
409	G	97.3	Very high	97.5	Very high	32 Å²	32	53.1 Å²	53.1	33%	0.33	28%	0.284	S	S	.	.	S	Bend	trans	68.3	32	-178.4	0	0	0	0	0	112.5	K406	K406-G409 VanDerWaalsContact CE-O 3.23Å; K406-G409 WeakPolarHBondContact CE-O 3.44Å; K406-G409 PolarHBondContact NZ-O 3.42Å
410	F	98.3	Very high	97.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.291	C	S	.	.			trans	-73.2	153.1	179.7	-73	-79.9	0	0	0	112.2	M399 F403 K406 T408 E414 V415 W467 K468 F472	M399-F410 HydrophobicContact CB-CZ 4.44Å; F403-F410 HydrophobicContact CB-CE1 3.86Å; F403-F410 HydrophobicContact CB-CZ 4.05Å; F403-F410 HydrophobicContact CD1-CE1 4.08Å; F403-F410 AromaticContact CD2-CE1 3.64Å; F403-F410 HydrophobicContact CD2-CE1 3.64Å; F403-F410 HydrophobicContact CD2-CZ 4.29Å; F403-F410 HydrophobicContact CE2-CE1 4.11Å; F403-F410 AromaticContact CG-CE1 3.61Å; F403-F410 HydrophobicContact CG-CE1 3.61Å; F403-F410 HydrophobicContact CG-CZ 4.26Å; K406-F410 HydrophobicContact CB-CE1 4.42Å; K406-F410 HydrophobicContact CB-CZ 4.18Å; K406-F410 HydrophobicContact CD-CD1 4.03Å; K406-F410 HydrophobicContact CD-CE1 3.72Å; K406-F410 HydrophobicContact CD-CZ 4.14Å; K406-F410 HydrophobicContact CG-CE1 3.94Å; K406-F410 HydrophobicContact CG-CE2 4.28Å; K406-F410 HydrophobicContact CG-CZ 3.82Å; K406-F410 WeakPolarHBondContact O-CZ 3.17Å; T408-F410 VanDerWaalsContact C-N 3.3Å; F410-E414 VanDerWaalsContact C-OE1 3.29Å; F410-E414 WeakPolarHBondContact CA-OE1 3.19Å; F410-E414 VanDerWaalsContact CD1-OE1 3.25Å; F410-E414 WeakPolarHBondContact CD1-OE1 3.46Å; F410-V415 HydrophobicContact CB-CG2 4.05Å; F410-V415 HydrophobicContact CD1-CG2 3.64Å; F410-V415 HydrophobicContact CE1-CG2 4.43Å; F410-V415 HydrophobicContact CG-CG2 4.13Å; F410-W467 HydrophobicContact CB-CE3 4.41Å; F410-W467 CarbonylContact O-C 3.59Å; F410-W467 WeakPolarHBondContact O-CB 3.04Å; F410-K468 WeakPolarHBondContact O-CA 3.41Å; F410-K468 WeakPolarHBondContact O-CG 3.45Å; F410-K468 PolarHBondContact O-N 3.28Å; F410-F472 AromaticContact CD2-CD2 3.56Å; F410-F472 HydrophobicContact CD2-CD2 3.56Å; F410-F472 AromaticContact CD2-CE2 3.97Å; F410-F472 HydrophobicContact CD2-CE2 3.97Å; F410-F472 HydrophobicContact CE2-CB 4.39Å; F410-F472 AromaticContact CE2-CD2 3.77Å; F410-F472 HydrophobicContact CE2-CD2 3.77Å; F410-F472 HydrophobicContact CE2-CG 4.48Å; F410-F472 HydrophobicContact CG-CD2 4.45Å; F410-F472 HydrophobicContact CG-CE2 4.48Å
411	T	98.5	Very high	97.6	Very high	26 Å²	26	55 Å²	55	16%	0.16	30%	0.297	C	S	.	.			trans	-112.2	152.4	165.5	73.3	0	0	0	0	110.5	T413 E414 V415 D464 K468	T411-T413 VanDerWaalsContact C-N 3.26Å; T411-T413 PolarHBondContact O-N 3.24Å; T411-E414 PolarHBondContact N-OE1 3.35Å; T411-E414 WeakPolarHBondContact O-CG 3.4Å; T411-E414 WeakPolarHBondContact OG1-CB 3.49Å; T411-E414 VanDerWaalsContact OG1-CG 3.3Å; T411-E414 WeakPolarHBondContact OG1-CG 3.29Å; T411-E414 PolarHBondContact OG1-N 2.88Å; T411-E414 VanDerWaalsContact OG1-N 3.09Å; T411-V415 WeakPolarHBondContact O-CG2 3.28Å; T411-V415 PolarHBondContact O-N 3.45Å; T411-D464 WeakPolarHBondContact CB-OD1 3.44Å; T411-D464 HydrophobicContact CG2-CB 4.24Å; T411-K468 HydrophobicContact CG2-CG 4.35Å
412	L	98.7	Very high	97.8	Very high	17 Å²	17	51.9 Å²	51.9	9%	0.089	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-42	176.2	170.4	58.4	0	0	0	109.9	T416 I453 T462 D464 W467	L412-T416 WeakPolarHBondContact O-CB 3.33Å; L412-T416 PolarHBondContact O-N 3.49Å; L412-T416 PolarHBondContact O-OG1 3.02Å; L412-I453 HydrophobicContact CD1-CG2 3.87Å; L412-T462 WeakPolarHBondContact CD2-O 3.25Å; L412-D464 WeakPolarHBondContact CA-OD1 3.46Å; L412-D464 WeakPolarHBondContact CB-OD1 3.47Å; L412-D464 PolarHBondContact N-OD1 2.93Å; L412-W467 HydrophobicContact CB-CD2 4.09Å; L412-W467 HydrophobicContact CB-CG 3.83Å; L412-W467 HydrophobicContact CD1-CD2 4.43Å; L412-W467 HydrophobicContact CD1-CH2 4.49Å; L412-W467 HydrophobicContact CD1-CZ2 3.66Å
413	T	98.7	Very high	97.8	Very high	71 Å²	71	49.9 Å²	49.9	44%	0.436	28%	0.275	S	S	.	.	H	α-helix	trans	-61.1	-51.7	179.8	-53.9	0	0	0	0	111.5	T411 V415 T416 D417 D464	T411-T413 VanDerWaalsContact C-N 3.26Å; T411-T413 PolarHBondContact O-N 3.24Å; T413-V415 VanDerWaalsContact C-N 3.34Å; T413-V415 PolarHBondContact O-N 3Å; T413-T416 PolarHBondContact O-N 2.96Å; T413-D417 WeakPolarHBondContact O-CB 3.24Å; T413-D417 PolarHBondContact O-N 3.46Å; T413-D464 PolarHBondContact N-OD1 3.24Å; T413-D464 PolarHBondContact OG1-OD1 3.11Å; T413-D464 VanDerWaalsContact OG1-OD1 3.11Å; T413-D464 PolarHBondContact OG1-OD2 2.83Å
414	E	98.5	Very high	97.9	Very high	58 Å²	58	54.4 Å²	54.4	27%	0.271	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-38.4	-176.3	80.7	-175.1	166.6	0	0	112.1	K406 F410 T411 A418	K406-E414 IonicContact NZ-OE1 3.75Å; K406-E414 PolarHBondContact NZ-OE1 3.34Å; K406-E414 IonicContact NZ-OE2 2.67Å; K406-E414 PolarHBondContact NZ-OE2 3.29Å; F410-E414 VanDerWaalsContact C-OE1 3.29Å; F410-E414 WeakPolarHBondContact CA-OE1 3.19Å; F410-E414 VanDerWaalsContact CD1-OE1 3.25Å; F410-E414 WeakPolarHBondContact CD1-OE1 3.46Å; T411-E414 PolarHBondContact N-OE1 3.35Å; T411-E414 WeakPolarHBondContact O-CG 3.4Å; T411-E414 WeakPolarHBondContact OG1-CB 3.49Å; T411-E414 VanDerWaalsContact OG1-CG 3.3Å; T411-E414 WeakPolarHBondContact OG1-CG 3.29Å; T411-E414 PolarHBondContact OG1-N 2.88Å; T411-E414 VanDerWaalsContact OG1-N 3.09Å; E414-A418 WeakPolarHBondContact O-CB 3.44Å; E414-A418 PolarHBondContact O-N 3.02Å
415	V	98.7	Very high	98	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-70.5	-42.6	179.8	174.2	0	0	0	0	109.7	M399 F403 F410 T411 T413 A418 V419 I453 W467	M399-V415 HydrophobicContact CE-CG1 3.72Å; M399-V415 HydrophobicContact SD-CG1 3.86Å; M399-V415 HydrophobicContact SD-CG2 4.4Å; F403-V415 HydrophobicContact CE2-CG2 4.14Å; F403-V415 HydrophobicContact CZ-CG2 4.25Å; F410-V415 HydrophobicContact CB-CG2 4.05Å; F410-V415 HydrophobicContact CD1-CG2 3.64Å; F410-V415 HydrophobicContact CE1-CG2 4.43Å; F410-V415 HydrophobicContact CG-CG2 4.13Å; T411-V415 WeakPolarHBondContact O-CG2 3.28Å; T411-V415 PolarHBondContact O-N 3.45Å; T413-V415 VanDerWaalsContact C-N 3.34Å; T413-V415 PolarHBondContact O-N 3Å; V415-A418 PolarHBondContact O-N 2.76Å; V415-V419 HydrophobicContact CG1-CG2 4.35Å; V415-V419 WeakPolarHBondContact O-CB 3.47Å; V415-V419 VanDerWaalsContact O-CG2 3.31Å; V415-V419 WeakPolarHBondContact O-CG2 3.34Å; V415-V419 PolarHBondContact O-N 3.46Å; V415-I453 HydrophobicContact CG1-CD1 4.22Å; V415-I453 HydrophobicContact CG1-CG1 4.09Å; V415-W467 HydrophobicContact CB-CE3 4.4Å; V415-W467 HydrophobicContact CB-CH2 4.5Å; V415-W467 HydrophobicContact CB-CZ3 3.9Å; V415-W467 HydrophobicContact CG1-CH2 4.13Å; V415-W467 HydrophobicContact CG1-CZ3 3.78Å; V415-W467 HydrophobicContact CG2-CE3 4.14Å; V415-W467 HydrophobicContact CG2-CZ3 3.9Å
416	T	98.8	Very high	98.1	Very high	33 Å²	33	48.1 Å²	48.1	20%	0.202	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-50.7	175.3	-59.5	0	0	0	0	110.6	L412 T413 A418 V419 M420	L412-T416 WeakPolarHBondContact O-CB 3.33Å; L412-T416 PolarHBondContact O-N 3.49Å; L412-T416 PolarHBondContact O-OG1 3.02Å; T413-T416 PolarHBondContact O-N 2.96Å; T416-A418 VanDerWaalsContact C-N 3.34Å; T416-A418 PolarHBondContact O-N 2.93Å; T416-V419 PolarHBondContact O-N 2.75Å; T416-M420 HydrophobicContact CG2-CG 4.01Å; T416-M420 VanDerWaalsContact O-CB 3.28Å; T416-M420 WeakPolarHBondContact O-CB 3.38Å; T416-M420 WeakPolarHBondContact O-CG 3.15Å; T416-M420 PolarHBondContact O-N 3.22Å
417	D	98.8	Very high	98.3	Very high	103 Å²	103	46.6 Å²	46.6	55%	0.551	25%	0.245	S	C	*	.	H	α-helix	trans	-60.9	-42.7	-179.7	-73.9	-17.2	0	0	0	112.3	T413 K421	T413-D417 WeakPolarHBondContact O-CB 3.24Å; T413-D417 PolarHBondContact O-N 3.46Å; D417-K421 WeakPolarHBondContact O-CB 3.37Å; D417-K421 PolarHBondContact O-N 2.74Å
418	A	98.7	Very high	98.4	Very high	22 Å²	22	50.6 Å²	50.6	18%	0.182	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-46.1	178.1	0	0	0	0	0	112.3	L402 F403 E414 V415 T416 K421 F422	L402-A418 HydrophobicContact CD1-CB 4.5Å; F403-A418 HydrophobicContact CE1-CB 4.09Å; F403-A418 HydrophobicContact CE2-CB 3.99Å; F403-A418 HydrophobicContact CZ-CB 3.36Å; E414-A418 WeakPolarHBondContact O-CB 3.44Å; E414-A418 PolarHBondContact O-N 3.02Å; V415-A418 PolarHBondContact O-N 2.76Å; T416-A418 VanDerWaalsContact C-N 3.34Å; T416-A418 PolarHBondContact O-N 2.93Å; A418-K421 PolarHBondContact O-N 2.72Å; A418-F422 WeakPolarHBondContact O-CB 2.79Å; A418-F422 PolarHBondContact O-N 2.77Å
419	V	98.8	Very high	98.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-46.8	177.7	171.5	0	0	0	0	110.7	L402 V415 T416 K421 F422 C423 L450 I453	L402-V419 HydrophobicContact CD1-CG2 3.66Å; V415-V419 HydrophobicContact CG1-CG2 4.35Å; V415-V419 WeakPolarHBondContact O-CB 3.47Å; V415-V419 VanDerWaalsContact O-CG2 3.31Å; V415-V419 WeakPolarHBondContact O-CG2 3.34Å; V415-V419 PolarHBondContact O-N 3.46Å; T416-V419 PolarHBondContact O-N 2.75Å; V419-K421 VanDerWaalsContact C-N 3.31Å; V419-K421 PolarHBondContact O-N 3.36Å; V419-F422 WeakPolarHBondContact O-CB 3.37Å; V419-F422 PolarHBondContact O-N 2.84Å; V419-F422 VanDerWaalsContact O-N 3.14Å; V419-C423 PolarHBondContact O-N 2.81Å; V419-C423 PolarHBondContact O-SG 2.92Å; V419-C423 VanDerWaalsContact O-SG 3.35Å; V419-L450 HydrophobicContact CG1-CD2 3.72Å; V419-L450 HydrophobicContact CG1-CG 3.85Å; V419-I453 HydrophobicContact CB-CD1 3.91Å; V419-I453 HydrophobicContact CG1-CD1 4.17Å; V419-I453 HydrophobicContact CG2-CD1 3.9Å
420	M	98.7	Very high	98.5	Very high	32 Å²	32	50.1 Å²	50.1	16%	0.158	25%	0.247	C	C	.	.	H	α-helix	trans	-59.5	-42.1	177.9	-69.9	-65.6	-74	0	0	111.7	P355 N356 T416 K424 L450	P355-M420 HydrophobicContact CB-CE 3.95Å; P355-M420 HydrophobicContact CB-SD 3.54Å; P355-M420 VanDerWaalsContact CB-SD 3.54Å; P355-M420 HydrophobicContact CG-CE 3.61Å; P355-M420 HydrophobicContact CG-SD 3.78Å; N356-M420 WeakPolarHBondContact OD1-CE 3.17Å; T416-M420 HydrophobicContact CG2-CG 4.01Å; T416-M420 VanDerWaalsContact O-CB 3.28Å; T416-M420 WeakPolarHBondContact O-CB 3.38Å; T416-M420 WeakPolarHBondContact O-CG 3.15Å; T416-M420 PolarHBondContact O-N 3.22Å; M420-K424 WeakPolarHBondContact O-CG 3.21Å; M420-K424 PolarHBondContact O-N 2.82Å; M420-L450 HydrophobicContact SD-CD2 3.86Å
421	K	98.6	Very high	98.5	Very high	154 Å²	154	51 Å²	51	67%	0.67	26%	0.255	S	S	*	.	H	α-helix	trans	-66.4	-40	175.6	-176.1	177.5	-177.3	177.3	0	111.8	D417 A418 V419 K424	D417-K421 WeakPolarHBondContact O-CB 3.37Å; D417-K421 PolarHBondContact O-N 2.74Å; A418-K421 PolarHBondContact O-N 2.72Å; V419-K421 VanDerWaalsContact C-N 3.31Å; V419-K421 PolarHBondContact O-N 3.36Å; K421-K424 PolarHBondContact O-N 3.13Å
422	F	98.6	Very high	98.4	Very high	8 Å²	8	58.6 Å²	58.6	4%	0.035	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-46.8	175.9	175.3	-101.7	0	0	0	111.8	L306 Y401 L402 A418 V419 K424 K425 V430 T442 C446	L306-F422 HydrophobicContact CD1-CE1 3.86Å; L306-F422 HydrophobicContact CD1-CZ 4.22Å; L306-F422 HydrophobicContact CD2-CE1 4.4Å; L306-F422 HydrophobicContact CD2-CE2 4.38Å; L306-F422 HydrophobicContact CD2-CZ 4.06Å; Y401-F422 HydrophobicContact CE1-CD2 4.11Å; Y401-F422 AromaticContact CE1-CE2 3.6Å; Y401-F422 HydrophobicContact CE1-CE2 3.6Å; Y401-F422 HydrophobicContact CE1-CZ 4.1Å; L402-F422 HydrophobicContact CD2-CB 3.93Å; L402-F422 HydrophobicContact CD2-CD2 4Å; L402-F422 HydrophobicContact CD2-CG 3.94Å; A418-F422 WeakPolarHBondContact O-CB 2.79Å; A418-F422 PolarHBondContact O-N 2.77Å; V419-F422 WeakPolarHBondContact O-CB 3.37Å; V419-F422 PolarHBondContact O-N 2.84Å; V419-F422 VanDerWaalsContact O-N 3.14Å; F422-K424 PolarHBondContact O-N 3.49Å; F422-K425 HydrophobicContact CD2-CD 4.25Å; F422-K425 WeakPolarHBondContact O-CB 3.45Å; F422-K425 PolarHBondContact O-N 3.06Å; F422-V430 HydrophobicContact CE2-CG1 4.19Å; F422-V430 HydrophobicContact CE2-CG2 4.24Å; F422-V430 HydrophobicContact CZ-CG1 4.45Å; F422-T442 HydrophobicContact CE2-CG2 4.46Å; F422-T442 HydrophobicContact CZ-CG2 4.05Å; F422-C446 HydrophobicContact CD1-CB 4.36Å; F422-C446 HydrophobicContact CE1-CB 4.34Å
423	C	98.7	Very high	98.3	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-58.1	-29.7	178.8	-75.1	0	0	0	0	114.3	G353 P355 V419 K425 C446	G353-C423 WeakPolarHBondContact CA-O 3.13Å; P355-C423 HydrophobicContact CB-CB 3.7Å; P355-C423 HydrophobicContact CG-CB 3.93Å; V419-C423 PolarHBondContact O-N 2.81Å; V419-C423 PolarHBondContact O-SG 2.92Å; V419-C423 VanDerWaalsContact O-SG 3.35Å; C423-K425 VanDerWaalsContact C-N 3.33Å; C423-C446 HydrophobicContact CB-CB 4Å; C423-C446 WeakPolarHBondContact CB-SG 3.41Å; C423-C446 WeakPolarHBondContact SG-CA 3.48Å; C423-C446 WeakPolarHBondContact SG-CB 3.44Å; C423-C446 CovalentContact SG-SG 2.03Å; C423-C446 PolarHBondContact SG-SG 3.14Å
424	K	98.4	Very high	98.1	Very high	129 Å²	129	61.7 Å²	61.7	56%	0.561	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.5	178.5	-68.5	175.5	-177.3	178.6	0	113.8	P355 M420 K421 F422	P355-K424 HydrophobicContact CG-CG 4.25Å; M420-K424 WeakPolarHBondContact O-CG 3.21Å; M420-K424 PolarHBondContact O-N 2.82Å; K421-K424 PolarHBondContact O-N 3.13Å; F422-K424 PolarHBondContact O-N 3.49Å
425	K	98.2	Very high	98	Very high	93 Å²	93	66.1 Å²	66.1	40%	0.404	32%	0.317	S	S	.	.	S	Bend	trans	-74	140.9	178	-70.9	178.5	174.6	-71.5	0	110.8	L306 F422 C423 W427 V430	L306-K425 HydrophobicContact CD2-CB 4.35Å; F422-K425 HydrophobicContact CD2-CD 4.25Å; F422-K425 WeakPolarHBondContact O-CB 3.45Å; F422-K425 PolarHBondContact O-N 3.06Å; C423-K425 VanDerWaalsContact C-N 3.33Å; K425-W427 PolarHBondContact O-N 2.92Å; K425-V430 HydrophobicContact CB-CG2 3.84Å; K425-V430 HydrophobicContact CD-CG2 4.04Å
426	P	98.3	Very high	97.8	Very high	36 Å²	36	73 Å²	73	23%	0.234	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-62	134.2	167.8	-21.9	34.2	0	0	0	110.9	K428 D429 V430	P426-K428 HydrophobicContact CB-CG 3.84Å; P426-K428 PolarHBondContact O-N 2.91Å; P426-D429 WeakPolarHBondContact CG-OD2 3.41Å; P426-D429 PolarHBondContact O-N 3.48Å; P426-D429 VanDerWaalsContact O-N 3.07Å; P426-V430 PolarHBondContact O-N 3.44Å
427	W	98.4	Very high	97.5	Very high	35 Å²	35	75.7 Å²	75.7	13%	0.133	37%	0.373	C	S	.	.	H	α-helix	trans	-56.3	-39.4	178.8	171.3	-119.1	0	0	0	112.3	L306 Q307 Y309 K425 D429 V430 A431 Q439 A443	L306-W427 HydrophobicContact CB-CB 4.16Å; L306-W427 HydrophobicContact CD2-CE3 4.32Å; Q307-W427 PolarHBondContact O-N 3.37Å; Y309-W427 AromaticContact CD2-CD1 3.82Å; Y309-W427 AromaticContact CD2-CD2 3.65Å; Y309-W427 HydrophobicContact CD2-CD2 3.65Å; Y309-W427 AromaticContact CD2-CE2 3.55Å; Y309-W427 HydrophobicContact CD2-CE3 4.25Å; Y309-W427 AromaticContact CD2-CG 3.84Å; Y309-W427 HydrophobicContact CD2-CG 3.84Å; Y309-W427 HydrophobicContact CD2-CZ2 4.08Å; Y309-W427 AromaticContact CD2-NE1 3.63Å; Y309-W427 HydrophobicContact CE2-CD2 4.49Å; Y309-W427 HydrophobicContact CE2-CZ2 4.12Å; Y309-W427 HydrophobicContact CG-CD2 4.47Å; Y309-W427 HydrophobicContact CG-CG 4.36Å; K425-W427 PolarHBondContact O-N 2.92Å; W427-D429 PolarHBondContact O-N 3.46Å; W427-V430 HydrophobicContact CE3-CB 4.19Å; W427-V430 HydrophobicContact CE3-CG1 4.27Å; W427-V430 HydrophobicContact CZ3-CB 4.39Å; W427-V430 HydrophobicContact CZ3-CG1 3.99Å; W427-V430 PolarHBondContact O-N 3.23Å; W427-V430 VanDerWaalsContact O-N 3.16Å; W427-A431 HydrophobicContact CD2-CB 4.2Å; W427-A431 HydrophobicContact CH2-CB 4.35Å; W427-A431 HydrophobicContact CZ2-CB 3.84Å; W427-A431 VanDerWaalsContact O-CB 3.31Å; W427-A431 WeakPolarHBondContact O-CB 3.39Å; W427-A431 PolarHBondContact O-N 2.98Å; W427-Q439 HydrophobicContact CH2-CB 3.87Å; W427-Q439 HydrophobicContact CH2-CG 4.08Å; W427-Q439 HydrophobicContact CZ2-CB 4.08Å; W427-Q439 HydrophobicContact CZ2-CG 4.26Å; W427-A443 HydrophobicContact CH2-CB 3.86Å; W427-A443 HydrophobicContact CZ2-CB 4.47Å; W427-A443 HydrophobicContact CZ3-CB 3.9Å
428	K	98	Very high	97.4	Very high	151 Å²	151	74 Å²	74	66%	0.657	36%	0.364	S	S	*	.	H	α-helix	trans	-53.5	-36.9	177.4	60.1	170.5	-174	176.3	0	113.4	P426 K432	P426-K428 HydrophobicContact CB-CG 3.84Å; P426-K428 PolarHBondContact O-N 2.91Å; K428-K432 WeakPolarHBondContact O-CB 3.31Å; K428-K432 PolarHBondContact O-N 2.9Å
429	D	98.2	Very high	97.2	Very high	82 Å²	82	75.1 Å²	75.1	44%	0.439	37%	0.366	S	S	.	.	H	α-helix	trans	-79.7	-36.2	-175.9	-60.9	-23.9	0	0	0	110.2	P426 W427	P426-D429 WeakPolarHBondContact CG-OD2 3.41Å; P426-D429 PolarHBondContact O-N 3.48Å; P426-D429 VanDerWaalsContact O-N 3.07Å; W427-D429 PolarHBondContact O-N 3.46Å
430	V	98	Very high	96.9	Very high	3 Å²	3	77.3 Å²	77.3	2%	0.018	39%	0.388	C	S	.	.	H	α-helix	trans	-68.9	-49.5	174.1	178	0	0	0	0	110.6	L306 F422 K425 P426 W427 K432 I433 T434 T442	L306-V430 HydrophobicContact CD2-CB 4.12Å; L306-V430 HydrophobicContact CD2-CG1 4.4Å; L306-V430 HydrophobicContact CD2-CG2 3.59Å; F422-V430 HydrophobicContact CE2-CG1 4.19Å; F422-V430 HydrophobicContact CE2-CG2 4.24Å; F422-V430 HydrophobicContact CZ-CG1 4.45Å; K425-V430 HydrophobicContact CB-CG2 3.84Å; K425-V430 HydrophobicContact CD-CG2 4.04Å; P426-V430 PolarHBondContact O-N 3.44Å; W427-V430 HydrophobicContact CE3-CB 4.19Å; W427-V430 HydrophobicContact CE3-CG1 4.27Å; W427-V430 HydrophobicContact CZ3-CB 4.39Å; W427-V430 HydrophobicContact CZ3-CG1 3.99Å; W427-V430 PolarHBondContact O-N 3.23Å; W427-V430 VanDerWaalsContact O-N 3.16Å; V430-K432 PolarHBondContact O-N 3.45Å; V430-I433 WeakPolarHBondContact O-CG1 3.45Å; V430-I433 PolarHBondContact O-N 2.9Å; V430-T434 WeakPolarHBondContact O-CB 3.41Å; V430-T434 PolarHBondContact O-N 2.73Å; V430-T434 PolarHBondContact O-OG1 3.4Å; V430-T442 HydrophobicContact CG1-CG2 3.53Å
431	A	97.4	Very high	96.7	Very high	18 Å²	18	82 Å²	82	15%	0.149	41%	0.408	C	S	.	.	H	α-helix	trans	-57.5	-35.3	178.5	0	0	0	0	0	112.8	W427 I433 T434 Q439	W427-A431 HydrophobicContact CD2-CB 4.2Å; W427-A431 HydrophobicContact CH2-CB 4.35Å; W427-A431 HydrophobicContact CZ2-CB 3.84Å; W427-A431 VanDerWaalsContact O-CB 3.31Å; W427-A431 WeakPolarHBondContact O-CB 3.39Å; W427-A431 PolarHBondContact O-N 2.98Å; A431-I433 VanDerWaalsContact C-N 3.28Å; A431-I433 PolarHBondContact O-N 3.38Å; A431-T434 PolarHBondContact O-N 3.33Å; A431-T434 VanDerWaalsContact O-O 3.1Å; A431-Q439 PolarHBondContact O-NE2 2.78Å
432	K	97.2	Very high	96.6	Very high	185 Å²	185	74.8 Å²	74.8	80%	0.804	38%	0.377	S	S	*	.	H	α-helix	trans	-63.2	-32	178	-174.9	176.7	178.8	-179	0	113.2	K428 V430	K428-K432 WeakPolarHBondContact O-CB 3.31Å; K428-K432 PolarHBondContact O-N 2.9Å; V430-K432 PolarHBondContact O-N 3.45Å
433	I	96	Very high	96.5	Very high	138 Å²	138	74.4 Å²	74.4	71%	0.708	38%	0.375	S	S	*	.	H	α-helix	trans	-101.5	-8.5	-178.1	65.8	169.9	0	0	0	113.2	V430 A431	V430-I433 WeakPolarHBondContact O-CG1 3.45Å; V430-I433 PolarHBondContact O-N 2.9Å; A431-I433 VanDerWaalsContact C-N 3.28Å; A431-I433 PolarHBondContact O-N 3.38Å
434	T	96.1	Very high	96.4	Very high	15 Å²	15	77 Å²	77	9%	0.092	39%	0.386	C	S	.	.	S	Bend	trans	-100.9	129.7	-179.2	-58.7	0	0	0	0	110.6	V430 A431 D438 Q439 T442	V430-T434 WeakPolarHBondContact O-CB 3.41Å; V430-T434 PolarHBondContact O-N 2.73Å; V430-T434 PolarHBondContact O-OG1 3.4Å; A431-T434 PolarHBondContact O-N 3.33Å; A431-T434 VanDerWaalsContact O-O 3.1Å; T434-D438 HydrophobicContact CG2-CB 3.91Å; T434-Q439 HydrophobicContact CG2-CG 3.86Å; T434-Q439 PolarHBondContact O-NE2 2.86Å; T434-Q439 VanDerWaalsContact O-NE2 3.16Å; T434-T442 HydrophobicContact CG2-CG2 4.27Å; T434-T442 WeakPolarHBondContact CG2-OG1 3.32Å
435	K	95.3	Very high	96.4	Very high	152 Å²	152	72.1 Å²	72.1	66%	0.661	36%	0.364	S	S	*	.			trans	-55	140.8	174	-64.2	178.8	-178.3	177	0	110.4	S437 D438 Q439	K435-S437 PolarHBondContact O-N 2.91Å; K435-S437 VanDerWaalsContact O-N 3.14Å; K435-D438 HydrophobicContact CB-CB 4.49Å; K435-D438 PolarHBondContact O-N 3.02Å; K435-Q439 PolarHBondContact O-N 3.02Å
436	L	93.9	Very high	96.5	Very high	145 Å²	145	67.7 Å²	67.7	76%	0.759	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-37.9	-177.2	-172.1	64.5	0	0	0	113	D438 Q439	L436-D438 PolarHBondContact O-N 2.97Å; L436-Q439 PolarHBondContact O-N 3.12Å
437	S	94.4	Very high	96.5	Very high	89 Å²	89	66 Å²	66	62%	0.622	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.2	176.3	58.9	0	0	0	0	114.3	K435	K435-S437 PolarHBondContact O-N 2.91Å; K435-S437 VanDerWaalsContact O-N 3.14Å
438	D	95	Very high	96.5	Very high	68 Å²	68	64.5 Å²	64.5	36%	0.364	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-14.8	-173.1	-57.5	-19.1	0	0	0	111.5	T434 K435 L436 G440 F441 T442	T434-D438 HydrophobicContact CG2-CB 3.91Å; K435-D438 HydrophobicContact CB-CB 4.49Å; K435-D438 PolarHBondContact O-N 3.02Å; L436-D438 PolarHBondContact O-N 2.97Å; D438-G440 VanDerWaalsContact C-N 3.28Å; D438-G440 PolarHBondContact O-N 3.39Å; D438-F441 PolarHBondContact O-N 2.62Å; D438-T442 PolarHBondContact O-N 3.34Å; D438-T442 PolarHBondContact O-OG1 2.82Å
439	Q	95.5	Very high	96.5	Very high	45 Å²	45	57.3 Å²	57.3	21%	0.21	30%	0.298	C	S	.	.	H	α-helix	trans	-58.2	-37.3	-175.3	-75.8	-176	14.9	0	0	112.9	W427 A431 T434 K435 L436 F441 T442 A443	W427-Q439 HydrophobicContact CH2-CB 3.87Å; W427-Q439 HydrophobicContact CH2-CG 4.08Å; W427-Q439 HydrophobicContact CZ2-CB 4.08Å; W427-Q439 HydrophobicContact CZ2-CG 4.26Å; A431-Q439 PolarHBondContact O-NE2 2.78Å; T434-Q439 HydrophobicContact CG2-CG 3.86Å; T434-Q439 PolarHBondContact O-NE2 2.86Å; T434-Q439 VanDerWaalsContact O-NE2 3.16Å; K435-Q439 PolarHBondContact O-N 3.02Å; L436-Q439 PolarHBondContact O-N 3.12Å; Q439-F441 VanDerWaalsContact C-N 3.28Å; Q439-F441 PolarHBondContact O-N 2.91Å; Q439-T442 PolarHBondContact O-N 3.34Å; Q439-A443 VanDerWaalsContact O-CB 3.27Å; Q439-A443 WeakPolarHBondContact O-CB 3.42Å; Q439-A443 PolarHBondContact O-N 2.68Å
440	G	92.8	Very high	96.5	Very high	46 Å²	46	53.6 Å²	53.6	47%	0.474	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-33.6	176.8	0	0	0	0	0	113.5	D438	D438-G440 VanDerWaalsContact C-N 3.28Å; D438-G440 PolarHBondContact O-N 3.39Å
441	F	94.4	Very high	96.6	Very high	129 Å²	129	53.5 Å²	53.5	57%	0.566	28%	0.277	S	S	*	.	H	α-helix	trans	-79.2	-48	173.8	-60.7	-71.8	0	0	0	111	D438 Q439 A443 K444 Y445	D438-F441 PolarHBondContact O-N 2.62Å; Q439-F441 VanDerWaalsContact C-N 3.28Å; Q439-F441 PolarHBondContact O-N 2.91Å; F441-A443 VanDerWaalsContact C-N 3.28Å; F441-A443 PolarHBondContact O-N 3.4Å; F441-K444 WeakPolarHBondContact O-CB 3.48Å; F441-K444 PolarHBondContact O-N 3.21Å; F441-Y445 HydrophobicContact CB-CE1 4.16Å; F441-Y445 VanDerWaalsContact O-CD1 3.3Å; F441-Y445 WeakPolarHBondContact O-CD1 3.34Å; F441-Y445 PolarHBondContact O-N 3.1Å
442	T	96.8	Very high	96.6	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-33.4	-176.7	-57.5	0	0	0	0	113	Y401 F422 V430 T434 D438 Q439 K444 Y445	Y401-T442 HydrophobicContact CE1-CG2 4.27Å; Y401-T442 HydrophobicContact CE2-CG2 4.1Å; Y401-T442 WeakPolarHBondContact OH-CG2 3.37Å; F422-T442 HydrophobicContact CE2-CG2 4.46Å; F422-T442 HydrophobicContact CZ-CG2 4.05Å; V430-T442 HydrophobicContact CG1-CG2 3.53Å; T434-T442 HydrophobicContact CG2-CG2 4.27Å; T434-T442 WeakPolarHBondContact CG2-OG1 3.32Å; D438-T442 PolarHBondContact O-N 3.34Å; D438-T442 PolarHBondContact O-OG1 2.82Å; Q439-T442 PolarHBondContact O-N 3.34Å; T442-K444 PolarHBondContact O-N 3.12Å; T442-Y445 HydrophobicContact CG2-CD2 4.21Å; T442-Y445 PolarHBondContact O-N 2.77Å
443	A	96.4	Very high	96.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-26.1	174.7	0	0	0	0	0	113.2	Y309 W427 Q439 F441	Y309-A443 HydrophobicContact CD2-CB 3.96Å; Y309-A443 HydrophobicContact CE1-CB 4.35Å; Y309-A443 HydrophobicContact CE2-CB 3.45Å; Y309-A443 VanDerWaalsContact CE2-CB 3.45Å; W427-A443 HydrophobicContact CH2-CB 3.86Å; W427-A443 HydrophobicContact CZ2-CB 4.47Å; W427-A443 HydrophobicContact CZ3-CB 3.9Å; Q439-A443 VanDerWaalsContact O-CB 3.27Å; Q439-A443 WeakPolarHBondContact O-CB 3.42Å; Q439-A443 PolarHBondContact O-N 2.68Å; F441-A443 VanDerWaalsContact C-N 3.28Å; F441-A443 PolarHBondContact O-N 3.4Å
444	K	96.7	Very high	96.9	Very high	55 Å²	55	38.1 Å²	38.1	24%	0.239	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-10.4	-177.6	-59.8	179.4	174.5	-139.8	0	114	E283 F441 T442 C446 F447 D448	E283-K444 WeakPolarHBondContact OE1-CD 3.01Å; E283-K444 VanDerWaalsContact OE1-CE 3.27Å; E283-K444 WeakPolarHBondContact OE1-CE 3.16Å; E283-K444 IonicContact OE1-NZ 3.29Å; E283-K444 PolarHBondContact OE1-NZ 3.26Å; E283-K444 IonicContact OE2-NZ 2.77Å; E283-K444 PolarHBondContact OE2-NZ 3.39Å; F441-K444 WeakPolarHBondContact O-CB 3.48Å; F441-K444 PolarHBondContact O-N 3.21Å; T442-K444 PolarHBondContact O-N 3.12Å; K444-C446 PolarHBondContact O-N 3.29Å; K444-C446 VanDerWaalsContact O-N 3.1Å; K444-F447 WeakPolarHBondContact O-CB 3.36Å; K444-F447 PolarHBondContact O-N 3.47Å; K444-F447 VanDerWaalsContact O-N 3.08Å; K444-D448 PolarHBondContact O-N 3.07Å
445	Y	98.1	Very high	97	Very high	26 Å²	26	37.4 Å²	37.4	10%	0.102	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-19.9	-174.8	-72.6	-12.7	0	0	0	114.8	V398 Y401 F441 T442 G449	V398-Y445 HydrophobicContact CG2-CD1 3.84Å; V398-Y445 HydrophobicContact CG2-CE1 4.39Å; V398-Y445 HydrophobicContact CG2-CG 4.24Å; Y401-Y445 AromaticContact CD1-CD2 3.49Å; Y401-Y445 HydrophobicContact CD1-CD2 3.49Å; Y401-Y445 VanDerWaalsContact CD1-CD2 3.49Å; Y401-Y445 AromaticContact CD1-CE2 3.86Å; Y401-Y445 HydrophobicContact CD1-CE2 3.86Å; Y401-Y445 HydrophobicContact CD2-CD2 4.07Å; Y401-Y445 AromaticContact CD2-CE2 3.61Å; Y401-Y445 HydrophobicContact CD2-CE2 3.61Å; Y401-Y445 AromaticContact CE1-CD2 3.96Å; Y401-Y445 HydrophobicContact CE1-CD2 3.96Å; Y401-Y445 HydrophobicContact CE1-CE2 4.47Å; Y401-Y445 HydrophobicContact CE2-CD2 4.47Å; Y401-Y445 HydrophobicContact CE2-CE2 4.24Å; Y401-Y445 AromaticContact CG-CD2 3.56Å; Y401-Y445 HydrophobicContact CG-CD2 3.56Å; Y401-Y445 AromaticContact CG-CE2 3.39Å; Y401-Y445 HydrophobicContact CG-CE2 3.39Å; F441-Y445 HydrophobicContact CB-CE1 4.16Å; F441-Y445 VanDerWaalsContact O-CD1 3.3Å; F441-Y445 WeakPolarHBondContact O-CD1 3.34Å; F441-Y445 PolarHBondContact O-N 3.1Å; T442-Y445 HydrophobicContact CG2-CD2 4.21Å; T442-Y445 PolarHBondContact O-N 2.77Å; Y445-G449 PolarHBondContact O-N 2.9Å
446	C	98.6	Very high	97.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.8	-55.3	170.4	174.7	0	0	0	0	110.7	C304 L306 F422 C423 K444 D448 G449 L450	C304-C446 WeakPolarHBondContact O-CB 3.44Å; C304-C446 PolarHBondContact O-SG 3.12Å; L306-C446 HydrophobicContact CD1-CB 3.68Å; F422-C446 HydrophobicContact CD1-CB 4.36Å; F422-C446 HydrophobicContact CE1-CB 4.34Å; C423-C446 HydrophobicContact CB-CB 4Å; C423-C446 WeakPolarHBondContact CB-SG 3.41Å; C423-C446 WeakPolarHBondContact SG-CA 3.48Å; C423-C446 WeakPolarHBondContact SG-CB 3.44Å; C423-C446 CovalentContact SG-SG 2.03Å; C423-C446 PolarHBondContact SG-SG 3.14Å; K444-C446 PolarHBondContact O-N 3.29Å; K444-C446 VanDerWaalsContact O-N 3.1Å; C446-D448 PolarHBondContact O-N 2.85Å; C446-G449 PolarHBondContact O-N 3.16Å; C446-L450 VanDerWaalsContact O-CG 3.28Å; C446-L450 WeakPolarHBondContact O-CG 3.23Å; C446-L450 PolarHBondContact O-N 3.22Å; C446-L450 VanDerWaalsContact O-N 3.1Å
447	F	98.7	Very high	97.4	Very high	1 Å²	1	27.5 Å²	27.5	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-55.3	-51.7	174.1	176.4	-95.1	0	0	0	111.4	F282 E283 V286 C304 I362 K444 G449 L450 Y451	F282-F447 AromaticContact CD1-CZ 3.85Å; F282-F447 HydrophobicContact CD1-CZ 3.85Å; F282-F447 HydrophobicContact CE1-CZ 4.32Å; E283-F447 VanDerWaalsContact CA-CZ 3.42Å; E283-F447 HydrophobicContact CB-CD1 4.09Å; E283-F447 HydrophobicContact CB-CE1 3.5Å; E283-F447 VanDerWaalsContact CB-CE1 3.5Å; E283-F447 HydrophobicContact CB-CZ 3.98Å; E283-F447 HydrophobicContact CG-CD1 4Å; E283-F447 HydrophobicContact CG-CE1 3.89Å; E283-F447 HydrophobicContact CG-CZ 4.39Å; V286-F447 HydrophobicContact CB-CE2 3.83Å; V286-F447 HydrophobicContact CB-CZ 4.25Å; V286-F447 HydrophobicContact CG1-CE2 3.86Å; V286-F447 HydrophobicContact CG2-CE2 3.95Å; V286-F447 HydrophobicContact CG2-CZ 4.14Å; C304-F447 HydrophobicContact CB-CB 4.17Å; C304-F447 HydrophobicContact CB-CD2 4Å; I362-F447 HydrophobicContact CD1-CD2 4.31Å; I362-F447 HydrophobicContact CD1-CE2 4.2Å; I362-F447 HydrophobicContact CG1-CD2 4.5Å; I362-F447 HydrophobicContact CG1-CE2 3.99Å; K444-F447 WeakPolarHBondContact O-CB 3.36Å; K444-F447 PolarHBondContact O-N 3.47Å; K444-F447 VanDerWaalsContact O-N 3.08Å; F447-G449 VanDerWaalsContact C-N 3.34Å; F447-G449 PolarHBondContact O-N 3.06Å; F447-L450 PolarHBondContact O-N 2.74Å; F447-Y451 VanDerWaalsContact O-CB 3.29Å; F447-Y451 WeakPolarHBondContact O-CB 3.28Å; F447-Y451 PolarHBondContact O-N 2.97Å
448	D	98.5	Very high	97.5	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-60	-43.7	-175.8	-65.8	-28.8	0	0	0	111.8	K279 V398 K444 C446 Y451 I452	K279-D448 WeakPolarHBondContact CE-OD1 3.24Å; K279-D448 WeakPolarHBondContact CE-OD2 3.43Å; K279-D448 IonicContact NZ-OD1 2.74Å; K279-D448 PolarHBondContact NZ-OD1 3.39Å; K279-D448 IonicContact NZ-OD2 3.19Å; K279-D448 PolarHBondContact NZ-OD2 3.48Å; V398-D448 HydrophobicContact CG2-CB 3.44Å; V398-D448 VanDerWaalsContact CG2-CB 3.44Å; K444-D448 PolarHBondContact O-N 3.07Å; C446-D448 PolarHBondContact O-N 2.85Å; D448-Y451 PolarHBondContact O-N 3.46Å; D448-I452 WeakPolarHBondContact O-CB 3.3Å; D448-I452 WeakPolarHBondContact O-CD1 3.33Å; D448-I452 VanDerWaalsContact O-CG1 3.23Å; D448-I452 WeakPolarHBondContact O-CG1 3.44Å; D448-I452 PolarHBondContact O-N 3.35Å
449	G	98.7	Very high	97.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.2	-46.5	178.2	0	0	0	0	0	112.6	Y445 C446 F447 Y451 I452 I453	Y445-G449 PolarHBondContact O-N 2.9Å; C446-G449 PolarHBondContact O-N 3.16Å; F447-G449 VanDerWaalsContact C-N 3.34Å; F447-G449 PolarHBondContact O-N 3.06Å; G449-Y451 VanDerWaalsContact C-N 3.29Å; G449-Y451 PolarHBondContact O-N 3.37Å; G449-I452 PolarHBondContact O-N 3.43Å; G449-I453 WeakPolarHBondContact O-CD1 3.33Å; G449-I453 VanDerWaalsContact O-CG1 3.3Å; G449-I453 WeakPolarHBondContact O-CG1 3.29Å; G449-I453 PolarHBondContact O-N 3.04Å
450	L	98.9	Very high	97.8	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-64.8	-35.9	177.9	-66.6	174.6	0	0	0	111.7	P355 C358 V359 I362 V419 M420 C446 F447 T454	P355-L450 HydrophobicContact CB-CD1 3.85Å; P355-L450 HydrophobicContact CB-CD2 4.28Å; C358-L450 HydrophobicContact CB-CD1 3.76Å; V359-L450 HydrophobicContact CG2-CB 4.31Å; V359-L450 HydrophobicContact CG2-CD1 4.29Å; V359-L450 HydrophobicContact CG2-CD2 3.81Å; V359-L450 HydrophobicContact CG2-CG 4.36Å; I362-L450 HydrophobicContact CD1-CB 3.79Å; V419-L450 HydrophobicContact CG1-CD2 3.72Å; V419-L450 HydrophobicContact CG1-CG 3.85Å; M420-L450 HydrophobicContact SD-CD2 3.86Å; C446-L450 VanDerWaalsContact O-CG 3.28Å; C446-L450 WeakPolarHBondContact O-CG 3.23Å; C446-L450 PolarHBondContact O-N 3.22Å; C446-L450 VanDerWaalsContact O-N 3.1Å; F447-L450 PolarHBondContact O-N 2.74Å; L450-T454 WeakPolarHBondContact O-CB 3.41Å; L450-T454 PolarHBondContact O-N 3.18Å; L450-T454 PolarHBondContact O-OG1 3.03Å
451	Y	98.8	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.7	-47.7	175.9	177.7	-129.5	0	0	0	111.8	L233 Y277 F282 I362 F366 F447 D448 G449 I453 T454 L455	L233-Y451 HydrophobicContact CD1-CE1 4.1Å; L233-Y451 HydrophobicContact CD2-CE1 4.43Å; Y277-Y451 VanDerWaalsContact C-OH 3.32Å; Y277-Y451 WeakPolarHBondContact CA-OH 3.4Å; Y277-Y451 WeakPolarHBondContact CB-OH 3.33Å; Y277-Y451 PolarHBondContact O-OH 2.93Å; F282-Y451 HydrophobicContact CB-CE1 4.18Å; F282-Y451 HydrophobicContact CB-CE2 4.39Å; F282-Y451 HydrophobicContact CD1-CD1 4.21Å; F282-Y451 AromaticContact CD1-CD2 3.36Å; F282-Y451 HydrophobicContact CD1-CD2 3.36Å; F282-Y451 HydrophobicContact CD1-CE1 4.03Å; F282-Y451 AromaticContact CD1-CE2 3.13Å; F282-Y451 HydrophobicContact CD1-CE2 3.13Å; F282-Y451 AromaticContact CD1-CG 3.9Å; F282-Y451 HydrophobicContact CD1-CG 3.9Å; F282-Y451 AromaticContact CD1-CZ 3.5Å; F282-Y451 VanDerWaalsContact CD1-CZ 3.5Å; F282-Y451 HydrophobicContact CD2-CE2 4.03Å; F282-Y451 AromaticContact CE1-CD2 3.28Å; F282-Y451 HydrophobicContact CE1-CD2 3.28Å; F282-Y451 AromaticContact CE1-CE2 3.24Å; F282-Y451 HydrophobicContact CE1-CE2 3.24Å; F282-Y451 HydrophobicContact CE1-CG 4.16Å; F282-Y451 HydrophobicContact CE2-CE2 4.08Å; F282-Y451 HydrophobicContact CG-CD2 4.25Å; F282-Y451 HydrophobicContact CG-CE1 4.22Å; F282-Y451 AromaticContact CG-CE2 3.58Å; F282-Y451 HydrophobicContact CG-CE2 3.58Å; F282-Y451 AromaticContact CG-CZ 3.56Å; F282-Y451 HydrophobicContact CZ-CD2 4.1Å; F282-Y451 AromaticContact CZ-CE2 3.72Å; F282-Y451 HydrophobicContact CZ-CE2 3.72Å; I362-Y451 HydrophobicContact CG2-CD2 4.22Å; F366-Y451 HydrophobicContact CE2-CE2 4.19Å; F366-Y451 HydrophobicContact CZ-CD2 4.5Å; F366-Y451 AromaticContact CZ-CE2 3.81Å; F366-Y451 HydrophobicContact CZ-CE2 3.81Å; F447-Y451 VanDerWaalsContact O-CB 3.29Å; F447-Y451 WeakPolarHBondContact O-CB 3.28Å; F447-Y451 PolarHBondContact O-N 2.97Å; D448-Y451 PolarHBondContact O-N 3.46Å; G449-Y451 VanDerWaalsContact C-N 3.29Å; G449-Y451 PolarHBondContact O-N 3.37Å; Y451-I453 VanDerWaalsContact C-N 3.33Å; Y451-I453 PolarHBondContact O-N 3.12Å; Y451-T454 PolarHBondContact O-N 2.79Å; Y451-L455 HydrophobicContact CE1-CD2 4.29Å; Y451-L455 HydrophobicContact CE2-CB 4.27Å; Y451-L455 VanDerWaalsContact O-CB 3.28Å; Y451-L455 WeakPolarHBondContact O-CB 3.47Å; Y451-L455 PolarHBondContact O-N 3.4Å
452	I	98.8	Very high	98.2	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-57.6	-46.2	176.9	-73	163	0	0	0	111	L233 F395 V398 M399 D448 G449 T454 L455 L456 F472	L233-I452 HydrophobicContact CD2-CG1 4.03Å; F395-I452 HydrophobicContact CD1-CB 4.39Å; F395-I452 HydrophobicContact CD1-CG1 3.93Å; F395-I452 HydrophobicContact CD1-CG2 3.79Å; F395-I452 HydrophobicContact CE1-CG1 4.37Å; F395-I452 HydrophobicContact CE1-CG2 4.2Å; V398-I452 HydrophobicContact CB-CD1 4.33Å; V398-I452 HydrophobicContact CG2-CD1 4.18Å; M399-I452 HydrophobicContact CE-CB 4.45Å; M399-I452 HydrophobicContact CE-CD1 4.5Å; M399-I452 HydrophobicContact CE-CG2 3.66Å; D448-I452 WeakPolarHBondContact O-CB 3.3Å; D448-I452 WeakPolarHBondContact O-CD1 3.33Å; D448-I452 VanDerWaalsContact O-CG1 3.23Å; D448-I452 WeakPolarHBondContact O-CG1 3.44Å; D448-I452 PolarHBondContact O-N 3.35Å; G449-I452 PolarHBondContact O-N 3.43Å; I452-T454 PolarHBondContact O-N 3.34Å; I452-L455 PolarHBondContact O-N 3.21Å; I452-L456 HydrophobicContact CG2-CD1 3.83Å; I452-L456 HydrophobicContact CG2-CG 4.4Å; I452-L456 WeakPolarHBondContact O-CB 3.41Å; I452-L456 WeakPolarHBondContact O-CG 3.31Å; I452-L456 PolarHBondContact O-N 3.05Å; I452-F472 HydrophobicContact CG2-CE1 4.38Å
453	I	98.8	Very high	98.3	Very high	7 Å²	7	20 Å²	20	4%	0.036	11%	0.112	C	C	.	.	H	α-helix	trans	-59.5	-48.3	177.5	-68.3	159.9	0	0	0	110.6	L412 V415 V419 G449 Y451 K457 W467	L412-I453 HydrophobicContact CD1-CG2 3.87Å; V415-I453 HydrophobicContact CG1-CD1 4.22Å; V415-I453 HydrophobicContact CG1-CG1 4.09Å; V419-I453 HydrophobicContact CB-CD1 3.91Å; V419-I453 HydrophobicContact CG1-CD1 4.17Å; V419-I453 HydrophobicContact CG2-CD1 3.9Å; G449-I453 WeakPolarHBondContact O-CD1 3.33Å; G449-I453 VanDerWaalsContact O-CG1 3.3Å; G449-I453 WeakPolarHBondContact O-CG1 3.29Å; G449-I453 PolarHBondContact O-N 3.04Å; Y451-I453 VanDerWaalsContact C-N 3.33Å; Y451-I453 PolarHBondContact O-N 3.12Å; I453-K457 HydrophobicContact CG2-CD 4.34Å; I453-K457 WeakPolarHBondContact O-CG 3.43Å; I453-K457 PolarHBondContact O-N 3.23Å; I453-K457 VanDerWaalsContact O-N 3.09Å; I453-W467 HydrophobicContact CG1-CH2 4.02Å
454	T	98.8	Very high	98.4	Very high	10 Å²	10	22.2 Å²	22.2	6%	0.061	12%	0.124	C	C	.	.	H	α-helix	trans	-63.3	-46.8	179.3	-59.8	0	0	0	0	111.4	I362 L363 F366 L450 Y451 I452 L456 K457 M458	I362-T454 HydrophobicContact CG2-CG2 3.83Å; L363-T454 HydrophobicContact CD2-CG2 3.68Å; L363-T454 HydrophobicContact CG-CG2 4.44Å; F366-T454 HydrophobicContact CD2-CG2 4.3Å; F366-T454 HydrophobicContact CE2-CG2 3.9Å; F366-T454 HydrophobicContact CZ-CG2 4.33Å; L450-T454 WeakPolarHBondContact O-CB 3.41Å; L450-T454 PolarHBondContact O-N 3.18Å; L450-T454 PolarHBondContact O-OG1 3.03Å; Y451-T454 PolarHBondContact O-N 2.79Å; I452-T454 PolarHBondContact O-N 3.34Å; T454-L456 PolarHBondContact O-N 3Å; T454-K457 WeakPolarHBondContact O-CB 3.22Å; T454-K457 PolarHBondContact O-N 2.83Å; T454-M458 HydrophobicContact CG2-CE 4.21Å; T454-M458 HydrophobicContact CG2-CG 4.34Å; T454-M458 VanDerWaalsContact O-CG 3.22Å; T454-M458 WeakPolarHBondContact O-CG 3.42Å; T454-M458 PolarHBondContact O-N 3.08Å
455	L	98.8	Very high	98.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.1	-45.4	-179.3	179.3	60.4	0	0	0	111.8	L233 T238 F366 F377 F395 Y451 I452 K457 M458 Y459	L233-L455 HydrophobicContact CD1-CD2 4.25Å; T238-L455 HydrophobicContact CG2-CD1 4.22Å; T238-L455 HydrophobicContact CG2-CD2 4.04Å; F366-L455 HydrophobicContact CE1-CD1 4.17Å; F366-L455 HydrophobicContact CZ-CD1 4.32Å; F377-L455 HydrophobicContact CE1-CD1 3.89Å; F377-L455 HydrophobicContact CZ-CD1 3.99Å; F395-L455 HydrophobicContact CE1-CD2 3.95Å; F395-L455 HydrophobicContact CZ-CD2 3.69Å; F395-L455 HydrophobicContact CZ-CG 4.44Å; Y451-L455 HydrophobicContact CE1-CD2 4.29Å; Y451-L455 HydrophobicContact CE2-CB 4.27Å; Y451-L455 VanDerWaalsContact O-CB 3.28Å; Y451-L455 WeakPolarHBondContact O-CB 3.47Å; Y451-L455 PolarHBondContact O-N 3.4Å; I452-L455 PolarHBondContact O-N 3.21Å; L455-K457 VanDerWaalsContact C-N 3.34Å; L455-K457 PolarHBondContact O-N 2.99Å; L455-M458 CarbonylContact O-C 3.49Å; L455-M458 WeakPolarHBondContact O-CB 3.44Å; L455-M458 PolarHBondContact O-N 3.45Å; L455-M458 VanDerWaalsContact O-N 3.11Å; L455-Y459 HydrophobicContact CD1-CE1 4.01Å; L455-Y459 HydrophobicContact CD1-CE2 4.15Å; L455-Y459 HydrophobicContact CD2-CE2 4.42Å; L455-Y459 HydrophobicContact CG-CD2 4.43Å; L455-Y459 HydrophobicContact CG-CE2 4.01Å; L455-Y459 PolarHBondContact O-N 3.41Å
456	L	98.8	Very high	98.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.3	-36.6	177.5	-70.4	175.4	0	0	0	112.1	L231 F395 I452 T454 M458 Y459 G460 F461 W467 I470 F472	L231-L456 HydrophobicContact CD1-CD2 3.83Å; F395-L456 HydrophobicContact CE1-CD2 3.98Å; F395-L456 HydrophobicContact CE1-CG 4.09Å; F395-L456 HydrophobicContact CZ-CD2 4.33Å; I452-L456 HydrophobicContact CG2-CD1 3.83Å; I452-L456 HydrophobicContact CG2-CG 4.4Å; I452-L456 WeakPolarHBondContact O-CB 3.41Å; I452-L456 WeakPolarHBondContact O-CG 3.31Å; I452-L456 PolarHBondContact O-N 3.05Å; T454-L456 PolarHBondContact O-N 3Å; L456-M458 VanDerWaalsContact C-N 3.33Å; L456-M458 PolarHBondContact O-N 3.36Å; L456-Y459 HydrophobicContact CD2-CD2 4.3Å; L456-Y459 PolarHBondContact O-N 2.9Å; L456-G460 PolarHBondContact O-N 3.1Å; L456-F461 HydrophobicContact CB-CB 4.24Å; L456-F461 HydrophobicContact CB-CD2 4.32Å; L456-F461 HydrophobicContact CD2-CD2 3.96Å; L456-F461 HydrophobicContact CD2-CE2 4.3Å; L456-F461 WeakPolarHBondContact O-CB 3.37Å; L456-F461 WeakPolarHBondContact O-CD2 3.41Å; L456-F461 PolarHBondContact O-N 2.95Å; L456-W467 HydrophobicContact CB-CH2 4.49Å; L456-W467 HydrophobicContact CB-CZ2 3.85Å; L456-W467 HydrophobicContact CD1-CH2 3.54Å; L456-W467 HydrophobicContact CD1-CZ2 3.69Å; L456-W467 HydrophobicContact CD1-CZ3 4.05Å; L456-W467 HydrophobicContact CG-CZ2 4.42Å; L456-I470 HydrophobicContact CD1-CD1 4.16Å; L456-I470 HydrophobicContact CD2-CD1 4.35Å; L456-F472 HydrophobicContact CD1-CE1 4.07Å; L456-F472 HydrophobicContact CD1-CZ 3.72Å
457	K	98.5	Very high	98.5	Very high	89 Å²	89	25.1 Å²	25.1	39%	0.387	14%	0.142	S	C	.	.	H	α-helix	trans	-60.7	-42.6	170.1	-75.4	176.1	177.5	179.7	0	111.7	I453 T454 L455 Y459 G460 T462	I453-K457 HydrophobicContact CG2-CD 4.34Å; I453-K457 WeakPolarHBondContact O-CG 3.43Å; I453-K457 PolarHBondContact O-N 3.23Å; I453-K457 VanDerWaalsContact O-N 3.09Å; T454-K457 WeakPolarHBondContact O-CB 3.22Å; T454-K457 PolarHBondContact O-N 2.83Å; L455-K457 VanDerWaalsContact C-N 3.34Å; L455-K457 PolarHBondContact O-N 2.99Å; K457-Y459 VanDerWaalsContact C-N 3.26Å; K457-Y459 PolarHBondContact O-N 3.47Å; K457-G460 WeakPolarHBondContact O-CA 3.44Å; K457-G460 PolarHBondContact O-N 3.39Å; K457-T462 HydrophobicContact CB-CG2 4.47Å
458	M	98.1	Very high	98.5	Very high	31 Å²	31	30 Å²	30	15%	0.153	16%	0.163	C	C	.	.	H	α-helix	trans	-67.4	-26.4	177.5	-64.4	-70.1	-177.5	0	0	112.6	L363 F366 T368 S376 F377 T454 L455 L456 G460	L363-M458 HydrophobicContact CD2-CE 3.46Å; L363-M458 VanDerWaalsContact CD2-CE 3.46Å; F366-M458 HydrophobicContact CB-CE 3.69Å; F366-M458 HydrophobicContact CB-SD 4.28Å; F366-M458 HydrophobicContact CD1-CB 4.2Å; F366-M458 HydrophobicContact CD1-CE 4.23Å; F366-M458 HydrophobicContact CD1-CG 3.63Å; F366-M458 HydrophobicContact CD1-SD 4.12Å; F366-M458 HydrophobicContact CD2-CE 4.32Å; F366-M458 HydrophobicContact CE1-CB 4.08Å; F366-M458 HydrophobicContact CE1-CG 3.75Å; F366-M458 HydrophobicContact CG-CE 3.85Å; F366-M458 HydrophobicContact CG-CG 4.17Å; F366-M458 HydrophobicContact CG-SD 4.32Å; F366-M458 HydrophobicContact CZ-CG 4.36Å; T368-M458 HydrophobicContact CG2-CE 4.36Å; T368-M458 HydrophobicContact CG2-SD 4.3Å; S376-M458 CarbonylContact C-O 3.6Å; S376-M458 WeakPolarHBondContact CA-O 3.47Å; S376-M458 VanDerWaalsContact CB-O 3.24Å; S376-M458 WeakPolarHBondContact CB-O 3.38Å; F377-M458 HydrophobicContact CD1-CB 3.61Å; F377-M458 HydrophobicContact CE1-CB 4.11Å; F377-M458 HydrophobicContact CG-CB 4.38Å; T454-M458 HydrophobicContact CG2-CE 4.21Å; T454-M458 HydrophobicContact CG2-CG 4.34Å; T454-M458 VanDerWaalsContact O-CG 3.22Å; T454-M458 WeakPolarHBondContact O-CG 3.42Å; T454-M458 PolarHBondContact O-N 3.08Å; L455-M458 CarbonylContact O-C 3.49Å; L455-M458 WeakPolarHBondContact O-CB 3.44Å; L455-M458 PolarHBondContact O-N 3.45Å; L455-M458 VanDerWaalsContact O-N 3.11Å; L456-M458 VanDerWaalsContact C-N 3.33Å; L456-M458 PolarHBondContact O-N 3.36Å; M458-G460 VanDerWaalsContact C-N 3.27Å
459	Y	98.3	Very high	98.4	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-6.9	167.7	-69.9	-20.7	0	0	0	114	L231 T238 I240 F274 F377 Q382 P385 F395 L455 L456 K457	L231-Y459 HydrophobicContact CD2-CD2 3.96Å; L231-Y459 HydrophobicContact CD2-CE2 4.11Å; T238-Y459 WeakPolarHBondContact CG2-OH 3.38Å; T238-Y459 PolarHBondContact OG1-OH 3.29Å; I240-Y459 HydrophobicContact CB-CD2 4.43Å; I240-Y459 HydrophobicContact CB-CE2 4.18Å; I240-Y459 HydrophobicContact CD1-CD1 4.5Å; I240-Y459 HydrophobicContact CD1-CD2 4.15Å; I240-Y459 HydrophobicContact CD1-CG 4.02Å; I240-Y459 HydrophobicContact CG2-CD1 4.35Å; I240-Y459 HydrophobicContact CG2-CE1 4.06Å; F274-Y459 AromaticContact CD2-CE1 3.8Å; F274-Y459 HydrophobicContact CD2-CE1 3.8Å; F274-Y459 WeakPolarHBondContact CD2-OH 3.49Å; F274-Y459 HydrophobicContact CE2-CD1 4.37Å; F274-Y459 AromaticContact CE2-CE1 3.41Å; F274-Y459 HydrophobicContact CE2-CE1 3.41Å; F274-Y459 VanDerWaalsContact CE2-CE1 3.41Å; F274-Y459 HydrophobicContact CZ-CE1 4.09Å; F377-Y459 AromaticContact CE1-CD1 3.96Å; F377-Y459 HydrophobicContact CE1-CD1 3.96Å; F377-Y459 AromaticContact CE1-CE1 3.6Å; F377-Y459 HydrophobicContact CE1-CE1 3.6Å; F377-Y459 HydrophobicContact CZ-CE1 4.27Å; Q382-Y459 PolarHBondContact NE2-O 3.05Å; P385-Y459 WeakPolarHBondContact CD-O 3.48Å; P385-Y459 WeakPolarHBondContact CG-O 3Å; F395-Y459 HydrophobicContact CZ-CE2 4.38Å; L455-Y459 HydrophobicContact CD1-CE1 4.01Å; L455-Y459 HydrophobicContact CD1-CE2 4.15Å; L455-Y459 HydrophobicContact CD2-CE2 4.42Å; L455-Y459 HydrophobicContact CG-CD2 4.43Å; L455-Y459 HydrophobicContact CG-CE2 4.01Å; L455-Y459 PolarHBondContact O-N 3.41Å; L456-Y459 HydrophobicContact CD2-CD2 4.3Å; L456-Y459 PolarHBondContact O-N 2.9Å; K457-Y459 VanDerWaalsContact C-N 3.26Å; K457-Y459 PolarHBondContact O-N 3.47Å
460	G	97.8	Very high	98.4	Very high	36 Å²	36	31.9 Å²	31.9	37%	0.371	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	100	5.4	178.9	0	0	0	0	0	115.2	L456 K457 M458 T462	L456-G460 PolarHBondContact O-N 3.1Å; K457-G460 WeakPolarHBondContact O-CA 3.44Å; K457-G460 PolarHBondContact O-N 3.39Å; M458-G460 VanDerWaalsContact C-N 3.27Å; G460-T462 VanDerWaalsContact C-N 3.28Å; G460-T462 PolarHBondContact O-N 3.44Å
461	F	98.3	Very high	98.4	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.013	18%	0.184	C	C	.	.			trans	-82.7	73.4	171.2	-58.1	-82.8	0	0	0	110.2	L231 I240 P385 F389 L456 S466 W467 I470	L231-F461 HydrophobicContact CD1-CE2 4.07Å; L231-F461 HydrophobicContact CD1-CZ 4.22Å; L231-F461 HydrophobicContact CD2-CE2 4.3Å; I240-F461 HydrophobicContact CD1-CE2 4.44Å; P385-F461 HydrophobicContact CB-CE1 3.86Å; P385-F461 HydrophobicContact CB-CE2 4.24Å; P385-F461 HydrophobicContact CB-CZ 3.66Å; P385-F461 HydrophobicContact CG-CE1 4.49Å; P385-F461 HydrophobicContact CG-CE2 4.15Å; P385-F461 HydrophobicContact CG-CZ 4.09Å; F389-F461 HydrophobicContact CB-CZ 4.44Å; F389-F461 AromaticContact CD1-CZ 3.94Å; F389-F461 HydrophobicContact CD1-CZ 3.94Å; F389-F461 AromaticContact CD2-CE1 3.71Å; F389-F461 HydrophobicContact CD2-CE1 3.71Å; F389-F461 AromaticContact CD2-CZ 3.62Å; F389-F461 HydrophobicContact CD2-CZ 3.62Å; F389-F461 HydrophobicContact CE1-CZ 4.04Å; F389-F461 AromaticContact CE2-CE1 3.95Å; F389-F461 HydrophobicContact CE2-CE1 3.95Å; F389-F461 AromaticContact CE2-CZ 3.75Å; F389-F461 HydrophobicContact CE2-CZ 3.75Å; F389-F461 HydrophobicContact CG-CE1 4.17Å; F389-F461 AromaticContact CG-CZ 3.73Å; F389-F461 HydrophobicContact CG-CZ 3.73Å; F389-F461 AromaticContact CZ-CZ 3.96Å; F389-F461 HydrophobicContact CZ-CZ 3.96Å; L456-F461 HydrophobicContact CB-CB 4.24Å; L456-F461 HydrophobicContact CB-CD2 4.32Å; L456-F461 HydrophobicContact CD2-CD2 3.96Å; L456-F461 HydrophobicContact CD2-CE2 4.3Å; L456-F461 WeakPolarHBondContact O-CB 3.37Å; L456-F461 WeakPolarHBondContact O-CD2 3.41Å; L456-F461 PolarHBondContact O-N 2.95Å; F461-S466 WeakPolarHBondContact CA-OG 3.36Å; F461-W467 PolarHBondContact O-NE1 2.78Å; F461-I470 HydrophobicContact CB-CD1 4.26Å; F461-I470 HydrophobicContact CD1-CD1 3.69Å; F461-I470 HydrophobicContact CD1-CG1 4.08Å; F461-I470 HydrophobicContact CD2-CD1 4.28Å; F461-I470 HydrophobicContact CE1-CD1 4.04Å; F461-I470 HydrophobicContact CE1-CG1 4.05Å; F461-I470 HydrophobicContact CG-CD1 3.83Å; F461-I470 HydrophobicContact CZ-CD1 4.48Å
462	T	97.8	Very high	98.3	Very high	88 Å²	88	33.8 Å²	33.8	54%	0.54	19%	0.186	S	C	.	.			trans	-100.9	-5.3	-170.7	56.1	0	0	0	0	114.5	L412 K457 G460 S466	L412-T462 WeakPolarHBondContact CD2-O 3.25Å; K457-T462 HydrophobicContact CB-CG2 4.47Å; G460-T462 VanDerWaalsContact C-N 3.28Å; G460-T462 PolarHBondContact O-N 3.44Å; T462-S466 PolarHBondContact N-OG 2.84Å
463	T	98.4	Very high	98.1	Very high	65 Å²	65	36 Å²	36	40%	0.399	20%	0.198	S	C	.	.	S	Bend	trans	-123.8	157.3	-177.4	68.7	0	0	0	0	112.6	E465 S466 W467	T463-E465 PolarHBondContact O-N 3Å; T463-S466 PolarHBondContact N-OG 3.28Å; T463-S466 VanDerWaalsContact N-OG 3.17Å; T463-S466 PolarHBondContact O-N 3.07Å; T463-S466 VanDerWaalsContact O-N 3.15Å; T463-S466 PolarHBondContact O-OG 3.4Å; T463-S466 WeakPolarHBondContact OG1-CB 3.19Å; T463-S466 PolarHBondContact OG1-N 3.07Å; T463-S466 VanDerWaalsContact OG1-N 3.1Å; T463-S466 PolarHBondContact OG1-OG 3.48Å; T463-W467 PolarHBondContact O-N 3.41Å; T463-W467 VanDerWaalsContact O-N 3.12Å
464	D	98.6	Very high	97.4	Very high	45 Å²	45	37.1 Å²	37.1	24%	0.241	21%	0.206	C	C	.	.	H	α-helix	trans	-59.1	-36.7	174.3	-78	-15.8	0	0	0	111.9	T411 L412 T413 W467 K468	T411-D464 WeakPolarHBondContact CB-OD1 3.44Å; T411-D464 HydrophobicContact CG2-CB 4.24Å; L412-D464 WeakPolarHBondContact CA-OD1 3.46Å; L412-D464 WeakPolarHBondContact CB-OD1 3.47Å; L412-D464 PolarHBondContact N-OD1 2.93Å; T413-D464 PolarHBondContact N-OD1 3.24Å; T413-D464 PolarHBondContact OG1-OD1 3.11Å; T413-D464 VanDerWaalsContact OG1-OD1 3.11Å; T413-D464 PolarHBondContact OG1-OD2 2.83Å; D464-W467 PolarHBondContact O-N 3.22Å; D464-K468 WeakPolarHBondContact O-CG 3.49Å; D464-K468 PolarHBondContact O-N 2.64Å; D464-K468 VanDerWaalsContact O-N 3.13Å
465	E	98.3	Very high	96.8	Very high	119 Å²	119	42.1 Å²	42.1	56%	0.556	23%	0.227	S	C	*	.	H	α-helix	trans	-63.2	-42.3	175.9	-70.5	60.1	-130.4	0	0	111.7	T463 W467 K468	T463-E465 PolarHBondContact O-N 3Å; E465-W467 VanDerWaalsContact C-N 3.34Å; E465-K468 PolarHBondContact O-N 3.3Å; E465-K468 IonicContact OE1-NZ 2.73Å
466	S	98	Very high	95.9	Very high	24 Å²	24	42.9 Å²	42.9	17%	0.168	23%	0.231	C	C	.	.	H	α-helix	trans	-65.8	-38.2	177.7	71.6	0	0	0	0	111.6	F461 T462 T463 K468 T469	F461-S466 WeakPolarHBondContact CA-OG 3.36Å; T462-S466 PolarHBondContact N-OG 2.84Å; T463-S466 PolarHBondContact N-OG 3.28Å; T463-S466 VanDerWaalsContact N-OG 3.17Å; T463-S466 PolarHBondContact O-N 3.07Å; T463-S466 VanDerWaalsContact O-N 3.15Å; T463-S466 PolarHBondContact O-OG 3.4Å; T463-S466 WeakPolarHBondContact OG1-CB 3.19Å; T463-S466 PolarHBondContact OG1-N 3.07Å; T463-S466 VanDerWaalsContact OG1-N 3.1Å; T463-S466 PolarHBondContact OG1-OG 3.48Å; S466-K468 VanDerWaalsContact C-N 3.34Å; S466-K468 PolarHBondContact O-N 3.43Å; S466-T469 WeakPolarHBondContact O-CB 3.2Å; S466-T469 PolarHBondContact O-N 2.94Å; S466-T469 PolarHBondContact O-OG1 3.47Å
467	W	98.4	Very high	94.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-68.3	-31	178.3	-85.3	64.7	0	0	0	113.3	F410 L412 V415 I453 L456 F461 T463 D464 E465 T469 I470 F472	F410-W467 HydrophobicContact CB-CE3 4.41Å; F410-W467 CarbonylContact O-C 3.59Å; F410-W467 WeakPolarHBondContact O-CB 3.04Å; L412-W467 HydrophobicContact CB-CD2 4.09Å; L412-W467 HydrophobicContact CB-CG 3.83Å; L412-W467 HydrophobicContact CD1-CD2 4.43Å; L412-W467 HydrophobicContact CD1-CH2 4.49Å; L412-W467 HydrophobicContact CD1-CZ2 3.66Å; V415-W467 HydrophobicContact CB-CE3 4.4Å; V415-W467 HydrophobicContact CB-CH2 4.5Å; V415-W467 HydrophobicContact CB-CZ3 3.9Å; V415-W467 HydrophobicContact CG1-CH2 4.13Å; V415-W467 HydrophobicContact CG1-CZ3 3.78Å; V415-W467 HydrophobicContact CG2-CE3 4.14Å; V415-W467 HydrophobicContact CG2-CZ3 3.9Å; I453-W467 HydrophobicContact CG1-CH2 4.02Å; L456-W467 HydrophobicContact CB-CH2 4.49Å; L456-W467 HydrophobicContact CB-CZ2 3.85Å; L456-W467 HydrophobicContact CD1-CH2 3.54Å; L456-W467 HydrophobicContact CD1-CZ2 3.69Å; L456-W467 HydrophobicContact CD1-CZ3 4.05Å; L456-W467 HydrophobicContact CG-CZ2 4.42Å; F461-W467 PolarHBondContact O-NE1 2.78Å; T463-W467 PolarHBondContact O-N 3.41Å; T463-W467 VanDerWaalsContact O-N 3.12Å; D464-W467 PolarHBondContact O-N 3.22Å; E465-W467 VanDerWaalsContact C-N 3.34Å; W467-T469 PolarHBondContact O-N 2.94Å; W467-T469 VanDerWaalsContact O-N 3.07Å; W467-I470 PolarHBondContact O-N 3.2Å; W467-F472 HydrophobicContact CE3-CE2 4.38Å; W467-F472 HydrophobicContact CE3-CZ 4.34Å; W467-F472 HydrophobicContact CZ3-CE2 4.29Å; W467-F472 AromaticContact CZ3-CZ 3.91Å; W467-F472 HydrophobicContact CZ3-CZ 3.91Å
468	K	98.4	Very high	94	Very high	104 Å²	104	48 Å²	48	45%	0.452	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.8	175.9	-73.5	169.4	-173.3	164.1	0	112.5	F410 T411 D464 E465 S466 I470	F410-K468 WeakPolarHBondContact O-CA 3.41Å; F410-K468 WeakPolarHBondContact O-CG 3.45Å; F410-K468 PolarHBondContact O-N 3.28Å; T411-K468 HydrophobicContact CG2-CG 4.35Å; D464-K468 WeakPolarHBondContact O-CG 3.49Å; D464-K468 PolarHBondContact O-N 2.64Å; D464-K468 VanDerWaalsContact O-N 3.13Å; E465-K468 PolarHBondContact O-N 3.3Å; E465-K468 IonicContact OE1-NZ 2.73Å; S466-K468 VanDerWaalsContact C-N 3.34Å; S466-K468 PolarHBondContact O-N 3.43Å; K468-I470 VanDerWaalsContact C-N 3.35Å
469	T	97.8	Very high	93.3	Very high	42 Å²	42	50.4 Å²	50.4	26%	0.258	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-11.1	178.5	76.6	0	0	0	0	113.6	G387 K388 F389 S466 W467	G387-T469 WeakPolarHBondContact O-CB 2.98Å; G387-T469 PolarHBondContact O-OG1 2.9Å; K388-T469 WeakPolarHBondContact CA-O 3.41Å; F389-T469 PolarHBondContact N-O 3.26Å; S466-T469 WeakPolarHBondContact O-CB 3.2Å; S466-T469 PolarHBondContact O-N 2.94Å; S466-T469 PolarHBondContact O-OG1 3.47Å; W467-T469 PolarHBondContact O-N 2.94Å; W467-T469 VanDerWaalsContact O-N 3.07Å
470	I	98.5	Very high	92.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	128.4	-176	-48.9	175	0	0	0	110.1	L231 F389 A391 L456 F461 W467 K468 F472	L231-I470 HydrophobicContact CD1-CG2 4.35Å; F389-I470 HydrophobicContact CB-CG1 4.42Å; F389-I470 CarbonylContact O-C 3.5Å; F389-I470 WeakPolarHBondContact O-CA 3.3Å; A391-I470 HydrophobicContact CB-CG2 3.78Å; L456-I470 HydrophobicContact CD1-CD1 4.16Å; L456-I470 HydrophobicContact CD2-CD1 4.35Å; F461-I470 HydrophobicContact CB-CD1 4.26Å; F461-I470 HydrophobicContact CD1-CD1 3.69Å; F461-I470 HydrophobicContact CD1-CG1 4.08Å; F461-I470 HydrophobicContact CD2-CD1 4.28Å; F461-I470 HydrophobicContact CE1-CD1 4.04Å; F461-I470 HydrophobicContact CE1-CG1 4.05Å; F461-I470 HydrophobicContact CG-CD1 3.83Å; F461-I470 HydrophobicContact CZ-CD1 4.48Å; W467-I470 PolarHBondContact O-N 3.2Å; K468-I470 VanDerWaalsContact C-N 3.35Å; I470-F472 HydrophobicContact CB-CD2 4.49Å; I470-F472 HydrophobicContact CB-CE2 3.9Å; I470-F472 HydrophobicContact CB-CZ 4.38Å; I470-F472 HydrophobicContact CG2-CD2 3.91Å; I470-F472 HydrophobicContact CG2-CE1 4.26Å; I470-F472 HydrophobicContact CG2-CE2 3.49Å; I470-F472 VanDerWaalsContact CG2-CE2 3.49Å; I470-F472 HydrophobicContact CG2-CG 4.46Å; I470-F472 HydrophobicContact CG2-CZ 3.7Å
471	T	97.8	Very high	92.4	Very high	36 Å²	36	52.2 Å²	52.2	22%	0.221	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.4	168.8	-58.5	0	0	0	0	109	F389 M390 A391 N407 T408	F389-T471 PolarHBondContact O-N 3Å; M390-T471 CarbonylContact C-O 3.6Å; M390-T471 HydrophobicContact SD-CG2 3.93Å; A391-T471 PolarHBondContact N-O 3.21Å; N407-T471 CarbonylContact O-C 3.49Å; N407-T471 WeakPolarHBondContact O-CA 3.22Å; T408-T471 PolarHBondContact OG1-OG1 2.94Å
472	F	97.5	Very high	92	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.035	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	103.2	179.3	-67.6	-94.9	0	0	0	110.3	A391 F395 M399 N407 F410 I452 L456 W467 I470	A391-F472 HydrophobicContact CB-CD1 3.68Å; A391-F472 HydrophobicContact CB-CE1 3.86Å; A391-F472 HydrophobicContact CB-CG 4.27Å; A391-F472 CarbonylContact O-C 3.56Å; A391-F472 VanDerWaalsContact O-CA 3.31Å; A391-F472 WeakPolarHBondContact O-CA 3.28Å; F395-F472 HydrophobicContact CB-CD1 4.03Å; F395-F472 HydrophobicContact CB-CE1 4.21Å; F395-F472 HydrophobicContact CD1-CE1 4.46Å; F395-F472 WeakPolarHBondContact O-CD1 3.39Å; M399-F472 HydrophobicContact CB-CB 3.99Å; M399-F472 HydrophobicContact CB-CD1 4.45Å; M399-F472 HydrophobicContact CB-CG 4.21Å; M399-F472 HydrophobicContact CE-CE1 4.22Å; M399-F472 HydrophobicContact CE-CZ 4.42Å; M399-F472 HydrophobicContact CG-CB 4Å; M399-F472 HydrophobicContact CG-CD1 3.57Å; M399-F472 HydrophobicContact CG-CD2 4.21Å; M399-F472 HydrophobicContact CG-CE1 4Å; M399-F472 HydrophobicContact CG-CG 3.67Å; M399-F472 HydrophobicContact CG-CZ 4.47Å; N407-F472 WeakPolarHBondContact CB-O 3.38Å; N407-F472 PolarHBondContact O-N 3.23Å; F410-F472 AromaticContact CD2-CD2 3.56Å; F410-F472 HydrophobicContact CD2-CD2 3.56Å; F410-F472 AromaticContact CD2-CE2 3.97Å; F410-F472 HydrophobicContact CD2-CE2 3.97Å; F410-F472 HydrophobicContact CE2-CB 4.39Å; F410-F472 AromaticContact CE2-CD2 3.77Å; F410-F472 HydrophobicContact CE2-CD2 3.77Å; F410-F472 HydrophobicContact CE2-CG 4.48Å; F410-F472 HydrophobicContact CG-CD2 4.45Å; F410-F472 HydrophobicContact CG-CE2 4.48Å; I452-F472 HydrophobicContact CG2-CE1 4.38Å; L456-F472 HydrophobicContact CD1-CE1 4.07Å; L456-F472 HydrophobicContact CD1-CZ 3.72Å; W467-F472 HydrophobicContact CE3-CE2 4.38Å; W467-F472 HydrophobicContact CE3-CZ 4.34Å; W467-F472 HydrophobicContact CZ3-CE2 4.29Å; W467-F472 AromaticContact CZ3-CZ 3.91Å; W467-F472 HydrophobicContact CZ3-CZ 3.91Å; I470-F472 HydrophobicContact CB-CD2 4.49Å; I470-F472 HydrophobicContact CB-CE2 3.9Å; I470-F472 HydrophobicContact CB-CZ 4.38Å; I470-F472 HydrophobicContact CG2-CD2 3.91Å; I470-F472 HydrophobicContact CG2-CE1 4.26Å; I470-F472 HydrophobicContact CG2-CE2 3.49Å; I470-F472 VanDerWaalsContact CG2-CE2 3.49Å; I470-F472 HydrophobicContact CG2-CG 4.46Å; I470-F472 HydrophobicContact CG2-CZ 3.7Å
473	D	93.6	Very high	91.9	Very high	49 Å²	49	48.6 Å²	48.6	26%	0.262	27%	0.272	S	S	.	.			trans	-153.6	152.7	177.2	-148.4	-37.2	0	0	0	111.3	M390 A391 Y392 N407 K475	M390-D473 HydrophobicContact CE-CB 3.48Å; M390-D473 VanDerWaalsContact CE-CB 3.48Å; M390-D473 WeakPolarHBondContact CE-O 3.37Å; A391-D473 PolarHBondContact O-N 3.46Å; Y392-D473 VanDerWaalsContact CA-O 3.27Å; Y392-D473 WeakPolarHBondContact CA-O 3.48Å; Y392-D473 WeakPolarHBondContact CB-O 3.34Å; N407-D473 PolarHBondContact ND2-OD2 2.91Å; D473-K475 VanDerWaalsContact CG-O 3.28Å; D473-K475 PolarHBondContact OD1-N 3.23Å; D473-K475 VanDerWaalsContact OD1-N 3.17Å
474	S	84.9	Confident	91.8	Very high	30 Å²	30	45.5 Å²	45.5	21%	0.21	25%	0.253	C	S	.	.	S	Bend	trans	-90.9	-13.4	172.7	-72.4	0	0	0	0	112.7	S396 V481	S396-S474 PolarHBondContact OG-OG 3.41Å; S474-V481 PolarHBondContact O-N 2.92Å
475	K	86.4	Confident	91.7	Very high	114 Å²	114	43.8 Å²	43.8	50%	0.496	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.6	-176.9	-64.5	-174.9	176.8	-170.1	0	111.2	D473 K479	D473-K475 VanDerWaalsContact CG-O 3.28Å; D473-K475 PolarHBondContact OD1-N 3.23Å; D473-K475 VanDerWaalsContact OD1-N 3.17Å; K475-K479 CarbonylContact C-O 3.6Å; K475-K479 VanDerWaalsContact CA-O 3.24Å; K475-K479 WeakPolarHBondContact CA-O 3.46Å
476	V	79.3	Confident	91.6	Very high	16 Å²	16	38.1 Å²	38.1	10%	0.097	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.5	168.7	-179.9	0	0	0	0	106.9	I212 L213 M390 G478 K479 V481	I212-V476 HydrophobicContact CB-CB 4.41Å; I212-V476 HydrophobicContact CG2-CB 3.55Å; I212-V476 HydrophobicContact CG2-CG1 3.69Å; I212-V476 WeakPolarHBondContact CG2-O 3.3Å; L213-V476 HydrophobicContact CD2-CG1 3.57Å; L213-V476 HydrophobicContact CG-CG1 4.15Å; M390-V476 HydrophobicContact CE-CG2 3.33Å; M390-V476 HydrophobicContact SD-CG2 4.07Å; V476-G478 PolarHBondContact O-N 3.46Å; V476-G478 VanDerWaalsContact O-N 3.17Å; V476-K479 PolarHBondContact N-O 3.49Å; V476-K479 PolarHBondContact O-N 2.89Å; V476-V481 HydrophobicContact CG2-CG2 4.02Å
477	N	76	Confident	91.5	Very high	138 Å²	138	37.2 Å²	37.2	74%	0.738	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	37.4	-176.3	-60	-29.4	0	0	0	113.5	I212 K479	I212-N477 PolarHBondContact O-ND2 3.11Å; N477-K479 PolarHBondContact O-N 3.22Å; N477-K479 VanDerWaalsContact O-N 3.16Å
478	G	80.9	Confident	91.4	Very high	60 Å²	60	37.2 Å²	37.2	62%	0.619	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	-13.1	-177	0	0	0	0	0	115.4	V476	V476-G478 PolarHBondContact O-N 3.46Å; V476-G478 VanDerWaalsContact O-N 3.17Å
479	K	84.9	Confident	91.3	Very high	80 Å²	80	32.3 Å²	32.3	35%	0.348	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.5	177.4	-61.9	-174.3	173.4	-169.7	0	110.4	D103 I212 K475 V476 N477	D103-K479 IonicContact OD1-NZ 3.68Å; D103-K479 PolarHBondContact OD1-NZ 2.86Å; I212-K479 HydrophobicContact CD1-CB 4.26Å; I212-K479 HydrophobicContact CG1-CB 4.39Å; I212-K479 HydrophobicContact CG2-CB 4.03Å; I212-K479 HydrophobicContact CG2-CD 4.39Å; K475-K479 CarbonylContact C-O 3.6Å; K475-K479 VanDerWaalsContact CA-O 3.24Å; K475-K479 WeakPolarHBondContact CA-O 3.46Å; V476-K479 PolarHBondContact N-O 3.49Å; V476-K479 PolarHBondContact O-N 2.89Å; N477-K479 PolarHBondContact O-N 3.22Å; N477-K479 VanDerWaalsContact O-N 3.16Å
480	S	86	Confident	91.2	Very high	66 Å²	66	31 Å²	31	46%	0.462	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	135.3	175.3	-80	0	0	0	0	111.1
481	V	90.2	Very high	91	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.055	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-81.7	125	174.8	-174.5	0	0	0	0	108.7	V209 I212 M390 Y392 S474 V476	V209-V481 HydrophobicContact CG2-CG1 3.62Å; I212-V481 HydrophobicContact CD1-CG2 4.09Å; M390-V481 HydrophobicContact CE-CG2 4.48Å; Y392-V481 HydrophobicContact CD1-CB 4.29Å; Y392-V481 HydrophobicContact CD1-CG1 3.78Å; Y392-V481 HydrophobicContact CD2-CB 4.11Å; Y392-V481 HydrophobicContact CD2-CG1 3.99Å; Y392-V481 HydrophobicContact CE1-CG1 3.67Å; Y392-V481 HydrophobicContact CE2-CB 4.45Å; Y392-V481 HydrophobicContact CE2-CG1 3.89Å; Y392-V481 HydrophobicContact CG-CB 4.03Å; Y392-V481 HydrophobicContact CG-CG1 3.94Å; S474-V481 PolarHBondContact O-N 2.92Å; V476-V481 HydrophobicContact CG2-CG2 4.02Å
482	S	91.1	Very high	90.9	Very high	12 Å²	12	30.9 Å²	30.9	8%	0.084	18%	0.177	C	C	.	.			trans	-160.1	153.6	172.6	67	0	0	0	0	109.3	S208 A484 L485	S208-S482 WeakPolarHBondContact CB-O 3.25Å; S208-S482 PolarHBondContact OG-O 2.76Å; S482-A484 PolarHBondContact O-N 2.85Å; S482-A484 VanDerWaalsContact O-N 3.11Å; S482-L485 PolarHBondContact O-N 3Å
483	W	95.3	Very high	90.7	Very high	4 Å²	4	32 Å²	32	2%	0.015	19%	0.191	C	C	.	.	H	α-helix	trans	-56.8	-28.1	179.7	72.6	-98.3	0	0	0	113.3	V76 D78 A152 T154 L196 E201 Y204 L485 G486 Y487	V76-W483 HydrophobicContact CG1-CH2 4.17Å; V76-W483 HydrophobicContact CG1-CZ3 4.29Å; D78-W483 HydrophobicContact CB-CZ2 3.79Å; D78-W483 VanDerWaalsContact CG-NE1 3.26Å; D78-W483 WeakPolarHBondContact OD1-CZ2 3.23Å; D78-W483 PolarHBondContact OD1-NE1 3.35Å; A152-W483 HydrophobicContact CB-CH2 3.22Å; A152-W483 HydrophobicContact CB-CZ2 3.84Å; A152-W483 HydrophobicContact CB-CZ3 3.85Å; A152-W483 WeakPolarHBondContact O-CZ2 3.4Å; T154-W483 HydrophobicContact CG2-CZ2 4.19Å; T154-W483 VanDerWaalsContact CG2-NE1 3.34Å; L196-W483 HydrophobicContact CD2-CD2 3.68Å; L196-W483 HydrophobicContact CD2-CE3 3.72Å; L196-W483 HydrophobicContact CD2-CG 4.23Å; L196-W483 HydrophobicContact CD2-CH2 4.31Å; L196-W483 HydrophobicContact CD2-CZ2 4.17Å; L196-W483 HydrophobicContact CD2-CZ3 4.07Å; E201-W483 HydrophobicContact CG-CB 4.43Å; E201-W483 HydrophobicContact CG-CG 4.24Å; Y204-W483 WeakPolarHBondContact CB-O 2.99Å; W483-L485 VanDerWaalsContact C-N 3.33Å; W483-L485 PolarHBondContact O-N 3.31Å; W483-G486 PolarHBondContact O-N 3.14Å; W483-G486 VanDerWaalsContact O-N 3.15Å; W483-Y487 HydrophobicContact CE3-CG 4.18Å; W483-Y487 HydrophobicContact CZ3-CD1 4.07Å; W483-Y487 HydrophobicContact CZ3-CD2 4.24Å; W483-Y487 AromaticContact CZ3-CG 3.72Å; W483-Y487 HydrophobicContact CZ3-CG 3.72Å; W483-Y487 WeakPolarHBondContact O-CB 3.45Å; W483-Y487 PolarHBondContact O-N 3.28Å
484	A	96	Very high	90.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.1	-40.9	-175.6	0	0	0	0	0	113.6	V76 D78 S482 M488	V76-A484 HydrophobicContact CG1-CB 3.88Å; D78-A484 HydrophobicContact CB-CB 4.42Å; S482-A484 PolarHBondContact O-N 2.85Å; S482-A484 VanDerWaalsContact O-N 3.11Å; A484-M488 PolarHBondContact O-N 3.33Å
485	L	95.7	Very high	90.6	Very high	9 Å²	9	35.6 Å²	35.6	5%	0.047	20%	0.203	C	C	.	.	H	α-helix	trans	-66.8	-45.5	178.1	176.6	62.1	0	0	0	111.1	Y89 V102 Y211 I212 S482 W483 Y487 M488 L489	Y89-L485 HydrophobicContact CD1-CD1 4.22Å; Y89-L485 HydrophobicContact CE1-CD1 3.78Å; Y89-L485 PolarHBondContact OH-N 3.32Å; V102-L485 HydrophobicContact CB-CD1 4.15Å; V102-L485 HydrophobicContact CG1-CD1 3.78Å; Y211-L485 HydrophobicContact CD1-CD1 4.46Å; Y211-L485 HydrophobicContact CD1-CD2 3.94Å; Y211-L485 HydrophobicContact CD1-CG 4.2Å; Y211-L485 HydrophobicContact CE1-CD1 4.29Å; Y211-L485 HydrophobicContact CE1-CD2 4.34Å; I212-L485 HydrophobicContact CD1-CD2 3.78Å; I212-L485 HydrophobicContact CG1-CD2 3.64Å; S482-L485 PolarHBondContact O-N 3Å; W483-L485 VanDerWaalsContact C-N 3.33Å; W483-L485 PolarHBondContact O-N 3.31Å; L485-Y487 VanDerWaalsContact C-N 3.35Å; L485-M488 PolarHBondContact O-N 3.14Å; L485-L489 WeakPolarHBondContact O-CB 3.32Å; L485-L489 PolarHBondContact O-N 3.13Å
486	G	96.6	Very high	90.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68	-36.2	-179.8	0	0	0	0	0	112.6	S208 W483 L489 D490	S208-G486 VanDerWaalsContact OG-CA 3.24Å; S208-G486 WeakPolarHBondContact OG-CA 3.41Å; S208-G486 PolarHBondContact OG-N 3.05Å; W483-G486 PolarHBondContact O-N 3.14Å; W483-G486 VanDerWaalsContact O-N 3.15Å; G486-L489 PolarHBondContact O-N 3.32Å; G486-D490 PolarHBondContact O-N 3.08Å
487	Y	97	Very high	90.9	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.02	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-49	169.6	177.7	-98.9	0	0	0	110.8	V76 Y150 Y204 W483 L485 L489 D490 Q491	V76-Y487 HydrophobicContact CG1-CD1 4.26Å; V76-Y487 HydrophobicContact CG2-CD1 4.34Å; Y150-Y487 AromaticContact CD1-CE1 3.66Å; Y150-Y487 HydrophobicContact CD1-CE1 3.66Å; Y150-Y487 AromaticContact CD1-CZ 3.89Å; Y150-Y487 WeakPolarHBondContact CD1-OH 3.47Å; Y150-Y487 HydrophobicContact CE1-CE1 4.32Å; Y150-Y487 AromaticContact CG-CE1 3.76Å; Y150-Y487 HydrophobicContact CG-CE1 3.76Å; Y204-Y487 AromaticContact CD2-CD2 3.84Å; Y204-Y487 HydrophobicContact CD2-CD2 3.84Å; Y204-Y487 HydrophobicContact CD2-CG 4.48Å; Y204-Y487 HydrophobicContact CE1-CD2 4.28Å; Y204-Y487 AromaticContact CE2-CD2 3.45Å; Y204-Y487 HydrophobicContact CE2-CD2 3.45Å; Y204-Y487 VanDerWaalsContact CE2-CD2 3.45Å; Y204-Y487 HydrophobicContact CE2-CE2 4.15Å; Y204-Y487 HydrophobicContact CE2-CG 4.46Å; Y204-Y487 HydrophobicContact CG-CD2 4.41Å; Y204-Y487 AromaticContact CZ-CD2 3.67Å; W483-Y487 HydrophobicContact CE3-CG 4.18Å; W483-Y487 HydrophobicContact CZ3-CD1 4.07Å; W483-Y487 HydrophobicContact CZ3-CD2 4.24Å; W483-Y487 AromaticContact CZ3-CG 3.72Å; W483-Y487 HydrophobicContact CZ3-CG 3.72Å; W483-Y487 WeakPolarHBondContact O-CB 3.45Å; W483-Y487 PolarHBondContact O-N 3.28Å; L485-Y487 VanDerWaalsContact C-N 3.35Å; Y487-L489 VanDerWaalsContact C-N 3.31Å; Y487-L489 PolarHBondContact O-N 3.25Å; Y487-D490 PolarHBondContact O-N 2.03Å; Y487-Q491 HydrophobicContact CD1-CG 3.93Å; Y487-Q491 HydrophobicContact CD2-CG 4.19Å; Y487-Q491 HydrophobicContact CE1-CG 3.51Å; Y487-Q491 HydrophobicContact CE2-CG 3.81Å; Y487-Q491 HydrophobicContact CG-CG 4.25Å; Y487-Q491 VanDerWaalsContact CZ-CG 3.45Å; Y487-Q491 WeakPolarHBondContact O-CB 2.97Å; Y487-Q491 VanDerWaalsContact O-CG 3.29Å; Y487-Q491 WeakPolarHBondContact O-CG 3.02Å; Y487-Q491 PolarHBondContact O-N 3.06Å
488	M	96.3	Very high	91.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-37.7	178.8	-166.7	62	-108.9	0	0	112.4	S74 V76 Y89 W91 V102 Y150 A484 L485 D490 Q491 S492 L495	S74-M488 WeakPolarHBondContact CB-SD 3.34Å; S74-M488 PolarHBondContact OG-SD 2.84Å; V76-M488 HydrophobicContact CG2-CB 4.12Å; V76-M488 HydrophobicContact CG2-CG 4.33Å; V76-M488 HydrophobicContact CG2-SD 3.76Å; Y89-M488 HydrophobicContact CD2-CB 3.76Å; Y89-M488 HydrophobicContact CD2-CG 3.68Å; Y89-M488 HydrophobicContact CE2-CB 4.06Å; Y89-M488 HydrophobicContact CE2-CG 4.48Å; Y89-M488 HydrophobicContact CG-CB 4.37Å; Y89-M488 HydrophobicContact CG-CG 4.02Å; W91-M488 HydrophobicContact CH2-CE 3.63Å; W91-M488 HydrophobicContact CZ3-CE 3.73Å; W91-M488 HydrophobicContact CZ3-CG 4.32Å; W91-M488 HydrophobicContact CZ3-SD 4.27Å; V102-M488 HydrophobicContact CG1-CB 4.22Å; V102-M488 HydrophobicContact CG1-CG 3.9Å; V102-M488 HydrophobicContact CG2-CG 4.24Å; Y150-M488 HydrophobicContact CE2-CE 4.37Å; Y150-M488 HydrophobicContact CE2-SD 4.37Å; A484-M488 PolarHBondContact O-N 3.33Å; L485-M488 PolarHBondContact O-N 3.14Å; M488-D490 VanDerWaalsContact C-N 3.35Å; M488-D490 PolarHBondContact O-N 3.39Å; M488-Q491 HydrophobicContact CE-CB 3.83Å; M488-Q491 PolarHBondContact O-N 3.2Å; M488-S492 VanDerWaalsContact O-CB 3.27Å; M488-S492 WeakPolarHBondContact O-CB 3.37Å; M488-S492 PolarHBondContact O-N 3.2Å; M488-L495 HydrophobicContact CE-CD1 4.07Å
489	L	95.7	Very high	91.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-44.5	175.8	-173.7	152.2	0	0	0	111.4	N99 V102 V207 Y211 L262 Y263 L485 G486 Y487 S492	N99-L489 PolarHBondContact ND2-O 2.8Å; V102-L489 HydrophobicContact CG2-CB 4.33Å; V207-L489 HydrophobicContact CG1-CB 4.26Å; V207-L489 HydrophobicContact CG1-CD1 4.44Å; V207-L489 HydrophobicContact CG1-CD2 3.88Å; V207-L489 HydrophobicContact CG1-CG 4.43Å; Y211-L489 HydrophobicContact CD1-CD1 3.72Å; Y211-L489 HydrophobicContact CD2-CD1 3.14Å; Y211-L489 HydrophobicContact CE1-CD1 4.06Å; Y211-L489 HydrophobicContact CE2-CD1 3.53Å; Y211-L489 HydrophobicContact CG-CD1 3.24Å; L262-L489 HydrophobicContact CB-CD2 4.37Å; L262-L489 HydrophobicContact CD1-CD2 3.94Å; L262-L489 HydrophobicContact CD2-CD2 3.38Å; L262-L489 HydrophobicContact CG-CD2 4.09Å; Y263-L489 HydrophobicContact CE2-CD1 4.14Å; Y263-L489 HydrophobicContact CE2-CD2 4.5Å; L485-L489 WeakPolarHBondContact O-CB 3.32Å; L485-L489 PolarHBondContact O-N 3.13Å; G486-L489 PolarHBondContact O-N 3.32Å; Y487-L489 VanDerWaalsContact C-N 3.31Å; Y487-L489 PolarHBondContact O-N 3.25Å; L489-S492 PolarHBondContact O-OG 3.38Å
490	D	95.9	Very high	91.6	Very high	14 Å²	14	33 Å²	33	8%	0.075	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-53.3	175	-178	52.6	0	0	0	111.3	Y204 L260 G486 Y487 M488 S492 G493 H494	Y204-D490 HydrophobicContact CD1-CB 4.3Å; Y204-D490 HydrophobicContact CE1-CB 3.69Å; Y204-D490 VanDerWaalsContact CE1-OD2 3.28Å; Y204-D490 WeakPolarHBondContact CE1-OD2 3.39Å; Y204-D490 PolarHBondContact OH-OD2 2.81Å; L260-D490 WeakPolarHBondContact CD1-OD1 3.49Å; G486-D490 PolarHBondContact O-N 3.08Å; Y487-D490 PolarHBondContact O-N 2.03Å; M488-D490 VanDerWaalsContact C-N 3.35Å; M488-D490 PolarHBondContact O-N 3.39Å; D490-S492 PolarHBondContact O-N 2.78Å; D490-G493 PolarHBondContact O-N 3.18Å; D490-H494 IonicContact OD1-NE2 2.84Å
491	Q	94.8	Very high	91.6	Very high	34 Å²	34	35.1 Å²	35.1	16%	0.159	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-33.8	178.8	-68.8	-50.7	-66.9	0	0	113.2	Y150 Y487 M488 G493 H494 L495	Y150-Q491 HydrophobicContact CE1-CG 4.21Å; Y487-Q491 HydrophobicContact CD1-CG 3.93Å; Y487-Q491 HydrophobicContact CD2-CG 4.19Å; Y487-Q491 HydrophobicContact CE1-CG 3.51Å; Y487-Q491 HydrophobicContact CE2-CG 3.81Å; Y487-Q491 HydrophobicContact CG-CG 4.25Å; Y487-Q491 VanDerWaalsContact CZ-CG 3.45Å; Y487-Q491 WeakPolarHBondContact O-CB 2.97Å; Y487-Q491 VanDerWaalsContact O-CG 3.29Å; Y487-Q491 WeakPolarHBondContact O-CG 3.02Å; Y487-Q491 PolarHBondContact O-N 3.06Å; M488-Q491 HydrophobicContact CE-CB 3.83Å; M488-Q491 PolarHBondContact O-N 3.2Å; Q491-G493 PolarHBondContact O-N 3.07Å; Q491-H494 WeakPolarHBondContact O-CA 3.41Å; Q491-H494 PolarHBondContact O-N 3.24Å; Q491-L495 PolarHBondContact O-N 3.45Å; Q491-L495 VanDerWaalsContact O-N 3.08Å
492	S	94.7	Very high	91.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-29.8	175.9	74.7	0	0	0	0	112	R97 G100 M488 L489 D490 H494 L495	R97-S492 PolarHBondContact NH1-O 3.36Å; G100-S492 PolarHBondContact N-OG 3.16Å; M488-S492 VanDerWaalsContact O-CB 3.27Å; M488-S492 WeakPolarHBondContact O-CB 3.37Å; M488-S492 PolarHBondContact O-N 3.2Å; L489-S492 PolarHBondContact O-OG 3.38Å; D490-S492 PolarHBondContact O-N 2.78Å; S492-H494 VanDerWaalsContact C-N 3.31Å; S492-L495 PolarHBondContact O-N 3Å
493	G	92.8	Very high	91	Very high	31 Å²	31	39.8 Å²	39.8	32%	0.32	22%	0.223	S	C	.	.	H	α-helix	trans	-76	-18.2	174.8	0	0	0	0	0	114.4	S98 D490 Q491	S98-G493 WeakPolarHBondContact O-CA 3.28Å; D490-G493 PolarHBondContact O-N 3.18Å; Q491-G493 PolarHBondContact O-N 3.07Å
494	H	90.2	Very high	90.6	Very high	129 Å²	129	40.4 Å²	40.4	60%	0.597	23%	0.227	S	C	*	.	H	α-helix	trans	-89.8	-17.5	173.4	-63.9	-59.9	0	0	0	113.2	D490 Q491 S492 P496	D490-H494 IonicContact OD1-NE2 2.84Å; Q491-H494 WeakPolarHBondContact O-CA 3.41Å; Q491-H494 PolarHBondContact O-N 3.24Å; S492-H494 VanDerWaalsContact C-N 3.31Å; H494-P496 WeakPolarHBondContact O-CD 3.31Å
495	L	87.8	Confident	90.3	Very high	27 Å²	27	43.4 Å²	43.4	14%	0.141	25%	0.248	C	C	.	.	S	Bend	trans	-82.2	112.5	173.9	-67.8	172.9	0	0	0	109.6	W91 R97 P148 M488 Q491 S492 S497	W91-L495 HydrophobicContact CH2-CD1 3.73Å; W91-L495 HydrophobicContact CZ2-CD1 3.85Å; R97-L495 PolarHBondContact NH2-O 2.93Å; P148-L495 HydrophobicContact CG-CD1 4.03Å; M488-L495 HydrophobicContact CE-CD1 4.07Å; Q491-L495 PolarHBondContact O-N 3.45Å; Q491-L495 VanDerWaalsContact O-N 3.08Å; S492-L495 PolarHBondContact O-N 3Å; L495-S497 PolarHBondContact O-N 3.47Å
496	P	85.1	Confident	90	Very high	106 Å²	106	47 Å²	47	69%	0.688	27%	0.27	S	S	*	.			trans	-60.8	140.5	179	27.7	-34.1	0	0	0	109.8	H494 E498	H494-P496 WeakPolarHBondContact O-CD 3.31Å; P496-E498 PolarHBondContact O-N 2.79Å
497	S	87.1	Confident	89.8	Confident	18 Å²	18	54.6 Å²	54.6	13%	0.126	31%	0.306	C	S	.	.			trans	-72.2	127.2	171.1	159.7	0	0	0	0	109.8	D93 P95 L495 S499 K501	D93-S497 PolarHBondContact O-OG 3.01Å; D93-S497 VanDerWaalsContact OD1-CA 3.3Å; D93-S497 WeakPolarHBondContact OD1-CA 3.47Å; D93-S497 VanDerWaalsContact OD1-CB 3.23Å; D93-S497 WeakPolarHBondContact OD1-CB 3.38Å; D93-S497 PolarHBondContact OD1-OG 3.32Å; D93-S497 WeakPolarHBondContact OD2-CA 3.36Å; D93-S497 WeakPolarHBondContact OD2-CB 3.45Å; D93-S497 PolarHBondContact OD2-OG 2.97Å; P95-S497 WeakPolarHBondContact CA-OG 3.37Å; L495-S497 PolarHBondContact O-N 3.47Å; S497-S499 PolarHBondContact OG-N 2.82Å; S497-K501 VanDerWaalsContact CB-NZ 3.31Å; S497-K501 PolarHBondContact O-NZ 2.86Å; S497-K501 PolarHBondContact OG-NZ 2.92Å
498	E	85.6	Confident	89.6	Confident	154 Å²	154	58.4 Å²	58.4	72%	0.72	33%	0.326	S	S	*	.			trans	-88.3	-12.8	175.5	-63.7	-174.8	173.8	0	0	111.9	D93 P496	D93-E498 PolarHBondContact OD2-N 2.67Å; P496-E498 PolarHBondContact O-N 2.79Å
499	S	85.4	Confident	89.6	Confident	6 Å²	6	60 Å²	60	4%	0.042	33%	0.333	C	S	.	.	S	Bend	trans	-60.8	143.9	176.6	-63.7	0	0	0	0	112.2	D93 S497 K501	D93-S499 WeakPolarHBondContact O-CB 3.19Å; D93-S499 PolarHBondContact O-OG 2.98Å; D93-S499 WeakPolarHBondContact OD2-CB 3.39Å; D93-S499 PolarHBondContact OD2-N 2.88Å; D93-S499 PolarHBondContact OD2-OG 3.47Å; S497-S499 PolarHBondContact OG-N 2.82Å; S499-K501 PolarHBondContact O-N 3.44Å
500	P	84	Confident	89.6	Confident	69 Å²	69	63.1 Å²	63.1	45%	0.448	35%	0.352	S	S	.	.			trans	-52.1	133.2	177.1	-25.2	33.2	0	0	0	111	P95 V502	P95-P500 VanDerWaalsContact CB-O 3.28Å; P95-P500 WeakPolarHBondContact CB-O 3.46Å; P500-V502 HydrophobicContact CB-CG2 4.43Å; P500-V502 PolarHBondContact O-N 3.4Å
501	K	85.7	Confident	89.6	Confident	111 Å²	111	66.4 Å²	66.4	48%	0.483	38%	0.375	S	S	.	.	S	Bend	trans	-74.1	56.3	-180	-57	-54.2	179.6	-154.3	0	112.5	P95 F96 S497 S499	P95-K501 HydrophobicContact CB-CD 3.76Å; P95-K501 VanDerWaalsContact O-CD 3.29Å; P95-K501 WeakPolarHBondContact O-CD 3.3Å; P95-K501 WeakPolarHBondContact O-CE 3.36Å; P95-K501 PolarHBondContact O-NZ 3.24Å; F96-K501 HydrophobicContact CE1-CB 4.18Å; F96-K501 HydrophobicContact CE1-CD 4.45Å; F96-K501 HydrophobicContact CZ-CB 4.05Å; S497-K501 VanDerWaalsContact CB-NZ 3.31Å; S497-K501 PolarHBondContact O-NZ 2.86Å; S497-K501 PolarHBondContact OG-NZ 2.92Å; S499-K501 PolarHBondContact O-N 3.44Å
502	V	85.6	Confident	89.7	Confident	36 Å²	36	67.5 Å²	67.5	22%	0.218	38%	0.382	C	S	.	.			trans	-126.1	123.6	-178.9	179	0	0	0	0	107.8	L62 P500 V504	L62-V502 HydrophobicContact CB-CG1 4.04Å; L62-V502 HydrophobicContact CD2-CG1 3.73Å; L62-V502 HydrophobicContact CD2-CG2 4.08Å; L62-V502 HydrophobicContact CG-CG1 4.43Å; P500-V502 HydrophobicContact CB-CG2 4.43Å; P500-V502 PolarHBondContact O-N 3.4Å; V502-V504 HydrophobicContact CG1-CG2 4.1Å
503	S	84.5	Confident	89.8	Confident	83 Å²	83	70.8 Å²	70.8	58%	0.58	40%	0.396	S	S	*	.			trans	-128.6	118	170.6	-178.5	0	0	0	0	108.2
504	V	86.7	Confident	90	Very high	17 Å²	17	73.5 Å²	73.5	10%	0.103	40%	0.402	C	S	.	.			trans	-121.4	113	174.1	-176.3	0	0	0	0	107.2	I59 L62 Y63 V502 F509	I59-V504 HydrophobicContact CD1-CG1 4.22Å; L62-V504 HydrophobicContact CB-CG2 3.85Å; Y63-V504 HydrophobicContact CD2-CB 4.48Å; Y63-V504 HydrophobicContact CD2-CG1 4.37Å; V502-V504 HydrophobicContact CG1-CG2 4.1Å; V504-F509 HydrophobicContact CG1-CB 3.89Å
505	S	88.4	Confident	90.3	Very high	62 Å²	62	71.8 Å²	71.8	43%	0.434	40%	0.397	S	S	.	.			trans	-65.5	146.7	175.9	74.3	0	0	0	0	110.3	Q507 L508 F509	S505-Q507 PolarHBondContact O-N 3.35Å; S505-L508 PolarHBondContact O-N 2.03Å; S505-L508 WeakPolarHBondContact OG-CB 2.98Å; S505-L508 PolarHBondContact OG-N 3.1Å; S505-L508 VanDerWaalsContact OG-N 3.08Å; S505-F509 PolarHBondContact O-N 3.25Å
506	T	90.6	Very high	90.8	Very high	85 Å²	85	71.7 Å²	71.7	52%	0.521	40%	0.397	S	S	.	.	H	α-helix	trans	-55	-37.2	176.5	-52.2	0	0	0	0	111.7	V510	T506-V510 HydrophobicContact CG2-CG2 4.49Å; T506-V510 WeakPolarHBondContact O-CB 3.37Å; T506-V510 VanDerWaalsContact O-CG2 3.23Å; T506-V510 WeakPolarHBondContact O-CG2 3.03Å; T506-V510 PolarHBondContact O-N 3.37Å
507	Q	93.2	Very high	91.3	Very high	159 Å²	159	69.9 Å²	69.9	74%	0.743	38%	0.381	S	S	*	.	H	α-helix	trans	-64.6	-46.7	175.8	-70.4	178.8	-15.5	0	0	112.1	S505 F509 V510 C511	S505-Q507 PolarHBondContact O-N 3.35Å; Q507-F509 VanDerWaalsContact C-N 3.35Å; Q507-V510 PolarHBondContact O-N 3.46Å; Q507-C511 WeakPolarHBondContact O-CB 3.43Å; Q507-C511 PolarHBondContact O-N 2.79Å; Q507-C511 PolarHBondContact O-SG 3.13Å
508	L	92.8	Very high	91.7	Very high	85 Å²	85	74.3 Å²	74.3	45%	0.445	40%	0.402	S	S	.	.	H	α-helix	trans	-63.4	-43.3	178.2	-179.6	61.9	0	0	0	111.1	S505 C511 L512	S505-L508 PolarHBondContact O-N 2.03Å; S505-L508 WeakPolarHBondContact OG-CB 2.98Å; S505-L508 PolarHBondContact OG-N 3.1Å; S505-L508 VanDerWaalsContact OG-N 3.08Å; L508-C511 PolarHBondContact O-N 2.91Å; L508-L512 HydrophobicContact CD1-CD1 3.85Å; L508-L512 HydrophobicContact CD1-CG 4.08Å; L508-L512 HydrophobicContact CG-CD1 3.9Å; L508-L512 HydrophobicContact CG-CG 4.48Å; L508-L512 WeakPolarHBondContact O-CB 3.45Å; L508-L512 WeakPolarHBondContact O-CG 3.33Å; L508-L512 PolarHBondContact O-N 3.45Å
509	F	95	Very high	92.2	Very high	33 Å²	33	70.5 Å²	70.5	15%	0.145	39%	0.387	C	S	.	.	H	α-helix	trans	-56.7	-52.7	174.7	170.9	-108.1	0	0	0	111.3	I59 I60 Y63 V504 S505 Q507 C511 L512 F513	I59-F509 HydrophobicContact CG1-CD2 4.14Å; I59-F509 HydrophobicContact CG2-CD2 4.49Å; I59-F509 HydrophobicContact CG2-CE2 4.38Å; I60-F509 HydrophobicContact CG1-CE2 4.13Å; I60-F509 HydrophobicContact CG1-CZ 4.45Å; Y63-F509 VanDerWaalsContact CB-CD2 3.4Å; Y63-F509 AromaticContact CD1-CD1 3.86Å; Y63-F509 HydrophobicContact CD1-CD1 3.86Å; Y63-F509 HydrophobicContact CD1-CD2 4.05Å; Y63-F509 AromaticContact CD1-CE1 3.84Å; Y63-F509 HydrophobicContact CD1-CE1 3.84Å; Y63-F509 HydrophobicContact CD1-CE2 4.04Å; Y63-F509 AromaticContact CD1-CG 3.97Å; Y63-F509 HydrophobicContact CD1-CG 3.97Å; Y63-F509 AromaticContact CD1-CZ 3.94Å; Y63-F509 HydrophobicContact CD1-CZ 3.94Å; Y63-F509 HydrophobicContact CD2-CB 3.58Å; Y63-F509 HydrophobicContact CD2-CD1 4.04Å; Y63-F509 HydrophobicContact CD2-CD2 4.04Å; Y63-F509 AromaticContact CD2-CG 3.6Å; Y63-F509 HydrophobicContact CD2-CG 3.6Å; Y63-F509 AromaticContact CE1-CD1 3.94Å; Y63-F509 HydrophobicContact CE1-CD1 3.94Å; Y63-F509 AromaticContact CE1-CE1 3.99Å; Y63-F509 HydrophobicContact CE1-CE1 3.99Å; Y63-F509 HydrophobicContact CE1-CG 4.41Å; Y63-F509 HydrophobicContact CE2-CB 4.01Å; Y63-F509 HydrophobicContact CE2-CD1 4.12Å; Y63-F509 HydrophobicContact CE2-CG 4.1Å; Y63-F509 HydrophobicContact CG-CB 4.03Å; Y63-F509 AromaticContact CG-CD1 3.91Å; Y63-F509 HydrophobicContact CG-CD1 3.91Å; Y63-F509 AromaticContact CG-CD2 3.56Å; Y63-F509 HydrophobicContact CG-CD2 3.56Å; Y63-F509 HydrophobicContact CG-CE1 4.27Å; Y63-F509 AromaticContact CG-CE2 3.96Å; Y63-F509 HydrophobicContact CG-CE2 3.96Å; Y63-F509 AromaticContact CG-CG 3.53Å; Y63-F509 HydrophobicContact CG-CG 3.53Å; Y63-F509 HydrophobicContact CG-CZ 4.3Å; V504-F509 HydrophobicContact CG1-CB 3.89Å; S505-F509 PolarHBondContact O-N 3.25Å; Q507-F509 VanDerWaalsContact C-N 3.35Å; F509-C511 PolarHBondContact O-N 3.39Å; F509-L512 PolarHBondContact O-N 3.34Å; F509-F513 HydrophobicContact CE2-CD2 4.26Å; F509-F513 HydrophobicContact CZ-CB 4.48Å; F509-F513 AromaticContact CZ-CD2 3.94Å; F509-F513 HydrophobicContact CZ-CD2 3.94Å; F509-F513 HydrophobicContact CZ-CG 4.45Å; F509-F513 WeakPolarHBondContact O-CB 3.46Å; F509-F513 PolarHBondContact O-N 2.87Å
510	V	95.6	Very high	92.7	Very high	67 Å²	67	71.2 Å²	71.2	41%	0.406	39%	0.39	S	S	.	.	H	α-helix	trans	-60.3	-44.9	-179.2	170.2	0	0	0	0	111.3	T506 Q507 F513 I514	T506-V510 HydrophobicContact CG2-CG2 4.49Å; T506-V510 WeakPolarHBondContact O-CB 3.37Å; T506-V510 VanDerWaalsContact O-CG2 3.23Å; T506-V510 WeakPolarHBondContact O-CG2 3.03Å; T506-V510 PolarHBondContact O-N 3.37Å; Q507-V510 PolarHBondContact O-N 3.46Å; V510-F513 PolarHBondContact O-N 3.43Å; V510-I514 HydrophobicContact CG1-CD1 3.75Å; V510-I514 HydrophobicContact CG1-CG1 4.48Å; V510-I514 WeakPolarHBondContact O-CB 3.23Å; V510-I514 VanDerWaalsContact O-CG1 3.28Å; V510-I514 WeakPolarHBondContact O-CG1 3.35Å; V510-I514 PolarHBondContact O-N 3.32Å
511	C	96.8	Very high	93.3	Very high	83 Å²	83	71.7 Å²	71.7	56%	0.561	39%	0.388	S	S	*	.	H	α-helix	trans	-60.9	-47.9	178.1	-72.5	0	0	0	0	112.3	Q507 L508 F509 L515	Q507-C511 WeakPolarHBondContact O-CB 3.43Å; Q507-C511 PolarHBondContact O-N 2.79Å; Q507-C511 PolarHBondContact O-SG 3.13Å; L508-C511 PolarHBondContact O-N 2.91Å; F509-C511 PolarHBondContact O-N 3.39Å; C511-L515 WeakPolarHBondContact O-CB 3.47Å; C511-L515 PolarHBondContact O-N 3.07Å
512	L	96.4	Very high	93.7	Very high	57 Å²	57	68.4 Å²	68.4	30%	0.298	39%	0.385	S	S	.	.	H	α-helix	trans	-68.8	-39.3	179.6	-70.8	174.7	0	0	0	111.9	I59 L508 F509 L515 L516	I59-L512 HydrophobicContact CD1-CD1 3.54Å; I59-L512 HydrophobicContact CG1-CB 4.07Å; I59-L512 HydrophobicContact CG1-CD1 3.95Å; L508-L512 HydrophobicContact CD1-CD1 3.85Å; L508-L512 HydrophobicContact CD1-CG 4.08Å; L508-L512 HydrophobicContact CG-CD1 3.9Å; L508-L512 HydrophobicContact CG-CG 4.48Å; L508-L512 WeakPolarHBondContact O-CB 3.45Å; L508-L512 WeakPolarHBondContact O-CG 3.33Å; L508-L512 PolarHBondContact O-N 3.45Å; F509-L512 PolarHBondContact O-N 3.34Å; L512-L515 PolarHBondContact O-N 3.49Å; L512-L516 WeakPolarHBondContact O-CB 3.31Å; L512-L516 WeakPolarHBondContact O-CD1 3.44Å; L512-L516 WeakPolarHBondContact O-CG 3.36Å; L512-L516 PolarHBondContact O-N 2.83Å
513	F	96.8	Very high	94	Very high	68 Å²	68	67.1 Å²	67.1	30%	0.298	38%	0.378	S	S	.	.	H	α-helix	trans	-58.8	-49.7	175.7	-177.6	-85.4	0	0	0	111	L56 I60 F509 V510 L516 L517	L56-F513 HydrophobicContact CD1-CD2 3.43Å; L56-F513 VanDerWaalsContact CD1-CD2 3.43Å; L56-F513 HydrophobicContact CD1-CE2 3.73Å; L56-F513 HydrophobicContact CD1-CG 4.12Å; I60-F513 HydrophobicContact CD1-CE2 4.25Å; I60-F513 HydrophobicContact CG1-CD2 4.45Å; F509-F513 HydrophobicContact CE2-CD2 4.26Å; F509-F513 HydrophobicContact CZ-CB 4.48Å; F509-F513 AromaticContact CZ-CD2 3.94Å; F509-F513 HydrophobicContact CZ-CD2 3.94Å; F509-F513 HydrophobicContact CZ-CG 4.45Å; F509-F513 WeakPolarHBondContact O-CB 3.46Å; F509-F513 PolarHBondContact O-N 2.87Å; V510-F513 PolarHBondContact O-N 3.43Å; F513-L516 PolarHBondContact O-N 2.9Å; F513-L517 HydrophobicContact CE1-CD2 4.12Å; F513-L517 VanDerWaalsContact O-CB 3.24Å; F513-L517 WeakPolarHBondContact O-CB 3.39Å; F513-L517 PolarHBondContact O-N 2.93Å
514	I	96.9	Very high	94.5	Very high	88 Å²	88	66.8 Å²	66.8	45%	0.451	37%	0.369	S	S	.	.	H	α-helix	trans	-63.1	-46	178.1	-67.9	169.1	0	0	0	110.7	V510 L516 L517 L518	V510-I514 HydrophobicContact CG1-CD1 3.75Å; V510-I514 HydrophobicContact CG1-CG1 4.48Å; V510-I514 WeakPolarHBondContact O-CB 3.23Å; V510-I514 VanDerWaalsContact O-CG1 3.28Å; V510-I514 WeakPolarHBondContact O-CG1 3.35Å; V510-I514 PolarHBondContact O-N 3.32Å; I514-L516 PolarHBondContact O-N 2.04Å; I514-L517 PolarHBondContact O-N 3.09Å; I514-L518 HydrophobicContact CG2-CD1 3.93Å; I514-L518 HydrophobicContact CG2-CG 4.29Å; I514-L518 WeakPolarHBondContact O-CB 3.26Å; I514-L518 VanDerWaalsContact O-CG 3.28Å; I514-L518 WeakPolarHBondContact O-CG 3.39Å; I514-L518 PolarHBondContact O-N 2.84Å
515	L	96.8	Very high	94.8	Very high	93 Å²	93	70.2 Å²	70.2	49%	0.487	39%	0.386	S	S	.	.	H	α-helix	trans	-57.9	-49.2	178.8	177.9	64.3	0	0	0	111.6	C511 L512 L518 L519	C511-L515 WeakPolarHBondContact O-CB 3.47Å; C511-L515 PolarHBondContact O-N 3.07Å; L512-L515 PolarHBondContact O-N 3.49Å; L515-L518 PolarHBondContact O-N 3.12Å; L515-L519 HydrophobicContact CG-CD1 4.44Å; L515-L519 WeakPolarHBondContact O-CG 3.38Å; L515-L519 PolarHBondContact O-N 2.68Å
516	L	97	Very high	94.8	Very high	25 Å²	25	68.6 Å²	68.6	13%	0.131	38%	0.379	C	S	.	.	H	α-helix	trans	-66.8	-38	-179.6	-69.2	163.5	0	0	0	111.5	L56 I59 L512 F513 I514 L519 I520	L56-L516 HydrophobicContact CB-CB 4.31Å; L56-L516 HydrophobicContact CB-CD1 4.36Å; L56-L516 HydrophobicContact CD1-CB 4.27Å; I59-L516 HydrophobicContact CG2-CD1 4.04Å; L512-L516 WeakPolarHBondContact O-CB 3.31Å; L512-L516 WeakPolarHBondContact O-CD1 3.44Å; L512-L516 WeakPolarHBondContact O-CG 3.36Å; L512-L516 PolarHBondContact O-N 2.83Å; F513-L516 PolarHBondContact O-N 2.9Å; I514-L516 PolarHBondContact O-N 2.04Å; L516-L519 PolarHBondContact O-N 3.17Å; L516-I520 VanDerWaalsContact O-CG1 3.25Å; L516-I520 WeakPolarHBondContact O-CG1 3.33Å; L516-I520 PolarHBondContact O-N 3.38Å
517	L	96.2	Very high	94.9	Very high	69 Å²	69	66.4 Å²	66.4	36%	0.361	36%	0.364	S	S	.	.	H	α-helix	trans	-64	-42	174.9	-172.5	64.5	0	0	0	111.8	F513 I514 I520 I521	F513-L517 HydrophobicContact CE1-CD2 4.12Å; F513-L517 VanDerWaalsContact O-CB 3.24Å; F513-L517 WeakPolarHBondContact O-CB 3.39Å; F513-L517 PolarHBondContact O-N 2.93Å; I514-L517 PolarHBondContact O-N 3.09Å; L517-I520 PolarHBondContact O-N 3.15Å; L517-I521 HydrophobicContact CD1-CD1 4.41Å; L517-I521 HydrophobicContact CG-CD1 3.99Å; L517-I521 VanDerWaalsContact O-CG1 3.27Å; L517-I521 WeakPolarHBondContact O-CG1 3.15Å; L517-I521 PolarHBondContact O-N 3.02Å
518	L	96.7	Very high	94.7	Very high	110 Å²	110	63.2 Å²	63.2	58%	0.576	35%	0.351	S	S	*	.	H	α-helix	trans	-63.8	-39.1	175.1	-71.8	173.9	0	0	0	112.1	I514 L515 I521 G522	I514-L518 HydrophobicContact CG2-CD1 3.93Å; I514-L518 HydrophobicContact CG2-CG 4.29Å; I514-L518 WeakPolarHBondContact O-CB 3.26Å; I514-L518 VanDerWaalsContact O-CG 3.28Å; I514-L518 WeakPolarHBondContact O-CG 3.39Å; I514-L518 PolarHBondContact O-N 2.84Å; L515-L518 PolarHBondContact O-N 3.12Å; L518-I521 PolarHBondContact O-N 2.91Å; L518-G522 PolarHBondContact O-N 3.07Å
519	L	96	Very high	94.4	Very high	75 Å²	75	63.5 Å²	63.5	39%	0.393	35%	0.353	S	S	.	.	H	α-helix	trans	-66	-39.1	175.3	-70.4	173.3	0	0	0	112.3	I48 S52 L515 L516 S523	I48-L519 HydrophobicContact CG2-CB 4.39Å; I48-L519 HydrophobicContact CG2-CD2 4.47Å; S52-L519 VanDerWaalsContact OG-CB 3.31Å; S52-L519 WeakPolarHBondContact OG-CB 3.36Å; L515-L519 HydrophobicContact CG-CD1 4.44Å; L515-L519 WeakPolarHBondContact O-CG 3.38Å; L515-L519 PolarHBondContact O-N 2.68Å; L516-L519 PolarHBondContact O-N 3.17Å; L519-S523 VanDerWaalsContact O-CB 3.27Å; L519-S523 WeakPolarHBondContact O-CB 3.48Å; L519-S523 PolarHBondContact O-N 3.34Å; L519-S523 PolarHBondContact O-OG 3.41Å
520	I	95.9	Very high	93.9	Very high	21 Å²	21	62.9 Å²	62.9	11%	0.108	35%	0.352	C	S	.	.	H	α-helix	trans	-62.7	-52.3	174.3	-70.4	165.2	0	0	0	110	L49 L56 L516 L517 G522 S523 I524	L49-I520 HydrophobicContact CD1-CB 4.24Å; L49-I520 HydrophobicContact CD1-CG1 4.29Å; L49-I520 HydrophobicContact CD1-CG2 3.82Å; L56-I520 HydrophobicContact CD2-CD1 3.82Å; L516-I520 VanDerWaalsContact O-CG1 3.25Å; L516-I520 WeakPolarHBondContact O-CG1 3.33Å; L516-I520 PolarHBondContact O-N 3.38Å; L517-I520 PolarHBondContact O-N 3.15Å; I520-G522 PolarHBondContact O-N 3.33Å; I520-S523 PolarHBondContact O-N 3.1Å; I520-I524 HydrophobicContact CG2-CD1 3.82Å; I520-I524 VanDerWaalsContact O-CG1 3.31Å; I520-I524 WeakPolarHBondContact O-CG1 3.4Å; I520-I524 PolarHBondContact O-N 3.38Å
521	I	95.2	Very high	93.4	Very high	78 Å²	78	68.5 Å²	68.5	40%	0.4	37%	0.366	S	S	.	.	H	α-helix	trans	-60.3	-47.1	179.8	-67.3	167.1	0	0	0	110.4	L517 L518 S523 I524 I525	L517-I521 HydrophobicContact CD1-CD1 4.41Å; L517-I521 HydrophobicContact CG-CD1 3.99Å; L517-I521 VanDerWaalsContact O-CG1 3.27Å; L517-I521 WeakPolarHBondContact O-CG1 3.15Å; L517-I521 PolarHBondContact O-N 3.02Å; L518-I521 PolarHBondContact O-N 2.91Å; I521-S523 VanDerWaalsContact C-N 3.34Å; I521-S523 PolarHBondContact O-N 3.25Å; I521-I524 PolarHBondContact O-N 3.1Å; I521-I525 HydrophobicContact CG2-CD1 3.73Å; I521-I525 HydrophobicContact CG2-CG1 4.4Å; I521-I525 VanDerWaalsContact O-CG1 3.31Å; I521-I525 WeakPolarHBondContact O-CG1 3.12Å; I521-I525 PolarHBondContact O-N 3.05Å
522	G	94.2	Very high	92.6	Very high	42 Å²	42	69.3 Å²	69.3	43%	0.433	36%	0.364	S	S	.	.	H	α-helix	trans	-60.5	-40.8	177.9	0	0	0	0	0	113	L518 I520 I525 G526	L518-G522 PolarHBondContact O-N 3.07Å; I520-G522 PolarHBondContact O-N 3.33Å; G522-I525 PolarHBondContact O-N 3Å; G522-G526 PolarHBondContact O-N 3.48Å
523	S	93.4	Very high	91.7	Very high	10 Å²	10	72.6 Å²	72.6	7%	0.07	38%	0.376	C	S	.	.	H	α-helix	trans	-66.7	-41.5	176.7	-59.6	0	0	0	0	111.9	I48 L519 I520 I521 G526 L527	I48-S523 WeakPolarHBondContact CG2-OG 3.33Å; L519-S523 VanDerWaalsContact O-CB 3.27Å; L519-S523 WeakPolarHBondContact O-CB 3.48Å; L519-S523 PolarHBondContact O-N 3.34Å; L519-S523 PolarHBondContact O-OG 3.41Å; I520-S523 PolarHBondContact O-N 3.1Å; I521-S523 VanDerWaalsContact C-N 3.34Å; I521-S523 PolarHBondContact O-N 3.25Å; S523-G526 PolarHBondContact O-N 2.87Å; S523-L527 WeakPolarHBondContact O-CB 3.43Å; S523-L527 VanDerWaalsContact O-CG 3.25Å; S523-L527 WeakPolarHBondContact O-CG 3.28Å; S523-L527 PolarHBondContact O-N 3.45Å
524	I	93.5	Very high	90.5	Very high	76 Å²	76	72.9 Å²	72.9	39%	0.39	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-47.2	175.6	-67.9	167.1	0	0	0	110.6	L49 I520 I521 G526 L527 L528	L49-I524 HydrophobicContact CD1-CD1 4.46Å; L49-I524 HydrophobicContact CD1-CG1 4.1Å; I520-I524 HydrophobicContact CG2-CD1 3.82Å; I520-I524 VanDerWaalsContact O-CG1 3.31Å; I520-I524 WeakPolarHBondContact O-CG1 3.4Å; I520-I524 PolarHBondContact O-N 3.38Å; I521-I524 PolarHBondContact O-N 3.1Å; I524-G526 VanDerWaalsContact C-N 3.34Å; I524-G526 PolarHBondContact O-N 3.4Å; I524-L527 PolarHBondContact O-N 3.45Å; I524-L528 HydrophobicContact CG2-CD1 4.04Å; I524-L528 HydrophobicContact CG2-CG 4.45Å; I524-L528 VanDerWaalsContact O-CG 3.31Å; I524-L528 WeakPolarHBondContact O-CG 3.22Å; I524-L528 PolarHBondContact O-N 3.39Å
525	I	92.7	Very high	89.3	Confident	89 Å²	89	71.6 Å²	71.6	46%	0.456	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-45.3	176.6	-67.3	169.5	0	0	0	110.4	I521 G522 L527 L528 L529	I521-I525 HydrophobicContact CG2-CD1 3.73Å; I521-I525 HydrophobicContact CG2-CG1 4.4Å; I521-I525 VanDerWaalsContact O-CG1 3.31Å; I521-I525 WeakPolarHBondContact O-CG1 3.12Å; I521-I525 PolarHBondContact O-N 3.05Å; G522-I525 PolarHBondContact O-N 3Å; I525-L527 VanDerWaalsContact C-N 3.35Å; I525-L527 PolarHBondContact O-N 3.47Å; I525-L528 PolarHBondContact O-N 2.95Å; I525-L529 HydrophobicContact CG2-CD1 3.92Å; I525-L529 HydrophobicContact CG2-CG 4.28Å; I525-L529 WeakPolarHBondContact O-CB 3.41Å; I525-L529 WeakPolarHBondContact O-CG 3.34Å; I525-L529 PolarHBondContact O-N 3.18Å
526	G	90.2	Very high	88	Confident	27 Å²	27	74.5 Å²	74.5	28%	0.278	39%	0.388	S	S	.	.	H	α-helix	trans	-59.4	-41.6	176.7	0	0	0	0	0	113.3	G522 S523 I524 L529 T530	G522-G526 PolarHBondContact O-N 3.48Å; S523-G526 PolarHBondContact O-N 2.87Å; I524-G526 VanDerWaalsContact C-N 3.34Å; I524-G526 PolarHBondContact O-N 3.4Å; G526-L529 PolarHBondContact O-N 3.02Å; G526-T530 WeakPolarHBondContact O-CB 3.26Å; G526-T530 WeakPolarHBondContact O-CG2 3.08Å; G526-T530 PolarHBondContact O-N 3.19Å; G526-T530 PolarHBondContact O-OG1 3.49Å
527	L	91	Very high	86.3	Confident	39 Å²	39	76.3 Å²	76.3	20%	0.204	40%	0.403	C	S	.	.	H	α-helix	trans	-66.6	-39.6	175.2	-71.5	169.2	0	0	0	112.3	T42 A45 L46 L49 S523 I524 I525 T530 R531	T42-L527 HydrophobicContact CG2-CD2 4.44Å; A45-L527 HydrophobicContact CB-CD2 3.9Å; A45-L527 HydrophobicContact CB-CG 3.93Å; L46-L527 HydrophobicContact CD2-CD1 4.08Å; L46-L527 HydrophobicContact CG-CD1 4.38Å; L46-L527 HydrophobicContact CG-CD2 4.18Å; L49-L527 HydrophobicContact CD2-CD1 4.18Å; S523-L527 WeakPolarHBondContact O-CB 3.43Å; S523-L527 VanDerWaalsContact O-CG 3.25Å; S523-L527 WeakPolarHBondContact O-CG 3.28Å; S523-L527 PolarHBondContact O-N 3.45Å; I524-L527 PolarHBondContact O-N 3.45Å; I525-L527 VanDerWaalsContact C-N 3.35Å; I525-L527 PolarHBondContact O-N 3.47Å; L527-T530 WeakPolarHBondContact CA-OG1 3.1Å; L527-T530 PolarHBondContact O-OG1 3.32Å; L527-R531 WeakPolarHBondContact O-CB 3.38Å; L527-R531 PolarHBondContact O-N 2.88Å
528	L	89.5	Confident	84.5	Confident	93 Å²	93	80.7 Å²	80.7	49%	0.487	42%	0.419	S	S	.	.	H	α-helix	trans	-66.3	-42.5	175.5	-70.4	172.9	0	0	0	112.1	I524 I525 R531 N532	I524-L528 HydrophobicContact CG2-CD1 4.04Å; I524-L528 HydrophobicContact CG2-CG 4.45Å; I524-L528 VanDerWaalsContact O-CG 3.31Å; I524-L528 WeakPolarHBondContact O-CG 3.22Å; I524-L528 PolarHBondContact O-N 3.39Å; I525-L528 PolarHBondContact O-N 2.95Å; L528-R531 PolarHBondContact O-N 2.9Å; L528-N532 PolarHBondContact O-N 3.45Å
529	L	86.8	Confident	82.6	Confident	91 Å²	91	82.4 Å²	82.4	48%	0.476	42%	0.422	S	S	.	.	H	α-helix	trans	-63.7	-50.1	176.9	-71.5	174.2	0	0	0	111.3	I525 G526 R531 N532 F533	I525-L529 HydrophobicContact CG2-CD1 3.92Å; I525-L529 HydrophobicContact CG2-CG 4.28Å; I525-L529 WeakPolarHBondContact O-CB 3.41Å; I525-L529 WeakPolarHBondContact O-CG 3.34Å; I525-L529 PolarHBondContact O-N 3.18Å; G526-L529 PolarHBondContact O-N 3.02Å; L529-R531 VanDerWaalsContact C-N 3.3Å; L529-R531 PolarHBondContact O-N 3.14Å; L529-N532 PolarHBondContact O-N 3.37Å; L529-N532 VanDerWaalsContact O-N 3.11Å; L529-F533 VanDerWaalsContact O-CD2 3.26Å; L529-F533 WeakPolarHBondContact O-CD2 3.34Å; L529-F533 PolarHBondContact O-N 3.39Å
530	T	84.7	Confident	80.6	Confident	20 Å²	20	82.5 Å²	82.5	12%	0.123	43%	0.429	C	S	.	.	H	α-helix	trans	-59.4	-39.8	178	48.7	0	0	0	0	112.2	T42 G526 L527 F533 L534	T42-T530 HydrophobicContact CG2-CG2 4.23Å; G526-T530 WeakPolarHBondContact O-CB 3.26Å; G526-T530 WeakPolarHBondContact O-CG2 3.08Å; G526-T530 PolarHBondContact O-N 3.19Å; G526-T530 PolarHBondContact O-OG1 3.49Å; L527-T530 WeakPolarHBondContact CA-OG1 3.1Å; L527-T530 PolarHBondContact O-OG1 3.32Å; T530-F533 PolarHBondContact O-N 3.38Å; T530-L534 WeakPolarHBondContact O-CG 3.42Å; T530-L534 PolarHBondContact O-N 3.39Å
531	R	83.8	Confident	78.4	Confident	185 Å²	185	85.4 Å²	85.4	70%	0.698	45%	0.447	S	S	*	.	H	α-helix	trans	-61.1	-44.9	172.8	-177.5	178.7	172.5	172.8	-1.8	112.4	L527 L528 L529 L534 S535	L527-R531 WeakPolarHBondContact O-CB 3.38Å; L527-R531 PolarHBondContact O-N 2.88Å; L528-R531 PolarHBondContact O-N 2.9Å; L529-R531 VanDerWaalsContact C-N 3.3Å; L529-R531 PolarHBondContact O-N 3.14Å; R531-L534 PolarHBondContact O-N 3.02Å; R531-S535 PolarHBondContact O-N 3.37Å
532	N	81.5	Confident	76.3	Confident	99 Å²	99	86.2 Å²	86.2	53%	0.529	46%	0.46	S	S	.	.	H	α-helix	trans	-64.5	-40.9	178.1	-79.5	-19.5	0	0	0	112.5	L528 L529 S535 K536	L528-N532 PolarHBondContact O-N 3.45Å; L529-N532 PolarHBondContact O-N 3.37Å; L529-N532 VanDerWaalsContact O-N 3.11Å; N532-S535 PolarHBondContact O-N 2.88Å; N532-K536 PolarHBondContact O-N 3.3Å
533	F	77	Confident	73.8	Confident	126 Å²	126	92.6 Å²	92.6	55%	0.553	48%	0.479	S	S	*	.	H	α-helix	trans	-63.1	-45.1	175.1	-86.3	-77.5	0	0	0	112.3	L529 T530 S535 K536 S537	L529-F533 VanDerWaalsContact O-CD2 3.26Å; L529-F533 WeakPolarHBondContact O-CD2 3.34Å; L529-F533 PolarHBondContact O-N 3.39Å; T530-F533 PolarHBondContact O-N 3.38Å; F533-S535 VanDerWaalsContact C-N 3.32Å; F533-S535 PolarHBondContact O-N 2.86Å; F533-K536 PolarHBondContact O-N 2.93Å; F533-S537 PolarHBondContact O-N 2.86Å
534	L	71	Confident	71.3	Confident	75 Å²	75	100.6 Å²	100.6	39%	0.393	53%	0.527	S	S	.	.	H	α-helix	trans	-62.1	-39	175.2	-73.4	169.9	0	0	0	112.1	T530 R531 S537 K538	T530-L534 WeakPolarHBondContact O-CG 3.42Å; T530-L534 PolarHBondContact O-N 3.39Å; R531-L534 PolarHBondContact O-N 3.02Å; L534-S537 PolarHBondContact O-N 2.69Å; L534-K538 PolarHBondContact O-N 3.06Å
535	S	71.7	Confident	70.1	Confident	61 Å²	61	101.8 Å²	101.8	43%	0.427	53%	0.534	S	S	.	.	H	α-helix	trans	-64.2	-40.1	175.1	-178.3	0	0	0	0	112.6	R531 N532 F533 K539	R531-S535 PolarHBondContact O-N 3.37Å; N532-S535 PolarHBondContact O-N 2.88Å; F533-S535 VanDerWaalsContact C-N 3.32Å; F533-S535 PolarHBondContact O-N 2.86Å; S535-K539 PolarHBondContact O-N 2.9Å
536	K	70.2	Confident	69	Low	154 Å²	154	102.5 Å²	102.5	67%	0.67	54%	0.538	S	S	*	.	H	α-helix	trans	-68	-40.9	175.7	-75.3	-176.7	177.6	-177.5	0	111.9	N532 F533 K538 K539 S540	N532-K536 PolarHBondContact O-N 3.3Å; F533-K536 PolarHBondContact O-N 2.93Å; K536-K538 PolarHBondContact O-N 3.09Å; K536-K539 PolarHBondContact O-N 2.76Å; K536-S540 PolarHBondContact O-N 3.24Å
537	S	60.6	Low	67.8	Low	62 Å²	62	106.7 Å²	106.7	43%	0.434	55%	0.552	S	S	.	*	H	α-helix	trans	-60.9	-41.3	176.5	173.5	0	0	0	0	112.4	F533 L534 S540 T541	F533-S537 PolarHBondContact O-N 2.86Å; L534-S537 PolarHBondContact O-N 2.69Å; S537-S540 PolarHBondContact O-N 3.13Å; S537-T541 PolarHBondContact O-N 2.91Å; S537-T541 PolarHBondContact O-OG1 3.25Å
538	K	58.2	Low	66.4	Low	161 Å²	161	110.6 Å²	110.6	70%	0.7	57%	0.572	S	S	*	*	H	α-helix	trans	-63.3	-41.2	174	-77.9	-173.5	176.8	-175.1	0	113.1	L534 K536 S540 T541 S542	L534-K538 PolarHBondContact O-N 3.06Å; K536-K538 PolarHBondContact O-N 3.09Å; K538-S540 VanDerWaalsContact C-N 3.33Å; K538-S540 PolarHBondContact O-N 3.11Å; K538-T541 WeakPolarHBondContact CA-OG1 3.4Å; K538-T541 PolarHBondContact O-N 2.93Å; K538-T541 PolarHBondContact O-OG1 3.11Å; K538-S542 PolarHBondContact O-N 3.43Å
539	K	57.2	Low	65	Low	146 Å²	146	111.8 Å²	111.8	64%	0.635	58%	0.578	S	S	*	*	H	α-helix	trans	-64.7	-36.1	176.4	-76.8	-174.1	176.4	-175.2	0	112.7	S535 K536 T541 S542	S535-K539 PolarHBondContact O-N 2.9Å; K536-K539 PolarHBondContact O-N 2.76Å; K539-T541 VanDerWaalsContact C-N 3.31Å; K539-T541 PolarHBondContact O-N 3.27Å; K539-S542 PolarHBondContact O-N 3.16Å; K539-S542 PolarHBondContact O-OG 3.16Å
540	S	53.3	Low	63.5	Low	78 Å²	78	113.1 Å²	113.1	55%	0.545	59%	0.585	S	S	.	*	H	α-helix	trans	-70.8	-24.8	177.2	-175	0	0	0	0	113.3	K536 S537 K538	K536-S540 PolarHBondContact O-N 3.24Å; S537-S540 PolarHBondContact O-N 3.13Å; K538-S540 VanDerWaalsContact C-N 3.33Å; K538-S540 PolarHBondContact O-N 3.11Å
541	T	51.4	Low	62	Low	81 Å²	81	119.8 Å²	119.8	50%	0.497	62%	0.618	S	S	.	*	H	α-helix	trans	-88.7	-16.6	177.9	24.5	0	0	0	0	113.3	S537 K538 K539	S537-T541 PolarHBondContact O-N 2.91Å; S537-T541 PolarHBondContact O-OG1 3.25Å; K538-T541 WeakPolarHBondContact CA-OG1 3.4Å; K538-T541 PolarHBondContact O-N 2.93Å; K538-T541 PolarHBondContact O-OG1 3.11Å; K539-T541 VanDerWaalsContact C-N 3.31Å; K539-T541 PolarHBondContact O-N 3.27Å
542	S	51.1	Low	60.3	Low	95 Å²	95	114.8 Å²	114.8	66%	0.664	61%	0.611	S	S	*	*	S	Bend	trans	-86.2	-6	170.6	60.5	0	0	0	0	114	K538 K539	K538-S542 PolarHBondContact O-N 3.43Å; K539-S542 PolarHBondContact O-N 3.16Å; K539-S542 PolarHBondContact O-OG 3.16Å
543	Q	40.7	Very low	58.6	Low	176 Å²	176	116.1 Å²	116.1	82%	0.822	62%	0.618	S	S	*	*			trans	-104	5.6	177.5	-81.6	-166.7	-29.5	0	0	113.8
544	V	40.3	Very low	56.9	Low	178 Å²	178	115.2 Å²	115.2	100%	1.079	62%	0.624	S	S	*	*			trans	-115.1	0	168.3	-175.6	0	0	0	0	106.9

Retrieved 544 of 544 residues in 115.8 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).