A0A096N5H2_PAPAN Loading...

Protein arginine N-methyltransferase 5

Arginine methyltransferase that can both catalyze the formation of omega-N monomethylarginine (MMA) and symmetrical dimethylarginine (sDMA).

AlphaFold DB (O14744), UniProt , Accession A0A096N5H2, Species PAPAN (Papio anubis, Olive baboon), Gene PRMT5, Length 637 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	30	Very low	33.1	Very low	245 Å²	245	113.7 Å²	113.7	100%	1.207	83%	0.834	S	S	*	*				0	149	0	-78.6	-162.5	-90.7	0	0	108.5
2	A	35.9	Very low	35.6	Very low	100 Å²	100	110 Å²	110	83%	0.826	81%	0.805	S	S	*	*			trans	76.5	78.9	-163.6	0	0	0	0	0	114.3	M4	A2-M4 PolarHBondContact O-N 2.72Å
3	A	34.7	Very low	38.9	Very low	104 Å²	104	112.9 Å²	112.9	86%	0.86	79%	0.786	S	S	*	*			trans	-66.9	117.3	156.2	0	0	0	0	0	107.1	A5	A3-A5 PolarHBondContact O-N 2.8Å; A3-A5 VanDerWaalsContact O-N 3.14Å
4	M	28.8	Very low	42.2	Very low	183 Å²	183	105.4 Å²	105.4	90%	0.901	73%	0.733	S	S	*	*			trans	-59.6	116.1	174	-72.4	-177.4	-172.1	0	0	108.4	A2 V6	A2-M4 PolarHBondContact O-N 2.72Å; M4-V6 PolarHBondContact O-N 3.34Å; M4-V6 VanDerWaalsContact O-N 3.11Å
5	A	35.7	Very low	45.7	Very low	99 Å²	99	101.4 Å²	101.4	82%	0.818	71%	0.705	S	S	*	*			trans	-60.6	113.9	164.5	0	0	0	0	0	107.1	A3 G7	A3-A5 PolarHBondContact O-N 2.8Å; A3-A5 VanDerWaalsContact O-N 3.14Å; A5-G7 PolarHBondContact O-N 3.09Å
6	V	30.6	Very low	48.9	Very low	140 Å²	140	95.1 Å²	95.1	85%	0.848	66%	0.661	S	S	*	*			trans	-57.9	110.6	172.3	178.7	0	0	0	0	106.9	M4 G8	M4-V6 PolarHBondContact O-N 3.34Å; M4-V6 VanDerWaalsContact O-N 3.11Å; V6-G8 VanDerWaalsContact C-N 3.28Å; V6-G8 PolarHBondContact O-N 3.28Å
7	G	24	Very low	51.8	Low	78 Å²	78	89.5 Å²	89.5	80%	0.804	62%	0.622	S	S	*	*			trans	-65.9	87.2	173.6	0	0	0	0	0	109.8	A5	A5-G7 PolarHBondContact O-N 3.09Å
8	G	29	Very low	54.3	Low	62 Å²	62	85.6 Å²	85.6	64%	0.639	59%	0.592	S	S	*	*			trans	-72.6	127.5	163.1	0	0	0	0	0	108.6	V6 G10	V6-G8 VanDerWaalsContact C-N 3.28Å; V6-G8 PolarHBondContact O-N 3.28Å; G8-G10 PolarHBondContact O-N 2.81Å
9	A	34.3	Very low	56.6	Low	100 Å²	100	81.3 Å²	81.3	83%	0.826	56%	0.562	S	S	*	*			trans	-41	126.8	170.8	0	0	0	0	0	110.1	G11	A9-G11 PolarHBondContact O-N 3.02Å
10	G	32.8	Very low	58.6	Low	84 Å²	84	79.2 Å²	79.2	87%	0.866	54%	0.544	S	S	*	.			trans	-50.5	94.2	-165.8	0	0	0	0	0	114.1	G8 S12	G8-G10 PolarHBondContact O-N 2.81Å; G10-S12 PolarHBondContact O-N 3.14Å
11	G	48.2	Very low	60.1	Low	56 Å²	56	80.3 Å²	80.3	58%	0.577	54%	0.544	S	S	*	.			trans	-69.3	114.9	165.3	0	0	0	0	0	107.8	A9 R13	A9-G11 PolarHBondContact O-N 3.02Å; G11-R13 PolarHBondContact O-N 3.42Å; G11-R13 VanDerWaalsContact O-N 3.09Å
12	S	63	Low	62.9	Low	69 Å²	69	71.8 Å²	71.8	48%	0.483	51%	0.508	S	S	.	.			trans	-55.5	117.1	169.1	53.6	0	0	0	0	108.3	G10 V14	G10-S12 PolarHBondContact O-N 3.14Å; S12-V14 PolarHBondContact O-N 2.99Å
13	R	78.4	Confident	65.6	Low	148 Å²	148	67.2 Å²	67.2	56%	0.558	47%	0.47	S	S	*	.			trans	-50.7	134.5	174	-175.5	177.9	179.2	-147.7	-6.9	109.4	G11 S15 G37 D39	G11-R13 PolarHBondContact O-N 3.42Å; G11-R13 VanDerWaalsContact O-N 3.09Å; R13-S15 PolarHBondContact O-N 3.1Å; R13-G37 PolarHBondContact NH2-O 3.2Å; R13-D39 IonicContact CZ-OD1 2.8Å; R13-D39 IonicContact NE-OD1 3.31Å; R13-D39 IonicContact NH1-OD1 3.94Å; R13-D39 PolarHBondContact NH1-OD1 3.47Å; R13-D39 IonicContact NH2-OD1 3.44Å; R13-D39 PolarHBondContact NH2-OD1 2.95Å
14	V	85.9	Confident	68.2	Low	8 Å²	8	66 Å²	66	5%	0.048	45%	0.453	C	S	.	.			trans	-72.3	109.3	178.6	-178	0	0	0	0	108.5	S12 S16 L258 F264 S288	S12-V14 PolarHBondContact O-N 2.99Å; V14-S16 PolarHBondContact O-N 2.87Å; V14-S16 VanDerWaalsContact O-N 3.1Å; V14-S16 PolarHBondContact O-OG 3.23Å; V14-L258 HydrophobicContact CG1-CD2 4.31Å; V14-L258 HydrophobicContact CG2-CD2 4.08Å; V14-F264 HydrophobicContact CG1-CD2 3.35Å; V14-F264 HydrophobicContact CG1-CE2 3.87Å; V14-F264 HydrophobicContact CG1-CG 4.36Å; V14-S288 WeakPolarHBondContact CG2-OG 3.24Å
15	S	94.5	Very high	71.3	Confident	45 Å²	45	62.6 Å²	62.6	32%	0.315	44%	0.435	S	S	.	.			trans	-61.2	116.4	177.2	-179	0	0	0	0	109.9	R13 D39 Q263 F264	R13-S15 PolarHBondContact O-N 3.1Å; S15-D39 WeakPolarHBondContact CA-OD2 3.48Å; S15-Q263 WeakPolarHBondContact O-CA 3.33Å; S15-F264 PolarHBondContact O-N 3.25Å
16	S	96.8	Very high	74.1	Confident	0 Å²	0	58 Å²	58	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.6	-168.9	-58.3	0	0	0	0	112.9	V14 D39 F264 L281	V14-S16 PolarHBondContact O-N 2.87Å; V14-S16 VanDerWaalsContact O-N 3.1Å; V14-S16 PolarHBondContact O-OG 3.23Å; S16-D39 PolarHBondContact N-OD2 3.26Å; S16-D39 PolarHBondContact O-N 3.46Å; S16-F264 CarbonylContact C-O 3.55Å; S16-F264 WeakPolarHBondContact CA-O 3.27Å; S16-L281 VanDerWaalsContact OG-CD1 3.22Å; S16-L281 WeakPolarHBondContact OG-CD1 3.34Å
17	G	97.7	Very high	77.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	153.8	178.9	0	0	0	0	0	113.5	F38 F40 F264 I265 I266	G17-F38 VanDerWaalsContact C-CD1 3.47Å; G17-F38 WeakPolarHBondContact O-CD1 3.46Å; G17-F40 CarbonylContact C-O 3.45Å; G17-F40 VanDerWaalsContact CA-CZ 3.5Å; G17-F40 VanDerWaalsContact CA-O 3.23Å; G17-F40 WeakPolarHBondContact CA-O 3.26Å; G17-F264 PolarHBondContact N-O 3.34Å; G17-I265 CarbonylContact O-C 3.53Å; G17-I265 WeakPolarHBondContact O-CA 3.47Å; G17-I266 PolarHBondContact O-N 2.85Å
18	R	97.7	Very high	80.6	Confident	20 Å²	20	55.7 Å²	55.7	8%	0.075	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	126	170.7	-177.7	58.4	175.5	137.3	-0.4	110.6	L20 V33 F38 F40 C42 I266 G268	R18-L20 HydrophobicContact CG-CD2 4.26Å; R18-L20 HydrophobicContact CG-CG 4.19Å; R18-V33 HydrophobicContact CB-CG1 3.69Å; R18-V33 HydrophobicContact CB-CG2 4.02Å; R18-V33 HydrophobicContact CG-CG1 4.48Å; R18-V33 HydrophobicContact CG-CG2 3.94Å; R18-F38 HydrophobicContact CB-CB 4.4Å; R18-F38 HydrophobicContact CB-CD1 4.12Å; R18-F38 HydrophobicContact CB-CD2 3.97Å; R18-F38 HydrophobicContact CB-CE1 4.44Å; R18-F38 HydrophobicContact CB-CE2 4.3Å; R18-F38 HydrophobicContact CB-CG 3.89Å; R18-F40 PolarHBondContact N-O 3.23Å; R18-C42 PolarHBondContact O-N 3.47Å; R18-I266 WeakPolarHBondContact CD-O 3.44Å; R18-I266 PolarHBondContact NH1-O 3.38Å; R18-G268 VanDerWaalsContact CZ-O 3.31Å; R18-G268 PolarHBondContact NH1-O 3.25Å; R18-G268 PolarHBondContact NH2-O 3.14Å
19	D	97.6	Very high	83.8	Confident	4 Å²	4	54 Å²	54	2%	0.021	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.7	174.6	178.2	42	0	0	0	112.4	C42 K85 R154 I265 I266 T267	D19-C42 HydrophobicContact CB-CB 4.29Å; D19-K85 VanDerWaalsContact OD1-CD 3.24Å; D19-K85 WeakPolarHBondContact OD1-CD 3.38Å; D19-K85 VanDerWaalsContact OD1-CE 3.31Å; D19-K85 WeakPolarHBondContact OD1-CE 3.5Å; D19-K85 IonicContact OD1-NZ 3.97Å; D19-K85 PolarHBondContact OD1-NZ 3.1Å; D19-K85 IonicContact OD2-NZ 2.96Å; D19-R154 IonicContact OD2-NH1 2.64Å; D19-I265 HydrophobicContact CB-CG2 3.61Å; D19-I266 PolarHBondContact N-O 3.17Å; D19-T267 WeakPolarHBondContact OD2-CB 3.34Å; D19-T267 PolarHBondContact OD2-OG1 3.15Å
20	L	95.7	Very high	86.8	Confident	39 Å²	39	50 Å²	50	20%	0.204	31%	0.31	C	S	.	.			trans	-127.6	140.5	175.6	-60.6	178.9	0	0	0	111.1	R18 V23 T29 L41 C42 P44 K85	R18-L20 HydrophobicContact CG-CD2 4.26Å; R18-L20 HydrophobicContact CG-CG 4.19Å; L20-V23 HydrophobicContact CB-CG2 3.91Å; L20-V23 HydrophobicContact CD1-CG2 4.06Å; L20-T29 HydrophobicContact CD1-CG2 3.38Å; L20-L41 HydrophobicContact CB-CD1 4.27Å; L20-L41 HydrophobicContact CD1-CD1 3.65Å; L20-L41 HydrophobicContact CG-CD1 3.89Å; L20-C42 PolarHBondContact N-O 3.48Å; L20-P44 WeakPolarHBondContact O-CD 3.32Å; L20-K85 PolarHBondContact O-NZ 3.13Å
21	N	90.7	Very high	89.8	Confident	103 Å²	103	47.5 Å²	47.5	55%	0.551	28%	0.284	S	S	*	.	S	Bend	trans	-88.7	-20.5	179	-71.2	-31.2	0	0	0	113.5	K85	N21-K85 PolarHBondContact OD1-NZ 3.47Å
22	C	89.2	Confident	92.1	Very high	65 Å²	65	47 Å²	47	44%	0.439	27%	0.274	S	S	.	.			trans	-146.7	131	176.1	-171.6	0	0	0	0	108.6
23	V	93.1	Very high	93.7	Very high	4 Å²	4	44 Å²	44	2%	0.024	25%	0.253	C	S	.	.			trans	-127.5	102.6	178.8	175.9	0	0	0	0	105.9	L20 I26 T29 L41 M43 R68	L20-V23 HydrophobicContact CB-CG2 3.91Å; L20-V23 HydrophobicContact CD1-CG2 4.06Å; V23-I26 HydrophobicContact CG1-CG1 4.31Å; V23-T29 HydrophobicContact CG1-CG2 3.94Å; V23-T29 HydrophobicContact CG2-CG2 4.27Å; V23-L41 HydrophobicContact CG2-CD2 4.38Å; V23-M43 HydrophobicContact CB-CB 4.45Å; V23-M43 HydrophobicContact CB-SD 3.99Å; V23-M43 HydrophobicContact CG1-SD 3.94Å; V23-M43 HydrophobicContact CG2-CB 3.59Å; V23-M43 HydrophobicContact CG2-CG 4.39Å; V23-M43 HydrophobicContact CG2-SD 3.97Å; V23-R68 PolarHBondContact O-NH1 2.9Å
24	P	89.1	Confident	94.5	Very high	79 Å²	79	39.8 Å²	39.8	51%	0.513	25%	0.25	S	C	.	.	S	Bend	trans	-67.6	-57.8	177.9	-23.2	35.1	0	0	0	111.6	R68	P24-R68 PolarHBondContact O-NH1 3.29Å
25	E	92.7	Very high	95	Very high	112 Å²	112	48.4 Å²	48.4	52%	0.523	29%	0.287	S	S	.	.	S	Bend	trans	-108.6	110.1	179.8	-64.4	-55.5	150.2	0	0	110.4	D28 T29	E25-D28 HydrophobicContact CB-CB 4Å; E25-T29 WeakPolarHBondContact O-CB 3.25Å; E25-T29 PolarHBondContact O-N 2.99Å; E25-T29 PolarHBondContact O-OG1 3.17Å
26	I	94.3	Very high	95	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-66.4	-51.5	-171.5	-55.4	-179.3	0	0	0	111	V23 T29 L30 M43 L72 L73 W78	V23-I26 HydrophobicContact CG1-CG1 4.31Å; I26-T29 PolarHBondContact O-N 2.73Å; I26-L30 VanDerWaalsContact O-CB 3.27Å; I26-L30 WeakPolarHBondContact O-CB 3.49Å; I26-L30 PolarHBondContact O-N 3.29Å; I26-M43 HydrophobicContact CD1-CE 3.98Å; I26-M43 HydrophobicContact CG1-CE 4.27Å; I26-M43 HydrophobicContact CG1-SD 4.38Å; I26-M43 HydrophobicContact CG2-CE 3.64Å; I26-M43 HydrophobicContact CG2-SD 4.12Å; I26-L72 HydrophobicContact CD1-CB 4.46Å; I26-L72 HydrophobicContact CD1-CD1 3.55Å; I26-L72 HydrophobicContact CG1-CD1 4.05Å; I26-L73 HydrophobicContact CG2-CD1 3.65Å; I26-L73 HydrophobicContact CG2-CD2 4.28Å; I26-L73 HydrophobicContact CG2-CG 3.96Å; I26-W78 HydrophobicContact CD1-CH2 3.68Å; I26-W78 HydrophobicContact CD1-CZ2 4.3Å; I26-W78 HydrophobicContact CG2-CH2 4.27Å
27	A	95.3	Very high	94.8	Very high	52 Å²	52	50.3 Å²	50.3	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-62.3	-46.2	-176.1	0	0	0	0	0	111.7	T29 L30 G31 L73	A27-T29 PolarHBondContact O-N 2.75Å; A27-L30 PolarHBondContact O-N 2.65Å; A27-G31 PolarHBondContact O-N 2.76Å; A27-L73 HydrophobicContact CB-CD2 4.17Å
28	D	96.6	Very high	94.8	Very high	117 Å²	117	50.7 Å²	50.7	63%	0.626	30%	0.298	S	S	*	.	H	α-helix	trans	-64.6	-42.4	178.2	-68.2	-17.7	0	0	0	111.8	E25 G31 A32	E25-D28 HydrophobicContact CB-CB 4Å; D28-G31 PolarHBondContact O-N 3.06Å; D28-A32 WeakPolarHBondContact O-CB 3.39Å; D28-A32 PolarHBondContact O-N 3.08Å
29	T	96.5	Very high	94.7	Very high	25 Å²	25	51.7 Å²	51.7	15%	0.153	31%	0.305	C	S	.	.	H	α-helix	trans	-66.2	-43.3	178.3	-57.9	0	0	0	0	111	L20 V23 E25 I26 A27 G31 A32 V33 L41	L20-T29 HydrophobicContact CD1-CG2 3.38Å; V23-T29 HydrophobicContact CG1-CG2 3.94Å; V23-T29 HydrophobicContact CG2-CG2 4.27Å; E25-T29 WeakPolarHBondContact O-CB 3.25Å; E25-T29 PolarHBondContact O-N 2.99Å; E25-T29 PolarHBondContact O-OG1 3.17Å; I26-T29 PolarHBondContact O-N 2.73Å; A27-T29 PolarHBondContact O-N 2.75Å; T29-G31 VanDerWaalsContact C-N 3.33Å; T29-G31 PolarHBondContact O-N 3.35Å; T29-A32 PolarHBondContact O-N 3.38Å; T29-V33 HydrophobicContact CG2-CG2 4.35Å; T29-V33 WeakPolarHBondContact O-CB 3.43Å; T29-V33 VanDerWaalsContact O-CG2 3.27Å; T29-V33 WeakPolarHBondContact O-CG2 3.49Å; T29-V33 PolarHBondContact O-N 3.07Å; T29-L41 HydrophobicContact CG2-CD2 4.11Å
30	L	96.7	Very high	94.7	Very high	18 Å²	18	52 Å²	52	9%	0.094	31%	0.306	C	S	.	.	H	α-helix	trans	-60.9	-44.3	175.8	-177.4	62.1	0	0	0	110.9	I26 A27 A32 V33 A34 L41 L73 L81 I82	I26-L30 VanDerWaalsContact O-CB 3.27Å; I26-L30 WeakPolarHBondContact O-CB 3.49Å; I26-L30 PolarHBondContact O-N 3.29Å; A27-L30 PolarHBondContact O-N 2.65Å; L30-A32 VanDerWaalsContact C-N 3.35Å; L30-A32 PolarHBondContact O-N 3.07Å; L30-V33 PolarHBondContact O-N 3.41Å; L30-A34 WeakPolarHBondContact O-CB 3.36Å; L30-A34 PolarHBondContact O-N 3.27Å; L30-L41 HydrophobicContact CD1-CB 4.1Å; L30-L73 HydrophobicContact CD2-CD1 3.94Å; L30-L73 HydrophobicContact CD2-CD2 3.81Å; L30-L81 HydrophobicContact CD1-CB 4.02Å; L30-L81 HydrophobicContact CD2-CB 4.36Å; L30-L81 HydrophobicContact CD2-CD1 4.05Å; L30-I82 HydrophobicContact CD1-CD1 4.02Å; L30-I82 HydrophobicContact CD2-CD1 4.34Å
31	G	96.8	Very high	94.8	Very high	31 Å²	31	50.2 Å²	50.2	32%	0.32	30%	0.297	S	S	.	.	H	α-helix	trans	-62	-39.2	174.2	0	0	0	0	0	113.1	A27 D28 T29 K35	A27-G31 PolarHBondContact O-N 2.76Å; D28-G31 PolarHBondContact O-N 3.06Å; T29-G31 VanDerWaalsContact C-N 3.33Å; T29-G31 PolarHBondContact O-N 3.35Å; G31-K35 WeakPolarHBondContact O-CB 3.31Å; G31-K35 VanDerWaalsContact O-CG 3.25Å; G31-K35 WeakPolarHBondContact O-CG 3.43Å; G31-K35 PolarHBondContact O-N 3.19Å
32	A	95.6	Very high	95.2	Very high	44 Å²	44	45.3 Å²	45.3	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-67.5	-41	175.5	0	0	0	0	0	112.3	D28 T29 L30 K35 Q36	D28-A32 WeakPolarHBondContact O-CB 3.39Å; D28-A32 PolarHBondContact O-N 3.08Å; T29-A32 PolarHBondContact O-N 3.38Å; L30-A32 VanDerWaalsContact C-N 3.35Å; L30-A32 PolarHBondContact O-N 3.07Å; A32-K35 PolarHBondContact O-N 2.81Å; A32-Q36 WeakPolarHBondContact O-CG 3.47Å; A32-Q36 PolarHBondContact O-N 3.4Å; A32-Q36 VanDerWaalsContact O-N 3.1Å
33	V	96.2	Very high	95.5	Very high	6 Å²	6	42.2 Å²	42.2	4%	0.036	25%	0.249	C	C	.	.	H	α-helix	trans	-65.2	-42.9	176.3	166.6	0	0	0	0	111.1	R18 T29 L30 K35 Q36 G37 F38 L41	R18-V33 HydrophobicContact CB-CG1 3.69Å; R18-V33 HydrophobicContact CB-CG2 4.02Å; R18-V33 HydrophobicContact CG-CG1 4.48Å; R18-V33 HydrophobicContact CG-CG2 3.94Å; T29-V33 HydrophobicContact CG2-CG2 4.35Å; T29-V33 WeakPolarHBondContact O-CB 3.43Å; T29-V33 VanDerWaalsContact O-CG2 3.27Å; T29-V33 WeakPolarHBondContact O-CG2 3.49Å; T29-V33 PolarHBondContact O-N 3.07Å; L30-V33 PolarHBondContact O-N 3.41Å; V33-K35 PolarHBondContact O-N 3.18Å; V33-Q36 WeakPolarHBondContact O-CB 3.34Å; V33-Q36 PolarHBondContact O-N 3.16Å; V33-Q36 VanDerWaalsContact O-N 3.12Å; V33-G37 PolarHBondContact O-N 3Å; V33-F38 HydrophobicContact CG1-CB 3.52Å; V33-F38 HydrophobicContact CG1-CD2 4.13Å; V33-F38 HydrophobicContact CG1-CG 4.13Å; V33-F38 PolarHBondContact O-N 3.43Å; V33-L41 HydrophobicContact CG1-CB 4.47Å; V33-L41 HydrophobicContact CG2-CD1 4.15Å
34	A	95.9	Very high	95.6	Very high	60 Å²	60	42.2 Å²	42.2	50%	0.496	25%	0.25	S	C	.	.	H	α-helix	trans	-62.4	-41	174.1	0	0	0	0	0	112.1	L30 Q36 G37	L30-A34 WeakPolarHBondContact O-CB 3.36Å; L30-A34 PolarHBondContact O-N 3.27Å; A34-Q36 PolarHBondContact O-N 2.93Å; A34-G37 WeakPolarHBondContact O-CA 3.42Å; A34-G37 PolarHBondContact O-N 2.94Å
35	K	95.6	Very high	95.8	Very high	190 Å²	190	38.7 Å²	38.7	83%	0.826	23%	0.227	S	C	*	.	H	α-helix	trans	-63	-27.1	173.9	-75	170.9	-175.6	176.5	0	113.2	G31 A32 V33 G37	G31-K35 WeakPolarHBondContact O-CB 3.31Å; G31-K35 VanDerWaalsContact O-CG 3.25Å; G31-K35 WeakPolarHBondContact O-CG 3.43Å; G31-K35 PolarHBondContact O-N 3.19Å; A32-K35 PolarHBondContact O-N 2.81Å; V33-K35 PolarHBondContact O-N 3.18Å; K35-G37 PolarHBondContact O-N 3.43Å
36	Q	94.2	Very high	95.8	Very high	63 Å²	63	33.6 Å²	33.6	29%	0.294	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-4.4	173.3	-69.5	170.4	5.6	0	0	113.1	A32 V33 A34 F38 C278	A32-Q36 WeakPolarHBondContact O-CG 3.47Å; A32-Q36 PolarHBondContact O-N 3.4Å; A32-Q36 VanDerWaalsContact O-N 3.1Å; V33-Q36 WeakPolarHBondContact O-CB 3.34Å; V33-Q36 PolarHBondContact O-N 3.16Å; V33-Q36 VanDerWaalsContact O-N 3.12Å; A34-Q36 PolarHBondContact O-N 2.93Å; Q36-F38 HydrophobicContact CB-CD2 3.76Å; Q36-F38 HydrophobicContact CB-CE2 3.84Å; Q36-C278 VanDerWaalsContact O-CB 3.25Å; Q36-C278 WeakPolarHBondContact O-CB 3.27Å
37	G	94.1	Very high	95.5	Very high	21 Å²	21	34.4 Å²	34.4	22%	0.216	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	0.4	176.6	0	0	0	0	0	115.3	R13 V33 A34 K35 L281	R13-G37 PolarHBondContact NH2-O 3.2Å; V33-G37 PolarHBondContact O-N 3Å; A34-G37 WeakPolarHBondContact O-CA 3.42Å; A34-G37 PolarHBondContact O-N 2.94Å; K35-G37 PolarHBondContact O-N 3.43Å; G37-L281 WeakPolarHBondContact O-CD2 3.34Å
38	F	96.7	Very high	95.1	Very high	8 Å²	8	35 Å²	35	4%	0.035	21%	0.206	C	C	.	.			trans	-73.6	146.5	177.2	-65	-81	0	0	0	111.8	G17 R18 V33 Q36 I266 F277	G17-F38 VanDerWaalsContact C-CD1 3.47Å; G17-F38 WeakPolarHBondContact O-CD1 3.46Å; R18-F38 HydrophobicContact CB-CB 4.4Å; R18-F38 HydrophobicContact CB-CD1 4.12Å; R18-F38 HydrophobicContact CB-CD2 3.97Å; R18-F38 HydrophobicContact CB-CE1 4.44Å; R18-F38 HydrophobicContact CB-CE2 4.3Å; R18-F38 HydrophobicContact CB-CG 3.89Å; V33-F38 HydrophobicContact CG1-CB 3.52Å; V33-F38 HydrophobicContact CG1-CD2 4.13Å; V33-F38 HydrophobicContact CG1-CG 4.13Å; V33-F38 PolarHBondContact O-N 3.43Å; Q36-F38 HydrophobicContact CB-CD2 3.76Å; Q36-F38 HydrophobicContact CB-CE2 3.84Å; F38-I266 HydrophobicContact CE1-CB 3.98Å; F38-I266 HydrophobicContact CE1-CG1 3.77Å; F38-I266 HydrophobicContact CZ-CB 4.21Å; F38-I266 HydrophobicContact CZ-CG1 4.21Å; F38-F277 AromaticContact CE2-CD1 3.72Å; F38-F277 HydrophobicContact CE2-CD1 3.72Å; F38-F277 AromaticContact CE2-CE1 3.88Å; F38-F277 HydrophobicContact CE2-CE1 3.88Å; F38-F277 AromaticContact CZ-CD1 3.86Å; F38-F277 HydrophobicContact CZ-CD1 3.86Å; F38-F277 AromaticContact CZ-CE1 3.63Å; F38-F277 HydrophobicContact CZ-CE1 3.63Å
39	D	96.3	Very high	94.5	Very high	42 Å²	42	38 Å²	38	23%	0.225	21%	0.209	C	C	.	.	S	Bend	trans	-84.3	-28.3	179.8	-61.1	-61	0	0	0	113	R13 S15 S16 L81	R13-D39 IonicContact CZ-OD1 2.8Å; R13-D39 IonicContact NE-OD1 3.31Å; R13-D39 IonicContact NH1-OD1 3.94Å; R13-D39 PolarHBondContact NH1-OD1 3.47Å; R13-D39 IonicContact NH2-OD1 3.44Å; R13-D39 PolarHBondContact NH2-OD1 2.95Å; S15-D39 WeakPolarHBondContact CA-OD2 3.48Å; S16-D39 PolarHBondContact N-OD2 3.26Å; S16-D39 PolarHBondContact O-N 3.46Å; D39-L81 WeakPolarHBondContact O-CD2 3.42Å
40	F	97.8	Very high	94	Very high	11 Å²	11	39.2 Å²	39.2	5%	0.048	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	161.8	-179.3	63.1	-87.1	0	0	0	113.4	G17 R18 C42 L81 V83 W152 Q263 I265	G17-F40 CarbonylContact C-O 3.45Å; G17-F40 VanDerWaalsContact CA-CZ 3.5Å; G17-F40 VanDerWaalsContact CA-O 3.23Å; G17-F40 WeakPolarHBondContact CA-O 3.26Å; R18-F40 PolarHBondContact N-O 3.23Å; F40-C42 VanDerWaalsContact CE2-SG 3.57Å; F40-L81 CarbonylContact C-O 3.54Å; F40-L81 VanDerWaalsContact CA-O 3.24Å; F40-L81 WeakPolarHBondContact CA-O 3.4Å; F40-L81 VanDerWaalsContact CB-O 3.31Å; F40-L81 WeakPolarHBondContact CB-O 3.22Å; F40-V83 HydrophobicContact CD2-CB 4.28Å; F40-V83 HydrophobicContact CD2-CG2 3.52Å; F40-V83 HydrophobicContact CE2-CG2 3.76Å; F40-V83 HydrophobicContact CG-CG2 4.4Å; F40-W152 HydrophobicContact CE2-CZ3 4.23Å; F40-W152 HydrophobicContact CZ-CH2 4.49Å; F40-W152 HydrophobicContact CZ-CZ3 4.43Å; F40-Q263 HydrophobicContact CE1-CB 4.41Å; F40-Q263 HydrophobicContact CZ-CB 4.32Å; F40-Q263 VanDerWaalsContact CZ-OE1 3.28Å; F40-I265 HydrophobicContact CE2-CD1 4.3Å; F40-I265 HydrophobicContact CE2-CG1 4.02Å; F40-I265 HydrophobicContact CZ-CG1 3.96Å
41	L	98.2	Very high	93.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.3	177.3	171	66.1	0	0	0	110.2	L20 V23 T29 L30 V33 M43 L81 I82 V83	L20-L41 HydrophobicContact CB-CD1 4.27Å; L20-L41 HydrophobicContact CD1-CD1 3.65Å; L20-L41 HydrophobicContact CG-CD1 3.89Å; V23-L41 HydrophobicContact CG2-CD2 4.38Å; T29-L41 HydrophobicContact CG2-CD2 4.11Å; L30-L41 HydrophobicContact CD1-CB 4.1Å; V33-L41 HydrophobicContact CG1-CB 4.47Å; V33-L41 HydrophobicContact CG2-CD1 4.15Å; L41-M43 HydrophobicContact CD2-CB 4.34Å; L41-M43 HydrophobicContact CD2-CG 4.14Å; L41-M43 HydrophobicContact CD2-SD 3.87Å; L41-M43 HydrophobicContact CG-CB 4.14Å; L41-M43 HydrophobicContact CG-CG 4.18Å; L41-L81 PolarHBondContact N-O 2.56Å; L41-I82 HydrophobicContact CB-CD1 4.08Å; L41-I82 HydrophobicContact CD2-CD1 4.24Å; L41-I82 WeakPolarHBondContact O-CA 3.44Å; L41-V83 PolarHBondContact O-N 3.18Å
42	C	98.2	Very high	93	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	117.8	166.6	-56.4	0	0	0	0	109.3	R18 D19 L20 F40 V83 K85	R18-C42 PolarHBondContact O-N 3.47Å; D19-C42 HydrophobicContact CB-CB 4.29Å; L20-C42 PolarHBondContact N-O 3.48Å; F40-C42 VanDerWaalsContact CE2-SG 3.57Å; C42-V83 VanDerWaalsContact CA-O 3.3Å; C42-V83 WeakPolarHBondContact CA-O 3.11Å; C42-V83 HydrophobicContact CB-CB 4.39Å; C42-K85 HydrophobicContact CB-CD 4.08Å; C42-K85 HydrophobicContact CB-CG 4.38Å
43	M	96.4	Very high	92.8	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	152.8	-179	64.7	163.2	-170.8	0	0	113.5	V23 I26 L41 V45 W78 I82 V83 G84 K85	V23-M43 HydrophobicContact CB-CB 4.45Å; V23-M43 HydrophobicContact CB-SD 3.99Å; V23-M43 HydrophobicContact CG1-SD 3.94Å; V23-M43 HydrophobicContact CG2-CB 3.59Å; V23-M43 HydrophobicContact CG2-CG 4.39Å; V23-M43 HydrophobicContact CG2-SD 3.97Å; I26-M43 HydrophobicContact CD1-CE 3.98Å; I26-M43 HydrophobicContact CG1-CE 4.27Å; I26-M43 HydrophobicContact CG1-SD 4.38Å; I26-M43 HydrophobicContact CG2-CE 3.64Å; I26-M43 HydrophobicContact CG2-SD 4.12Å; L41-M43 HydrophobicContact CD2-CB 4.34Å; L41-M43 HydrophobicContact CD2-CG 4.14Å; L41-M43 HydrophobicContact CD2-SD 3.87Å; L41-M43 HydrophobicContact CG-CB 4.14Å; L41-M43 HydrophobicContact CG-CG 4.18Å; M43-V45 PolarHBondContact O-N 3.48Å; M43-W78 HydrophobicContact CE-CH2 3.86Å; M43-W78 HydrophobicContact CE-CZ3 3.52Å; M43-I82 HydrophobicContact CE-CD1 4.1Å; M43-I82 HydrophobicContact CE-CG1 4.46Å; M43-I82 HydrophobicContact CE-CG2 3.86Å; M43-I82 HydrophobicContact CG-CG2 4.35Å; M43-V83 PolarHBondContact N-O 3.2Å; M43-G84 CarbonylContact O-C 3.59Å; M43-K85 PolarHBondContact O-N 3.2Å
44	P	95	Very high	92.6	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.032	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	121.5	166.2	-21.1	33.5	0	0	0	110.2	L20 F46 R68 K85	L20-P44 WeakPolarHBondContact O-CD 3.32Å; P44-F46 WeakPolarHBondContact CB-O 3.31Å; P44-F46 PolarHBondContact O-N 2.81Å; P44-R68 PolarHBondContact O-NH2 3.19Å; P44-K85 HydrophobicContact CG-CB 4.42Å
45	V	92.3	Very high	92.4	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.024	22%	0.217	C	C	.	.	S	Bend	trans	-65.9	-32.7	176.2	-172.7	0	0	0	0	109.6	M43 T67 F113 L117 L119 F122	M43-V45 PolarHBondContact O-N 3.48Å; V45-T67 PolarHBondContact O-OG1 2.92Å; V45-F113 HydrophobicContact CG1-CD1 3.55Å; V45-F113 HydrophobicContact CG1-CE1 3.75Å; V45-L117 HydrophobicContact CG1-CD1 3.72Å; V45-L119 HydrophobicContact CG2-CD1 3.76Å; V45-F122 HydrophobicContact CG2-CE2 4.08Å
46	F	93.4	Very high	92	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.026	20%	0.2	C	C	.	.	S	Bend	trans	-95.1	118.3	174.4	-78.4	-118.8	0	0	0	110.2	P44 Q66 T67 Q109 E110 F113	P44-F46 WeakPolarHBondContact CB-O 3.31Å; P44-F46 PolarHBondContact O-N 2.81Å; F46-Q66 WeakPolarHBondContact CD1-O 3.44Å; F46-Q66 HydrophobicContact CE1-CB 4.11Å; F46-Q66 VanDerWaalsContact CE1-O 3.26Å; F46-Q66 WeakPolarHBondContact CE1-O 3.24Å; F46-T67 WeakPolarHBondContact CA-OG1 3.23Å; F46-T67 HydrophobicContact CD1-CG2 4.45Å; F46-T67 HydrophobicContact CD2-CG2 4.19Å; F46-T67 HydrophobicContact CE1-CG2 4.08Å; F46-T67 HydrophobicContact CE2-CG2 3.78Å; F46-T67 HydrophobicContact CG-CG2 4.5Å; F46-T67 HydrophobicContact CZ-CG2 3.72Å; F46-Q109 HydrophobicContact CE1-CG 4.01Å; F46-Q109 HydrophobicContact CZ-CG 3.84Å; F46-E110 HydrophobicContact CB-CG 4.31Å; F46-E110 WeakPolarHBondContact CB-OE1 3.37Å; F46-E110 HydrophobicContact CD1-CG 4.18Å; F46-E110 HydrophobicContact CD2-CB 4.15Å; F46-E110 HydrophobicContact CD2-CG 3.56Å; F46-E110 HydrophobicContact CE1-CG 4.43Å; F46-E110 HydrophobicContact CE2-CB 4.2Å; F46-E110 HydrophobicContact CE2-CG 3.87Å; F46-E110 HydrophobicContact CG-CG 3.75Å; F46-E110 HydrophobicContact CZ-CG 4.3Å; F46-F113 HydrophobicContact CE2-CB 3.83Å; F46-F113 AromaticContact CE2-CD1 3.76Å; F46-F113 HydrophobicContact CE2-CD1 3.76Å; F46-F113 HydrophobicContact CE2-CG 4.04Å; F46-F113 HydrophobicContact CZ-CB 4.17Å; F46-F113 HydrophobicContact CZ-CD1 4.41Å; F46-F113 HydrophobicContact CZ-CG 4.37Å
47	H	88.5	Confident	91.8	Very high	19 Å²	19	44.2 Å²	44.2	9%	0.088	21%	0.208	C	C	.	.			trans	-70.4	139.2	177	178.9	-67.6	0	0	0	109.8	R49 F50	H47-R49 PolarHBondContact CE1-NE 2.93Å; H47-R49 WeakPolarHBondContact ND1-CB 3.39Å; H47-R49 PolarHBondContact ND1-N 3.4Å; H47-R49 VanDerWaalsContact ND1-N 3.16Å; H47-R49 PolarHBondContact O-N 3.33Å; H47-F50 HydrophobicContact CB-CD2 3.79Å; H47-F50 HydrophobicContact CB-CE2 4.08Å; H47-F50 WeakPolarHBondContact O-CB 3.47Å; H47-F50 PolarHBondContact O-N 2.86Å
48	P	85.3	Confident	91.6	Very high	65 Å²	65	48.6 Å²	48.6	42%	0.422	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-51.2	-34	-174.6	-31.3	35.3	0	0	0	116	F50 K51	P48-F50 PolarHBondContact O-N 2.9Å; P48-K51 WeakPolarHBondContact O-CB 3.49Å; P48-K51 PolarHBondContact O-N 2.77Å; P48-K51 VanDerWaalsContact O-N 3.08Å
49	R	85.1	Confident	91.2	Very high	181 Å²	181	50.5 Å²	50.5	68%	0.683	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-58.3	-20.8	172.9	-71.2	-176.1	-62.1	171.7	-1.8	115.1	H47 R62	H47-R49 PolarHBondContact CE1-NE 2.93Å; H47-R49 WeakPolarHBondContact ND1-CB 3.39Å; H47-R49 PolarHBondContact ND1-N 3.4Å; H47-R49 VanDerWaalsContact ND1-N 3.16Å; H47-R49 PolarHBondContact O-N 3.33Å; R49-R62 PolarHBondContact O-NH1 3.37Å
50	F	85.8	Confident	90.9	Very high	49 Å²	49	53.1 Å²	53.1	22%	0.215	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-93.3	12.3	176.4	-62.7	-76	0	0	0	113.5	H47 P48 R52 P65 Q66 R68	H47-F50 HydrophobicContact CB-CD2 3.79Å; H47-F50 HydrophobicContact CB-CE2 4.08Å; H47-F50 WeakPolarHBondContact O-CB 3.47Å; H47-F50 PolarHBondContact O-N 2.86Å; P48-F50 PolarHBondContact O-N 2.9Å; F50-R52 WeakPolarHBondContact O-CG 3.48Å; F50-R52 PolarHBondContact O-N 3.29Å; F50-R52 VanDerWaalsContact O-N 3.17Å; F50-P65 HydrophobicContact CE1-CG 4.42Å; F50-Q66 VanDerWaalsContact CB-O 3.31Å; F50-Q66 WeakPolarHBondContact CB-O 3.44Å; F50-R68 HydrophobicContact CE2-CG 4.02Å
51	K	87.8	Confident	90.5	Very high	118 Å²	118	57.6 Å²	57.6	51%	0.513	29%	0.285	S	S	.	.			trans	-46.3	126.6	172.2	179.7	172.4	-177.7	-178.7	0	110.8	P48 W89	P48-K51 WeakPolarHBondContact O-CB 3.49Å; P48-K51 PolarHBondContact O-N 2.77Å; P48-K51 VanDerWaalsContact O-N 3.08Å; K51-W89 HydrophobicContact CB-CZ2 4.32Å; K51-W89 HydrophobicContact CD-CD2 3.97Å; K51-W89 HydrophobicContact CD-CE3 4.38Å; K51-W89 HydrophobicContact CD-CG 4.12Å; K51-W89 HydrophobicContact CG-CD2 3.98Å; K51-W89 HydrophobicContact CG-CE3 4.34Å; K51-W89 HydrophobicContact CG-CH2 4.15Å; K51-W89 HydrophobicContact CG-CZ2 3.82Å; K51-W89 HydrophobicContact CG-CZ3 4.41Å
52	R	84.7	Confident	90.1	Very high	38 Å²	38	63.5 Å²	63.5	14%	0.143	31%	0.307	C	S	.	.			trans	-106.4	152	-176.4	-65.7	-60.4	-63	-165.4	3.4	111.3	F50 F54 K60 R62	F50-R52 WeakPolarHBondContact O-CG 3.48Å; F50-R52 PolarHBondContact O-N 3.29Å; F50-R52 VanDerWaalsContact O-N 3.17Å; R52-F54 HydrophobicContact CB-CD2 4.18Å; R52-F54 HydrophobicContact CB-CE2 3.46Å; R52-F54 VanDerWaalsContact CB-CE2 3.46Å; R52-F54 HydrophobicContact CB-CZ 3.7Å; R52-F54 HydrophobicContact CG-CE2 4.46Å; R52-F54 HydrophobicContact CG-CZ 4.25Å; R52-K60 PolarHBondContact NH2-O 3.12Å; R52-K60 VanDerWaalsContact NH2-O 3.17Å; R52-R62 PolarHBondContact NH1-O 3.37Å; R52-R62 PolarHBondContact NH2-O 2.7Å
53	E	91.4	Very high	89.7	Confident	37 Å²	37	69.1 Å²	69.1	17%	0.173	34%	0.343	C	S	.	.			trans	-114.1	140.8	163	171.1	67.7	-126.1	0	0	105.9	I55 Q56 A59 K60 K98 N102	E53-I55 WeakPolarHBondContact OE1-CB 3.48Å; E53-I55 PolarHBondContact OE1-N 2.92Å; E53-I55 VanDerWaalsContact OE1-N 3.1Å; E53-Q56 HydrophobicContact CG-CB 4.15Å; E53-Q56 PolarHBondContact OE1-N 3.44Å; E53-A59 HydrophobicContact CB-CB 3.83Å; E53-A59 HydrophobicContact CG-CB 3.92Å; E53-K60 WeakPolarHBondContact O-CA 3.46Å; E53-K98 WeakPolarHBondContact OE2-CE 3.42Å; E53-K98 IonicContact OE2-NZ 3.62Å; E53-N102 VanDerWaalsContact CD-ND2 3.33Å; E53-N102 VanDerWaalsContact OE1-CG 3.27Å; E53-N102 PolarHBondContact OE1-ND2 2.92Å; E53-N102 PolarHBondContact OE1-OD1 2.66Å; E53-N102 PolarHBondContact OE2-ND2 3.18Å
54	F	92.4	Very high	89.3	Confident	51 Å²	51	71.8 Å²	71.8	22%	0.224	37%	0.37	C	S	.	.	S	Bend	trans	-120.2	-9.5	-174.1	-66.9	-92.4	0	0	0	112.5	R52 K60 N102 A105 A106 Q109	R52-F54 HydrophobicContact CB-CD2 4.18Å; R52-F54 HydrophobicContact CB-CE2 3.46Å; R52-F54 VanDerWaalsContact CB-CE2 3.46Å; R52-F54 HydrophobicContact CB-CZ 3.7Å; R52-F54 HydrophobicContact CG-CE2 4.46Å; R52-F54 HydrophobicContact CG-CZ 4.25Å; F54-K60 VanDerWaalsContact O-CD 3.25Å; F54-K60 WeakPolarHBondContact O-CD 3.5Å; F54-K60 WeakPolarHBondContact O-CE 3.49Å; F54-K60 WeakPolarHBondContact O-CG 3.49Å; F54-N102 PolarHBondContact N-OD1 2.89Å; F54-A105 HydrophobicContact CB-CB 3.92Å; F54-A105 HydrophobicContact CD1-CB 3.83Å; F54-A105 HydrophobicContact CD2-CB 3.87Å; F54-A105 HydrophobicContact CE1-CB 4.27Å; F54-A105 HydrophobicContact CE2-CB 4.32Å; F54-A105 HydrophobicContact CG-CB 3.6Å; F54-A106 HydrophobicContact CE2-CB 3.75Å; F54-A106 HydrophobicContact CZ-CB 4.4Å; F54-Q109 HydrophobicContact CZ-CB 4.49Å
55	I	90.6	Very high	89.1	Confident	72 Å²	72	76.1 Å²	76.1	37%	0.369	40%	0.399	S	S	.	.	S	Bend	trans	-114.6	-53	-171.6	-52	175.5	0	0	0	110.6	E53 R101 N102	E53-I55 WeakPolarHBondContact OE1-CB 3.48Å; E53-I55 PolarHBondContact OE1-N 2.92Å; E53-I55 VanDerWaalsContact OE1-N 3.1Å; I55-R101 HydrophobicContact CD1-CB 3.42Å; I55-R101 VanDerWaalsContact CD1-CB 3.42Å; I55-N102 HydrophobicContact CD1-CB 4.5Å; I55-N102 WeakPolarHBondContact CD1-ND2 3.47Å
56	Q	89.1	Confident	88.9	Confident	98 Å²	98	80.8 Å²	80.8	46%	0.458	42%	0.42	S	S	.	.	S	Bend	trans	-91.1	129.8	-170.5	-68.9	-168.5	-11.4	0	0	113.7	E53 A59 K60 K98	E53-Q56 HydrophobicContact CG-CB 4.15Å; E53-Q56 PolarHBondContact OE1-N 3.44Å; Q56-A59 PolarHBondContact O-N 3.2Å; Q56-K60 WeakPolarHBondContact O-CB 3.3Å; Q56-K60 PolarHBondContact O-N 2.93Å; Q56-K98 HydrophobicContact CG-CD 4.5Å
57	E	89.7	Confident	88.9	Confident	103 Å²	103	81 Å²	81	48%	0.481	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	150.1	168	-64.2	-60.9	165.3	0	0	111.7	A59 K60 N61	E57-A59 VanDerWaalsContact C-N 3.34Å; E57-K60 WeakPolarHBondContact OE1-CD 3.36Å; E57-N61 PolarHBondContact OE1-ND2 2.71Å; E57-N61 PolarHBondContact OE2-ND2 2.91Å
58	P	89.5	Confident	89	Confident	113 Å²	113	81.8 Å²	81.8	73%	0.734	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.9	-4.8	-1.8	34.8	-35.6	0	0	0	113.4	K60 N61	P58-K60 VanDerWaalsContact C-N 3.27Å; P58-K60 PolarHBondContact O-N 2.93Å; P58-N61 PolarHBondContact O-N 2.96Å; P58-N61 VanDerWaalsContact O-N 3.09Å
59	A	88.7	Confident	89.4	Confident	49 Å²	49	81.6 Å²	81.6	41%	0.405	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-64	-31	-171	0	0	0	0	0	113.2	E53 Q56 E57 N61 R62	E53-A59 HydrophobicContact CB-CB 3.83Å; E53-A59 HydrophobicContact CG-CB 3.92Å; Q56-A59 PolarHBondContact O-N 3.2Å; E57-A59 VanDerWaalsContact C-N 3.34Å; A59-N61 PolarHBondContact O-N 2.76Å; A59-R62 VanDerWaalsContact O-CB 3.31Å; A59-R62 WeakPolarHBondContact O-CB 3.33Å; A59-R62 PolarHBondContact O-N 3.24Å; A59-R62 VanDerWaalsContact O-N 3.14Å
60	K	89.4	Confident	89.8	Confident	96 Å²	96	75.2 Å²	75.2	42%	0.417	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-52	-43.4	171.5	-179	179.8	175.8	-168.4	0	112.5	R52 E53 F54 Q56 E57 P58 R62	R52-K60 PolarHBondContact NH2-O 3.12Å; R52-K60 VanDerWaalsContact NH2-O 3.17Å; E53-K60 WeakPolarHBondContact O-CA 3.46Å; F54-K60 VanDerWaalsContact O-CD 3.25Å; F54-K60 WeakPolarHBondContact O-CD 3.5Å; F54-K60 WeakPolarHBondContact O-CE 3.49Å; F54-K60 WeakPolarHBondContact O-CG 3.49Å; Q56-K60 WeakPolarHBondContact O-CB 3.3Å; Q56-K60 PolarHBondContact O-N 2.93Å; E57-K60 WeakPolarHBondContact OE1-CD 3.36Å; P58-K60 VanDerWaalsContact C-N 3.27Å; P58-K60 PolarHBondContact O-N 2.93Å; K60-R62 VanDerWaalsContact C-N 3.32Å; K60-R62 PolarHBondContact O-N 3.08Å
61	N	89	Confident	90.3	Very high	106 Å²	106	79.9 Å²	79.9	57%	0.567	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-90.3	17.2	-178	-68.2	-34.7	0	0	0	114	E57 P58 A59 P63	E57-N61 PolarHBondContact OE1-ND2 2.71Å; E57-N61 PolarHBondContact OE2-ND2 2.91Å; P58-N61 PolarHBondContact O-N 2.96Å; P58-N61 VanDerWaalsContact O-N 3.09Å; A59-N61 PolarHBondContact O-N 2.76Å; N61-P63 WeakPolarHBondContact O-CD 3.36Å; N61-P63 VanDerWaalsContact O-N 3.08Å
62	R	89.2	Confident	90.6	Very high	124 Å²	124	77.5 Å²	77.5	47%	0.468	42%	0.423	S	S	.	.			trans	-52	118.5	175.5	178.5	-179.3	177.9	-169.9	-0.8	110	R49 R52 A59 K60	R49-R62 PolarHBondContact O-NH1 3.37Å; R52-R62 PolarHBondContact NH1-O 3.37Å; R52-R62 PolarHBondContact NH2-O 2.7Å; A59-R62 VanDerWaalsContact O-CB 3.31Å; A59-R62 WeakPolarHBondContact O-CB 3.33Å; A59-R62 PolarHBondContact O-N 3.24Å; A59-R62 VanDerWaalsContact O-N 3.14Å; K60-R62 VanDerWaalsContact C-N 3.32Å; K60-R62 PolarHBondContact O-N 3.08Å
63	P	89.6	Confident	91.1	Very high	117 Å²	117	76.7 Å²	76.7	76%	0.76	42%	0.421	S	S	*	.			trans	-73.3	165.4	-180	30.8	-35.4	0	0	0	111.4	N61	N61-P63 WeakPolarHBondContact O-CD 3.36Å; N61-P63 VanDerWaalsContact O-N 3.08Å
64	G	89.9	Confident	91.3	Very high	56 Å²	56	77.6 Å²	77.6	58%	0.577	43%	0.432	S	S	*	.	S	Bend	trans	102.8	174.8	176.5	0	0	0	0	0	114.4
65	P	90.3	Very high	91.5	Very high	96 Å²	96	77.8 Å²	77.8	62%	0.623	45%	0.448	S	S	*	.			trans	-66.1	151	-176.7	28.9	-35.7	0	0	0	111.9	F50	F50-P65 HydrophobicContact CE1-CG 4.42Å
66	Q	88	Confident	91.8	Very high	102 Å²	102	83.7 Å²	83.7	48%	0.477	47%	0.466	S	S	.	.	S	Bend	trans	-78.2	-28.5	-177.5	-61.3	174	5	0	0	112.3	F46 F50	F46-Q66 WeakPolarHBondContact CD1-O 3.44Å; F46-Q66 HydrophobicContact CE1-CB 4.11Å; F46-Q66 VanDerWaalsContact CE1-O 3.26Å; F46-Q66 WeakPolarHBondContact CE1-O 3.24Å; F50-Q66 VanDerWaalsContact CB-O 3.31Å; F50-Q66 WeakPolarHBondContact CB-O 3.44Å
67	T	92.8	Very high	92.1	Very high	11 Å²	11	81.4 Å²	81.4	7%	0.067	46%	0.457	C	S	.	.	S	Bend	trans	-156.6	-169	173.6	-172.3	0	0	0	0	109	V45 F46 F113	V45-T67 PolarHBondContact O-OG1 2.92Å; F46-T67 WeakPolarHBondContact CA-OG1 3.23Å; F46-T67 HydrophobicContact CD1-CG2 4.45Å; F46-T67 HydrophobicContact CD2-CG2 4.19Å; F46-T67 HydrophobicContact CE1-CG2 4.08Å; F46-T67 HydrophobicContact CE2-CG2 3.78Å; F46-T67 HydrophobicContact CG-CG2 4.5Å; F46-T67 HydrophobicContact CZ-CG2 3.72Å; T67-F113 HydrophobicContact CG2-CD1 3.68Å; T67-F113 HydrophobicContact CG2-CE1 3.32Å; T67-F113 HydrophobicContact CG2-CE2 4.27Å; T67-F113 HydrophobicContact CG2-CG 4.28Å; T67-F113 HydrophobicContact CG2-CZ 3.66Å
68	R	90.9	Very high	92.5	Very high	36 Å²	36	76.9 Å²	76.9	14%	0.136	44%	0.435	C	S	.	.			trans	-68.3	158.7	176.5	-64.4	174.8	-72.7	-173.4	0.2	111.9	V23 P24 P44 F50 L72	V23-R68 PolarHBondContact O-NH1 2.9Å; P24-R68 PolarHBondContact O-NH1 3.29Å; P44-R68 PolarHBondContact O-NH2 3.19Å; F50-R68 HydrophobicContact CE2-CG 4.02Å; R68-L72 HydrophobicContact CB-CD1 3.67Å; R68-L72 HydrophobicContact CG-CD1 4.34Å
69	S	93.7	Very high	92.8	Very high	61 Å²	61	75.4 Å²	75.4	43%	0.427	42%	0.421	S	S	.	.			trans	-63	141.9	177.7	-170.6	0	0	0	0	111.7	L71 L72	S69-L71 PolarHBondContact O-N 3.5Å; S69-L71 PolarHBondContact OG-N 3.08Å; S69-L72 VanDerWaalsContact O-CG 3.3Å; S69-L72 WeakPolarHBondContact O-CG 3.43Å; S69-L72 PolarHBondContact O-N 3.44Å
70	D	94	Very high	93.1	Very high	47 Å²	47	76.5 Å²	76.5	25%	0.251	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-63.7	-31.1	169.1	59.9	-29	0	0	0	111.8	L72 L73 W78 Y116 L117	D70-L72 PolarHBondContact O-N 3.44Å; D70-L73 PolarHBondContact O-N 2.8Å; D70-L73 VanDerWaalsContact O-O 3.13Å; D70-W78 PolarHBondContact O-NE1 2.92Å; D70-Y116 HydrophobicContact CB-CE1 4Å; D70-Y116 WeakPolarHBondContact OD2-CE1 3.43Å; D70-Y116 PolarHBondContact OD2-OH 2.89Å; D70-L117 HydrophobicContact CB-CD2 3.51Å
71	L	95.2	Very high	93.5	Very high	146 Å²	146	74.2 Å²	74.2	76%	0.764	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-62.6	-3.9	178.2	-56.2	179.4	0	0	0	114.9	S69 L73	S69-L71 PolarHBondContact O-N 3.5Å; S69-L71 PolarHBondContact OG-N 3.08Å; L71-L73 PolarHBondContact O-N 3.41Å
72	L	94.1	Very high	93.9	Very high	69 Å²	69	69.2 Å²	69.2	36%	0.361	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-65.8	-25.1	175.1	-70.6	179.4	0	0	0	113.2	I26 R68 S69 D70	I26-L72 HydrophobicContact CD1-CB 4.46Å; I26-L72 HydrophobicContact CD1-CD1 3.55Å; I26-L72 HydrophobicContact CG1-CD1 4.05Å; R68-L72 HydrophobicContact CB-CD1 3.67Å; R68-L72 HydrophobicContact CG-CD1 4.34Å; S69-L72 VanDerWaalsContact O-CG 3.3Å; S69-L72 WeakPolarHBondContact O-CG 3.43Å; S69-L72 PolarHBondContact O-N 3.44Å; D70-L72 PolarHBondContact O-N 3.44Å
73	L	96	Very high	94.4	Very high	21 Å²	21	63.5 Å²	63.5	11%	0.11	37%	0.367	C	S	.	.	S	Bend	trans	-135.9	161.6	174.6	-59.9	176.5	0	0	0	109.9	I26 A27 L30 D70 L71 D77 W78 I82	I26-L73 HydrophobicContact CG2-CD1 3.65Å; I26-L73 HydrophobicContact CG2-CD2 4.28Å; I26-L73 HydrophobicContact CG2-CG 3.96Å; A27-L73 HydrophobicContact CB-CD2 4.17Å; L30-L73 HydrophobicContact CD2-CD1 3.94Å; L30-L73 HydrophobicContact CD2-CD2 3.81Å; D70-L73 PolarHBondContact O-N 2.8Å; D70-L73 VanDerWaalsContact O-O 3.13Å; L71-L73 PolarHBondContact O-N 3.41Å; L73-D77 HydrophobicContact CB-CB 4.08Å; L73-D77 HydrophobicContact CD1-CB 4.43Å; L73-W78 HydrophobicContact CB-CD2 4.18Å; L73-W78 HydrophobicContact CB-CG 4.3Å; L73-W78 HydrophobicContact CB-CZ2 4.17Å; L73-W78 HydrophobicContact CD1-CD2 3.94Å; L73-W78 HydrophobicContact CD1-CE3 3.99Å; L73-W78 HydrophobicContact CD1-CH2 4.08Å; L73-W78 HydrophobicContact CD1-CZ2 4.01Å; L73-W78 HydrophobicContact CD1-CZ3 4.07Å; L73-W78 HydrophobicContact CG-CZ2 4.1Å; L73-W78 PolarHBondContact O-NE1 3.21Å; L73-I82 HydrophobicContact CD1-CD1 4.08Å; L73-I82 HydrophobicContact CD1-CG1 3.9Å
74	S	96.3	Very high	94.8	Very high	55 Å²	55	57.9 Å²	57.9	39%	0.385	33%	0.331	S	S	.	.			trans	-68.5	154.5	170	75.9	0	0	0	0	110.7	R76 D77 W78	S74-R76 PolarHBondContact O-N 3.44Å; S74-D77 WeakPolarHBondContact CB-OD2 3.38Å; S74-D77 PolarHBondContact O-N 2.76Å; S74-D77 PolarHBondContact OG-N 3.38Å; S74-D77 VanDerWaalsContact OG-N 3.15Å; S74-D77 PolarHBondContact OG-OD2 2.93Å; S74-W78 VanDerWaalsContact O-CD1 3.27Å; S74-W78 PolarHBondContact O-N 3.34Å; S74-W78 VanDerWaalsContact O-N 3.09Å
75	G	95.1	Very high	95.1	Very high	56 Å²	56	55.8 Å²	55.8	58%	0.577	31%	0.306	S	S	*	.	H	α-helix	trans	-57.4	-30.8	174.3	0	0	0	0	0	113	N79	G75-N79 VanDerWaalsContact O-CB 3.27Å; G75-N79 WeakPolarHBondContact O-CB 3.34Å; G75-N79 PolarHBondContact O-N 2.93Å; G75-N79 VanDerWaalsContact O-N 3.08Å
76	R	96.6	Very high	95.4	Very high	196 Å²	196	51.7 Å²	51.7	74%	0.74	28%	0.278	S	S	*	.	H	α-helix	trans	-64.5	-48.3	173.4	-177.7	-179.3	178.8	178.3	0	111.3	S74 W78 N79 T80	S74-R76 PolarHBondContact O-N 3.44Å; R76-W78 VanDerWaalsContact C-N 3.34Å; R76-W78 PolarHBondContact O-N 2.94Å; R76-N79 PolarHBondContact O-N 2.88Å; R76-N79 VanDerWaalsContact O-N 3.12Å; R76-T80 HydrophobicContact CG-CG2 4.48Å; R76-T80 PolarHBondContact O-N 2.96Å; R76-T80 PolarHBondContact O-OG1 2.88Å
77	D	97.2	Very high	95.7	Very high	49 Å²	49	47 Å²	47	26%	0.262	26%	0.257	S	S	.	.	H	α-helix	trans	-65.1	-39.3	-177.9	-61	-39	0	0	0	111.6	L73 S74 N79 T80 L81	L73-D77 HydrophobicContact CB-CB 4.08Å; L73-D77 HydrophobicContact CD1-CB 4.43Å; S74-D77 WeakPolarHBondContact CB-OD2 3.38Å; S74-D77 PolarHBondContact O-N 2.76Å; S74-D77 PolarHBondContact OG-N 3.38Å; S74-D77 VanDerWaalsContact OG-N 3.15Å; S74-D77 PolarHBondContact OG-OD2 2.93Å; D77-N79 VanDerWaalsContact C-N 3.32Å; D77-N79 PolarHBondContact O-N 3.47Å; D77-T80 PolarHBondContact O-N 3.46Å; D77-L81 HydrophobicContact CB-CD1 4.16Å; D77-L81 WeakPolarHBondContact O-CA 3.16Å; D77-L81 WeakPolarHBondContact O-CB 3.3Å; D77-L81 PolarHBondContact O-N 3.21Å
78	W	97.2	Very high	95.7	Very high	9 Å²	9	51 Å²	51	3%	0.034	28%	0.283	C	S	.	.	H	α-helix	trans	-58.3	-45.4	171	-73.4	121	0	0	0	112	I26 M43 D70 L73 S74 R76 I82 L117 L119 P120	I26-W78 HydrophobicContact CD1-CH2 3.68Å; I26-W78 HydrophobicContact CD1-CZ2 4.3Å; I26-W78 HydrophobicContact CG2-CH2 4.27Å; M43-W78 HydrophobicContact CE-CH2 3.86Å; M43-W78 HydrophobicContact CE-CZ3 3.52Å; D70-W78 PolarHBondContact O-NE1 2.92Å; L73-W78 HydrophobicContact CB-CD2 4.18Å; L73-W78 HydrophobicContact CB-CG 4.3Å; L73-W78 HydrophobicContact CB-CZ2 4.17Å; L73-W78 HydrophobicContact CD1-CD2 3.94Å; L73-W78 HydrophobicContact CD1-CE3 3.99Å; L73-W78 HydrophobicContact CD1-CH2 4.08Å; L73-W78 HydrophobicContact CD1-CZ2 4.01Å; L73-W78 HydrophobicContact CD1-CZ3 4.07Å; L73-W78 HydrophobicContact CG-CZ2 4.1Å; L73-W78 PolarHBondContact O-NE1 3.21Å; S74-W78 VanDerWaalsContact O-CD1 3.27Å; S74-W78 PolarHBondContact O-N 3.34Å; S74-W78 VanDerWaalsContact O-N 3.09Å; R76-W78 VanDerWaalsContact C-N 3.34Å; R76-W78 PolarHBondContact O-N 2.94Å; W78-I82 HydrophobicContact CE3-CB 4.03Å; W78-I82 HydrophobicContact CE3-CG1 3.72Å; W78-I82 HydrophobicContact CE3-CG2 4.07Å; W78-I82 HydrophobicContact CZ3-CB 4.39Å; W78-I82 HydrophobicContact CZ3-CG1 4.01Å; W78-I82 HydrophobicContact CZ3-CG2 4.02Å; W78-L117 HydrophobicContact CB-CB 4.46Å; W78-L117 WeakPolarHBondContact CB-O 3.47Å; W78-L117 HydrophobicContact CD2-CD1 4.15Å; W78-L117 HydrophobicContact CD2-CD2 4.21Å; W78-L117 HydrophobicContact CE3-CD1 3.97Å; W78-L117 HydrophobicContact CG-CB 4.43Å; W78-L117 HydrophobicContact CG-CD2 4.31Å; W78-L117 HydrophobicContact CH2-CD1 4.29Å; W78-L117 HydrophobicContact CZ2-CD1 4.47Å; W78-L117 HydrophobicContact CZ3-CD1 4.04Å; W78-L119 HydrophobicContact CE3-CD2 3.96Å; W78-L119 WeakPolarHBondContact O-CD2 3.31Å; W78-P120 WeakPolarHBondContact O-CD 3.39Å
79	N	95.7	Very high	95.8	Very high	82 Å²	82	51.9 Å²	51.9	44%	0.439	29%	0.287	S	S	.	.	H	α-helix	trans	-72.8	-25.1	-176.5	-176.2	-103.3	0	0	0	114.1	G75 R76 D77 G118 P120	G75-N79 VanDerWaalsContact O-CB 3.27Å; G75-N79 WeakPolarHBondContact O-CB 3.34Å; G75-N79 PolarHBondContact O-N 2.93Å; G75-N79 VanDerWaalsContact O-N 3.08Å; R76-N79 PolarHBondContact O-N 2.88Å; R76-N79 VanDerWaalsContact O-N 3.12Å; D77-N79 VanDerWaalsContact C-N 3.32Å; D77-N79 PolarHBondContact O-N 3.47Å; N79-G118 WeakPolarHBondContact CA-O 3.5Å; N79-G118 PolarHBondContact ND2-O 2.88Å; N79-P120 WeakPolarHBondContact O-CB 3.24Å; N79-P120 VanDerWaalsContact O-CD 3.23Å; N79-P120 WeakPolarHBondContact O-CD 3.41Å; N79-P120 VanDerWaalsContact O-CG 3.3Å; N79-P120 WeakPolarHBondContact O-CG 3.43Å
80	T	95.7	Very high	95.8	Very high	71 Å²	71	49.4 Å²	49.4	44%	0.436	27%	0.268	S	S	.	.	H	α-helix	trans	-114.8	-27.4	-173.8	60.8	0	0	0	0	115	R76 D77	R76-T80 HydrophobicContact CG-CG2 4.48Å; R76-T80 PolarHBondContact O-N 2.96Å; R76-T80 PolarHBondContact O-OG1 2.88Å; D77-T80 PolarHBondContact O-N 3.46Å
81	L	97.6	Very high	95.9	Very high	49 Å²	49	53.6 Å²	53.6	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-115.4	-7.2	-167.2	-52.7	178	0	0	0	114.3	L30 D39 F40 L41 D77	L30-L81 HydrophobicContact CD1-CB 4.02Å; L30-L81 HydrophobicContact CD2-CB 4.36Å; L30-L81 HydrophobicContact CD2-CD1 4.05Å; D39-L81 WeakPolarHBondContact O-CD2 3.42Å; F40-L81 CarbonylContact C-O 3.54Å; F40-L81 VanDerWaalsContact CA-O 3.24Å; F40-L81 WeakPolarHBondContact CA-O 3.4Å; F40-L81 VanDerWaalsContact CB-O 3.31Å; F40-L81 WeakPolarHBondContact CB-O 3.22Å; L41-L81 PolarHBondContact N-O 2.56Å; D77-L81 HydrophobicContact CB-CD1 4.16Å; D77-L81 WeakPolarHBondContact O-CA 3.16Å; D77-L81 WeakPolarHBondContact O-CB 3.3Å; D77-L81 PolarHBondContact O-N 3.21Å
82	I	98	Very high	96	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126	-174.8	-57.3	-58.8	0	0	0	111.2	L30 L41 M43 L73 W78 L119 P120	L30-I82 HydrophobicContact CD1-CD1 4.02Å; L30-I82 HydrophobicContact CD2-CD1 4.34Å; L41-I82 HydrophobicContact CB-CD1 4.08Å; L41-I82 HydrophobicContact CD2-CD1 4.24Å; L41-I82 WeakPolarHBondContact O-CA 3.44Å; M43-I82 HydrophobicContact CE-CD1 4.1Å; M43-I82 HydrophobicContact CE-CG1 4.46Å; M43-I82 HydrophobicContact CE-CG2 3.86Å; M43-I82 HydrophobicContact CG-CG2 4.35Å; L73-I82 HydrophobicContact CD1-CD1 4.08Å; L73-I82 HydrophobicContact CD1-CG1 3.9Å; W78-I82 HydrophobicContact CE3-CB 4.03Å; W78-I82 HydrophobicContact CE3-CG1 3.72Å; W78-I82 HydrophobicContact CE3-CG2 4.07Å; W78-I82 HydrophobicContact CZ3-CB 4.39Å; W78-I82 HydrophobicContact CZ3-CG1 4.01Å; W78-I82 HydrophobicContact CZ3-CG2 4.02Å; I82-L119 HydrophobicContact CB-CD2 3.94Å; I82-L119 HydrophobicContact CG2-CD2 3.81Å; I82-P120 WeakPolarHBondContact O-CD 3.39Å; I82-P120 WeakPolarHBondContact O-CG 3.38Å
83	V	98.3	Very high	96.1	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	118.6	163.9	174.8	0	0	0	0	107.8	F40 L41 C42 M43 A121 L123 W152	F40-V83 HydrophobicContact CD2-CB 4.28Å; F40-V83 HydrophobicContact CD2-CG2 3.52Å; F40-V83 HydrophobicContact CE2-CG2 3.76Å; F40-V83 HydrophobicContact CG-CG2 4.4Å; L41-V83 PolarHBondContact O-N 3.18Å; C42-V83 VanDerWaalsContact CA-O 3.3Å; C42-V83 WeakPolarHBondContact CA-O 3.11Å; C42-V83 HydrophobicContact CB-CB 4.39Å; M43-V83 PolarHBondContact N-O 3.2Å; V83-A121 HydrophobicContact CG1-CB 4.18Å; V83-A121 HydrophobicContact CG2-CB 4.29Å; V83-L123 HydrophobicContact CG1-CB 4.41Å; V83-W152 HydrophobicContact CG1-CE3 4.04Å; V83-W152 HydrophobicContact CG1-CZ3 3.99Å; V83-W152 HydrophobicContact CG2-CH2 4.02Å; V83-W152 HydrophobicContact CG2-CZ3 3.83Å
84	G	97.6	Very high	96.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	147.1	179.5	0	0	0	0	0	111.1	M43 A121 F122 L123	M43-G84 CarbonylContact O-C 3.59Å; G84-A121 PolarHBondContact N-O 3.47Å; G84-F122 CarbonylContact O-C 3.49Å; G84-F122 WeakPolarHBondContact O-CA 3.37Å; G84-L123 PolarHBondContact O-N 3.15Å
85	K	97.3	Very high	96.1	Very high	12 Å²	12	50.1 Å²	50.1	5%	0.052	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.2	170.3	-66.5	170	55	179.2	0	109.8	D19 L20 N21 C42 M43 P44 L123	D19-K85 VanDerWaalsContact OD1-CD 3.24Å; D19-K85 WeakPolarHBondContact OD1-CD 3.38Å; D19-K85 VanDerWaalsContact OD1-CE 3.31Å; D19-K85 WeakPolarHBondContact OD1-CE 3.5Å; D19-K85 IonicContact OD1-NZ 3.97Å; D19-K85 PolarHBondContact OD1-NZ 3.1Å; D19-K85 IonicContact OD2-NZ 2.96Å; L20-K85 PolarHBondContact O-NZ 3.13Å; N21-K85 PolarHBondContact OD1-NZ 3.47Å; C42-K85 HydrophobicContact CB-CD 4.08Å; C42-K85 HydrophobicContact CB-CG 4.38Å; M43-K85 PolarHBondContact O-N 3.2Å; P44-K85 HydrophobicContact CG-CB 4.42Å; K85-L123 HydrophobicContact CG-CB 4.13Å; K85-L123 HydrophobicContact CG-CD2 4.14Å
86	L	96.3	Very high	96.2	Very high	9 Å²	9	51.4 Å²	51.4	5%	0.047	25%	0.249	C	C	.	.			trans	-63.5	135.9	167.8	-167.9	69.8	0	0	0	109.8	I90 M107 F122 L123 L124	L86-I90 HydrophobicContact CD1-CD1 3.76Å; L86-I90 HydrophobicContact CD1-CG2 4.22Å; L86-I90 HydrophobicContact CD2-CB 4.21Å; L86-I90 HydrophobicContact CD2-CG2 3.91Å; L86-I90 HydrophobicContact CG-CB 4.17Å; L86-I90 HydrophobicContact CG-CD1 4.13Å; L86-I90 HydrophobicContact CG-CG2 4.19Å; L86-M107 HydrophobicContact CD1-CB 4.31Å; L86-M107 HydrophobicContact CD1-CG 4Å; L86-F122 HydrophobicContact CB-CE1 4.08Å; L86-F122 HydrophobicContact CD1-CE1 4.34Å; L86-L123 PolarHBondContact N-O 2.89Å; L86-L124 HydrophobicContact CD2-CD2 4.36Å
87	S	95.1	Very high	96.1	Very high	4 Å²	4	46.9 Å²	46.9	3%	0.028	24%	0.236	C	C	.	.			trans	-55.5	130.9	175.3	-81	0	0	0	0	111.9	W89 I90 E110	S87-W89 VanDerWaalsContact CB-NE1 3.3Å; S87-W89 PolarHBondContact O-N 3.43Å; S87-I90 WeakPolarHBondContact O-CB 3.48Å; S87-I90 PolarHBondContact O-N 3.24Å; S87-E110 WeakPolarHBondContact CB-OE1 3.36Å; S87-E110 PolarHBondContact N-OE2 2.98Å; S87-E110 PolarHBondContact OG-OE1 3.04Å; S87-E110 PolarHBondContact OG-OE2 2.93Å
88	P	91.7	Very high	96	Very high	95 Å²	95	48.4 Å²	48.4	62%	0.617	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.4	-173.6	-26.9	34.2	0	0	0	116.3
89	W	92.4	Very high	95.9	Very high	55 Å²	55	50.5 Å²	50.5	21%	0.208	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-11.3	-179.5	61	-92.7	0	0	0	113.4	K51 S87 R91 A106	K51-W89 HydrophobicContact CB-CZ2 4.32Å; K51-W89 HydrophobicContact CD-CD2 3.97Å; K51-W89 HydrophobicContact CD-CE3 4.38Å; K51-W89 HydrophobicContact CD-CG 4.12Å; K51-W89 HydrophobicContact CG-CD2 3.98Å; K51-W89 HydrophobicContact CG-CE3 4.34Å; K51-W89 HydrophobicContact CG-CH2 4.15Å; K51-W89 HydrophobicContact CG-CZ2 3.82Å; K51-W89 HydrophobicContact CG-CZ3 4.41Å; S87-W89 VanDerWaalsContact CB-NE1 3.3Å; S87-W89 PolarHBondContact O-N 3.43Å; W89-R91 PolarHBondContact O-N 2.9Å; W89-A106 HydrophobicContact CH2-CB 3.38Å; W89-A106 HydrophobicContact CZ2-CB 4.18Å; W89-A106 HydrophobicContact CZ3-CB 3.91Å
90	I	95.2	Very high	95.9	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.041	25%	0.245	C	C	.	.			trans	-75.8	115.9	179.4	-65.8	178.7	0	0	0	108.4	L86 S87 A106 M107 E110	L86-I90 HydrophobicContact CD1-CD1 3.76Å; L86-I90 HydrophobicContact CD1-CG2 4.22Å; L86-I90 HydrophobicContact CD2-CB 4.21Å; L86-I90 HydrophobicContact CD2-CG2 3.91Å; L86-I90 HydrophobicContact CG-CB 4.17Å; L86-I90 HydrophobicContact CG-CD1 4.13Å; L86-I90 HydrophobicContact CG-CG2 4.19Å; S87-I90 WeakPolarHBondContact O-CB 3.48Å; S87-I90 PolarHBondContact O-N 3.24Å; I90-A106 HydrophobicContact CD1-CB 3.74Å; I90-A106 HydrophobicContact CG1-CB 3.93Å; I90-M107 HydrophobicContact CG2-CB 3.88Å; I90-E110 VanDerWaalsContact CD1-CD 3.5Å; I90-E110 HydrophobicContact CD1-CG 4.17Å; I90-E110 WeakPolarHBondContact CD1-OE1 3.2Å
91	R	96	Very high	95.9	Very high	135 Å²	135	53.3 Å²	53.3	51%	0.509	25%	0.248	S	C	.	.			trans	-130.7	79.4	-178.9	-66.5	-175.2	-66.8	172.9	-1.3	109.7	W89 D93 S94 I99 S103	W89-R91 PolarHBondContact O-N 2.9Å; R91-D93 PolarHBondContact O-N 3.4Å; R91-S94 WeakPolarHBondContact O-CB 3.4Å; R91-S94 PolarHBondContact O-N 3.42Å; R91-S94 VanDerWaalsContact O-N 3.15Å; R91-I99 HydrophobicContact CB-CG2 4.36Å; R91-S103 VanDerWaalsContact N-CB 3.27Å; R91-S103 PolarHBondContact N-OG 3.37Å; R91-S103 WeakPolarHBondContact O-CB 3.38Å; R91-S103 PolarHBondContact O-OG 3.36Å
92	P	96.7	Very high	95.9	Very high	7 Å²	7	51.5 Å²	51.5	5%	0.045	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.1	-175.1	28.4	-33.7	0	0	0	112	R100 M107 N133 L134	P92-R100 WeakPolarHBondContact O-CG 3.03Å; P92-M107 HydrophobicContact CB-SD 4.35Å; P92-M107 HydrophobicContact CG-SD 4.11Å; P92-N133 PolarHBondContact O-ND2 3.08Å; P92-L134 HydrophobicContact CG-CB 3.88Å; P92-L134 HydrophobicContact CG-CD1 3.82Å; P92-L134 HydrophobicContact CG-CG 4.47Å
93	D	97.1	Very high	95.8	Very high	16 Å²	16	51.6 Å²	51.6	9%	0.086	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	16	178.4	-63.6	-75.1	0	0	0	113.3	R91 K95 T132 N133 L134	R91-D93 PolarHBondContact O-N 3.4Å; D93-K95 PolarHBondContact O-N 3.23Å; D93-T132 PolarHBondContact OD1-N 3.37Å; D93-N133 WeakPolarHBondContact OD1-CA 3.36Å; D93-N133 WeakPolarHBondContact OD1-CB 3.39Å; D93-N133 PolarHBondContact OD1-N 3.24Å; D93-L134 VanDerWaalsContact OD2-CB 3.23Å; D93-L134 WeakPolarHBondContact OD2-CB 3.43Å; D93-L134 PolarHBondContact OD2-N 3.19Å; D93-L134 VanDerWaalsContact OD2-N 3.11Å
94	S	96.1	Very high	95.8	Very high	18 Å²	18	53.1 Å²	53.1	13%	0.126	25%	0.246	C	C	.	.			trans	-60.9	133.6	177.3	-172.5	0	0	0	0	111.7	R91 V96 R100	R91-S94 WeakPolarHBondContact O-CB 3.4Å; R91-S94 PolarHBondContact O-N 3.42Å; R91-S94 VanDerWaalsContact O-N 3.15Å; S94-V96 PolarHBondContact O-N 3.01Å; S94-V96 PolarHBondContact OG-N 3.27Å; S94-R100 WeakPolarHBondContact O-CB 3.27Å
95	K	95.5	Very high	95.7	Very high	177 Å²	177	54.8 Å²	54.8	77%	0.77	26%	0.26	S	S	*	.	S	Bend	trans	-66.2	-19	172.8	-55.8	-56.6	-177.1	-168.6	0	112.9	D93 E97 D130	D93-K95 PolarHBondContact O-N 3.23Å; K95-E97 PolarHBondContact O-N 3.12Å; K95-D130 IonicContact NZ-OD2 2.93Å; K95-D130 PolarHBondContact NZ-OD2 2.78Å
96	V	96.6	Very high	95.6	Very high	84 Å²	84	54.2 Å²	54.2	51%	0.509	26%	0.258	S	S	.	.	S	Bend	trans	-82.1	108	173.8	-178.7	0	0	0	0	109.1	S94 K98 I99 R100	S94-V96 PolarHBondContact O-N 3.01Å; S94-V96 PolarHBondContact OG-N 3.27Å; V96-K98 VanDerWaalsContact C-N 3.27Å; V96-K98 PolarHBondContact O-N 2.82Å; V96-K98 VanDerWaalsContact O-N 3.12Å; V96-I99 HydrophobicContact CB-CB 4.21Å; V96-I99 HydrophobicContact CB-CD1 3.94Å; V96-I99 HydrophobicContact CB-CG1 4.05Å; V96-I99 HydrophobicContact CG1-CB 4.43Å; V96-I99 HydrophobicContact CG1-CD1 4.05Å; V96-I99 HydrophobicContact CG1-CG1 3.91Å; V96-I99 HydrophobicContact CG2-CD1 4.32Å; V96-I99 WeakPolarHBondContact O-CB 3.27Å; V96-I99 PolarHBondContact O-N 3.08Å; V96-R100 PolarHBondContact O-N 3.09Å
97	E	95.5	Very high	95.6	Very high	100 Å²	100	53.8 Å²	53.8	47%	0.467	26%	0.256	S	S	.	.	H	α-helix	trans	-50.4	-43.1	-174.2	179.7	173.9	-155.7	0	0	113.9	K95 I99 R100 R101	K95-E97 PolarHBondContact O-N 3.12Å; E97-I99 VanDerWaalsContact C-N 3.34Å; E97-I99 PolarHBondContact O-N 3.46Å; E97-R100 WeakPolarHBondContact O-CB 3.47Å; E97-R100 PolarHBondContact O-N 2.83Å; E97-R101 HydrophobicContact CG-CG 4.22Å; E97-R101 WeakPolarHBondContact O-CB 3.4Å; E97-R101 PolarHBondContact O-N 3.5Å; E97-R101 IonicContact OE1-CZ 3.03Å; E97-R101 IonicContact OE1-NE 2.8Å; E97-R101 PolarHBondContact OE1-NE 2.61Å; E97-R101 IonicContact OE1-NH2 2.65Å; E97-R101 PolarHBondContact OE1-NH2 3.05Å
98	K	94	Very high	95.7	Very high	82 Å²	82	57.1 Å²	57.1	36%	0.357	27%	0.272	S	S	.	.	H	α-helix	trans	-61	-43.2	178.6	-176.6	-171.8	171.1	-170.1	0	111.9	E53 Q56 V96 N102	E53-K98 WeakPolarHBondContact OE2-CE 3.42Å; E53-K98 IonicContact OE2-NZ 3.62Å; Q56-K98 HydrophobicContact CG-CD 4.5Å; V96-K98 VanDerWaalsContact C-N 3.27Å; V96-K98 PolarHBondContact O-N 2.82Å; V96-K98 VanDerWaalsContact O-N 3.12Å; K98-N102 WeakPolarHBondContact O-CB 3.4Å; K98-N102 PolarHBondContact O-N 3.48Å; K98-N102 PolarHBondContact O-ND2 3.12Å
99	I	95.5	Very high	95.9	Very high	53 Å²	53	54 Å²	54	27%	0.272	25%	0.25	S	C	.	.	H	α-helix	trans	-68.2	-43.8	178.7	-61.7	179.8	0	0	0	109.1	R91 V96 E97 N102 S103	R91-I99 HydrophobicContact CB-CG2 4.36Å; V96-I99 HydrophobicContact CB-CB 4.21Å; V96-I99 HydrophobicContact CB-CD1 3.94Å; V96-I99 HydrophobicContact CB-CG1 4.05Å; V96-I99 HydrophobicContact CG1-CB 4.43Å; V96-I99 HydrophobicContact CG1-CD1 4.05Å; V96-I99 HydrophobicContact CG1-CG1 3.91Å; V96-I99 HydrophobicContact CG2-CD1 4.32Å; V96-I99 WeakPolarHBondContact O-CB 3.27Å; V96-I99 PolarHBondContact O-N 3.08Å; E97-I99 VanDerWaalsContact C-N 3.34Å; E97-I99 PolarHBondContact O-N 3.46Å; I99-N102 PolarHBondContact O-N 2.95Å; I99-S103 VanDerWaalsContact O-CB 3.23Å; I99-S103 WeakPolarHBondContact O-CB 3.41Å; I99-S103 PolarHBondContact O-N 3.4Å; I99-S103 PolarHBondContact O-OG 3.26Å
100	R	96.2	Very high	96.1	Very high	78 Å²	78	51.4 Å²	51.4	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-54	-61.3	177.8	-161.9	-176.9	48.8	96.4	-13.1	111.9	P92 S94 V96 E97 N102 S103 E104	P92-R100 WeakPolarHBondContact O-CG 3.03Å; S94-R100 WeakPolarHBondContact O-CB 3.27Å; V96-R100 PolarHBondContact O-N 3.09Å; E97-R100 WeakPolarHBondContact O-CB 3.47Å; E97-R100 PolarHBondContact O-N 2.83Å; R100-N102 PolarHBondContact O-N 3.35Å; R100-S103 WeakPolarHBondContact O-CB 3.18Å; R100-S103 PolarHBondContact O-N 2.67Å; R100-S103 VanDerWaalsContact O-N 3.08Å; R100-E104 IonicContact CZ-OE1 2.86Å; R100-E104 IonicContact NH1-OE1 3.06Å; R100-E104 PolarHBondContact NH1-OE1 3.02Å; R100-E104 WeakPolarHBondContact O-CG 3.34Å; R100-E104 PolarHBondContact O-N 2.95Å
101	R	96.4	Very high	96.1	Very high	134 Å²	134	51.1 Å²	51.1	51%	0.506	24%	0.238	S	C	.	.	H	α-helix	trans	-62.4	-38.8	-177.4	-71	-174.7	-176.2	-150.7	2.2	112.7	I55 E97 S103 A105	I55-R101 HydrophobicContact CD1-CB 3.42Å; I55-R101 VanDerWaalsContact CD1-CB 3.42Å; E97-R101 HydrophobicContact CG-CG 4.22Å; E97-R101 WeakPolarHBondContact O-CB 3.4Å; E97-R101 PolarHBondContact O-N 3.5Å; E97-R101 IonicContact OE1-CZ 3.03Å; E97-R101 IonicContact OE1-NE 2.8Å; E97-R101 PolarHBondContact OE1-NE 2.61Å; E97-R101 IonicContact OE1-NH2 2.65Å; E97-R101 PolarHBondContact OE1-NH2 3.05Å; R101-S103 VanDerWaalsContact C-N 3.34Å; R101-A105 PolarHBondContact O-N 3.15Å
102	N	96	Very high	96.1	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.053	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-40.8	174.2	-90.4	-62.2	0	0	0	112	E53 F54 I55 K98 I99 R100 A105 A106	E53-N102 VanDerWaalsContact CD-ND2 3.33Å; E53-N102 VanDerWaalsContact OE1-CG 3.27Å; E53-N102 PolarHBondContact OE1-ND2 2.92Å; E53-N102 PolarHBondContact OE1-OD1 2.66Å; E53-N102 PolarHBondContact OE2-ND2 3.18Å; F54-N102 PolarHBondContact N-OD1 2.89Å; I55-N102 HydrophobicContact CD1-CB 4.5Å; I55-N102 WeakPolarHBondContact CD1-ND2 3.47Å; K98-N102 WeakPolarHBondContact O-CB 3.4Å; K98-N102 PolarHBondContact O-N 3.48Å; K98-N102 PolarHBondContact O-ND2 3.12Å; I99-N102 PolarHBondContact O-N 2.95Å; R100-N102 PolarHBondContact O-N 3.35Å; N102-A105 PolarHBondContact O-N 3.48Å; N102-A106 VanDerWaalsContact O-CB 3.3Å; N102-A106 WeakPolarHBondContact O-CB 3.23Å; N102-A106 PolarHBondContact O-N 2.71Å
103	S	96.7	Very high	96.1	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.014	24%	0.241	C	C	.	.	H	α-helix	trans	-68.6	-38	179.6	-60.6	0	0	0	0	111.7	R91 I99 R100 R101 A106 M107	R91-S103 VanDerWaalsContact N-CB 3.27Å; R91-S103 PolarHBondContact N-OG 3.37Å; R91-S103 WeakPolarHBondContact O-CB 3.38Å; R91-S103 PolarHBondContact O-OG 3.36Å; I99-S103 VanDerWaalsContact O-CB 3.23Å; I99-S103 WeakPolarHBondContact O-CB 3.41Å; I99-S103 PolarHBondContact O-N 3.4Å; I99-S103 PolarHBondContact O-OG 3.26Å; R100-S103 WeakPolarHBondContact O-CB 3.18Å; R100-S103 PolarHBondContact O-N 2.67Å; R100-S103 VanDerWaalsContact O-N 3.08Å; R101-S103 VanDerWaalsContact C-N 3.34Å; S103-A106 PolarHBondContact O-N 3.21Å; S103-M107 WeakPolarHBondContact O-CB 3.29Å; S103-M107 PolarHBondContact O-N 3.15Å
104	E	97.1	Very high	96.1	Very high	36 Å²	36	49.5 Å²	49.5	17%	0.168	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-49.2	172.7	-70.9	173.9	-143.1	0	0	111.5	R100 L108 N133 R136 V137	R100-E104 IonicContact CZ-OE1 2.86Å; R100-E104 IonicContact NH1-OE1 3.06Å; R100-E104 PolarHBondContact NH1-OE1 3.02Å; R100-E104 WeakPolarHBondContact O-CG 3.34Å; R100-E104 PolarHBondContact O-N 2.95Å; E104-L108 PolarHBondContact O-N 3.04Å; E104-L108 VanDerWaalsContact O-N 3.08Å; E104-N133 WeakPolarHBondContact CG-ND2 3.11Å; E104-N133 PolarHBondContact OE1-ND2 3.33Å; E104-R136 IonicContact OE1-NH2 2.77Å; E104-R136 IonicContact OE2-NH2 3.75Å; E104-R136 PolarHBondContact OE2-NH2 2.77Å; E104-V137 HydrophobicContact CB-CG2 4.48Å; E104-V137 HydrophobicContact CG-CG2 4.21Å
105	A	96.2	Very high	96.1	Very high	35 Å²	35	49.6 Å²	49.6	29%	0.289	24%	0.24	S	C	.	.	H	α-helix	trans	-65.6	-42.7	179.2	0	0	0	0	0	112.3	F54 R101 N102 Q109	F54-A105 HydrophobicContact CB-CB 3.92Å; F54-A105 HydrophobicContact CD1-CB 3.83Å; F54-A105 HydrophobicContact CD2-CB 3.87Å; F54-A105 HydrophobicContact CE1-CB 4.27Å; F54-A105 HydrophobicContact CE2-CB 4.32Å; F54-A105 HydrophobicContact CG-CB 3.6Å; R101-A105 PolarHBondContact O-N 3.15Å; N102-A105 PolarHBondContact O-N 3.48Å; A105-Q109 WeakPolarHBondContact O-CB 3.37Å; A105-Q109 PolarHBondContact O-N 2.94Å; A105-Q109 VanDerWaalsContact O-N 3.07Å
106	A	95.9	Very high	96.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-63.4	-47	176.8	0	0	0	0	0	111.9	F54 W89 I90 N102 S103 L108 Q109 E110	F54-A106 HydrophobicContact CE2-CB 3.75Å; F54-A106 HydrophobicContact CZ-CB 4.4Å; W89-A106 HydrophobicContact CH2-CB 3.38Å; W89-A106 HydrophobicContact CZ2-CB 4.18Å; W89-A106 HydrophobicContact CZ3-CB 3.91Å; I90-A106 HydrophobicContact CD1-CB 3.74Å; I90-A106 HydrophobicContact CG1-CB 3.93Å; N102-A106 VanDerWaalsContact O-CB 3.3Å; N102-A106 WeakPolarHBondContact O-CB 3.23Å; N102-A106 PolarHBondContact O-N 2.71Å; S103-A106 PolarHBondContact O-N 3.21Å; A106-L108 PolarHBondContact O-N 3.46Å; A106-Q109 WeakPolarHBondContact O-CB 3.39Å; A106-Q109 PolarHBondContact O-N 2.97Å; A106-E110 WeakPolarHBondContact O-CG 3.43Å; A106-E110 PolarHBondContact O-N 3.47Å
107	M	96.6	Very high	96.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.5	-50.6	177.8	179.9	178.3	168.8	0	0	110.6	L86 I90 P92 S103 Q109 E110 L111 L124 L134 V137 L138	L86-M107 HydrophobicContact CD1-CB 4.31Å; L86-M107 HydrophobicContact CD1-CG 4Å; I90-M107 HydrophobicContact CG2-CB 3.88Å; P92-M107 HydrophobicContact CB-SD 4.35Å; P92-M107 HydrophobicContact CG-SD 4.11Å; S103-M107 WeakPolarHBondContact O-CB 3.29Å; S103-M107 PolarHBondContact O-N 3.15Å; M107-Q109 VanDerWaalsContact C-N 3.29Å; M107-Q109 PolarHBondContact O-N 3.03Å; M107-E110 PolarHBondContact O-N 3.4Å; M107-L111 HydrophobicContact CE-CD1 3.73Å; M107-L111 HydrophobicContact CG-CD1 3.89Å; M107-L111 HydrophobicContact CG-CG 4.25Å; M107-L111 WeakPolarHBondContact O-CB 3.3Å; M107-L111 VanDerWaalsContact O-CG 3.22Å; M107-L111 WeakPolarHBondContact O-CG 3.38Å; M107-L111 PolarHBondContact O-N 3.41Å; M107-L124 HydrophobicContact CE-CD2 3.77Å; M107-L134 HydrophobicContact CE-CD1 3.53Å; M107-L134 HydrophobicContact CE-CG 4.47Å; M107-L134 HydrophobicContact SD-CD1 3.75Å; M107-V137 HydrophobicContact CB-CG1 4.41Å; M107-V137 HydrophobicContact CE-CB 3.98Å; M107-V137 HydrophobicContact CE-CG1 3.85Å; M107-V137 HydrophobicContact CG-CG1 3.98Å; M107-V137 HydrophobicContact SD-CB 3.89Å; M107-V137 HydrophobicContact SD-CG1 3.66Å; M107-L138 HydrophobicContact CE-CB 3.96Å
108	L	96.2	Very high	96.1	Very high	73 Å²	73	41.3 Å²	41.3	38%	0.382	20%	0.2	S	C	.	.	H	α-helix	trans	-60.8	-39.3	179.2	-175.2	60.9	0	0	0	112.1	E104 A106 N112 H141	E104-L108 PolarHBondContact O-N 3.04Å; E104-L108 VanDerWaalsContact O-N 3.08Å; A106-L108 PolarHBondContact O-N 3.46Å; L108-N112 VanDerWaalsContact O-CB 3.27Å; L108-N112 WeakPolarHBondContact O-CB 3.45Å; L108-N112 PolarHBondContact O-N 2.87Å; L108-N112 PolarHBondContact O-ND2 3.01Å; L108-H141 HydrophobicContact CD1-CB 4.41Å
109	Q	95.4	Very high	96.3	Very high	30 Å²	30	37.5 Å²	37.5	14%	0.14	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-46.7	175.1	175.3	175.5	83.6	0	0	112.1	F46 F54 A105 A106 M107 F113	F46-Q109 HydrophobicContact CE1-CG 4.01Å; F46-Q109 HydrophobicContact CZ-CG 3.84Å; F54-Q109 HydrophobicContact CZ-CB 4.49Å; A105-Q109 WeakPolarHBondContact O-CB 3.37Å; A105-Q109 PolarHBondContact O-N 2.94Å; A105-Q109 VanDerWaalsContact O-N 3.07Å; A106-Q109 WeakPolarHBondContact O-CB 3.39Å; A106-Q109 PolarHBondContact O-N 2.97Å; M107-Q109 VanDerWaalsContact C-N 3.29Å; M107-Q109 PolarHBondContact O-N 3.03Å; Q109-F113 WeakPolarHBondContact O-CB 3.37Å; Q109-F113 PolarHBondContact O-N 3.44Å
110	E	96.3	Very high	96.4	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-66.9	-40.8	-179.8	-64.5	-163.9	-179.6	0	0	112.1	F46 S87 I90 A106 M107 F113 G114 F122	F46-E110 HydrophobicContact CB-CG 4.31Å; F46-E110 WeakPolarHBondContact CB-OE1 3.37Å; F46-E110 HydrophobicContact CD1-CG 4.18Å; F46-E110 HydrophobicContact CD2-CB 4.15Å; F46-E110 HydrophobicContact CD2-CG 3.56Å; F46-E110 HydrophobicContact CE1-CG 4.43Å; F46-E110 HydrophobicContact CE2-CB 4.2Å; F46-E110 HydrophobicContact CE2-CG 3.87Å; F46-E110 HydrophobicContact CG-CG 3.75Å; F46-E110 HydrophobicContact CZ-CG 4.3Å; S87-E110 WeakPolarHBondContact CB-OE1 3.36Å; S87-E110 PolarHBondContact N-OE2 2.98Å; S87-E110 PolarHBondContact OG-OE1 3.04Å; S87-E110 PolarHBondContact OG-OE2 2.93Å; I90-E110 VanDerWaalsContact CD1-CD 3.5Å; I90-E110 HydrophobicContact CD1-CG 4.17Å; I90-E110 WeakPolarHBondContact CD1-OE1 3.2Å; A106-E110 WeakPolarHBondContact O-CG 3.43Å; A106-E110 PolarHBondContact O-N 3.47Å; M107-E110 PolarHBondContact O-N 3.4Å; E110-F113 PolarHBondContact O-N 2.72Å; E110-G114 PolarHBondContact O-N 2.85Å; E110-F122 HydrophobicContact CB-CZ 4.3Å
111	L	96.9	Very high	96.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-64.3	-46.4	176.5	-69.6	-177.2	0	0	0	111.9	M107 F113 G114 A115 F122 L138 H141 F151	M107-L111 HydrophobicContact CE-CD1 3.73Å; M107-L111 HydrophobicContact CG-CD1 3.89Å; M107-L111 HydrophobicContact CG-CG 4.25Å; M107-L111 WeakPolarHBondContact O-CB 3.3Å; M107-L111 VanDerWaalsContact O-CG 3.22Å; M107-L111 WeakPolarHBondContact O-CG 3.38Å; M107-L111 PolarHBondContact O-N 3.41Å; L111-F113 VanDerWaalsContact C-N 3.31Å; L111-F113 PolarHBondContact O-N 3.03Å; L111-G114 PolarHBondContact O-N 3.29Å; L111-A115 WeakPolarHBondContact O-CB 3.18Å; L111-A115 PolarHBondContact O-N 3.49Å; L111-F122 HydrophobicContact CD2-CD1 3.83Å; L111-F122 HydrophobicContact CD2-CE1 3.9Å; L111-F122 HydrophobicContact CD2-CG 4.17Å; L111-F122 HydrophobicContact CD2-CZ 4.33Å; L111-L138 HydrophobicContact CD1-CD1 4.24Å; L111-H141 VanDerWaalsContact C-CE1 3.5Å; L111-H141 HydrophobicContact CD1-CB 4.16Å; L111-H141 PolarHBondContact O-CE1 3.29Å; L111-F151 HydrophobicContact CD2-CE1 3.87Å
112	N	96.2	Very high	96.6	Very high	77 Å²	77	27.5 Å²	27.5	41%	0.412	15%	0.149	S	C	.	.	H	α-helix	trans	-62.1	-39.3	177.5	-72.2	-13.9	0	0	0	111.9	L108 A115 Y116 H141	L108-N112 VanDerWaalsContact O-CB 3.27Å; L108-N112 WeakPolarHBondContact O-CB 3.45Å; L108-N112 PolarHBondContact O-N 2.87Å; L108-N112 PolarHBondContact O-ND2 3.01Å; N112-A115 PolarHBondContact O-N 2.87Å; N112-Y116 WeakPolarHBondContact O-CB 3.23Å; N112-Y116 PolarHBondContact O-N 2.76Å; N112-H141 PolarHBondContact OD1-CE1 2.99Å; N112-H141 PolarHBondContact OD1-ND1 3.09Å; N112-H141 VanDerWaalsContact OD1-ND1 3.07Å
113	F	96.1	Very high	96.7	Very high	45 Å²	45	27.4 Å²	27.4	20%	0.197	15%	0.149	C	C	.	.	H	α-helix	trans	-70.3	-39.3	176.4	-168.1	-110.6	0	0	0	111.8	V45 F46 T67 Q109 E110 L111 A115 Y116 L117	V45-F113 HydrophobicContact CG1-CD1 3.55Å; V45-F113 HydrophobicContact CG1-CE1 3.75Å; F46-F113 HydrophobicContact CE2-CB 3.83Å; F46-F113 AromaticContact CE2-CD1 3.76Å; F46-F113 HydrophobicContact CE2-CD1 3.76Å; F46-F113 HydrophobicContact CE2-CG 4.04Å; F46-F113 HydrophobicContact CZ-CB 4.17Å; F46-F113 HydrophobicContact CZ-CD1 4.41Å; F46-F113 HydrophobicContact CZ-CG 4.37Å; T67-F113 HydrophobicContact CG2-CD1 3.68Å; T67-F113 HydrophobicContact CG2-CE1 3.32Å; T67-F113 HydrophobicContact CG2-CE2 4.27Å; T67-F113 HydrophobicContact CG2-CG 4.28Å; T67-F113 HydrophobicContact CG2-CZ 3.66Å; Q109-F113 WeakPolarHBondContact O-CB 3.37Å; Q109-F113 PolarHBondContact O-N 3.44Å; E110-F113 PolarHBondContact O-N 2.72Å; L111-F113 VanDerWaalsContact C-N 3.31Å; L111-F113 PolarHBondContact O-N 3.03Å; F113-A115 VanDerWaalsContact C-N 3.3Å; F113-A115 PolarHBondContact O-N 2.74Å; F113-Y116 HydrophobicContact CD2-CD1 4.09Å; F113-Y116 AromaticContact CE2-CD1 3.94Å; F113-Y116 HydrophobicContact CE2-CD1 3.94Å; F113-Y116 HydrophobicContact CE2-CE1 4.29Å; F113-Y116 WeakPolarHBondContact O-CB 3.47Å; F113-Y116 PolarHBondContact O-N 3.02Å; F113-L117 HydrophobicContact CD1-CD1 3.89Å; F113-L117 HydrophobicContact CD1-CG 4.29Å; F113-L117 HydrophobicContact CE1-CD1 3.6Å; F113-L117 HydrophobicContact CE1-CD2 4.32Å; F113-L117 HydrophobicContact CE1-CG 4.04Å; F113-L117 HydrophobicContact CZ-CD1 4.27Å; F113-L117 HydrophobicContact CZ-CD2 4.17Å; F113-L117 HydrophobicContact CZ-CG 4.29Å; F113-L117 WeakPolarHBondContact O-CG 3.34Å; F113-L117 PolarHBondContact O-N 2.86Å
114	G	96.4	Very high	96.7	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-39.2	172.1	0	0	0	0	0	113	E110 L111 L117 G118 L119	E110-G114 PolarHBondContact O-N 2.85Å; L111-G114 PolarHBondContact O-N 3.29Å; G114-L117 PolarHBondContact O-N 3.47Å; G114-G118 PolarHBondContact O-N 3.48Å; G114-L119 WeakPolarHBondContact O-CG 3.3Å; G114-L119 PolarHBondContact O-N 3.32Å; G114-L119 VanDerWaalsContact O-N 3.12Å
115	A	96.2	Very high	96.7	Very high	20 Å²	20	27.9 Å²	27.9	17%	0.165	16%	0.155	C	C	.	.	H	α-helix	trans	-65.2	-43.2	173.1	0	0	0	0	0	112.3	L111 N112 F113 L117 G118 H147	L111-A115 WeakPolarHBondContact O-CB 3.18Å; L111-A115 PolarHBondContact O-N 3.49Å; N112-A115 PolarHBondContact O-N 2.87Å; F113-A115 VanDerWaalsContact C-N 3.3Å; F113-A115 PolarHBondContact O-N 2.74Å; A115-L117 VanDerWaalsContact C-N 3.34Å; A115-L117 PolarHBondContact O-N 2.84Å; A115-G118 PolarHBondContact O-N 3.37Å; A115-H147 HydrophobicContact CB-CB 4.28Å
116	Y	96	Very high	96.7	Very high	150 Å²	150	26.3 Å²	26.3	59%	0.588	14%	0.142	S	C	*	.	H	α-helix	trans	-59.3	-41.8	174.9	166.7	-99.2	0	0	0	112.4	D70 N112 F113 G118	D70-Y116 HydrophobicContact CB-CE1 4Å; D70-Y116 WeakPolarHBondContact OD2-CE1 3.43Å; D70-Y116 PolarHBondContact OD2-OH 2.89Å; N112-Y116 WeakPolarHBondContact O-CB 3.23Å; N112-Y116 PolarHBondContact O-N 2.76Å; F113-Y116 HydrophobicContact CD2-CD1 4.09Å; F113-Y116 AromaticContact CE2-CD1 3.94Å; F113-Y116 HydrophobicContact CE2-CD1 3.94Å; F113-Y116 HydrophobicContact CE2-CE1 4.29Å; F113-Y116 WeakPolarHBondContact O-CB 3.47Å; F113-Y116 PolarHBondContact O-N 3.02Å; Y116-G118 PolarHBondContact O-N 3.05Å
117	L	96.4	Very high	96.5	Very high	12 Å²	12	30.9 Å²	30.9	6%	0.063	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.8	175.1	-66.6	178.1	0	0	0	113.4	V45 D70 W78 F113 G114 A115 L119	V45-L117 HydrophobicContact CG1-CD1 3.72Å; D70-L117 HydrophobicContact CB-CD2 3.51Å; W78-L117 HydrophobicContact CB-CB 4.46Å; W78-L117 WeakPolarHBondContact CB-O 3.47Å; W78-L117 HydrophobicContact CD2-CD1 4.15Å; W78-L117 HydrophobicContact CD2-CD2 4.21Å; W78-L117 HydrophobicContact CE3-CD1 3.97Å; W78-L117 HydrophobicContact CG-CB 4.43Å; W78-L117 HydrophobicContact CG-CD2 4.31Å; W78-L117 HydrophobicContact CH2-CD1 4.29Å; W78-L117 HydrophobicContact CZ2-CD1 4.47Å; W78-L117 HydrophobicContact CZ3-CD1 4.04Å; F113-L117 HydrophobicContact CD1-CD1 3.89Å; F113-L117 HydrophobicContact CD1-CG 4.29Å; F113-L117 HydrophobicContact CE1-CD1 3.6Å; F113-L117 HydrophobicContact CE1-CD2 4.32Å; F113-L117 HydrophobicContact CE1-CG 4.04Å; F113-L117 HydrophobicContact CZ-CD1 4.27Å; F113-L117 HydrophobicContact CZ-CD2 4.17Å; F113-L117 HydrophobicContact CZ-CG 4.29Å; F113-L117 WeakPolarHBondContact O-CG 3.34Å; F113-L117 PolarHBondContact O-N 2.86Å; G114-L117 PolarHBondContact O-N 3.47Å; A115-L117 VanDerWaalsContact C-N 3.34Å; A115-L117 PolarHBondContact O-N 2.84Å; L117-L119 HydrophobicContact CB-CD2 4.21Å; L117-L119 HydrophobicContact CB-CG 4.14Å
118	G	96.3	Very high	96.3	Very high	25 Å²	25	34.4 Å²	34.4	26%	0.258	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	33.7	-177.8	0	0	0	0	0	113.4	N79 G114 A115 Y116	N79-G118 WeakPolarHBondContact CA-O 3.5Å; N79-G118 PolarHBondContact ND2-O 2.88Å; G114-G118 PolarHBondContact O-N 3.48Å; A115-G118 PolarHBondContact O-N 3.37Å; Y116-G118 PolarHBondContact O-N 3.05Å
119	L	97.7	Very high	96	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.19	C	C	.	.			trans	-59.5	137.6	-178.3	-62.2	-179.6	0	0	0	111.5	V45 W78 I82 G114 L117 F122 S149	V45-L119 HydrophobicContact CG2-CD1 3.76Å; W78-L119 HydrophobicContact CE3-CD2 3.96Å; W78-L119 WeakPolarHBondContact O-CD2 3.31Å; I82-L119 HydrophobicContact CB-CD2 3.94Å; I82-L119 HydrophobicContact CG2-CD2 3.81Å; G114-L119 WeakPolarHBondContact O-CG 3.3Å; G114-L119 PolarHBondContact O-N 3.32Å; G114-L119 VanDerWaalsContact O-N 3.12Å; L117-L119 HydrophobicContact CB-CD2 4.21Å; L117-L119 HydrophobicContact CB-CG 4.14Å; L119-F122 HydrophobicContact CD1-CD2 3.96Å; L119-F122 HydrophobicContact CD1-CE2 4.15Å; L119-S149 WeakPolarHBondContact O-CB 3.5Å; L119-S149 PolarHBondContact O-OG 3.3Å
120	P	97.2	Very high	95.9	Very high	50 Å²	50	37.9 Å²	37.9	33%	0.325	20%	0.199	S	C	.	.	S	Bend	trans	-68	-37.8	179	27.1	-33.6	0	0	0	111.8	W78 N79 I82 M150	W78-P120 WeakPolarHBondContact O-CD 3.39Å; N79-P120 WeakPolarHBondContact O-CB 3.24Å; N79-P120 VanDerWaalsContact O-CD 3.23Å; N79-P120 WeakPolarHBondContact O-CD 3.41Å; N79-P120 VanDerWaalsContact O-CG 3.3Å; N79-P120 WeakPolarHBondContact O-CG 3.43Å; I82-P120 WeakPolarHBondContact O-CD 3.39Å; I82-P120 WeakPolarHBondContact O-CG 3.38Å; P120-M150 PolarHBondContact O-N 3.25Å
121	A	98.1	Very high	95.9	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.017	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	155.6	177.3	0	0	0	0	0	112.7	V83 G84 M150 W152	V83-A121 HydrophobicContact CG1-CB 4.18Å; V83-A121 HydrophobicContact CG2-CB 4.29Å; G84-A121 PolarHBondContact N-O 3.47Å; A121-M150 CarbonylContact C-O 3.59Å; A121-M150 WeakPolarHBondContact CA-O 3.25Å; A121-M150 HydrophobicContact CB-CB 4.26Å; A121-W152 HydrophobicContact CB-CD2 3.73Å; A121-W152 HydrophobicContact CB-CE3 4.16Å; A121-W152 HydrophobicContact CB-CG 4.24Å; A121-W152 HydrophobicContact CB-CH2 3.99Å; A121-W152 HydrophobicContact CB-CZ2 3.54Å; A121-W152 HydrophobicContact CB-CZ3 4.28Å
122	F	97.9	Very high	95.9	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.018	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.3	175.4	-149.2	-82.4	0	0	0	109.8	V45 G84 L86 E110 L111 L119 L124 M150 F151 W152	V45-F122 HydrophobicContact CG2-CE2 4.08Å; G84-F122 CarbonylContact O-C 3.49Å; G84-F122 WeakPolarHBondContact O-CA 3.37Å; L86-F122 HydrophobicContact CB-CE1 4.08Å; L86-F122 HydrophobicContact CD1-CE1 4.34Å; E110-F122 HydrophobicContact CB-CZ 4.3Å; L111-F122 HydrophobicContact CD2-CD1 3.83Å; L111-F122 HydrophobicContact CD2-CE1 3.9Å; L111-F122 HydrophobicContact CD2-CG 4.17Å; L111-F122 HydrophobicContact CD2-CZ 4.33Å; L119-F122 HydrophobicContact CD1-CD2 3.96Å; L119-F122 HydrophobicContact CD1-CE2 4.15Å; F122-L124 HydrophobicContact CD1-CD1 4.07Å; F122-L124 HydrophobicContact CD1-CG 4.31Å; F122-L124 WeakPolarHBondContact O-CD1 3.25Å; F122-M150 PolarHBondContact N-O 3.29Å; F122-F151 HydrophobicContact CB-CD1 3.88Å; F122-F151 HydrophobicContact CB-CE1 4.01Å; F122-F151 CarbonylContact O-C 3.59Å; F122-F151 WeakPolarHBondContact O-CA 3.48Å; F122-W152 PolarHBondContact O-N 3.32Å
123	L	98.3	Very high	96	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	123.6	-178.1	-166.4	77.5	0	0	0	110.2	V83 G84 K85 L86 W152 R154 A205 I230	V83-L123 HydrophobicContact CG1-CB 4.41Å; G84-L123 PolarHBondContact O-N 3.15Å; K85-L123 HydrophobicContact CG-CB 4.13Å; K85-L123 HydrophobicContact CG-CD2 4.14Å; L86-L123 PolarHBondContact N-O 2.89Å; L123-W152 CarbonylContact C-O 3.57Å; L123-W152 VanDerWaalsContact CA-O 3.31Å; L123-W152 WeakPolarHBondContact CA-O 3.28Å; L123-W152 HydrophobicContact CD1-CB 3.78Å; L123-R154 HydrophobicContact CD1-CB 4.1Å; L123-R154 HydrophobicContact CD2-CB 4.48Å; L123-R154 HydrophobicContact CG-CB 4.18Å; L123-A205 HydrophobicContact CD1-CB 3.61Å; L123-I230 HydrophobicContact CD1-CD1 4.48Å; L123-I230 HydrophobicContact CD2-CD1 4.4Å
124	L	97.9	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.9	177.5	-63.3	95.4	0	0	0	110.1	L86 M107 F122 L134 F151 W152 M153 R154	L86-L124 HydrophobicContact CD2-CD2 4.36Å; M107-L124 HydrophobicContact CE-CD2 3.77Å; F122-L124 HydrophobicContact CD1-CD1 4.07Å; F122-L124 HydrophobicContact CD1-CG 4.31Å; F122-L124 WeakPolarHBondContact O-CD1 3.25Å; L124-L134 HydrophobicContact CD2-CD1 3.99Å; L124-F151 HydrophobicContact CD1-CB 4.19Å; L124-F151 HydrophobicContact CD1-CD1 3.76Å; L124-F151 HydrophobicContact CD1-CG 4.46Å; L124-W152 PolarHBondContact N-O 2.85Å; L124-M153 HydrophobicContact CB-CE 3.68Å; L124-M153 HydrophobicContact CB-SD 4.01Å; L124-M153 HydrophobicContact CD1-SD 4.28Å; L124-M153 CarbonylContact O-C 3.52Å; L124-M153 WeakPolarHBondContact O-CA 3.49Å; L124-R154 PolarHBondContact O-N 3.21Å
125	P	96.7	Very high	96.2	Very high	49 Å²	49	36.7 Å²	36.7	32%	0.318	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	140.7	176.7	30.7	-34	0	0	0	111.5
126	L	96.5	Very high	96.2	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.209	C	C	.	.			trans	-126.5	95.6	167.3	-165.7	78.1	0	0	0	108	N131 L134 M153 R154 V155 W188 W189 F192	L126-N131 HydrophobicContact CD1-CB 3.81Å; L126-N131 WeakPolarHBondContact CD1-ND2 3.39Å; L126-N131 WeakPolarHBondContact CD1-OD1 3.44Å; L126-L134 HydrophobicContact CD1-CD2 4.17Å; L126-M153 HydrophobicContact CB-CE 4.47Å; L126-M153 HydrophobicContact CD1-CE 4.36Å; L126-R154 PolarHBondContact N-O 3.09Å; L126-V155 HydrophobicContact CB-CG2 4.14Å; L126-V155 HydrophobicContact CD2-CG2 3.83Å; L126-W188 HydrophobicContact CD2-CB 4.13Å; L126-W188 HydrophobicContact CG-CB 4.37Å; L126-W189 HydrophobicContact CD2-CB 4.25Å; L126-W189 HydrophobicContact CD2-CE3 4.46Å; L126-F192 HydrophobicContact CD1-CB 3.94Å; L126-F192 HydrophobicContact CD1-CD1 4.46Å; L126-F192 HydrophobicContact CD1-CD2 3.66Å; L126-F192 HydrophobicContact CD1-CE2 4.27Å; L126-F192 HydrophobicContact CD1-CG 3.75Å; L126-F192 HydrophobicContact CD2-CB 4.1Å; L126-F192 HydrophobicContact CD2-CG 4.42Å
127	N	91.1	Very high	96.3	Very high	98 Å²	98	34.4 Å²	34.4	52%	0.524	18%	0.184	S	C	.	.			trans	-128.8	11.2	-163.5	66.1	-18	0	0	0	114.3	W188	N127-W188 VanDerWaalsContact C-CZ3 3.44Å
128	Q	91.9	Very high	96.4	Very high	73 Å²	73	33.9 Å²	33.9	34%	0.341	18%	0.181	S	C	.	.	S	Bend	trans	-151.9	172.1	-178.6	59.3	-177.8	48.7	0	0	109.2	D130 N131 W188	Q128-D130 PolarHBondContact NE2-O 2.84Å; Q128-N131 WeakPolarHBondContact CG-OD1 3.27Å; Q128-N131 PolarHBondContact O-ND2 3.4Å; Q128-W188 VanDerWaalsContact O-CG 3.24Å
129	E	90.3	Very high	96.5	Very high	117 Å²	117	34.8 Å²	34.8	55%	0.547	18%	0.182	S	C	.	.	S	Bend	trans	-75.7	-53.6	-177.7	-173.8	-178.1	-178.4	0	0	113.2	N131 W188	E129-N131 PolarHBondContact O-N 2.98Å; E129-N131 PolarHBondContact O-ND2 3.11Å; E129-N131 VanDerWaalsContact O-ND2 3.15Å; E129-W188 VanDerWaalsContact CA-CD1 3.46Å
130	D	93.9	Very high	96.4	Very high	59 Å²	59	38.6 Å²	38.6	32%	0.316	20%	0.202	S	C	.	.			trans	-85	106.9	-179.6	177.5	12	0	0	0	110.6	K95 Q128 T132	K95-D130 IonicContact NZ-OD2 2.93Å; K95-D130 PolarHBondContact NZ-OD2 2.78Å; Q128-D130 PolarHBondContact NE2-O 2.84Å; D130-T132 WeakPolarHBondContact OD1-CB 3.39Å; D130-T132 VanDerWaalsContact OD1-CG2 3.27Å; D130-T132 WeakPolarHBondContact OD1-CG2 3.45Å; D130-T132 PolarHBondContact OD1-N 3.02Å; D130-T132 PolarHBondContact OD1-OG1 3.03Å
131	N	96.1	Very high	96.5	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.037	19%	0.187	C	C	.	.			trans	-123.2	29.5	177.6	-58.2	-86.8	0	0	0	111.3	L126 Q128 E129 N133 L134 A135 F192	L126-N131 HydrophobicContact CD1-CB 3.81Å; L126-N131 WeakPolarHBondContact CD1-ND2 3.39Å; L126-N131 WeakPolarHBondContact CD1-OD1 3.44Å; Q128-N131 WeakPolarHBondContact CG-OD1 3.27Å; Q128-N131 PolarHBondContact O-ND2 3.4Å; E129-N131 PolarHBondContact O-N 2.98Å; E129-N131 PolarHBondContact O-ND2 3.11Å; E129-N131 VanDerWaalsContact O-ND2 3.15Å; N131-N133 VanDerWaalsContact C-N 3.32Å; N131-N133 PolarHBondContact O-N 2.95Å; N131-L134 HydrophobicContact CB-CB 4.3Å; N131-L134 HydrophobicContact CB-CD2 4.32Å; N131-L134 PolarHBondContact O-N 3.46Å; N131-A135 WeakPolarHBondContact O-CB 3.23Å; N131-A135 PolarHBondContact O-N 3.4Å; N131-F192 HydrophobicContact CB-CD2 3.84Å; N131-F192 HydrophobicContact CB-CE2 4.47Å
132	T	97	Very high	96.4	Very high	73 Å²	73	37.3 Å²	37.3	45%	0.448	19%	0.192	S	C	.	.	H	α-helix	trans	-60.4	-40.1	-172.4	48.9	0	0	0	0	112.8	D93 D130 R136 L195	D93-T132 PolarHBondContact OD1-N 3.37Å; D130-T132 WeakPolarHBondContact OD1-CB 3.39Å; D130-T132 VanDerWaalsContact OD1-CG2 3.27Å; D130-T132 WeakPolarHBondContact OD1-CG2 3.45Å; D130-T132 PolarHBondContact OD1-N 3.02Å; D130-T132 PolarHBondContact OD1-OG1 3.03Å; T132-R136 WeakPolarHBondContact O-CB 3.24Å; T132-R136 PolarHBondContact O-N 2.74Å; T132-L195 HydrophobicContact CG2-CD1 3.93Å; T132-L195 HydrophobicContact CG2-CD2 4.47Å
133	N	97.4	Very high	96.2	Very high	15 Å²	15	45.1 Å²	45.1	8%	0.08	23%	0.228	C	C	.	.	H	α-helix	trans	-79.8	-37.6	-178.6	-156.7	31.8	0	0	0	112	P92 D93 E104 N131 A135 R136 V137	P92-N133 PolarHBondContact O-ND2 3.08Å; D93-N133 WeakPolarHBondContact OD1-CA 3.36Å; D93-N133 WeakPolarHBondContact OD1-CB 3.39Å; D93-N133 PolarHBondContact OD1-N 3.24Å; E104-N133 WeakPolarHBondContact CG-ND2 3.11Å; E104-N133 PolarHBondContact OE1-ND2 3.33Å; N131-N133 VanDerWaalsContact C-N 3.32Å; N131-N133 PolarHBondContact O-N 2.95Å; N133-A135 VanDerWaalsContact C-N 3.31Å; N133-A135 PolarHBondContact O-N 2.76Å; N133-R136 PolarHBondContact O-N 3.17Å; N133-R136 VanDerWaalsContact OD1-CZ 3.29Å; N133-R136 PolarHBondContact OD1-NE 2.92Å; N133-R136 PolarHBondContact OD1-NH2 2.99Å; N133-V137 WeakPolarHBondContact O-CG2 3.2Å; N133-V137 PolarHBondContact O-N 2.82Å
134	L	98.2	Very high	96	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-53.4	-50.4	168.1	-179.1	70.1	0	0	0	110.7	P92 D93 M107 L124 L126 N131 R136 V137 L138 M153 F192	P92-L134 HydrophobicContact CG-CB 3.88Å; P92-L134 HydrophobicContact CG-CD1 3.82Å; P92-L134 HydrophobicContact CG-CG 4.47Å; D93-L134 VanDerWaalsContact OD2-CB 3.23Å; D93-L134 WeakPolarHBondContact OD2-CB 3.43Å; D93-L134 PolarHBondContact OD2-N 3.19Å; D93-L134 VanDerWaalsContact OD2-N 3.11Å; M107-L134 HydrophobicContact CE-CD1 3.53Å; M107-L134 HydrophobicContact CE-CG 4.47Å; M107-L134 HydrophobicContact SD-CD1 3.75Å; L124-L134 HydrophobicContact CD2-CD1 3.99Å; L126-L134 HydrophobicContact CD1-CD2 4.17Å; N131-L134 HydrophobicContact CB-CB 4.3Å; N131-L134 HydrophobicContact CB-CD2 4.32Å; N131-L134 PolarHBondContact O-N 3.46Å; L134-R136 PolarHBondContact O-N 2.77Å; L134-V137 PolarHBondContact O-N 2.82Å; L134-L138 VanDerWaalsContact O-CB 3.29Å; L134-L138 WeakPolarHBondContact O-CB 3.31Å; L134-L138 PolarHBondContact O-N 2.84Å; L134-M153 HydrophobicContact CD2-CE 3.93Å; L134-F192 HydrophobicContact CB-CE2 4.24Å; L134-F192 HydrophobicContact CD2-CD2 4.4Å; L134-F192 HydrophobicContact CD2-CE2 3.73Å; L134-F192 HydrophobicContact CD2-CZ 4.35Å; L134-F192 HydrophobicContact CG-CE2 3.79Å; L134-F192 HydrophobicContact CG-CZ 4.38Å
135	A	98.3	Very high	95.6	Very high	2 Å²	2	50.4 Å²	50.4	2%	0.017	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-43.9	179.4	0	0	0	0	0	112	N131 N133 T139 F192 L195	N131-A135 WeakPolarHBondContact O-CB 3.23Å; N131-A135 PolarHBondContact O-N 3.4Å; N133-A135 VanDerWaalsContact C-N 3.31Å; N133-A135 PolarHBondContact O-N 2.76Å; A135-T139 VanDerWaalsContact O-CB 3.23Å; A135-T139 WeakPolarHBondContact O-CB 3.23Å; A135-T139 PolarHBondContact O-N 2.87Å; A135-T139 PolarHBondContact O-OG1 2.64Å; A135-F192 HydrophobicContact CB-CD2 3.91Å; A135-F192 HydrophobicContact CB-CE2 3.72Å; A135-F192 HydrophobicContact CB-CZ 4.49Å; A135-L195 HydrophobicContact CB-CB 3.75Å; A135-L195 HydrophobicContact CB-CD1 4.12Å
136	R	98.1	Very high	95.2	Very high	112 Å²	112	57.5 Å²	57.5	42%	0.423	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-50.3	177.8	-175.6	-171.9	66.9	87.2	-1.5	112.3	E104 T132 N133 L134 N140	E104-R136 IonicContact OE1-NH2 2.77Å; E104-R136 IonicContact OE2-NH2 3.75Å; E104-R136 PolarHBondContact OE2-NH2 2.77Å; T132-R136 WeakPolarHBondContact O-CB 3.24Å; T132-R136 PolarHBondContact O-N 2.74Å; N133-R136 PolarHBondContact O-N 3.17Å; N133-R136 VanDerWaalsContact OD1-CZ 3.29Å; N133-R136 PolarHBondContact OD1-NE 2.92Å; N133-R136 PolarHBondContact OD1-NH2 2.99Å; L134-R136 PolarHBondContact O-N 2.77Å; R136-N140 WeakPolarHBondContact O-CB 3.27Å; R136-N140 VanDerWaalsContact O-CG 3.23Å; R136-N140 PolarHBondContact O-N 2.96Å; R136-N140 PolarHBondContact O-ND2 3.01Å
137	V	97.9	Very high	95.1	Very high	10 Å²	10	59.2 Å²	59.2	6%	0.061	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-43.9	-179	175.8	0	0	0	0	110.2	E104 M107 N133 L134 H141	E104-V137 HydrophobicContact CB-CG2 4.48Å; E104-V137 HydrophobicContact CG-CG2 4.21Å; M107-V137 HydrophobicContact CB-CG1 4.41Å; M107-V137 HydrophobicContact CE-CB 3.98Å; M107-V137 HydrophobicContact CE-CG1 3.85Å; M107-V137 HydrophobicContact CG-CG1 3.98Å; M107-V137 HydrophobicContact SD-CB 3.89Å; M107-V137 HydrophobicContact SD-CG1 3.66Å; N133-V137 WeakPolarHBondContact O-CG2 3.2Å; N133-V137 PolarHBondContact O-N 2.82Å; L134-V137 PolarHBondContact O-N 2.82Å; V137-H141 WeakPolarHBondContact O-CB 3.31Å; V137-H141 PolarHBondContact O-N 2.87Å
138	L	98	Very high	95.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.3	-47.5	179	-179.2	60.2	0	0	0	112.2	M107 L111 L134 N140 H141 I142 F151 M153 F192 I202	M107-L138 HydrophobicContact CE-CB 3.96Å; L111-L138 HydrophobicContact CD1-CD1 4.24Å; L134-L138 VanDerWaalsContact O-CB 3.29Å; L134-L138 WeakPolarHBondContact O-CB 3.31Å; L134-L138 PolarHBondContact O-N 2.84Å; L138-N140 PolarHBondContact O-N 2.9Å; L138-H141 PolarHBondContact O-N 2.96Å; L138-I142 HydrophobicContact CD1-CD1 4.11Å; L138-I142 HydrophobicContact CD1-CG1 4.34Å; L138-I142 HydrophobicContact CG-CD1 3.88Å; L138-I142 WeakPolarHBondContact O-CG1 3.36Å; L138-I142 PolarHBondContact O-N 3.38Å; L138-F151 HydrophobicContact CD1-CB 4.38Å; L138-F151 HydrophobicContact CD1-CD1 3.5Å; L138-F151 HydrophobicContact CD1-CD2 4.07Å; L138-F151 HydrophobicContact CD1-CE1 3.67Å; L138-F151 HydrophobicContact CD1-CE2 4.22Å; L138-F151 HydrophobicContact CD1-CG 3.69Å; L138-F151 HydrophobicContact CD1-CZ 4Å; L138-F151 HydrophobicContact CD2-CB 4.26Å; L138-F151 HydrophobicContact CD2-CG 4.43Å; L138-M153 HydrophobicContact CD2-SD 4.13Å; L138-F192 HydrophobicContact CD2-CE1 4.36Å; L138-F192 HydrophobicContact CD2-CZ 3.83Å; L138-I202 HydrophobicContact CD2-CD1 3.82Å; L138-I202 HydrophobicContact CD2-CG1 4.22Å; L138-I202 HydrophobicContact CG-CD1 4.43Å
139	T	97.3	Very high	95.4	Very high	44 Å²	44	56.4 Å²	56.4	27%	0.27	30%	0.297	S	S	.	.	H	α-helix	trans	-62.2	-43.1	-180	-61.3	0	0	0	0	111.4	A135 H141 I142 H143	A135-T139 VanDerWaalsContact O-CB 3.23Å; A135-T139 WeakPolarHBondContact O-CB 3.23Å; A135-T139 PolarHBondContact O-N 2.87Å; A135-T139 PolarHBondContact O-OG1 2.64Å; T139-H141 PolarHBondContact O-N 2.92Å; T139-I142 PolarHBondContact O-N 3.48Å; T139-H143 WeakPolarHBondContact O-CB 3.5Å; T139-H143 PolarHBondContact O-N 3.1Å
140	N	97.3	Very high	95.8	Very high	82 Å²	82	53.3 Å²	53.3	44%	0.439	28%	0.283	S	S	.	.	H	α-helix	trans	-61.2	-43.7	174.8	-74.1	-12.4	0	0	0	111.9	R136 L138 H143 T144	R136-N140 WeakPolarHBondContact O-CB 3.27Å; R136-N140 VanDerWaalsContact O-CG 3.23Å; R136-N140 PolarHBondContact O-N 2.96Å; R136-N140 PolarHBondContact O-ND2 3.01Å; L138-N140 PolarHBondContact O-N 2.9Å; N140-H143 PolarHBondContact O-N 2.79Å; N140-T144 WeakPolarHBondContact O-CB 3.47Å; N140-T144 WeakPolarHBondContact O-CG2 3.32Å; N140-T144 PolarHBondContact O-N 3.31Å; N140-T144 PolarHBondContact O-OG1 3.35Å
141	H	97.6	Very high	96	Very high	3 Å²	3	50.6 Å²	50.6	1%	0.014	27%	0.269	C	S	.	.	H	α-helix	trans	-61.5	-45.8	175.9	172.8	75.1	0	0	0	111.5	L108 L111 N112 V137 L138 T139 H143 G145 H147 F151	L108-H141 HydrophobicContact CD1-CB 4.41Å; L111-H141 VanDerWaalsContact C-CE1 3.5Å; L111-H141 HydrophobicContact CD1-CB 4.16Å; L111-H141 PolarHBondContact O-CE1 3.29Å; N112-H141 PolarHBondContact OD1-CE1 2.99Å; N112-H141 PolarHBondContact OD1-ND1 3.09Å; N112-H141 VanDerWaalsContact OD1-ND1 3.07Å; V137-H141 WeakPolarHBondContact O-CB 3.31Å; V137-H141 PolarHBondContact O-N 2.87Å; L138-H141 PolarHBondContact O-N 2.96Å; T139-H141 PolarHBondContact O-N 2.92Å; H141-H143 VanDerWaalsContact C-N 3.32Å; H141-H143 PolarHBondContact O-N 2.78Å; H141-G145 WeakPolarHBondContact O-CA 3.43Å; H141-G145 PolarHBondContact O-N 2.96Å; H141-H147 AromaticContact CD2-NE2 3.94Å; H141-H147 AromaticContact CE1-CE1 3.9Å; H141-H147 AromaticContact CE1-NE2 3.51Å; H141-H147 AromaticContact NE2-CE1 3.2Å; H141-H147 PolarHBondContact NE2-CE1 2.69Å; H141-H147 AromaticContact NE2-NE2 3.2Å; H141-H147 PolarHBondContact NE2-NE2 2.79Å; H141-H147 VanDerWaalsContact NE2-NE2 3.2Å; H141-F151 AromaticContact CD2-CZ 3.61Å; H141-F151 AromaticContact NE2-CZ 3.78Å
142	I	96.8	Very high	96.1	Very high	23 Å²	23	51.1 Å²	51.1	12%	0.118	27%	0.27	C	S	.	.	H	α-helix	trans	-57.9	-43.1	175.6	-73.3	167.2	0	0	0	112	L138 T139 F151 R201 I202	L138-I142 HydrophobicContact CD1-CD1 4.11Å; L138-I142 HydrophobicContact CD1-CG1 4.34Å; L138-I142 HydrophobicContact CG-CD1 3.88Å; L138-I142 WeakPolarHBondContact O-CG1 3.36Å; L138-I142 PolarHBondContact O-N 3.38Å; T139-I142 PolarHBondContact O-N 3.48Å; I142-F151 HydrophobicContact CD1-CD2 3.68Å; I142-F151 HydrophobicContact CD1-CE2 3.87Å; I142-F151 HydrophobicContact CG1-CD2 3.79Å; I142-F151 HydrophobicContact CG1-CE2 3.4Å; I142-F151 HydrophobicContact CG1-CZ 4.19Å; I142-R201 HydrophobicContact CD1-CB 4.49Å; I142-R201 PolarHBondContact O-NH1 3.12Å; I142-I202 HydrophobicContact CD1-CD1 3.91Å; I142-I202 HydrophobicContact CD1-CG1 3.85Å
143	H	94.2	Very high	96.2	Very high	167 Å²	167	47.6 Å²	47.6	77%	0.773	25%	0.249	S	C	*	.	H	α-helix	trans	-76.5	-36.7	-173.9	-160.7	81.5	0	0	0	112.9	T139 N140 H141	T139-H143 WeakPolarHBondContact O-CB 3.5Å; T139-H143 PolarHBondContact O-N 3.1Å; N140-H143 PolarHBondContact O-N 2.79Å; H141-H143 VanDerWaalsContact C-N 3.32Å; H141-H143 PolarHBondContact O-N 2.78Å
144	T	94.6	Very high	96.2	Very high	99 Å²	99	49.5 Å²	49.5	61%	0.607	26%	0.255	S	S	*	.	H	α-helix	trans	-85.4	-19.4	178.4	59	0	0	0	0	113.4	N140	N140-T144 WeakPolarHBondContact O-CB 3.47Å; N140-T144 WeakPolarHBondContact O-CG2 3.32Å; N140-T144 PolarHBondContact O-N 3.31Å; N140-T144 PolarHBondContact O-OG1 3.35Å
145	G	88.2	Confident	96.2	Very high	19 Å²	19	49.2 Å²	49.2	20%	0.196	25%	0.254	C	S	.	.			trans	-87.2	126.6	-174.5	0	0	0	0	0	113.7	H141 H147	H141-G145 WeakPolarHBondContact O-CA 3.43Å; H141-G145 PolarHBondContact O-N 2.96Å; G145-H147 VanDerWaalsContact C-N 3.32Å; G145-H147 PolarHBondContact O-N 3.5Å
146	H	88.4	Confident	96.1	Very high	198 Å²	198	49.8 Å²	49.8	92%	0.917	26%	0.257	S	S	*	.			trans	-88.5	59.8	173.2	-58.8	-62.9	0	0	0	112.2
147	H	94.5	Very high	95.9	Very high	37 Å²	37	44.6 Å²	44.6	17%	0.171	24%	0.238	C	C	.	.			trans	-143.2	160.8	179	61.1	106.2	0	0	0	111	A115 H141 G145 S149 F151 R201	A115-H147 HydrophobicContact CB-CB 4.28Å; H141-H147 AromaticContact CD2-NE2 3.94Å; H141-H147 AromaticContact CE1-CE1 3.9Å; H141-H147 AromaticContact CE1-NE2 3.51Å; H141-H147 AromaticContact NE2-CE1 3.2Å; H141-H147 PolarHBondContact NE2-CE1 2.69Å; H141-H147 AromaticContact NE2-NE2 3.2Å; H141-H147 PolarHBondContact NE2-NE2 2.79Å; H141-H147 VanDerWaalsContact NE2-NE2 3.2Å; G145-H147 VanDerWaalsContact C-N 3.32Å; G145-H147 PolarHBondContact O-N 3.5Å; H147-S149 WeakPolarHBondContact ND1-CB 3.47Å; H147-S149 PolarHBondContact ND1-OG 3.28Å; H147-S149 VanDerWaalsContact ND1-OG 3.13Å; H147-F151 AromaticContact CE1-CZ 4Å; H147-R201 PolarHBondContact CE1-NH2 3.4Å; H147-R201 PolarHBondContact ND1-NH2 3.15Å; H147-R201 VanDerWaalsContact ND1-NH2 3.1Å; H147-R201 PolarHBondContact O-NH1 3.02Å; H147-R201 VanDerWaalsContact O-NH1 3.09Å; H147-R201 PolarHBondContact O-NH2 3.45Å
148	S	93.5	Very high	95.6	Very high	107 Å²	107	45.4 Å²	45.4	75%	0.748	24%	0.243	S	C	*	.			trans	-100.4	3.7	-174.4	53.8	0	0	0	0	114.7	M150	S148-M150 PolarHBondContact O-N 3.05Å
149	S	96.4	Very high	95.3	Very high	5 Å²	5	45.4 Å²	45.4	4%	0.035	24%	0.243	C	C	.	.			trans	-52.7	138.5	-176.8	-48	0	0	0	0	112.7	L119 H147 R201	L119-S149 WeakPolarHBondContact O-CB 3.5Å; L119-S149 PolarHBondContact O-OG 3.3Å; H147-S149 WeakPolarHBondContact ND1-CB 3.47Å; H147-S149 PolarHBondContact ND1-OG 3.28Å; H147-S149 VanDerWaalsContact ND1-OG 3.13Å; S149-R201 VanDerWaalsContact O-CZ 3.31Å; S149-R201 PolarHBondContact O-NE 3.39Å; S149-R201 PolarHBondContact O-NH2 3.45Å
150	M	97.7	Very high	94.6	Very high	52 Å²	52	47.3 Å²	47.3	26%	0.256	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	155.6	171.8	-63.6	-64.5	-66.3	0	0	110.8	P120 A121 F122 S148 K200 R201	P120-M150 PolarHBondContact O-N 3.25Å; A121-M150 CarbonylContact C-O 3.59Å; A121-M150 WeakPolarHBondContact CA-O 3.25Å; A121-M150 HydrophobicContact CB-CB 4.26Å; F122-M150 PolarHBondContact N-O 3.29Å; S148-M150 PolarHBondContact O-N 3.05Å; M150-K200 WeakPolarHBondContact CE-O 3.42Å; M150-R201 HydrophobicContact SD-CB 4.5Å
151	F	98.3	Very high	93.9	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	114.3	178.5	-63.3	-77.6	0	0	0	109	L111 F122 L124 L138 H141 I142 H147 R201 I202 A203	L111-F151 HydrophobicContact CD2-CE1 3.87Å; F122-F151 HydrophobicContact CB-CD1 3.88Å; F122-F151 HydrophobicContact CB-CE1 4.01Å; F122-F151 CarbonylContact O-C 3.59Å; F122-F151 WeakPolarHBondContact O-CA 3.48Å; L124-F151 HydrophobicContact CD1-CB 4.19Å; L124-F151 HydrophobicContact CD1-CD1 3.76Å; L124-F151 HydrophobicContact CD1-CG 4.46Å; L138-F151 HydrophobicContact CD1-CB 4.38Å; L138-F151 HydrophobicContact CD1-CD1 3.5Å; L138-F151 HydrophobicContact CD1-CD2 4.07Å; L138-F151 HydrophobicContact CD1-CE1 3.67Å; L138-F151 HydrophobicContact CD1-CE2 4.22Å; L138-F151 HydrophobicContact CD1-CG 3.69Å; L138-F151 HydrophobicContact CD1-CZ 4Å; L138-F151 HydrophobicContact CD2-CB 4.26Å; L138-F151 HydrophobicContact CD2-CG 4.43Å; H141-F151 AromaticContact CD2-CZ 3.61Å; H141-F151 AromaticContact NE2-CZ 3.78Å; I142-F151 HydrophobicContact CD1-CD2 3.68Å; I142-F151 HydrophobicContact CD1-CE2 3.87Å; I142-F151 HydrophobicContact CG1-CD2 3.79Å; I142-F151 HydrophobicContact CG1-CE2 3.4Å; I142-F151 HydrophobicContact CG1-CZ 4.19Å; H147-F151 AromaticContact CE1-CZ 4Å; F151-R201 HydrophobicContact CD2-CB 4.41Å; F151-R201 PolarHBondContact N-O 3.05Å; F151-I202 HydrophobicContact CB-CG1 4.29Å; F151-I202 CarbonylContact O-C 3.57Å; F151-I202 WeakPolarHBondContact O-CA 3.18Å; F151-A203 PolarHBondContact O-N 3.11Å
152	W	98.6	Very high	93.1	Very high	18 Å²	18	50.5 Å²	50.5	7%	0.068	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	112.3	-178.5	-64.2	-6.9	0	0	0	108.6	F40 V83 A121 F122 L123 L124 R154 A203 A205 A228 I265	F40-W152 HydrophobicContact CE2-CZ3 4.23Å; F40-W152 HydrophobicContact CZ-CH2 4.49Å; F40-W152 HydrophobicContact CZ-CZ3 4.43Å; V83-W152 HydrophobicContact CG1-CE3 4.04Å; V83-W152 HydrophobicContact CG1-CZ3 3.99Å; V83-W152 HydrophobicContact CG2-CH2 4.02Å; V83-W152 HydrophobicContact CG2-CZ3 3.83Å; A121-W152 HydrophobicContact CB-CD2 3.73Å; A121-W152 HydrophobicContact CB-CE3 4.16Å; A121-W152 HydrophobicContact CB-CG 4.24Å; A121-W152 HydrophobicContact CB-CH2 3.99Å; A121-W152 HydrophobicContact CB-CZ2 3.54Å; A121-W152 HydrophobicContact CB-CZ3 4.28Å; F122-W152 PolarHBondContact O-N 3.32Å; L123-W152 CarbonylContact C-O 3.57Å; L123-W152 VanDerWaalsContact CA-O 3.31Å; L123-W152 WeakPolarHBondContact CA-O 3.28Å; L123-W152 HydrophobicContact CD1-CB 3.78Å; L124-W152 PolarHBondContact N-O 2.85Å; W152-R154 PolarHBondContact O-N 3.41Å; W152-A203 WeakPolarHBondContact CA-O 3.48Å; W152-A205 HydrophobicContact CB-CB 4.03Å; W152-A228 HydrophobicContact CE3-CB 4.1Å; W152-A228 HydrophobicContact CZ3-CB 4.18Å; W152-I265 HydrophobicContact CE3-CD1 4.34Å; W152-I265 HydrophobicContact CZ3-CD1 4.09Å
153	M	98.5	Very high	92.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	111.8	176.6	-53.7	-47.4	-59	0	0	108.2	L124 L126 L134 L138 V155 W189 F192 I202 A203 A205	L124-M153 HydrophobicContact CB-CE 3.68Å; L124-M153 HydrophobicContact CB-SD 4.01Å; L124-M153 HydrophobicContact CD1-SD 4.28Å; L124-M153 CarbonylContact O-C 3.52Å; L124-M153 WeakPolarHBondContact O-CA 3.49Å; L126-M153 HydrophobicContact CB-CE 4.47Å; L126-M153 HydrophobicContact CD1-CE 4.36Å; L134-M153 HydrophobicContact CD2-CE 3.93Å; L138-M153 HydrophobicContact CD2-SD 4.13Å; M153-V155 HydrophobicContact CB-CG2 4.32Å; M153-V155 PolarHBondContact O-N 3.02Å; M153-W189 HydrophobicContact CB-CE3 4.35Å; M153-W189 HydrophobicContact CB-CZ3 4.09Å; M153-W189 HydrophobicContact CG-CE3 4.45Å; M153-W189 HydrophobicContact CG-CZ3 3.82Å; M153-F192 HydrophobicContact CE-CD1 4.29Å; M153-F192 HydrophobicContact CE-CE1 3.56Å; M153-F192 HydrophobicContact CE-CE2 4.02Å; M153-F192 HydrophobicContact CE-CZ 3.39Å; M153-F192 HydrophobicContact CG-CD1 4.06Å; M153-F192 HydrophobicContact CG-CE1 3.58Å; M153-F192 HydrophobicContact CG-CZ 4.37Å; M153-F192 HydrophobicContact SD-CE1 3.56Å; M153-F192 VanDerWaalsContact SD-CE1 3.56Å; M153-F192 HydrophobicContact SD-CZ 3.78Å; M153-I202 HydrophobicContact CG-CG2 3.6Å; M153-I202 HydrophobicContact SD-CG2 4.19Å; M153-A203 PolarHBondContact N-O 3.21Å; M153-A205 PolarHBondContact O-N 3.39Å
154	R	98.1	Very high	91.1	Very high	54 Å²	54	49.9 Å²	49.9	20%	0.204	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	107	174	173.8	172.3	178.8	169.3	0.1	108.7	D19 L123 L124 L126 W152 A205 E207 I230	D19-R154 IonicContact OD2-NH1 2.64Å; L123-R154 HydrophobicContact CD1-CB 4.1Å; L123-R154 HydrophobicContact CD2-CB 4.48Å; L123-R154 HydrophobicContact CG-CB 4.18Å; L124-R154 PolarHBondContact O-N 3.21Å; L126-R154 PolarHBondContact N-O 3.09Å; W152-R154 PolarHBondContact O-N 3.41Å; R154-A205 VanDerWaalsContact CA-O 3.28Å; R154-A205 WeakPolarHBondContact CA-O 3.5Å; R154-E207 IonicContact CZ-OE1 2.98Å; R154-E207 IonicContact CZ-OE2 3.05Å; R154-E207 VanDerWaalsContact CZ-OE2 3.24Å; R154-E207 IonicContact NE-OE2 3.93Å; R154-E207 PolarHBondContact NE-OE2 3.36Å; R154-E207 IonicContact NH2-OE1 3.71Å; R154-E207 PolarHBondContact NH2-OE1 2.95Å; R154-E207 IonicContact NH2-OE2 2.73Å; R154-E207 PolarHBondContact NH2-OE2 3.31Å; R154-I230 HydrophobicContact CB-CD1 4.26Å; R154-I230 HydrophobicContact CG-CD1 3.71Å
155	V	97.5	Very high	89.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.8	178.8	-165.9	0	0	0	0	108.9	L126 M153 W189 V204 A205 L206 E207 W221	L126-V155 HydrophobicContact CB-CG2 4.14Å; L126-V155 HydrophobicContact CD2-CG2 3.83Å; M153-V155 HydrophobicContact CB-CG2 4.32Å; M153-V155 PolarHBondContact O-N 3.02Å; V155-W189 HydrophobicContact CG2-CB 4.47Å; V155-V204 HydrophobicContact CG2-CG1 4.31Å; V155-A205 PolarHBondContact N-O 2.84Å; V155-L206 CarbonylContact O-C 3.49Å; V155-L206 WeakPolarHBondContact O-CA 3.33Å; V155-E207 PolarHBondContact O-N 3.27Å; V155-W221 HydrophobicContact CB-CH2 4.21Å; V155-W221 HydrophobicContact CG1-CH2 3.76Å; V155-W221 HydrophobicContact CG1-CZ2 4.2Å
156	P	95.9	Very high	88.6	Confident	14 Å²	14	55.3 Å²	55.3	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	138.6	172.9	32.2	-34.4	0	0	0	110.4	V158 T185 W188	P156-V158 VanDerWaalsContact C-N 3.27Å; P156-V158 WeakPolarHBondContact CB-O 3.46Å; P156-V158 PolarHBondContact O-N 3.49Å; P156-T185 HydrophobicContact CG-CG2 4.07Å; P156-T185 WeakPolarHBondContact O-CB 3.18Å; P156-T185 VanDerWaalsContact O-CG2 3.27Å; P156-T185 WeakPolarHBondContact O-CG2 3.46Å; P156-T185 PolarHBondContact O-OG1 2.89Å; P156-W188 HydrophobicContact CG-CZ3 4.09Å
157	L	94.6	Very high	87.1	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.016	28%	0.277	C	S	.	.	S	Bend	trans	-62.7	-37.6	178.6	-178.8	57.1	0	0	0	111.6	T185 L206 E207 I208 L212 P213 W221 L253	L157-T185 PolarHBondContact O-OG1 2.71Å; L157-L206 HydrophobicContact CB-CD1 4.19Å; L157-L206 HydrophobicContact CB-CG 4.37Å; L157-L206 HydrophobicContact CD1-CD1 4.15Å; L157-L206 HydrophobicContact CD1-CD2 4.15Å; L157-L206 HydrophobicContact CD1-CG 4.48Å; L157-E207 WeakPolarHBondContact CB-O 3.38Å; L157-E207 PolarHBondContact N-O 3.02Å; L157-I208 HydrophobicContact CD2-CD1 4.16Å; L157-L212 HydrophobicContact CD2-CD2 3.88Å; L157-P213 HydrophobicContact CD1-CG 3.89Å; L157-P213 HydrophobicContact CD2-CG 4.09Å; L157-P213 HydrophobicContact CG-CG 3.79Å; L157-W221 HydrophobicContact CD1-CG 4Å; L157-L253 HydrophobicContact CD2-CD2 4.15Å
158	V	92.2	Very high	85.5	Confident	27 Å²	27	57.2 Å²	57.2	16%	0.164	30%	0.301	C	S	.	.	S	Bend	trans	-123.1	137.6	173.5	-178.2	0	0	0	0	108.2	P156 D162 L163 P213	P156-V158 VanDerWaalsContact C-N 3.27Å; P156-V158 WeakPolarHBondContact CB-O 3.46Å; P156-V158 PolarHBondContact O-N 3.49Å; V158-D162 HydrophobicContact CG1-CB 4.21Å; V158-L163 HydrophobicContact CB-CD2 4.32Å; V158-L163 HydrophobicContact CB-CG 4.5Å; V158-L163 HydrophobicContact CG1-CD2 3.85Å; V158-L163 HydrophobicContact CG1-CG 4.03Å; V158-P213 HydrophobicContact CG2-CB 4.42Å; V158-P213 HydrophobicContact CG2-CG 4.44Å
159	A	90.3	Very high	83.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.306	C	S	.	.			trans	-65.6	140.6	-177.1	0	0	0	0	0	110.7	E161 D162 L163 K184 T185 W188	A159-E161 PolarHBondContact O-N 3.19Å; A159-E161 VanDerWaalsContact O-N 3.12Å; A159-D162 WeakPolarHBondContact CB-OD2 3.41Å; A159-D162 PolarHBondContact O-N 2.91Å; A159-L163 PolarHBondContact O-N 2.99Å; A159-K184 HydrophobicContact CB-CD 3.79Å; A159-K184 HydrophobicContact CB-CG 4.42Å; A159-T185 HydrophobicContact CB-CG2 3.71Å; A159-W188 HydrophobicContact CB-CH2 3.94Å; A159-W188 HydrophobicContact CB-CZ2 4.28Å
160	P	84.3	Confident	81.9	Confident	84 Å²	84	67.7 Å²	67.7	55%	0.545	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.6	179	-26	34.6	0	0	0	114	D162 L163	P160-D162 VanDerWaalsContact C-N 3.3Å; P160-L163 PolarHBondContact O-N 2.81Å
161	E	81.5	Confident	80	Confident	91 Å²	91	68.7 Å²	68.7	43%	0.425	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-29.3	176.7	-65.5	170.1	-163.6	0	0	112.4	A159 L163 R164	A159-E161 PolarHBondContact O-N 3.19Å; A159-E161 VanDerWaalsContact O-N 3.12Å; E161-L163 VanDerWaalsContact C-N 3.32Å; E161-R164 WeakPolarHBondContact O-CD 3.34Å; E161-R164 WeakPolarHBondContact O-CG 3.26Å; E161-R164 PolarHBondContact O-NE 2.81Å
162	D	81.8	Confident	77.9	Confident	60 Å²	60	73.8 Å²	73.8	32%	0.321	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-11.7	-179.9	-54.6	-28.6	0	0	0	111.5	V158 A159 P160 K184	V158-D162 HydrophobicContact CG1-CB 4.21Å; A159-D162 WeakPolarHBondContact CB-OD2 3.41Å; A159-D162 PolarHBondContact O-N 2.91Å; P160-D162 VanDerWaalsContact C-N 3.3Å; D162-K184 IonicContact OD1-NZ 3.48Å; D162-K184 PolarHBondContact OD1-NZ 3.06Å; D162-K184 IonicContact OD2-NZ 3.44Å
163	L	77.4	Confident	75.8	Confident	73 Å²	73	77 Å²	77	38%	0.382	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-3.2	175.3	-63.5	175.7	0	0	0	113.1	V158 A159 P160 E161 D211	V158-L163 HydrophobicContact CB-CD2 4.32Å; V158-L163 HydrophobicContact CB-CG 4.5Å; V158-L163 HydrophobicContact CG1-CD2 3.85Å; V158-L163 HydrophobicContact CG1-CG 4.03Å; A159-L163 PolarHBondContact O-N 2.99Å; P160-L163 PolarHBondContact O-N 2.81Å; E161-L163 VanDerWaalsContact C-N 3.32Å; L163-D211 HydrophobicContact CD2-CB 3.98Å
164	R	71.1	Confident	73.5	Confident	104 Å²	104	82.8 Å²	82.8	39%	0.392	45%	0.449	S	S	.	.			trans	-76.2	126.9	-179.1	77.9	-164.8	-175.8	166.4	16.3	109.3	E161 D166	E161-R164 WeakPolarHBondContact O-CD 3.34Å; E161-R164 WeakPolarHBondContact O-CG 3.26Å; E161-R164 PolarHBondContact O-NE 2.81Å; R164-D166 VanDerWaalsContact CD-OD1 3.3Å; R164-D166 WeakPolarHBondContact CD-OD1 3.48Å; R164-D166 WeakPolarHBondContact CG-OD1 3.35Å; R164-D166 IonicContact CZ-OD1 3.83Å; R164-D166 IonicContact CZ-OD2 3.82Å; R164-D166 IonicContact NE-OD1 3.12Å; R164-D166 PolarHBondContact NE-OD1 3.14Å; R164-D166 IonicContact NE-OD2 3.81Å; R164-D166 PolarHBondContact NE-OD2 3.38Å; R164-D166 IonicContact NH2-OD1 3.93Å; R164-D166 PolarHBondContact NH2-OD1 2.86Å; R164-D166 IonicContact NH2-OD2 2.8Å; R164-D166 PolarHBondContact NH2-OD2 3.09Å; R164-D166 PolarHBondContact O-N 3.06Å
165	D	66.8	Low	71.3	Confident	138 Å²	138	85.5 Å²	85.5	74%	0.738	46%	0.464	S	S	*	.			trans	-71	111.5	159.7	-69.2	-39.1	0	0	0	106.5	I167	D165-I167 HydrophobicContact CB-CD1 3.91Å; D165-I167 HydrophobicContact CB-CG1 3.68Å; D165-I167 PolarHBondContact O-N 3.22Å
166	D	62.7	Low	69.1	Low	94 Å²	94	92.1 Å²	92.1	50%	0.503	50%	0.504	S	S	.	.			trans	-70.5	51.9	176.3	-83	-25.6	0	0	0	111.7	R164 I168	R164-D166 VanDerWaalsContact CD-OD1 3.3Å; R164-D166 WeakPolarHBondContact CD-OD1 3.48Å; R164-D166 WeakPolarHBondContact CG-OD1 3.35Å; R164-D166 IonicContact CZ-OD1 3.83Å; R164-D166 IonicContact CZ-OD2 3.82Å; R164-D166 IonicContact NE-OD1 3.12Å; R164-D166 PolarHBondContact NE-OD1 3.14Å; R164-D166 IonicContact NE-OD2 3.81Å; R164-D166 PolarHBondContact NE-OD2 3.38Å; R164-D166 IonicContact NH2-OD1 3.93Å; R164-D166 PolarHBondContact NH2-OD1 2.86Å; R164-D166 IonicContact NH2-OD2 2.8Å; R164-D166 PolarHBondContact NH2-OD2 3.09Å; R164-D166 PolarHBondContact O-N 3.06Å; D166-I168 PolarHBondContact O-N 2.8Å; D166-I168 VanDerWaalsContact O-N 3.09Å
167	I	58.2	Low	67.2	Low	144 Å²	144	96 Å²	96	74%	0.738	52%	0.521	S	S	*	.			trans	-62.2	-17.6	177.2	-55.3	178.4	0	0	0	110.9	D165	D165-I167 HydrophobicContact CB-CD1 3.91Å; D165-I167 HydrophobicContact CB-CG1 3.68Å; D165-I167 PolarHBondContact O-N 3.22Å
168	I	60.2	Low	65.6	Low	132 Å²	132	103 Å²	103	68%	0.677	55%	0.554	S	S	*	*			trans	-116.8	92.5	176.9	-51.5	178.4	0	0	0	109.2	D166 N170	D166-I168 PolarHBondContact O-N 2.8Å; D166-I168 VanDerWaalsContact O-N 3.09Å; I168-N170 HydrophobicContact CG2-CB 4.2Å; I168-N170 PolarHBondContact O-N 2.92Å
169	E	57.8	Low	64.3	Low	184 Å²	184	104.5 Å²	104.5	86%	0.86	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	6.7	179.2	-75.8	-175.5	151.1	0	0	116.1	A171	E169-A171 PolarHBondContact O-N 3.48Å
170	N	56	Low	63.2	Low	148 Å²	148	107.4 Å²	107.4	79%	0.791	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	9.9	-166.5	-70.4	-32	0	0	0	116	I168	I168-N170 HydrophobicContact CG2-CB 4.2Å; I168-N170 PolarHBondContact O-N 2.92Å
171	A	58.2	Low	62.7	Low	72 Å²	72	104.5 Å²	104.5	60%	0.595	56%	0.563	S	S	*	*	S	Bend	trans	-129.7	103.2	172.3	0	0	0	0	0	110.2	E169 T173	E169-A171 PolarHBondContact O-N 3.48Å; A171-T173 PolarHBondContact O-N 3.16Å
172	P	53.3	Low	62.7	Low	110 Å²	110	104.1 Å²	104.1	71%	0.714	56%	0.561	S	S	*	*			trans	-58.5	127.3	169.8	22.1	-29.6	0	0	0	109	T174	P172-T174 PolarHBondContact O-N 3.5Å
173	T	55	Low	62.9	Low	85 Å²	85	101.5 Å²	101.5	52%	0.521	55%	0.547	S	S	.	.			trans	-59.5	109.6	171.5	2.5	0	0	0	0	108	A171 H175	A171-T173 PolarHBondContact O-N 3.16Å; T173-H175 PolarHBondContact O-N 3.22Å
174	T	50.1	Low	63.5	Low	122 Å²	122	99.5 Å²	99.5	75%	0.748	54%	0.535	S	S	*	.			trans	-78.9	5.9	-178.9	46.9	0	0	0	0	113.5	P172	P172-T174 PolarHBondContact O-N 3.5Å
175	H	51.6	Low	64.7	Low	111 Å²	111	94.6 Å²	94.6	51%	0.514	52%	0.517	S	S	.	.			trans	-92.5	108.5	-179.1	-63.8	-77.7	0	0	0	109.2	T173 E177	T173-H175 PolarHBondContact O-N 3.22Å; H175-E177 HydrophobicContact CB-CG 4.02Å; H175-E177 PolarHBondContact O-N 3.05Å
176	T	51.1	Low	66.1	Low	139 Å²	139	88 Å²	88	85%	0.853	48%	0.482	S	S	*	.			trans	-65.3	91.8	154.3	41.2	0	0	0	0	106.6	E178	T176-E178 PolarHBondContact O-N 3.03Å
177	E	56.8	Low	67.6	Low	95 Å²	95	84.4 Å²	84.4	44%	0.444	46%	0.462	S	S	.	.			trans	-71.3	118.7	-177	-61.2	-172.1	152.2	0	0	109.4	H175 Y179 K184	H175-E177 HydrophobicContact CB-CG 4.02Å; H175-E177 PolarHBondContact O-N 3.05Å; E177-Y179 PolarHBondContact O-N 2.94Å; E177-K184 WeakPolarHBondContact OE1-CE 3.46Å; E177-K184 IonicContact OE1-NZ 2.69Å; E177-K184 PolarHBondContact OE1-NZ 3.2Å
178	E	61.1	Low	69.4	Low	150 Å²	150	78.1 Å²	78.1	70%	0.701	43%	0.429	S	S	*	.	S	Bend	trans	-70	-19.5	174.6	-75.9	-169.2	174.2	0	0	112.6	T176	T176-E178 PolarHBondContact O-N 3.03Å
179	Y	65.1	Low	71.2	Confident	58 Å²	58	72 Å²	72	23%	0.227	40%	0.397	C	S	.	.	S	Bend	trans	-140.8	161.4	-174.1	-45.8	-81.1	0	0	0	110.6	E177 M187 R593	E177-Y179 PolarHBondContact O-N 2.94Å; Y179-M187 HydrophobicContact CD1-CE 4.32Å; Y179-M187 HydrophobicContact CD2-CE 4.23Å; Y179-M187 HydrophobicContact CE1-CE 4.19Å; Y179-M187 HydrophobicContact CE2-CE 4.12Å; Y179-M187 HydrophobicContact CG-CE 4.36Å; Y179-R593 PolarHBondContact OH-NH2 3.15Å; Y179-R593 VanDerWaalsContact OH-NH2 3.14Å
180	S	67.8	Low	73	Confident	61 Å²	61	63.6 Å²	63.6	43%	0.427	36%	0.358	S	S	.	.			trans	-65.3	158.5	178.6	72.4	0	0	0	0	112.8	E182 E183	S180-E182 VanDerWaalsContact C-N 3.26Å; S180-E182 PolarHBondContact O-N 2.8Å; S180-E183 WeakPolarHBondContact O-CB 3.43Å; S180-E183 PolarHBondContact O-N 2.64Å; S180-E183 VanDerWaalsContact OG-CG 3.23Å; S180-E183 WeakPolarHBondContact OG-CG 3.48Å
181	G	73.9	Confident	74.9	Confident	24 Å²	24	59.4 Å²	59.4	25%	0.247	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-55.3	-36.7	179.2	0	0	0	0	0	114	E183 K184	G181-E183 PolarHBondContact O-N 2.72Å; G181-K184 WeakPolarHBondContact O-CB 3.25Å; G181-K184 PolarHBondContact O-N 3.14Å
182	E	81	Confident	76.8	Confident	83 Å²	83	56 Å²	56	39%	0.388	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-67.1	-18	178.6	-59.3	-163.4	163.8	0	0	113.8	S180 P213 S214 V217	S180-E182 VanDerWaalsContact C-N 3.26Å; S180-E182 PolarHBondContact O-N 2.8Å; E182-P213 HydrophobicContact CG-CB 4.47Å; E182-S214 WeakPolarHBondContact OE2-CB 3.47Å; E182-S214 PolarHBondContact OE2-N 2.8Å; E182-S214 PolarHBondContact OE2-OG 3.48Å; E182-V217 HydrophobicContact CB-CG2 4.09Å
183	E	85.7	Confident	78.9	Confident	4 Å²	4	51 Å²	51	2%	0.019	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-92.5	-17.9	-176	-63.2	-70.3	102.8	0	0	113.2	S180 G181 T185 W186 M187 R220 N545	S180-E183 WeakPolarHBondContact O-CB 3.43Å; S180-E183 PolarHBondContact O-N 2.64Å; S180-E183 VanDerWaalsContact OG-CG 3.23Å; S180-E183 WeakPolarHBondContact OG-CG 3.48Å; G181-E183 PolarHBondContact O-N 2.72Å; E183-T185 PolarHBondContact O-N 2.94Å; E183-W186 PolarHBondContact O-N 3Å; E183-M187 PolarHBondContact O-N 2.83Å; E183-R220 IonicContact OE1-CZ 2.77Å; E183-R220 IonicContact OE1-NH1 3.18Å; E183-R220 PolarHBondContact OE1-NH1 3.24Å; E183-R220 IonicContact OE1-NH2 2.9Å; E183-R220 PolarHBondContact OE1-NH2 3.45Å; E183-R220 IonicContact OE2-CZ 2.73Å; E183-R220 IonicContact OE2-NH1 3.54Å; E183-R220 PolarHBondContact OE2-NH1 3.42Å; E183-R220 IonicContact OE2-NH2 3.78Å; E183-N545 WeakPolarHBondContact OE2-CB 3.15Å; E183-N545 PolarHBondContact OE2-N 3.26Å; E183-N545 VanDerWaalsContact OE2-N 3.09Å; E183-N545 PolarHBondContact OE2-ND2 2.81Å
184	K	90.9	Very high	80.9	Confident	32 Å²	32	50.2 Å²	50.2	14%	0.139	27%	0.269	C	S	.	.	H	α-helix	trans	-56.7	-53.8	-167.8	-171.7	178	-67	174.5	0	112.6	A159 D162 E177 G181 W186 M187 W188	A159-K184 HydrophobicContact CB-CD 3.79Å; A159-K184 HydrophobicContact CB-CG 4.42Å; D162-K184 IonicContact OD1-NZ 3.48Å; D162-K184 PolarHBondContact OD1-NZ 3.06Å; D162-K184 IonicContact OD2-NZ 3.44Å; E177-K184 WeakPolarHBondContact OE1-CE 3.46Å; E177-K184 IonicContact OE1-NZ 2.69Å; E177-K184 PolarHBondContact OE1-NZ 3.2Å; G181-K184 WeakPolarHBondContact O-CB 3.25Å; G181-K184 PolarHBondContact O-N 3.14Å; K184-W186 PolarHBondContact O-N 3.3Å; K184-M187 WeakPolarHBondContact O-CB 3.1Å; K184-M187 PolarHBondContact O-N 3.29Å; K184-W188 HydrophobicContact CD-CZ2 3.97Å; K184-W188 HydrophobicContact CG-CZ2 3.76Å; K184-W188 PolarHBondContact O-N 2.76Å; K184-W188 VanDerWaalsContact O-N 3.14Å; K184-W188 PolarHBondContact O-NE1 2.96Å
185	T	95.2	Very high	83.2	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-70.8	-32.5	-175	61.7	0	0	0	0	112.8	P156 L157 A159 E183 M187 W188 W189	P156-T185 HydrophobicContact CG-CG2 4.07Å; P156-T185 WeakPolarHBondContact O-CB 3.18Å; P156-T185 VanDerWaalsContact O-CG2 3.27Å; P156-T185 WeakPolarHBondContact O-CG2 3.46Å; P156-T185 PolarHBondContact O-OG1 2.89Å; L157-T185 PolarHBondContact O-OG1 2.71Å; A159-T185 HydrophobicContact CB-CG2 3.71Å; E183-T185 PolarHBondContact O-N 2.94Å; T185-M187 VanDerWaalsContact C-N 3.34Å; T185-W188 HydrophobicContact CG2-CE3 4.19Å; T185-W188 HydrophobicContact CG2-CH2 4.27Å; T185-W188 HydrophobicContact CG2-CZ3 3.98Å; T185-W188 WeakPolarHBondContact O-CB 3.25Å; T185-W188 PolarHBondContact O-N 2.9Å; T185-W189 PolarHBondContact O-N 3.02Å
186	W	95.9	Very high	85.4	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.8	-37.8	173.2	-177.8	89.2	0	0	0	110.9	E183 K184 W188 W189 H190 R220 W221 E224 N545 V547	E183-W186 PolarHBondContact O-N 3Å; K184-W186 PolarHBondContact O-N 3.3Å; W186-W188 VanDerWaalsContact C-N 3.32Å; W186-W188 PolarHBondContact O-N 3.27Å; W186-W189 CarbonylContact O-C 3.45Å; W186-W189 WeakPolarHBondContact O-CB 3.34Å; W186-W189 PolarHBondContact O-N 2.73Å; W186-H190 HydrophobicContact CD2-CB 4.39Å; W186-H190 HydrophobicContact CE3-CB 4.06Å; W186-H190 HydrophobicContact CH2-CB 3.84Å; W186-H190 AromaticContact CH2-CD2 3.89Å; W186-H190 AromaticContact CH2-CG 3.76Å; W186-H190 HydrophobicContact CZ2-CB 4.21Å; W186-H190 HydrophobicContact CZ3-CB 3.76Å; W186-H190 AromaticContact CZ3-CD2 3.89Å; W186-H190 AromaticContact CZ3-CG 3.94Å; W186-H190 WeakPolarHBondContact O-CB 3.39Å; W186-H190 PolarHBondContact O-N 2.76Å; W186-R220 VanDerWaalsContact CG-NE 3.3Å; W186-W221 HydrophobicContact CB-CH2 4.44Å; W186-W221 HydrophobicContact CB-CZ2 3.81Å; W186-W221 HydrophobicContact CG-CZ2 4.44Å; W186-E224 PolarHBondContact NE1-OE1 3Å; W186-N545 HydrophobicContact CE3-CB 4.49Å; W186-N545 HydrophobicContact CZ3-CB 4.07Å; W186-V547 HydrophobicContact CH2-CG2 4.14Å; W186-V547 HydrophobicContact CZ2-CG2 4.44Å
187	M	94.7	Very high	87.5	Confident	18 Å²	18	41.7 Å²	41.7	9%	0.089	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-38.3	175.3	-164.5	60.2	67.4	0	0	111.9	Y179 E183 K184 T185 W189 H190 N191 N545	Y179-M187 HydrophobicContact CD1-CE 4.32Å; Y179-M187 HydrophobicContact CD2-CE 4.23Å; Y179-M187 HydrophobicContact CE1-CE 4.19Å; Y179-M187 HydrophobicContact CE2-CE 4.12Å; Y179-M187 HydrophobicContact CG-CE 4.36Å; E183-M187 PolarHBondContact O-N 2.83Å; K184-M187 WeakPolarHBondContact O-CB 3.1Å; K184-M187 PolarHBondContact O-N 3.29Å; T185-M187 VanDerWaalsContact C-N 3.34Å; M187-W189 VanDerWaalsContact C-N 3.32Å; M187-W189 PolarHBondContact O-N 3.26Å; M187-H190 PolarHBondContact O-N 2.67Å; M187-N191 WeakPolarHBondContact O-CB 3.42Å; M187-N191 VanDerWaalsContact O-CG 3.29Å; M187-N191 PolarHBondContact O-N 3.5Å; M187-N191 PolarHBondContact O-ND2 3.45Å; M187-N545 HydrophobicContact CE-CB 4.16Å
188	W	95.9	Very high	89.4	Confident	12 Å²	12	38.2 Å²	38.2	5%	0.045	20%	0.2	C	C	.	.	H	α-helix	trans	-57.3	-48.4	172.8	-54.6	-9.9	0	0	0	110.9	L126 N127 Q128 E129 P156 A159 K184 T185 W186 F192	L126-W188 HydrophobicContact CD2-CB 4.13Å; L126-W188 HydrophobicContact CG-CB 4.37Å; N127-W188 VanDerWaalsContact C-CZ3 3.44Å; Q128-W188 VanDerWaalsContact O-CG 3.24Å; E129-W188 VanDerWaalsContact CA-CD1 3.46Å; P156-W188 HydrophobicContact CG-CZ3 4.09Å; A159-W188 HydrophobicContact CB-CH2 3.94Å; A159-W188 HydrophobicContact CB-CZ2 4.28Å; K184-W188 HydrophobicContact CD-CZ2 3.97Å; K184-W188 HydrophobicContact CG-CZ2 3.76Å; K184-W188 PolarHBondContact O-N 2.76Å; K184-W188 VanDerWaalsContact O-N 3.14Å; K184-W188 PolarHBondContact O-NE1 2.96Å; T185-W188 HydrophobicContact CG2-CE3 4.19Å; T185-W188 HydrophobicContact CG2-CH2 4.27Å; T185-W188 HydrophobicContact CG2-CZ3 3.98Å; T185-W188 WeakPolarHBondContact O-CB 3.25Å; T185-W188 PolarHBondContact O-N 2.9Å; W186-W188 VanDerWaalsContact C-N 3.32Å; W186-W188 PolarHBondContact O-N 3.27Å; W188-F192 VanDerWaalsContact O-CB 3.25Å; W188-F192 WeakPolarHBondContact O-CB 3.33Å; W188-F192 PolarHBondContact O-N 3.42Å
189	W	97.5	Very high	91.1	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.015	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-45.8	176.6	168.3	-120.7	0	0	0	112.3	L126 M153 V155 T185 W186 M187 N191 F192 R193 I202 V204 W221 E224 P225	L126-W189 HydrophobicContact CD2-CB 4.25Å; L126-W189 HydrophobicContact CD2-CE3 4.46Å; M153-W189 HydrophobicContact CB-CE3 4.35Å; M153-W189 HydrophobicContact CB-CZ3 4.09Å; M153-W189 HydrophobicContact CG-CE3 4.45Å; M153-W189 HydrophobicContact CG-CZ3 3.82Å; V155-W189 HydrophobicContact CG2-CB 4.47Å; T185-W189 PolarHBondContact O-N 3.02Å; W186-W189 CarbonylContact O-C 3.45Å; W186-W189 WeakPolarHBondContact O-CB 3.34Å; W186-W189 PolarHBondContact O-N 2.73Å; M187-W189 VanDerWaalsContact C-N 3.32Å; M187-W189 PolarHBondContact O-N 3.26Å; W189-N191 PolarHBondContact O-N 3.14Å; W189-F192 HydrophobicContact CE3-CD1 4.3Å; W189-F192 HydrophobicContact CZ3-CD1 4.09Å; W189-F192 PolarHBondContact O-N 2.91Å; W189-R193 HydrophobicContact CD2-CB 4.44Å; W189-R193 HydrophobicContact CE3-CB 4.47Å; W189-R193 HydrophobicContact CH2-CB 3.99Å; W189-R193 HydrophobicContact CZ2-CB 3.93Å; W189-R193 HydrophobicContact CZ3-CB 4.26Å; W189-R193 WeakPolarHBondContact O-CG 3.32Å; W189-R193 PolarHBondContact O-N 3.44Å; W189-I202 HydrophobicContact CH2-CG2 3.98Å; W189-I202 HydrophobicContact CZ3-CG2 3.92Å; W189-V204 HydrophobicContact CD2-CG2 3.67Å; W189-V204 HydrophobicContact CE3-CG2 4.04Å; W189-V204 HydrophobicContact CG-CG2 4.27Å; W189-V204 HydrophobicContact CH2-CG2 3.86Å; W189-V204 HydrophobicContact CZ2-CG2 3.46Å; W189-V204 VanDerWaalsContact CZ2-CG2 3.46Å; W189-V204 HydrophobicContact CZ3-CG2 4.12Å; W189-W221 HydrophobicContact CB-CH2 3.86Å; W189-W221 HydrophobicContact CB-CZ3 4.31Å; W189-W221 AromaticContact CD1-CZ3 3.82Å; W189-W221 HydrophobicContact CG-CH2 4.17Å; W189-W221 HydrophobicContact CG-CZ3 4.13Å; W189-E224 VanDerWaalsContact NE1-CD 3.32Å; W189-E224 PolarHBondContact NE1-OE2 3.1Å; W189-P225 HydrophobicContact CZ2-CG 4.02Å
190	H	96.5	Very high	92.5	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.028	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-47.5	-179.7	175.7	34.4	0	0	0	112	W186 M187 F192 R193 T194 V547 T591	W186-H190 HydrophobicContact CD2-CB 4.39Å; W186-H190 HydrophobicContact CE3-CB 4.06Å; W186-H190 HydrophobicContact CH2-CB 3.84Å; W186-H190 AromaticContact CH2-CD2 3.89Å; W186-H190 AromaticContact CH2-CG 3.76Å; W186-H190 HydrophobicContact CZ2-CB 4.21Å; W186-H190 HydrophobicContact CZ3-CB 3.76Å; W186-H190 AromaticContact CZ3-CD2 3.89Å; W186-H190 AromaticContact CZ3-CG 3.94Å; W186-H190 WeakPolarHBondContact O-CB 3.39Å; W186-H190 PolarHBondContact O-N 2.76Å; M187-H190 PolarHBondContact O-N 2.67Å; H190-F192 VanDerWaalsContact C-N 3.34Å; H190-F192 PolarHBondContact O-N 3.31Å; H190-R193 PolarHBondContact ND1-NH2 3.17Å; H190-R193 VanDerWaalsContact ND1-NH2 3.11Å; H190-R193 WeakPolarHBondContact O-CG 3.46Å; H190-T194 PolarHBondContact CE1-OG1 3.5Å; H190-T194 PolarHBondContact ND1-OG1 3.11Å; H190-T194 WeakPolarHBondContact O-CB 3.44Å; H190-T194 PolarHBondContact O-N 3.44Å; H190-T194 VanDerWaalsContact O-N 3.09Å; H190-T194 PolarHBondContact O-OG1 3.37Å; H190-V547 WeakPolarHBondContact CE1-CG2 3.3Å; H190-T591 PolarHBondContact NE2-OG1 2.71Å
191	N	96.2	Very high	93.8	Very high	60 Å²	60	36.4 Å²	36.4	32%	0.321	19%	0.186	S	C	.	.	H	α-helix	trans	-62.9	-44	177	-70	-19.1	0	0	0	110.6	M187 W189 T194 L195	M187-N191 WeakPolarHBondContact O-CB 3.42Å; M187-N191 VanDerWaalsContact O-CG 3.29Å; M187-N191 PolarHBondContact O-N 3.5Å; M187-N191 PolarHBondContact O-ND2 3.45Å; W189-N191 PolarHBondContact O-N 3.14Å; N191-T194 PolarHBondContact O-N 3.41Å; N191-L195 VanDerWaalsContact O-CG 3.32Å; N191-L195 WeakPolarHBondContact O-CG 3.47Å; N191-L195 PolarHBondContact O-N 2.77Å
192	F	98.3	Very high	95	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-63	-48.6	179.2	-175.6	-95.3	0	0	0	113.1	L126 N131 L134 A135 L138 M153 W188 W189 H190 T194 L195 C196 I202	L126-F192 HydrophobicContact CD1-CB 3.94Å; L126-F192 HydrophobicContact CD1-CD1 4.46Å; L126-F192 HydrophobicContact CD1-CD2 3.66Å; L126-F192 HydrophobicContact CD1-CE2 4.27Å; L126-F192 HydrophobicContact CD1-CG 3.75Å; L126-F192 HydrophobicContact CD2-CB 4.1Å; L126-F192 HydrophobicContact CD2-CG 4.42Å; N131-F192 HydrophobicContact CB-CD2 3.84Å; N131-F192 HydrophobicContact CB-CE2 4.47Å; L134-F192 HydrophobicContact CB-CE2 4.24Å; L134-F192 HydrophobicContact CD2-CD2 4.4Å; L134-F192 HydrophobicContact CD2-CE2 3.73Å; L134-F192 HydrophobicContact CD2-CZ 4.35Å; L134-F192 HydrophobicContact CG-CE2 3.79Å; L134-F192 HydrophobicContact CG-CZ 4.38Å; A135-F192 HydrophobicContact CB-CD2 3.91Å; A135-F192 HydrophobicContact CB-CE2 3.72Å; A135-F192 HydrophobicContact CB-CZ 4.49Å; L138-F192 HydrophobicContact CD2-CE1 4.36Å; L138-F192 HydrophobicContact CD2-CZ 3.83Å; M153-F192 HydrophobicContact CE-CD1 4.29Å; M153-F192 HydrophobicContact CE-CE1 3.56Å; M153-F192 HydrophobicContact CE-CE2 4.02Å; M153-F192 HydrophobicContact CE-CZ 3.39Å; M153-F192 HydrophobicContact CG-CD1 4.06Å; M153-F192 HydrophobicContact CG-CE1 3.58Å; M153-F192 HydrophobicContact CG-CZ 4.37Å; M153-F192 HydrophobicContact SD-CE1 3.56Å; M153-F192 VanDerWaalsContact SD-CE1 3.56Å; M153-F192 HydrophobicContact SD-CZ 3.78Å; W188-F192 VanDerWaalsContact O-CB 3.25Å; W188-F192 WeakPolarHBondContact O-CB 3.33Å; W188-F192 PolarHBondContact O-N 3.42Å; W189-F192 HydrophobicContact CE3-CD1 4.3Å; W189-F192 HydrophobicContact CZ3-CD1 4.09Å; W189-F192 PolarHBondContact O-N 2.91Å; H190-F192 VanDerWaalsContact C-N 3.34Å; H190-F192 PolarHBondContact O-N 3.31Å; F192-T194 VanDerWaalsContact C-N 3.28Å; F192-T194 PolarHBondContact O-N 2.73Å; F192-L195 PolarHBondContact O-N 3.19Å; F192-C196 PolarHBondContact O-N 3.19Å; F192-C196 VanDerWaalsContact O-N 3.11Å; F192-C196 PolarHBondContact O-SG 3.46Å; F192-I202 HydrophobicContact CE1-CD1 4.38Å; F192-I202 HydrophobicContact CE1-CG2 3.92Å
193	R	97.1	Very high	95.8	Very high	5 Å²	5	31.9 Å²	31.9	2%	0.019	16%	0.16	C	C	.	.	H	α-helix	trans	-65.2	-33.4	179.4	74	176	179.1	-114.1	2	112.1	W189 H190 C196 D197 Y198 E224	W189-R193 HydrophobicContact CD2-CB 4.44Å; W189-R193 HydrophobicContact CE3-CB 4.47Å; W189-R193 HydrophobicContact CH2-CB 3.99Å; W189-R193 HydrophobicContact CZ2-CB 3.93Å; W189-R193 HydrophobicContact CZ3-CB 4.26Å; W189-R193 WeakPolarHBondContact O-CG 3.32Å; W189-R193 PolarHBondContact O-N 3.44Å; H190-R193 PolarHBondContact ND1-NH2 3.17Å; H190-R193 VanDerWaalsContact ND1-NH2 3.11Å; H190-R193 WeakPolarHBondContact O-CG 3.46Å; R193-C196 CarbonylContact O-C 3.55Å; R193-C196 PolarHBondContact O-N 3.39Å; R193-D197 PolarHBondContact O-N 3.26Å; R193-Y198 HydrophobicContact CG-CE1 4.17Å; R193-Y198 PolarHBondContact O-N 3.31Å; R193-E224 IonicContact CZ-OE1 3.86Å; R193-E224 IonicContact CZ-OE2 2.75Å; R193-E224 IonicContact NH1-OE1 3.36Å; R193-E224 PolarHBondContact NH1-OE1 3.34Å; R193-E224 IonicContact NH1-OE2 2.98Å; R193-E224 PolarHBondContact NH1-OE2 2.88Å; R193-E224 VanDerWaalsContact NH1-OE2 3.14Å; R193-E224 IonicContact NH2-OE1 3.9Å
194	T	96.9	Very high	96.4	Very high	68 Å²	68	31.7 Å²	31.7	42%	0.417	16%	0.159	S	C	.	.	H	α-helix	trans	-66.8	-45.7	176.5	-58.5	0	0	0	0	110.7	H190 N191 F192 C196 D197	H190-T194 PolarHBondContact CE1-OG1 3.5Å; H190-T194 PolarHBondContact ND1-OG1 3.11Å; H190-T194 WeakPolarHBondContact O-CB 3.44Å; H190-T194 PolarHBondContact O-N 3.44Å; H190-T194 VanDerWaalsContact O-N 3.09Å; H190-T194 PolarHBondContact O-OG1 3.37Å; N191-T194 PolarHBondContact O-N 3.41Å; F192-T194 VanDerWaalsContact C-N 3.28Å; F192-T194 PolarHBondContact O-N 2.73Å; T194-C196 PolarHBondContact O-N 3.14Å; T194-D197 PolarHBondContact O-N 2.99Å
195	L	97.8	Very high	96.8	Very high	91 Å²	91	30.2 Å²	30.2	48%	0.476	15%	0.152	S	C	.	.	H	α-helix	trans	-60.2	-29.8	173.9	-72.5	163.7	0	0	0	112.9	T132 A135 N191 F192 D197	T132-L195 HydrophobicContact CG2-CD1 3.93Å; T132-L195 HydrophobicContact CG2-CD2 4.47Å; A135-L195 HydrophobicContact CB-CB 3.75Å; A135-L195 HydrophobicContact CB-CD1 4.12Å; N191-L195 VanDerWaalsContact O-CG 3.32Å; N191-L195 WeakPolarHBondContact O-CG 3.47Å; N191-L195 PolarHBondContact O-N 2.77Å; F192-L195 PolarHBondContact O-N 3.19Å; L195-D197 VanDerWaalsContact C-N 3.31Å
196	C	97.7	Very high	96.9	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.027	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	13.4	177.6	-57.1	0	0	0	0	113.8	F192 R193 T194 Y198 S199 I202	F192-C196 PolarHBondContact O-N 3.19Å; F192-C196 VanDerWaalsContact O-N 3.11Å; F192-C196 PolarHBondContact O-SG 3.46Å; R193-C196 CarbonylContact O-C 3.55Å; R193-C196 PolarHBondContact O-N 3.39Å; T194-C196 PolarHBondContact O-N 3.14Å; C196-Y198 PolarHBondContact O-N 3.44Å; C196-S199 WeakPolarHBondContact O-CB 3.41Å; C196-S199 PolarHBondContact O-N 3.12Å; C196-S199 VanDerWaalsContact O-N 3.08Å; C196-I202 HydrophobicContact CB-CD1 3.5Å
197	D	96.1	Very high	97	Very high	98 Å²	98	32.4 Å²	32.4	52%	0.524	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	42.6	-179.1	-172.2	42.5	0	0	0	113.5	R193 T194 L195 S199 R485	R193-D197 PolarHBondContact O-N 3.26Å; T194-D197 PolarHBondContact O-N 2.99Å; L195-D197 VanDerWaalsContact C-N 3.31Å; D197-S199 PolarHBondContact O-N 2.82Å; D197-R485 PolarHBondContact O-NH1 2.89Å; D197-R485 IonicContact OD1-NH2 2.71Å; D197-R485 IonicContact OD2-CZ 3.88Å; D197-R485 IonicContact OD2-NH1 3.73Å; D197-R485 IonicContact OD2-NH2 3.22Å; D197-R485 PolarHBondContact OD2-NH2 2.91Å
198	Y	96	Very high	97.1	Very high	22 Å²	22	31.6 Å²	31.6	9%	0.086	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	30.6	179.6	-70.3	-100.5	0	0	0	113.8	R193 C196 K200 Y481 N482 H549 P589	R193-Y198 HydrophobicContact CG-CE1 4.17Å; R193-Y198 PolarHBondContact O-N 3.31Å; C196-Y198 PolarHBondContact O-N 3.44Å; Y198-K200 PolarHBondContact O-N 3.16Å; Y198-K200 VanDerWaalsContact O-N 3.14Å; Y198-Y481 HydrophobicContact CD1-CD1 4.28Å; Y198-Y481 HydrophobicContact CD2-CE1 4.41Å; Y198-Y481 HydrophobicContact CG-CD1 4.24Å; Y198-Y481 HydrophobicContact CG-CE1 4.14Å; Y198-N482 PolarHBondContact O-ND2 2.81Å; Y198-N482 PolarHBondContact O-OD1 2.99Å; Y198-N482 VanDerWaalsContact O-OD1 3.09Å; Y198-H549 AromaticContact CE1-NE2 3.55Å; Y198-P589 HydrophobicContact CE2-CG 4.26Å
199	S	96.1	Very high	97.1	Very high	30 Å²	30	31.9 Å²	31.9	21%	0.21	17%	0.166	C	C	.	.			trans	-49.2	120.8	-178.6	175.9	0	0	0	0	112.6	C196 D197 R201 I202	C196-S199 WeakPolarHBondContact O-CB 3.41Å; C196-S199 PolarHBondContact O-N 3.12Å; C196-S199 VanDerWaalsContact O-N 3.08Å; D197-S199 PolarHBondContact O-N 2.82Å; S199-R201 PolarHBondContact O-N 2.75Å; S199-R201 PolarHBondContact OG-N 2.91Å; S199-I202 PolarHBondContact O-N 2.9Å
200	K	94.8	Very high	96.8	Very high	165 Å²	165	34.7 Å²	34.7	72%	0.717	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-13.4	178.2	71.1	178.5	-177.9	179.7	0	114.7	M150 Y198 I202	M150-K200 WeakPolarHBondContact CE-O 3.42Å; Y198-K200 PolarHBondContact O-N 3.16Å; Y198-K200 VanDerWaalsContact O-N 3.14Å; K200-I202 VanDerWaalsContact C-N 3.29Å
201	R	96.2	Very high	96.6	Very high	36 Å²	36	39.4 Å²	39.4	14%	0.136	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-8.5	175.5	-69.2	-177.2	65.7	-174.9	3.8	112.7	I142 H147 S149 M150 F151 S199	I142-R201 HydrophobicContact CD1-CB 4.49Å; I142-R201 PolarHBondContact O-NH1 3.12Å; H147-R201 PolarHBondContact CE1-NH2 3.4Å; H147-R201 PolarHBondContact ND1-NH2 3.15Å; H147-R201 VanDerWaalsContact ND1-NH2 3.1Å; H147-R201 PolarHBondContact O-NH1 3.02Å; H147-R201 VanDerWaalsContact O-NH1 3.09Å; H147-R201 PolarHBondContact O-NH2 3.45Å; S149-R201 VanDerWaalsContact O-CZ 3.31Å; S149-R201 PolarHBondContact O-NE 3.39Å; S149-R201 PolarHBondContact O-NH2 3.45Å; M150-R201 HydrophobicContact SD-CB 4.5Å; F151-R201 HydrophobicContact CD2-CB 4.41Å; F151-R201 PolarHBondContact N-O 3.05Å; S199-R201 PolarHBondContact O-N 2.75Å; S199-R201 PolarHBondContact OG-N 2.91Å
202	I	98.1	Very high	96.4	Very high	11 Å²	11	37.9 Å²	37.9	6%	0.056	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.6	-179.3	-58	177.7	0	0	0	108.4	L138 I142 F151 M153 W189 F192 C196 S199 K200	L138-I202 HydrophobicContact CD2-CD1 3.82Å; L138-I202 HydrophobicContact CD2-CG1 4.22Å; L138-I202 HydrophobicContact CG-CD1 4.43Å; I142-I202 HydrophobicContact CD1-CD1 3.91Å; I142-I202 HydrophobicContact CD1-CG1 3.85Å; F151-I202 HydrophobicContact CB-CG1 4.29Å; F151-I202 CarbonylContact O-C 3.57Å; F151-I202 WeakPolarHBondContact O-CA 3.18Å; M153-I202 HydrophobicContact CG-CG2 3.6Å; M153-I202 HydrophobicContact SD-CG2 4.19Å; W189-I202 HydrophobicContact CH2-CG2 3.98Å; W189-I202 HydrophobicContact CZ3-CG2 3.92Å; F192-I202 HydrophobicContact CE1-CD1 4.38Å; F192-I202 HydrophobicContact CE1-CG2 3.92Å; C196-I202 HydrophobicContact CB-CD1 3.5Å; S199-I202 PolarHBondContact O-N 2.9Å; K200-I202 VanDerWaalsContact C-N 3.29Å
203	A	98.1	Very high	96.1	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.017	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	168.4	-177.4	0	0	0	0	0	111	F151 W152 M153 P225 K227	F151-A203 PolarHBondContact O-N 3.11Å; W152-A203 WeakPolarHBondContact CA-O 3.48Å; M153-A203 PolarHBondContact N-O 3.21Å; A203-P225 WeakPolarHBondContact CB-O 3.43Å; A203-K227 HydrophobicContact CB-CB 4.09Å; A203-K227 HydrophobicContact CB-CG 3.47Å; A203-K227 VanDerWaalsContact CB-CG 3.47Å
204	V	98.6	Very high	95.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.6	-179.6	-178.4	0	0	0	0	110.6	V155 W189 L206 W221 E224 P225 I226 K227 A228	V155-V204 HydrophobicContact CG2-CG1 4.31Å; W189-V204 HydrophobicContact CD2-CG2 3.67Å; W189-V204 HydrophobicContact CE3-CG2 4.04Å; W189-V204 HydrophobicContact CG-CG2 4.27Å; W189-V204 HydrophobicContact CH2-CG2 3.86Å; W189-V204 HydrophobicContact CZ2-CG2 3.46Å; W189-V204 VanDerWaalsContact CZ2-CG2 3.46Å; W189-V204 HydrophobicContact CZ3-CG2 4.12Å; V204-L206 HydrophobicContact CG1-CB 4.16Å; V204-L206 HydrophobicContact CG1-CD1 4.43Å; V204-W221 HydrophobicContact CG1-CE3 4.4Å; V204-W221 HydrophobicContact CG1-CZ3 3.9Å; V204-W221 HydrophobicContact CG2-CZ3 4.27Å; V204-E224 HydrophobicContact CG2-CB 4.43Å; V204-P225 PolarHBondContact N-O 3.15Å; V204-I226 HydrophobicContact CB-CG1 4.24Å; V204-I226 HydrophobicContact CG1-CG1 4.38Å; V204-I226 WeakPolarHBondContact O-CA 3.48Å; V204-K227 PolarHBondContact O-N 2.95Å; V204-A228 PolarHBondContact O-N 3.13Å
205	A	98.6	Very high	95.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	100.2	159.1	0	0	0	0	0	108.4	L123 W152 M153 R154 V155 A228 I230	L123-A205 HydrophobicContact CD1-CB 3.61Å; W152-A205 HydrophobicContact CB-CB 4.03Å; M153-A205 PolarHBondContact O-N 3.39Å; R154-A205 VanDerWaalsContact CA-O 3.28Å; R154-A205 WeakPolarHBondContact CA-O 3.5Å; V155-A205 PolarHBondContact N-O 2.84Å; A205-A228 CarbonylContact C-O 3.6Å; A205-A228 VanDerWaalsContact CA-O 3.26Å; A205-A228 WeakPolarHBondContact CA-O 3.42Å; A205-A228 HydrophobicContact CB-CB 4.08Å; A205-I230 HydrophobicContact CB-CD1 4.24Å
206	L	98.2	Very high	95.4	Very high	2 Å²	2	42 Å²	42	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	120.3	-171.2	-168.9	66.2	0	0	0	110.3	V155 L157 V204 I208 W221 I226 A228 A229 I230	V155-L206 CarbonylContact O-C 3.49Å; V155-L206 WeakPolarHBondContact O-CA 3.33Å; L157-L206 HydrophobicContact CB-CD1 4.19Å; L157-L206 HydrophobicContact CB-CG 4.37Å; L157-L206 HydrophobicContact CD1-CD1 4.15Å; L157-L206 HydrophobicContact CD1-CD2 4.15Å; L157-L206 HydrophobicContact CD1-CG 4.48Å; V204-L206 HydrophobicContact CG1-CB 4.16Å; V204-L206 HydrophobicContact CG1-CD1 4.43Å; L206-I208 HydrophobicContact CB-CD1 4.36Å; L206-I208 HydrophobicContact CD2-CD1 3.77Å; L206-I208 HydrophobicContact CG-CD1 3.82Å; L206-W221 HydrophobicContact CD1-CD2 3.9Å; L206-W221 HydrophobicContact CD1-CE3 3.92Å; L206-W221 HydrophobicContact CD1-CG 4.47Å; L206-W221 HydrophobicContact CD1-CH2 4.33Å; L206-W221 HydrophobicContact CD1-CZ2 4.29Å; L206-W221 HydrophobicContact CD1-CZ3 4.15Å; L206-W221 HydrophobicContact CD2-CB 4.43Å; L206-I226 HydrophobicContact CB-CG2 4.5Å; L206-I226 HydrophobicContact CD2-CD1 4Å; L206-A228 PolarHBondContact N-O 3.02Å; L206-A229 CarbonylContact O-C 3.57Å; L206-A229 VanDerWaalsContact O-CA 3.29Å; L206-A229 WeakPolarHBondContact O-CA 3.37Å; L206-I230 PolarHBondContact O-N 3.25Å
207	E	97.8	Very high	95.1	Very high	45 Å²	45	42 Å²	42	21%	0.21	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.2	175.8	167	170.1	-157.2	0	0	110.6	R154 V155 L157 I230	R154-E207 IonicContact CZ-OE1 2.98Å; R154-E207 IonicContact CZ-OE2 3.05Å; R154-E207 VanDerWaalsContact CZ-OE2 3.24Å; R154-E207 IonicContact NE-OE2 3.93Å; R154-E207 PolarHBondContact NE-OE2 3.36Å; R154-E207 IonicContact NH2-OE1 3.71Å; R154-E207 PolarHBondContact NH2-OE1 2.95Å; R154-E207 IonicContact NH2-OE2 2.73Å; R154-E207 PolarHBondContact NH2-OE2 3.31Å; V155-E207 PolarHBondContact O-N 3.27Å; L157-E207 WeakPolarHBondContact CB-O 3.38Å; L157-E207 PolarHBondContact N-O 3.02Å; E207-I230 HydrophobicContact CB-CB 4.22Å
208	I	97.3	Very high	95.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	21%	0.205	C	C	.	.			trans	-93.4	107	-174.8	-49.2	-55.6	0	0	0	108.6	L157 L206 L212 A229 I230 L231 P232 I235 L253	L157-I208 HydrophobicContact CD2-CD1 4.16Å; L206-I208 HydrophobicContact CB-CD1 4.36Å; L206-I208 HydrophobicContact CD2-CD1 3.77Å; L206-I208 HydrophobicContact CG-CD1 3.82Å; I208-L212 HydrophobicContact CG2-CD2 3.73Å; I208-A229 HydrophobicContact CG1-CB 4.38Å; I208-I230 PolarHBondContact N-O 2.96Å; I208-L231 HydrophobicContact CB-CD2 3.75Å; I208-L231 HydrophobicContact CG1-CD2 3.65Å; I208-L231 HydrophobicContact CG2-CD2 4.37Å; I208-P232 WeakPolarHBondContact O-CD 3.3Å; I208-I235 HydrophobicContact CG2-CD1 4.36Å; I208-L253 HydrophobicContact CD1-CD2 3.96Å; I208-L253 HydrophobicContact CG2-CD2 4.16Å
209	G	94.4	Very high	95.1	Very high	19 Å²	19	39 Å²	39	20%	0.196	21%	0.213	C	C	.	.			trans	-77	-179.1	177	0	0	0	0	0	113.4	H250	G209-H250 PolarHBondContact O-NE2 3.31Å
210	A	92.5	Very high	95.1	Very high	63 Å²	63	37.7 Å²	37.7	52%	0.521	20%	0.203	S	C	.	.	S	Bend	trans	-71.3	-35.5	176.1	0	0	0	0	0	112.3	I235 H250	A210-I235 HydrophobicContact CB-CG2 4.47Å; A210-H250 PolarHBondContact O-CE1 2.77Å
211	D	91.2	Very high	95.2	Very high	105 Å²	105	29.9 Å²	29.9	56%	0.561	17%	0.17	S	C	*	.	S	Bend	trans	-96.9	128.9	175	-57.6	-61.1	0	0	0	109.6	L163	L163-D211 HydrophobicContact CD2-CB 3.98Å
212	L	93.5	Very high	95.3	Very high	27 Å²	27	28.8 Å²	28.8	14%	0.141	17%	0.166	C	C	.	.			trans	-103.8	140.3	178.5	-60	-179.1	0	0	0	109.3	L157 I208 M249 L253	L157-L212 HydrophobicContact CD2-CD2 3.88Å; I208-L212 HydrophobicContact CG2-CD2 3.73Å; L212-M249 HydrophobicContact CD1-CB 3.94Å; L212-L253 HydrophobicContact CD1-CD2 4.42Å; L212-L253 HydrophobicContact CD2-CD2 4.03Å
213	P	92.4	Very high	95.2	Very high	10 Å²	10	28.3 Å²	28.3	7%	0.065	16%	0.164	C	C	.	.			trans	-72.7	179.5	177.4	33.3	-35.6	0	0	0	111.2	L157 V158 E182 V217 I218	L157-P213 HydrophobicContact CD1-CG 3.89Å; L157-P213 HydrophobicContact CD2-CG 4.09Å; L157-P213 HydrophobicContact CG-CG 3.79Å; V158-P213 HydrophobicContact CG2-CB 4.42Å; V158-P213 HydrophobicContact CG2-CG 4.44Å; E182-P213 HydrophobicContact CG-CB 4.47Å; P213-V217 HydrophobicContact CB-CB 4.05Å; P213-V217 HydrophobicContact CB-CG1 3.86Å; P213-V217 HydrophobicContact CG-CB 4.2Å; P213-V217 HydrophobicContact CG-CG1 3.74Å; P213-I218 HydrophobicContact CG-CG1 4.09Å
214	S	92	Very high	95.2	Very high	44 Å²	44	28.2 Å²	28.2	31%	0.308	16%	0.163	S	C	.	.			trans	-54.7	156.4	174.5	65.3	0	0	0	0	113.6	E182 H216 V217 I218	E182-S214 WeakPolarHBondContact OE2-CB 3.47Å; E182-S214 PolarHBondContact OE2-N 2.8Å; E182-S214 PolarHBondContact OE2-OG 3.48Å; S214-H216 VanDerWaalsContact C-N 3.29Å; S214-H216 PolarHBondContact O-N 2.78Å; S214-V217 PolarHBondContact O-N 3.48Å; S214-V217 WeakPolarHBondContact OG-CG2 3.22Å; S214-I218 PolarHBondContact O-N 3.4Å; S214-I218 VanDerWaalsContact O-N 3.12Å
215	N	92.6	Very high	95.1	Very high	107 Å²	107	29.4 Å²	29.4	57%	0.572	17%	0.171	S	C	*	.	H	α-helix	trans	-61.6	-36	179.9	-74.5	-44.5	0	0	0	112.4	V217 I218 D219	N215-V217 VanDerWaalsContact C-N 3.29Å; N215-V217 PolarHBondContact O-N 2.86Å; N215-I218 WeakPolarHBondContact O-CB 3.48Å; N215-I218 PolarHBondContact O-N 2.87Å; N215-I218 VanDerWaalsContact O-N 3.16Å; N215-D219 WeakPolarHBondContact O-CB 3.36Å; N215-D219 PolarHBondContact O-N 2.79Å
216	H	90.7	Very high	95.1	Very high	92 Å²	92	29.8 Å²	29.8	43%	0.426	17%	0.173	S	C	.	.	H	α-helix	trans	-61	-39	178	-61.2	-95.8	0	0	0	111.5	S214 D219 R220 E543 V544	S214-H216 VanDerWaalsContact C-N 3.29Å; S214-H216 PolarHBondContact O-N 2.78Å; H216-D219 PolarHBondContact O-N 2.95Å; H216-R220 PolarHBondContact O-N 2.81Å; H216-E543 IonicContact CE1-OE2 3.18Å; H216-E543 PolarHBondContact CE1-OE2 2.93Å; H216-E543 IonicContact ND1-OE2 3.58Å; H216-E543 PolarHBondContact ND1-OE2 2.73Å; H216-V544 HydrophobicContact CB-CG1 3.99Å
217	V	92.5	Very high	95.1	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	19%	0.194	C	C	.	.	H	α-helix	trans	-68.8	-40.9	175.2	171.8	0	0	0	0	111.4	E182 P213 S214 N215 D219 R220 W221	E182-V217 HydrophobicContact CB-CG2 4.09Å; P213-V217 HydrophobicContact CB-CB 4.05Å; P213-V217 HydrophobicContact CB-CG1 3.86Å; P213-V217 HydrophobicContact CG-CB 4.2Å; P213-V217 HydrophobicContact CG-CG1 3.74Å; S214-V217 PolarHBondContact O-N 3.48Å; S214-V217 WeakPolarHBondContact OG-CG2 3.22Å; N215-V217 VanDerWaalsContact C-N 3.29Å; N215-V217 PolarHBondContact O-N 2.86Å; V217-D219 VanDerWaalsContact C-N 3.34Å; V217-R220 PolarHBondContact O-N 3.03Å; V217-W221 VanDerWaalsContact O-CD1 3.24Å; V217-W221 PolarHBondContact O-N 3.1Å
218	I	95.7	Very high	95.1	Very high	11 Å²	11	32.7 Å²	32.7	6%	0.056	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-43.1	174.3	-67.1	174.1	0	0	0	110.9	P213 S214 N215 R220 W221 L222 L253	P213-I218 HydrophobicContact CG-CG1 4.09Å; S214-I218 PolarHBondContact O-N 3.4Å; S214-I218 VanDerWaalsContact O-N 3.12Å; N215-I218 WeakPolarHBondContact O-CB 3.48Å; N215-I218 PolarHBondContact O-N 2.87Å; N215-I218 VanDerWaalsContact O-N 3.16Å; I218-R220 VanDerWaalsContact C-N 3.32Å; I218-R220 PolarHBondContact O-N 2.83Å; I218-W221 PolarHBondContact O-N 3.09Å; I218-L222 HydrophobicContact CG2-CD1 3.82Å; I218-L222 HydrophobicContact CG2-CG 4.44Å; I218-L222 WeakPolarHBondContact O-CG 3.5Å; I218-L222 PolarHBondContact O-N 3.18Å; I218-L253 HydrophobicContact CG2-CD1 3.67Å
219	D	95.8	Very high	95.2	Very high	47 Å²	47	32.6 Å²	32.6	25%	0.251	18%	0.184	S	C	.	.	H	α-helix	trans	-60.1	-43.3	178.4	-66.4	-13.8	0	0	0	110.9	N215 H216 V217 L222 G223 R256 H510	N215-D219 WeakPolarHBondContact O-CB 3.36Å; N215-D219 PolarHBondContact O-N 2.79Å; H216-D219 PolarHBondContact O-N 2.95Å; V217-D219 VanDerWaalsContact C-N 3.34Å; D219-L222 PolarHBondContact O-N 3.01Å; D219-G223 PolarHBondContact O-N 3.42Å; D219-R256 IonicContact OD1-CZ 2.65Å; D219-R256 IonicContact OD1-NH1 2.8Å; D219-R256 PolarHBondContact OD1-NH1 3.36Å; D219-R256 IonicContact OD1-NH2 2.94Å; D219-R256 PolarHBondContact OD1-NH2 2.73Å; D219-H510 VanDerWaalsContact C-CD2 3.46Å; D219-H510 PolarHBondContact O-CD2 2.91Å
220	R	96	Very high	95.4	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	18%	0.175	C	C	.	.	H	α-helix	trans	-59.2	-48.1	172.5	-179.8	-178.4	64.6	-171.8	-12.5	112.4	E183 W186 H216 V217 I218 L222 G223 V544 N545	E183-R220 IonicContact OE1-CZ 2.77Å; E183-R220 IonicContact OE1-NH1 3.18Å; E183-R220 PolarHBondContact OE1-NH1 3.24Å; E183-R220 IonicContact OE1-NH2 2.9Å; E183-R220 PolarHBondContact OE1-NH2 3.45Å; E183-R220 IonicContact OE2-CZ 2.73Å; E183-R220 IonicContact OE2-NH1 3.54Å; E183-R220 PolarHBondContact OE2-NH1 3.42Å; E183-R220 IonicContact OE2-NH2 3.78Å; W186-R220 VanDerWaalsContact CG-NE 3.3Å; H216-R220 PolarHBondContact O-N 2.81Å; V217-R220 PolarHBondContact O-N 3.03Å; I218-R220 VanDerWaalsContact C-N 3.32Å; I218-R220 PolarHBondContact O-N 2.83Å; R220-L222 PolarHBondContact O-N 2.79Å; R220-G223 PolarHBondContact O-N 3.05Å; R220-G223 VanDerWaalsContact O-N 3.12Å; R220-V544 HydrophobicContact CB-CG2 4.46Å; R220-N545 WeakPolarHBondContact CD-O 3.41Å; R220-N545 PolarHBondContact NH1-O 3.48Å
221	W	97.4	Very high	95.7	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-61.2	-34.3	179.2	-86.1	112.6	0	0	0	112.6	V155 L157 W186 W189 V204 L206 V217 I218 G223 E224 I226	V155-W221 HydrophobicContact CB-CH2 4.21Å; V155-W221 HydrophobicContact CG1-CH2 3.76Å; V155-W221 HydrophobicContact CG1-CZ2 4.2Å; L157-W221 HydrophobicContact CD1-CG 4Å; W186-W221 HydrophobicContact CB-CH2 4.44Å; W186-W221 HydrophobicContact CB-CZ2 3.81Å; W186-W221 HydrophobicContact CG-CZ2 4.44Å; W189-W221 HydrophobicContact CB-CH2 3.86Å; W189-W221 HydrophobicContact CB-CZ3 4.31Å; W189-W221 AromaticContact CD1-CZ3 3.82Å; W189-W221 HydrophobicContact CG-CH2 4.17Å; W189-W221 HydrophobicContact CG-CZ3 4.13Å; V204-W221 HydrophobicContact CG1-CE3 4.4Å; V204-W221 HydrophobicContact CG1-CZ3 3.9Å; V204-W221 HydrophobicContact CG2-CZ3 4.27Å; L206-W221 HydrophobicContact CD1-CD2 3.9Å; L206-W221 HydrophobicContact CD1-CE3 3.92Å; L206-W221 HydrophobicContact CD1-CG 4.47Å; L206-W221 HydrophobicContact CD1-CH2 4.33Å; L206-W221 HydrophobicContact CD1-CZ2 4.29Å; L206-W221 HydrophobicContact CD1-CZ3 4.15Å; L206-W221 HydrophobicContact CD2-CB 4.43Å; V217-W221 VanDerWaalsContact O-CD1 3.24Å; V217-W221 PolarHBondContact O-N 3.1Å; I218-W221 PolarHBondContact O-N 3.09Å; W221-G223 PolarHBondContact O-N 3.18Å; W221-E224 HydrophobicContact CE3-CB 4.3Å; W221-E224 HydrophobicContact CE3-CG 4.07Å; W221-E224 HydrophobicContact CZ3-CG 4.45Å; W221-E224 VanDerWaalsContact O-CB 3.28Å; W221-E224 WeakPolarHBondContact O-CB 3.5Å; W221-E224 PolarHBondContact O-N 2.89Å; W221-I226 WeakPolarHBondContact O-CD1 3.39Å
222	L	97.3	Very high	96	Very high	13 Å²	13	24.5 Å²	24.5	7%	0.068	13%	0.129	C	C	.	.	H	α-helix	trans	-72	-15.6	178.6	-69	164.4	0	0	0	113.7	I218 D219 R220 E224 R256 L257 L260	I218-L222 HydrophobicContact CG2-CD1 3.82Å; I218-L222 HydrophobicContact CG2-CG 4.44Å; I218-L222 WeakPolarHBondContact O-CG 3.5Å; I218-L222 PolarHBondContact O-N 3.18Å; D219-L222 PolarHBondContact O-N 3.01Å; R220-L222 PolarHBondContact O-N 2.79Å; L222-E224 VanDerWaalsContact C-N 3.32Å; L222-R256 HydrophobicContact CD1-CB 3.91Å; L222-R256 HydrophobicContact CD1-CG 4.5Å; L222-R256 HydrophobicContact CD2-CB 4.25Å; L222-L257 HydrophobicContact CD2-CD2 3.81Å; L222-L257 HydrophobicContact CD2-CG 4.34Å; L222-L260 HydrophobicContact CB-CD1 4.26Å; L222-L260 HydrophobicContact CD2-CD1 3.57Å
223	G	97.2	Very high	96.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.1	167.2	0	0	0	0	0	114.6	D219 R220 W221 N508 F509	D219-G223 PolarHBondContact O-N 3.42Å; R220-G223 PolarHBondContact O-N 3.05Å; R220-G223 VanDerWaalsContact O-N 3.12Å; W221-G223 PolarHBondContact O-N 3.18Å; G223-N508 PolarHBondContact O-OD1 3.19Å; G223-F509 VanDerWaalsContact CA-C 3.44Å
224	E	97.9	Very high	96.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	15%	0.145	C	C	.	.	S	Bend	trans	-89	158	175.7	-60.4	-67.2	173	0	0	111	W186 W189 R193 V204 W221 L222 I226 N508	W186-E224 PolarHBondContact NE1-OE1 3Å; W189-E224 VanDerWaalsContact NE1-CD 3.32Å; W189-E224 PolarHBondContact NE1-OE2 3.1Å; R193-E224 IonicContact CZ-OE1 3.86Å; R193-E224 IonicContact CZ-OE2 2.75Å; R193-E224 IonicContact NH1-OE1 3.36Å; R193-E224 PolarHBondContact NH1-OE1 3.34Å; R193-E224 IonicContact NH1-OE2 2.98Å; R193-E224 PolarHBondContact NH1-OE2 2.88Å; R193-E224 VanDerWaalsContact NH1-OE2 3.14Å; R193-E224 IonicContact NH2-OE1 3.9Å; V204-E224 HydrophobicContact CG2-CB 4.43Å; W221-E224 HydrophobicContact CE3-CB 4.3Å; W221-E224 HydrophobicContact CE3-CG 4.07Å; W221-E224 HydrophobicContact CZ3-CG 4.45Å; W221-E224 VanDerWaalsContact O-CB 3.28Å; W221-E224 WeakPolarHBondContact O-CB 3.5Å; W221-E224 PolarHBondContact O-N 2.89Å; L222-E224 VanDerWaalsContact C-N 3.32Å; E224-I226 PolarHBondContact O-N 2.85Å; E224-N508 PolarHBondContact O-ND2 2.91Å; E224-N508 PolarHBondContact O-OD1 3.06Å
225	P	97.2	Very high	96.6	Very high	25 Å²	25	24.8 Å²	24.8	16%	0.162	13%	0.132	C	C	.	.			trans	-77.3	70	-177.6	32.4	-35.1	0	0	0	111.1	W189 A203 V204 K227	W189-P225 HydrophobicContact CZ2-CG 4.02Å; A203-P225 WeakPolarHBondContact CB-O 3.43Å; V204-P225 PolarHBondContact N-O 3.15Å; P225-K227 PolarHBondContact O-N 3.18Å
226	I	98.2	Very high	96.8	Very high	7 Å²	7	20.1 Å²	20.1	4%	0.036	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	124.9	176.6	-57	174	0	0	0	109.1	V204 L206 W221 E224 A228 L257 V262	V204-I226 HydrophobicContact CB-CG1 4.24Å; V204-I226 HydrophobicContact CG1-CG1 4.38Å; V204-I226 WeakPolarHBondContact O-CA 3.48Å; L206-I226 HydrophobicContact CB-CG2 4.5Å; L206-I226 HydrophobicContact CD2-CD1 4Å; W221-I226 WeakPolarHBondContact O-CD1 3.39Å; E224-I226 PolarHBondContact O-N 2.85Å; I226-A228 WeakPolarHBondContact CG2-O 3.29Å; I226-L257 HydrophobicContact CD1-CD2 4.01Å; I226-L257 HydrophobicContact CG2-CD2 4.28Å; I226-V262 HydrophobicContact CB-CG2 4.13Å; I226-V262 HydrophobicContact CG2-CG1 3.87Å; I226-V262 HydrophobicContact CG2-CG2 3.73Å
227	K	97.6	Very high	97.1	Very high	108 Å²	108	20.5 Å²	20.5	47%	0.47	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-27.1	173.4	-71.9	-64.4	-178.3	-171	0	113	A203 V204 P225 Q263	A203-K227 HydrophobicContact CB-CB 4.09Å; A203-K227 HydrophobicContact CB-CG 3.47Å; A203-K227 VanDerWaalsContact CB-CG 3.47Å; V204-K227 PolarHBondContact O-N 2.95Å; P225-K227 PolarHBondContact O-N 3.18Å; K227-Q263 PolarHBondContact O-N 3.39Å
228	A	98.4	Very high	97.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151	177.1	0	0	0	0	0	112.3	W152 V204 A205 L206 I226 V262 Q263 I265	W152-A228 HydrophobicContact CE3-CB 4.1Å; W152-A228 HydrophobicContact CZ3-CB 4.18Å; V204-A228 PolarHBondContact O-N 3.13Å; A205-A228 CarbonylContact C-O 3.6Å; A205-A228 VanDerWaalsContact CA-O 3.26Å; A205-A228 WeakPolarHBondContact CA-O 3.42Å; A205-A228 HydrophobicContact CB-CB 4.08Å; L206-A228 PolarHBondContact N-O 3.02Å; I226-A228 WeakPolarHBondContact CG2-O 3.29Å; A228-V262 VanDerWaalsContact C-CG1 3.46Å; A228-Q263 CarbonylContact C-O 3.55Å; A228-Q263 WeakPolarHBondContact CA-O 3.25Å; A228-I265 HydrophobicContact CB-CD1 3.69Å; A228-I265 HydrophobicContact CB-CG1 4.29Å
229	A	98.5	Very high	97.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.6	168	0	0	0	0	0	109.1	L206 I208 L257 V262 Q263 F264 I265	L206-A229 CarbonylContact O-C 3.57Å; L206-A229 VanDerWaalsContact O-CA 3.29Å; L206-A229 WeakPolarHBondContact O-CA 3.37Å; I208-A229 HydrophobicContact CG1-CB 4.38Å; A229-L257 HydrophobicContact CB-CD1 3.84Å; A229-V262 HydrophobicContact CB-CG1 3.88Å; A229-Q263 PolarHBondContact N-O 2.97Å; A229-F264 HydrophobicContact CB-CD1 3.92Å; A229-F264 HydrophobicContact CB-CE1 3.97Å; A229-F264 CarbonylContact O-C 3.44Å; A229-F264 WeakPolarHBondContact O-CA 3.12Å; A229-I265 PolarHBondContact O-N 3.42Å
230	I	98.6	Very high	97.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119.3	179.9	-57.5	167.7	0	0	0	108	L123 R154 A205 L206 E207 I208 I265 T267	L123-I230 HydrophobicContact CD1-CD1 4.48Å; L123-I230 HydrophobicContact CD2-CD1 4.4Å; R154-I230 HydrophobicContact CB-CD1 4.26Å; R154-I230 HydrophobicContact CG-CD1 3.71Å; A205-I230 HydrophobicContact CB-CD1 4.24Å; L206-I230 PolarHBondContact O-N 3.25Å; E207-I230 HydrophobicContact CB-CB 4.22Å; I208-I230 PolarHBondContact N-O 2.96Å; I230-I265 CarbonylContact C-O 3.59Å; I230-I265 WeakPolarHBondContact CA-O 3.42Å; I230-I265 HydrophobicContact CG1-CB 4.09Å; I230-I265 HydrophobicContact CG1-CD1 4.18Å; I230-I265 HydrophobicContact CG1-CG2 4.44Å; I230-T267 HydrophobicContact CG2-CG2 3.62Å
231	L	98.3	Very high	97	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	107.7	-179	-51.5	-177.4	0	0	0	109.3	I208 I235 F236 I254 F264 I265 I266 T267 L284	I208-L231 HydrophobicContact CB-CD2 3.75Å; I208-L231 HydrophobicContact CG1-CD2 3.65Å; I208-L231 HydrophobicContact CG2-CD2 4.37Å; L231-I235 HydrophobicContact CB-CD1 4.16Å; L231-I235 HydrophobicContact CD2-CD1 4.11Å; L231-F236 HydrophobicContact CB-CE2 4.11Å; L231-F236 HydrophobicContact CB-CZ 4.44Å; L231-F236 HydrophobicContact CD1-CZ 4.23Å; L231-I254 HydrophobicContact CD1-CD1 3.95Å; L231-I254 HydrophobicContact CD2-CD1 3.93Å; L231-F264 HydrophobicContact CD1-CD1 3.8Å; L231-F264 HydrophobicContact CG-CD1 4.24Å; L231-I265 PolarHBondContact N-O 3.07Å; L231-I266 HydrophobicContact CB-CD1 3.94Å; L231-I266 HydrophobicContact CD1-CD1 4.18Å; L231-I266 WeakPolarHBondContact O-CA 3.39Å; L231-T267 PolarHBondContact O-N 3.07Å; L231-L284 HydrophobicContact CD1-CD1 4.21Å; L231-L284 HydrophobicContact CD1-CD2 3.9Å
232	P	97.6	Very high	96.9	Very high	17 Å²	17	43.9 Å²	43.9	11%	0.11	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	138.1	170.1	-20.5	33.6	0	0	0	110.8	I208 S234 I235 T267	I208-P232 WeakPolarHBondContact O-CD 3.3Å; P232-S234 WeakPolarHBondContact CB-OG 3.17Å; P232-S234 PolarHBondContact O-N 3.14Å; P232-I235 HydrophobicContact CB-CG2 4.28Å; P232-I235 HydrophobicContact CG-CG2 4.35Å; P232-I235 WeakPolarHBondContact O-CG1 3.37Å; P232-I235 PolarHBondContact O-N 2.84Å; P232-I235 VanDerWaalsContact O-N 3.1Å; P232-T267 CarbonylContact C-O 3.59Å; P232-T267 WeakPolarHBondContact CA-O 3.22Å; P232-T267 HydrophobicContact CB-CG2 4.1Å; P232-T267 HydrophobicContact CG-CG2 4.09Å
233	T	97.5	Very high	96.8	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-59.5	-19.7	175.1	46.1	0	0	0	0	113.1	I235 F236 I266 T267 T269 H271 F277 Y280	T233-I235 VanDerWaalsContact C-N 3.32Å; T233-I235 PolarHBondContact O-N 2.99Å; T233-F236 PolarHBondContact O-N 3.17Å; T233-I266 HydrophobicContact CG2-CG2 3.63Å; T233-T267 WeakPolarHBondContact CG2-O 3.35Å; T233-T267 PolarHBondContact N-O 3.48Å; T233-T267 PolarHBondContact OG1-O 3.04Å; T233-T269 VanDerWaalsContact CB-O 3.25Å; T233-T269 WeakPolarHBondContact CB-O 3.43Å; T233-T269 WeakPolarHBondContact CG2-O 3.47Å; T233-T269 PolarHBondContact OG1-N 2.78Å; T233-T269 PolarHBondContact OG1-O 2.84Å; T233-H271 PolarHBondContact OG1-CD2 3.08Å; T233-H271 VanDerWaalsContact OG1-CD2 3.24Å; T233-F277 HydrophobicContact CG2-CE2 4.02Å; T233-F277 HydrophobicContact CG2-CZ 3.83Å; T233-Y280 HydrophobicContact CG2-CD1 4.2Å; T233-Y280 HydrophobicContact CG2-CD2 4.24Å; T233-Y280 HydrophobicContact CG2-CE1 3.83Å; T233-Y280 HydrophobicContact CG2-CE2 3.94Å; T233-Y280 HydrophobicContact CG2-CG 4.41Å
234	S	96	Very high	96.8	Very high	77 Å²	77	46.9 Å²	46.9	54%	0.538	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-69.7	-18.5	176	56.4	0	0	0	0	114.9	P232 F236	P232-S234 WeakPolarHBondContact CB-OG 3.17Å; P232-S234 PolarHBondContact O-N 3.14Å; S234-F236 VanDerWaalsContact C-N 3.32Å
235	I	96.8	Very high	96.8	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.041	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-83.9	-11	177.9	80.1	-178	0	0	0	112.5	I208 A210 L231 P232 T233 L246	I208-I235 HydrophobicContact CG2-CD1 4.36Å; A210-I235 HydrophobicContact CB-CG2 4.47Å; L231-I235 HydrophobicContact CB-CD1 4.16Å; L231-I235 HydrophobicContact CD2-CD1 4.11Å; P232-I235 HydrophobicContact CB-CG2 4.28Å; P232-I235 HydrophobicContact CG-CG2 4.35Å; P232-I235 WeakPolarHBondContact O-CG1 3.37Å; P232-I235 PolarHBondContact O-N 2.84Å; P232-I235 VanDerWaalsContact O-N 3.1Å; T233-I235 VanDerWaalsContact C-N 3.32Å; T233-I235 PolarHBondContact O-N 2.99Å; I235-L246 HydrophobicContact CD1-CD2 3.81Å; I235-L246 HydrophobicContact CG1-CD2 3.58Å
236	F	97.9	Very high	96.8	Very high	9 Å²	9	47.2 Å²	47.2	4%	0.039	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-83.8	124.3	178.7	-67.9	-104.1	0	0	0	109.8	L231 T233 S234 P244 V245 L246 I266 H272 Y280 Y283	L231-F236 HydrophobicContact CB-CE2 4.11Å; L231-F236 HydrophobicContact CB-CZ 4.44Å; L231-F236 HydrophobicContact CD1-CZ 4.23Å; T233-F236 PolarHBondContact O-N 3.17Å; S234-F236 VanDerWaalsContact C-N 3.32Å; F236-P244 HydrophobicContact CB-CB 3.82Å; F236-P244 HydrophobicContact CD1-CB 3.87Å; F236-P244 HydrophobicContact CG-CB 4.16Å; F236-V245 CarbonylContact C-O 3.54Å; F236-L246 HydrophobicContact CD1-CD2 3.94Å; F236-L246 HydrophobicContact CD1-CG 4.02Å; F236-L246 HydrophobicContact CD2-CD2 4.19Å; F236-L246 HydrophobicContact CE1-CD1 4.32Å; F236-L246 HydrophobicContact CE1-CD2 3.97Å; F236-L246 HydrophobicContact CE1-CG 3.89Å; F236-L246 HydrophobicContact CE2-CD2 4.2Å; F236-L246 HydrophobicContact CG-CD2 4.07Å; F236-L246 HydrophobicContact CZ-CD2 4.1Å; F236-L246 HydrophobicContact CZ-CG 4.36Å; F236-I266 HydrophobicContact CE2-CD1 4.39Å; F236-I266 HydrophobicContact CZ-CD1 4.12Å; F236-H272 PolarHBondContact O-CE1 3.38Å; F236-Y280 HydrophobicContact CB-CD1 4.23Å; F236-Y280 HydrophobicContact CB-CE1 4Å; F236-Y280 AromaticContact CD1-CD1 3.82Å; F236-Y280 HydrophobicContact CD1-CD1 3.82Å; F236-Y280 HydrophobicContact CD1-CE1 4.45Å; F236-Y280 AromaticContact CD2-CD1 3.81Å; F236-Y280 HydrophobicContact CD2-CD1 3.81Å; F236-Y280 HydrophobicContact CD2-CE1 4.1Å; F236-Y280 HydrophobicContact CE1-CD1 4.02Å; F236-Y280 HydrophobicContact CE2-CD1 4.04Å; F236-Y280 AromaticContact CG-CD1 3.69Å; F236-Y280 HydrophobicContact CG-CD1 3.69Å; F236-Y280 AromaticContact CG-CE1 3.95Å; F236-Y280 HydrophobicContact CG-CE1 3.95Å; F236-Y280 HydrophobicContact CZ-CD1 4.14Å; F236-Y283 HydrophobicContact CD1-CD1 4.27Å; F236-Y283 AromaticContact CE1-CD1 3.92Å; F236-Y283 HydrophobicContact CE1-CD1 3.92Å
237	L	96.9	Very high	96.8	Very high	99 Å²	99	48.6 Å²	48.6	52%	0.518	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	152.8	175.5	-53.9	175.8	0	0	0	110.5	P244 V245	L237-P244 CarbonylContact O-C 3.58Å; L237-P244 WeakPolarHBondContact O-CA 3.44Å; L237-V245 HydrophobicContact CB-CG2 4.31Å; L237-V245 PolarHBondContact N-O 3.31Å; L237-V245 WeakPolarHBondContact O-CG2 3.33Å; L237-V245 PolarHBondContact O-N 3.31Å
238	T	95.9	Very high	96.7	Very high	96 Å²	96	51.3 Å²	51.3	59%	0.589	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	120.7	175.3	-50	0	0	0	0	110.8	H272	T238-H272 PolarHBondContact OG1-NE2 3.31Å
239	N	94.6	Very high	96.6	Very high	56 Å²	56	56.8 Å²	56.8	30%	0.299	29%	0.288	S	S	.	.			trans	-78.5	175.1	173.2	79.1	11.7	0	0	0	112.6	K241 G242 F243 V245	N239-K241 PolarHBondContact O-N 3.38Å; N239-K241 WeakPolarHBondContact OD1-CA 3.42Å; N239-K241 PolarHBondContact OD1-N 3.02Å; N239-G242 PolarHBondContact O-N 3.14Å; N239-G242 PolarHBondContact OD1-N 2.67Å; N239-G242 VanDerWaalsContact OD1-N 3.14Å; N239-F243 PolarHBondContact N-O 3.07Å; N239-F243 PolarHBondContact OD1-N 3.36Å; N239-V245 HydrophobicContact CB-CG1 3.89Å; N239-V245 HydrophobicContact CB-CG2 3.92Å
240	K	93.8	Very high	96.6	Very high	222 Å²	222	57.3 Å²	57.3	97%	0.965	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-19.7	179.8	-64.3	-173.8	179.7	-177.5	0	115.1
241	K	93.7	Very high	96.5	Very high	167 Å²	167	59.8 Å²	59.8	73%	0.726	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	8.8	179.5	-65.1	-175.4	178.7	-178.7	0	112.7	N239 F243 K275	N239-K241 PolarHBondContact O-N 3.38Å; N239-K241 WeakPolarHBondContact OD1-CA 3.42Å; N239-K241 PolarHBondContact OD1-N 3.02Å; K241-F243 VanDerWaalsContact C-N 3.35Å; K241-F243 HydrophobicContact CB-CD2 3.85Å; K241-F243 HydrophobicContact CB-CE2 4.24Å; K241-F243 WeakPolarHBondContact O-CD2 3.4Å; K241-K275 WeakPolarHBondContact O-CE 3.48Å; K241-K275 PolarHBondContact O-NZ 3.09Å
242	G	94.3	Very high	96.4	Very high	14 Å²	14	68 Å²	68	14%	0.144	33%	0.333	C	S	.	.	S	Bend	trans	78.2	10.7	-179.5	0	0	0	0	0	115.1	N239 K275	N239-G242 PolarHBondContact O-N 3.14Å; N239-G242 PolarHBondContact OD1-N 2.67Å; N239-G242 VanDerWaalsContact OD1-N 3.14Å; G242-K275 WeakPolarHBondContact O-CE 3.36Å; G242-K275 VanDerWaalsContact O-CG 3.29Å; G242-K275 WeakPolarHBondContact O-CG 3.47Å
243	F	96.4	Very high	96.3	Very high	75 Å²	75	67.5 Å²	67.5	33%	0.329	33%	0.33	S	S	.	.			trans	-90.1	146.4	179.4	-73.8	-96.1	0	0	0	112	N239 K241 K275	N239-F243 PolarHBondContact N-O 3.07Å; N239-F243 PolarHBondContact OD1-N 3.36Å; K241-F243 VanDerWaalsContact C-N 3.35Å; K241-F243 HydrophobicContact CB-CD2 3.85Å; K241-F243 HydrophobicContact CB-CE2 4.24Å; K241-F243 WeakPolarHBondContact O-CD2 3.4Å; F243-K275 HydrophobicContact CD1-CD 4.22Å; F243-K275 HydrophobicContact CD1-CG 4.49Å; F243-K275 HydrophobicContact CE1-CD 4.04Å; F243-K275 HydrophobicContact CE2-CD 4.38Å; F243-K275 HydrophobicContact CG-CD 4.46Å; F243-K275 HydrophobicContact CZ-CD 4.13Å
244	P	97.6	Very high	96.3	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.006	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	130.8	173.4	27.9	-34.2	0	0	0	111	F236 L237 H272 Y280	F236-P244 HydrophobicContact CB-CB 3.82Å; F236-P244 HydrophobicContact CD1-CB 3.87Å; F236-P244 HydrophobicContact CG-CB 4.16Å; L237-P244 CarbonylContact O-C 3.58Å; L237-P244 WeakPolarHBondContact O-CA 3.44Å; P244-H272 WeakPolarHBondContact CA-NE2 3.14Å; P244-Y280 HydrophobicContact CB-CD1 3.68Å; P244-Y280 HydrophobicContact CB-CE1 3.65Å; P244-Y280 HydrophobicContact CG-CD1 3.92Å; P244-Y280 HydrophobicContact CG-CE1 4.12Å; P244-Y280 HydrophobicContact CG-CG 4.28Å
245	V	97.5	Very high	96.3	Very high	30 Å²	30	66.7 Å²	66.7	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	148	175.7	-60.8	0	0	0	0	110.9	F236 L237 N239 Y283	F236-V245 CarbonylContact C-O 3.54Å; L237-V245 HydrophobicContact CB-CG2 4.31Å; L237-V245 PolarHBondContact N-O 3.31Å; L237-V245 WeakPolarHBondContact O-CG2 3.33Å; L237-V245 PolarHBondContact O-N 3.31Å; N239-V245 HydrophobicContact CB-CG1 3.89Å; N239-V245 HydrophobicContact CB-CG2 3.92Å; V245-Y283 HydrophobicContact CB-CD2 4.47Å; V245-Y283 HydrophobicContact CB-CE2 3.85Å; V245-Y283 HydrophobicContact CG1-CD2 4.01Å; V245-Y283 HydrophobicContact CG1-CE2 3.66Å
246	L	97.7	Very high	96.2	Very high	3 Å²	3	70.6 Å²	70.6	2%	0.016	33%	0.331	C	S	.	.			trans	-87.7	152.5	176.2	-69.6	172.8	0	0	0	111	I235 F236 H250 Q251 I254 Y283 L287	I235-L246 HydrophobicContact CD1-CD2 3.81Å; I235-L246 HydrophobicContact CG1-CD2 3.58Å; F236-L246 HydrophobicContact CD1-CD2 3.94Å; F236-L246 HydrophobicContact CD1-CG 4.02Å; F236-L246 HydrophobicContact CD2-CD2 4.19Å; F236-L246 HydrophobicContact CE1-CD1 4.32Å; F236-L246 HydrophobicContact CE1-CD2 3.97Å; F236-L246 HydrophobicContact CE1-CG 3.89Å; F236-L246 HydrophobicContact CE2-CD2 4.2Å; F236-L246 HydrophobicContact CG-CD2 4.07Å; F236-L246 HydrophobicContact CZ-CD2 4.1Å; F236-L246 HydrophobicContact CZ-CG 4.36Å; L246-H250 HydrophobicContact CB-CB 3.83Å; L246-H250 HydrophobicContact CD1-CB 4.42Å; L246-H250 HydrophobicContact CD2-CB 4.24Å; L246-H250 HydrophobicContact CG-CB 4.4Å; L246-Q251 HydrophobicContact CB-CG 4.16Å; L246-Q251 PolarHBondContact O-NE2 3Å; L246-I254 HydrophobicContact CD1-CD1 4.27Å; L246-I254 HydrophobicContact CD1-CG1 3.71Å; L246-Y283 HydrophobicContact CB-CE1 3.78Å; L246-Y283 HydrophobicContact CD1-CE1 4.02Å; L246-Y283 HydrophobicContact CG-CD1 4.39Å; L246-Y283 HydrophobicContact CG-CE1 3.7Å; L246-Y283 VanDerWaalsContact N-CZ 3.32Å; L246-Y283 PolarHBondContact N-OH 3.04Å; L246-Y283 VanDerWaalsContact N-OH 3.08Å; L246-L287 HydrophobicContact CD1-CD1 4.19Å
247	S	96.9	Very high	96.1	Very high	37 Å²	37	70.1 Å²	70.1	26%	0.259	33%	0.329	S	S	.	.			trans	-63.6	161.3	172.6	89.9	0	0	0	0	111.2	M249 H250 Q251	S247-M249 PolarHBondContact O-N 3.05Å; S247-H250 PolarHBondContact O-N 3.37Å; S247-H250 PolarHBondContact OG-ND1 3.14Å; S247-Q251 WeakPolarHBondContact O-CG 3.41Å; S247-Q251 PolarHBondContact O-N 2.9Å
248	K	96.1	Very high	96	Very high	164 Å²	164	66.2 Å²	66.2	71%	0.713	31%	0.308	S	S	*	.	H	α-helix	trans	-58.8	-34.3	-179.7	-68.9	-173.1	177.8	179.4	0	112.9	Q251 R252	K248-Q251 PolarHBondContact O-N 3.2Å; K248-R252 WeakPolarHBondContact O-CG 3.22Å; K248-R252 PolarHBondContact O-N 3.26Å; K248-R252 VanDerWaalsContact O-N 3.14Å
249	M	95.9	Very high	95.8	Very high	115 Å²	115	67 Å²	67	57%	0.567	30%	0.304	S	S	*	.	H	α-helix	trans	-68.1	-45.4	178	-65	176.5	64	0	0	110.9	L212 S247 Q251 R252 L253	L212-M249 HydrophobicContact CD1-CB 3.94Å; S247-M249 PolarHBondContact O-N 3.05Å; M249-Q251 PolarHBondContact O-N 3.09Å; M249-R252 WeakPolarHBondContact O-CB 3.49Å; M249-R252 PolarHBondContact O-N 3.24Å; M249-L253 PolarHBondContact O-N 2.96Å
250	H	97.8	Very high	95.7	Very high	11 Å²	11	65.8 Å²	65.8	5%	0.051	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-45.5	173.1	-69.7	92	0	0	0	111.7	G209 A210 L246 S247 R252 L253 I254	G209-H250 PolarHBondContact O-NE2 3.31Å; A210-H250 PolarHBondContact O-CE1 2.77Å; L246-H250 HydrophobicContact CB-CB 3.83Å; L246-H250 HydrophobicContact CD1-CB 4.42Å; L246-H250 HydrophobicContact CD2-CB 4.24Å; L246-H250 HydrophobicContact CG-CB 4.4Å; S247-H250 PolarHBondContact O-N 3.37Å; S247-H250 PolarHBondContact OG-ND1 3.14Å; H250-R252 VanDerWaalsContact C-N 3.29Å; H250-R252 PolarHBondContact O-N 2.86Å; H250-L253 WeakPolarHBondContact O-CB 3.42Å; H250-L253 PolarHBondContact O-N 3.48Å; H250-I254 VanDerWaalsContact O-CG1 3.28Å; H250-I254 WeakPolarHBondContact O-CG1 3.36Å; H250-I254 PolarHBondContact O-N 3.45Å
251	Q	96.6	Very high	95.7	Very high	53 Å²	53	62.4 Å²	62.4	25%	0.248	28%	0.284	C	S	.	.	H	α-helix	trans	-55.2	-44.1	177.3	-70	174	27.3	0	0	111.9	L246 S247 K248 M249 L253 I254 F255 Y283 L287	L246-Q251 HydrophobicContact CB-CG 4.16Å; L246-Q251 PolarHBondContact O-NE2 3Å; S247-Q251 WeakPolarHBondContact O-CG 3.41Å; S247-Q251 PolarHBondContact O-N 2.9Å; K248-Q251 PolarHBondContact O-N 3.2Å; M249-Q251 PolarHBondContact O-N 3.09Å; Q251-L253 PolarHBondContact O-N 2.75Å; Q251-I254 PolarHBondContact O-N 2.68Å; Q251-F255 HydrophobicContact CB-CE2 4.15Å; Q251-F255 WeakPolarHBondContact O-CD2 3.28Å; Q251-F255 WeakPolarHBondContact O-CG 3.44Å; Q251-F255 PolarHBondContact O-N 2.83Å; Q251-Y283 PolarHBondContact NE2-OH 2.84Å; Q251-L287 HydrophobicContact CG-CD1 4.39Å; Q251-L287 HydrophobicContact CG-CD2 4.07Å
252	R	95.9	Very high	95.8	Very high	172 Å²	172	54.8 Å²	54.8	65%	0.649	25%	0.252	S	S	*	.	H	α-helix	trans	-58.4	-45.2	175.6	-71.5	173.5	-177.4	174.5	-0.9	112	K248 M249 H250 F255 R256	K248-R252 WeakPolarHBondContact O-CG 3.22Å; K248-R252 PolarHBondContact O-N 3.26Å; K248-R252 VanDerWaalsContact O-N 3.14Å; M249-R252 WeakPolarHBondContact O-CB 3.49Å; M249-R252 PolarHBondContact O-N 3.24Å; H250-R252 VanDerWaalsContact C-N 3.29Å; H250-R252 PolarHBondContact O-N 2.86Å; R252-F255 PolarHBondContact O-N 3.05Å; R252-R256 WeakPolarHBondContact O-CG 3.45Å; R252-R256 PolarHBondContact O-N 2.77Å
253	L	97.1	Very high	96	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-45.1	176.4	178.4	54.2	0	0	0	111.8	L157 I208 L212 I218 M249 H250 Q251 F255 R256 L257	L157-L253 HydrophobicContact CD2-CD2 4.15Å; I208-L253 HydrophobicContact CD1-CD2 3.96Å; I208-L253 HydrophobicContact CG2-CD2 4.16Å; L212-L253 HydrophobicContact CD1-CD2 4.42Å; L212-L253 HydrophobicContact CD2-CD2 4.03Å; I218-L253 HydrophobicContact CG2-CD1 3.67Å; M249-L253 PolarHBondContact O-N 2.96Å; H250-L253 WeakPolarHBondContact O-CB 3.42Å; H250-L253 PolarHBondContact O-N 3.48Å; Q251-L253 PolarHBondContact O-N 2.75Å; L253-F255 VanDerWaalsContact C-N 3.32Å; L253-F255 PolarHBondContact O-N 3.23Å; L253-R256 WeakPolarHBondContact O-CB 3.27Å; L253-R256 PolarHBondContact O-N 2.74Å; L253-R256 VanDerWaalsContact O-N 3.08Å; L253-L257 HydrophobicContact CD1-CD1 4.12Å; L253-L257 HydrophobicContact CD1-CG 4.14Å; L253-L257 HydrophobicContact CG-CD1 3.93Å; L253-L257 HydrophobicContact CG-CG 4.44Å; L253-L257 WeakPolarHBondContact O-CG 3.29Å; L253-L257 PolarHBondContact O-N 2.68Å
254	I	96.5	Very high	96	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-42	177.7	-62.6	-60.6	0	0	0	111.3	L231 L246 H250 Q251 R256 L257 L258 F264 L284 L287	L231-I254 HydrophobicContact CD1-CD1 3.95Å; L231-I254 HydrophobicContact CD2-CD1 3.93Å; L246-I254 HydrophobicContact CD1-CD1 4.27Å; L246-I254 HydrophobicContact CD1-CG1 3.71Å; H250-I254 VanDerWaalsContact O-CG1 3.28Å; H250-I254 WeakPolarHBondContact O-CG1 3.36Å; H250-I254 PolarHBondContact O-N 3.45Å; Q251-I254 PolarHBondContact O-N 2.68Å; I254-R256 VanDerWaalsContact C-N 3.28Å; I254-R256 PolarHBondContact O-N 3.35Å; I254-L257 HydrophobicContact CD1-CD1 4.44Å; I254-L257 PolarHBondContact O-N 3.15Å; I254-L258 HydrophobicContact CG2-CD1 3.94Å; I254-L258 HydrophobicContact CG2-CG 4.26Å; I254-L258 WeakPolarHBondContact O-CB 3.38Å; I254-L258 VanDerWaalsContact O-CG 3.31Å; I254-L258 WeakPolarHBondContact O-CG 3.43Å; I254-L258 PolarHBondContact O-N 3.03Å; I254-F264 HydrophobicContact CD1-CD1 4.15Å; I254-F264 HydrophobicContact CD1-CE1 3.5Å; I254-F264 VanDerWaalsContact CD1-CE1 3.5Å; I254-F264 HydrophobicContact CD1-CZ 4.34Å; I254-F264 HydrophobicContact CG2-CE1 4.13Å; I254-F264 HydrophobicContact CG2-CZ 3.96Å; I254-L284 HydrophobicContact CG2-CD2 4.49Å; I254-L287 HydrophobicContact CB-CD1 4.46Å; I254-L287 HydrophobicContact CG2-CD1 4.03Å
255	F	95.4	Very high	96.1	Very high	59 Å²	59	53.2 Å²	53.2	26%	0.259	24%	0.242	S	C	.	.	H	α-helix	trans	-61.3	-36.1	175.9	-70.2	-53.4	0	0	0	112.9	Q251 R252 L253 L258 K259 L287 R291	Q251-F255 HydrophobicContact CB-CE2 4.15Å; Q251-F255 WeakPolarHBondContact O-CD2 3.28Å; Q251-F255 WeakPolarHBondContact O-CG 3.44Å; Q251-F255 PolarHBondContact O-N 2.83Å; R252-F255 PolarHBondContact O-N 3.05Å; L253-F255 VanDerWaalsContact C-N 3.32Å; L253-F255 PolarHBondContact O-N 3.23Å; F255-L258 HydrophobicContact CD1-CD1 4.34Å; F255-K259 PolarHBondContact O-N 3.19Å; F255-L287 HydrophobicContact CE1-CB 4.4Å; F255-L287 WeakPolarHBondContact CE1-O 3.37Å; F255-L287 HydrophobicContact CZ-CD2 4.12Å; F255-R291 HydrophobicContact CD1-CB 3.88Å; F255-R291 HydrophobicContact CE1-CB 3.96Å
256	R	95.2	Very high	96.1	Very high	89 Å²	89	51.8 Å²	51.8	34%	0.336	23%	0.233	S	C	.	.	H	α-helix	trans	-71.7	-40.3	176.6	-63.9	176.7	72.4	-176.5	2.4	111.9	D219 L222 R252 L253 I254 K259 L260	D219-R256 IonicContact OD1-CZ 2.65Å; D219-R256 IonicContact OD1-NH1 2.8Å; D219-R256 PolarHBondContact OD1-NH1 3.36Å; D219-R256 IonicContact OD1-NH2 2.94Å; D219-R256 PolarHBondContact OD1-NH2 2.73Å; L222-R256 HydrophobicContact CD1-CB 3.91Å; L222-R256 HydrophobicContact CD1-CG 4.5Å; L222-R256 HydrophobicContact CD2-CB 4.25Å; R252-R256 WeakPolarHBondContact O-CG 3.45Å; R252-R256 PolarHBondContact O-N 2.77Å; L253-R256 WeakPolarHBondContact O-CB 3.27Å; L253-R256 PolarHBondContact O-N 2.74Å; L253-R256 VanDerWaalsContact O-N 3.08Å; I254-R256 VanDerWaalsContact C-N 3.28Å; I254-R256 PolarHBondContact O-N 3.35Å; R256-K259 VanDerWaalsContact O-CB 3.24Å; R256-K259 WeakPolarHBondContact O-CB 3.4Å; R256-K259 PolarHBondContact O-N 3Å; R256-L260 PolarHBondContact O-N 3.19Å
257	L	96.5	Very high	96.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.6	-38.6	175	-68.6	168.5	0	0	0	112.4	L222 I226 A229 L253 I254 K259 L260 E261 V262 F264	L222-L257 HydrophobicContact CD2-CD2 3.81Å; L222-L257 HydrophobicContact CD2-CG 4.34Å; I226-L257 HydrophobicContact CD1-CD2 4.01Å; I226-L257 HydrophobicContact CG2-CD2 4.28Å; A229-L257 HydrophobicContact CB-CD1 3.84Å; L253-L257 HydrophobicContact CD1-CD1 4.12Å; L253-L257 HydrophobicContact CD1-CG 4.14Å; L253-L257 HydrophobicContact CG-CD1 3.93Å; L253-L257 HydrophobicContact CG-CG 4.44Å; L253-L257 WeakPolarHBondContact O-CG 3.29Å; L253-L257 PolarHBondContact O-N 2.68Å; I254-L257 HydrophobicContact CD1-CD1 4.44Å; I254-L257 PolarHBondContact O-N 3.15Å; L257-K259 PolarHBondContact O-N 3.39Å; L257-L260 CarbonylContact O-C 3.51Å; L257-L260 PolarHBondContact O-N 3.18Å; L257-L260 VanDerWaalsContact O-N 3.12Å; L257-E261 PolarHBondContact O-N 3.43Å; L257-V262 HydrophobicContact CB-CB 4.19Å; L257-V262 HydrophobicContact CB-CG2 4.37Å; L257-V262 HydrophobicContact CD2-CG1 4.49Å; L257-V262 HydrophobicContact CD2-CG2 4.08Å; L257-V262 WeakPolarHBondContact O-CB 3.14Å; L257-V262 WeakPolarHBondContact O-CG2 3.3Å; L257-V262 PolarHBondContact O-N 3.38Å; L257-F264 HydrophobicContact CB-CE1 4.32Å; L257-F264 HydrophobicContact CB-CZ 4.04Å; L257-F264 HydrophobicContact CD1-CE1 4.34Å
258	L	94.2	Very high	96	Very high	16 Å²	16	52.3 Å²	52.3	8%	0.084	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-32.2	172.6	-78.9	167.7	0	0	0	112	V14 I254 F255 L260 E261 F264	V14-L258 HydrophobicContact CG1-CD2 4.31Å; V14-L258 HydrophobicContact CG2-CD2 4.08Å; I254-L258 HydrophobicContact CG2-CD1 3.94Å; I254-L258 HydrophobicContact CG2-CG 4.26Å; I254-L258 WeakPolarHBondContact O-CB 3.38Å; I254-L258 VanDerWaalsContact O-CG 3.31Å; I254-L258 WeakPolarHBondContact O-CG 3.43Å; I254-L258 PolarHBondContact O-N 3.03Å; F255-L258 HydrophobicContact CD1-CD1 4.34Å; L258-L260 VanDerWaalsContact C-N 3.29Å; L258-E261 PolarHBondContact O-N 3.37Å; L258-F264 HydrophobicContact CD2-CE2 3.59Å; L258-F264 HydrophobicContact CD2-CZ 4.18Å; L258-F264 HydrophobicContact CG-CE2 3.96Å; L258-F264 HydrophobicContact CG-CZ 4.01Å
259	K	91.9	Very high	95.9	Very high	114 Å²	114	49.3 Å²	49.3	50%	0.496	24%	0.237	S	C	.	.	H	α-helix	trans	-66.5	-34	176.4	-146.7	175.4	-174	175.8	0	111.7	F255 R256 L257 E261 E298 H507	F255-K259 PolarHBondContact O-N 3.19Å; R256-K259 VanDerWaalsContact O-CB 3.24Å; R256-K259 WeakPolarHBondContact O-CB 3.4Å; R256-K259 PolarHBondContact O-N 3Å; L257-K259 PolarHBondContact O-N 3.39Å; K259-E261 VanDerWaalsContact C-N 3.26Å; K259-E261 PolarHBondContact O-N 3.43Å; K259-E298 WeakPolarHBondContact CE-OE1 3.41Å; K259-E298 IonicContact NZ-OE1 2.77Å; K259-E298 PolarHBondContact NZ-OE1 3.35Å; K259-H507 PolarHBondContact O-CE1 3.46Å; K259-H507 PolarHBondContact O-NE2 2.84Å; K259-H507 VanDerWaalsContact O-NE2 3.07Å
260	L	93.6	Very high	95.9	Very high	29 Å²	29	46.6 Å²	46.6	15%	0.152	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	9.1	174.8	-62.9	179.2	0	0	0	113.7	L222 R256 L257 L258 V262 N508	L222-L260 HydrophobicContact CB-CD1 4.26Å; L222-L260 HydrophobicContact CD2-CD1 3.57Å; R256-L260 PolarHBondContact O-N 3.19Å; L257-L260 CarbonylContact O-C 3.51Å; L257-L260 PolarHBondContact O-N 3.18Å; L257-L260 VanDerWaalsContact O-N 3.12Å; L258-L260 VanDerWaalsContact C-N 3.29Å; L260-V262 HydrophobicContact CB-CG2 3.9Å; L260-V262 PolarHBondContact O-N 2.64Å; L260-N508 HydrophobicContact CD2-CB 4.36Å
261	E	92.4	Very high	95.6	Very high	151 Å²	151	51.1 Å²	51.1	71%	0.706	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	34.3	-177.6	-55.1	-168.7	149.2	0	0	114.1	L257 L258 K259	L257-E261 PolarHBondContact O-N 3.43Å; L258-E261 PolarHBondContact O-N 3.37Å; K259-E261 VanDerWaalsContact C-N 3.26Å; K259-E261 PolarHBondContact O-N 3.43Å
262	V	96.2	Very high	95.5	Very high	7 Å²	7	49 Å²	49	4%	0.042	24%	0.236	C	C	.	.			trans	-69.1	140	179.2	173.3	0	0	0	0	111.1	I226 A228 A229 L257 L260 F264	I226-V262 HydrophobicContact CB-CG2 4.13Å; I226-V262 HydrophobicContact CG2-CG1 3.87Å; I226-V262 HydrophobicContact CG2-CG2 3.73Å; A228-V262 VanDerWaalsContact C-CG1 3.46Å; A229-V262 HydrophobicContact CB-CG1 3.88Å; L257-V262 HydrophobicContact CB-CB 4.19Å; L257-V262 HydrophobicContact CB-CG2 4.37Å; L257-V262 HydrophobicContact CD2-CG1 4.49Å; L257-V262 HydrophobicContact CD2-CG2 4.08Å; L257-V262 WeakPolarHBondContact O-CB 3.14Å; L257-V262 WeakPolarHBondContact O-CG2 3.3Å; L257-V262 PolarHBondContact O-N 3.38Å; L260-V262 HydrophobicContact CB-CG2 3.9Å; L260-V262 PolarHBondContact O-N 2.64Å; V262-F264 WeakPolarHBondContact O-CE2 3.13Å
263	Q	97.6	Very high	95	Very high	56 Å²	56	46.1 Å²	46.1	26%	0.262	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	145.6	173.3	-57.2	-174.2	1.1	0	0	111.2	S15 F40 K227 A228 A229	S15-Q263 WeakPolarHBondContact O-CA 3.33Å; F40-Q263 HydrophobicContact CE1-CB 4.41Å; F40-Q263 HydrophobicContact CZ-CB 4.32Å; F40-Q263 VanDerWaalsContact CZ-OE1 3.28Å; K227-Q263 PolarHBondContact O-N 3.39Å; A228-Q263 CarbonylContact C-O 3.55Å; A228-Q263 WeakPolarHBondContact CA-O 3.25Å; A229-Q263 PolarHBondContact N-O 2.97Å
264	F	98.2	Very high	94.7	Very high	1 Å²	1	53.8 Å²	53.8	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.8	-179.4	-66.6	-83.6	0	0	0	111.6	V14 S15 S16 G17 A229 L231 I254 L257 L258 V262 L284	V14-F264 HydrophobicContact CG1-CD2 3.35Å; V14-F264 HydrophobicContact CG1-CE2 3.87Å; V14-F264 HydrophobicContact CG1-CG 4.36Å; S15-F264 PolarHBondContact O-N 3.25Å; S16-F264 CarbonylContact C-O 3.55Å; S16-F264 WeakPolarHBondContact CA-O 3.27Å; G17-F264 PolarHBondContact N-O 3.34Å; A229-F264 HydrophobicContact CB-CD1 3.92Å; A229-F264 HydrophobicContact CB-CE1 3.97Å; A229-F264 CarbonylContact O-C 3.44Å; A229-F264 WeakPolarHBondContact O-CA 3.12Å; L231-F264 HydrophobicContact CD1-CD1 3.8Å; L231-F264 HydrophobicContact CG-CD1 4.24Å; I254-F264 HydrophobicContact CD1-CD1 4.15Å; I254-F264 HydrophobicContact CD1-CE1 3.5Å; I254-F264 VanDerWaalsContact CD1-CE1 3.5Å; I254-F264 HydrophobicContact CD1-CZ 4.34Å; I254-F264 HydrophobicContact CG2-CE1 4.13Å; I254-F264 HydrophobicContact CG2-CZ 3.96Å; L257-F264 HydrophobicContact CB-CE1 4.32Å; L257-F264 HydrophobicContact CB-CZ 4.04Å; L257-F264 HydrophobicContact CD1-CE1 4.34Å; L258-F264 HydrophobicContact CD2-CE2 3.59Å; L258-F264 HydrophobicContact CD2-CZ 4.18Å; L258-F264 HydrophobicContact CG-CE2 3.96Å; L258-F264 HydrophobicContact CG-CZ 4.01Å; V262-F264 WeakPolarHBondContact O-CE2 3.13Å; F264-L284 HydrophobicContact CB-CD1 3.71Å; F264-L284 HydrophobicContact CG-CD1 4.08Å
265	I	98.5	Very high	94.5	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.8	180	-60.9	170.7	0	0	0	108.9	G17 D19 F40 W152 A228 A229 I230 L231	G17-I265 CarbonylContact O-C 3.53Å; G17-I265 WeakPolarHBondContact O-CA 3.47Å; D19-I265 HydrophobicContact CB-CG2 3.61Å; F40-I265 HydrophobicContact CE2-CD1 4.3Å; F40-I265 HydrophobicContact CE2-CG1 4.02Å; F40-I265 HydrophobicContact CZ-CG1 3.96Å; W152-I265 HydrophobicContact CE3-CD1 4.34Å; W152-I265 HydrophobicContact CZ3-CD1 4.09Å; A228-I265 HydrophobicContact CB-CD1 3.69Å; A228-I265 HydrophobicContact CB-CG1 4.29Å; A229-I265 PolarHBondContact O-N 3.42Å; I230-I265 CarbonylContact C-O 3.59Å; I230-I265 WeakPolarHBondContact CA-O 3.42Å; I230-I265 HydrophobicContact CG1-CB 4.09Å; I230-I265 HydrophobicContact CG1-CD1 4.18Å; I230-I265 HydrophobicContact CG1-CG2 4.44Å; L231-I265 PolarHBondContact N-O 3.07Å
266	I	98.1	Very high	94.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.7	177	-55.1	-56.8	0	0	0	110.2	G17 R18 D19 F38 L231 T233 F236 F277 L284	G17-I266 PolarHBondContact O-N 2.85Å; R18-I266 WeakPolarHBondContact CD-O 3.44Å; R18-I266 PolarHBondContact NH1-O 3.38Å; D19-I266 PolarHBondContact N-O 3.17Å; F38-I266 HydrophobicContact CE1-CB 3.98Å; F38-I266 HydrophobicContact CE1-CG1 3.77Å; F38-I266 HydrophobicContact CZ-CB 4.21Å; F38-I266 HydrophobicContact CZ-CG1 4.21Å; L231-I266 HydrophobicContact CB-CD1 3.94Å; L231-I266 HydrophobicContact CD1-CD1 4.18Å; L231-I266 WeakPolarHBondContact O-CA 3.39Å; T233-I266 HydrophobicContact CG2-CG2 3.63Å; F236-I266 HydrophobicContact CE2-CD1 4.39Å; F236-I266 HydrophobicContact CZ-CD1 4.12Å; I266-F277 HydrophobicContact CG2-CE1 3.89Å; I266-F277 HydrophobicContact CG2-CZ 3.74Å; I266-L284 HydrophobicContact CD1-CD1 3.96Å
267	T	97.2	Very high	94.3	Very high	16 Å²	16	57.3 Å²	57.3	10%	0.098	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	156.9	178.2	-167	0	0	0	0	112	D19 I230 L231 P232 T233	D19-T267 WeakPolarHBondContact OD2-CB 3.34Å; D19-T267 PolarHBondContact OD2-OG1 3.15Å; I230-T267 HydrophobicContact CG2-CG2 3.62Å; L231-T267 PolarHBondContact O-N 3.07Å; P232-T267 CarbonylContact C-O 3.59Å; P232-T267 WeakPolarHBondContact CA-O 3.22Å; P232-T267 HydrophobicContact CB-CG2 4.1Å; P232-T267 HydrophobicContact CG-CG2 4.09Å; T233-T267 WeakPolarHBondContact CG2-O 3.35Å; T233-T267 PolarHBondContact N-O 3.48Å; T233-T267 PolarHBondContact OG1-O 3.04Å
268	G	95.8	Very high	94.2	Very high	34 Å²	34	58.2 Å²	58.2	35%	0.351	30%	0.304	S	S	.	.	S	Bend	trans	96.7	177.3	179.7	0	0	0	0	0	115	R18	R18-G268 VanDerWaalsContact CZ-O 3.31Å; R18-G268 PolarHBondContact NH1-O 3.25Å; R18-G268 PolarHBondContact NH2-O 3.14Å
269	T	94.1	Very high	94.3	Very high	101 Å²	101	57.7 Å²	57.7	62%	0.62	30%	0.301	S	S	*	.			trans	-84.5	171	-178.6	51.7	0	0	0	0	111.9	T233 H271	T233-T269 VanDerWaalsContact CB-O 3.25Å; T233-T269 WeakPolarHBondContact CB-O 3.43Å; T233-T269 WeakPolarHBondContact CG2-O 3.47Å; T233-T269 PolarHBondContact OG1-N 2.78Å; T233-T269 PolarHBondContact OG1-O 2.84Å; T269-H271 PolarHBondContact O-CD2 2.89Å; T269-H271 VanDerWaalsContact O-CD2 3.29Å; T269-H271 PolarHBondContact O-N 3.42Å
270	N	94.7	Very high	94.5	Very high	58 Å²	58	52.2 Å²	52.2	31%	0.31	28%	0.278	S	S	.	.			trans	-74.7	110.9	174.7	-167.1	5.7	0	0	0	110.7	H272 K275 F277 Y280	N270-H272 PolarHBondContact ND2-O 3.12Å; N270-H272 PolarHBondContact OD1-N 3.06Å; N270-H272 PolarHBondContact OD1-O 3.02Å; N270-K275 PolarHBondContact ND2-O 3.37Å; N270-F277 HydrophobicContact CB-CD2 3.95Å; N270-F277 HydrophobicContact CB-CE2 4.4Å; N270-Y280 PolarHBondContact OD1-OH 3.16Å
271	H	91.8	Very high	94.6	Very high	107 Å²	107	51.1 Å²	51.1	50%	0.495	27%	0.272	S	S	.	.	S	Bend	trans	-85.1	-12.8	173.3	-70.8	-96.7	0	0	0	113.3	T233 T269 Y280	T233-H271 PolarHBondContact OG1-CD2 3.08Å; T233-H271 VanDerWaalsContact OG1-CD2 3.24Å; T269-H271 PolarHBondContact O-CD2 2.89Å; T269-H271 VanDerWaalsContact O-CD2 3.29Å; T269-H271 PolarHBondContact O-N 3.42Å; H271-Y280 PolarHBondContact N-OH 3.06Å; H271-Y280 VanDerWaalsContact N-OH 3.09Å
272	H	94	Very high	94.7	Very high	9 Å²	9	48.5 Å²	48.5	4%	0.042	26%	0.26	C	S	.	.			trans	-111.7	69.6	-177.3	-60.5	77.5	0	0	0	108.7	F236 T238 P244 N270 E274 K275 Y280	F236-H272 PolarHBondContact O-CE1 3.38Å; T238-H272 PolarHBondContact OG1-NE2 3.31Å; P244-H272 WeakPolarHBondContact CA-NE2 3.14Å; N270-H272 PolarHBondContact ND2-O 3.12Å; N270-H272 PolarHBondContact OD1-N 3.06Å; N270-H272 PolarHBondContact OD1-O 3.02Å; H272-E274 PolarHBondContact O-N 3.48Å; H272-E274 VanDerWaalsContact O-N 3.15Å; H272-K275 HydrophobicContact CB-CB 4.39Å; H272-K275 CarbonylContact O-C 3.6Å; H272-K275 WeakPolarHBondContact O-CA 3.27Å; H272-K275 PolarHBondContact O-N 2.64Å; H272-Y280 PolarHBondContact N-OH 3.04Å; H272-Y280 AromaticContact ND1-CE1 3.64Å; H272-Y280 AromaticContact ND1-CZ 3.55Å; H272-Y280 PolarHBondContact ND1-OH 3.21Å
273	S	87.2	Confident	94.7	Very high	110 Å²	110	49.2 Å²	49.2	77%	0.769	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26	-170.7	53.2	0	0	0	0	114.8	K275	S273-K275 PolarHBondContact O-N 3.3Å
274	E	89.6	Confident	94.6	Very high	168 Å²	168	46.7 Å²	46.7	79%	0.785	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-8.5	174.2	-61.7	-175.9	177.5	0	0	113.6	H272	H272-E274 PolarHBondContact O-N 3.48Å; H272-E274 VanDerWaalsContact O-N 3.15Å
275	K	91.6	Very high	94.4	Very high	53 Å²	53	49.3 Å²	49.3	23%	0.23	26%	0.262	C	S	.	.	S	Bend	trans	-120.6	150.6	179.5	-55.8	-59.2	176.6	-164.7	0	110.6	K241 G242 F243 N270 H272 S273	K241-K275 WeakPolarHBondContact O-CE 3.48Å; K241-K275 PolarHBondContact O-NZ 3.09Å; G242-K275 WeakPolarHBondContact O-CE 3.36Å; G242-K275 VanDerWaalsContact O-CG 3.29Å; G242-K275 WeakPolarHBondContact O-CG 3.47Å; F243-K275 HydrophobicContact CD1-CD 4.22Å; F243-K275 HydrophobicContact CD1-CG 4.49Å; F243-K275 HydrophobicContact CE1-CD 4.04Å; F243-K275 HydrophobicContact CE2-CD 4.38Å; F243-K275 HydrophobicContact CG-CD 4.46Å; F243-K275 HydrophobicContact CZ-CD 4.13Å; N270-K275 PolarHBondContact ND2-O 3.37Å; H272-K275 HydrophobicContact CB-CB 4.39Å; H272-K275 CarbonylContact O-C 3.6Å; H272-K275 WeakPolarHBondContact O-CA 3.27Å; H272-K275 PolarHBondContact O-N 2.64Å; S273-K275 PolarHBondContact O-N 3.3Å
276	E	93.7	Very high	94.2	Very high	150 Å²	150	55.1 Å²	55.1	70%	0.701	29%	0.285	S	S	*	.			trans	-67.7	154.9	170.5	-64.8	-170.3	154.7	0	0	111.1	C278 S279	E276-C278 VanDerWaalsContact CB-SG 3.58Å; E276-C278 PolarHBondContact O-N 3.02Å; E276-C278 VanDerWaalsContact O-N 3.17Å; E276-C278 PolarHBondContact OE2-SG 3.34Å; E276-S279 VanDerWaalsContact O-CB 3.27Å; E276-S279 WeakPolarHBondContact O-CB 3.42Å; E276-S279 PolarHBondContact O-N 3Å; E276-S279 PolarHBondContact O-OG 3.05Å
277	F	94.1	Very high	94.1	Very high	22 Å²	22	55.2 Å²	55.2	10%	0.096	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.3	179	-158.8	-85	0	0	0	112.9	F38 T233 I266 N270 S279 Y280	F38-F277 AromaticContact CE2-CD1 3.72Å; F38-F277 HydrophobicContact CE2-CD1 3.72Å; F38-F277 AromaticContact CE2-CE1 3.88Å; F38-F277 HydrophobicContact CE2-CE1 3.88Å; F38-F277 AromaticContact CZ-CD1 3.86Å; F38-F277 HydrophobicContact CZ-CD1 3.86Å; F38-F277 AromaticContact CZ-CE1 3.63Å; F38-F277 HydrophobicContact CZ-CE1 3.63Å; T233-F277 HydrophobicContact CG2-CE2 4.02Å; T233-F277 HydrophobicContact CG2-CZ 3.83Å; I266-F277 HydrophobicContact CG2-CE1 3.89Å; I266-F277 HydrophobicContact CG2-CZ 3.74Å; N270-F277 HydrophobicContact CB-CD2 3.95Å; N270-F277 HydrophobicContact CB-CE2 4.4Å; F277-S279 PolarHBondContact O-N 2.98Å; F277-S279 VanDerWaalsContact O-N 3.14Å; F277-Y280 HydrophobicContact CD1-CD2 4.38Å; F277-Y280 HydrophobicContact CD2-CD2 4.39Å; F277-Y280 HydrophobicContact CD2-CE2 4.08Å; F277-Y280 HydrophobicContact CE1-CD2 4.3Å; F277-Y280 HydrophobicContact CE2-CD2 4.3Å; F277-Y280 HydrophobicContact CE2-CE2 4.01Å; F277-Y280 HydrophobicContact CG-CD2 4.41Å; F277-Y280 HydrophobicContact CG-CE2 4.48Å; F277-Y280 HydrophobicContact CZ-CD2 4.21Å; F277-Y280 HydrophobicContact CZ-CE2 4.34Å; F277-Y280 VanDerWaalsContact O-CD2 3.28Å; F277-Y280 WeakPolarHBondContact O-CD2 3.4Å
278	C	94.4	Very high	93.8	Very high	20 Å²	20	54.9 Å²	54.9	14%	0.135	28%	0.284	C	S	.	.	H	α-helix	trans	-63.7	-16.2	175	65.7	0	0	0	0	113.1	Q36 E276 Y280 L281 Q282	Q36-C278 VanDerWaalsContact O-CB 3.25Å; Q36-C278 WeakPolarHBondContact O-CB 3.27Å; E276-C278 VanDerWaalsContact CB-SG 3.58Å; E276-C278 PolarHBondContact O-N 3.02Å; E276-C278 VanDerWaalsContact O-N 3.17Å; E276-C278 PolarHBondContact OE2-SG 3.34Å; C278-Y280 VanDerWaalsContact C-N 3.29Å; C278-Y280 PolarHBondContact O-N 3.07Å; C278-L281 WeakPolarHBondContact O-CB 3.44Å; C278-L281 PolarHBondContact O-N 2.87Å; C278-L281 VanDerWaalsContact O-N 3.08Å; C278-Q282 WeakPolarHBondContact O-CG 3.47Å; C278-Q282 PolarHBondContact O-N 3.35Å
279	S	95.9	Very high	93.6	Very high	4 Å²	4	60.2 Å²	60.2	3%	0.028	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-29.5	-179.2	60.5	0	0	0	0	114.1	E276 F277 Y283	E276-S279 VanDerWaalsContact O-CB 3.27Å; E276-S279 WeakPolarHBondContact O-CB 3.42Å; E276-S279 PolarHBondContact O-N 3Å; E276-S279 PolarHBondContact O-OG 3.05Å; F277-S279 PolarHBondContact O-N 2.98Å; F277-S279 VanDerWaalsContact O-N 3.14Å; S279-Y283 PolarHBondContact O-N 2.82Å
280	Y	96.7	Very high	93.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-40.6	172.9	-58.3	-84	0	0	0	111.2	T233 F236 P244 N270 H271 H272 F277 C278 Y283 L284	T233-Y280 HydrophobicContact CG2-CD1 4.2Å; T233-Y280 HydrophobicContact CG2-CD2 4.24Å; T233-Y280 HydrophobicContact CG2-CE1 3.83Å; T233-Y280 HydrophobicContact CG2-CE2 3.94Å; T233-Y280 HydrophobicContact CG2-CG 4.41Å; F236-Y280 HydrophobicContact CB-CD1 4.23Å; F236-Y280 HydrophobicContact CB-CE1 4Å; F236-Y280 AromaticContact CD1-CD1 3.82Å; F236-Y280 HydrophobicContact CD1-CD1 3.82Å; F236-Y280 HydrophobicContact CD1-CE1 4.45Å; F236-Y280 AromaticContact CD2-CD1 3.81Å; F236-Y280 HydrophobicContact CD2-CD1 3.81Å; F236-Y280 HydrophobicContact CD2-CE1 4.1Å; F236-Y280 HydrophobicContact CE1-CD1 4.02Å; F236-Y280 HydrophobicContact CE2-CD1 4.04Å; F236-Y280 AromaticContact CG-CD1 3.69Å; F236-Y280 HydrophobicContact CG-CD1 3.69Å; F236-Y280 AromaticContact CG-CE1 3.95Å; F236-Y280 HydrophobicContact CG-CE1 3.95Å; F236-Y280 HydrophobicContact CZ-CD1 4.14Å; P244-Y280 HydrophobicContact CB-CD1 3.68Å; P244-Y280 HydrophobicContact CB-CE1 3.65Å; P244-Y280 HydrophobicContact CG-CD1 3.92Å; P244-Y280 HydrophobicContact CG-CE1 4.12Å; P244-Y280 HydrophobicContact CG-CG 4.28Å; N270-Y280 PolarHBondContact OD1-OH 3.16Å; H271-Y280 PolarHBondContact N-OH 3.06Å; H271-Y280 VanDerWaalsContact N-OH 3.09Å; H272-Y280 PolarHBondContact N-OH 3.04Å; H272-Y280 AromaticContact ND1-CE1 3.64Å; H272-Y280 AromaticContact ND1-CZ 3.55Å; H272-Y280 PolarHBondContact ND1-OH 3.21Å; F277-Y280 HydrophobicContact CD1-CD2 4.38Å; F277-Y280 HydrophobicContact CD2-CD2 4.39Å; F277-Y280 HydrophobicContact CD2-CE2 4.08Å; F277-Y280 HydrophobicContact CE1-CD2 4.3Å; F277-Y280 HydrophobicContact CE2-CD2 4.3Å; F277-Y280 HydrophobicContact CE2-CE2 4.01Å; F277-Y280 HydrophobicContact CG-CD2 4.41Å; F277-Y280 HydrophobicContact CG-CE2 4.48Å; F277-Y280 HydrophobicContact CZ-CD2 4.21Å; F277-Y280 HydrophobicContact CZ-CE2 4.34Å; F277-Y280 VanDerWaalsContact O-CD2 3.28Å; F277-Y280 WeakPolarHBondContact O-CD2 3.4Å; C278-Y280 VanDerWaalsContact C-N 3.29Å; C278-Y280 PolarHBondContact O-N 3.07Å; Y280-Y283 PolarHBondContact O-N 3.44Å; Y280-L284 PolarHBondContact O-N 2.89Å; Y280-L284 VanDerWaalsContact O-N 3.14Å
281	L	95	Very high	93.1	Very high	6 Å²	6	61.4 Å²	61.4	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-68.8	-45.8	176.8	177.4	62	0	0	0	111.2	S16 G37 C278 Y283 L284 E285	S16-L281 VanDerWaalsContact OG-CD1 3.22Å; S16-L281 WeakPolarHBondContact OG-CD1 3.34Å; G37-L281 WeakPolarHBondContact O-CD2 3.34Å; C278-L281 WeakPolarHBondContact O-CB 3.44Å; C278-L281 PolarHBondContact O-N 2.87Å; C278-L281 VanDerWaalsContact O-N 3.08Å; L281-Y283 PolarHBondContact O-N 3.07Å; L281-Y283 VanDerWaalsContact O-N 3.17Å; L281-L284 PolarHBondContact O-N 3.47Å; L281-E285 HydrophobicContact CD1-CG 4.3Å; L281-E285 HydrophobicContact CG-CG 4.36Å; L281-E285 WeakPolarHBondContact O-CG 3.47Å; L281-E285 PolarHBondContact O-N 3.23Å
282	Q	94.6	Very high	92.8	Very high	96 Å²	96	61 Å²	61	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-54.4	-36.4	174.8	-70	171.3	-6.4	0	0	111.6	C278 Y286	C278-Q282 WeakPolarHBondContact O-CG 3.47Å; C278-Q282 PolarHBondContact O-N 3.35Å; Q282-Y286 VanDerWaalsContact O-CB 3.29Å; Q282-Y286 WeakPolarHBondContact O-CB 3.24Å; Q282-Y286 PolarHBondContact O-N 3.31Å
283	Y	95.8	Very high	92.4	Very high	21 Å²	21	66 Å²	66	8%	0.082	34%	0.335	C	S	.	.	H	α-helix	trans	-70.5	-40.6	175.6	-177.9	-106.5	0	0	0	113	F236 V245 L246 Q251 S279 Y280 L281 Y286 L287	F236-Y283 HydrophobicContact CD1-CD1 4.27Å; F236-Y283 AromaticContact CE1-CD1 3.92Å; F236-Y283 HydrophobicContact CE1-CD1 3.92Å; V245-Y283 HydrophobicContact CB-CD2 4.47Å; V245-Y283 HydrophobicContact CB-CE2 3.85Å; V245-Y283 HydrophobicContact CG1-CD2 4.01Å; V245-Y283 HydrophobicContact CG1-CE2 3.66Å; L246-Y283 HydrophobicContact CB-CE1 3.78Å; L246-Y283 HydrophobicContact CD1-CE1 4.02Å; L246-Y283 HydrophobicContact CG-CD1 4.39Å; L246-Y283 HydrophobicContact CG-CE1 3.7Å; L246-Y283 VanDerWaalsContact N-CZ 3.32Å; L246-Y283 PolarHBondContact N-OH 3.04Å; L246-Y283 VanDerWaalsContact N-OH 3.08Å; Q251-Y283 PolarHBondContact NE2-OH 2.84Å; S279-Y283 PolarHBondContact O-N 2.82Å; Y280-Y283 PolarHBondContact O-N 3.44Å; L281-Y283 PolarHBondContact O-N 3.07Å; L281-Y283 VanDerWaalsContact O-N 3.17Å; Y283-Y286 HydrophobicContact CD2-CD1 4.07Å; Y283-Y286 AromaticContact CE2-CD1 3.99Å; Y283-Y286 HydrophobicContact CE2-CD1 3.99Å; Y283-Y286 HydrophobicContact CE2-CE1 4.36Å; Y283-Y286 WeakPolarHBondContact O-CB 3.04Å; Y283-Y286 PolarHBondContact O-N 3.38Å; Y283-L287 HydrophobicContact CD1-CD1 4.19Å; Y283-L287 HydrophobicContact CD1-CG 4.43Å; Y283-L287 HydrophobicContact CE1-CD1 3.58Å; Y283-L287 HydrophobicContact CE1-CD2 4.41Å; Y283-L287 HydrophobicContact CE1-CG 3.96Å; Y283-L287 HydrophobicContact CE2-CD2 4.36Å; Y283-L287 HydrophobicContact CE2-CG 4.4Å; Y283-L287 WeakPolarHBondContact O-CG 3.29Å; Y283-L287 PolarHBondContact O-N 3.12Å
284	L	95.5	Very high	92.3	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.016	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-39.4	173.4	-68.6	-179.1	0	0	0	112.2	L231 I254 F264 I266 Y280 L281 Y286 L287 S288	L231-L284 HydrophobicContact CD1-CD1 4.21Å; L231-L284 HydrophobicContact CD1-CD2 3.9Å; I254-L284 HydrophobicContact CG2-CD2 4.49Å; F264-L284 HydrophobicContact CB-CD1 3.71Å; F264-L284 HydrophobicContact CG-CD1 4.08Å; I266-L284 HydrophobicContact CD1-CD1 3.96Å; Y280-L284 PolarHBondContact O-N 2.89Å; Y280-L284 VanDerWaalsContact O-N 3.14Å; L281-L284 PolarHBondContact O-N 3.47Å; L284-Y286 VanDerWaalsContact C-N 3.35Å; L284-L287 PolarHBondContact O-N 3.34Å; L284-S288 PolarHBondContact O-N 3.25Å
285	E	94.4	Very high	92	Very high	56 Å²	56	59.7 Å²	59.7	26%	0.262	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-43.1	172.8	-70.4	176.4	163.8	0	0	111	L281 L287 S288 Q289	L281-E285 HydrophobicContact CD1-CG 4.3Å; L281-E285 HydrophobicContact CG-CG 4.36Å; L281-E285 WeakPolarHBondContact O-CG 3.47Å; L281-E285 PolarHBondContact O-N 3.23Å; E285-L287 PolarHBondContact O-N 3.27Å; E285-S288 PolarHBondContact O-N 3.27Å; E285-Q289 WeakPolarHBondContact O-CB 3.24Å; E285-Q289 VanDerWaalsContact O-CG 3.27Å; E285-Q289 WeakPolarHBondContact O-CG 3.36Å; E285-Q289 PolarHBondContact O-N 2.79Å
286	Y	94.7	Very high	91.6	Very high	123 Å²	123	59.6 Å²	59.6	48%	0.482	31%	0.311	S	S	.	.	H	α-helix	trans	-57.9	-46.3	172.4	167	-94.5	0	0	0	111.5	Q282 Y283 L284 Q289 N290	Q282-Y286 VanDerWaalsContact O-CB 3.29Å; Q282-Y286 WeakPolarHBondContact O-CB 3.24Å; Q282-Y286 PolarHBondContact O-N 3.31Å; Y283-Y286 HydrophobicContact CD2-CD1 4.07Å; Y283-Y286 AromaticContact CE2-CD1 3.99Å; Y283-Y286 HydrophobicContact CE2-CD1 3.99Å; Y283-Y286 HydrophobicContact CE2-CE1 4.36Å; Y283-Y286 WeakPolarHBondContact O-CB 3.04Å; Y283-Y286 PolarHBondContact O-N 3.38Å; L284-Y286 VanDerWaalsContact C-N 3.35Å; Y286-Q289 PolarHBondContact O-N 2.88Å; Y286-N290 WeakPolarHBondContact CD2-ND2 3.34Å; Y286-N290 WeakPolarHBondContact CE2-ND2 3.28Å; Y286-N290 WeakPolarHBondContact O-CB 3.39Å; Y286-N290 PolarHBondContact O-N 3.3Å; Y286-N290 PolarHBondContact O-ND2 2.93Å
287	L	94.6	Very high	91.1	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-46.2	175.8	-70.6	-178.2	0	0	0	111.3	L246 Q251 I254 F255 Y283 L284 E285 Q289 N290 R291	L246-L287 HydrophobicContact CD1-CD1 4.19Å; Q251-L287 HydrophobicContact CG-CD1 4.39Å; Q251-L287 HydrophobicContact CG-CD2 4.07Å; I254-L287 HydrophobicContact CB-CD1 4.46Å; I254-L287 HydrophobicContact CG2-CD1 4.03Å; F255-L287 HydrophobicContact CE1-CB 4.4Å; F255-L287 WeakPolarHBondContact CE1-O 3.37Å; F255-L287 HydrophobicContact CZ-CD2 4.12Å; Y283-L287 HydrophobicContact CD1-CD1 4.19Å; Y283-L287 HydrophobicContact CD1-CG 4.43Å; Y283-L287 HydrophobicContact CE1-CD1 3.58Å; Y283-L287 HydrophobicContact CE1-CD2 4.41Å; Y283-L287 HydrophobicContact CE1-CG 3.96Å; Y283-L287 HydrophobicContact CE2-CD2 4.36Å; Y283-L287 HydrophobicContact CE2-CG 4.4Å; Y283-L287 WeakPolarHBondContact O-CG 3.29Å; Y283-L287 PolarHBondContact O-N 3.12Å; L284-L287 PolarHBondContact O-N 3.34Å; E285-L287 PolarHBondContact O-N 3.27Å; L287-Q289 VanDerWaalsContact C-N 3.31Å; L287-Q289 PolarHBondContact O-N 2.86Å; L287-N290 CarbonylContact O-C 3.54Å; L287-N290 PolarHBondContact O-N 2.89Å; L287-N290 VanDerWaalsContact O-N 3.1Å; L287-R291 PolarHBondContact O-N 2.92Å
288	S	92.6	Very high	90.8	Very high	9 Å²	9	55 Å²	55	6%	0.063	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-39.3	178.4	-175.2	0	0	0	0	112.9	V14 L284 E285 N290 R291	V14-S288 WeakPolarHBondContact CG2-OG 3.24Å; L284-S288 PolarHBondContact O-N 3.25Å; E285-S288 PolarHBondContact O-N 3.27Å; S288-N290 VanDerWaalsContact C-N 3.34Å; S288-R291 WeakPolarHBondContact O-CD 3.47Å; S288-R291 VanDerWaalsContact O-CG 3.23Å; S288-R291 WeakPolarHBondContact O-CG 3.21Å
289	Q	91.8	Very high	90.4	Very high	145 Å²	145	59.3 Å²	59.3	68%	0.678	31%	0.31	S	S	*	.	H	α-helix	trans	-69.6	-29.7	175.7	-71.4	170.5	11.4	0	0	113	E285 Y286 L287	E285-Q289 WeakPolarHBondContact O-CB 3.24Å; E285-Q289 VanDerWaalsContact O-CG 3.27Å; E285-Q289 WeakPolarHBondContact O-CG 3.36Å; E285-Q289 PolarHBondContact O-N 2.79Å; Y286-Q289 PolarHBondContact O-N 2.88Å; L287-Q289 VanDerWaalsContact C-N 3.31Å; L287-Q289 PolarHBondContact O-N 2.86Å
290	N	90.1	Very high	89.9	Confident	88 Å²	88	61.6 Å²	61.6	47%	0.471	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	14.8	-178.9	-69.4	-83.7	0	0	0	113.3	Y286 L287 S288	Y286-N290 WeakPolarHBondContact CD2-ND2 3.34Å; Y286-N290 WeakPolarHBondContact CE2-ND2 3.28Å; Y286-N290 WeakPolarHBondContact O-CB 3.39Å; Y286-N290 PolarHBondContact O-N 3.3Å; Y286-N290 PolarHBondContact O-ND2 2.93Å; L287-N290 CarbonylContact O-C 3.54Å; L287-N290 PolarHBondContact O-N 2.89Å; L287-N290 VanDerWaalsContact O-N 3.1Å; S288-N290 VanDerWaalsContact C-N 3.34Å
291	R	87.5	Confident	89.5	Confident	97 Å²	97	61.7 Å²	61.7	37%	0.366	32%	0.32	S	S	.	.	S	Bend	trans	-65.5	150.5	171.2	74.7	-171.5	177.4	174.3	-4.7	109.9	F255 L287 S288	F255-R291 HydrophobicContact CD1-CB 3.88Å; F255-R291 HydrophobicContact CE1-CB 3.96Å; L287-R291 PolarHBondContact O-N 2.92Å; S288-R291 WeakPolarHBondContact O-CD 3.47Å; S288-R291 VanDerWaalsContact O-CG 3.23Å; S288-R291 WeakPolarHBondContact O-CG 3.21Å
292	P	84.7	Confident	89.2	Confident	99 Å²	99	68.3 Å²	68.3	64%	0.643	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-51.6	136.2	171.4	-24.9	34.2	0	0	0	110.5
293	P	85.1	Confident	89	Confident	113 Å²	113	66.7 Å²	66.7	73%	0.734	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-61.2	143.3	177.5	26.6	-33.8	0	0	0	109.7	N295	P293-N295 PolarHBondContact O-N 3.32Å
294	P	85.2	Confident	88.8	Confident	61 Å²	61	70.1 Å²	70.1	40%	0.396	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-62.2	138.6	177.3	27.9	-34.9	0	0	0	109.9	E298 L299	P294-E298 WeakPolarHBondContact CA-OE2 3.43Å; P294-E298 HydrophobicContact CB-CB 3.91Å; P294-L299 HydrophobicContact CB-CD2 4.15Å; P294-L299 HydrophobicContact CB-CG 4.07Å; P294-L299 HydrophobicContact CG-CD1 4.5Å; P294-L299 HydrophobicContact CG-CD2 3.58Å; P294-L299 HydrophobicContact CG-CG 3.9Å
295	N	84.5	Confident	88.8	Confident	84 Å²	84	72.8 Å²	72.8	45%	0.449	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-75.1	171.4	174.6	66.5	33.3	0	0	0	111	P293 Y297 E298 L299	P293-N295 PolarHBondContact O-N 3.32Å; N295-Y297 PolarHBondContact O-N 2.88Å; N295-Y297 WeakPolarHBondContact OD1-CB 3.39Å; N295-Y297 PolarHBondContact OD1-N 3.28Å; N295-Y297 VanDerWaalsContact OD1-N 3.15Å; N295-E298 PolarHBondContact N-OE2 2.87Å; N295-E298 PolarHBondContact O-N 2.78Å; N295-E298 VanDerWaalsContact O-N 3.15Å; N295-E298 WeakPolarHBondContact OD1-CG 3.47Å; N295-E298 PolarHBondContact OD1-N 3.24Å; N295-L299 PolarHBondContact O-N 3.03Å
296	A	82.8	Confident	88.9	Confident	52 Å²	52	70.2 Å²	70.2	43%	0.43	37%	0.371	S	S	.	.	H	α-helix	trans	-56.7	-37	-179	0	0	0	0	0	112.8	L299 F300 F577	A296-L299 PolarHBondContact O-N 3.11Å; A296-F300 WeakPolarHBondContact O-CB 3.44Å; A296-F300 PolarHBondContact O-N 3.45Å; A296-F577 HydrophobicContact CB-CD1 4.41Å
297	Y	83.9	Confident	89	Confident	30 Å²	30	71.1 Å²	71.1	12%	0.118	37%	0.374	C	S	.	.	H	α-helix	trans	-64.9	-44.4	176.4	176.8	-118.7	0	0	0	112.6	N295 F300 A301 R505 F577 F580	N295-Y297 PolarHBondContact O-N 2.88Å; N295-Y297 WeakPolarHBondContact OD1-CB 3.39Å; N295-Y297 PolarHBondContact OD1-N 3.28Å; N295-Y297 VanDerWaalsContact OD1-N 3.15Å; Y297-F300 PolarHBondContact O-N 2.87Å; Y297-A301 WeakPolarHBondContact O-CB 3.44Å; Y297-A301 PolarHBondContact O-N 3.31Å; Y297-R505 WeakPolarHBondContact OH-CD 3.17Å; Y297-R505 PolarHBondContact OH-NE 3.14Å; Y297-F577 HydrophobicContact CD2-CB 3.55Å; Y297-F577 HydrophobicContact CE2-CB 4.48Å; Y297-F577 HydrophobicContact CG-CB 4.32Å; Y297-F580 AromaticContact CE2-CD1 3.85Å; Y297-F580 HydrophobicContact CE2-CD1 3.85Å; Y297-F580 AromaticContact CE2-CE1 3.75Å; Y297-F580 HydrophobicContact CE2-CE1 3.75Å
298	E	86.4	Confident	89.1	Confident	44 Å²	44	71.9 Å²	71.9	21%	0.206	38%	0.379	C	S	.	.	H	α-helix	trans	-67.4	-37.5	177.6	-71.2	169.2	157.2	0	0	112.2	K259 P294 N295 K302	K259-E298 WeakPolarHBondContact CE-OE1 3.41Å; K259-E298 IonicContact NZ-OE1 2.77Å; K259-E298 PolarHBondContact NZ-OE1 3.35Å; P294-E298 WeakPolarHBondContact CA-OE2 3.43Å; P294-E298 HydrophobicContact CB-CB 3.91Å; N295-E298 PolarHBondContact N-OE2 2.87Å; N295-E298 PolarHBondContact O-N 2.78Å; N295-E298 VanDerWaalsContact O-N 3.15Å; N295-E298 WeakPolarHBondContact OD1-CG 3.47Å; N295-E298 PolarHBondContact OD1-N 3.24Å; E298-K302 PolarHBondContact O-N 2.82Å
299	L	86.7	Confident	89.3	Confident	112 Å²	112	74.1 Å²	74.1	59%	0.586	39%	0.388	S	S	*	.	H	α-helix	trans	-64.8	-43.2	174.4	-73.5	172.2	0	0	0	111.8	P294 N295 A296	P294-L299 HydrophobicContact CB-CD2 4.15Å; P294-L299 HydrophobicContact CB-CG 4.07Å; P294-L299 HydrophobicContact CG-CD1 4.5Å; P294-L299 HydrophobicContact CG-CD2 3.58Å; P294-L299 HydrophobicContact CG-CG 3.9Å; N295-L299 PolarHBondContact O-N 3.03Å; A296-L299 PolarHBondContact O-N 3.11Å
300	F	86.1	Confident	89.4	Confident	52 Å²	52	71.2 Å²	71.2	23%	0.228	38%	0.384	C	S	.	.	H	α-helix	trans	-68.7	-41.5	178.2	175.6	-93.3	0	0	0	112.2	A296 Y297 K302 V326 F577 F580	A296-F300 WeakPolarHBondContact O-CB 3.44Å; A296-F300 PolarHBondContact O-N 3.45Å; Y297-F300 PolarHBondContact O-N 2.87Å; F300-K302 VanDerWaalsContact C-N 3.25Å; F300-K302 PolarHBondContact O-N 3.48Å; F300-V326 HydrophobicContact CE2-CG1 3.98Å; F300-V326 HydrophobicContact CZ-CG1 3.53Å; F300-F577 HydrophobicContact CB-CB 4.26Å; F300-F577 HydrophobicContact CB-CD2 3.9Å; F300-F577 HydrophobicContact CB-CE2 4.45Å; F300-F577 HydrophobicContact CB-CG 4.14Å; F300-F577 HydrophobicContact CD1-CB 4.11Å; F300-F577 AromaticContact CD1-CD2 3.69Å; F300-F577 HydrophobicContact CD1-CD2 3.69Å; F300-F577 HydrophobicContact CD1-CG 4.29Å; F300-F577 WeakPolarHBondContact CD1-O 3.32Å; F300-F577 AromaticContact CD2-CD2 3.55Å; F300-F577 HydrophobicContact CD2-CD2 3.55Å; F300-F577 AromaticContact CD2-CE2 3.63Å; F300-F577 HydrophobicContact CD2-CE2 3.63Å; F300-F577 HydrophobicContact CE1-CD2 4.1Å; F300-F577 WeakPolarHBondContact CE1-O 3.2Å; F300-F577 AromaticContact CE2-CD2 3.97Å; F300-F577 HydrophobicContact CE2-CD2 3.97Å; F300-F577 AromaticContact CE2-CE2 4Å; F300-F577 HydrophobicContact CE2-CE2 4Å; F300-F577 HydrophobicContact CG-CB 4.28Å; F300-F577 AromaticContact CG-CD2 3.4Å; F300-F577 HydrophobicContact CG-CD2 3.4Å; F300-F577 AromaticContact CG-CE2 3.96Å; F300-F577 HydrophobicContact CG-CE2 3.96Å; F300-F577 HydrophobicContact CG-CG 4.08Å; F300-F577 HydrophobicContact CZ-CD2 4.24Å; F300-F580 HydrophobicContact CD1-CE1 4.28Å; F300-F580 HydrophobicContact CD1-CZ 4.11Å; F300-F580 HydrophobicContact CE1-CE1 4.23Å; F300-F580 AromaticContact CE1-CZ 3.86Å; F300-F580 HydrophobicContact CE1-CZ 3.86Å
301	A	87.5	Confident	89.7	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.008	36%	0.364	C	S	.	.	H	α-helix	trans	-79.3	-4.4	-175.8	0	0	0	0	0	114.3	Y297 G303 Y304 R505 F580	Y297-A301 WeakPolarHBondContact O-CB 3.44Å; Y297-A301 PolarHBondContact O-N 3.31Å; A301-G303 PolarHBondContact O-N 2.86Å; A301-Y304 WeakPolarHBondContact O-CB 3.49Å; A301-Y304 PolarHBondContact O-N 3.43Å; A301-R505 HydrophobicContact CB-CG 3.86Å; A301-F580 HydrophobicContact CB-CE1 3.77Å; A301-F580 HydrophobicContact CB-CZ 3.82Å
302	K	89.4	Confident	90	Very high	146 Å²	146	65.5 Å²	65.5	64%	0.635	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	125.4	179.5	-174.3	172.1	-176	175.3	0	110.8	E298 F300 Y304	E298-K302 PolarHBondContact O-N 2.82Å; F300-K302 VanDerWaalsContact C-N 3.25Å; F300-K302 PolarHBondContact O-N 3.48Å; K302-Y304 VanDerWaalsContact C-N 3.31Å
303	G	89.9	Confident	90.5	Very high	61 Å²	61	62.6 Å²	62.6	63%	0.629	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-10.1	-175.9	0	0	0	0	0	114.5	A301 E305	A301-G303 PolarHBondContact O-N 2.86Å; G303-E305 PolarHBondContact N-OE2 2.91Å
304	Y	92.3	Very high	90.8	Very high	93 Å²	93	58.1 Å²	58.1	37%	0.365	31%	0.309	S	S	.	.			trans	-98.2	0.3	171.2	-67.5	-84.1	0	0	0	112.7	A301 K302 D306 Y307 R505 F580	A301-Y304 WeakPolarHBondContact O-CB 3.49Å; A301-Y304 PolarHBondContact O-N 3.43Å; K302-Y304 VanDerWaalsContact C-N 3.31Å; Y304-D306 PolarHBondContact O-N 2.91Å; Y304-Y307 HydrophobicContact CD1-CD1 4.34Å; Y304-Y307 WeakPolarHBondContact O-CB 3.46Å; Y304-Y307 PolarHBondContact O-N 3.39Å; Y304-R505 WeakPolarHBondContact O-CB 3.31Å; Y304-F580 HydrophobicContact CD1-CE2 4.24Å; Y304-F580 HydrophobicContact CD2-CE2 4.46Å; Y304-F580 AromaticContact CG-CE2 3.88Å; Y304-F580 HydrophobicContact CG-CE2 3.88Å; Y304-F580 HydrophobicContact CG-CZ 4.33Å
305	E	94.9	Very high	91	Very high	59 Å²	59	56.3 Å²	56.3	28%	0.276	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-61.9	117.4	-176.9	-66.1	126.6	145	0	0	112.2	G303 Y307 R505 H507	G303-E305 PolarHBondContact N-OE2 2.91Å; E305-Y307 PolarHBondContact O-N 2.86Å; E305-Y307 VanDerWaalsContact O-N 3.16Å; E305-R505 HydrophobicContact CG-CG 4.42Å; E305-H507 HydrophobicContact CB-CB 3.75Å; E305-H507 HydrophobicContact CG-CB 4.06Å
306	D	96.5	Very high	91.4	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.016	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	19.5	-173.8	-48	-53.8	0	0	0	114.2	Y304 K479 L480 R505 H507 N508	Y304-D306 PolarHBondContact O-N 2.91Å; D306-K479 HydrophobicContact CB-CD 3.96Å; D306-K479 VanDerWaalsContact OD2-CD 3.3Å; D306-K479 WeakPolarHBondContact OD2-CD 3.36Å; D306-K479 WeakPolarHBondContact OD2-CE 3.41Å; D306-K479 IonicContact OD2-NZ 3.81Å; D306-K479 PolarHBondContact OD2-NZ 3.38Å; D306-L480 HydrophobicContact CB-CD2 3.72Å; D306-L480 HydrophobicContact CB-CG 4.48Å; D306-R505 PolarHBondContact N-O 2.78Å; D306-H507 WeakPolarHBondContact OD1-CA 3.39Å; D306-H507 PolarHBondContact OD1-N 3.02Å; D306-N508 PolarHBondContact OD1-N 3.24Å; D306-N508 WeakPolarHBondContact OD2-CB 3.36Å; D306-N508 PolarHBondContact OD2-N 3.4Å
307	Y	96.2	Very high	91.9	Very high	141 Å²	141	59.4 Å²	59.4	55%	0.553	30%	0.304	S	S	*	.			trans	-85.3	116.5	175.2	-176.3	-105.9	0	0	0	110.3	Y304 E305 Q309	Y304-Y307 HydrophobicContact CD1-CD1 4.34Å; Y304-Y307 WeakPolarHBondContact O-CB 3.46Å; Y304-Y307 PolarHBondContact O-N 3.39Å; E305-Y307 PolarHBondContact O-N 2.86Å; E305-Y307 VanDerWaalsContact O-N 3.16Å; Y307-Q309 HydrophobicContact CD1-CG 3.66Å; Y307-Q309 HydrophobicContact CE1-CG 3.78Å
308	L	97.8	Very high	92.4	Very high	20 Å²	20	61.9 Å²	61.9	11%	0.105	32%	0.319	C	S	.	.			trans	-76.8	126	-178.1	-57.6	-177.2	0	0	0	110.9	L480 E483 V484 Y502 V504 L583	L308-L480 HydrophobicContact CD2-CD2 3.94Å; L308-E483 HydrophobicContact CD1-CB 3.68Å; L308-E483 HydrophobicContact CG-CB 4Å; L308-V484 HydrophobicContact CD1-CB 4.3Å; L308-V484 HydrophobicContact CD1-CG2 3.57Å; L308-Y502 HydrophobicContact CB-CD1 3.91Å; L308-Y502 HydrophobicContact CB-CG 4.16Å; L308-Y502 HydrophobicContact CD1-CD1 4.4Å; L308-Y502 HydrophobicContact CD1-CD2 4.44Å; L308-Y502 HydrophobicContact CD1-CG 4.3Å; L308-Y502 HydrophobicContact CD2-CG 4.3Å; L308-Y502 HydrophobicContact CG-CG 4.49Å; L308-V504 HydrophobicContact CD2-CB 4.07Å; L308-V504 HydrophobicContact CD2-CG1 4.4Å; L308-V504 HydrophobicContact CD2-CG2 4.08Å; L308-L583 HydrophobicContact CD2-CD2 4.04Å
309	Q	95.6	Very high	92.7	Very high	55 Å²	55	60.8 Å²	60.8	26%	0.257	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-119.5	144.6	176.7	-63.8	167.6	94.9	0	0	109.7	Y307 Y502 V503	Y307-Q309 HydrophobicContact CD1-CG 3.66Å; Y307-Q309 HydrophobicContact CE1-CG 3.78Å; Q309-Y502 CarbonylContact O-C 3.59Å; Q309-Y502 WeakPolarHBondContact O-CA 3.47Å; Q309-V503 HydrophobicContact CB-CB 4.3Å; Q309-V503 WeakPolarHBondContact CB-O 3.48Å; Q309-V503 PolarHBondContact N-O 3.24Å; Q309-V503 PolarHBondContact O-N 2.84Å
310	S	94.9	Very high	93.1	Very high	84 Å²	84	62 Å²	62	59%	0.587	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-69.9	134.8	170.6	-65.7	0	0	0	0	109.1
311	P	95.8	Very high	93.5	Very high	8 Å²	8	63 Å²	63	5%	0.052	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-59.1	144.7	172.6	-17.8	28.6	0	0	0	110.8	P501 V503 I582	P311-P501 VanDerWaalsContact CD-O 3.32Å; P311-P501 WeakPolarHBondContact CD-O 3.31Å; P311-P501 HydrophobicContact CG-CG 4.27Å; P311-V503 HydrophobicContact CB-CG2 4.06Å; P311-V503 HydrophobicContact CG-CG2 4.14Å; P311-I582 HydrophobicContact CG-CD1 4.09Å
312	L	94.2	Very high	93.8	Very high	58 Å²	58	69.5 Å²	69.5	30%	0.304	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-71.1	147.8	179.2	-61.9	173.6	0	0	0	110.6	P314 L319 T323 F327	L312-P314 VanDerWaalsContact C-CD 3.45Å; L312-P314 WeakPolarHBondContact O-CD 3.43Å; L312-L319 HydrophobicContact CB-CD2 4.49Å; L312-L319 HydrophobicContact CD2-CD2 4.13Å; L312-T323 HydrophobicContact CD1-CG2 4.06Å; L312-F327 HydrophobicContact CD1-CE1 4.27Å; L312-F327 HydrophobicContact CD1-CE2 4.45Å; L312-F327 HydrophobicContact CD1-CZ 3.5Å; L312-F327 VanDerWaalsContact CD1-CZ 3.5Å
313	Q	94.3	Very high	93.9	Very high	37 Å²	37	64.2 Å²	64.2	17%	0.173	34%	0.341	C	S	.	.			trans	-121.9	69.2	172.8	-57.4	-161.5	34.1	0	0	109.1	L315 M316 D317 T634 I635 G636	Q313-L315 PolarHBondContact O-N 3.03Å; Q313-M316 HydrophobicContact CB-CB 4.04Å; Q313-M316 HydrophobicContact CB-CG 4.46Å; Q313-M316 PolarHBondContact O-N 2.96Å; Q313-D317 PolarHBondContact O-N 2.98Å; Q313-T634 PolarHBondContact NE2-O 2.99Å; Q313-T634 PolarHBondContact OE1-O 3.29Å; Q313-I635 HydrophobicContact CG-CG2 4.44Å; Q313-G636 VanDerWaalsContact OE1-N 3.08Å
314	P	91.1	Very high	93.9	Very high	19 Å²	19	62.5 Å²	62.5	12%	0.123	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.3	-174.2	24.6	-34.7	0	0	0	112.4	L312 D317 L319 K393 E444	L312-P314 VanDerWaalsContact C-CD 3.45Å; L312-P314 WeakPolarHBondContact O-CD 3.43Å; P314-D317 VanDerWaalsContact O-O 3.05Å; P314-L319 HydrophobicContact CB-CD1 4.21Å; P314-L319 HydrophobicContact CB-CG 4.44Å; P314-K393 WeakPolarHBondContact O-CE 3.43Å; P314-K393 PolarHBondContact O-NZ 3.38Å; P314-E444 HydrophobicContact CG-CB 4.1Å; P314-E444 HydrophobicContact CG-CG 4.22Å
315	L	91	Very high	93.9	Very high	23 Å²	23	62.2 Å²	62.2	12%	0.12	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-42.5	175.3	-163.5	60.2	0	0	0	113.2	Q313 K393 L445 L637	Q313-L315 PolarHBondContact O-N 3.03Å; L315-K393 HydrophobicContact CD1-CD 4.36Å; L315-K393 WeakPolarHBondContact O-CE 3.5Å; L315-K393 PolarHBondContact O-NZ 3.34Å; L315-L445 HydrophobicContact CB-CD1 4Å; L315-L445 HydrophobicContact CD2-CD1 3.34Å; L315-L445 HydrophobicContact CG-CD1 4.36Å; L315-L637 HydrophobicContact CD2-CD2 4.43Å; L315-L637 VanDerWaalsContact CD2-OXT 3.3Å; L315-L637 WeakPolarHBondContact CD2-OXT 3.38Å
316	M	92	Very high	93.6	Very high	108 Å²	108	61.3 Å²	61.3	53%	0.532	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-40.4	-179	-72.2	-67.1	-66.3	0	0	112.7	Q313	Q313-M316 HydrophobicContact CB-CB 4.04Å; Q313-M316 HydrophobicContact CB-CG 4.46Å; Q313-M316 PolarHBondContact O-N 2.96Å
317	D	92.8	Very high	93.2	Very high	94 Å²	94	63.3 Å²	63.3	50%	0.503	33%	0.325	S	S	.	.	S	Bend	trans	-112.4	148.9	-170	-60.2	-48.9	0	0	0	111.5	Q313 P314	Q313-D317 PolarHBondContact O-N 2.98Å; P314-D317 VanDerWaalsContact O-O 3.05Å
318	N	94.5	Very high	92.9	Very high	82 Å²	82	59.5 Å²	59.5	44%	0.439	31%	0.312	S	S	.	.			trans	-84.4	114.6	167.1	-73.3	-32.6	0	0	0	108.7	N394	N318-N394 WeakPolarHBondContact OD1-CA 3.49Å; N318-N394 PolarHBondContact OD1-OD1 2.83Å
319	L	94.2	Very high	92.5	Very high	21 Å²	21	63.5 Å²	63.5	11%	0.11	33%	0.328	C	S	.	.			trans	-66.3	148.4	178.5	-57.3	-176.6	0	0	0	111.6	L312 P314 T323 Y324 F327 N394	L312-L319 HydrophobicContact CB-CD2 4.49Å; L312-L319 HydrophobicContact CD2-CD2 4.13Å; P314-L319 HydrophobicContact CB-CD1 4.21Å; P314-L319 HydrophobicContact CB-CG 4.44Å; L319-T323 HydrophobicContact CD1-CG2 4.27Å; L319-Y324 HydrophobicContact CB-CD2 4.44Å; L319-Y324 HydrophobicContact CB-CE2 3.74Å; L319-Y324 HydrophobicContact CD1-CE1 4.49Å; L319-F327 HydrophobicContact CD1-CE2 4.09Å; L319-N394 PolarHBondContact N-ND2 2.85Å; L319-N394 PolarHBondContact O-ND2 3.01Å; L319-N394 VanDerWaalsContact O-ND2 3.17Å
320	E	95.1	Very high	92	Very high	136 Å²	136	60.9 Å²	60.9	64%	0.636	32%	0.316	S	S	*	.			trans	-74.1	151.4	176.1	-62.1	-175.2	162.9	0	0	111.6	Q322 T323 Y324	E320-Q322 PolarHBondContact O-N 2.81Å; E320-Q322 VanDerWaalsContact O-N 3.17Å; E320-T323 VanDerWaalsContact O-CB 3.31Å; E320-T323 WeakPolarHBondContact O-CB 3.39Å; E320-T323 PolarHBondContact O-N 3.09Å; E320-Y324 VanDerWaalsContact O-CD2 3.31Å; E320-Y324 WeakPolarHBondContact O-CD2 3.45Å; E320-Y324 PolarHBondContact O-N 2.87Å
321	S	94.5	Very high	91.5	Very high	75 Å²	75	60.6 Å²	60.6	52%	0.524	31%	0.312	S	S	.	.	H	α-helix	trans	-56.5	-34.2	179	-170.5	0	0	0	0	113	T323 Y324 E325 R368	S321-T323 VanDerWaalsContact C-N 3.34Å; S321-T323 PolarHBondContact O-N 2.65Å; S321-Y324 PolarHBondContact O-N 3.16Å; S321-E325 PolarHBondContact O-N 3.29Å; S321-E325 VanDerWaalsContact O-N 3.09Å; S321-R368 PolarHBondContact O-NH1 3.36Å; S321-R368 PolarHBondContact OG-NH1 3.48Å
322	Q	93	Very high	91.3	Very high	137 Å²	137	62.5 Å²	62.5	64%	0.64	32%	0.322	S	S	*	.	H	α-helix	trans	-65.8	-36.1	177.5	-172.6	175.3	23.3	0	0	112.2	E320 E325 V326	E320-Q322 PolarHBondContact O-N 2.81Å; E320-Q322 VanDerWaalsContact O-N 3.17Å; Q322-E325 WeakPolarHBondContact O-CB 3.42Å; Q322-E325 PolarHBondContact O-N 2.77Å; Q322-V326 WeakPolarHBondContact O-CG2 3.29Å; Q322-V326 PolarHBondContact O-N 3.3Å
323	T	90.5	Very high	91.2	Very high	34 Å²	34	59.8 Å²	59.8	21%	0.209	31%	0.307	C	S	.	.	H	α-helix	trans	-61.2	-45.3	176.3	-51.8	0	0	0	0	110.7	L312 L319 E320 S321 E325 V326 F327	L312-T323 HydrophobicContact CD1-CG2 4.06Å; L319-T323 HydrophobicContact CD1-CG2 4.27Å; E320-T323 VanDerWaalsContact O-CB 3.31Å; E320-T323 WeakPolarHBondContact O-CB 3.39Å; E320-T323 PolarHBondContact O-N 3.09Å; S321-T323 VanDerWaalsContact C-N 3.34Å; S321-T323 PolarHBondContact O-N 2.65Å; T323-E325 PolarHBondContact O-N 3Å; T323-V326 WeakPolarHBondContact O-CB 3.46Å; T323-V326 PolarHBondContact O-N 2.72Å; T323-F327 HydrophobicContact CG2-CE1 4.11Å; T323-F327 HydrophobicContact CG2-CE2 3.76Å; T323-F327 HydrophobicContact CG2-CZ 3.47Å; T323-F327 VanDerWaalsContact CG2-CZ 3.47Å; T323-F327 WeakPolarHBondContact O-CG 3.46Å; T323-F327 PolarHBondContact O-N 3.19Å
324	Y	91.6	Very high	91.3	Very high	26 Å²	26	59.8 Å²	59.8	10%	0.102	31%	0.306	C	S	.	.	H	α-helix	trans	-61.5	-42.4	173.8	-66.3	-77.3	0	0	0	112.2	L319 E320 S321 V326 F327 E328 R368 N394 A397	L319-Y324 HydrophobicContact CB-CD2 4.44Å; L319-Y324 HydrophobicContact CB-CE2 3.74Å; L319-Y324 HydrophobicContact CD1-CE1 4.49Å; E320-Y324 VanDerWaalsContact O-CD2 3.31Å; E320-Y324 WeakPolarHBondContact O-CD2 3.45Å; E320-Y324 PolarHBondContact O-N 2.87Å; S321-Y324 PolarHBondContact O-N 3.16Å; Y324-V326 PolarHBondContact O-N 2.8Å; Y324-F327 WeakPolarHBondContact O-CB 3.34Å; Y324-F327 PolarHBondContact O-N 2.8Å; Y324-F327 VanDerWaalsContact O-N 3.13Å; Y324-E328 WeakPolarHBondContact O-CB 3.2Å; Y324-E328 WeakPolarHBondContact O-CG 3.22Å; Y324-E328 PolarHBondContact O-N 3.5Å; Y324-R368 HydrophobicContact CD1-CG 4.33Å; Y324-R368 HydrophobicContact CD2-CG 4.31Å; Y324-R368 HydrophobicContact CG-CG 3.98Å; Y324-N394 PolarHBondContact OH-ND2 3.47Å; Y324-N394 VanDerWaalsContact OH-ND2 3.09Å; Y324-A397 HydrophobicContact CE2-CB 4.38Å
325	E	91.7	Very high	91.5	Very high	86 Å²	86	61.2 Å²	61.2	40%	0.402	32%	0.316	S	S	.	.	H	α-helix	trans	-59.9	-35.6	178	-164.4	-162.9	128.2	0	0	112.5	S321 Q322 T323 E328 K329	S321-E325 PolarHBondContact O-N 3.29Å; S321-E325 VanDerWaalsContact O-N 3.09Å; Q322-E325 WeakPolarHBondContact O-CB 3.42Å; Q322-E325 PolarHBondContact O-N 2.77Å; T323-E325 PolarHBondContact O-N 3Å; E325-E328 PolarHBondContact O-N 3Å; E325-K329 WeakPolarHBondContact O-CG 3.45Å; E325-K329 PolarHBondContact O-N 3.01Å; E325-K329 VanDerWaalsContact OE1-CE 3.3Å; E325-K329 WeakPolarHBondContact OE1-CE 3.27Å; E325-K329 IonicContact OE1-NZ 3.67Å; E325-K329 PolarHBondContact OE1-NZ 2.97Å
326	V	88.1	Confident	91.8	Very high	41 Å²	41	62.5 Å²	62.5	25%	0.248	32%	0.322	C	S	.	.	H	α-helix	trans	-65.6	-45.4	175.4	170.4	0	0	0	0	111.2	F300 Q322 T323 Y324 E328 K329	F300-V326 HydrophobicContact CE2-CG1 3.98Å; F300-V326 HydrophobicContact CZ-CG1 3.53Å; Q322-V326 WeakPolarHBondContact O-CG2 3.29Å; Q322-V326 PolarHBondContact O-N 3.3Å; T323-V326 WeakPolarHBondContact O-CB 3.46Å; T323-V326 PolarHBondContact O-N 2.72Å; Y324-V326 PolarHBondContact O-N 2.8Å; V326-E328 VanDerWaalsContact C-N 3.28Å; V326-E328 PolarHBondContact O-N 2.79Å; V326-K329 PolarHBondContact O-N 3Å
327	F	87.9	Confident	92.1	Very high	45 Å²	45	57.3 Å²	57.3	20%	0.197	30%	0.296	C	S	.	.	H	α-helix	trans	-62	-38.7	176.9	-58.8	-23.2	0	0	0	112.6	L312 L319 T323 Y324 K329 D330	L312-F327 HydrophobicContact CD1-CE1 4.27Å; L312-F327 HydrophobicContact CD1-CE2 4.45Å; L312-F327 HydrophobicContact CD1-CZ 3.5Å; L312-F327 VanDerWaalsContact CD1-CZ 3.5Å; L319-F327 HydrophobicContact CD1-CE2 4.09Å; T323-F327 HydrophobicContact CG2-CE1 4.11Å; T323-F327 HydrophobicContact CG2-CE2 3.76Å; T323-F327 HydrophobicContact CG2-CZ 3.47Å; T323-F327 VanDerWaalsContact CG2-CZ 3.47Å; T323-F327 WeakPolarHBondContact O-CG 3.46Å; T323-F327 PolarHBondContact O-N 3.19Å; Y324-F327 WeakPolarHBondContact O-CB 3.34Å; Y324-F327 PolarHBondContact O-N 2.8Å; Y324-F327 VanDerWaalsContact O-N 3.13Å; F327-K329 VanDerWaalsContact C-N 3.26Å; F327-K329 PolarHBondContact O-N 2.83Å; F327-D330 PolarHBondContact O-N 2.89Å
328	E	91.2	Very high	92.3	Very high	60 Å²	60	54.5 Å²	54.5	28%	0.28	28%	0.28	S	S	.	.	H	α-helix	trans	-70.3	-20.6	-177.2	-76.7	170.7	-151.8	0	0	114.1	Y324 E325 V326 D330 R368 P370	Y324-E328 WeakPolarHBondContact O-CB 3.2Å; Y324-E328 WeakPolarHBondContact O-CG 3.22Å; Y324-E328 PolarHBondContact O-N 3.5Å; E325-E328 PolarHBondContact O-N 3Å; V326-E328 VanDerWaalsContact C-N 3.28Å; V326-E328 PolarHBondContact O-N 2.79Å; E328-D330 PolarHBondContact O-N 2.85Å; E328-R368 WeakPolarHBondContact OE1-CB 3.33Å; E328-R368 IonicContact OE1-CZ 3.56Å; E328-R368 IonicContact OE1-NE 2.83Å; E328-R368 PolarHBondContact OE1-NE 3.1Å; E328-R368 IonicContact OE1-NH2 3.45Å; E328-R368 PolarHBondContact OE1-NH2 3.14Å; E328-R368 IonicContact OE2-CZ 2.75Å; E328-R368 IonicContact OE2-NE 2.68Å; E328-R368 IonicContact OE2-NH2 3.41Å; E328-R368 PolarHBondContact OE2-NH2 2.88Å; E328-P370 HydrophobicContact CG-CB 4.47Å; E328-P370 HydrophobicContact CG-CG 3.43Å; E328-P370 VanDerWaalsContact CG-CG 3.43Å
329	K	87.6	Confident	92.5	Very high	104 Å²	104	53.8 Å²	53.8	45%	0.452	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-19.5	175.6	-78.2	167.5	-175.4	163	0	112.7	E325 V326 F327 P331 F577	E325-K329 WeakPolarHBondContact O-CG 3.45Å; E325-K329 PolarHBondContact O-N 3.01Å; E325-K329 VanDerWaalsContact OE1-CE 3.3Å; E325-K329 WeakPolarHBondContact OE1-CE 3.27Å; E325-K329 IonicContact OE1-NZ 3.67Å; E325-K329 PolarHBondContact OE1-NZ 2.97Å; V326-K329 PolarHBondContact O-N 3Å; F327-K329 VanDerWaalsContact C-N 3.26Å; F327-K329 PolarHBondContact O-N 2.83Å; K329-P331 WeakPolarHBondContact O-CD 3.23Å; K329-F577 HydrophobicContact CB-CE2 3.95Å; K329-F577 HydrophobicContact CB-CZ 4.11Å; K329-F577 WeakPolarHBondContact O-CZ 3.42Å
330	D	86.7	Confident	92.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.269	C	S	.	.			trans	-82.6	99.2	179.9	-167	-34.2	0	0	0	111.3	F327 E328 I332 K333 Y334 M576 F577 S578	F327-D330 PolarHBondContact O-N 2.89Å; E328-D330 PolarHBondContact O-N 2.85Å; D330-I332 VanDerWaalsContact C-N 3.32Å; D330-I332 PolarHBondContact O-N 3.2Å; D330-I332 PolarHBondContact OD1-N 3.04Å; D330-K333 HydrophobicContact CB-CB 4.35Å; D330-K333 PolarHBondContact OD1-N 3.12Å; D330-Y334 WeakPolarHBondContact O-CD2 3.49Å; D330-M576 WeakPolarHBondContact OD2-CG 3.4Å; D330-F577 HydrophobicContact CB-CE2 4.36Å; D330-F577 HydrophobicContact CB-CZ 4.49Å; D330-F577 PolarHBondContact OD2-N 2.95Å; D330-S578 WeakPolarHBondContact CB-OG 3.34Å; D330-S578 WeakPolarHBondContact OD2-CB 3.46Å; D330-S578 PolarHBondContact OD2-N 3.46Å; D330-S578 PolarHBondContact OD2-OG 3.14Å
331	P	83.4	Confident	92.9	Very high	79 Å²	79	46.3 Å²	46.3	51%	0.513	24%	0.238	S	C	.	.	H	α-helix	trans	-75.7	-26.3	-174.4	33.6	-34.4	0	0	0	111.7	K329 S335	K329-P331 WeakPolarHBondContact O-CD 3.23Å; P331-S335 VanDerWaalsContact O-CB 3.3Å; P331-S335 WeakPolarHBondContact O-CB 3.18Å; P331-S335 PolarHBondContact O-N 3.16Å; P331-S335 PolarHBondContact O-OG 2.85Å
332	I	91.1	Very high	93.1	Very high	48 Å²	48	45.8 Å²	45.8	25%	0.246	23%	0.226	C	C	.	.	H	α-helix	trans	-68.6	-44.1	-174.2	-61.3	-59.2	0	0	0	109.4	D330 Y334 S335 Q336 P574 M576	D330-I332 VanDerWaalsContact C-N 3.32Å; D330-I332 PolarHBondContact O-N 3.2Å; D330-I332 PolarHBondContact OD1-N 3.04Å; I332-Y334 PolarHBondContact O-N 3.12Å; I332-S335 WeakPolarHBondContact CA-OG 3.42Å; I332-S335 PolarHBondContact O-N 2.83Å; I332-S335 PolarHBondContact O-OG 3.33Å; I332-Q336 HydrophobicContact CG2-CG 4.26Å; I332-Q336 WeakPolarHBondContact O-CG 3.47Å; I332-Q336 PolarHBondContact O-N 3.05Å; I332-P574 WeakPolarHBondContact CG1-O 3.5Å; I332-M576 HydrophobicContact CB-CB 4.47Å; I332-M576 HydrophobicContact CG2-CB 4.45Å
333	K	93.6	Very high	93.4	Very high	1 Å²	1	42 Å²	42	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-46	-62.9	172.8	179.4	168.4	79.3	169.4	0	112.5	D330 S335 Q336 Y337 E435 W579	D330-K333 HydrophobicContact CB-CB 4.35Å; D330-K333 PolarHBondContact OD1-N 3.12Å; K333-S335 VanDerWaalsContact C-N 3.33Å; K333-S335 PolarHBondContact O-N 2.83Å; K333-Q336 PolarHBondContact O-N 3.46Å; K333-Y337 HydrophobicContact CG-CD2 4.33Å; K333-Y337 HydrophobicContact CG-CE2 4.37Å; K333-Y337 WeakPolarHBondContact O-CD2 3.34Å; K333-Y337 PolarHBondContact O-N 3.39Å; K333-Y337 VanDerWaalsContact O-N 3.16Å; K333-E435 HydrophobicContact CD-CG 4.15Å; K333-E435 WeakPolarHBondContact CD-OE2 3.37Å; K333-E435 WeakPolarHBondContact CE-OE2 3.3Å; K333-E435 IonicContact NZ-OE2 2.63Å; K333-E435 PolarHBondContact NZ-OE2 2.83Å; K333-W579 HydrophobicContact CB-CH2 4.29Å; K333-W579 HydrophobicContact CB-CZ3 4.06Å; K333-W579 HydrophobicContact CD-CE3 4.43Å; K333-W579 HydrophobicContact CD-CH2 3.01Å; K333-W579 HydrophobicContact CD-CZ2 3.68Å; K333-W579 HydrophobicContact CD-CZ3 3.43Å; K333-W579 VanDerWaalsContact CD-CZ3 3.43Å; K333-W579 HydrophobicContact CG-CH2 3.57Å; K333-W579 HydrophobicContact CG-CZ3 3.85Å
334	Y	94.9	Very high	93.8	Very high	37 Å²	37	40.4 Å²	40.4	15%	0.145	20%	0.197	C	C	.	.	H	α-helix	trans	-69.7	-29.6	-175.4	-59.8	-71.6	0	0	0	113.2	D330 I332 Q338 P370 L371	D330-Y334 WeakPolarHBondContact O-CD2 3.49Å; I332-Y334 PolarHBondContact O-N 3.12Å; Y334-Q338 WeakPolarHBondContact O-CB 3.14Å; Y334-Q338 PolarHBondContact O-N 3.22Å; Y334-P370 HydrophobicContact CD1-CB 3.79Å; Y334-P370 HydrophobicContact CD2-CB 4.39Å; Y334-P370 HydrophobicContact CE1-CB 3.52Å; Y334-P370 HydrophobicContact CE1-CG 4.27Å; Y334-P370 HydrophobicContact CE2-CB 4.16Å; Y334-P370 HydrophobicContact CG-CB 4.21Å; Y334-L371 HydrophobicContact CE1-CB 4.47Å
335	S	95.7	Very high	94.1	Very high	49 Å²	49	39.1 Å²	39.1	34%	0.343	19%	0.192	S	C	.	.	H	α-helix	trans	-64.4	-40.9	173.9	73.2	0	0	0	0	112.3	P331 I332 K333 Q338 Q339	P331-S335 VanDerWaalsContact O-CB 3.3Å; P331-S335 WeakPolarHBondContact O-CB 3.18Å; P331-S335 PolarHBondContact O-N 3.16Å; P331-S335 PolarHBondContact O-OG 2.85Å; I332-S335 WeakPolarHBondContact CA-OG 3.42Å; I332-S335 PolarHBondContact O-N 2.83Å; I332-S335 PolarHBondContact O-OG 3.33Å; K333-S335 VanDerWaalsContact C-N 3.33Å; K333-S335 PolarHBondContact O-N 2.83Å; S335-Q338 WeakPolarHBondContact O-CB 3.45Å; S335-Q338 PolarHBondContact O-N 3.45Å; S335-Q339 WeakPolarHBondContact O-CG 3.31Å; S335-Q339 PolarHBondContact O-N 2.94Å
336	Q	97.2	Very high	94.4	Very high	49 Å²	49	38.1 Å²	38.1	23%	0.229	19%	0.189	C	C	.	.	H	α-helix	trans	-69.4	-41.7	177.9	-68.8	-68.3	86.2	0	0	111.3	I332 K333 Q338 Q339 A340 L559 I563 T564 L565	I332-Q336 HydrophobicContact CG2-CG 4.26Å; I332-Q336 WeakPolarHBondContact O-CG 3.47Å; I332-Q336 PolarHBondContact O-N 3.05Å; K333-Q336 PolarHBondContact O-N 3.46Å; Q336-Q338 VanDerWaalsContact C-N 3.34Å; Q336-Q338 PolarHBondContact O-N 2.95Å; Q336-Q339 PolarHBondContact O-N 3.41Å; Q336-A340 WeakPolarHBondContact O-CB 3.15Å; Q336-A340 PolarHBondContact O-N 3.3Å; Q336-L559 HydrophobicContact CB-CD1 3.84Å; Q336-I563 HydrophobicContact CB-CG2 4.19Å; Q336-I563 WeakPolarHBondContact O-CG2 3.34Å; Q336-T564 PolarHBondContact NE2-O 2.89Å; Q336-L565 HydrophobicContact CB-CD1 4.47Å; Q336-L565 HydrophobicContact CB-CD2 3.83Å; Q336-L565 HydrophobicContact CB-CG 4.09Å; Q336-L565 HydrophobicContact CG-CD2 3.69Å; Q336-L565 HydrophobicContact CG-CG 4.39Å
337	Y	98	Very high	94.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-43.4	170.6	-85.9	-85.7	0	0	0	112	K333 Q339 A340 I341 L371 V433 S434 E435 I464 L559 L565	K333-Y337 HydrophobicContact CG-CD2 4.33Å; K333-Y337 HydrophobicContact CG-CE2 4.37Å; K333-Y337 WeakPolarHBondContact O-CD2 3.34Å; K333-Y337 PolarHBondContact O-N 3.39Å; K333-Y337 VanDerWaalsContact O-N 3.16Å; Y337-Q339 PolarHBondContact O-N 3.02Å; Y337-A340 PolarHBondContact O-N 3.5Å; Y337-I341 WeakPolarHBondContact O-CD1 3.39Å; Y337-I341 WeakPolarHBondContact O-CG1 3.06Å; Y337-I341 PolarHBondContact O-N 2.8Å; Y337-L371 HydrophobicContact CD1-CD1 3.74Å; Y337-L371 HydrophobicContact CD2-CD1 4.34Å; Y337-L371 HydrophobicContact CG-CD1 3.61Å; Y337-V433 HydrophobicContact CD1-CG1 3.82Å; Y337-V433 HydrophobicContact CE1-CG1 4.17Å; Y337-S434 PolarHBondContact OH-O 3.17Å; Y337-E435 HydrophobicContact CE1-CB 4.46Å; Y337-E435 HydrophobicContact CE2-CB 4.15Å; Y337-E435 HydrophobicContact CE2-CG 3.58Å; Y337-E435 WeakPolarHBondContact OH-CG 3.4Å; Y337-I464 HydrophobicContact CD1-CG2 3.84Å; Y337-I464 HydrophobicContact CE1-CG2 3.94Å; Y337-L559 HydrophobicContact CD1-CD1 4.24Å; Y337-L559 HydrophobicContact CD1-CD2 4.42Å; Y337-L559 HydrophobicContact CD2-CD1 3.89Å; Y337-L559 HydrophobicContact CE1-CD1 4.47Å; Y337-L559 HydrophobicContact CE1-CD2 3.86Å; Y337-L559 HydrophobicContact CE2-CD1 4.12Å; Y337-L559 HydrophobicContact CE2-CD2 3.95Å; Y337-L559 HydrophobicContact CG-CD1 3.94Å; Y337-L565 HydrophobicContact CD2-CD1 4.19Å; Y337-L565 HydrophobicContact CE2-CD1 3.83Å
338	Q	98.5	Very high	95.3	Very high	34 Å²	34	40.1 Å²	40.1	16%	0.159	20%	0.198	C	C	.	.	H	α-helix	trans	-58.4	-45.5	174.9	-176	-179.7	-49.4	0	0	111.6	Y334 S335 Q336 I341 Y342 A374 R377 A378	Y334-Q338 WeakPolarHBondContact O-CB 3.14Å; Y334-Q338 PolarHBondContact O-N 3.22Å; S335-Q338 WeakPolarHBondContact O-CB 3.45Å; S335-Q338 PolarHBondContact O-N 3.45Å; Q336-Q338 VanDerWaalsContact C-N 3.34Å; Q336-Q338 PolarHBondContact O-N 2.95Å; Q338-I341 PolarHBondContact O-N 3.13Å; Q338-Y342 VanDerWaalsContact O-CB 3.26Å; Q338-Y342 WeakPolarHBondContact O-CB 3.35Å; Q338-Y342 PolarHBondContact O-N 3.08Å; Q338-A374 HydrophobicContact CB-CB 4.11Å; Q338-A374 WeakPolarHBondContact CG-O 3.44Å; Q338-R377 HydrophobicContact CG-CB 4.41Å; Q338-A378 HydrophobicContact CG-CB 3.89Å; Q338-A378 WeakPolarHBondContact O-CB 3.24Å
339	Q	98.4	Very high	95.6	Very high	67 Å²	67	37.3 Å²	37.3	31%	0.313	18%	0.184	S	C	.	.	H	α-helix	trans	-65.1	-40.7	178	-69	-54	-42.1	0	0	112.5	S335 Q336 Y337 Y342 K343 I563	S335-Q339 WeakPolarHBondContact O-CG 3.31Å; S335-Q339 PolarHBondContact O-N 2.94Å; Q336-Q339 PolarHBondContact O-N 3.41Å; Y337-Q339 PolarHBondContact O-N 3.02Å; Q339-Y342 PolarHBondContact O-N 3.38Å; Q339-K343 WeakPolarHBondContact O-CB 3.36Å; Q339-K343 PolarHBondContact O-N 2.84Å; Q339-I563 HydrophobicContact CB-CD1 4.21Å; Q339-I563 HydrophobicContact CB-CG2 4.47Å
340	A	98.7	Very high	96	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-46.8	176.2	0	0	0	0	0	111.4	Q336 Y337 K343 C344 I464 L559 I563	Q336-A340 WeakPolarHBondContact O-CB 3.15Å; Q336-A340 PolarHBondContact O-N 3.3Å; Y337-A340 PolarHBondContact O-N 3.5Å; A340-K343 PolarHBondContact O-N 2.71Å; A340-C344 VanDerWaalsContact O-CB 3.27Å; A340-C344 WeakPolarHBondContact O-CB 3.5Å; A340-C344 PolarHBondContact O-N 3.23Å; A340-I464 HydrophobicContact CB-CD1 4.31Å; A340-I464 HydrophobicContact CB-CG2 4.1Å; A340-L559 HydrophobicContact CB-CB 3.63Å; A340-L559 HydrophobicContact CB-CD1 4.32Å; A340-I563 HydrophobicContact CB-CB 4.22Å; A340-I563 HydrophobicContact CB-CG2 4.03Å
341	I	98.7	Very high	96.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66	-42.5	177.8	-62	159.1	0	0	0	110.8	Y337 Q338 K343 C344 L345 L361 S375 A378 V433 I464	Y337-I341 WeakPolarHBondContact O-CD1 3.39Å; Y337-I341 WeakPolarHBondContact O-CG1 3.06Å; Y337-I341 PolarHBondContact O-N 2.8Å; Q338-I341 PolarHBondContact O-N 3.13Å; I341-K343 PolarHBondContact O-N 3.4Å; I341-C344 PolarHBondContact O-N 2.94Å; I341-L345 HydrophobicContact CG2-CD1 3.93Å; I341-L345 HydrophobicContact CG2-CG 4.31Å; I341-L345 WeakPolarHBondContact O-CB 3.22Å; I341-L345 VanDerWaalsContact O-CG 3.31Å; I341-L345 WeakPolarHBondContact O-CG 3.45Å; I341-L345 PolarHBondContact O-N 3.28Å; I341-L361 HydrophobicContact CG2-CD1 3.82Å; I341-S375 WeakPolarHBondContact CD1-OG 3.47Å; I341-A378 HydrophobicContact CB-CB 3.78Å; I341-A378 HydrophobicContact CG2-CB 3.63Å; I341-V433 HydrophobicContact CD1-CG1 4.08Å; I341-V433 HydrophobicContact CD1-CG2 4.04Å; I341-V433 HydrophobicContact CG1-CG2 4Å; I341-I464 HydrophobicContact CG1-CD1 3.86Å
342	Y	98.8	Very high	97.1	Very high	65 Å²	65	43.2 Å²	43.2	26%	0.255	21%	0.211	S	C	.	.	H	α-helix	trans	-57.6	-49.9	177.8	165.5	-104.3	0	0	0	111.1	Q338 Q339 L345 L346 Q381 A382	Q338-Y342 VanDerWaalsContact O-CB 3.26Å; Q338-Y342 WeakPolarHBondContact O-CB 3.35Å; Q338-Y342 PolarHBondContact O-N 3.08Å; Q339-Y342 PolarHBondContact O-N 3.38Å; Y342-L345 PolarHBondContact O-N 3.19Å; Y342-L346 HydrophobicContact CD1-CD1 4.45Å; Y342-L346 HydrophobicContact CE1-CD1 3.78Å; Y342-L346 HydrophobicContact CE2-CD1 3.94Å; Y342-L346 HydrophobicContact CE2-CG 4.3Å; Y342-L346 VanDerWaalsContact CZ-CD1 3.49Å; Y342-L346 PolarHBondContact O-N 3.29Å; Y342-L346 VanDerWaalsContact O-N 3.16Å; Y342-Q381 HydrophobicContact CD2-CB 3.9Å; Y342-Q381 HydrophobicContact CD2-CG 3.75Å; Y342-Q381 HydrophobicContact CE2-CB 4.16Å; Y342-Q381 HydrophobicContact CE2-CG 3.66Å; Y342-A382 HydrophobicContact CD2-CB 3.69Å; Y342-A382 HydrophobicContact CE2-CB 3.97Å
343	K	98.6	Very high	97.3	Very high	57 Å²	57	44.6 Å²	44.6	25%	0.248	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-44.2	178.6	-164.2	-179	-165.5	-170.1	0	111.6	Q339 A340 I341 L345 L346 D347 Y560 D562	Q339-K343 WeakPolarHBondContact O-CB 3.36Å; Q339-K343 PolarHBondContact O-N 2.84Å; A340-K343 PolarHBondContact O-N 2.71Å; I341-K343 PolarHBondContact O-N 3.4Å; K343-L345 VanDerWaalsContact C-N 3.33Å; K343-L345 PolarHBondContact O-N 3.45Å; K343-L346 PolarHBondContact O-N 3.29Å; K343-D347 PolarHBondContact O-N 2.86Å; K343-Y560 HydrophobicContact CB-CD1 4.08Å; K343-Y560 HydrophobicContact CB-CE1 4.29Å; K343-Y560 HydrophobicContact CD-CD1 4.22Å; K343-Y560 HydrophobicContact CD-CE1 4.39Å; K343-Y560 HydrophobicContact CG-CD1 4.24Å; K343-Y560 HydrophobicContact CG-CE1 4.15Å; K343-D562 IonicContact NZ-OD1 2.81Å; K343-D562 PolarHBondContact NZ-OD1 3.48Å; K343-D562 IonicContact NZ-OD2 3.73Å
344	C	98.6	Very high	97.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.6	-42.9	176.7	-175.7	0	0	0	0	112.2	A340 I341 D347 R348 I464 Y560	A340-C344 VanDerWaalsContact O-CB 3.27Å; A340-C344 WeakPolarHBondContact O-CB 3.5Å; A340-C344 PolarHBondContact O-N 3.23Å; I341-C344 PolarHBondContact O-N 2.94Å; C344-D347 PolarHBondContact O-N 3.27Å; C344-R348 WeakPolarHBondContact O-CB 3.39Å; C344-R348 VanDerWaalsContact O-CG 3.26Å; C344-R348 WeakPolarHBondContact O-CG 3.44Å; C344-R348 PolarHBondContact O-N 3.06Å; C344-I464 HydrophobicContact CB-CD1 4.15Å; C344-Y560 HydrophobicContact CB-CD1 4.05Å; C344-Y560 HydrophobicContact CB-CD2 4.16Å; C344-Y560 HydrophobicContact CB-CE1 3.89Å; C344-Y560 HydrophobicContact CB-CE2 4.02Å; C344-Y560 HydrophobicContact CB-CG 4.18Å
345	L	98.6	Very high	97.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-37.9	177.9	-73.4	171.4	0	0	0	112.9	I341 Y342 K343 V349 Q359 A379 A382 R384 I386 I431	I341-L345 HydrophobicContact CG2-CD1 3.93Å; I341-L345 HydrophobicContact CG2-CG 4.31Å; I341-L345 WeakPolarHBondContact O-CB 3.22Å; I341-L345 VanDerWaalsContact O-CG 3.31Å; I341-L345 WeakPolarHBondContact O-CG 3.45Å; I341-L345 PolarHBondContact O-N 3.28Å; Y342-L345 PolarHBondContact O-N 3.19Å; K343-L345 VanDerWaalsContact C-N 3.33Å; K343-L345 PolarHBondContact O-N 3.45Å; L345-V349 PolarHBondContact O-N 3.44Å; L345-Q359 HydrophobicContact CD2-CB 4.12Å; L345-Q359 HydrophobicContact CD2-CG 4.11Å; L345-A379 HydrophobicContact CD1-CB 3.84Å; L345-A382 HydrophobicContact CB-CB 4.11Å; L345-R384 HydrophobicContact CB-CB 4.41Å; L345-R384 HydrophobicContact CB-CG 4.31Å; L345-I386 HydrophobicContact CD1-CG2 4.13Å; L345-I386 HydrophobicContact CD2-CG2 3.76Å; L345-I431 HydrophobicContact CD2-CD1 3.67Å; L345-I431 HydrophobicContact CG-CD1 4.16Å
346	L	98.1	Very high	97.3	Very high	64 Å²	64	52.6 Å²	52.6	34%	0.335	26%	0.26	S	S	.	.	H	α-helix	trans	-65.2	-40.8	175	-70.6	-178.8	0	0	0	112.3	Y342 K343 A382	Y342-L346 HydrophobicContact CD1-CD1 4.45Å; Y342-L346 HydrophobicContact CE1-CD1 3.78Å; Y342-L346 HydrophobicContact CE2-CD1 3.94Å; Y342-L346 HydrophobicContact CE2-CG 4.3Å; Y342-L346 VanDerWaalsContact CZ-CD1 3.49Å; Y342-L346 PolarHBondContact O-N 3.29Å; Y342-L346 VanDerWaalsContact O-N 3.16Å; K343-L346 PolarHBondContact O-N 3.29Å; L346-A382 HydrophobicContact CD2-CB 4.08Å; L346-A382 HydrophobicContact CG-CB 4.33Å
347	D	97.8	Very high	97.3	Very high	88 Å²	88	52 Å²	52	47%	0.471	26%	0.258	S	S	.	.	H	α-helix	trans	-73.1	-32.4	-179.7	-69.5	-17.6	0	0	0	112.2	K343 C344 Y560 Q561	K343-D347 PolarHBondContact O-N 2.86Å; C344-D347 PolarHBondContact O-N 3.27Å; D347-Y560 PolarHBondContact OD2-OH 2.81Å; D347-Q561 PolarHBondContact OD2-NE2 2.84Å
348	R	96.9	Very high	97.2	Very high	41 Å²	41	55.2 Å²	55.2	16%	0.155	28%	0.278	C	S	.	.	H	α-helix	trans	-83.1	-31.7	-179.4	-71.9	-173.2	67.4	71.9	4.1	114.1	C344 D430 D460	C344-R348 WeakPolarHBondContact O-CB 3.39Å; C344-R348 VanDerWaalsContact O-CG 3.26Å; C344-R348 WeakPolarHBondContact O-CG 3.44Å; C344-R348 PolarHBondContact O-N 3.06Å; R348-D430 IonicContact NH2-OD1 2.75Å; R348-D430 PolarHBondContact NH2-OD1 3.49Å; R348-D460 IonicContact CZ-OD2 2.62Å; R348-D460 PolarHBondContact NH1-O 3.33Å; R348-D460 IonicContact NH1-OD2 3.05Å; R348-D460 IonicContact NH2-OD2 2.72Å; R348-D460 PolarHBondContact NH2-OD2 2.89Å
349	V	97.9	Very high	97.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-121.6	100	-174.7	-172	0	0	0	0	110.3	L345 E353 N357 Q359 R384	L345-V349 PolarHBondContact O-N 3.44Å; V349-E353 HydrophobicContact CG1-CB 4.12Å; V349-N357 HydrophobicContact CG1-CB 3.92Å; V349-Q359 HydrophobicContact CG2-CG 3.33Å; V349-R384 HydrophobicContact CB-CG 4.22Å; V349-R384 PolarHBondContact O-NE 2.97Å; V349-R384 PolarHBondContact O-NH2 3.07Å
350	P	96.1	Very high	97.2	Very high	48 Å²	48	51 Å²	51	31%	0.312	26%	0.258	S	S	.	.			trans	-54	153.4	172.5	-24.9	34.7	0	0	0	112.3	E352 E353 K354	P350-E352 HydrophobicContact CB-CG 3.97Å; P350-E352 WeakPolarHBondContact CB-OE1 3.44Å; P350-E352 VanDerWaalsContact CB-OE2 3.31Å; P350-E352 WeakPolarHBondContact CB-OE2 3.2Å; P350-E352 PolarHBondContact O-N 3.48Å; P350-E353 PolarHBondContact O-N 3.17Å; P350-K354 PolarHBondContact O-N 2.83Å
351	E	95.4	Very high	97.2	Very high	102 Å²	102	51 Å²	51	48%	0.477	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-59.6	-34.7	-176.3	-175.2	65	-158.5	0	0	112.3	E353 K354 R384	E351-E353 PolarHBondContact O-N 2.74Å; E351-K354 WeakPolarHBondContact O-CG 3.48Å; E351-K354 PolarHBondContact O-N 3Å; E351-K354 VanDerWaalsContact OE1-CD 3.3Å; E351-K354 WeakPolarHBondContact OE1-CD 3.35Å; E351-K354 WeakPolarHBondContact OE1-CE 3.33Å; E351-K354 IonicContact OE1-NZ 3.44Å; E351-K354 PolarHBondContact OE1-NZ 2.9Å; E351-R384 IonicContact OE2-CZ 3.97Å; E351-R384 VanDerWaalsContact OE2-CZ 3.27Å; E351-R384 IonicContact OE2-NH1 3.49Å; E351-R384 PolarHBondContact OE2-NH1 2.87Å; E351-R384 IonicContact OE2-NH2 2.63Å; E351-R384 PolarHBondContact OE2-NH2 3.3Å
352	E	96.7	Very high	97.2	Very high	157 Å²	157	51 Å²	51	73%	0.734	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-64.6	-21.3	176.1	57.9	-93.7	-141.2	0	0	114.2	P350	P350-E352 HydrophobicContact CB-CG 3.97Å; P350-E352 WeakPolarHBondContact CB-OE1 3.44Å; P350-E352 VanDerWaalsContact CB-OE2 3.31Å; P350-E352 WeakPolarHBondContact CB-OE2 3.2Å; P350-E352 PolarHBondContact O-N 3.48Å
353	E	96.1	Very high	97.2	Very high	77 Å²	77	47.9 Å²	47.9	36%	0.36	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-105.7	-1.9	-176.6	-73.5	-175.9	-163.7	0	0	113.3	V349 P350 E351 D355 T356 N357	V349-E353 HydrophobicContact CG1-CB 4.12Å; P350-E353 PolarHBondContact O-N 3.17Å; E351-E353 PolarHBondContact O-N 2.74Å; E353-D355 PolarHBondContact O-N 3.48Å; E353-T356 PolarHBondContact O-N 3.36Å; E353-T356 PolarHBondContact O-OG1 2.99Å; E353-N357 HydrophobicContact CB-CB 3.84Å; E353-N357 WeakPolarHBondContact O-CB 3.5Å; E353-N357 PolarHBondContact O-N 2.94Å; E353-N357 PolarHBondContact OE2-ND2 3.05Å
354	K	95	Very high	97.1	Very high	46 Å²	46	45.2 Å²	45.2	20%	0.2	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-28.3	-172.7	73.8	-178.4	-175.4	173.5	0	114.8	P350 E351 D383	P350-K354 PolarHBondContact O-N 2.83Å; E351-K354 WeakPolarHBondContact O-CG 3.48Å; E351-K354 PolarHBondContact O-N 3Å; E351-K354 VanDerWaalsContact OE1-CD 3.3Å; E351-K354 WeakPolarHBondContact OE1-CD 3.35Å; E351-K354 WeakPolarHBondContact OE1-CE 3.33Å; E351-K354 IonicContact OE1-NZ 3.44Å; E351-K354 PolarHBondContact OE1-NZ 2.9Å; K354-D383 IonicContact NZ-OD2 3.82Å; K354-D383 PolarHBondContact NZ-OD2 3.39Å
355	D	93.7	Very high	97	Very high	96 Å²	96	46 Å²	46	51%	0.513	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-8.3	-178.4	-79.6	-50.1	0	0	0	114.8	E353 R385	E353-D355 PolarHBondContact O-N 3.48Å; D355-R385 VanDerWaalsContact C-CZ 3.48Å; D355-R385 VanDerWaalsContact CB-NH2 3.32Å; D355-R385 PolarHBondContact O-NH1 3.2Å; D355-R385 PolarHBondContact O-NH2 3.23Å; D355-R385 IonicContact OD1-CZ 2.66Å; D355-R385 IonicContact OD1-NE 3.56Å; D355-R385 IonicContact OD1-NH2 3.27Å; D355-R385 PolarHBondContact OD1-NH2 3.45Å
356	T	96.1	Very high	96.9	Very high	113 Å²	113	46.3 Å²	46.3	69%	0.693	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.9	-32.8	-176.1	52.5	0	0	0	0	112	E353 V358	E353-T356 PolarHBondContact O-N 3.36Å; E353-T356 PolarHBondContact O-OG1 2.99Å; T356-V358 PolarHBondContact O-N 3.08Å
357	N	96.2	Very high	96.8	Very high	38 Å²	38	43.6 Å²	43.6	20%	0.203	23%	0.233	C	C	.	.			trans	-91.3	99.6	-177.8	-173.3	-15.4	0	0	0	110.5	V349 E353 Q359	V349-N357 HydrophobicContact CG1-CB 3.92Å; E353-N357 HydrophobicContact CB-CB 3.84Å; E353-N357 WeakPolarHBondContact O-CB 3.5Å; E353-N357 PolarHBondContact O-N 2.94Å; E353-N357 PolarHBondContact OE2-ND2 3.05Å; N357-Q359 PolarHBondContact OD1-NE2 2.94Å
358	V	97.2	Very high	96.8	Very high	67 Å²	67	41.2 Å²	41.2	41%	0.406	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-92.1	117.4	173.9	-177.3	0	0	0	0	108.7	T356 R385 K387	T356-V358 PolarHBondContact O-N 3.08Å; V358-R385 HydrophobicContact CB-CB 4.43Å; V358-R385 HydrophobicContact CG1-CB 4.38Å; V358-R385 HydrophobicContact CG2-CB 3.95Å; V358-K387 HydrophobicContact CG1-CB 4.15Å
359	Q	97.7	Very high	96.8	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.019	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	132	178.8	-65.8	-72	-74.6	0	0	110.8	L345 V349 N357 R385 I386 K387 D430	L345-Q359 HydrophobicContact CD2-CB 4.12Å; L345-Q359 HydrophobicContact CD2-CG 4.11Å; V349-Q359 HydrophobicContact CG2-CG 3.33Å; N357-Q359 PolarHBondContact OD1-NE2 2.94Å; Q359-R385 PolarHBondContact N-O 2.83Å; Q359-I386 HydrophobicContact CB-CG2 4.19Å; Q359-I386 CarbonylContact O-C 3.58Å; Q359-I386 WeakPolarHBondContact O-CA 3.32Å; Q359-K387 PolarHBondContact O-N 2.88Å; Q359-D430 HydrophobicContact CB-CB 4.33Å
360	V	98.3	Very high	96.8	Very high	8 Å²	8	40.7 Å²	40.7	5%	0.048	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	116.1	173.2	-179.1	0	0	0	0	109	M362 K387 Y389 E427 D430 I431	V360-M362 HydrophobicContact CG1-CE 4.21Å; V360-K387 WeakPolarHBondContact CA-O 3.23Å; V360-Y389 HydrophobicContact CG1-CD2 4.06Å; V360-Y389 HydrophobicContact CG1-CE2 3.88Å; V360-E427 HydrophobicContact CG1-CG 4.11Å; V360-E427 HydrophobicContact CG2-CG 4.16Å; V360-E427 WeakPolarHBondContact CG2-OE2 3.14Å; V360-D430 PolarHBondContact N-OD2 2.8Å; V360-D430 PolarHBondContact O-N 3.27Å; V360-I431 PolarHBondContact O-N 3.3Å; V360-I431 VanDerWaalsContact O-N 3.15Å
361	L	98.6	Very high	96.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.6	179.6	-170.7	153.9	0	0	0	110.2	I341 V363 K387 L388 Y389 I431 V433	I341-L361 HydrophobicContact CG2-CD1 3.82Å; L361-V363 HydrophobicContact CD2-CG2 3.61Å; L361-K387 PolarHBondContact N-O 2.83Å; L361-L388 HydrophobicContact CD2-CD1 3.9Å; L361-L388 HydrophobicContact CD2-CG 4.04Å; L361-L388 CarbonylContact O-C 3.56Å; L361-L388 VanDerWaalsContact O-CA 3.26Å; L361-L388 WeakPolarHBondContact O-CA 3.35Å; L361-Y389 PolarHBondContact O-N 3.43Å; L361-I431 CarbonylContact C-O 3.53Å; L361-I431 WeakPolarHBondContact CA-O 3.28Å; L361-I431 HydrophobicContact CD1-CB 4.33Å; L361-I431 HydrophobicContact CD1-CD1 4.44Å; L361-I431 HydrophobicContact CD1-CG2 4.29Å; L361-I431 HydrophobicContact CG-CB 4.17Å; L361-I431 HydrophobicContact CG-CG2 4.35Å; L361-V433 HydrophobicContact CD1-CG2 4.19Å; L361-V433 HydrophobicContact CD2-CG2 3.99Å; L361-V433 HydrophobicContact CG-CG2 4.13Å
362	M	98.4	Very high	96.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119	176.6	-61.6	-175.9	-177.7	0	0	110.1	V360 L364 Y389 W423 A425 E427 A429 I431 I432 V433 F456	V360-M362 HydrophobicContact CG1-CE 4.21Å; M362-L364 HydrophobicContact CB-CD2 4.12Å; M362-Y389 HydrophobicContact CE-CD2 4.28Å; M362-Y389 HydrophobicContact CG-CD2 4.21Å; M362-W423 HydrophobicContact CE-CH2 4.04Å; M362-W423 HydrophobicContact CE-CZ3 4.2Å; M362-W423 HydrophobicContact SD-CH2 4.05Å; M362-W423 HydrophobicContact SD-CZ3 3.67Å; M362-A425 HydrophobicContact CE-CB 3.66Å; M362-A425 HydrophobicContact SD-CB 4.41Å; M362-E427 VanDerWaalsContact CE-O 3.24Å; M362-E427 WeakPolarHBondContact CE-O 3.47Å; M362-A429 HydrophobicContact CB-CB 4.39Å; M362-A429 HydrophobicContact CE-CB 3.9Å; M362-A429 HydrophobicContact CG-CB 3.76Å; M362-A429 HydrophobicContact SD-CB 3.75Å; M362-I431 PolarHBondContact N-O 3.34Å; M362-I432 HydrophobicContact CB-CG1 4.38Å; M362-I432 WeakPolarHBondContact O-CA 3.24Å; M362-V433 PolarHBondContact O-N 3.49Å; M362-F456 HydrophobicContact CE-CB 4.33Å; M362-F456 HydrophobicContact SD-CB 3.97Å; M362-F456 HydrophobicContact SD-CG 4.48Å
363	V	98.4	Very high	97	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	110.6	170	-178.2	0	0	0	0	108.1	L361 A366 L371 V372 L388 Y389 V391 V433	L361-V363 HydrophobicContact CD2-CG2 3.61Å; V363-A366 HydrophobicContact CG1-CB 4.02Å; V363-L371 HydrophobicContact CG1-CB 4.1Å; V363-L371 HydrophobicContact CG1-CD2 4Å; V363-L371 HydrophobicContact CG1-CG 4.06Å; V363-V372 HydrophobicContact CB-CG2 4.18Å; V363-V372 HydrophobicContact CG1-CG2 4.21Å; V363-V372 HydrophobicContact CG2-CG2 4.16Å; V363-L388 HydrophobicContact CG2-CD1 4.25Å; V363-L388 HydrophobicContact CG2-CD2 4.26Å; V363-L388 HydrophobicContact CG2-CG 4.41Å; V363-Y389 PolarHBondContact N-O 3.25Å; V363-V391 PolarHBondContact O-N 2.85Å; V363-V433 CarbonylContact C-O 3.53Å; V363-V433 VanDerWaalsContact CA-O 3.3Å; V363-V433 WeakPolarHBondContact CA-O 3.44Å
364	L	97.1	Very high	97.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	118.6	-177.7	-54.5	-175.9	0	0	0	110.4	M362 V391 M420 I432 V433 S434 L450 A453	M362-L364 HydrophobicContact CB-CD2 4.12Å; L364-V391 HydrophobicContact CD2-CB 4Å; L364-V391 HydrophobicContact CD2-CG2 3.78Å; L364-M420 HydrophobicContact CB-CE 3.84Å; L364-M420 HydrophobicContact CB-SD 3.7Å; L364-M420 HydrophobicContact CD1-SD 4.06Å; L364-M420 HydrophobicContact CD2-CB 4.18Å; L364-M420 HydrophobicContact CG-SD 4.41Å; L364-I432 HydrophobicContact CD1-CD1 4.36Å; L364-I432 HydrophobicContact CD1-CG1 4.48Å; L364-I432 HydrophobicContact CD1-CG2 3.54Å; L364-I432 HydrophobicContact CG-CG2 4Å; L364-V433 PolarHBondContact N-O 2.95Å; L364-S434 WeakPolarHBondContact O-CB 3.45Å; L364-S434 PolarHBondContact O-OG 2.75Å; L364-L450 HydrophobicContact CD1-CD2 4.47Å; L364-A453 HydrophobicContact CD1-CB 3.35Å
365	G	96.4	Very high	97.2	Very high	18 Å²	18	22.2 Å²	22.2	19%	0.186	13%	0.131	C	C	.	.	S	Bend	trans	78.5	56.2	-166.9	0	0	0	0	0	110.5	G367 V391	G365-G367 PolarHBondContact O-N 2.85Å; G365-V391 WeakPolarHBondContact CA-O 3.47Å; G365-V391 PolarHBondContact N-O 2.97Å
366	A	97.2	Very high	97.5	Very high	5 Å²	5	18.7 Å²	18.7	4%	0.041	11%	0.112	C	C	.	.			trans	-67.8	-18.5	-173.3	0	0	0	0	0	114.2	V363 R368 G369 V372 A390 V391 E392 L401	V363-A366 HydrophobicContact CG1-CB 4.02Å; A366-R368 PolarHBondContact O-N 3.04Å; A366-G369 PolarHBondContact O-N 2.93Å; A366-V372 HydrophobicContact CB-CG2 4.09Å; A366-A390 HydrophobicContact CB-CB 3.94Å; A366-V391 PolarHBondContact N-O 2.81Å; A366-E392 HydrophobicContact CB-CB 4.36Å; A366-E392 PolarHBondContact N-OE2 3.42Å; A366-L401 HydrophobicContact CB-CD1 3.88Å; A366-L401 HydrophobicContact CB-CD2 4.37Å
367	G	96.4	Very high	97.6	Very high	7 Å²	7	20.7 Å²	20.7	7%	0.072	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-127.1	-176.7	0	0	0	0	0	110.8	G365 E392 L401	G365-G367 PolarHBondContact O-N 2.85Å; G367-E392 VanDerWaalsContact CA-OE2 3.28Å; G367-E392 WeakPolarHBondContact CA-OE2 3.31Å; G367-E392 PolarHBondContact N-OE2 3.21Å; G367-L401 WeakPolarHBondContact O-CD1 3.48Å; G367-L401 WeakPolarHBondContact O-CG 3.27Å
368	R	96.8	Very high	97.7	Very high	38 Å²	38	18.9 Å²	18.9	14%	0.143	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	8.9	176.3	-54.6	-166.9	-58.7	-176.2	6.3	114.3	S321 Y324 E328 A366 T400	S321-R368 PolarHBondContact O-NH1 3.36Å; S321-R368 PolarHBondContact OG-NH1 3.48Å; Y324-R368 HydrophobicContact CD1-CG 4.33Å; Y324-R368 HydrophobicContact CD2-CG 4.31Å; Y324-R368 HydrophobicContact CG-CG 3.98Å; E328-R368 WeakPolarHBondContact OE1-CB 3.33Å; E328-R368 IonicContact OE1-CZ 3.56Å; E328-R368 IonicContact OE1-NE 2.83Å; E328-R368 PolarHBondContact OE1-NE 3.1Å; E328-R368 IonicContact OE1-NH2 3.45Å; E328-R368 PolarHBondContact OE1-NH2 3.14Å; E328-R368 IonicContact OE2-CZ 2.75Å; E328-R368 IonicContact OE2-NE 2.68Å; E328-R368 IonicContact OE2-NH2 3.41Å; E328-R368 PolarHBondContact OE2-NH2 2.88Å; A366-R368 PolarHBondContact O-N 3.04Å; R368-T400 HydrophobicContact CB-CG2 4.01Å
369	G	97.2	Very high	97.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	96.9	3	174.3	0	0	0	0	0	120.4	A366 L371 V372 N373	A366-G369 PolarHBondContact O-N 2.93Å; G369-L371 VanDerWaalsContact C-N 3.27Å; G369-L371 PolarHBondContact O-N 3.5Å; G369-V372 WeakPolarHBondContact O-CB 3.5Å; G369-V372 PolarHBondContact O-N 3.17Å; G369-V372 VanDerWaalsContact O-N 3.12Å; G369-N373 PolarHBondContact O-N 3.48Å; G369-N373 PolarHBondContact O-ND2 2.99Å
370	P	96.9	Very high	97.7	Very high	31 Å²	31	24.3 Å²	24.3	20%	0.201	12%	0.116	C	C	.	.	H	α-helix	trans	-57.6	-37.3	176.7	-20.4	24.9	0	0	0	114	E328 Y334 N373 A374	E328-P370 HydrophobicContact CG-CB 4.47Å; E328-P370 HydrophobicContact CG-CG 3.43Å; E328-P370 VanDerWaalsContact CG-CG 3.43Å; Y334-P370 HydrophobicContact CD1-CB 3.79Å; Y334-P370 HydrophobicContact CD2-CB 4.39Å; Y334-P370 HydrophobicContact CE1-CB 3.52Å; Y334-P370 HydrophobicContact CE1-CG 4.27Å; Y334-P370 HydrophobicContact CE2-CB 4.16Å; Y334-P370 HydrophobicContact CG-CB 4.21Å; P370-N373 WeakPolarHBondContact O-CB 3.39Å; P370-N373 PolarHBondContact O-N 3.09Å; P370-A374 WeakPolarHBondContact O-CB 3.43Å; P370-A374 PolarHBondContact O-N 3.44Å
371	L	97	Very high	97.7	Very high	7 Å²	7	28 Å²	28	4%	0.037	13%	0.133	C	C	.	.	H	α-helix	trans	-73.5	-30.9	178	-165.8	56.2	0	0	0	112.1	Y334 Y337 V363 G369 A374 S375 V433 E435	Y334-L371 HydrophobicContact CE1-CB 4.47Å; Y337-L371 HydrophobicContact CD1-CD1 3.74Å; Y337-L371 HydrophobicContact CD2-CD1 4.34Å; Y337-L371 HydrophobicContact CG-CD1 3.61Å; V363-L371 HydrophobicContact CG1-CB 4.1Å; V363-L371 HydrophobicContact CG1-CD2 4Å; V363-L371 HydrophobicContact CG1-CG 4.06Å; G369-L371 VanDerWaalsContact C-N 3.27Å; G369-L371 PolarHBondContact O-N 3.5Å; L371-A374 HydrophobicContact CD1-CB 4.48Å; L371-A374 PolarHBondContact O-N 3.37Å; L371-S375 WeakPolarHBondContact O-CB 3.38Å; L371-S375 PolarHBondContact O-N 3.02Å; L371-S375 PolarHBondContact O-OG 3.14Å; L371-V433 HydrophobicContact CD1-CG1 4.03Å; L371-V433 HydrophobicContact CD2-CG1 3.85Å; L371-V433 HydrophobicContact CG-CG1 3.97Å; L371-E435 HydrophobicContact CD2-CB 3.92Å
372	V	98.4	Very high	97.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.9	-49.7	168.2	176.3	0	0	0	0	109.9	V363 A366 G369 A374 S375 L376 L388 A390 W409 V413	V363-V372 HydrophobicContact CB-CG2 4.18Å; V363-V372 HydrophobicContact CG1-CG2 4.21Å; V363-V372 HydrophobicContact CG2-CG2 4.16Å; A366-V372 HydrophobicContact CB-CG2 4.09Å; G369-V372 WeakPolarHBondContact O-CB 3.5Å; G369-V372 PolarHBondContact O-N 3.17Å; G369-V372 VanDerWaalsContact O-N 3.12Å; V372-A374 VanDerWaalsContact C-N 3.35Å; V372-A374 PolarHBondContact O-N 3.01Å; V372-S375 WeakPolarHBondContact O-CB 2.92Å; V372-S375 PolarHBondContact O-N 3.23Å; V372-S375 VanDerWaalsContact O-N 3.14Å; V372-L376 HydrophobicContact CG1-CD1 4.21Å; V372-L376 WeakPolarHBondContact O-CG 3.49Å; V372-L376 PolarHBondContact O-N 3.26Å; V372-L388 HydrophobicContact CB-CD2 4.46Å; V372-L388 HydrophobicContact CG1-CD1 4.08Å; V372-L388 HydrophobicContact CG1-CD2 3.74Å; V372-L388 HydrophobicContact CG2-CD2 4.17Å; V372-A390 HydrophobicContact CG2-CB 3.69Å; V372-W409 HydrophobicContact CB-CH2 3.97Å; V372-W409 HydrophobicContact CB-CZ2 3.94Å; V372-W409 HydrophobicContact CG1-CD2 4.12Å; V372-W409 HydrophobicContact CG1-CE3 4.22Å; V372-W409 HydrophobicContact CG1-CH2 3.76Å; V372-W409 HydrophobicContact CG1-CZ2 3.61Å; V372-W409 HydrophobicContact CG1-CZ3 4.06Å; V372-W409 HydrophobicContact CG2-CH2 4.39Å; V372-V413 HydrophobicContact CG1-CG1 4.22Å; V372-V413 HydrophobicContact CG1-CG2 3.98Å
373	N	97.6	Very high	97.7	Very high	31 Å²	31	32.7 Å²	32.7	17%	0.166	16%	0.158	C	C	.	.	H	α-helix	trans	-60.5	-41.4	176.4	-77.3	-37.3	0	0	0	112.6	G369 P370 S375 L376 R377 W409	G369-N373 PolarHBondContact O-N 3.48Å; G369-N373 PolarHBondContact O-ND2 2.99Å; P370-N373 WeakPolarHBondContact O-CB 3.39Å; P370-N373 PolarHBondContact O-N 3.09Å; N373-S375 VanDerWaalsContact C-N 3.34Å; N373-L376 PolarHBondContact O-N 3.47Å; N373-R377 WeakPolarHBondContact O-CB 3.28Å; N373-R377 VanDerWaalsContact O-CG 3.28Å; N373-R377 WeakPolarHBondContact O-CG 3.45Å; N373-R377 PolarHBondContact O-N 2.98Å; N373-W409 PolarHBondContact OD1-NE1 2.95Å
374	A	97.8	Very high	97.6	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.025	16%	0.162	C	C	.	.	H	α-helix	trans	-60.7	-43.3	173.9	0	0	0	0	0	111.5	Q338 P370 L371 V372 R377 A378	Q338-A374 HydrophobicContact CB-CB 4.11Å; Q338-A374 WeakPolarHBondContact CG-O 3.44Å; P370-A374 WeakPolarHBondContact O-CB 3.43Å; P370-A374 PolarHBondContact O-N 3.44Å; L371-A374 HydrophobicContact CD1-CB 4.48Å; L371-A374 PolarHBondContact O-N 3.37Å; V372-A374 VanDerWaalsContact C-N 3.35Å; V372-A374 PolarHBondContact O-N 3.01Å; A374-R377 PolarHBondContact O-N 3.49Å; A374-A378 WeakPolarHBondContact O-CB 3.15Å; A374-A378 PolarHBondContact O-N 3.17Å
375	S	98.6	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-45.1	177.6	-55.6	0	0	0	0	112.3	I341 L371 V372 N373 A378 A379	I341-S375 WeakPolarHBondContact CD1-OG 3.47Å; L371-S375 WeakPolarHBondContact O-CB 3.38Å; L371-S375 PolarHBondContact O-N 3.02Å; L371-S375 PolarHBondContact O-OG 3.14Å; V372-S375 WeakPolarHBondContact O-CB 2.92Å; V372-S375 PolarHBondContact O-N 3.23Å; V372-S375 VanDerWaalsContact O-N 3.14Å; N373-S375 VanDerWaalsContact C-N 3.34Å; S375-A378 WeakPolarHBondContact O-CB 3.4Å; S375-A378 PolarHBondContact O-N 2.98Å; S375-A379 PolarHBondContact O-N 3.36Å
376	L	98.5	Very high	97.7	Very high	23 Å²	23	38.7 Å²	38.7	12%	0.12	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-41.8	176.7	-66.9	172.2	0	0	0	111.9	V372 N373 A379 K380 I386 L388 W409 Q412 V413	V372-L376 HydrophobicContact CG1-CD1 4.21Å; V372-L376 WeakPolarHBondContact O-CG 3.49Å; V372-L376 PolarHBondContact O-N 3.26Å; N373-L376 PolarHBondContact O-N 3.47Å; L376-A379 PolarHBondContact O-N 2.78Å; L376-K380 WeakPolarHBondContact O-CB 3.4Å; L376-K380 PolarHBondContact O-N 2.93Å; L376-I386 HydrophobicContact CD2-CD1 4.18Å; L376-L388 HydrophobicContact CD2-CD1 4.34Å; L376-L388 HydrophobicContact CG-CD1 4.36Å; L376-W409 HydrophobicContact CD1-CD2 4.49Å; L376-W409 HydrophobicContact CD1-CG 3.95Å; L376-Q412 VanDerWaalsContact CD2-CD 3.45Å; L376-Q412 HydrophobicContact CD2-CG 3.96Å; L376-Q412 VanDerWaalsContact CD2-NE2 3.34Å; L376-V413 HydrophobicContact CD1-CG2 4.01Å; L376-V413 HydrophobicContact CD2-CG2 4.12Å; L376-V413 HydrophobicContact CG-CG2 4.47Å
377	R	98.3	Very high	97.8	Very high	155 Å²	155	42.2 Å²	42.2	59%	0.585	19%	0.191	S	C	*	.	H	α-helix	trans	-65.5	-41.4	175.8	-73.1	174.7	-170.2	165.5	4.2	112	Q338 N373 A374 K380 Q381	Q338-R377 HydrophobicContact CG-CB 4.41Å; N373-R377 WeakPolarHBondContact O-CB 3.28Å; N373-R377 VanDerWaalsContact O-CG 3.28Å; N373-R377 WeakPolarHBondContact O-CG 3.45Å; N373-R377 PolarHBondContact O-N 2.98Å; A374-R377 PolarHBondContact O-N 3.49Å; R377-K380 PolarHBondContact O-N 3.2Å; R377-Q381 VanDerWaalsContact O-CB 3.26Å; R377-Q381 WeakPolarHBondContact O-CB 3.16Å; R377-Q381 PolarHBondContact O-N 3.09Å
378	A	98.6	Very high	97.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-46.8	175.2	0	0	0	0	0	111.4	Q338 I341 A374 S375 Q381 A382	Q338-A378 HydrophobicContact CG-CB 3.89Å; Q338-A378 WeakPolarHBondContact O-CB 3.24Å; I341-A378 HydrophobicContact CB-CB 3.78Å; I341-A378 HydrophobicContact CG2-CB 3.63Å; A374-A378 WeakPolarHBondContact O-CB 3.15Å; A374-A378 PolarHBondContact O-N 3.17Å; S375-A378 WeakPolarHBondContact O-CB 3.4Å; S375-A378 PolarHBondContact O-N 2.98Å; A378-Q381 PolarHBondContact O-N 3.48Å; A378-A382 WeakPolarHBondContact O-CB 2.99Å; A378-A382 PolarHBondContact O-N 3Å
379	A	98.3	Very high	97.9	Very high	3 Å²	3	40.6 Å²	40.6	3%	0.025	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-43.2	177.5	0	0	0	0	0	112.8	L345 S375 L376 Q381 A382 D383 R384 I386	L345-A379 HydrophobicContact CD1-CB 3.84Å; S375-A379 PolarHBondContact O-N 3.36Å; L376-A379 PolarHBondContact O-N 2.78Å; A379-Q381 VanDerWaalsContact C-N 3.34Å; A379-Q381 PolarHBondContact O-N 3.05Å; A379-A382 PolarHBondContact O-N 3.03Å; A379-D383 PolarHBondContact O-N 2.75Å; A379-R384 PolarHBondContact O-N 3.09Å; A379-I386 HydrophobicContact CB-CB 4.36Å; A379-I386 HydrophobicContact CB-CD1 3.59Å; A379-I386 HydrophobicContact CB-CG1 3.57Å; A379-I386 HydrophobicContact CB-CG2 3.89Å
380	K	97.8	Very high	98	Very high	181 Å²	181	40.6 Å²	40.6	79%	0.787	18%	0.182	S	C	*	.	H	α-helix	trans	-62.4	-41	173.9	-175.3	176.9	-178.5	175.8	0	112.1	L376 R377 D383	L376-K380 WeakPolarHBondContact O-CB 3.4Å; L376-K380 PolarHBondContact O-N 2.93Å; R377-K380 PolarHBondContact O-N 3.2Å; K380-D383 PolarHBondContact O-N 3.21Å
381	Q	98.1	Very high	98	Very high	86 Å²	86	39.1 Å²	39.1	40%	0.402	17%	0.173	S	C	.	.	H	α-helix	trans	-67.6	-36.6	177.8	-172.9	-172.2	-28.7	0	0	111.6	Y342 R377 A378 A379 D383	Y342-Q381 HydrophobicContact CD2-CB 3.9Å; Y342-Q381 HydrophobicContact CD2-CG 3.75Å; Y342-Q381 HydrophobicContact CE2-CB 4.16Å; Y342-Q381 HydrophobicContact CE2-CG 3.66Å; R377-Q381 VanDerWaalsContact O-CB 3.26Å; R377-Q381 WeakPolarHBondContact O-CB 3.16Å; R377-Q381 PolarHBondContact O-N 3.09Å; A378-Q381 PolarHBondContact O-N 3.48Å; A379-Q381 VanDerWaalsContact C-N 3.34Å; A379-Q381 PolarHBondContact O-N 3.05Å; Q381-D383 VanDerWaalsContact C-N 3.27Å
382	A	97.8	Very high	98.1	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.033	17%	0.174	C	C	.	.	H	α-helix	trans	-77.4	-10.1	176.7	0	0	0	0	0	113.5	Y342 L345 L346 A378 A379 R384	Y342-A382 HydrophobicContact CD2-CB 3.69Å; Y342-A382 HydrophobicContact CE2-CB 3.97Å; L345-A382 HydrophobicContact CB-CB 4.11Å; L346-A382 HydrophobicContact CD2-CB 4.08Å; L346-A382 HydrophobicContact CG-CB 4.33Å; A378-A382 WeakPolarHBondContact O-CB 2.99Å; A378-A382 PolarHBondContact O-N 3Å; A379-A382 PolarHBondContact O-N 3.03Å; A382-R384 HydrophobicContact CB-CB 4.29Å; A382-R384 HydrophobicContact CB-CG 3.88Å; A382-R384 WeakPolarHBondContact O-CG 3.4Å; A382-R384 PolarHBondContact O-N 2.77Å; A382-R384 PolarHBondContact O-NH1 3.28Å
383	D	97.8	Very high	98	Very high	94 Å²	94	42 Å²	42	50%	0.503	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	45.8	-168.9	-166.1	37.4	0	0	0	111.4	K354 A379 K380 Q381	K354-D383 IonicContact NZ-OD2 3.82Å; K354-D383 PolarHBondContact NZ-OD2 3.39Å; A379-D383 PolarHBondContact O-N 2.75Å; K380-D383 PolarHBondContact O-N 3.21Å; Q381-D383 VanDerWaalsContact C-N 3.27Å
384	R	98.1	Very high	98	Very high	19 Å²	19	40.7 Å²	40.7	7%	0.072	18%	0.178	C	C	.	.			trans	-123.9	142	179.2	-60	-53.8	178	-104.1	1.1	111.3	L345 V349 E351 A379 A382	L345-R384 HydrophobicContact CB-CB 4.41Å; L345-R384 HydrophobicContact CB-CG 4.31Å; V349-R384 HydrophobicContact CB-CG 4.22Å; V349-R384 PolarHBondContact O-NE 2.97Å; V349-R384 PolarHBondContact O-NH2 3.07Å; E351-R384 IonicContact OE2-CZ 3.97Å; E351-R384 VanDerWaalsContact OE2-CZ 3.27Å; E351-R384 IonicContact OE2-NH1 3.49Å; E351-R384 PolarHBondContact OE2-NH1 2.87Å; E351-R384 IonicContact OE2-NH2 2.63Å; E351-R384 PolarHBondContact OE2-NH2 3.3Å; A379-R384 PolarHBondContact O-N 3.09Å; A382-R384 HydrophobicContact CB-CB 4.29Å; A382-R384 HydrophobicContact CB-CG 3.88Å; A382-R384 WeakPolarHBondContact O-CG 3.4Å; A382-R384 PolarHBondContact O-N 2.77Å; A382-R384 PolarHBondContact O-NH1 3.28Å
385	R	97.6	Very high	98	Very high	116 Å²	116	43.7 Å²	43.7	44%	0.438	20%	0.198	S	C	.	.			trans	-83.1	131.4	179.7	-61.2	-172.8	-161.7	171.5	7.4	110.9	D355 V358 Q359	D355-R385 VanDerWaalsContact C-CZ 3.48Å; D355-R385 VanDerWaalsContact CB-NH2 3.32Å; D355-R385 PolarHBondContact O-NH1 3.2Å; D355-R385 PolarHBondContact O-NH2 3.23Å; D355-R385 IonicContact OD1-CZ 2.66Å; D355-R385 IonicContact OD1-NE 3.56Å; D355-R385 IonicContact OD1-NH2 3.27Å; D355-R385 PolarHBondContact OD1-NH2 3.45Å; V358-R385 HydrophobicContact CB-CB 4.43Å; V358-R385 HydrophobicContact CG1-CB 4.38Å; V358-R385 HydrophobicContact CG2-CB 3.95Å; Q359-R385 PolarHBondContact N-O 2.83Å
386	I	97.8	Very high	98	Very high	10 Å²	10	49 Å²	49	5%	0.051	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.2	173.2	60.9	163.9	0	0	0	111.2	L345 Q359 L376 A379 L388	L345-I386 HydrophobicContact CD1-CG2 4.13Å; L345-I386 HydrophobicContact CD2-CG2 3.76Å; Q359-I386 HydrophobicContact CB-CG2 4.19Å; Q359-I386 CarbonylContact O-C 3.58Å; Q359-I386 WeakPolarHBondContact O-CA 3.32Å; L376-I386 HydrophobicContact CD2-CD1 4.18Å; A379-I386 HydrophobicContact CB-CB 4.36Å; A379-I386 HydrophobicContact CB-CD1 3.59Å; A379-I386 HydrophobicContact CB-CG1 3.57Å; A379-I386 HydrophobicContact CB-CG2 3.89Å; I386-L388 HydrophobicContact CD1-CD1 4.17Å
387	K	97.7	Very high	97.9	Very high	79 Å²	79	48 Å²	48	34%	0.343	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.3	162.1	-179.5	-179.6	-179.7	-175	0	107.6	V358 Q359 V360 L361 Y389 E427	V358-K387 HydrophobicContact CG1-CB 4.15Å; Q359-K387 PolarHBondContact O-N 2.88Å; V360-K387 WeakPolarHBondContact CA-O 3.23Å; L361-K387 PolarHBondContact N-O 2.83Å; K387-Y389 HydrophobicContact CD-CE2 4.38Å; K387-Y389 VanDerWaalsContact CE-OH 3.23Å; K387-Y389 WeakPolarHBondContact CE-OH 3.15Å; K387-Y389 HydrophobicContact CG-CE2 4.42Å; K387-Y389 PolarHBondContact NZ-OH 2.74Å; K387-Y389 VanDerWaalsContact NZ-OH 3.09Å; K387-E427 WeakPolarHBondContact CD-OE1 3.42Å; K387-E427 VanDerWaalsContact CE-OE1 3.24Å; K387-E427 WeakPolarHBondContact CE-OE1 3.44Å; K387-E427 IonicContact NZ-OE1 2.79Å; K387-E427 PolarHBondContact NZ-OE1 2.66Å
388	L	98.6	Very high	97.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.3	-169.6	-167.7	153.1	0	0	0	112.2	L361 V363 V372 L376 I386 A390 Q412 V413 T414	L361-L388 HydrophobicContact CD2-CD1 3.9Å; L361-L388 HydrophobicContact CD2-CG 4.04Å; L361-L388 CarbonylContact O-C 3.56Å; L361-L388 VanDerWaalsContact O-CA 3.26Å; L361-L388 WeakPolarHBondContact O-CA 3.35Å; V363-L388 HydrophobicContact CG2-CD1 4.25Å; V363-L388 HydrophobicContact CG2-CD2 4.26Å; V363-L388 HydrophobicContact CG2-CG 4.41Å; V372-L388 HydrophobicContact CB-CD2 4.46Å; V372-L388 HydrophobicContact CG1-CD1 4.08Å; V372-L388 HydrophobicContact CG1-CD2 3.74Å; V372-L388 HydrophobicContact CG2-CD2 4.17Å; L376-L388 HydrophobicContact CD2-CD1 4.34Å; L376-L388 HydrophobicContact CG-CD1 4.36Å; I386-L388 HydrophobicContact CD1-CD1 4.17Å; L388-A390 HydrophobicContact CD2-CB 4.12Å; L388-Q412 PolarHBondContact N-O 2.94Å; L388-Q412 VanDerWaalsContact N-O 3.13Å; L388-V413 HydrophobicContact CB-CG2 4.19Å; L388-V413 HydrophobicContact CD2-CB 4.42Å; L388-V413 HydrophobicContact CD2-CG1 3.78Å; L388-V413 HydrophobicContact CD2-CG2 4.06Å; L388-V413 CarbonylContact O-C 3.56Å; L388-V413 WeakPolarHBondContact O-CA 3.37Å; L388-T414 PolarHBondContact O-N 2.91Å
389	Y	98.5	Very high	97.9	Very high	11 Å²	11	44.6 Å²	44.6	4%	0.043	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.3	166.4	-65.1	-93.4	0	0	0	110	V360 L361 M362 V363 K387 T414 V416 W423 P426 E427	V360-Y389 HydrophobicContact CG1-CD2 4.06Å; V360-Y389 HydrophobicContact CG1-CE2 3.88Å; L361-Y389 PolarHBondContact O-N 3.43Å; M362-Y389 HydrophobicContact CE-CD2 4.28Å; M362-Y389 HydrophobicContact CG-CD2 4.21Å; V363-Y389 PolarHBondContact N-O 3.25Å; K387-Y389 HydrophobicContact CD-CE2 4.38Å; K387-Y389 VanDerWaalsContact CE-OH 3.23Å; K387-Y389 WeakPolarHBondContact CE-OH 3.15Å; K387-Y389 HydrophobicContact CG-CE2 4.42Å; K387-Y389 PolarHBondContact NZ-OH 2.74Å; K387-Y389 VanDerWaalsContact NZ-OH 3.09Å; Y389-T414 CarbonylContact C-O 3.59Å; Y389-T414 WeakPolarHBondContact CA-O 3.12Å; Y389-T414 HydrophobicContact CD1-CG2 3.9Å; Y389-T414 HydrophobicContact CE1-CG2 3.93Å; Y389-V416 HydrophobicContact CD1-CG2 4.11Å; Y389-W423 AromaticContact CD1-CH2 3.78Å; Y389-W423 HydrophobicContact CD1-CH2 3.78Å; Y389-W423 AromaticContact CD1-CZ2 3.9Å; Y389-W423 HydrophobicContact CD1-CZ2 3.9Å; Y389-W423 HydrophobicContact CE1-CH2 4.44Å; Y389-W423 HydrophobicContact CE1-CZ2 4.31Å; Y389-W423 AromaticContact CG-CH2 3.87Å; Y389-W423 HydrophobicContact CG-CH2 3.87Å; Y389-W423 HydrophobicContact CG-CZ2 4.46Å; Y389-P426 HydrophobicContact CE1-CG 3.95Å; Y389-P426 WeakPolarHBondContact OH-CG 3.5Å; Y389-E427 HydrophobicContact CE2-CG 4.31Å; Y389-E427 PolarHBondContact OH-OE1 2.86Å
390	A	98.4	Very high	97.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	100.3	176.1	0	0	0	0	0	108.6	A366 V372 L388 V413 T414 V416	A366-A390 HydrophobicContact CB-CB 3.94Å; V372-A390 HydrophobicContact CG2-CB 3.69Å; L388-A390 HydrophobicContact CD2-CB 4.12Å; A390-V413 HydrophobicContact CB-CG1 4.03Å; A390-T414 PolarHBondContact N-O 3.15Å; A390-V416 PolarHBondContact O-N 2.98Å
391	V	98	Very high	97.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.4	-176.5	-170.5	0	0	0	0	109.2	V363 L364 G365 A366 V416 M420 W423	V363-V391 PolarHBondContact O-N 2.85Å; L364-V391 HydrophobicContact CD2-CB 4Å; L364-V391 HydrophobicContact CD2-CG2 3.78Å; G365-V391 WeakPolarHBondContact CA-O 3.47Å; G365-V391 PolarHBondContact N-O 2.97Å; A366-V391 PolarHBondContact N-O 2.81Å; V391-V416 WeakPolarHBondContact CA-O 3.45Å; V391-V416 HydrophobicContact CG1-CB 4.49Å; V391-V416 HydrophobicContact CG1-CG1 4.39Å; V391-V416 HydrophobicContact CG2-CB 4.17Å; V391-M420 HydrophobicContact CG1-CB 4.07Å; V391-W423 HydrophobicContact CG2-CE3 3.73Å; V391-W423 HydrophobicContact CG2-CH2 4.16Å; V391-W423 HydrophobicContact CG2-CZ3 3.53Å
392	E	98	Very high	97.9	Very high	13 Å²	13	38.8 Å²	38.8	6%	0.061	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	136.9	178.6	176.7	51.6	-114.8	0	0	109.2	A366 G367 N394 A397 V398 L401 V416 S417 S418	A366-E392 HydrophobicContact CB-CB 4.36Å; A366-E392 PolarHBondContact N-OE2 3.42Å; G367-E392 VanDerWaalsContact CA-OE2 3.28Å; G367-E392 WeakPolarHBondContact CA-OE2 3.31Å; G367-E392 PolarHBondContact N-OE2 3.21Å; E392-N394 HydrophobicContact CG-CB 4.43Å; E392-N394 VanDerWaalsContact OE1-CB 3.29Å; E392-N394 WeakPolarHBondContact OE1-CB 3.37Å; E392-N394 PolarHBondContact OE1-N 3.03Å; E392-A397 HydrophobicContact CG-CB 3.95Å; E392-V398 HydrophobicContact CB-CG2 4.02Å; E392-V398 HydrophobicContact CG-CG2 4.02Å; E392-L401 HydrophobicContact CB-CD1 3.68Å; E392-L401 HydrophobicContact CG-CD1 4.28Å; E392-V416 PolarHBondContact N-O 2.87Å; E392-S417 CarbonylContact O-C 3.59Å; E392-S417 WeakPolarHBondContact O-CA 3.31Å; E392-S418 CarbonylContact C-O 3.57Å; E392-S418 PolarHBondContact O-N 2.78Å
393	K	96.6	Very high	97.9	Very high	54 Å²	54	42.4 Å²	42.4	24%	0.235	22%	0.215	C	C	.	.			trans	-95.1	-26.8	-179.5	73.8	170.8	-178.6	92.7	0	112.9	P314 L315 P395 S418	P314-K393 WeakPolarHBondContact O-CE 3.43Å; P314-K393 PolarHBondContact O-NZ 3.38Å; L315-K393 HydrophobicContact CD1-CD 4.36Å; L315-K393 WeakPolarHBondContact O-CE 3.5Å; L315-K393 PolarHBondContact O-NZ 3.34Å; K393-P395 WeakPolarHBondContact O-CD 3.03Å; K393-P395 VanDerWaalsContact O-N 3.16Å; K393-S418 PolarHBondContact N-O 3.36Å
394	N	97.3	Very high	97.9	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	21%	0.208	C	C	.	.			trans	-72.1	108.2	-177	-178.9	-7.1	0	0	0	108.1	N318 L319 Y324 E392 N396 A397 V398	N318-N394 WeakPolarHBondContact OD1-CA 3.49Å; N318-N394 PolarHBondContact OD1-OD1 2.83Å; L319-N394 PolarHBondContact N-ND2 2.85Å; L319-N394 PolarHBondContact O-ND2 3.01Å; L319-N394 VanDerWaalsContact O-ND2 3.17Å; Y324-N394 PolarHBondContact OH-ND2 3.47Å; Y324-N394 VanDerWaalsContact OH-ND2 3.09Å; E392-N394 HydrophobicContact CG-CB 4.43Å; E392-N394 VanDerWaalsContact OE1-CB 3.29Å; E392-N394 WeakPolarHBondContact OE1-CB 3.37Å; E392-N394 PolarHBondContact OE1-N 3.03Å; N394-N396 PolarHBondContact O-N 2.73Å; N394-N396 WeakPolarHBondContact OD1-CB 3.43Å; N394-N396 PolarHBondContact OD1-N 3.02Å; N394-N396 VanDerWaalsContact OD1-N 3.14Å; N394-N396 PolarHBondContact OD1-ND2 2.91Å; N394-A397 HydrophobicContact CB-CB 4.14Å; N394-A397 PolarHBondContact O-N 2.89Å; N394-V398 WeakPolarHBondContact O-CG2 3.45Å; N394-V398 PolarHBondContact O-N 2.97Å; N394-V398 VanDerWaalsContact O-N 3.09Å
395	P	97.5	Very high	97.9	Very high	67 Å²	67	44.5 Å²	44.5	44%	0.435	22%	0.218	S	C	.	.	H	α-helix	trans	-60.7	-25	-174	25.9	-35.1	0	0	0	112.1	K393 V399	K393-P395 WeakPolarHBondContact O-CD 3.03Å; K393-P395 VanDerWaalsContact O-N 3.16Å; P395-V399 PolarHBondContact O-N 2.77Å
396	N	97.9	Very high	97.8	Very high	110 Å²	110	47.6 Å²	47.6	59%	0.588	24%	0.235	S	C	*	.	H	α-helix	trans	-74.6	-34.5	178.5	-52.8	-71.3	0	0	0	112.5	N394	N394-N396 PolarHBondContact O-N 2.73Å; N394-N396 WeakPolarHBondContact OD1-CB 3.43Å; N394-N396 PolarHBondContact OD1-N 3.02Å; N394-N396 VanDerWaalsContact OD1-N 3.14Å; N394-N396 PolarHBondContact OD1-ND2 2.91Å
397	A	97.4	Very high	97.8	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.033	26%	0.263	C	S	.	.	H	α-helix	trans	-76.5	-33.6	176.2	0	0	0	0	0	111.2	Y324 E392 N394 V399 T400 L401	Y324-A397 HydrophobicContact CE2-CB 4.38Å; E392-A397 HydrophobicContact CG-CB 3.95Å; N394-A397 HydrophobicContact CB-CB 4.14Å; N394-A397 PolarHBondContact O-N 2.89Å; A397-V399 VanDerWaalsContact C-N 3.25Å; A397-V399 PolarHBondContact O-N 2.9Å; A397-T400 WeakPolarHBondContact O-CA 3.16Å; A397-T400 WeakPolarHBondContact O-CB 3.3Å; A397-T400 PolarHBondContact O-N 2.62Å; A397-L401 PolarHBondContact O-N 2.63Å; A397-L401 VanDerWaalsContact O-N 3.16Å
398	V	98.2	Very high	97.7	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.03	28%	0.278	C	S	.	.	H	α-helix	trans	-55.1	-39.9	173.1	170.9	0	0	0	0	111.8	E392 N394 T400 L401 E402 V415	E392-V398 HydrophobicContact CB-CG2 4.02Å; E392-V398 HydrophobicContact CG-CG2 4.02Å; N394-V398 WeakPolarHBondContact O-CG2 3.45Å; N394-V398 PolarHBondContact O-N 2.97Å; N394-V398 VanDerWaalsContact O-N 3.09Å; V398-T400 PolarHBondContact O-N 3.02Å; V398-L401 CarbonylContact O-C 3.55Å; V398-L401 WeakPolarHBondContact O-CA 3.46Å; V398-L401 WeakPolarHBondContact O-CB 3.39Å; V398-L401 PolarHBondContact O-N 3.29Å; V398-E402 HydrophobicContact CG1-CG 4Å; V398-E402 WeakPolarHBondContact O-CG 3.27Å; V398-E402 PolarHBondContact O-N 3.49Å; V398-V415 HydrophobicContact CG1-CG1 4.14Å
399	V	98	Very high	97.6	Very high	77 Å²	77	57.4 Å²	57.4	47%	0.467	28%	0.281	S	S	.	.	H	α-helix	trans	-54.5	-41.8	174.7	176.1	0	0	0	0	111.3	P395 A397 N403	P395-V399 PolarHBondContact O-N 2.77Å; A397-V399 VanDerWaalsContact C-N 3.25Å; A397-V399 PolarHBondContact O-N 2.9Å; V399-N403 PolarHBondContact O-N 2.74Å; V399-N403 VanDerWaalsContact O-N 3.17Å; V399-N403 PolarHBondContact O-ND2 3.1Å
400	T	97.9	Very high	97.4	Very high	48 Å²	48	58.6 Å²	58.6	29%	0.294	30%	0.297	S	S	.	.	H	α-helix	trans	-66.8	-42	176.3	-56.8	0	0	0	0	111.5	R368 A397 V398 N403 W404	R368-T400 HydrophobicContact CB-CG2 4.01Å; A397-T400 WeakPolarHBondContact O-CA 3.16Å; A397-T400 WeakPolarHBondContact O-CB 3.3Å; A397-T400 PolarHBondContact O-N 2.62Å; V398-T400 PolarHBondContact O-N 3.02Å; T400-N403 PolarHBondContact O-N 2.88Å; T400-W404 PolarHBondContact O-N 3.27Å
401	L	98.3	Very high	97.2	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63.2	-41.3	177.3	-63.2	176.6	0	0	0	112.7	A366 G367 E392 A397 V398 W404 Q405 W409 V415	A366-L401 HydrophobicContact CB-CD1 3.88Å; A366-L401 HydrophobicContact CB-CD2 4.37Å; G367-L401 WeakPolarHBondContact O-CD1 3.48Å; G367-L401 WeakPolarHBondContact O-CG 3.27Å; E392-L401 HydrophobicContact CB-CD1 3.68Å; E392-L401 HydrophobicContact CG-CD1 4.28Å; A397-L401 PolarHBondContact O-N 2.63Å; A397-L401 VanDerWaalsContact O-N 3.16Å; V398-L401 CarbonylContact O-C 3.55Å; V398-L401 WeakPolarHBondContact O-CA 3.46Å; V398-L401 WeakPolarHBondContact O-CB 3.39Å; V398-L401 PolarHBondContact O-N 3.29Å; L401-W404 PolarHBondContact O-N 3.23Å; L401-Q405 WeakPolarHBondContact O-CB 3.32Å; L401-Q405 PolarHBondContact O-N 3.14Å; L401-W409 HydrophobicContact CB-CZ3 4.39Å; L401-W409 HydrophobicContact CD2-CH2 3.71Å; L401-W409 HydrophobicContact CD2-CZ3 3.98Å; L401-V415 HydrophobicContact CB-CG1 3.79Å; L401-V415 HydrophobicContact CB-CG2 3.9Å; L401-V415 HydrophobicContact CD1-CG1 4.27Å
402	E	98.2	Very high	97.1	Very high	101 Å²	101	68.6 Å²	68.6	47%	0.472	36%	0.357	S	S	.	.	H	α-helix	trans	-65.6	-38.2	177.6	-71.3	178.2	159.6	0	0	111.8	V398 Q405 F406 V415	V398-E402 HydrophobicContact CG1-CG 4Å; V398-E402 WeakPolarHBondContact O-CG 3.27Å; V398-E402 PolarHBondContact O-N 3.49Å; E402-Q405 WeakPolarHBondContact O-CB 3.41Å; E402-Q405 PolarHBondContact O-N 2.7Å; E402-F406 WeakPolarHBondContact O-CB 3.29Å; E402-F406 PolarHBondContact O-N 2.63Å; E402-V415 HydrophobicContact CG-CG1 4.17Å
403	N	98	Very high	97.1	Very high	80 Å²	80	68 Å²	68	43%	0.428	36%	0.355	S	S	.	.	H	α-helix	trans	-63.3	-46.6	172.2	-78.2	-73.6	0	0	0	111.1	V399 T400 Q405 F406 E407	V399-N403 PolarHBondContact O-N 2.74Å; V399-N403 VanDerWaalsContact O-N 3.17Å; V399-N403 PolarHBondContact O-ND2 3.1Å; T400-N403 PolarHBondContact O-N 2.88Å; N403-Q405 VanDerWaalsContact C-N 3.29Å; N403-Q405 PolarHBondContact O-N 2.76Å; N403-F406 PolarHBondContact O-N 2.8Å; N403-E407 WeakPolarHBondContact O-CB 3.12Å; N403-E407 WeakPolarHBondContact O-CG 3.35Å; N403-E407 PolarHBondContact O-N 2.75Å
404	W	97.9	Very high	97.2	Very high	96 Å²	96	67.8 Å²	67.8	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-59.1	-39.2	174.1	-80.7	115	0	0	0	112.8	T400 L401 E408 W409	T400-W404 PolarHBondContact O-N 3.27Å; L401-W404 PolarHBondContact O-N 3.23Å; W404-E408 HydrophobicContact CE3-CB 3.95Å; W404-E408 HydrophobicContact CE3-CG 3.9Å; W404-E408 HydrophobicContact CZ3-CB 4.31Å; W404-E408 HydrophobicContact CZ3-CG 3.88Å; W404-E408 PolarHBondContact O-N 2.74Å; W404-W409 HydrophobicContact CB-CD2 3.73Å; W404-W409 HydrophobicContact CB-CE3 3.57Å; W404-W409 HydrophobicContact CB-CH2 3.42Å; W404-W409 VanDerWaalsContact CB-CH2 3.42Å; W404-W409 HydrophobicContact CB-CZ2 3.58Å; W404-W409 HydrophobicContact CB-CZ3 3.41Å; W404-W409 VanDerWaalsContact CB-CZ3 3.41Å; W404-W409 AromaticContact CD1-CH2 3.97Å; W404-W409 HydrophobicContact CD2-CZ2 4.15Å; W404-W409 AromaticContact CG-CH2 3.76Å; W404-W409 HydrophobicContact CG-CH2 3.76Å; W404-W409 AromaticContact CG-CZ2 3.71Å; W404-W409 HydrophobicContact CG-CZ2 3.71Å; W404-W409 HydrophobicContact CG-CZ3 4.26Å; W404-W409 PolarHBondContact O-N 3.49Å
405	Q	97.7	Very high	97.2	Very high	60 Å²	60	68.8 Å²	68.8	28%	0.28	36%	0.364	S	S	.	.	I	π-helix	trans	-62.7	-44.3	176.4	-170.5	-172.8	27.8	0	0	111.6	L401 E402 N403 W409 G410 V413 V415	L401-Q405 WeakPolarHBondContact O-CB 3.32Å; L401-Q405 PolarHBondContact O-N 3.14Å; E402-Q405 WeakPolarHBondContact O-CB 3.41Å; E402-Q405 PolarHBondContact O-N 2.7Å; N403-Q405 VanDerWaalsContact C-N 3.29Å; N403-Q405 PolarHBondContact O-N 2.76Å; Q405-W409 HydrophobicContact CB-CE3 4.38Å; Q405-G410 VanDerWaalsContact O-CA 3.26Å; Q405-G410 WeakPolarHBondContact O-CA 3.27Å; Q405-G410 PolarHBondContact O-N 3.38Å; Q405-V413 PolarHBondContact NE2-O 2.61Å; Q405-V415 HydrophobicContact CB-CG2 3.92Å; Q405-V415 HydrophobicContact CG-CG2 4.31Å
406	F	96.7	Very high	97.3	Very high	182 Å²	182	66.4 Å²	66.4	80%	0.798	35%	0.348	S	S	*	.	I	π-helix	trans	-70.5	-42.3	-180	-179.6	-100.8	0	0	0	112.8	E402 N403	E402-F406 WeakPolarHBondContact O-CB 3.29Å; E402-F406 PolarHBondContact O-N 2.63Å; N403-F406 PolarHBondContact O-N 2.8Å
407	E	96.5	Very high	97.2	Very high	134 Å²	134	64.8 Å²	64.8	63%	0.626	35%	0.346	S	S	*	.	I	π-helix	trans	-86.4	-37.7	-171.5	-65.3	-175.9	161.8	0	0	113.6	N403	N403-E407 WeakPolarHBondContact O-CB 3.12Å; N403-E407 WeakPolarHBondContact O-CG 3.35Å; N403-E407 PolarHBondContact O-N 2.75Å
408	E	95.8	Very high	97.2	Very high	143 Å²	143	66 Å²	66	67%	0.668	35%	0.354	S	S	*	.	I	π-helix	trans	-131.2	-49.1	-164.6	-69.2	-72.8	154.5	0	0	114	W404	W404-E408 HydrophobicContact CE3-CB 3.95Å; W404-E408 HydrophobicContact CE3-CG 3.9Å; W404-E408 HydrophobicContact CZ3-CB 4.31Å; W404-E408 HydrophobicContact CZ3-CG 3.88Å; W404-E408 PolarHBondContact O-N 2.74Å
409	W	97	Very high	97	Very high	17 Å²	17	66.9 Å²	66.9	6%	0.064	36%	0.358	C	S	.	.	I	π-helix	trans	-79.9	-28.5	-172.8	-56.6	-29.8	0	0	0	113.6	V372 N373 L376 L401 W404 Q405 Q412 V413	V372-W409 HydrophobicContact CB-CH2 3.97Å; V372-W409 HydrophobicContact CB-CZ2 3.94Å; V372-W409 HydrophobicContact CG1-CD2 4.12Å; V372-W409 HydrophobicContact CG1-CE3 4.22Å; V372-W409 HydrophobicContact CG1-CH2 3.76Å; V372-W409 HydrophobicContact CG1-CZ2 3.61Å; V372-W409 HydrophobicContact CG1-CZ3 4.06Å; V372-W409 HydrophobicContact CG2-CH2 4.39Å; N373-W409 PolarHBondContact OD1-NE1 2.95Å; L376-W409 HydrophobicContact CD1-CD2 4.49Å; L376-W409 HydrophobicContact CD1-CG 3.95Å; L401-W409 HydrophobicContact CB-CZ3 4.39Å; L401-W409 HydrophobicContact CD2-CH2 3.71Å; L401-W409 HydrophobicContact CD2-CZ3 3.98Å; W404-W409 HydrophobicContact CB-CD2 3.73Å; W404-W409 HydrophobicContact CB-CE3 3.57Å; W404-W409 HydrophobicContact CB-CH2 3.42Å; W404-W409 VanDerWaalsContact CB-CH2 3.42Å; W404-W409 HydrophobicContact CB-CZ2 3.58Å; W404-W409 HydrophobicContact CB-CZ3 3.41Å; W404-W409 VanDerWaalsContact CB-CZ3 3.41Å; W404-W409 AromaticContact CD1-CH2 3.97Å; W404-W409 HydrophobicContact CD2-CZ2 4.15Å; W404-W409 AromaticContact CG-CH2 3.76Å; W404-W409 HydrophobicContact CG-CH2 3.76Å; W404-W409 AromaticContact CG-CZ2 3.71Å; W404-W409 HydrophobicContact CG-CZ2 3.71Å; W404-W409 HydrophobicContact CG-CZ3 4.26Å; W404-W409 PolarHBondContact O-N 3.49Å; Q405-W409 HydrophobicContact CB-CE3 4.38Å; W409-Q412 WeakPolarHBondContact O-CB 3.22Å; W409-Q412 PolarHBondContact O-N 2.82Å; W409-V413 HydrophobicContact CB-CB 3.8Å; W409-V413 HydrophobicContact CB-CG2 3.6Å; W409-V413 HydrophobicContact CD2-CB 4.22Å; W409-V413 HydrophobicContact CD2-CG1 4.35Å; W409-V413 HydrophobicContact CD2-CG2 3.94Å; W409-V413 HydrophobicContact CE3-CB 3.91Å; W409-V413 HydrophobicContact CE3-CG1 3.64Å; W409-V413 HydrophobicContact CE3-CG2 4.09Å; W409-V413 HydrophobicContact CG-CB 4.24Å; W409-V413 HydrophobicContact CG-CG2 3.78Å; W409-V413 HydrophobicContact CZ3-CG1 4.12Å
410	G	94.8	Very high	96.8	Very high	36 Å²	36	64 Å²	64	37%	0.371	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	55	-142.4	-177	0	0	0	0	0	112.9	Q405 Q412	Q405-G410 VanDerWaalsContact O-CA 3.26Å; Q405-G410 WeakPolarHBondContact O-CA 3.27Å; Q405-G410 PolarHBondContact O-N 3.38Å; G410-Q412 PolarHBondContact O-N 3.15Å
411	S	94.3	Very high	96.4	Very high	125 Å²	125	64.9 Å²	64.9	87%	0.874	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-72.8	-4.2	-177.4	61.8	0	0	0	0	114.7	V413	S411-V413 VanDerWaalsContact C-N 3.31Å
412	Q	94.9	Very high	96	Very high	86 Å²	86	72.2 Å²	72.2	40%	0.402	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-72.4	-28.5	178.9	-172.4	176.2	2.2	0	0	112	L376 L388 W409 G410	L376-Q412 VanDerWaalsContact CD2-CD 3.45Å; L376-Q412 HydrophobicContact CD2-CG 3.96Å; L376-Q412 VanDerWaalsContact CD2-NE2 3.34Å; L388-Q412 PolarHBondContact N-O 2.94Å; L388-Q412 VanDerWaalsContact N-O 3.13Å; W409-Q412 WeakPolarHBondContact O-CB 3.22Å; W409-Q412 PolarHBondContact O-N 2.82Å; G410-Q412 PolarHBondContact O-N 3.15Å
413	V	98.3	Very high	95.8	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.5	-180	177.7	0	0	0	0	109.5	V372 L376 L388 A390 Q405 W409 S411	V372-V413 HydrophobicContact CG1-CG1 4.22Å; V372-V413 HydrophobicContact CG1-CG2 3.98Å; L376-V413 HydrophobicContact CD1-CG2 4.01Å; L376-V413 HydrophobicContact CD2-CG2 4.12Å; L376-V413 HydrophobicContact CG-CG2 4.47Å; L388-V413 HydrophobicContact CB-CG2 4.19Å; L388-V413 HydrophobicContact CD2-CB 4.42Å; L388-V413 HydrophobicContact CD2-CG1 3.78Å; L388-V413 HydrophobicContact CD2-CG2 4.06Å; L388-V413 CarbonylContact O-C 3.56Å; L388-V413 WeakPolarHBondContact O-CA 3.37Å; A390-V413 HydrophobicContact CB-CG1 4.03Å; Q405-V413 PolarHBondContact NE2-O 2.61Å; W409-V413 HydrophobicContact CB-CB 3.8Å; W409-V413 HydrophobicContact CB-CG2 3.6Å; W409-V413 HydrophobicContact CD2-CB 4.22Å; W409-V413 HydrophobicContact CD2-CG1 4.35Å; W409-V413 HydrophobicContact CD2-CG2 3.94Å; W409-V413 HydrophobicContact CE3-CB 3.91Å; W409-V413 HydrophobicContact CE3-CG1 3.64Å; W409-V413 HydrophobicContact CE3-CG2 4.09Å; W409-V413 HydrophobicContact CG-CB 4.24Å; W409-V413 HydrophobicContact CG-CG2 3.78Å; W409-V413 HydrophobicContact CZ3-CG1 4.12Å; S411-V413 VanDerWaalsContact C-N 3.31Å
414	T	98.2	Very high	95.5	Very high	50 Å²	50	71 Å²	71	31%	0.307	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.9	169.5	-57.2	0	0	0	0	108.9	L388 Y389 A390 V416	L388-T414 PolarHBondContact O-N 2.91Å; Y389-T414 CarbonylContact C-O 3.59Å; Y389-T414 WeakPolarHBondContact CA-O 3.12Å; Y389-T414 HydrophobicContact CD1-CG2 3.9Å; Y389-T414 HydrophobicContact CE1-CG2 3.93Å; A390-T414 PolarHBondContact N-O 3.15Å; T414-V416 HydrophobicContact CG2-CG2 4.31Å
415	V	98.3	Very high	95.3	Very high	23 Å²	23	67.2 Å²	67.2	14%	0.139	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	131.4	174.3	-178.6	0	0	0	0	109.3	V398 L401 E402 Q405	V398-V415 HydrophobicContact CG1-CG1 4.14Å; L401-V415 HydrophobicContact CB-CG1 3.79Å; L401-V415 HydrophobicContact CB-CG2 3.9Å; L401-V415 HydrophobicContact CD1-CG1 4.27Å; E402-V415 HydrophobicContact CG-CG1 4.17Å; Q405-V415 HydrophobicContact CB-CG2 3.92Å; Q405-V415 HydrophobicContact CG-CG2 4.31Å
416	V	97.9	Very high	95.1	Very high	18 Å²	18	68.9 Å²	68.9	11%	0.109	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	110.3	-179.9	-178.8	0	0	0	0	108.6	Y389 A390 V391 E392 T414 S418 W423	Y389-V416 HydrophobicContact CD1-CG2 4.11Å; A390-V416 PolarHBondContact O-N 2.98Å; V391-V416 WeakPolarHBondContact CA-O 3.45Å; V391-V416 HydrophobicContact CG1-CB 4.49Å; V391-V416 HydrophobicContact CG1-CG1 4.39Å; V391-V416 HydrophobicContact CG2-CB 4.17Å; E392-V416 PolarHBondContact N-O 2.87Å; T414-V416 HydrophobicContact CG2-CG2 4.31Å; V416-S418 PolarHBondContact O-N 3.13Å; V416-W423 HydrophobicContact CG1-CD2 3.97Å; V416-W423 HydrophobicContact CG1-CG 3.98Å; V416-W423 HydrophobicContact CG1-CZ2 4.34Å; V416-W423 HydrophobicContact CG2-CH2 4.35Å; V416-W423 HydrophobicContact CG2-CZ2 3.82Å
417	S	97.8	Very high	95.1	Very high	76 Å²	76	63.4 Å²	63.4	53%	0.531	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	90.1	174.3	-170.5	0	0	0	0	109.7	E392	E392-S417 CarbonylContact O-C 3.59Å; E392-S417 WeakPolarHBondContact O-CA 3.31Å
418	S	96.3	Very high	95.1	Very high	29 Å²	29	61.9 Å²	61.9	20%	0.203	34%	0.344	C	S	.	.	S	Bend	trans	-162.8	154.1	-176.6	-169.5	0	0	0	0	111.9	E392 K393 V416 M420	E392-S418 CarbonylContact C-O 3.57Å; E392-S418 PolarHBondContact O-N 2.78Å; K393-S418 PolarHBondContact N-O 3.36Å; V416-S418 PolarHBondContact O-N 3.13Å; S418-M420 PolarHBondContact O-N 3.24Å
419	D	93.8	Very high	95.2	Very high	24 Å²	24	55 Å²	55	13%	0.128	31%	0.312	C	S	.	.			trans	-62.8	129.9	154.6	-169.7	-45.5	0	0	0	108.2	R421 E422 W423	D419-R421 PolarHBondContact O-N 3.46Å; D419-R421 WeakPolarHBondContact OD1-CB 3.5Å; D419-R421 WeakPolarHBondContact OD1-CG 3.31Å; D419-R421 IonicContact OD1-CZ 3.31Å; D419-R421 PolarHBondContact OD1-N 3.09Å; D419-R421 IonicContact OD1-NE 3.19Å; D419-R421 PolarHBondContact OD1-NE 3.16Å; D419-R421 IonicContact OD1-NH2 3.62Å; D419-R421 IonicContact OD2-CZ 2.78Å; D419-R421 IonicContact OD2-NE 3.61Å; D419-R421 PolarHBondContact OD2-NE 2.96Å; D419-R421 IonicContact OD2-NH2 3.2Å; D419-R421 PolarHBondContact OD2-NH2 3.3Å; D419-E422 HydrophobicContact CB-CB 4.41Å; D419-E422 HydrophobicContact CB-CG 4.22Å; D419-E422 PolarHBondContact O-N 2.99Å; D419-W423 PolarHBondContact O-N 3.41Å; D419-W423 VanDerWaalsContact O-N 3.09Å
420	M	93.5	Very high	95.3	Very high	16 Å²	16	54.5 Å²	54.5	8%	0.079	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.7	-179	65.5	-169.9	73.4	0	0	112.8	L364 V391 S418 L436 C449 A453 F456	L364-M420 HydrophobicContact CB-CE 3.84Å; L364-M420 HydrophobicContact CB-SD 3.7Å; L364-M420 HydrophobicContact CD1-SD 4.06Å; L364-M420 HydrophobicContact CD2-CB 4.18Å; L364-M420 HydrophobicContact CG-SD 4.41Å; V391-M420 HydrophobicContact CG1-CB 4.07Å; S418-M420 PolarHBondContact O-N 3.24Å; M420-L436 HydrophobicContact CE-CD1 3.67Å; M420-L436 HydrophobicContact SD-CD1 4.27Å; M420-C449 HydrophobicContact SD-CB 3.73Å; M420-A453 HydrophobicContact CG-CB 4.48Å; M420-F456 WeakPolarHBondContact O-CE2 3.31Å; M420-F456 WeakPolarHBondContact O-CZ 3.23Å
421	R	90.6	Very high	95.5	Very high	67 Å²	67	52.8 Å²	52.8	25%	0.253	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-21.8	-177.6	-55.6	170	-62.5	162.8	3.5	112.6	D419 L637	D419-R421 PolarHBondContact O-N 3.46Å; D419-R421 WeakPolarHBondContact OD1-CB 3.5Å; D419-R421 WeakPolarHBondContact OD1-CG 3.31Å; D419-R421 IonicContact OD1-CZ 3.31Å; D419-R421 PolarHBondContact OD1-N 3.09Å; D419-R421 IonicContact OD1-NE 3.19Å; D419-R421 PolarHBondContact OD1-NE 3.16Å; D419-R421 IonicContact OD1-NH2 3.62Å; D419-R421 IonicContact OD2-CZ 2.78Å; D419-R421 IonicContact OD2-NE 3.61Å; D419-R421 PolarHBondContact OD2-NE 2.96Å; D419-R421 IonicContact OD2-NH2 3.2Å; D419-R421 PolarHBondContact OD2-NH2 3.3Å; R421-L637 PolarHBondContact NH1-OXT 3.38Å; R421-L637 PolarHBondContact NH2-OXT 3.23Å
422	E	90.3	Very high	95.6	Very high	153 Å²	153	47 Å²	47	72%	0.715	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-20	-179.4	-59.2	-171.9	159.6	0	0	112.8	D419	D419-E422 HydrophobicContact CB-CB 4.41Å; D419-E422 HydrophobicContact CB-CG 4.22Å; D419-E422 PolarHBondContact O-N 2.99Å
423	W	92.6	Very high	95.8	Very high	33 Å²	33	43 Å²	43	13%	0.125	23%	0.233	C	C	.	.			trans	-62.6	146	178.3	-179.5	45.1	0	0	0	111.1	M362 Y389 V391 V416 D419 A425 F456	M362-W423 HydrophobicContact CE-CH2 4.04Å; M362-W423 HydrophobicContact CE-CZ3 4.2Å; M362-W423 HydrophobicContact SD-CH2 4.05Å; M362-W423 HydrophobicContact SD-CZ3 3.67Å; Y389-W423 AromaticContact CD1-CH2 3.78Å; Y389-W423 HydrophobicContact CD1-CH2 3.78Å; Y389-W423 AromaticContact CD1-CZ2 3.9Å; Y389-W423 HydrophobicContact CD1-CZ2 3.9Å; Y389-W423 HydrophobicContact CE1-CH2 4.44Å; Y389-W423 HydrophobicContact CE1-CZ2 4.31Å; Y389-W423 AromaticContact CG-CH2 3.87Å; Y389-W423 HydrophobicContact CG-CH2 3.87Å; Y389-W423 HydrophobicContact CG-CZ2 4.46Å; V391-W423 HydrophobicContact CG2-CE3 3.73Å; V391-W423 HydrophobicContact CG2-CH2 4.16Å; V391-W423 HydrophobicContact CG2-CZ3 3.53Å; V416-W423 HydrophobicContact CG1-CD2 3.97Å; V416-W423 HydrophobicContact CG1-CG 3.98Å; V416-W423 HydrophobicContact CG1-CZ2 4.34Å; V416-W423 HydrophobicContact CG2-CH2 4.35Å; V416-W423 HydrophobicContact CG2-CZ2 3.82Å; D419-W423 PolarHBondContact O-N 3.41Å; D419-W423 VanDerWaalsContact O-N 3.09Å; W423-A425 HydrophobicContact CD2-CB 4.41Å; W423-A425 HydrophobicContact CE3-CB 4.16Å; W423-A425 HydrophobicContact CH2-CB 3.72Å; W423-A425 HydrophobicContact CZ2-CB 3.96Å; W423-A425 HydrophobicContact CZ3-CB 3.83Å; W423-F456 HydrophobicContact CE3-CE2 4.24Å; W423-F456 HydrophobicContact CE3-CZ 4.49Å; W423-F456 WeakPolarHBondContact O-CE1 3.32Å; W423-F456 WeakPolarHBondContact O-CZ 3.26Å
424	V	92.1	Very high	95.8	Very high	123 Å²	123	43 Å²	43	75%	0.745	23%	0.233	S	C	*	.			trans	-112.4	102.2	170.5	177.8	0	0	0	0	107.3
425	A	93.3	Very high	95.6	Very high	17 Å²	17	42 Å²	42	14%	0.14	23%	0.225	C	C	.	.			trans	-63.6	138.1	-179.3	0	0	0	0	0	111.6	M362 W423 E427 F456	M362-A425 HydrophobicContact CE-CB 3.66Å; M362-A425 HydrophobicContact SD-CB 4.41Å; W423-A425 HydrophobicContact CD2-CB 4.41Å; W423-A425 HydrophobicContact CE3-CB 4.16Å; W423-A425 HydrophobicContact CH2-CB 3.72Å; W423-A425 HydrophobicContact CZ2-CB 3.96Å; W423-A425 HydrophobicContact CZ3-CB 3.83Å; A425-E427 WeakPolarHBondContact CB-O 3.36Å; A425-E427 PolarHBondContact O-N 3.45Å; A425-F456 HydrophobicContact CB-CB 4.19Å; A425-F456 HydrophobicContact CB-CD1 3.48Å; A425-F456 VanDerWaalsContact CB-CD1 3.48Å; A425-F456 HydrophobicContact CB-CE1 4.04Å; A425-F456 HydrophobicContact CB-CG 3.85Å
426	P	94.9	Very high	95.4	Very high	95 Å²	95	42 Å²	42	62%	0.617	22%	0.224	S	C	*	.	S	Bend	trans	-71.4	-17.9	-179.2	30	-36.5	0	0	0	113.2	Y389	Y389-P426 HydrophobicContact CE1-CG 3.95Å; Y389-P426 WeakPolarHBondContact OH-CG 3.5Å
427	E	96.1	Very high	95.3	Very high	66 Å²	66	41.1 Å²	41.1	31%	0.308	22%	0.219	S	C	.	.	S	Bend	trans	-152.9	161.2	178.2	68	-164.8	126.4	0	0	109.5	V360 M362 K387 Y389 A425	V360-E427 HydrophobicContact CG1-CG 4.11Å; V360-E427 HydrophobicContact CG2-CG 4.16Å; V360-E427 WeakPolarHBondContact CG2-OE2 3.14Å; M362-E427 VanDerWaalsContact CE-O 3.24Å; M362-E427 WeakPolarHBondContact CE-O 3.47Å; K387-E427 WeakPolarHBondContact CD-OE1 3.42Å; K387-E427 VanDerWaalsContact CE-OE1 3.24Å; K387-E427 WeakPolarHBondContact CE-OE1 3.44Å; K387-E427 IonicContact NZ-OE1 2.79Å; K387-E427 PolarHBondContact NZ-OE1 2.66Å; Y389-E427 HydrophobicContact CE2-CG 4.31Å; Y389-E427 PolarHBondContact OH-OE1 2.86Å; A425-E427 WeakPolarHBondContact CB-O 3.36Å; A425-E427 PolarHBondContact O-N 3.45Å
428	K	97.1	Very high	95.1	Very high	102 Å²	102	37.5 Å²	37.5	44%	0.443	19%	0.194	S	C	.	.			trans	-81	140.3	178.5	-70	-171.1	169.3	-162.9	0	112.3	F456 K458	K428-F456 CarbonylContact C-O 3.53Å; K428-F456 WeakPolarHBondContact CA-O 3.45Å; K428-F456 VanDerWaalsContact CB-O 3.27Å; K428-F456 WeakPolarHBondContact CB-O 3.48Å; K428-K458 HydrophobicContact CB-CG 3.61Å; K428-K458 HydrophobicContact CD-CG 4.44Å; K428-K458 WeakPolarHBondContact O-CE 3.45Å
429	A	97.6	Very high	95.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	140.9	173.9	0	0	0	0	0	112.7	M362 I432 F456 L457 K458	M362-A429 HydrophobicContact CB-CB 4.39Å; M362-A429 HydrophobicContact CE-CB 3.9Å; M362-A429 HydrophobicContact CG-CB 3.76Å; M362-A429 HydrophobicContact SD-CB 3.75Å; A429-I432 HydrophobicContact CB-CG1 4.05Å; A429-F456 PolarHBondContact N-O 2.85Å; A429-L457 HydrophobicContact CB-CD1 4.26Å; A429-K458 WeakPolarHBondContact O-CG 3.5Å; A429-K458 PolarHBondContact O-N 3Å
430	D	98.4	Very high	95.4	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.027	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	-36.2	162.4	-66.2	-79.1	0	0	0	111.4	R348 Q359 V360 K458 G461 V462	R348-D430 IonicContact NH2-OD1 2.75Å; R348-D430 PolarHBondContact NH2-OD1 3.49Å; Q359-D430 HydrophobicContact CB-CB 4.33Å; V360-D430 PolarHBondContact N-OD2 2.8Å; V360-D430 PolarHBondContact O-N 3.27Å; D430-K458 WeakPolarHBondContact OD1-CD 3.43Å; D430-K458 WeakPolarHBondContact OD1-CE 3.4Å; D430-K458 IonicContact OD1-NZ 2.76Å; D430-K458 PolarHBondContact OD1-NZ 3.31Å; D430-K458 IonicContact OD2-NZ 2.63Å; D430-K458 PolarHBondContact OD2-NZ 3.05Å; D430-G461 CarbonylContact O-C 3.55Å; D430-G461 WeakPolarHBondContact O-CA 3.38Å; D430-V462 PolarHBondContact O-N 2.88Å
431	I	98.5	Very high	95.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	125.3	-177	-52.5	173.5	0	0	0	109	L345 V360 L361 M362 V433 V462 I464	L345-I431 HydrophobicContact CD2-CD1 3.67Å; L345-I431 HydrophobicContact CG-CD1 4.16Å; V360-I431 PolarHBondContact O-N 3.3Å; V360-I431 VanDerWaalsContact O-N 3.15Å; L361-I431 CarbonylContact C-O 3.53Å; L361-I431 WeakPolarHBondContact CA-O 3.28Å; L361-I431 HydrophobicContact CD1-CB 4.33Å; L361-I431 HydrophobicContact CD1-CD1 4.44Å; L361-I431 HydrophobicContact CD1-CG2 4.29Å; L361-I431 HydrophobicContact CG-CB 4.17Å; L361-I431 HydrophobicContact CG-CG2 4.35Å; M362-I431 PolarHBondContact N-O 3.34Å; I431-V433 HydrophobicContact CG2-CG2 3.85Å; I431-V462 CarbonylContact C-O 3.59Å; I431-V462 WeakPolarHBondContact CA-O 3.38Å; I431-I464 HydrophobicContact CG2-CD1 4.17Å; I431-I464 HydrophobicContact CG2-CG1 4.49Å
432	I	98	Very high	95.9	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.026	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.9	164.6	-74.8	172.4	0	0	0	108.2	M362 L364 A429 L450 L457 V462 S463 I464	M362-I432 HydrophobicContact CB-CG1 4.38Å; M362-I432 WeakPolarHBondContact O-CA 3.24Å; L364-I432 HydrophobicContact CD1-CD1 4.36Å; L364-I432 HydrophobicContact CD1-CG1 4.48Å; L364-I432 HydrophobicContact CD1-CG2 3.54Å; L364-I432 HydrophobicContact CG-CG2 4Å; A429-I432 HydrophobicContact CB-CG1 4.05Å; I432-L450 HydrophobicContact CG2-CD2 3.83Å; I432-L457 HydrophobicContact CB-CD1 4.37Å; I432-L457 HydrophobicContact CD1-CB 4.06Å; I432-L457 HydrophobicContact CD1-CD1 3.93Å; I432-L457 HydrophobicContact CD1-CG 4.47Å; I432-L457 HydrophobicContact CG1-CD1 3.89Å; I432-V462 PolarHBondContact N-O 3.1Å; I432-S463 CarbonylContact O-C 3.56Å; I432-S463 WeakPolarHBondContact O-CA 3.19Å; I432-I464 PolarHBondContact O-N 3.31Å
433	V	98.3	Very high	96.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.7	174.5	-170.6	0	0	0	0	108.4	Y337 I341 L361 M362 V363 L364 L371 I431 I464	Y337-V433 HydrophobicContact CD1-CG1 3.82Å; Y337-V433 HydrophobicContact CE1-CG1 4.17Å; I341-V433 HydrophobicContact CD1-CG1 4.08Å; I341-V433 HydrophobicContact CD1-CG2 4.04Å; I341-V433 HydrophobicContact CG1-CG2 4Å; L361-V433 HydrophobicContact CD1-CG2 4.19Å; L361-V433 HydrophobicContact CD2-CG2 3.99Å; L361-V433 HydrophobicContact CG-CG2 4.13Å; M362-V433 PolarHBondContact O-N 3.49Å; V363-V433 CarbonylContact C-O 3.53Å; V363-V433 VanDerWaalsContact CA-O 3.3Å; V363-V433 WeakPolarHBondContact CA-O 3.44Å; L364-V433 PolarHBondContact N-O 2.95Å; L371-V433 HydrophobicContact CD1-CG1 4.03Å; L371-V433 HydrophobicContact CD2-CG1 3.85Å; L371-V433 HydrophobicContact CG-CG1 3.97Å; I431-V433 HydrophobicContact CG2-CG2 3.85Å; V433-I464 CarbonylContact C-O 3.6Å; V433-I464 VanDerWaalsContact CA-O 3.29Å; V433-I464 WeakPolarHBondContact CA-O 3.44Å; V433-I464 HydrophobicContact CG1-CB 4.37Å; V433-I464 HydrophobicContact CG1-CG2 4.39Å; V433-I464 HydrophobicContact CG2-CB 4.36Å
434	S	97.1	Very high	96.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	141.6	176.4	-168.4	0	0	0	0	111.3	Y337 L364 I464 P465	Y337-S434 PolarHBondContact OH-O 3.17Å; L364-S434 WeakPolarHBondContact O-CB 3.45Å; L364-S434 PolarHBondContact O-OG 2.75Å; S434-I464 PolarHBondContact N-O 3.23Å; S434-P465 WeakPolarHBondContact O-CD 3.42Å
435	E	94.3	Very high	96.5	Very high	30 Å²	30	17.9 Å²	17.9	14%	0.14	10%	0.095	C	C	.	.			trans	-126.2	77.2	172.5	-161	-70.8	93.4	0	0	107.1	K333 Y337 L371 L437 W579	K333-E435 HydrophobicContact CD-CG 4.15Å; K333-E435 WeakPolarHBondContact CD-OE2 3.37Å; K333-E435 WeakPolarHBondContact CE-OE2 3.3Å; K333-E435 IonicContact NZ-OE2 2.63Å; K333-E435 PolarHBondContact NZ-OE2 2.83Å; Y337-E435 HydrophobicContact CE1-CB 4.46Å; Y337-E435 HydrophobicContact CE2-CB 4.15Å; Y337-E435 HydrophobicContact CE2-CG 3.58Å; Y337-E435 WeakPolarHBondContact OH-CG 3.4Å; L371-E435 HydrophobicContact CD2-CB 3.92Å; E435-L437 PolarHBondContact OE1-N 3Å; E435-W579 HydrophobicContact CG-CZ2 4.35Å; E435-W579 VanDerWaalsContact OE1-CZ2 3.27Å; E435-W579 WeakPolarHBondContact OE1-CZ2 3.49Å
436	L	93.8	Very high	96.7	Very high	22 Å²	22	17 Å²	17	12%	0.115	9%	0.088	C	C	.	.			trans	-115.5	36.9	173.2	-67.7	174.1	0	0	0	109.6	M420 E444 S446 C449	M420-L436 HydrophobicContact CE-CD1 3.67Å; M420-L436 HydrophobicContact SD-CD1 4.27Å; L436-E444 WeakPolarHBondContact O-CB 3.19Å; L436-S446 WeakPolarHBondContact O-CB 3.35Å; L436-C449 HydrophobicContact CD1-CB 3.72Å
437	L	95.8	Very high	96.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.059	C	C	.	.			trans	-91.4	123.2	-177.6	-63.1	177.7	0	0	0	109.5	E435 A441 P465 Y468 F555 T557 W579	E435-L437 PolarHBondContact OE1-N 3Å; L437-A441 WeakPolarHBondContact CA-O 3.4Å; L437-A441 HydrophobicContact CD2-CB 4.17Å; L437-P465 HydrophobicContact CD1-CG 4.43Å; L437-Y468 HydrophobicContact CD2-CD1 3.69Å; L437-Y468 HydrophobicContact CD2-CD2 4.37Å; L437-Y468 HydrophobicContact CD2-CE1 3.78Å; L437-Y468 HydrophobicContact CD2-CE2 4.44Å; L437-Y468 HydrophobicContact CD2-CG 4Å; L437-F555 HydrophobicContact CB-CZ 4.45Å; L437-F555 HydrophobicContact CD1-CE2 3.95Å; L437-F555 HydrophobicContact CD1-CZ 4.44Å; L437-T557 HydrophobicContact CD1-CG2 3.95Å; L437-W579 PolarHBondContact O-NE1 3.18Å
438	G	95.4	Very high	96.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.049	C	C	.	.	B	Isolated β-bridge	trans	-88.3	-176.9	170.6	0	0	0	0	0	112.8	F440 A441 N443 F555	G438-F440 PolarHBondContact O-N 2.7Å; G438-A441 PolarHBondContact N-O 3.13Å; G438-A441 VanDerWaalsContact N-O 3.1Å; G438-A441 WeakPolarHBondContact O-CA 3.45Å; G438-A441 PolarHBondContact O-N 3Å; G438-N443 WeakPolarHBondContact CA-OD1 3.37Å; G438-F555 WeakPolarHBondContact O-CD1 3.26Å; G438-F555 WeakPolarHBondContact O-CE1 3.14Å
439	S	97	Very high	96.7	Very high	6 Å²	6	5.8 Å²	5.8	4%	0.042	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-16.6	175.4	-62.7	0	0	0	0	116.1	N443 I567 F580	S439-N443 PolarHBondContact N-OD1 2.74Å; S439-N443 VanDerWaalsContact N-OD1 3.1Å; S439-I567 VanDerWaalsContact O-CD1 3.31Å; S439-I567 WeakPolarHBondContact O-CD1 3.18Å; S439-F580 WeakPolarHBondContact CB-O 3.06Å; S439-F580 PolarHBondContact OG-O 3.45Å
440	F	97.9	Very high	96.6	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	20.5	175.6	-154.7	-126.3	0	0	0	111.6	G438 D442 N443 S470 F471 L472 C518 F519 I582 F584 F602 Y613	G438-F440 PolarHBondContact O-N 2.7Å; F440-D442 PolarHBondContact O-N 2.98Å; F440-N443 WeakPolarHBondContact CA-OD1 3.36Å; F440-N443 HydrophobicContact CB-CB 4.26Å; F440-N443 WeakPolarHBondContact CB-OD1 3.32Å; F440-N443 PolarHBondContact N-OD1 3.31Å; F440-S470 VanDerWaalsContact O-CB 3.24Å; F440-S470 WeakPolarHBondContact O-CB 3.24Å; F440-S470 PolarHBondContact O-OG 2.86Å; F440-F471 WeakPolarHBondContact CE2-O 2.76Å; F440-L472 HydrophobicContact CE2-CD2 3.73Å; F440-L472 HydrophobicContact CE2-CG 3.9Å; F440-L472 HydrophobicContact CZ-CD1 4.22Å; F440-L472 HydrophobicContact CZ-CD2 3.83Å; F440-L472 HydrophobicContact CZ-CG 3.77Å; F440-C518 HydrophobicContact CZ-CB 4.17Å; F440-F519 HydrophobicContact CE1-CD2 4.15Å; F440-F519 HydrophobicContact CE1-CE2 4.35Å; F440-I582 HydrophobicContact CB-CG2 3.9Å; F440-I582 HydrophobicContact CD2-CG2 3.91Å; F440-I582 HydrophobicContact CG-CG2 4.13Å; F440-F584 HydrophobicContact CD1-CE2 4.38Å; F440-F584 HydrophobicContact CD1-CZ 4.05Å; F440-F584 HydrophobicContact CD2-CE2 4.04Å; F440-F584 HydrophobicContact CD2-CZ 4.45Å; F440-F584 HydrophobicContact CE1-CE2 4.33Å; F440-F584 HydrophobicContact CE1-CZ 4.17Å; F440-F584 AromaticContact CE2-CE2 3.99Å; F440-F584 HydrophobicContact CE2-CE2 3.99Å; F440-F584 HydrophobicContact CG-CE2 4.24Å; F440-F584 HydrophobicContact CG-CZ 4.19Å; F440-F584 HydrophobicContact CZ-CE2 4.14Å; F440-F584 HydrophobicContact CZ-CZ 4.43Å; F440-F602 HydrophobicContact CE1-CE1 4.06Å; F440-F602 HydrophobicContact CZ-CE1 4.34Å; F440-Y613 HydrophobicContact CD1-CE1 4.19Å; F440-Y613 HydrophobicContact CE1-CE1 4.35Å
441	A	97.3	Very high	96.4	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.	B	Isolated β-bridge	trans	61.7	-61.2	-166.9	0	0	0	0	0	114.3	L437 G438 N443 Y468 F555	L437-A441 WeakPolarHBondContact CA-O 3.4Å; L437-A441 HydrophobicContact CD2-CB 4.17Å; G438-A441 PolarHBondContact N-O 3.13Å; G438-A441 VanDerWaalsContact N-O 3.1Å; G438-A441 WeakPolarHBondContact O-CA 3.45Å; G438-A441 PolarHBondContact O-N 3Å; A441-N443 PolarHBondContact O-N 2.84Å; A441-Y468 HydrophobicContact CB-CD2 3.56Å; A441-Y468 HydrophobicContact CB-CE2 4.25Å; A441-Y468 HydrophobicContact CB-CG 4.04Å; A441-F555 HydrophobicContact CB-CB 3.57Å; A441-F555 HydrophobicContact CB-CD2 4.08Å; A441-F555 HydrophobicContact CB-CG 3.85Å
442	D	97.2	Very high	96	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-85.9	-8	-169.4	68.3	-78.5	0	0	0	114.7	F440 E444 L445 P447 S470 F521 R604 Y613	F440-D442 PolarHBondContact O-N 2.98Å; D442-E444 PolarHBondContact O-N 3.01Å; D442-E444 VanDerWaalsContact O-N 3.12Å; D442-L445 PolarHBondContact O-N 2.84Å; D442-P447 HydrophobicContact CB-CG 3.82Å; D442-S470 PolarHBondContact OD1-OG 3.32Å; D442-F521 HydrophobicContact CB-CD2 4.29Å; D442-F521 HydrophobicContact CB-CE2 3.71Å; D442-F521 HydrophobicContact CB-CZ 4.19Å; D442-R604 VanDerWaalsContact OD2-CD 3.31Å; D442-R604 WeakPolarHBondContact OD2-CD 3.31Å; D442-R604 IonicContact OD2-CZ 3.73Å; D442-R604 IonicContact OD2-NE 3.59Å; D442-R604 PolarHBondContact OD2-NE 2.89Å; D442-R604 IonicContact OD2-NH2 3.5Å; D442-Y613 PolarHBondContact OD1-OH 2.75Å; D442-Y613 VanDerWaalsContact OD2-CE1 3.32Å; D442-Y613 WeakPolarHBondContact OD2-CE1 3.47Å; D442-Y613 PolarHBondContact OD2-OH 3.36Å
443	N	96.6	Very high	95.7	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-75.3	3.6	-173.9	72.4	-83.2	0	0	0	115.1	G438 S439 F440 A441 Y613 I635	G438-N443 WeakPolarHBondContact CA-OD1 3.37Å; S439-N443 PolarHBondContact N-OD1 2.74Å; S439-N443 VanDerWaalsContact N-OD1 3.1Å; F440-N443 WeakPolarHBondContact CA-OD1 3.36Å; F440-N443 HydrophobicContact CB-CB 4.26Å; F440-N443 WeakPolarHBondContact CB-OD1 3.32Å; F440-N443 PolarHBondContact N-OD1 3.31Å; A441-N443 PolarHBondContact O-N 2.84Å; N443-Y613 VanDerWaalsContact CA-OH 3.24Å; N443-Y613 WeakPolarHBondContact CA-OH 3.2Å; N443-Y613 HydrophobicContact CB-CE2 4.03Å; N443-Y613 VanDerWaalsContact CB-OH 3.28Å; N443-Y613 WeakPolarHBondContact CB-OH 3.35Å; N443-Y613 PolarHBondContact N-OH 3.31Å; N443-I635 HydrophobicContact CB-CD1 4.18Å; N443-I635 WeakPolarHBondContact O-CD1 3.31Å
444	E	96.2	Very high	95.2	Very high	25 Å²	25	9.3 Å²	9.3	12%	0.117	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-117.2	22.1	168.8	-71.3	-175.2	-154.7	0	0	111.6	P314 L436 D442 S446	P314-E444 HydrophobicContact CG-CB 4.1Å; P314-E444 HydrophobicContact CG-CG 4.22Å; L436-E444 WeakPolarHBondContact O-CB 3.19Å; D442-E444 PolarHBondContact O-N 3.01Å; D442-E444 VanDerWaalsContact O-N 3.12Å; E444-S446 VanDerWaalsContact C-N 3.28Å; E444-S446 PolarHBondContact O-N 2.86Å
445	L	96.8	Very high	94.8	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.077	C	C	.	.			trans	64.3	25.1	174.1	-56.6	174.6	0	0	0	114.8	L315 D442 P447 E448 C449 V611 I635 G636 L637	L315-L445 HydrophobicContact CB-CD1 4Å; L315-L445 HydrophobicContact CD2-CD1 3.34Å; L315-L445 HydrophobicContact CG-CD1 4.36Å; D442-L445 PolarHBondContact O-N 2.84Å; L445-P447 VanDerWaalsContact C-CD 3.43Å; L445-P447 VanDerWaalsContact C-N 3.27Å; L445-E448 WeakPolarHBondContact CD2-OE2 3.46Å; L445-E448 PolarHBondContact O-N 3.03Å; L445-C449 VanDerWaalsContact O-CB 3.3Å; L445-C449 WeakPolarHBondContact O-CB 3.25Å; L445-C449 PolarHBondContact O-N 2.87Å; L445-C449 PolarHBondContact O-SG 2.82Å; L445-V611 HydrophobicContact CD2-CB 3.76Å; L445-V611 HydrophobicContact CD2-CG1 4.41Å; L445-V611 HydrophobicContact CD2-CG2 3.41Å; L445-V611 VanDerWaalsContact CD2-CG2 3.41Å; L445-I635 HydrophobicContact CD1-CG2 3.75Å; L445-I635 HydrophobicContact CD2-CB 4.23Å; L445-I635 HydrophobicContact CD2-CG2 3.89Å; L445-I635 HydrophobicContact CG-CB 4.48Å; L445-I635 HydrophobicContact CG-CG2 3.61Å; L445-G636 WeakPolarHBondContact CD1-O 3.29Å; L445-L637 HydrophobicContact CD1-CD2 3.82Å; L445-L637 HydrophobicContact CD1-CG 4.45Å; L445-L637 HydrophobicContact CD2-CD2 4.05Å; L445-L637 HydrophobicContact CG-CD2 4.44Å
446	S	97	Very high	94.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-48.7	-43.7	172.1	178	0	0	0	0	113.1	L436 E444 L450 Y468	L436-S446 WeakPolarHBondContact O-CB 3.35Å; E444-S446 VanDerWaalsContact C-N 3.28Å; E444-S446 PolarHBondContact O-N 2.86Å; S446-L450 VanDerWaalsContact O-CB 3.31Å; S446-L450 WeakPolarHBondContact O-CB 3.47Å; S446-L450 WeakPolarHBondContact O-CG 3.36Å; S446-L450 PolarHBondContact O-N 2.71Å; S446-L450 WeakPolarHBondContact OG-CD1 3.49Å; S446-Y468 VanDerWaalsContact C-OH 3.31Å; S446-Y468 VanDerWaalsContact CB-OH 3.24Å; S446-Y468 WeakPolarHBondContact CB-OH 3.21Å; S446-Y468 WeakPolarHBondContact OG-CE1 3.11Å; S446-Y468 PolarHBondContact OG-OH 3.09Å
447	P	97	Very high	94.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.8	-53.4	177.4	-23.8	34.1	0	0	0	112.3	D442 L445 C449 L450 D451 Y468 F521	D442-P447 HydrophobicContact CB-CG 3.82Å; L445-P447 VanDerWaalsContact C-CD 3.43Å; L445-P447 VanDerWaalsContact C-N 3.27Å; P447-C449 VanDerWaalsContact C-N 3.34Å; P447-C449 PolarHBondContact O-N 3.42Å; P447-L450 PolarHBondContact O-N 2.89Å; P447-D451 WeakPolarHBondContact O-CB 3.44Å; P447-D451 PolarHBondContact O-N 3.47Å; P447-Y468 VanDerWaalsContact CD-OH 3.24Å; P447-Y468 WeakPolarHBondContact CD-OH 3.32Å; P447-Y468 HydrophobicContact CG-CE2 4.19Å; P447-Y468 WeakPolarHBondContact CG-OH 3.34Å; P447-Y468 VanDerWaalsContact N-OH 3.09Å; P447-F521 HydrophobicContact CB-CD1 3.67Å; P447-F521 HydrophobicContact CB-CE1 3.82Å; P447-F521 HydrophobicContact CB-CG 4.34Å; P447-F521 HydrophobicContact CG-CD1 3.55Å; P447-F521 HydrophobicContact CG-CD2 4.12Å; P447-F521 HydrophobicContact CG-CE1 3.63Å; P447-F521 HydrophobicContact CG-CE2 4.18Å; P447-F521 HydrophobicContact CG-CG 3.82Å; P447-F521 HydrophobicContact CG-CZ 3.95Å
448	E	95.8	Very high	94.7	Very high	23 Å²	23	16 Å²	16	11%	0.107	8%	0.082	C	C	.	.	H	α-helix	trans	-66.2	-34.1	-177.5	-68.5	79	-168.3	0	0	113.3	L445 G452 N532 R604 V611 L637	L445-E448 WeakPolarHBondContact CD2-OE2 3.46Å; L445-E448 PolarHBondContact O-N 3.03Å; E448-G452 PolarHBondContact O-N 2.72Å; E448-N532 WeakPolarHBondContact OE1-CB 2.99Å; E448-R604 IonicContact OE1-CZ 2.68Å; E448-R604 IonicContact OE1-NH1 3.43Å; E448-R604 PolarHBondContact OE1-NH1 3Å; E448-R604 IonicContact OE1-NH2 3.8Å; E448-R604 PolarHBondContact OE1-NH2 2.93Å; E448-R604 IonicContact OE2-CZ 3.35Å; E448-R604 IonicContact OE2-NH2 3.14Å; E448-R604 PolarHBondContact OE2-NH2 2.85Å; E448-V611 HydrophobicContact CG-CG2 4.45Å; E448-L637 HydrophobicContact CB-CD2 3.66Å; E448-L637 HydrophobicContact CG-CD2 3.68Å
449	C	95.5	Very high	94.6	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.02	12%	0.115	C	C	.	.	H	α-helix	trans	-68.6	-48.2	175.9	-72.9	0	0	0	0	111.8	M420 L436 L445 P447 A453	M420-C449 HydrophobicContact SD-CB 3.73Å; L436-C449 HydrophobicContact CD1-CB 3.72Å; L445-C449 VanDerWaalsContact O-CB 3.3Å; L445-C449 WeakPolarHBondContact O-CB 3.25Å; L445-C449 PolarHBondContact O-N 2.87Å; L445-C449 PolarHBondContact O-SG 2.82Å; P447-C449 VanDerWaalsContact C-N 3.34Å; P447-C449 PolarHBondContact O-N 3.42Å; C449-A453 WeakPolarHBondContact O-CB 3.34Å; C449-A453 PolarHBondContact O-N 3.41Å
450	L	95.7	Very high	94.6	Very high	6 Å²	6	26.5 Å²	26.5	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-71.5	-43.2	-178.8	-72.6	176.1	0	0	0	112.2	L364 I432 S446 P447 G452 A453 Q454 H523	L364-L450 HydrophobicContact CD1-CD2 4.47Å; I432-L450 HydrophobicContact CG2-CD2 3.83Å; S446-L450 VanDerWaalsContact O-CB 3.31Å; S446-L450 WeakPolarHBondContact O-CB 3.47Å; S446-L450 WeakPolarHBondContact O-CG 3.36Å; S446-L450 PolarHBondContact O-N 2.71Å; S446-L450 WeakPolarHBondContact OG-CD1 3.49Å; P447-L450 PolarHBondContact O-N 2.89Å; L450-G452 VanDerWaalsContact C-N 3.3Å; L450-G452 PolarHBondContact O-N 2.55Å; L450-A453 CarbonylContact O-C 3.57Å; L450-A453 PolarHBondContact O-N 3Å; L450-Q454 PolarHBondContact O-N 2.88Å; L450-H523 HydrophobicContact CD1-CB 4.45Å
451	D	94.1	Very high	94.5	Very high	15 Å²	15	26.8 Å²	26.8	8%	0.08	14%	0.141	C	C	.	.	H	α-helix	trans	-61.5	-42.2	174.8	-70.3	-21.5	0	0	0	110.8	P447 A453 Q454 H523 N525 I530 N532	P447-D451 WeakPolarHBondContact O-CB 3.44Å; P447-D451 PolarHBondContact O-N 3.47Å; D451-A453 VanDerWaalsContact C-N 3.3Å; D451-A453 PolarHBondContact O-N 2.92Å; D451-Q454 WeakPolarHBondContact O-CB 3.19Å; D451-Q454 PolarHBondContact O-N 2.83Å; D451-H523 IonicContact OD1-CE1 2.97Å; D451-H523 IonicContact OD1-ND1 2.7Å; D451-N525 WeakPolarHBondContact OD1-CB 3.31Å; D451-I530 HydrophobicContact CB-CD1 3.81Å; D451-I530 HydrophobicContact CB-CG2 3.97Å; D451-I530 WeakPolarHBondContact OD2-CG2 3.49Å; D451-N532 PolarHBondContact OD2-ND2 3.16Å; D451-N532 PolarHBondContact OD2-OD1 3.26Å
452	G	90.1	Very high	94.5	Very high	26 Å²	26	28 Å²	28	27%	0.268	15%	0.148	S	C	.	.	H	α-helix	trans	-62.5	-34.5	176.2	0	0	0	0	0	113	E448 L450 H455	E448-G452 PolarHBondContact O-N 2.72Å; L450-G452 VanDerWaalsContact C-N 3.3Å; L450-G452 PolarHBondContact O-N 2.55Å; G452-H455 PolarHBondContact O-CE1 2.94Å; G452-H455 PolarHBondContact O-ND1 2.82Å
453	A	90.6	Very high	94.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-90.7	-6	179.2	0	0	0	0	0	114.2	L364 M420 C449 L450 D451 H455 F456	L364-A453 HydrophobicContact CD1-CB 3.35Å; M420-A453 HydrophobicContact CG-CB 4.48Å; C449-A453 WeakPolarHBondContact O-CB 3.34Å; C449-A453 PolarHBondContact O-N 3.41Å; L450-A453 CarbonylContact O-C 3.57Å; L450-A453 PolarHBondContact O-N 3Å; D451-A453 VanDerWaalsContact C-N 3.3Å; D451-A453 PolarHBondContact O-N 2.92Å; A453-H455 PolarHBondContact O-N 3.5Å; A453-H455 VanDerWaalsContact O-N 3.12Å; A453-F456 HydrophobicContact CB-CD2 3.91Å; A453-F456 HydrophobicContact CB-CE2 3.88Å; A453-F456 WeakPolarHBondContact O-CB 3.4Å; A453-F456 WeakPolarHBondContact O-CD2 3.47Å; A453-F456 WeakPolarHBondContact O-CG 3.46Å; A453-F456 PolarHBondContact O-N 2.85Å
454	Q	88.3	Confident	94.7	Very high	37 Å²	37	28.2 Å²	28.2	17%	0.173	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-63	-24.6	-173.4	-171.9	174.6	-51.2	0	0	113.7	L450 D451 F456 L457 P524 N525	L450-Q454 PolarHBondContact O-N 2.88Å; D451-Q454 WeakPolarHBondContact O-CB 3.19Å; D451-Q454 PolarHBondContact O-N 2.83Å; Q454-F456 PolarHBondContact O-N 2.8Å; Q454-F456 VanDerWaalsContact O-N 3.14Å; Q454-L457 VanDerWaalsContact O-CB 3.26Å; Q454-L457 WeakPolarHBondContact O-CB 3.38Å; Q454-L457 PolarHBondContact O-N 3.01Å; Q454-P524 HydrophobicContact CG-CB 4.12Å; Q454-N525 VanDerWaalsContact CD-O 3.26Å; Q454-N525 VanDerWaalsContact NE2-C 3.29Å; Q454-N525 PolarHBondContact NE2-O 2.89Å; Q454-N525 PolarHBondContact OE1-O 3.12Å
455	H	88.4	Confident	94.8	Very high	110 Å²	110	27 Å²	27	51%	0.509	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-65	-14.8	176.4	65.6	-81.9	0	0	0	113.5	G452 A453	G452-H455 PolarHBondContact O-CE1 2.94Å; G452-H455 PolarHBondContact O-ND1 2.82Å; A453-H455 PolarHBondContact O-N 3.5Å; A453-H455 VanDerWaalsContact O-N 3.12Å
456	F	89.6	Confident	94.8	Very high	8 Å²	8	28 Å²	28	4%	0.035	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-81.7	-12.1	168.2	-46.1	-47.3	0	0	0	113.3	M362 M420 W423 A425 K428 A429 A453 Q454	M362-F456 HydrophobicContact CE-CB 4.33Å; M362-F456 HydrophobicContact SD-CB 3.97Å; M362-F456 HydrophobicContact SD-CG 4.48Å; M420-F456 WeakPolarHBondContact O-CE2 3.31Å; M420-F456 WeakPolarHBondContact O-CZ 3.23Å; W423-F456 HydrophobicContact CE3-CE2 4.24Å; W423-F456 HydrophobicContact CE3-CZ 4.49Å; W423-F456 WeakPolarHBondContact O-CE1 3.32Å; W423-F456 WeakPolarHBondContact O-CZ 3.26Å; A425-F456 HydrophobicContact CB-CB 4.19Å; A425-F456 HydrophobicContact CB-CD1 3.48Å; A425-F456 VanDerWaalsContact CB-CD1 3.48Å; A425-F456 HydrophobicContact CB-CE1 4.04Å; A425-F456 HydrophobicContact CB-CG 3.85Å; K428-F456 CarbonylContact C-O 3.53Å; K428-F456 WeakPolarHBondContact CA-O 3.45Å; K428-F456 VanDerWaalsContact CB-O 3.27Å; K428-F456 WeakPolarHBondContact CB-O 3.48Å; A429-F456 PolarHBondContact N-O 2.85Å; A453-F456 HydrophobicContact CB-CD2 3.91Å; A453-F456 HydrophobicContact CB-CE2 3.88Å; A453-F456 WeakPolarHBondContact O-CB 3.4Å; A453-F456 WeakPolarHBondContact O-CD2 3.47Å; A453-F456 WeakPolarHBondContact O-CG 3.46Å; A453-F456 PolarHBondContact O-N 2.85Å; Q454-F456 PolarHBondContact O-N 2.8Å; Q454-F456 VanDerWaalsContact O-N 3.14Å
457	L	94.6	Very high	94.9	Very high	10 Å²	10	31.9 Å²	31.9	5%	0.052	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	141.3	-176.3	-162.7	67.8	0	0	0	111	A429 I432 Q454 P524	A429-L457 HydrophobicContact CB-CD1 4.26Å; I432-L457 HydrophobicContact CB-CD1 4.37Å; I432-L457 HydrophobicContact CD1-CB 4.06Å; I432-L457 HydrophobicContact CD1-CD1 3.93Å; I432-L457 HydrophobicContact CD1-CG 4.47Å; I432-L457 HydrophobicContact CG1-CD1 3.89Å; Q454-L457 VanDerWaalsContact O-CB 3.26Å; Q454-L457 WeakPolarHBondContact O-CB 3.38Å; Q454-L457 PolarHBondContact O-N 3.01Å; L457-P524 HydrophobicContact CD2-CB 3.66Å; L457-P524 HydrophobicContact CD2-CG 3.87Å
458	K	97	Very high	94.9	Very high	65 Å²	65	32 Å²	32	28%	0.283	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	160.6	169.2	-69.3	178.9	-170.5	172.7	0	111.1	K428 A429 D430 D460 G461	K428-K458 HydrophobicContact CB-CG 3.61Å; K428-K458 HydrophobicContact CD-CG 4.44Å; K428-K458 WeakPolarHBondContact O-CE 3.45Å; A429-K458 WeakPolarHBondContact O-CG 3.5Å; A429-K458 PolarHBondContact O-N 3Å; D430-K458 WeakPolarHBondContact OD1-CD 3.43Å; D430-K458 WeakPolarHBondContact OD1-CE 3.4Å; D430-K458 IonicContact OD1-NZ 2.76Å; D430-K458 PolarHBondContact OD1-NZ 3.31Å; D430-K458 IonicContact OD2-NZ 2.63Å; D430-K458 PolarHBondContact OD2-NZ 3.05Å; K458-D460 WeakPolarHBondContact CB-OD1 3.38Å; K458-D460 PolarHBondContact O-N 3.31Å; K458-G461 PolarHBondContact O-N 3.04Å
459	D	94.5	Very high	95.1	Very high	128 Å²	128	31.9 Å²	31.9	68%	0.684	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	-24.9	-179	-67	-11.2	0	0	0	112.6	R526	D459-R526 PolarHBondContact O-NH1 2.89Å; D459-R526 PolarHBondContact O-NH2 2.86Å
460	D	95.7	Very high	95.2	Very high	99 Å²	99	31.8 Å²	31.8	53%	0.529	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	5.5	172.9	70.3	-51.8	0	0	0	112.7	R348 K458	R348-D460 IonicContact CZ-OD2 2.62Å; R348-D460 PolarHBondContact NH1-O 3.33Å; R348-D460 IonicContact NH1-OD2 3.05Å; R348-D460 IonicContact NH2-OD2 2.72Å; R348-D460 PolarHBondContact NH2-OD2 2.89Å; K458-D460 WeakPolarHBondContact CB-OD1 3.38Å; K458-D460 PolarHBondContact O-N 3.31Å
461	G	97	Very high	95.3	Very high	5 Å²	5	32.1 Å²	32.1	5%	0.052	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	158.1	-174.7	0	0	0	0	0	113.3	D430 K458	D430-G461 CarbonylContact O-C 3.55Å; D430-G461 WeakPolarHBondContact O-CA 3.38Å; K458-G461 PolarHBondContact O-N 3.04Å
462	V	97.7	Very high	95.6	Very high	27 Å²	27	31.4 Å²	31.4	16%	0.164	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143	-173.9	176.3	0	0	0	0	110.6	D430 I431 I432 I464 Y560	D430-V462 PolarHBondContact O-N 2.88Å; I431-V462 CarbonylContact C-O 3.59Å; I431-V462 WeakPolarHBondContact CA-O 3.38Å; I432-V462 PolarHBondContact N-O 3.1Å; V462-I464 HydrophobicContact CG1-CG1 4.37Å; V462-Y560 HydrophobicContact CG1-CD2 3.9Å; V462-Y560 HydrophobicContact CG1-CE2 3.79Å
463	S	98	Very high	96	Very high	5 Å²	5	30.1 Å²	30.1	4%	0.035	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	142.2	167.5	-179.2	0	0	0	0	110.5	I432 P465 G466 H523	I432-S463 CarbonylContact O-C 3.56Å; I432-S463 WeakPolarHBondContact O-CA 3.19Å; S463-P465 CarbonylContact C-O 3.56Å; S463-P465 CarbonylContact O-C 3.54Å; S463-P465 PolarHBondContact OG-O 2.89Å; S463-G466 WeakPolarHBondContact O-CA 3.29Å; S463-G466 PolarHBondContact O-N 3.24Å; S463-H523 WeakPolarHBondContact OG-CB 3.37Å
464	I	98.4	Very high	96.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	112.2	170.5	-59.7	179.3	0	0	0	107.3	Y337 A340 I341 C344 I431 I432 V433 S434 V462 L559	Y337-I464 HydrophobicContact CD1-CG2 3.84Å; Y337-I464 HydrophobicContact CE1-CG2 3.94Å; A340-I464 HydrophobicContact CB-CD1 4.31Å; A340-I464 HydrophobicContact CB-CG2 4.1Å; I341-I464 HydrophobicContact CG1-CD1 3.86Å; C344-I464 HydrophobicContact CB-CD1 4.15Å; I431-I464 HydrophobicContact CG2-CD1 4.17Å; I431-I464 HydrophobicContact CG2-CG1 4.49Å; I432-I464 PolarHBondContact O-N 3.31Å; V433-I464 CarbonylContact C-O 3.6Å; V433-I464 VanDerWaalsContact CA-O 3.29Å; V433-I464 WeakPolarHBondContact CA-O 3.44Å; V433-I464 HydrophobicContact CG1-CB 4.37Å; V433-I464 HydrophobicContact CG1-CG2 4.39Å; V433-I464 HydrophobicContact CG2-CB 4.36Å; S434-I464 PolarHBondContact N-O 3.23Å; V462-I464 HydrophobicContact CG1-CG1 4.37Å; I464-L559 HydrophobicContact CG2-CB 4.04Å
465	P	98.2	Very high	96.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	S	Bend	cis	-68.2	152	3.9	30.2	-37.1	0	0	0	113.6	S434 L437 S463 Y468 T557 L559	S434-P465 WeakPolarHBondContact O-CD 3.42Å; L437-P465 HydrophobicContact CD1-CG 4.43Å; S463-P465 CarbonylContact C-O 3.56Å; S463-P465 CarbonylContact O-C 3.54Å; S463-P465 PolarHBondContact OG-O 2.89Å; P465-Y468 HydrophobicContact CB-CD1 4.23Å; P465-Y468 HydrophobicContact CG-CD1 3.77Å; P465-Y468 HydrophobicContact CG-CE1 3.93Å; P465-T557 WeakPolarHBondContact CB-OG1 3.29Å; P465-L559 HydrophobicContact CB-CD2 3.96Å
466	G	97.7	Very high	97.3	Very high	21 Å²	21	23.3 Å²	23.3	22%	0.216	13%	0.126	C	C	.	.			trans	-83.4	-33.2	173.4	0	0	0	0	0	112.1	S463 S522 H523 V558 L559	S463-G466 WeakPolarHBondContact O-CA 3.29Å; S463-G466 PolarHBondContact O-N 3.24Å; G466-S522 CarbonylContact O-C 3.57Å; G466-S522 WeakPolarHBondContact O-CA 3.47Å; G466-H523 PolarHBondContact O-N 2.76Å; G466-V558 PolarHBondContact N-O 2.84Å; G466-L559 PolarHBondContact N-O 3.24Å; G466-L559 VanDerWaalsContact N-O 3.12Å
467	E	98.1	Very high	97.7	Very high	81 Å²	81	23 Å²	23	38%	0.379	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	160.9	171.1	58.3	175.7	-150.1	0	0	112.4	F521 T557 V558	E467-F521 CarbonylContact C-O 3.48Å; E467-F521 WeakPolarHBondContact CA-O 3.49Å; E467-F521 WeakPolarHBondContact CB-O 3.41Å; E467-T557 CarbonylContact O-C 3.33Å; E467-T557 VanDerWaalsContact O-CA 3.32Å; E467-T557 WeakPolarHBondContact O-CA 3.33Å; E467-T557 WeakPolarHBondContact O-CB 3.43Å; E467-T557 PolarHBondContact O-OG1 2.86Å; E467-V558 HydrophobicContact CG-CB 3.68Å; E467-V558 HydrophobicContact CG-CG2 3.89Å; E467-V558 PolarHBondContact N-O 3.46Å; E467-V558 VanDerWaalsContact N-O 3.17Å; E467-V558 PolarHBondContact O-N 2.74Å
468	Y	98.4	Very high	97.8	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.008	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	151.9	171.4	44.2	-97.5	0	0	0	111.6	L437 A441 S446 P447 P465 T520 F521 H523 E556	L437-Y468 HydrophobicContact CD2-CD1 3.69Å; L437-Y468 HydrophobicContact CD2-CD2 4.37Å; L437-Y468 HydrophobicContact CD2-CE1 3.78Å; L437-Y468 HydrophobicContact CD2-CE2 4.44Å; L437-Y468 HydrophobicContact CD2-CG 4Å; A441-Y468 HydrophobicContact CB-CD2 3.56Å; A441-Y468 HydrophobicContact CB-CE2 4.25Å; A441-Y468 HydrophobicContact CB-CG 4.04Å; S446-Y468 VanDerWaalsContact C-OH 3.31Å; S446-Y468 VanDerWaalsContact CB-OH 3.24Å; S446-Y468 WeakPolarHBondContact CB-OH 3.21Å; S446-Y468 WeakPolarHBondContact OG-CE1 3.11Å; S446-Y468 PolarHBondContact OG-OH 3.09Å; P447-Y468 VanDerWaalsContact CD-OH 3.24Å; P447-Y468 WeakPolarHBondContact CD-OH 3.32Å; P447-Y468 HydrophobicContact CG-CE2 4.19Å; P447-Y468 WeakPolarHBondContact CG-OH 3.34Å; P447-Y468 VanDerWaalsContact N-OH 3.09Å; P465-Y468 HydrophobicContact CB-CD1 4.23Å; P465-Y468 HydrophobicContact CG-CD1 3.77Å; P465-Y468 HydrophobicContact CG-CE1 3.93Å; Y468-T520 WeakPolarHBondContact O-CA 3.27Å; Y468-F521 HydrophobicContact CD2-CB 4.03Å; Y468-F521 AromaticContact CD2-CD2 3.97Å; Y468-F521 HydrophobicContact CD2-CD2 3.97Å; Y468-F521 HydrophobicContact CD2-CG 4.42Å; Y468-F521 HydrophobicContact CE2-CB 3.49Å; Y468-F521 VanDerWaalsContact CE2-CB 3.49Å; Y468-F521 AromaticContact CE2-CD2 3.55Å; Y468-F521 HydrophobicContact CE2-CD2 3.55Å; Y468-F521 AromaticContact CE2-CG 3.75Å; Y468-F521 HydrophobicContact CE2-CG 3.75Å; Y468-F521 PolarHBondContact N-O 3.26Å; Y468-F521 PolarHBondContact O-N 2.93Å; Y468-H523 AromaticContact CE1-CD2 3.58Å; Y468-H523 AromaticContact CE1-NE2 3.62Å; Y468-H523 AromaticContact CZ-CD2 3.94Å; Y468-H523 AromaticContact CZ-NE2 3.48Å; Y468-H523 PolarHBondContact OH-NE2 2.73Å; Y468-E556 CarbonylContact C-O 3.53Å; Y468-E556 VanDerWaalsContact CA-O 3.22Å; Y468-E556 WeakPolarHBondContact CA-O 3.42Å; Y468-E556 WeakPolarHBondContact CB-O 3.35Å
469	T	98.5	Very high	97.8	Very high	22 Å²	22	22.9 Å²	22.9	14%	0.135	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.6	179.9	-60.7	0	0	0	0	110.4	F471 P517 F519 T520 F555 E556	T469-F471 HydrophobicContact CG2-CD2 4.15Å; T469-F471 HydrophobicContact CG2-CE2 3.62Å; T469-F471 HydrophobicContact CG2-CZ 3.87Å; T469-F471 VanDerWaalsContact O-CD2 3.25Å; T469-F471 WeakPolarHBondContact O-CD2 3.22Å; T469-F471 VanDerWaalsContact O-CE2 3.31Å; T469-F471 WeakPolarHBondContact O-CE2 3.23Å; T469-P517 HydrophobicContact CG2-CB 3.73Å; T469-F519 CarbonylContact C-O 3.42Å; T469-F519 WeakPolarHBondContact CA-O 3.07Å; T469-T520 WeakPolarHBondContact CG2-OG1 3.31Å; T469-T520 WeakPolarHBondContact OG1-CG2 3.38Å; T469-T520 PolarHBondContact OG1-OG1 2.91Å; T469-F555 VanDerWaalsContact O-CA 3.27Å; T469-F555 WeakPolarHBondContact O-CA 3.3Å; T469-E556 PolarHBondContact N-O 3.3Å; T469-E556 PolarHBondContact O-N 2.73Å
470	S	98.6	Very high	98	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	143.9	169.4	-19.6	0	0	0	0	109.5	F440 D442 C518 F519 Y554	F440-S470 VanDerWaalsContact O-CB 3.24Å; F440-S470 WeakPolarHBondContact O-CB 3.24Å; F440-S470 PolarHBondContact O-OG 2.86Å; D442-S470 PolarHBondContact OD1-OG 3.32Å; S470-C518 WeakPolarHBondContact O-CA 3.23Å; S470-C518 WeakPolarHBondContact O-CB 3.46Å; S470-C518 PolarHBondContact O-N 2.96Å; S470-F519 PolarHBondContact N-O 3.41Å; S470-F519 PolarHBondContact OG-O 3.2Å; S470-Y554 CarbonylContact C-O 3.56Å; S470-Y554 WeakPolarHBondContact CA-O 3.35Å
471	F	98.6	Very high	98.1	Very high	13 Å²	13	13.3 Å²	13.3	6%	0.057	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.9	-179.5	-70.1	-103.7	0	0	0	111.2	F440 T469 P515 Q516 P517 G553 Y554 E556	F440-F471 WeakPolarHBondContact CE2-O 2.76Å; T469-F471 HydrophobicContact CG2-CD2 4.15Å; T469-F471 HydrophobicContact CG2-CE2 3.62Å; T469-F471 HydrophobicContact CG2-CZ 3.87Å; T469-F471 VanDerWaalsContact O-CD2 3.25Å; T469-F471 WeakPolarHBondContact O-CD2 3.22Å; T469-F471 VanDerWaalsContact O-CE2 3.31Å; T469-F471 WeakPolarHBondContact O-CE2 3.23Å; F471-P515 HydrophobicContact CB-CB 4.08Å; F471-Q516 CarbonylContact C-O 3.38Å; F471-Q516 WeakPolarHBondContact CA-O 3.39Å; F471-Q516 VanDerWaalsContact CD1-C 3.45Å; F471-P517 HydrophobicContact CD1-CB 4.17Å; F471-P517 HydrophobicContact CE1-CB 3.8Å; F471-P517 HydrophobicContact CE1-CG 4.39Å; F471-P517 HydrophobicContact CZ-CB 4.25Å; F471-G553 CarbonylContact O-C 3.54Å; F471-G553 VanDerWaalsContact O-CA 3.26Å; F471-G553 WeakPolarHBondContact O-CA 3.49Å; F471-Y554 PolarHBondContact N-O 3.41Å; F471-Y554 PolarHBondContact O-N 3.48Å; F471-E556 HydrophobicContact CD2-CG 4.18Å; F471-E556 HydrophobicContact CE2-CB 3.89Å; F471-E556 HydrophobicContact CE2-CG 3.59Å; F471-E556 HydrophobicContact CZ-CG 4.19Å; F471-E556 VanDerWaalsContact CZ-OE2 3.31Å; F471-E556 WeakPolarHBondContact CZ-OE2 3.37Å
472	L	98.5	Very high	98.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141.9	176.2	-74.3	168.5	0	0	0	111.5	F440 P515 Q516 C518 L538 F540 F551 A552 F584 F602	F440-L472 HydrophobicContact CE2-CD2 3.73Å; F440-L472 HydrophobicContact CE2-CG 3.9Å; F440-L472 HydrophobicContact CZ-CD1 4.22Å; F440-L472 HydrophobicContact CZ-CD2 3.83Å; F440-L472 HydrophobicContact CZ-CG 3.77Å; L472-P515 CarbonylContact O-C 3.47Å; L472-P515 WeakPolarHBondContact O-CA 3.27Å; L472-Q516 PolarHBondContact N-O 3.27Å; L472-Q516 PolarHBondContact O-N 3.04Å; L472-C518 HydrophobicContact CD1-CB 4.14Å; L472-C518 HydrophobicContact CG-CB 4.23Å; L472-L538 HydrophobicContact CB-CD1 3.85Å; L472-L538 HydrophobicContact CD1-CD1 3.99Å; L472-L538 HydrophobicContact CG-CD1 4.46Å; L472-F540 HydrophobicContact CB-CZ 4.46Å; L472-F540 WeakPolarHBondContact O-CE1 3.31Å; L472-F540 WeakPolarHBondContact O-CZ 2.94Å; L472-F551 HydrophobicContact CD2-CB 3.97Å; L472-A552 CarbonylContact C-O 3.59Å; L472-A552 WeakPolarHBondContact CA-O 3.44Å; L472-F584 HydrophobicContact CD2-CD2 3.71Å; L472-F584 HydrophobicContact CD2-CE2 3.89Å; L472-F602 HydrophobicContact CD1-CB 4.16Å; L472-F602 HydrophobicContact CD1-CD1 4.12Å; L472-F602 HydrophobicContact CD1-CD2 3.39Å; L472-F602 HydrophobicContact CD1-CE1 4.37Å; L472-F602 HydrophobicContact CD1-CE2 3.69Å; L472-F602 HydrophobicContact CD1-CG 3.63Å; L472-F602 HydrophobicContact CD1-CZ 4.17Å; L472-F602 HydrophobicContact CD2-CE2 4.15Å; L472-F602 HydrophobicContact CD2-CZ 4.43Å
473	A	98.5	Very high	98.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	135.1	170.6	0	0	0	0	0	110.7	Q511 P515 F551 A552 Y554	A473-Q511 HydrophobicContact CB-CG 4Å; A473-P515 HydrophobicContact CB-CB 4.04Å; A473-P515 HydrophobicContact CB-CG 3.94Å; A473-F551 CarbonylContact O-C 3.58Å; A473-F551 VanDerWaalsContact O-CA 3.22Å; A473-F551 WeakPolarHBondContact O-CA 3.37Å; A473-A552 PolarHBondContact N-O 2.97Å; A473-A552 PolarHBondContact O-N 3.02Å; A473-Y554 HydrophobicContact CB-CE2 4.11Å
474	P	98.6	Very high	98.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	137.6	174.2	28.5	-34.5	0	0	0	110.8	L512 F540 L548 F551 I598	P474-L512 HydrophobicContact CB-CB 4.3Å; P474-L512 HydrophobicContact CB-CD1 4.33Å; P474-L512 HydrophobicContact CG-CB 4.06Å; P474-L512 PolarHBondContact O-N 2.92Å; P474-F540 VanDerWaalsContact CD-CG 3.45Å; P474-F540 HydrophobicContact CG-CB 3.64Å; P474-F540 HydrophobicContact CG-CD1 3.98Å; P474-F540 HydrophobicContact CG-CD2 4.01Å; P474-F540 HydrophobicContact CG-CG 3.62Å; P474-L548 HydrophobicContact CB-CD1 3.66Å; P474-F551 HydrophobicContact CB-CD1 4.13Å; P474-F551 HydrophobicContact CB-CE1 3.97Å; P474-I598 HydrophobicContact CB-CD1 3.86Å; P474-I598 HydrophobicContact CG-CD1 4.3Å
475	I	98.6	Very high	98	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.8	179.1	69.3	165.2	0	0	0	113	L480 L506 F509 H510 H549 G550 A552 L583	I475-L480 HydrophobicContact CD1-CD1 4.09Å; I475-L506 HydrophobicContact CD1-CD2 4.1Å; I475-F509 HydrophobicContact CB-CD2 4.26Å; I475-F509 HydrophobicContact CG2-CD2 3.93Å; I475-F509 HydrophobicContact CG2-CE2 4.31Å; I475-H510 WeakPolarHBondContact CA-O 3.42Å; I475-H549 PolarHBondContact O-N 2.97Å; I475-G550 WeakPolarHBondContact CG1-O 3.36Å; I475-G550 PolarHBondContact N-O 2.76Å; I475-G550 PolarHBondContact O-N 3Å; I475-A552 HydrophobicContact CG2-CB 3.68Å; I475-L583 HydrophobicContact CD1-CD1 3.61Å; I475-L583 HydrophobicContact CG1-CD1 4.35Å
476	S	98.4	Very high	97.8	Very high	2 Å²	2	24 Å²	24	1%	0.014	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.9	164.4	-179.1	0	0	0	0	110.1	F509 H510 V547 H549	S476-F509 CarbonylContact O-C 3.54Å; S476-F509 WeakPolarHBondContact O-CA 3.24Å; S476-H510 PolarHBondContact N-O 2.98Å; S476-H510 PolarHBondContact O-N 2.76Å; S476-V547 WeakPolarHBondContact CA-O 3.38Å; S476-V547 WeakPolarHBondContact CB-O 3.47Å; S476-V547 PolarHBondContact OG-O 2.91Å; S476-H549 WeakPolarHBondContact CA-ND1 3.39Å; S476-H549 PolarHBondContact OG-CE1 2.82Å; S476-H549 PolarHBondContact OG-ND1 3.15Å
477	S	98.2	Very high	97.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	13%	0.133	C	C	.	.			trans	-158.8	104.1	171	178.4	0	0	0	0	110.4	K479 L480 Y481 N508 H549	S477-K479 PolarHBondContact O-N 3.47Å; S477-L480 PolarHBondContact O-N 3.31Å; S477-L480 WeakPolarHBondContact OG-CG 3.3Å; S477-L480 PolarHBondContact OG-N 3.21Å; S477-Y481 WeakPolarHBondContact O-CB 3.33Å; S477-Y481 PolarHBondContact O-N 3.25Å; S477-N508 WeakPolarHBondContact CB-O 3.35Å; S477-N508 PolarHBondContact OG-O 2.78Å; S477-H549 PolarHBondContact N-ND1 3.24Å; S477-H549 VanDerWaalsContact N-ND1 3.15Å
478	S	96.9	Very high	97.5	Very high	4 Å²	4	29 Å²	29	3%	0.028	14%	0.143	C	C	.	.	H	α-helix	trans	-63.4	-27.5	173.1	-62.1	0	0	0	0	111.7	N482	S478-N482 PolarHBondContact O-N 3.47Å; S478-N482 PolarHBondContact O-ND2 3.31Å; S478-N482 VanDerWaalsContact O-ND2 3.13Å
479	K	97.2	Very high	97.3	Very high	69 Å²	69	33.5 Å²	33.5	30%	0.3	16%	0.164	S	C	.	.	H	α-helix	trans	-67.8	-57.6	176.7	-175.4	179.1	172.7	-166.6	0	110.5	D306 S477 Y481 N482 E483 N508	D306-K479 HydrophobicContact CB-CD 3.96Å; D306-K479 VanDerWaalsContact OD2-CD 3.3Å; D306-K479 WeakPolarHBondContact OD2-CD 3.36Å; D306-K479 WeakPolarHBondContact OD2-CE 3.41Å; D306-K479 IonicContact OD2-NZ 3.81Å; D306-K479 PolarHBondContact OD2-NZ 3.38Å; S477-K479 PolarHBondContact O-N 3.47Å; K479-Y481 VanDerWaalsContact C-N 3.27Å; K479-Y481 PolarHBondContact O-N 3.26Å; K479-N482 PolarHBondContact O-N 3.34Å; K479-E483 WeakPolarHBondContact O-CG 3.42Å; K479-E483 PolarHBondContact O-N 2.86Å; K479-N508 HydrophobicContact CB-CB 4.42Å; K479-N508 HydrophobicContact CD-CB 3.9Å
480	L	98.1	Very high	96.9	Very high	4 Å²	4	42 Å²	42	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-38.2	-179.9	-67.2	170.9	0	0	0	111.8	D306 L308 I475 S477 N482 E483 V484 V504 L506 L583	D306-L480 HydrophobicContact CB-CD2 3.72Å; D306-L480 HydrophobicContact CB-CG 4.48Å; L308-L480 HydrophobicContact CD2-CD2 3.94Å; I475-L480 HydrophobicContact CD1-CD1 4.09Å; S477-L480 PolarHBondContact O-N 3.31Å; S477-L480 WeakPolarHBondContact OG-CG 3.3Å; S477-L480 PolarHBondContact OG-N 3.21Å; L480-N482 VanDerWaalsContact C-N 3.29Å; L480-N482 PolarHBondContact O-N 2.95Å; L480-E483 PolarHBondContact O-N 3.31Å; L480-V484 WeakPolarHBondContact O-CG2 3.42Å; L480-V484 PolarHBondContact O-N 3.04Å; L480-V504 HydrophobicContact CD2-CG2 3.82Å; L480-L506 HydrophobicContact CD1-CD2 3.49Å; L480-L506 VanDerWaalsContact CD1-CD2 3.49Å; L480-L583 HydrophobicContact CB-CD2 4.08Å; L480-L583 HydrophobicContact CD1-CD2 4.33Å
481	Y	98	Very high	96.6	Very high	22 Å²	22	49.9 Å²	49.9	9%	0.086	24%	0.242	C	C	.	.	H	α-helix	trans	-55.7	-44.6	173.4	178.1	-109.5	0	0	0	112.3	Y198 S477 K479 V484 R485 F498 H549 K587 P589	Y198-Y481 HydrophobicContact CD1-CD1 4.28Å; Y198-Y481 HydrophobicContact CD2-CE1 4.41Å; Y198-Y481 HydrophobicContact CG-CD1 4.24Å; Y198-Y481 HydrophobicContact CG-CE1 4.14Å; S477-Y481 WeakPolarHBondContact O-CB 3.33Å; S477-Y481 PolarHBondContact O-N 3.25Å; K479-Y481 VanDerWaalsContact C-N 3.27Å; K479-Y481 PolarHBondContact O-N 3.26Å; Y481-V484 PolarHBondContact O-N 3.38Å; Y481-R485 HydrophobicContact CE1-CG 4.34Å; Y481-R485 WeakPolarHBondContact O-CG 3.17Å; Y481-R485 PolarHBondContact O-N 2.96Å; Y481-F498 AromaticContact CD2-CE1 3.7Å; Y481-F498 HydrophobicContact CD2-CE1 3.7Å; Y481-F498 HydrophobicContact CD2-CZ 4.13Å; Y481-F498 AromaticContact CE2-CE1 3.44Å; Y481-F498 HydrophobicContact CE2-CE1 3.44Å; Y481-F498 VanDerWaalsContact CE2-CE1 3.44Å; Y481-F498 AromaticContact CE2-CZ 3.53Å; Y481-F498 HydrophobicContact CE2-CZ 3.53Å; Y481-H549 AromaticContact CG-CD2 3.86Å; Y481-K587 PolarHBondContact OH-O 2.73Å; Y481-P589 HydrophobicContact CD1-CG 4.3Å; Y481-P589 HydrophobicContact CD2-CG 4.08Å; Y481-P589 HydrophobicContact CE1-CG 3.88Å; Y481-P589 HydrophobicContact CE2-CG 3.66Å; Y481-P589 HydrophobicContact CG-CG 4.39Å
482	N	97.4	Very high	96.3	Very high	28 Å²	28	54.8 Å²	54.8	15%	0.15	26%	0.26	C	S	.	.	H	α-helix	trans	-72.7	-32.8	177.6	-81.5	-42.4	0	0	0	113.6	Y198 S478 K479 L480 R485 A486	Y198-N482 PolarHBondContact O-ND2 2.81Å; Y198-N482 PolarHBondContact O-OD1 2.99Å; Y198-N482 VanDerWaalsContact O-OD1 3.09Å; S478-N482 PolarHBondContact O-N 3.47Å; S478-N482 PolarHBondContact O-ND2 3.31Å; S478-N482 VanDerWaalsContact O-ND2 3.13Å; K479-N482 PolarHBondContact O-N 3.34Å; L480-N482 VanDerWaalsContact C-N 3.29Å; L480-N482 PolarHBondContact O-N 2.95Å; N482-R485 PolarHBondContact O-N 3.35Å; N482-A486 WeakPolarHBondContact O-CB 3.44Å; N482-A486 PolarHBondContact O-N 2.77Å
483	E	97.6	Very high	95.9	Very high	84 Å²	84	58.1 Å²	58.1	39%	0.393	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-43.4	171.7	-63.6	-52.2	142.4	0	0	110.6	L308 K479 L480 R485 A486 C487	L308-E483 HydrophobicContact CD1-CB 3.68Å; L308-E483 HydrophobicContact CG-CB 4Å; K479-E483 WeakPolarHBondContact O-CG 3.42Å; K479-E483 PolarHBondContact O-N 2.86Å; L480-E483 PolarHBondContact O-N 3.31Å; E483-R485 PolarHBondContact O-N 3.33Å; E483-A486 WeakPolarHBondContact O-CB 3.34Å; E483-A486 PolarHBondContact O-N 2.88Å; E483-C487 PolarHBondContact O-N 3.43Å; E483-C487 VanDerWaalsContact O-N 3.14Å; E483-C487 PolarHBondContact O-SG 3.39Å; E483-C487 VanDerWaalsContact O-SG 3.36Å
484	V	98	Very high	95.5	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-60.9	-45.5	174.4	175.4	0	0	0	0	110.6	L308 L480 Y481 A486 C487 Q497 F498 Y502 L583 P585	L308-V484 HydrophobicContact CD1-CB 4.3Å; L308-V484 HydrophobicContact CD1-CG2 3.57Å; L480-V484 WeakPolarHBondContact O-CG2 3.42Å; L480-V484 PolarHBondContact O-N 3.04Å; Y481-V484 PolarHBondContact O-N 3.38Å; V484-A486 PolarHBondContact O-N 2.71Å; V484-C487 WeakPolarHBondContact O-CB 3.47Å; V484-C487 PolarHBondContact O-N 3.2Å; V484-Q497 HydrophobicContact CG1-CB 4.25Å; V484-Q497 HydrophobicContact CG1-CG 4.03Å; V484-Q497 WeakPolarHBondContact CG1-O 3.27Å; V484-Q497 WeakPolarHBondContact O-CG 3.45Å; V484-F498 HydrophobicContact CB-CD1 4.39Å; V484-F498 HydrophobicContact CB-CE1 4.09Å; V484-F498 HydrophobicContact CG1-CD1 3.45Å; V484-F498 VanDerWaalsContact CG1-CD1 3.45Å; V484-F498 HydrophobicContact CG1-CE1 3.56Å; V484-F498 HydrophobicContact CG1-CG 3.99Å; V484-F498 HydrophobicContact CG1-CZ 4.22Å; V484-Y502 HydrophobicContact CG1-CE2 4.21Å; V484-Y502 HydrophobicContact CG2-CD2 4.2Å; V484-Y502 HydrophobicContact CG2-CE2 4.05Å; V484-L583 HydrophobicContact CG2-CD2 4.19Å; V484-P585 HydrophobicContact CG1-CB 4.27Å; V484-P585 HydrophobicContact CG1-CG 4.22Å; V484-P585 HydrophobicContact CG2-CB 4.08Å; V484-P585 HydrophobicContact CG2-CG 4.33Å
485	R	95.8	Very high	95.2	Very high	80 Å²	80	64.7 Å²	64.7	30%	0.302	31%	0.314	S	S	.	.	H	α-helix	trans	-56	-35.3	174.2	-72.4	177	75.9	-179.1	12.6	112.6	D197 Y481 N482 E483 C487 R488 F498	D197-R485 PolarHBondContact O-NH1 2.89Å; D197-R485 IonicContact OD1-NH2 2.71Å; D197-R485 IonicContact OD2-CZ 3.88Å; D197-R485 IonicContact OD2-NH1 3.73Å; D197-R485 IonicContact OD2-NH2 3.22Å; D197-R485 PolarHBondContact OD2-NH2 2.91Å; Y481-R485 HydrophobicContact CE1-CG 4.34Å; Y481-R485 WeakPolarHBondContact O-CG 3.17Å; Y481-R485 PolarHBondContact O-N 2.96Å; N482-R485 PolarHBondContact O-N 3.35Å; E483-R485 PolarHBondContact O-N 3.33Å; R485-C487 VanDerWaalsContact C-N 3.33Å; R485-R488 WeakPolarHBondContact O-CB 3.33Å; R485-R488 PolarHBondContact O-N 3.36Å; R485-F498 HydrophobicContact CG-CE1 4.46Å; R485-F498 HydrophobicContact CG-CE2 4.05Å; R485-F498 HydrophobicContact CG-CZ 3.46Å; R485-F498 VanDerWaalsContact CG-CZ 3.46Å
486	A	95.1	Very high	95.1	Very high	68 Å²	68	64.7 Å²	64.7	56%	0.562	31%	0.314	S	S	*	.	H	α-helix	trans	-75	-21.7	-179.8	0	0	0	0	0	113.2	N482 E483 V484 R488	N482-A486 WeakPolarHBondContact O-CB 3.44Å; N482-A486 PolarHBondContact O-N 2.77Å; E483-A486 WeakPolarHBondContact O-CB 3.34Å; E483-A486 PolarHBondContact O-N 2.88Å; V484-A486 PolarHBondContact O-N 2.71Å; A486-R488 PolarHBondContact O-N 2.84Å
487	C	95.4	Very high	95	Very high	50 Å²	50	65.1 Å²	65.1	34%	0.338	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	2.4	173.7	-64.8	0	0	0	0	114.1	E483 V484 R485 E489 Q497	E483-C487 PolarHBondContact O-N 3.43Å; E483-C487 VanDerWaalsContact O-N 3.14Å; E483-C487 PolarHBondContact O-SG 3.39Å; E483-C487 VanDerWaalsContact O-SG 3.36Å; V484-C487 WeakPolarHBondContact O-CB 3.47Å; V484-C487 PolarHBondContact O-N 3.2Å; R485-C487 VanDerWaalsContact C-N 3.33Å; C487-E489 PolarHBondContact O-N 2.74Å; C487-E489 VanDerWaalsContact O-N 3.16Å; C487-Q497 HydrophobicContact CB-CB 4.15Å
488	R	94	Very high	95	Very high	158 Å²	158	65.4 Å²	65.4	60%	0.596	32%	0.317	S	S	*	.			trans	-58.8	119.4	179.2	-178.8	-178.5	173.8	-172.1	1.4	111.6	R485 A486	R485-R488 WeakPolarHBondContact O-CB 3.33Å; R485-R488 PolarHBondContact O-N 3.36Å; A486-R488 PolarHBondContact O-N 2.84Å
489	E	92.5	Very high	95	Very high	95 Å²	95	65.2 Å²	65.2	44%	0.444	32%	0.316	S	S	.	.			trans	-91.3	142.6	171.5	-67.2	178.2	-159.4	0	0	110.9	C487 D491 R492	C487-E489 PolarHBondContact O-N 2.74Å; C487-E489 VanDerWaalsContact O-N 3.16Å; E489-D491 VanDerWaalsContact C-N 3.34Å; E489-D491 PolarHBondContact O-N 3.2Å; E489-R492 HydrophobicContact CB-CB 4.43Å; E489-R492 HydrophobicContact CB-CG 4.18Å; E489-R492 IonicContact OE1-NE 2.79Å; E489-R492 IonicContact OE1-NH2 3.74Å; E489-R492 WeakPolarHBondContact OE2-CD 3.48Å; E489-R492 IonicContact OE2-CZ 2.72Å; E489-R492 IonicContact OE2-NE 2.83Å; E489-R492 PolarHBondContact OE2-NE 3.47Å; E489-R492 IonicContact OE2-NH2 3.87Å; E489-R492 PolarHBondContact OE2-NH2 2.71Å
490	K	90.7	Very high	95	Very high	201 Å²	201	62.8 Å²	62.8	87%	0.874	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-29.4	-176.1	-71.1	-177.8	180	176	0	113.6
491	D	92.5	Very high	95	Very high	166 Å²	166	62.7 Å²	62.7	89%	0.888	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	3.4	-171.6	-57.1	-44.6	0	0	0	113.4	E489	E489-D491 VanDerWaalsContact C-N 3.34Å; E489-D491 PolarHBondContact O-N 3.2Å
492	R	92	Very high	95	Very high	115 Å²	115	62.1 Å²	62.1	43%	0.434	30%	0.303	S	S	.	.	S	Bend	trans	-108.8	171	177	-62.9	-164.2	-169.4	-157	3.5	111.7	E489 A496	E489-R492 HydrophobicContact CB-CB 4.43Å; E489-R492 HydrophobicContact CB-CG 4.18Å; E489-R492 IonicContact OE1-NE 2.79Å; E489-R492 IonicContact OE1-NH2 3.74Å; E489-R492 WeakPolarHBondContact OE2-CD 3.48Å; E489-R492 IonicContact OE2-CZ 2.72Å; E489-R492 IonicContact OE2-NE 2.83Å; E489-R492 PolarHBondContact OE2-NE 3.47Å; E489-R492 IonicContact OE2-NH2 3.87Å; E489-R492 PolarHBondContact OE2-NH2 2.71Å; R492-A496 HydrophobicContact CB-CB 3.92Å
493	D	91	Very high	95	Very high	70 Å²	70	61.8 Å²	61.8	37%	0.374	30%	0.302	S	S	.	.			trans	-50.1	135.1	168.9	-175.7	-79.1	0	0	0	109.8	E495 A496	D493-E495 PolarHBondContact O-N 2.87Å; D493-E495 WeakPolarHBondContact OD1-CB 3.33Å; D493-E495 PolarHBondContact OD1-N 2.83Å; D493-A496 HydrophobicContact CB-CB 4.2Å; D493-A496 WeakPolarHBondContact O-CB 3.28Å; D493-A496 PolarHBondContact O-N 3.39Å
494	P	90.4	Very high	95	Very high	64 Å²	64	57.8 Å²	57.8	42%	0.416	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-19	-176.6	-26.6	34.9	0	0	0	115.2	Q497	P494-Q497 PolarHBondContact O-NE2 3.39Å; P494-Q497 PolarHBondContact O-OE1 2.93Å
495	E	90.7	Very high	94.9	Very high	74 Å²	74	59.6 Å²	59.6	35%	0.346	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	5.9	178.9	-59.6	-59.9	141.5	0	0	112.6	D493 Q497 F498 E499 K587	D493-E495 PolarHBondContact O-N 2.87Å; D493-E495 WeakPolarHBondContact OD1-CB 3.33Å; D493-E495 PolarHBondContact OD1-N 2.83Å; E495-Q497 VanDerWaalsContact C-N 3.28Å; E495-Q497 PolarHBondContact O-N 2.82Å; E495-F498 PolarHBondContact O-N 2.96Å; E495-F498 WeakPolarHBondContact OE2-CD2 3.47Å; E495-E499 PolarHBondContact O-N 3.42Å; E495-K587 HydrophobicContact CB-CD 4.21Å; E495-K587 HydrophobicContact CB-CG 4.5Å; E495-K587 HydrophobicContact CG-CD 4.41Å
496	A	96.4	Very high	94.9	Very high	3 Å²	3	55.9 Å²	55.9	3%	0.025	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-54.8	-44.5	-175.8	0	0	0	0	0	111.7	R492 D493 F498 E499 M500	R492-A496 HydrophobicContact CB-CB 3.92Å; D493-A496 HydrophobicContact CB-CB 4.2Å; D493-A496 WeakPolarHBondContact O-CB 3.28Å; D493-A496 PolarHBondContact O-N 3.39Å; A496-F498 PolarHBondContact O-N 2.69Å; A496-F498 VanDerWaalsContact O-N 3.16Å; A496-E499 CarbonylContact O-C 3.5Å; A496-E499 WeakPolarHBondContact O-CA 3.39Å; A496-E499 WeakPolarHBondContact O-CB 3.41Å; A496-E499 PolarHBondContact O-N 2.43Å; A496-M500 VanDerWaalsContact O-CG 3.29Å; A496-M500 WeakPolarHBondContact O-CG 3.48Å; A496-M500 PolarHBondContact O-N 2.98Å
497	Q	97.2	Very high	94.9	Very high	10 Å²	10	54.5 Å²	54.5	5%	0.047	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-58.2	-28.4	178.4	68.5	-72.9	-11.8	0	0	113.6	V484 C487 P494 E495 E499 Y502	V484-Q497 HydrophobicContact CG1-CB 4.25Å; V484-Q497 HydrophobicContact CG1-CG 4.03Å; V484-Q497 WeakPolarHBondContact CG1-O 3.27Å; V484-Q497 WeakPolarHBondContact O-CG 3.45Å; C487-Q497 HydrophobicContact CB-CB 4.15Å; P494-Q497 PolarHBondContact O-NE2 3.39Å; P494-Q497 PolarHBondContact O-OE1 2.93Å; E495-Q497 VanDerWaalsContact C-N 3.28Å; E495-Q497 PolarHBondContact O-N 2.82Å; Q497-E499 VanDerWaalsContact C-N 3.29Å; Q497-Y502 WeakPolarHBondContact CA-OH 3.42Å; Q497-Y502 WeakPolarHBondContact CB-OH 3.12Å; Q497-Y502 VanDerWaalsContact O-CE2 3.24Å; Q497-Y502 WeakPolarHBondContact O-CE2 3.43Å; Q497-Y502 PolarHBondContact O-OH 3.18Å
498	F	97.8	Very high	95	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.035	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-84.9	-5	175.5	-71.9	-72.3	0	0	0	113.3	Y481 V484 R485 E495 A496 P585 I586 K587 H626	Y481-F498 AromaticContact CD2-CE1 3.7Å; Y481-F498 HydrophobicContact CD2-CE1 3.7Å; Y481-F498 HydrophobicContact CD2-CZ 4.13Å; Y481-F498 AromaticContact CE2-CE1 3.44Å; Y481-F498 HydrophobicContact CE2-CE1 3.44Å; Y481-F498 VanDerWaalsContact CE2-CE1 3.44Å; Y481-F498 AromaticContact CE2-CZ 3.53Å; Y481-F498 HydrophobicContact CE2-CZ 3.53Å; V484-F498 HydrophobicContact CB-CD1 4.39Å; V484-F498 HydrophobicContact CB-CE1 4.09Å; V484-F498 HydrophobicContact CG1-CD1 3.45Å; V484-F498 VanDerWaalsContact CG1-CD1 3.45Å; V484-F498 HydrophobicContact CG1-CE1 3.56Å; V484-F498 HydrophobicContact CG1-CG 3.99Å; V484-F498 HydrophobicContact CG1-CZ 4.22Å; R485-F498 HydrophobicContact CG-CE1 4.46Å; R485-F498 HydrophobicContact CG-CE2 4.05Å; R485-F498 HydrophobicContact CG-CZ 3.46Å; R485-F498 VanDerWaalsContact CG-CZ 3.46Å; E495-F498 PolarHBondContact O-N 2.96Å; E495-F498 WeakPolarHBondContact OE2-CD2 3.47Å; A496-F498 PolarHBondContact O-N 2.69Å; A496-F498 VanDerWaalsContact O-N 3.16Å; F498-P585 HydrophobicContact CD1-CB 4.17Å; F498-I586 WeakPolarHBondContact CD1-O 3.48Å; F498-K587 HydrophobicContact CB-CB 4.27Å; F498-K587 HydrophobicContact CB-CG 3.49Å; F498-K587 VanDerWaalsContact CB-CG 3.49Å; F498-K587 HydrophobicContact CD2-CG 4.48Å; F498-K587 HydrophobicContact CG-CB 4.44Å; F498-K587 HydrophobicContact CG-CG 4.13Å; F498-H626 PolarHBondContact O-CD2 3.34Å
499	E	97.7	Very high	95.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-108.2	10.6	176.8	-64.4	-172.9	163.1	0	0	112	E495 A496 Q497 K587 H626 N627 R631 S632	E495-E499 PolarHBondContact O-N 3.42Å; A496-E499 CarbonylContact O-C 3.5Å; A496-E499 WeakPolarHBondContact O-CA 3.39Å; A496-E499 WeakPolarHBondContact O-CB 3.41Å; A496-E499 PolarHBondContact O-N 2.43Å; Q497-E499 VanDerWaalsContact C-N 3.29Å; E499-K587 VanDerWaalsContact OE1-CE 3.25Å; E499-K587 WeakPolarHBondContact OE1-CE 3.28Å; E499-K587 IonicContact OE1-NZ 2.91Å; E499-K587 PolarHBondContact OE1-NZ 2.85Å; E499-H626 HydrophobicContact CG-CB 4.34Å; E499-N627 HydrophobicContact CB-CB 3.91Å; E499-N627 VanDerWaalsContact CD-N 3.35Å; E499-N627 VanDerWaalsContact O-CB 3.31Å; E499-N627 WeakPolarHBondContact O-CB 3.26Å; E499-R631 IonicContact OE1-CZ 2.93Å; E499-R631 IonicContact OE1-NE 3.24Å; E499-R631 PolarHBondContact OE1-NE 2.96Å; E499-R631 IonicContact OE1-NH2 2.73Å; E499-R631 PolarHBondContact OE1-NH2 3.28Å; E499-R631 IonicContact OE2-CZ 2.72Å; E499-R631 IonicContact OE2-NE 3.72Å; E499-R631 PolarHBondContact OE2-NE 3.42Å; E499-R631 IonicContact OE2-NH2 3.02Å; E499-R631 PolarHBondContact OE2-NH2 2.97Å; E499-S632 VanDerWaalsContact CB-CB 3.48Å; E499-S632 PolarHBondContact OE2-OG 2.79Å
500	M	96.6	Very high	95.5	Very high	18 Å²	18	44 Å²	44	9%	0.089	21%	0.21	C	C	.	.	S	Bend	trans	-110.9	138.5	175.2	-54.2	-174.3	54	0	0	109.9	A496 Y502 P585 Y633	A496-M500 VanDerWaalsContact O-CG 3.29Å; A496-M500 WeakPolarHBondContact O-CG 3.48Å; A496-M500 PolarHBondContact O-N 2.98Å; M500-Y502 HydrophobicContact CB-CE2 4.13Å; M500-Y502 WeakPolarHBondContact O-CD2 3.4Å; M500-Y502 VanDerWaalsContact O-CE2 3.24Å; M500-Y502 WeakPolarHBondContact O-CE2 3.31Å; M500-P585 VanDerWaalsContact O-CD 3.24Å; M500-P585 WeakPolarHBondContact O-CD 3.5Å; M500-Y633 HydrophobicContact CE-CD2 3.9Å
501	P	98.1	Very high	95.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	18%	0.179	C	C	.	.			trans	-78.5	150.6	165.8	33.9	-33.4	0	0	0	111.1	P311 I582 L583 F584 Y633	P311-P501 VanDerWaalsContact CD-O 3.32Å; P311-P501 WeakPolarHBondContact CD-O 3.31Å; P311-P501 HydrophobicContact CG-CG 4.27Å; P501-I582 HydrophobicContact CB-CD1 3.73Å; P501-I582 HydrophobicContact CB-CG1 3.93Å; P501-I582 HydrophobicContact CG-CD1 4.34Å; P501-L583 CarbonylContact C-O 3.45Å; P501-L583 WeakPolarHBondContact CA-O 3.37Å; P501-F584 HydrophobicContact CB-CD1 3.79Å; P501-F584 HydrophobicContact CB-CE1 3.59Å; P501-F584 HydrophobicContact CB-CZ 4.32Å; P501-F584 HydrophobicContact CG-CE1 4.31Å; P501-Y633 HydrophobicContact CG-CD1 3.65Å; P501-Y633 HydrophobicContact CG-CE1 3.6Å; P501-Y633 HydrophobicContact CG-CG 4.34Å
502	Y	98.5	Very high	96	Very high	10 Å²	10	29.2 Å²	29.2	4%	0.039	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.4	-180	-62.7	-83.9	0	0	0	111.8	L308 Q309 V484 Q497 M500 I582 L583 P585	L308-Y502 HydrophobicContact CB-CD1 3.91Å; L308-Y502 HydrophobicContact CB-CG 4.16Å; L308-Y502 HydrophobicContact CD1-CD1 4.4Å; L308-Y502 HydrophobicContact CD1-CD2 4.44Å; L308-Y502 HydrophobicContact CD1-CG 4.3Å; L308-Y502 HydrophobicContact CD2-CG 4.3Å; L308-Y502 HydrophobicContact CG-CG 4.49Å; Q309-Y502 CarbonylContact O-C 3.59Å; Q309-Y502 WeakPolarHBondContact O-CA 3.47Å; V484-Y502 HydrophobicContact CG1-CE2 4.21Å; V484-Y502 HydrophobicContact CG2-CD2 4.2Å; V484-Y502 HydrophobicContact CG2-CE2 4.05Å; Q497-Y502 WeakPolarHBondContact CA-OH 3.42Å; Q497-Y502 WeakPolarHBondContact CB-OH 3.12Å; Q497-Y502 VanDerWaalsContact O-CE2 3.24Å; Q497-Y502 WeakPolarHBondContact O-CE2 3.43Å; Q497-Y502 PolarHBondContact O-OH 3.18Å; M500-Y502 HydrophobicContact CB-CE2 4.13Å; M500-Y502 WeakPolarHBondContact O-CD2 3.4Å; M500-Y502 VanDerWaalsContact O-CE2 3.24Å; M500-Y502 WeakPolarHBondContact O-CE2 3.31Å; Y502-I582 CarbonylContact O-C 3.59Å; Y502-I582 WeakPolarHBondContact O-CA 3.21Å; Y502-I582 WeakPolarHBondContact O-CG1 3.26Å; Y502-L583 PolarHBondContact N-O 3.19Å; Y502-L583 PolarHBondContact O-N 3.08Å; Y502-P585 HydrophobicContact CD2-CG 4.43Å; Y502-P585 HydrophobicContact CE2-CG 4.28Å
503	V	97.9	Very high	96.2	Very high	21 Å²	21	24.9 Å²	24.9	13%	0.127	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	128.1	169.2	177.3	0	0	0	0	108.7	Q309 P311 F580	Q309-V503 HydrophobicContact CB-CB 4.3Å; Q309-V503 WeakPolarHBondContact CB-O 3.48Å; Q309-V503 PolarHBondContact N-O 3.24Å; Q309-V503 PolarHBondContact O-N 2.84Å; P311-V503 HydrophobicContact CB-CG2 4.06Å; P311-V503 HydrophobicContact CG-CG2 4.14Å; V503-F580 HydrophobicContact CG1-CB 3.88Å
504	V	97.3	Very high	96.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.			trans	-154.6	137.2	-174.2	59.6	0	0	0	0	113.1	L308 L480 L506 P581 L583	L308-V504 HydrophobicContact CD2-CB 4.07Å; L308-V504 HydrophobicContact CD2-CG1 4.4Å; L308-V504 HydrophobicContact CD2-CG2 4.08Å; L480-V504 HydrophobicContact CD2-CG2 3.82Å; V504-L506 HydrophobicContact CG1-CD2 3.73Å; V504-L506 HydrophobicContact CG1-CG 4.36Å; V504-L506 PolarHBondContact O-N 3.5Å; V504-L506 VanDerWaalsContact O-N 3.13Å; V504-P581 PolarHBondContact N-O 3.37Å; V504-P581 WeakPolarHBondContact O-CD 3.25Å; V504-L583 HydrophobicContact CG1-CB 3.75Å
505	R	95.6	Very high	96.8	Very high	39 Å²	39	21.9 Å²	21.9	15%	0.147	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-75.2	98.7	165.6	175.7	70.7	-176.9	91.8	4.9	109	Y297 A301 Y304 E305 D306 H507 F580	Y297-R505 WeakPolarHBondContact OH-CD 3.17Å; Y297-R505 PolarHBondContact OH-NE 3.14Å; A301-R505 HydrophobicContact CB-CG 3.86Å; Y304-R505 WeakPolarHBondContact O-CB 3.31Å; E305-R505 HydrophobicContact CG-CG 4.42Å; D306-R505 PolarHBondContact N-O 2.78Å; R505-H507 PolarHBondContact O-N 3.13Å; R505-F580 HydrophobicContact CB-CD1 4.16Å; R505-F580 HydrophobicContact CB-CD2 4.16Å; R505-F580 HydrophobicContact CB-CE1 4.26Å; R505-F580 HydrophobicContact CB-CE2 4.26Å; R505-F580 HydrophobicContact CB-CG 4.11Å; R505-F580 HydrophobicContact CB-CZ 4.31Å
506	L	96.4	Very high	97.2	Very high	3 Å²	3	21 Å²	21	2%	0.016	11%	0.112	C	C	.	.			trans	-62.8	116.8	178.2	-59.8	172.8	0	0	0	111.5	I475 L480 V504 F509 A552 P581	I475-L506 HydrophobicContact CD1-CD2 4.1Å; L480-L506 HydrophobicContact CD1-CD2 3.49Å; L480-L506 VanDerWaalsContact CD1-CD2 3.49Å; V504-L506 HydrophobicContact CG1-CD2 3.73Å; V504-L506 HydrophobicContact CG1-CG 4.36Å; V504-L506 PolarHBondContact O-N 3.5Å; V504-L506 VanDerWaalsContact O-N 3.13Å; L506-F509 HydrophobicContact CB-CD1 3.65Å; L506-F509 HydrophobicContact CB-CD2 4.3Å; L506-F509 HydrophobicContact CB-CE1 3.5Å; L506-F509 VanDerWaalsContact CB-CE1 3.5Å; L506-F509 HydrophobicContact CB-CE2 4.15Å; L506-F509 HydrophobicContact CB-CG 4.06Å; L506-F509 HydrophobicContact CB-CZ 3.76Å; L506-F509 HydrophobicContact CD1-CD2 4.32Å; L506-F509 HydrophobicContact CD1-CE2 3.97Å; L506-F509 HydrophobicContact CD1-CZ 4.2Å; L506-F509 WeakPolarHBondContact O-CE1 3.24Å; L506-A552 HydrophobicContact CD1-CB 3.52Å; L506-P581 HydrophobicContact CD1-CB 3.96Å; L506-P581 HydrophobicContact CD1-CG 4.2Å; L506-P581 HydrophobicContact CG-CB 4.3Å; L506-P581 HydrophobicContact CG-CG 4.45Å
507	H	95.4	Very high	97.3	Very high	38 Å²	38	24.5 Å²	24.5	18%	0.176	13%	0.134	C	C	.	.			trans	-128.2	-57.2	-175	-177	88.6	0	0	0	112.8	K259 E305 D306 R505 F509	K259-H507 PolarHBondContact O-CE1 3.46Å; K259-H507 PolarHBondContact O-NE2 2.84Å; K259-H507 VanDerWaalsContact O-NE2 3.07Å; E305-H507 HydrophobicContact CB-CB 3.75Å; E305-H507 HydrophobicContact CG-CB 4.06Å; D306-H507 WeakPolarHBondContact OD1-CA 3.39Å; D306-H507 PolarHBondContact OD1-N 3.02Å; R505-H507 PolarHBondContact O-N 3.13Å; H507-F509 PolarHBondContact O-N 2.96Å
508	N	97.2	Very high	97.3	Very high	10 Å²	10	24.7 Å²	24.7	5%	0.053	14%	0.137	C	C	.	.	S	Bend	trans	-95.4	81	173.5	-172.8	-86.3	0	0	0	109.7	G223 E224 L260 D306 S477 K479	G223-N508 PolarHBondContact O-OD1 3.19Å; E224-N508 PolarHBondContact O-ND2 2.91Å; E224-N508 PolarHBondContact O-OD1 3.06Å; L260-N508 HydrophobicContact CD2-CB 4.36Å; D306-N508 PolarHBondContact OD1-N 3.24Å; D306-N508 WeakPolarHBondContact OD2-CB 3.36Å; D306-N508 PolarHBondContact OD2-N 3.4Å; S477-N508 WeakPolarHBondContact CB-O 3.35Å; S477-N508 PolarHBondContact OG-O 2.78Å; K479-N508 HydrophobicContact CB-CB 4.42Å; K479-N508 HydrophobicContact CD-CB 3.9Å
509	F	97.9	Very high	97.4	Very high	51 Å²	51	24.5 Å²	24.5	22%	0.224	14%	0.136	C	C	.	.			trans	-152.8	161.2	-178.9	79.5	-64.3	0	0	0	111.6	G223 I475 S476 L506 H507 Q511	G223-F509 VanDerWaalsContact CA-C 3.44Å; I475-F509 HydrophobicContact CB-CD2 4.26Å; I475-F509 HydrophobicContact CG2-CD2 3.93Å; I475-F509 HydrophobicContact CG2-CE2 4.31Å; S476-F509 CarbonylContact O-C 3.54Å; S476-F509 WeakPolarHBondContact O-CA 3.24Å; L506-F509 HydrophobicContact CB-CD1 3.65Å; L506-F509 HydrophobicContact CB-CD2 4.3Å; L506-F509 HydrophobicContact CB-CE1 3.5Å; L506-F509 VanDerWaalsContact CB-CE1 3.5Å; L506-F509 HydrophobicContact CB-CE2 4.15Å; L506-F509 HydrophobicContact CB-CG 4.06Å; L506-F509 HydrophobicContact CB-CZ 3.76Å; L506-F509 HydrophobicContact CD1-CD2 4.32Å; L506-F509 HydrophobicContact CD1-CE2 3.97Å; L506-F509 HydrophobicContact CD1-CZ 4.2Å; L506-F509 WeakPolarHBondContact O-CE1 3.24Å; H507-F509 PolarHBondContact O-N 2.96Å; F509-Q511 HydrophobicContact CE2-CB 4.02Å
510	H	97.7	Very high	97.4	Very high	22 Å²	22	27.6 Å²	27.6	10%	0.102	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120	168.8	179.4	-137.8	0	0	0	109.1	D219 I475 S476 L512	D219-H510 VanDerWaalsContact C-CD2 3.46Å; D219-H510 PolarHBondContact O-CD2 2.91Å; I475-H510 WeakPolarHBondContact CA-O 3.42Å; S476-H510 PolarHBondContact N-O 2.98Å; S476-H510 PolarHBondContact O-N 2.76Å; H510-L512 VanDerWaalsContact ND1-CD2 3.35Å; H510-L512 WeakPolarHBondContact ND1-CD2 3.39Å
511	Q	97.3	Very high	97.5	Very high	44 Å²	44	27 Å²	27	21%	0.206	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	117.6	173.1	-176.1	170.1	-77.6	0	0	109	A473 F509 S513 Y554	A473-Q511 HydrophobicContact CB-CG 4Å; F509-Q511 HydrophobicContact CE2-CB 4.02Å; Q511-S513 VanDerWaalsContact CG-O 3.23Å; Q511-S513 WeakPolarHBondContact CG-O 3.22Å; Q511-Y554 PolarHBondContact OE1-OH 3.03Å
512	L	96.9	Very high	97.4	Very high	12 Å²	12	29.9 Å²	29.9	6%	0.063	17%	0.172	C	C	.	.			trans	-81.8	-20.9	-167.9	-52.5	-178.7	0	0	0	113.3	P474 H510 T546 L548 I598	P474-L512 HydrophobicContact CB-CB 4.3Å; P474-L512 HydrophobicContact CB-CD1 4.33Å; P474-L512 HydrophobicContact CG-CB 4.06Å; P474-L512 PolarHBondContact O-N 2.92Å; H510-L512 VanDerWaalsContact ND1-CD2 3.35Å; H510-L512 WeakPolarHBondContact ND1-CD2 3.39Å; L512-T546 HydrophobicContact CD1-CG2 3.61Å; L512-T546 HydrophobicContact CD2-CG2 3.74Å; L512-T546 WeakPolarHBondContact CD2-OG1 3.5Å; L512-T546 HydrophobicContact CG-CG2 4.24Å; L512-L548 HydrophobicContact CD1-CD1 4.31Å; L512-I598 HydrophobicContact CD1-CD1 4.04Å
513	S	96.5	Very high	97.3	Very high	24 Å²	24	30 Å²	30	17%	0.168	17%	0.173	C	C	.	.	S	Bend	trans	-158.7	160.3	179	-160.9	0	0	0	0	109.8	Q511 P541	Q511-S513 VanDerWaalsContact CG-O 3.23Å; Q511-S513 WeakPolarHBondContact CG-O 3.22Å; S513-P541 PolarHBondContact OG-O 3.12Å
514	A	96.6	Very high	97.2	Very high	61 Å²	61	30.7 Å²	30.7	50%	0.504	18%	0.178	S	C	.	.			trans	-62.6	146.9	179.7	0	0	0	0	0	111.7	Q516	A514-Q516 PolarHBondContact O-N 3.45Å
515	P	98.1	Very high	97	Very high	11 Å²	11	31.8 Å²	31.8	7%	0.071	18%	0.184	C	C	.	.			trans	-63.5	134.9	178.8	-18	31.5	0	0	0	112	F471 L472 A473 Y554 R568	F471-P515 HydrophobicContact CB-CB 4.08Å; L472-P515 CarbonylContact O-C 3.47Å; L472-P515 WeakPolarHBondContact O-CA 3.27Å; A473-P515 HydrophobicContact CB-CB 4.04Å; A473-P515 HydrophobicContact CB-CG 3.94Å; P515-Y554 HydrophobicContact CB-CD2 4.06Å; P515-Y554 HydrophobicContact CB-CE2 4.27Å; P515-Y554 HydrophobicContact CG-CD2 4.04Å; P515-Y554 HydrophobicContact CG-CE2 3.86Å; P515-R568 HydrophobicContact CG-CG 4.27Å
516	Q	98.4	Very high	96.8	Very high	55 Å²	55	36.1 Å²	36.1	26%	0.257	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	145.9	177.3	-71.4	-178.9	27.1	0	0	111.5	F471 L472 A514 C518 L538 E539 F540	F471-Q516 CarbonylContact C-O 3.38Å; F471-Q516 WeakPolarHBondContact CA-O 3.39Å; F471-Q516 VanDerWaalsContact CD1-C 3.45Å; L472-Q516 PolarHBondContact N-O 3.27Å; L472-Q516 PolarHBondContact O-N 3.04Å; A514-Q516 PolarHBondContact O-N 3.45Å; Q516-C518 PolarHBondContact O-N 2.82Å; Q516-L538 HydrophobicContact CB-CD1 4.47Å; Q516-L538 HydrophobicContact CB-CD2 4.22Å; Q516-E539 PolarHBondContact NE2-O 2.9Å; Q516-F540 HydrophobicContact CB-CE1 3.79Å; Q516-F540 HydrophobicContact CB-CZ 4.07Å; Q516-F540 HydrophobicContact CG-CD1 4.21Å; Q516-F540 HydrophobicContact CG-CE1 3.6Å; Q516-F540 HydrophobicContact CG-CZ 4.31Å
517	P	98.3	Very high	96.6	Very high	76 Å²	76	41 Å²	41	49%	0.494	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	134	178.2	27.2	-34.4	0	0	0	110.6	T469 F471 L538	T469-P517 HydrophobicContact CG2-CB 3.73Å; F471-P517 HydrophobicContact CD1-CB 4.17Å; F471-P517 HydrophobicContact CE1-CB 3.8Å; F471-P517 HydrophobicContact CE1-CG 4.39Å; F471-P517 HydrophobicContact CZ-CB 4.25Å; P517-L538 VanDerWaalsContact O-CD2 3.31Å; P517-L538 WeakPolarHBondContact O-CD2 3.31Å
518	C	97.9	Very high	96.3	Very high	14 Å²	14	46.1 Å²	46.1	10%	0.095	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-67.5	-175.9	-178.1	0	0	0	0	110.9	F440 S470 L472 Q516 C536 L538	F440-C518 HydrophobicContact CZ-CB 4.17Å; S470-C518 WeakPolarHBondContact O-CA 3.23Å; S470-C518 WeakPolarHBondContact O-CB 3.46Å; S470-C518 PolarHBondContact O-N 2.96Å; L472-C518 HydrophobicContact CD1-CB 4.14Å; L472-C518 HydrophobicContact CG-CB 4.23Å; Q516-C518 PolarHBondContact O-N 2.82Å; C518-C536 PolarHBondContact SG-SG 3.34Å; C518-L538 HydrophobicContact CB-CD1 4.32Å
519	F	98.3	Very high	96	Very high	5 Å²	5	52.7 Å²	52.7	2%	0.022	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134	-178.1	-55.3	-40.6	0	0	0	110.5	F440 T469 S470 F521 R534 C536 F602 R604 Y613	F440-F519 HydrophobicContact CE1-CD2 4.15Å; F440-F519 HydrophobicContact CE1-CE2 4.35Å; T469-F519 CarbonylContact C-O 3.42Å; T469-F519 WeakPolarHBondContact CA-O 3.07Å; S470-F519 PolarHBondContact N-O 3.41Å; S470-F519 PolarHBondContact OG-O 3.2Å; F519-F521 HydrophobicContact CB-CE2 3.83Å; F519-F521 HydrophobicContact CB-CZ 4.4Å; F519-R534 HydrophobicContact CB-CG 4.3Å; F519-R534 HydrophobicContact CD1-CB 3.3Å; F519-R534 HydrophobicContact CD1-CG 3.95Å; F519-R534 HydrophobicContact CD2-CB 4.36Å; F519-R534 HydrophobicContact CE1-CB 3.37Å; F519-R534 HydrophobicContact CE1-CG 4.47Å; F519-R534 HydrophobicContact CE2-CB 4.41Å; F519-R534 HydrophobicContact CG-CB 3.83Å; F519-R534 HydrophobicContact CG-CG 4.08Å; F519-R534 HydrophobicContact CZ-CB 3.92Å; F519-C536 HydrophobicContact CE1-CB 4.19Å; F519-F602 AromaticContact CE2-CD1 3.65Å; F519-F602 HydrophobicContact CE2-CD1 3.65Å; F519-F602 AromaticContact CE2-CE1 3.98Å; F519-F602 HydrophobicContact CE2-CE1 3.98Å; F519-F602 AromaticContact CZ-CD1 3.61Å; F519-F602 HydrophobicContact CZ-CD1 3.61Å; F519-F602 HydrophobicContact CZ-CE1 4.39Å; F519-R604 HydrophobicContact CD2-CB 4.11Å; F519-R604 HydrophobicContact CE2-CB 3.59Å; F519-R604 HydrophobicContact CZ-CB 3.95Å; F519-Y613 HydrophobicContact CE2-CD1 4.47Å; F519-Y613 HydrophobicContact CE2-CE1 4.49Å
520	T	98.1	Very high	95.7	Very high	65 Å²	65	53.7 Å²	53.7	40%	0.399	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	139.9	175.2	-56.7	0	0	0	0	109.7	Y468 T469	Y468-T520 WeakPolarHBondContact O-CA 3.27Å; T469-T520 WeakPolarHBondContact CG2-OG1 3.31Å; T469-T520 WeakPolarHBondContact OG1-CG2 3.38Å; T469-T520 PolarHBondContact OG1-OG1 2.91Å
521	F	98	Very high	95.5	Very high	5 Å²	5	56.4 Å²	56.4	2%	0.022	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.2	173	-58.8	-95	0	0	0	108.6	D442 P447 E467 Y468 F519 N532 R534	D442-F521 HydrophobicContact CB-CD2 4.29Å; D442-F521 HydrophobicContact CB-CE2 3.71Å; D442-F521 HydrophobicContact CB-CZ 4.19Å; P447-F521 HydrophobicContact CB-CD1 3.67Å; P447-F521 HydrophobicContact CB-CE1 3.82Å; P447-F521 HydrophobicContact CB-CG 4.34Å; P447-F521 HydrophobicContact CG-CD1 3.55Å; P447-F521 HydrophobicContact CG-CD2 4.12Å; P447-F521 HydrophobicContact CG-CE1 3.63Å; P447-F521 HydrophobicContact CG-CE2 4.18Å; P447-F521 HydrophobicContact CG-CG 3.82Å; P447-F521 HydrophobicContact CG-CZ 3.95Å; E467-F521 CarbonylContact C-O 3.48Å; E467-F521 WeakPolarHBondContact CA-O 3.49Å; E467-F521 WeakPolarHBondContact CB-O 3.41Å; Y468-F521 HydrophobicContact CD2-CB 4.03Å; Y468-F521 AromaticContact CD2-CD2 3.97Å; Y468-F521 HydrophobicContact CD2-CD2 3.97Å; Y468-F521 HydrophobicContact CD2-CG 4.42Å; Y468-F521 HydrophobicContact CE2-CB 3.49Å; Y468-F521 VanDerWaalsContact CE2-CB 3.49Å; Y468-F521 AromaticContact CE2-CD2 3.55Å; Y468-F521 HydrophobicContact CE2-CD2 3.55Å; Y468-F521 AromaticContact CE2-CG 3.75Å; Y468-F521 HydrophobicContact CE2-CG 3.75Å; Y468-F521 PolarHBondContact N-O 3.26Å; Y468-F521 PolarHBondContact O-N 2.93Å; F519-F521 HydrophobicContact CB-CE2 3.83Å; F519-F521 HydrophobicContact CB-CZ 4.4Å; F521-N532 HydrophobicContact CE1-CB 4.36Å; F521-R534 HydrophobicContact CE1-CG 4.38Å; F521-R534 VanDerWaalsContact CE1-NH2 3.33Å; F521-R534 HydrophobicContact CZ-CG 3.98Å
522	S	97.1	Very high	95.4	Very high	62 Å²	62	54.8 Å²	54.8	43%	0.434	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.9	179.6	-55.9	0	0	0	0	109.1	G466	G466-S522 CarbonylContact O-C 3.57Å; G466-S522 WeakPolarHBondContact O-CA 3.47Å
523	H	96.6	Very high	95.4	Very high	13 Å²	13	57 Å²	57	6%	0.06	32%	0.322	C	S	.	.	S	Bend	trans	-129.8	135.4	-174.5	-65.4	-72	0	0	0	109.9	L450 D451 S463 G466 Y468	L450-H523 HydrophobicContact CD1-CB 4.45Å; D451-H523 IonicContact OD1-CE1 2.97Å; D451-H523 IonicContact OD1-ND1 2.7Å; S463-H523 WeakPolarHBondContact OG-CB 3.37Å; G466-H523 PolarHBondContact O-N 2.76Å; Y468-H523 AromaticContact CE1-CD2 3.58Å; Y468-H523 AromaticContact CE1-NE2 3.62Å; Y468-H523 AromaticContact CZ-CD2 3.94Å; Y468-H523 AromaticContact CZ-NE2 3.48Å; Y468-H523 PolarHBondContact OH-NE2 2.73Å
524	P	95.8	Very high	95.5	Very high	35 Å²	35	59 Å²	59	23%	0.227	33%	0.326	C	S	.	.	S	Bend	cis	-71.3	139.1	-2.5	29.3	-34.5	0	0	0	112.9	Q454 L457 R526	Q454-P524 HydrophobicContact CG-CB 4.12Å; L457-P524 HydrophobicContact CD2-CB 3.66Å; L457-P524 HydrophobicContact CD2-CG 3.87Å; P524-R526 PolarHBondContact O-N 3.33Å
525	N	93.7	Very high	95.6	Very high	22 Å²	22	61.9 Å²	61.9	12%	0.118	32%	0.324	C	S	.	.			trans	-86.2	98.6	174	-179	-0.7	0	0	0	110.8	D451 Q454 D527	D451-N525 WeakPolarHBondContact OD1-CB 3.31Å; Q454-N525 VanDerWaalsContact CD-O 3.26Å; Q454-N525 VanDerWaalsContact NE2-C 3.29Å; Q454-N525 PolarHBondContact NE2-O 2.89Å; Q454-N525 PolarHBondContact OE1-O 3.12Å; N525-D527 VanDerWaalsContact C-N 3.27Å; N525-D527 PolarHBondContact O-N 3.39Å; N525-D527 WeakPolarHBondContact OD1-CB 3.45Å; N525-D527 PolarHBondContact OD1-N 3.2Å
526	R	90.7	Very high	95.6	Very high	130 Å²	130	62.3 Å²	62.3	49%	0.491	33%	0.327	S	S	.	.			trans	-89.4	15.5	-174	-62.6	179.9	-177.6	-105	-3	114.2	D459 P524	D459-R526 PolarHBondContact O-NH1 2.89Å; D459-R526 PolarHBondContact O-NH2 2.86Å; P524-R526 PolarHBondContact O-N 3.33Å
527	D	91.4	Very high	95.6	Very high	106 Å²	106	62 Å²	62	57%	0.567	33%	0.329	S	S	*	.			trans	-65.1	138.2	179.8	-73	-13.3	0	0	0	111	N525 M529	N525-D527 VanDerWaalsContact C-N 3.27Å; N525-D527 PolarHBondContact O-N 3.39Å; N525-D527 WeakPolarHBondContact OD1-CB 3.45Å; N525-D527 PolarHBondContact OD1-N 3.2Å; D527-M529 PolarHBondContact O-N 3.02Å; D527-M529 VanDerWaalsContact O-N 3.15Å
528	P	89.4	Confident	95.6	Very high	146 Å²	146	58.9 Å²	58.9	95%	0.948	31%	0.309	S	S	*	.	S	Bend	trans	-59.2	-27.2	179	-25.1	33.6	0	0	0	114
529	M	90.7	Very high	95.6	Very high	147 Å²	147	63.3 Å²	63.3	72%	0.724	33%	0.328	S	S	*	.	S	Bend	trans	-132	112.5	175	-176.6	-178.3	77.9	0	0	107.9	D527 D531	D527-M529 PolarHBondContact O-N 3.02Å; D527-M529 VanDerWaalsContact O-N 3.15Å; M529-D531 PolarHBondContact O-N 3.26Å
530	I	91.7	Very high	95.6	Very high	72 Å²	72	63.1 Å²	63.1	37%	0.369	33%	0.327	S	S	.	.			trans	-81.2	115.6	179.4	-63	-179.9	0	0	0	108.8	D451	D451-I530 HydrophobicContact CB-CD1 3.81Å; D451-I530 HydrophobicContact CB-CG2 3.97Å; D451-I530 WeakPolarHBondContact OD2-CG2 3.49Å
531	D	93.9	Very high	95.6	Very high	79 Å²	79	63.6 Å²	63.6	42%	0.422	33%	0.331	S	S	.	.			trans	-120.6	117.5	171.4	-178.5	10.7	0	0	0	109.3	M529 N533 R534	M529-D531 PolarHBondContact O-N 3.26Å; D531-N533 VanDerWaalsContact OD1-CB 3.29Å; D531-N533 WeakPolarHBondContact OD1-CB 3.36Å; D531-N533 PolarHBondContact OD1-N 2.97Å; D531-N533 PolarHBondContact OD1-ND2 2.74Å; D531-R534 PolarHBondContact O-NH1 3.42Å
532	N	95.4	Very high	95.5	Very high	10 Å²	10	63.6 Å²	63.6	5%	0.053	33%	0.332	C	S	.	.			trans	-99.9	9.7	178	-73	-34.8	0	0	0	113.8	E448 D451 F521 R534 R604	E448-N532 WeakPolarHBondContact OE1-CB 2.99Å; D451-N532 PolarHBondContact OD2-ND2 3.16Å; D451-N532 PolarHBondContact OD2-OD1 3.26Å; F521-N532 HydrophobicContact CE1-CB 4.36Å; N532-R534 PolarHBondContact OD1-NH2 2.87Å; N532-R604 VanDerWaalsContact CB-NH1 3.33Å; N532-R604 PolarHBondContact O-NH1 3.44Å
533	N	97.7	Very high	95.2	Very high	60 Å²	60	66.4 Å²	66.4	32%	0.321	34%	0.338	S	S	.	.			trans	-67.2	139.2	166.5	-67.4	-83.1	0	0	0	109.8	D531 R604 C605 S606	D531-N533 VanDerWaalsContact OD1-CB 3.29Å; D531-N533 WeakPolarHBondContact OD1-CB 3.36Å; D531-N533 PolarHBondContact OD1-N 2.97Å; D531-N533 PolarHBondContact OD1-ND2 2.74Å; N533-R604 CarbonylContact C-O 3.54Å; N533-R604 VanDerWaalsContact CA-O 3.29Å; N533-R604 WeakPolarHBondContact CA-O 3.32Å; N533-C605 VanDerWaalsContact OD1-CA 3.27Å; N533-C605 WeakPolarHBondContact OD1-CA 3.48Å; N533-S606 PolarHBondContact ND2-OG 2.86Å; N533-S606 PolarHBondContact OD1-N 3.35Å
534	R	97.7	Very high	95.1	Very high	65 Å²	65	66.2 Å²	66.2	25%	0.245	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149.2	178.3	-56.8	-74.2	179.3	-87.8	-2.1	110.3	F519 F521 D531 N532 W603 R604	F519-R534 HydrophobicContact CB-CG 4.3Å; F519-R534 HydrophobicContact CD1-CB 3.3Å; F519-R534 HydrophobicContact CD1-CG 3.95Å; F519-R534 HydrophobicContact CD2-CB 4.36Å; F519-R534 HydrophobicContact CE1-CB 3.37Å; F519-R534 HydrophobicContact CE1-CG 4.47Å; F519-R534 HydrophobicContact CE2-CB 4.41Å; F519-R534 HydrophobicContact CG-CB 3.83Å; F519-R534 HydrophobicContact CG-CG 4.08Å; F519-R534 HydrophobicContact CZ-CB 3.92Å; F521-R534 HydrophobicContact CE1-CG 4.38Å; F521-R534 VanDerWaalsContact CE1-NH2 3.33Å; F521-R534 HydrophobicContact CZ-CG 3.98Å; D531-R534 PolarHBondContact O-NH1 3.42Å; N532-R534 PolarHBondContact OD1-NH2 2.87Å; R534-W603 CarbonylContact O-C 3.54Å; R534-W603 WeakPolarHBondContact O-CA 3.3Å; R534-R604 HydrophobicContact CB-CB 4.02Å; R534-R604 HydrophobicContact CG-CB 4.49Å; R534-R604 PolarHBondContact N-O 2.88Å; R534-R604 PolarHBondContact O-N 2.65Å
535	Y	98.2	Very high	95	Very high	121 Å²	121	64.9 Å²	64.9	48%	0.475	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	135.1	172.2	165.3	-111.7	0	0	0	108.9	T537 R601 F602 W603	Y535-T537 PolarHBondContact OH-OG1 3.46Å; Y535-R601 HydrophobicContact CE2-CB 4.2Å; Y535-R601 WeakPolarHBondContact OH-CD 3.18Å; Y535-R601 PolarHBondContact OH-NH1 2.85Å; Y535-F602 WeakPolarHBondContact CA-O 3.26Å; Y535-W603 AromaticContact CD2-CD1 3.44Å; Y535-W603 VanDerWaalsContact CD2-CD1 3.44Å; Y535-W603 AromaticContact CD2-CD2 3.99Å; Y535-W603 HydrophobicContact CD2-CD2 3.99Å; Y535-W603 AromaticContact CD2-CE2 3.47Å; Y535-W603 VanDerWaalsContact CD2-CE2 3.47Å; Y535-W603 AromaticContact CD2-CG 3.98Å; Y535-W603 HydrophobicContact CD2-CG 3.98Å; Y535-W603 HydrophobicContact CD2-CZ2 4.09Å; Y535-W603 AromaticContact CD2-NE1 3.08Å; Y535-W603 HydrophobicContact CE2-CD2 4.35Å; Y535-W603 AromaticContact CE2-CE2 3.55Å; Y535-W603 AromaticContact CE2-CZ2 3.66Å; Y535-W603 HydrophobicContact CE2-CZ2 3.66Å; Y535-W603 AromaticContact CE2-NE1 3.53Å; Y535-W603 AromaticContact CG-NE1 3.85Å
536	C	98.1	Very high	95.1	Very high	20 Å²	20	63.9 Å²	63.9	14%	0.135	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	165.5	172.1	74.1	0	0	0	0	111.5	C518 F519 F602	C518-C536 PolarHBondContact SG-SG 3.34Å; F519-C536 HydrophobicContact CE1-CB 4.19Å; C536-F602 PolarHBondContact N-O 3.42Å; C536-F602 PolarHBondContact O-N 2.95Å; C536-F602 VanDerWaalsContact O-N 3.13Å
537	T	98.6	Very high	95.4	Very high	48 Å²	48	57.7 Å²	57.7	29%	0.294	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.9	171.5	-62.3	0	0	0	0	107.6	Y535 V600 R601	Y535-T537 PolarHBondContact OH-OG1 3.46Å; T537-V600 WeakPolarHBondContact CA-O 3.44Å; T537-R601 VanDerWaalsContact OG1-CD 3.23Å; T537-R601 WeakPolarHBondContact OG1-CD 3.43Å; T537-R601 PolarHBondContact OG1-NH1 2.88Å
538	L	98.7	Very high	95.8	Very high	11 Å²	11	52.6 Å²	52.6	6%	0.058	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	141.3	179.5	-52.4	174.6	0	0	0	109.3	L472 Q516 P517 C518 F540 C599 V600	L472-L538 HydrophobicContact CB-CD1 3.85Å; L472-L538 HydrophobicContact CD1-CD1 3.99Å; L472-L538 HydrophobicContact CG-CD1 4.46Å; Q516-L538 HydrophobicContact CB-CD1 4.47Å; Q516-L538 HydrophobicContact CB-CD2 4.22Å; P517-L538 VanDerWaalsContact O-CD2 3.31Å; P517-L538 WeakPolarHBondContact O-CD2 3.31Å; C518-L538 HydrophobicContact CB-CD1 4.32Å; L538-F540 HydrophobicContact CB-CD2 4.37Å; L538-F540 HydrophobicContact CB-CE2 3.52Å; L538-F540 HydrophobicContact CB-CZ 3.74Å; L538-F540 HydrophobicContact CD1-CE2 4.32Å; L538-F540 HydrophobicContact CD1-CZ 3.97Å; L538-F540 HydrophobicContact CG-CZ 4.49Å; L538-C599 CarbonylContact O-C 3.57Å; L538-C599 WeakPolarHBondContact O-CA 3.35Å; L538-V600 HydrophobicContact CB-CG1 3.78Å; L538-V600 HydrophobicContact CD1-CG1 4.48Å; L538-V600 HydrophobicContact CG-CG1 4.44Å; L538-V600 PolarHBondContact N-O 3.35Å; L538-V600 PolarHBondContact O-N 3.49Å
539	E	98.6	Very high	96.2	Very high	108 Å²	108	46.1 Å²	46.1	51%	0.505	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.2	-176.9	-63.9	-164.9	168.2	0	0	109.3	Q516 T597 I598 C599	Q516-E539 PolarHBondContact NE2-O 2.9Å; E539-T597 HydrophobicContact CB-CG2 3.76Å; E539-T597 HydrophobicContact CG-CG2 4.46Å; E539-I598 CarbonylContact C-O 3.56Å; E539-I598 WeakPolarHBondContact CA-O 3.36Å; E539-C599 HydrophobicContact CG-CB 4.49Å
540	F	98.5	Very high	96.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	110.5	-174.8	-59.9	-82.6	0	0	0	110.2	L472 P474 Q516 L538 F551 T597 I598 V600	L472-F540 HydrophobicContact CB-CZ 4.46Å; L472-F540 WeakPolarHBondContact O-CE1 3.31Å; L472-F540 WeakPolarHBondContact O-CZ 2.94Å; P474-F540 VanDerWaalsContact CD-CG 3.45Å; P474-F540 HydrophobicContact CG-CB 3.64Å; P474-F540 HydrophobicContact CG-CD1 3.98Å; P474-F540 HydrophobicContact CG-CD2 4.01Å; P474-F540 HydrophobicContact CG-CG 3.62Å; Q516-F540 HydrophobicContact CB-CE1 3.79Å; Q516-F540 HydrophobicContact CB-CZ 4.07Å; Q516-F540 HydrophobicContact CG-CD1 4.21Å; Q516-F540 HydrophobicContact CG-CE1 3.6Å; Q516-F540 HydrophobicContact CG-CZ 4.31Å; L538-F540 HydrophobicContact CB-CD2 4.37Å; L538-F540 HydrophobicContact CB-CE2 3.52Å; L538-F540 HydrophobicContact CB-CZ 3.74Å; L538-F540 HydrophobicContact CD1-CE2 4.32Å; L538-F540 HydrophobicContact CD1-CZ 3.97Å; L538-F540 HydrophobicContact CG-CZ 4.49Å; F540-F551 HydrophobicContact CD2-CE1 4.49Å; F540-F551 HydrophobicContact CE2-CE1 4.27Å; F540-T597 WeakPolarHBondContact O-CA 3.37Å; F540-I598 HydrophobicContact CB-CB 4.32Å; F540-I598 PolarHBondContact N-O 2.96Å; F540-I598 PolarHBondContact O-N 3.45Å; F540-V600 HydrophobicContact CD2-CG1 4.45Å; F540-V600 HydrophobicContact CE2-CG1 3.78Å
541	P	97.5	Very high	96.9	Very high	76 Å²	76	35.7 Å²	35.7	49%	0.494	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	141.2	172.1	29.2	-33.5	0	0	0	109.7	S513	S513-P541 PolarHBondContact OG-O 3.12Å
542	V	95.3	Very high	97.2	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.024	16%	0.158	C	C	.	.			trans	-114.4	128.7	179.4	178.1	0	0	0	0	110.3	V544 T546 V592 G595 Q596 I598	V542-V544 WeakPolarHBondContact CG1-O 3.42Å; V542-T546 HydrophobicContact CG1-CG2 3.75Å; V542-V592 HydrophobicContact CB-CG1 4.01Å; V542-V592 HydrophobicContact CG1-CG1 4.19Å; V542-V592 HydrophobicContact CG2-CG1 3.84Å; V542-G595 PolarHBondContact O-N 2.82Å; V542-Q596 PolarHBondContact N-O 3.48Å; V542-I598 HydrophobicContact CG2-CD1 3.53Å; V542-I598 HydrophobicContact CG2-CG1 3.86Å
543	E	91.8	Very high	97.3	Very high	121 Å²	121	31.4 Å²	31.4	57%	0.565	16%	0.155	S	C	*	.	S	Bend	trans	-95.5	-7.7	-172.3	-60.7	178.9	162.9	0	0	114.3	H216 E594	H216-E543 IonicContact CE1-OE2 3.18Å; H216-E543 PolarHBondContact CE1-OE2 2.93Å; H216-E543 IonicContact ND1-OE2 3.58Å; H216-E543 PolarHBondContact ND1-OE2 2.73Å; E543-E594 WeakPolarHBondContact O-CG 3.27Å
544	V	92.8	Very high	97.3	Very high	10 Å²	10	28.7 Å²	28.7	6%	0.061	14%	0.14	C	C	.	.	S	Bend	trans	-144.3	152.2	-178.5	-65.7	0	0	0	0	110.4	H216 R220 V542 T546	H216-V544 HydrophobicContact CB-CG1 3.99Å; R220-V544 HydrophobicContact CB-CG2 4.46Å; V542-V544 WeakPolarHBondContact CG1-O 3.42Å; V544-T546 PolarHBondContact O-N 2.89Å
545	N	94.6	Very high	97.4	Very high	7 Å²	7	25.6 Å²	25.6	4%	0.037	13%	0.129	C	C	.	.			trans	-62.7	132.3	171.6	-57.3	-63.5	0	0	0	109.1	E183 W186 M187 R220 V592 R593 E594	E183-N545 WeakPolarHBondContact OE2-CB 3.15Å; E183-N545 PolarHBondContact OE2-N 3.26Å; E183-N545 VanDerWaalsContact OE2-N 3.09Å; E183-N545 PolarHBondContact OE2-ND2 2.81Å; W186-N545 HydrophobicContact CE3-CB 4.49Å; W186-N545 HydrophobicContact CZ3-CB 4.07Å; M187-N545 HydrophobicContact CE-CB 4.16Å; R220-N545 WeakPolarHBondContact CD-O 3.41Å; R220-N545 PolarHBondContact NH1-O 3.48Å; N545-V592 WeakPolarHBondContact CA-O 3.47Å; N545-R593 WeakPolarHBondContact OD1-CA 3.11Å; N545-E594 PolarHBondContact OD1-N 2.83Å
546	T	96.1	Very high	97.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	-176.3	-171.3	-161.1	0	0	0	0	111.9	L512 V542 V544 V592	L512-T546 HydrophobicContact CD1-CG2 3.61Å; L512-T546 HydrophobicContact CD2-CG2 3.74Å; L512-T546 WeakPolarHBondContact CD2-OG1 3.5Å; L512-T546 HydrophobicContact CG-CG2 4.24Å; V542-T546 HydrophobicContact CG1-CG2 3.75Å; V544-T546 PolarHBondContact O-N 2.89Å; T546-V592 HydrophobicContact CG2-CB 4.2Å; T546-V592 PolarHBondContact N-O 3.46Å; T546-V592 PolarHBondContact O-N 2.89Å
547	V	97.7	Very high	97.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	122.4	173.6	-179.4	0	0	0	0	109.2	W186 H190 S476 H549 P589 I590	W186-V547 HydrophobicContact CH2-CG2 4.14Å; W186-V547 HydrophobicContact CZ2-CG2 4.44Å; H190-V547 WeakPolarHBondContact CE1-CG2 3.3Å; S476-V547 WeakPolarHBondContact CA-O 3.38Å; S476-V547 WeakPolarHBondContact CB-O 3.47Å; S476-V547 PolarHBondContact OG-O 2.91Å; V547-H549 PolarHBondContact O-ND1 2.95Å; V547-P589 HydrophobicContact CG1-CB 3.4Å; V547-P589 VanDerWaalsContact CG1-CB 3.4Å; V547-I590 CarbonylContact C-O 3.47Å; V547-I590 WeakPolarHBondContact CA-O 3.1Å
548	L	98.6	Very high	97.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.3	170.9	179.1	65.7	0	0	0	109.2	P474 L512 G550 F551 I586 P589 I590 V592 I598 V617	P474-L548 HydrophobicContact CB-CD1 3.66Å; L512-L548 HydrophobicContact CD1-CD1 4.31Å; L548-G550 VanDerWaalsContact CD1-O 3.22Å; L548-G550 WeakPolarHBondContact CD1-O 3.42Å; L548-F551 HydrophobicContact CD1-CZ 4.36Å; L548-F551 HydrophobicContact CD2-CE2 4.38Å; L548-F551 HydrophobicContact CD2-CZ 3.99Å; L548-I586 HydrophobicContact CB-CD1 4.37Å; L548-I586 HydrophobicContact CD2-CD1 4.02Å; L548-I586 HydrophobicContact CG-CD1 3.87Å; L548-I586 WeakPolarHBondContact O-CD1 3.37Å; L548-P589 WeakPolarHBondContact O-CA 3.26Å; L548-I590 HydrophobicContact CB-CB 4.28Å; L548-I590 PolarHBondContact N-O 2.89Å; L548-I590 PolarHBondContact O-N 3.09Å; L548-V592 HydrophobicContact CB-CG2 4.23Å; L548-I598 HydrophobicContact CB-CD1 4.39Å; L548-I598 HydrophobicContact CD1-CD1 4.15Å; L548-I598 HydrophobicContact CD2-CD1 4.25Å; L548-I598 HydrophobicContact CD2-CG2 3.81Å; L548-V617 HydrophobicContact CD2-CG1 4.3Å; L548-V617 HydrophobicContact CD2-CG2 3.78Å
549	H	98.4	Very high	97.3	Very high	9 Å²	9	20 Å²	20	4%	0.042	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-15.6	176.7	-65.2	94	0	0	0	112.8	Y198 I475 S476 S477 Y481 V547 I586	Y198-H549 AromaticContact CE1-NE2 3.55Å; I475-H549 PolarHBondContact O-N 2.97Å; S476-H549 WeakPolarHBondContact CA-ND1 3.39Å; S476-H549 PolarHBondContact OG-CE1 2.82Å; S476-H549 PolarHBondContact OG-ND1 3.15Å; S477-H549 PolarHBondContact N-ND1 3.24Å; S477-H549 VanDerWaalsContact N-ND1 3.15Å; Y481-H549 AromaticContact CG-CD2 3.86Å; V547-H549 PolarHBondContact O-ND1 2.95Å; H549-I586 WeakPolarHBondContact O-CG1 3.45Å; H549-I586 PolarHBondContact O-N 3.42Å; H549-I586 VanDerWaalsContact O-N 3.07Å
550	G	98.5	Very high	97.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.3	-165.8	178.4	0	0	0	0	0	111.9	I475 L548 F584	I475-G550 WeakPolarHBondContact CG1-O 3.36Å; I475-G550 PolarHBondContact N-O 2.76Å; I475-G550 PolarHBondContact O-N 3Å; L548-G550 VanDerWaalsContact CD1-O 3.22Å; L548-G550 WeakPolarHBondContact CD1-O 3.42Å; G550-F584 CarbonylContact C-O 3.5Å; G550-F584 WeakPolarHBondContact CA-O 3.48Å
551	F	98.8	Very high	97.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.4	177.8	-58.9	-93.6	0	0	0	110.4	L472 A473 P474 F540 L548 L583 F584 I586 I598 V600 V617	L472-F551 HydrophobicContact CD2-CB 3.97Å; A473-F551 CarbonylContact O-C 3.58Å; A473-F551 VanDerWaalsContact O-CA 3.22Å; A473-F551 WeakPolarHBondContact O-CA 3.37Å; P474-F551 HydrophobicContact CB-CD1 4.13Å; P474-F551 HydrophobicContact CB-CE1 3.97Å; F540-F551 HydrophobicContact CD2-CE1 4.49Å; F540-F551 HydrophobicContact CE2-CE1 4.27Å; L548-F551 HydrophobicContact CD1-CZ 4.36Å; L548-F551 HydrophobicContact CD2-CE2 4.38Å; L548-F551 HydrophobicContact CD2-CZ 3.99Å; F551-L583 WeakPolarHBondContact O-CA 3.4Å; F551-F584 HydrophobicContact CB-CB 4.36Å; F551-F584 PolarHBondContact N-O 3.35Å; F551-F584 PolarHBondContact O-N 3.36Å; F551-I586 HydrophobicContact CE2-CG2 4.29Å; F551-I598 HydrophobicContact CE1-CG2 4.25Å; F551-I598 HydrophobicContact CZ-CG2 4.15Å; F551-V600 HydrophobicContact CD2-CG2 4.49Å; F551-V600 HydrophobicContact CE1-CB 3.85Å; F551-V600 HydrophobicContact CE1-CG1 3.9Å; F551-V600 HydrophobicContact CE1-CG2 4.14Å; F551-V600 HydrophobicContact CE2-CB 4.33Å; F551-V600 HydrophobicContact CE2-CG2 3.84Å; F551-V600 HydrophobicContact CZ-CB 3.61Å; F551-V600 HydrophobicContact CZ-CG1 4.18Å; F551-V600 HydrophobicContact CZ-CG2 3.65Å; F551-V617 HydrophobicContact CE2-CG2 3.94Å; F551-V617 HydrophobicContact CZ-CG2 3.96Å
552	A	98.7	Very high	97.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	133.4	165.3	0	0	0	0	0	109.3	L472 A473 I475 L506 Y554 I582	L472-A552 CarbonylContact C-O 3.59Å; L472-A552 WeakPolarHBondContact CA-O 3.44Å; A473-A552 PolarHBondContact N-O 2.97Å; A473-A552 PolarHBondContact O-N 3.02Å; I475-A552 HydrophobicContact CG2-CB 3.68Å; L506-A552 HydrophobicContact CD1-CB 3.52Å; A552-Y554 HydrophobicContact CB-CE2 3.72Å; A552-Y554 WeakPolarHBondContact CB-OH 3.43Å; A552-I582 CarbonylContact C-O 3.37Å; A552-I582 WeakPolarHBondContact CA-O 3.33Å
553	G	98.6	Very high	97.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.7	173.2	0	0	0	0	0	111	F471 P581 I582	F471-G553 CarbonylContact O-C 3.54Å; F471-G553 VanDerWaalsContact O-CA 3.26Å; F471-G553 WeakPolarHBondContact O-CA 3.49Å; G553-P581 WeakPolarHBondContact O-CA 3.23Å; G553-P581 WeakPolarHBondContact O-CB 3.4Å; G553-I582 PolarHBondContact N-O 2.94Å; G553-I582 PolarHBondContact O-N 2.99Å
554	Y	98.3	Very high	97.6	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.012	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	176.1	177.6	-49.5	-82.3	0	0	0	109.6	S470 F471 A473 Q511 P515 A552 P569 P581	S470-Y554 CarbonylContact C-O 3.56Å; S470-Y554 WeakPolarHBondContact CA-O 3.35Å; F471-Y554 PolarHBondContact N-O 3.41Å; F471-Y554 PolarHBondContact O-N 3.48Å; A473-Y554 HydrophobicContact CB-CE2 4.11Å; Q511-Y554 PolarHBondContact OE1-OH 3.03Å; P515-Y554 HydrophobicContact CB-CD2 4.06Å; P515-Y554 HydrophobicContact CB-CE2 4.27Å; P515-Y554 HydrophobicContact CG-CD2 4.04Å; P515-Y554 HydrophobicContact CG-CE2 3.86Å; A552-Y554 HydrophobicContact CB-CE2 3.72Å; A552-Y554 WeakPolarHBondContact CB-OH 3.43Å; Y554-P569 HydrophobicContact CE1-CG 3.98Å; Y554-P581 HydrophobicContact CD1-CB 3.95Å; Y554-P581 HydrophobicContact CD1-CG 3.87Å; Y554-P581 HydrophobicContact CE1-CB 3.76Å; Y554-P581 HydrophobicContact CE1-CG 3.55Å
555	F	98.1	Very high	97.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160.6	165.9	80.3	-88.3	0	0	0	113	L437 G438 A441 T469 T557 I567 W579	L437-F555 HydrophobicContact CB-CZ 4.45Å; L437-F555 HydrophobicContact CD1-CE2 3.95Å; L437-F555 HydrophobicContact CD1-CZ 4.44Å; G438-F555 WeakPolarHBondContact O-CD1 3.26Å; G438-F555 WeakPolarHBondContact O-CE1 3.14Å; A441-F555 HydrophobicContact CB-CB 3.57Å; A441-F555 HydrophobicContact CB-CD2 4.08Å; A441-F555 HydrophobicContact CB-CG 3.85Å; T469-F555 VanDerWaalsContact O-CA 3.27Å; T469-F555 WeakPolarHBondContact O-CA 3.3Å; F555-T557 HydrophobicContact CD2-CG2 4.44Å; F555-T557 HydrophobicContact CE2-CG2 3.91Å; F555-I567 HydrophobicContact CD1-CD1 3.53Å; F555-I567 HydrophobicContact CD1-CG1 3.6Å; F555-I567 HydrophobicContact CE1-CD1 3.84Å; F555-I567 HydrophobicContact CE1-CG1 3.9Å; F555-I567 HydrophobicContact CE1-CG2 4Å; F555-I567 HydrophobicContact CG-CG1 4.29Å; F555-I567 HydrophobicContact CZ-CG2 4.47Å; F555-I567 PolarHBondContact O-N 3.12Å; F555-I567 VanDerWaalsContact O-N 3.08Å; F555-W579 HydrophobicContact CE1-CD2 4.37Å; F555-W579 HydrophobicContact CE1-CG 4.16Å; F555-W579 HydrophobicContact CZ-CD2 4.3Å; F555-W579 HydrophobicContact CZ-CZ2 4.4Å
556	E	97.7	Very high	97.9	Very high	43 Å²	43	20.3 Å²	20.3	20%	0.201	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.6	163.5	-56.5	-169.6	130.1	0	0	109.3	Y468 T469 F471 L565 S566 R568 T571	Y468-E556 CarbonylContact C-O 3.53Å; Y468-E556 VanDerWaalsContact CA-O 3.22Å; Y468-E556 WeakPolarHBondContact CA-O 3.42Å; Y468-E556 WeakPolarHBondContact CB-O 3.35Å; T469-E556 PolarHBondContact N-O 3.3Å; T469-E556 PolarHBondContact O-N 2.73Å; F471-E556 HydrophobicContact CD2-CG 4.18Å; F471-E556 HydrophobicContact CE2-CB 3.89Å; F471-E556 HydrophobicContact CE2-CG 3.59Å; F471-E556 HydrophobicContact CZ-CG 4.19Å; F471-E556 VanDerWaalsContact CZ-OE2 3.31Å; F471-E556 WeakPolarHBondContact CZ-OE2 3.37Å; E556-L565 CarbonylContact C-O 3.54Å; E556-L565 WeakPolarHBondContact CA-O 3.39Å; E556-S566 PolarHBondContact OE1-OG 2.95Å; E556-R568 VanDerWaalsContact CD-CZ 3.44Å; E556-R568 HydrophobicContact CG-CB 4.2Å; E556-R568 IonicContact OE1-CZ 2.75Å; E556-R568 IonicContact OE1-NE 3.27Å; E556-R568 PolarHBondContact OE1-NE 2.96Å; E556-R568 IonicContact OE1-NH2 2.8Å; E556-R568 PolarHBondContact OE1-NH2 3.17Å; E556-R568 IonicContact OE2-CZ 3Å; E556-R568 IonicContact OE2-NE 3.72Å; E556-R568 IonicContact OE2-NH1 2.65Å; E556-R568 IonicContact OE2-NH2 2.82Å; E556-R568 PolarHBondContact OE2-NH2 3.35Å; E556-T571 VanDerWaalsContact OE1-CB 3.23Å; E556-T571 WeakPolarHBondContact OE1-CB 3.34Å; E556-T571 PolarHBondContact OE1-OG1 3.12Å
557	T	98.2	Very high	97.9	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.018	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.8	175.9	-176.7	0	0	0	0	111.4	L437 P465 E467 F555 L559 T564 L565	L437-T557 HydrophobicContact CD1-CG2 3.95Å; P465-T557 WeakPolarHBondContact CB-OG1 3.29Å; E467-T557 CarbonylContact O-C 3.33Å; E467-T557 VanDerWaalsContact O-CA 3.32Å; E467-T557 WeakPolarHBondContact O-CA 3.33Å; E467-T557 WeakPolarHBondContact O-CB 3.43Å; E467-T557 PolarHBondContact O-OG1 2.86Å; F555-T557 HydrophobicContact CD2-CG2 4.44Å; F555-T557 HydrophobicContact CE2-CG2 3.91Å; T557-L559 HydrophobicContact CG2-CD2 3.83Å; T557-T564 CarbonylContact O-C 3.57Å; T557-T564 WeakPolarHBondContact O-CA 3.34Å; T557-T564 WeakPolarHBondContact O-CB 3.17Å; T557-L565 HydrophobicContact CG2-CB 3.67Å; T557-L565 PolarHBondContact N-O 2.97Å; T557-L565 PolarHBondContact O-N 2.82Å
558	V	98.4	Very high	97.7	Very high	36 Å²	36	23 Å²	23	22%	0.218	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	110.8	162.9	-179.6	0	0	0	0	107	G466 E467 Q561 T564	G466-V558 PolarHBondContact N-O 2.84Å; E467-V558 HydrophobicContact CG-CB 3.68Å; E467-V558 HydrophobicContact CG-CG2 3.89Å; E467-V558 PolarHBondContact N-O 3.46Å; E467-V558 VanDerWaalsContact N-O 3.17Å; E467-V558 PolarHBondContact O-N 2.74Å; V558-Q561 WeakPolarHBondContact CG1-O 3.37Å; V558-T564 HydrophobicContact CG2-CG2 4.12Å
559	L	98.4	Very high	97.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	-55.3	175.5	-61.4	-171	0	0	0	109.6	Q336 Y337 A340 I464 P465 G466 T557 I563 L565	Q336-L559 HydrophobicContact CB-CD1 3.84Å; Y337-L559 HydrophobicContact CD1-CD1 4.24Å; Y337-L559 HydrophobicContact CD1-CD2 4.42Å; Y337-L559 HydrophobicContact CD2-CD1 3.89Å; Y337-L559 HydrophobicContact CE1-CD1 4.47Å; Y337-L559 HydrophobicContact CE1-CD2 3.86Å; Y337-L559 HydrophobicContact CE2-CD1 4.12Å; Y337-L559 HydrophobicContact CE2-CD2 3.95Å; Y337-L559 HydrophobicContact CG-CD1 3.94Å; A340-L559 HydrophobicContact CB-CB 3.63Å; A340-L559 HydrophobicContact CB-CD1 4.32Å; I464-L559 HydrophobicContact CG2-CB 4.04Å; P465-L559 HydrophobicContact CB-CD2 3.96Å; G466-L559 PolarHBondContact N-O 3.24Å; G466-L559 VanDerWaalsContact N-O 3.12Å; T557-L559 HydrophobicContact CG2-CD2 3.83Å; L559-I563 HydrophobicContact CB-CG2 4.31Å; L559-I563 WeakPolarHBondContact CB-O 3.44Å; L559-I563 HydrophobicContact CD1-CG2 4.23Å; L559-I563 PolarHBondContact N-O 2.99Å; L559-L565 HydrophobicContact CD1-CD1 3.92Å; L559-L565 HydrophobicContact CD1-CG 4.15Å; L559-L565 HydrophobicContact CD2-CD1 4.24Å; L559-L565 HydrophobicContact CG-CD1 4.4Å; L559-L565 HydrophobicContact CG-CG 4.49Å
560	Y	98.5	Very high	97	Very high	33 Å²	33	31 Å²	31	13%	0.129	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	121.7	175.7	-172.8	-105.8	0	0	0	109.7	K343 C344 D347 V462 D562 I563	K343-Y560 HydrophobicContact CB-CD1 4.08Å; K343-Y560 HydrophobicContact CB-CE1 4.29Å; K343-Y560 HydrophobicContact CD-CD1 4.22Å; K343-Y560 HydrophobicContact CD-CE1 4.39Å; K343-Y560 HydrophobicContact CG-CD1 4.24Å; K343-Y560 HydrophobicContact CG-CE1 4.15Å; C344-Y560 HydrophobicContact CB-CD1 4.05Å; C344-Y560 HydrophobicContact CB-CD2 4.16Å; C344-Y560 HydrophobicContact CB-CE1 3.89Å; C344-Y560 HydrophobicContact CB-CE2 4.02Å; C344-Y560 HydrophobicContact CB-CG 4.18Å; D347-Y560 PolarHBondContact OD2-OH 2.81Å; V462-Y560 HydrophobicContact CG1-CD2 3.9Å; V462-Y560 HydrophobicContact CG1-CE2 3.79Å; Y560-D562 PolarHBondContact O-N 2.99Å; Y560-D562 VanDerWaalsContact O-N 3.09Å; Y560-I563 PolarHBondContact N-O 3.32Å; Y560-I563 WeakPolarHBondContact O-CB 3.17Å; Y560-I563 PolarHBondContact O-N 3.02Å
561	Q	97.3	Very high	96.7	Very high	99 Å²	99	33.9 Å²	33.9	46%	0.463	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	-107.8	-179.3	-59.6	178.3	10	0	0	113.6	D347 V558	D347-Q561 PolarHBondContact OD2-NE2 2.84Å; V558-Q561 WeakPolarHBondContact CG1-O 3.37Å
562	D	97	Very high	96.4	Very high	107 Å²	107	36.4 Å²	36.4	57%	0.572	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-4.1	-178.5	61.1	-35.7	0	0	0	113.4	K343 Y560 T564	K343-D562 IonicContact NZ-OD1 2.81Å; K343-D562 PolarHBondContact NZ-OD1 3.48Å; K343-D562 IonicContact NZ-OD2 3.73Å; Y560-D562 PolarHBondContact O-N 2.99Å; Y560-D562 VanDerWaalsContact O-N 3.09Å; D562-T564 PolarHBondContact O-N 2.82Å
563	I	98.1	Very high	96.2	Very high	25 Å²	25	36.9 Å²	36.9	13%	0.128	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	115.8	178.5	-51.3	-58.4	0	0	0	109.6	Q336 Q339 A340 L559 Y560	Q336-I563 HydrophobicContact CB-CG2 4.19Å; Q336-I563 WeakPolarHBondContact O-CG2 3.34Å; Q339-I563 HydrophobicContact CB-CD1 4.21Å; Q339-I563 HydrophobicContact CB-CG2 4.47Å; A340-I563 HydrophobicContact CB-CB 4.22Å; A340-I563 HydrophobicContact CB-CG2 4.03Å; L559-I563 HydrophobicContact CB-CG2 4.31Å; L559-I563 WeakPolarHBondContact CB-O 3.44Å; L559-I563 HydrophobicContact CD1-CG2 4.23Å; L559-I563 PolarHBondContact N-O 2.99Å; Y560-I563 PolarHBondContact N-O 3.32Å; Y560-I563 WeakPolarHBondContact O-CB 3.17Å; Y560-I563 PolarHBondContact O-N 3.02Å
564	T	97.3	Very high	95.6	Very high	64 Å²	64	42.3 Å²	42.3	39%	0.393	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	158.7	-173.4	57.2	0	0	0	0	113	Q336 T557 V558 D562	Q336-T564 PolarHBondContact NE2-O 2.89Å; T557-T564 CarbonylContact O-C 3.57Å; T557-T564 WeakPolarHBondContact O-CA 3.34Å; T557-T564 WeakPolarHBondContact O-CB 3.17Å; V558-T564 HydrophobicContact CG2-CG2 4.12Å; D562-T564 PolarHBondContact O-N 2.82Å
565	L	97	Very high	94.9	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143.2	164.5	-69.4	169.6	0	0	0	109.2	Q336 Y337 E556 T557 L559 S573 M576 W579	Q336-L565 HydrophobicContact CB-CD1 4.47Å; Q336-L565 HydrophobicContact CB-CD2 3.83Å; Q336-L565 HydrophobicContact CB-CG 4.09Å; Q336-L565 HydrophobicContact CG-CD2 3.69Å; Q336-L565 HydrophobicContact CG-CG 4.39Å; Y337-L565 HydrophobicContact CD2-CD1 4.19Å; Y337-L565 HydrophobicContact CE2-CD1 3.83Å; E556-L565 CarbonylContact C-O 3.54Å; E556-L565 WeakPolarHBondContact CA-O 3.39Å; T557-L565 HydrophobicContact CG2-CB 3.67Å; T557-L565 PolarHBondContact N-O 2.97Å; T557-L565 PolarHBondContact O-N 2.82Å; L559-L565 HydrophobicContact CD1-CD1 3.92Å; L559-L565 HydrophobicContact CD1-CG 4.15Å; L559-L565 HydrophobicContact CD2-CD1 4.24Å; L559-L565 HydrophobicContact CG-CD1 4.4Å; L559-L565 HydrophobicContact CG-CG 4.49Å; L565-S573 WeakPolarHBondContact CA-OG 3.48Å; L565-M576 HydrophobicContact CB-SD 4.5Å; L565-M576 HydrophobicContact CD2-SD 3.89Å; L565-W579 HydrophobicContact CD1-CH2 4.37Å
566	S	96.7	Very high	94.3	Very high	4 Å²	4	44 Å²	44	3%	0.028	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	134.6	-179.3	167.8	0	0	0	0	111.6	E556 R568 T571 H572 S573 M576	E556-S566 PolarHBondContact OE1-OG 2.95Å; S566-R568 WeakPolarHBondContact OG-CB 3.43Å; S566-R568 PolarHBondContact OG-N 3.3Å; S566-T571 VanDerWaalsContact CB-O 3.3Å; S566-T571 WeakPolarHBondContact CB-O 3.18Å; S566-T571 PolarHBondContact OG-O 3.3Å; S566-T571 PolarHBondContact OG-OG1 3.28Å; S566-H572 WeakPolarHBondContact O-CA 3.32Å; S566-S573 PolarHBondContact N-OG 3.46Å; S566-S573 PolarHBondContact O-N 2.9Å; S566-M576 WeakPolarHBondContact O-CE 3.05Å
567	I	95.5	Very high	93.7	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.026	24%	0.241	C	C	.	.			trans	-102.5	2.5	166.6	61.8	166.7	0	0	0	112.5	S439 F555 M576 W579	S439-I567 VanDerWaalsContact O-CD1 3.31Å; S439-I567 WeakPolarHBondContact O-CD1 3.18Å; F555-I567 HydrophobicContact CD1-CD1 3.53Å; F555-I567 HydrophobicContact CD1-CG1 3.6Å; F555-I567 HydrophobicContact CE1-CD1 3.84Å; F555-I567 HydrophobicContact CE1-CG1 3.9Å; F555-I567 HydrophobicContact CE1-CG2 4Å; F555-I567 HydrophobicContact CG-CG1 4.29Å; F555-I567 HydrophobicContact CZ-CG2 4.47Å; F555-I567 PolarHBondContact O-N 3.12Å; F555-I567 VanDerWaalsContact O-N 3.08Å; I567-M576 HydrophobicContact CB-CE 4.34Å; I567-M576 HydrophobicContact CG2-CE 3.32Å; I567-W579 HydrophobicContact CG2-CB 3.58Å; I567-W579 HydrophobicContact CG2-CG 4.42Å
568	R	94.5	Very high	93	Very high	51 Å²	51	43.8 Å²	43.8	19%	0.192	25%	0.245	C	C	.	.	S	Bend	trans	-67.8	132.7	176	174.9	173.8	68.3	174.5	-5.1	109.1	P515 E556 S566 E570 T571 H572	P515-R568 HydrophobicContact CG-CG 4.27Å; E556-R568 VanDerWaalsContact CD-CZ 3.44Å; E556-R568 HydrophobicContact CG-CB 4.2Å; E556-R568 IonicContact OE1-CZ 2.75Å; E556-R568 IonicContact OE1-NE 3.27Å; E556-R568 PolarHBondContact OE1-NE 2.96Å; E556-R568 IonicContact OE1-NH2 2.8Å; E556-R568 PolarHBondContact OE1-NH2 3.17Å; E556-R568 IonicContact OE2-CZ 3Å; E556-R568 IonicContact OE2-NE 3.72Å; E556-R568 IonicContact OE2-NH1 2.65Å; E556-R568 IonicContact OE2-NH2 2.82Å; E556-R568 PolarHBondContact OE2-NH2 3.35Å; S566-R568 WeakPolarHBondContact OG-CB 3.43Å; S566-R568 PolarHBondContact OG-N 3.3Å; R568-E570 VanDerWaalsContact C-N 3.28Å; R568-E570 WeakPolarHBondContact CG-OE2 3.46Å; R568-E570 PolarHBondContact O-N 2.97Å; R568-E570 VanDerWaalsContact O-N 3.13Å; R568-T571 PolarHBondContact NE-OG1 2.95Å; R568-T571 CarbonylContact O-C 3.43Å; R568-T571 PolarHBondContact O-N 2.89Å; R568-T571 VanDerWaalsContact O-N 3.14Å; R568-H572 VanDerWaalsContact O-CA 3.27Å; R568-H572 WeakPolarHBondContact O-CA 3.46Å; R568-H572 WeakPolarHBondContact O-CB 3.29Å; R568-H572 PolarHBondContact O-N 3.43Å
569	P	90.8	Very high	92.7	Very high	67 Å²	67	42.9 Å²	42.9	44%	0.435	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-39.9	-173.7	-30.1	36.3	0	0	0	115.3	Y554 T571	Y554-P569 HydrophobicContact CE1-CG 3.98Å; P569-T571 PolarHBondContact O-N 3.24Å
570	E	90.7	Very high	92.5	Very high	111 Å²	111	43.5 Å²	43.5	52%	0.519	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-26	-174.9	-62.2	75.8	-162.7	0	0	113.6	R568	R568-E570 VanDerWaalsContact C-N 3.28Å; R568-E570 WeakPolarHBondContact CG-OE2 3.46Å; R568-E570 PolarHBondContact O-N 2.97Å; R568-E570 VanDerWaalsContact O-N 3.13Å
571	T	93.1	Very high	92.5	Very high	61 Å²	61	42.3 Å²	42.3	37%	0.374	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	15.8	-173.7	51.2	0	0	0	0	112	E556 S566 R568 P569 S573	E556-T571 VanDerWaalsContact OE1-CB 3.23Å; E556-T571 WeakPolarHBondContact OE1-CB 3.34Å; E556-T571 PolarHBondContact OE1-OG1 3.12Å; S566-T571 VanDerWaalsContact CB-O 3.3Å; S566-T571 WeakPolarHBondContact CB-O 3.18Å; S566-T571 PolarHBondContact OG-O 3.3Å; S566-T571 PolarHBondContact OG-OG1 3.28Å; R568-T571 PolarHBondContact NE-OG1 2.95Å; R568-T571 CarbonylContact O-C 3.43Å; R568-T571 PolarHBondContact O-N 2.89Å; R568-T571 VanDerWaalsContact O-N 3.14Å; P569-T571 PolarHBondContact O-N 3.24Å; T571-S573 PolarHBondContact O-N 2.6Å
572	H	92.6	Very high	92.5	Very high	52 Å²	52	37.6 Å²	37.6	24%	0.241	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-54.9	126.4	-171.9	-172.9	-69.6	0	0	0	110.7	S566 R568 P574 M576	S566-H572 WeakPolarHBondContact O-CA 3.32Å; R568-H572 VanDerWaalsContact O-CA 3.27Å; R568-H572 WeakPolarHBondContact O-CA 3.46Å; R568-H572 WeakPolarHBondContact O-CB 3.29Å; R568-H572 PolarHBondContact O-N 3.43Å; H572-P574 VanDerWaalsContact O-CD 3.26Å; H572-P574 WeakPolarHBondContact O-CD 3.49Å; H572-P574 VanDerWaalsContact O-N 3.14Å; H572-M576 PolarHBondContact CE1-O 3.13Å; H572-M576 VanDerWaalsContact CE1-O 3.32Å
573	S	92.7	Very high	92.6	Very high	10 Å²	10	32.7 Å²	32.7	7%	0.07	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-60.5	118.2	179.9	-61.7	0	0	0	0	110.2	L565 S566 T571 G575 M576	L565-S573 WeakPolarHBondContact CA-OG 3.48Å; S566-S573 PolarHBondContact N-OG 3.46Å; S566-S573 PolarHBondContact O-N 2.9Å; T571-S573 PolarHBondContact O-N 2.6Å; S573-G575 PolarHBondContact O-N 3.09Å; S573-M576 WeakPolarHBondContact O-CB 3.24Å; S573-M576 PolarHBondContact O-N 2.9Å
574	P	86.1	Confident	92.7	Very high	114 Å²	114	31.5 Å²	31.5	74%	0.74	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	131	-175.2	-26.1	35.2	0	0	0	111.9	I332 H572 M576	I332-P574 WeakPolarHBondContact CG1-O 3.5Å; H572-P574 VanDerWaalsContact O-CD 3.26Å; H572-P574 WeakPolarHBondContact O-CD 3.49Å; H572-P574 VanDerWaalsContact O-N 3.14Å; P574-M576 VanDerWaalsContact C-N 3.27Å; P574-M576 PolarHBondContact O-N 2.83Å
575	G	83.8	Confident	92.7	Very high	38 Å²	38	28.6 Å²	28.6	39%	0.392	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	-2.7	178.1	0	0	0	0	0	115.3	S573 F577	S573-G575 PolarHBondContact O-N 3.09Å; G575-F577 VanDerWaalsContact O-CD1 3.25Å; G575-F577 WeakPolarHBondContact O-CD1 3.4Å
576	M	86.4	Confident	92.8	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	17%	0.165	C	C	.	.			trans	-75.4	143.8	170.2	-163.9	175.1	66.6	0	0	110	D330 I332 L565 S566 I567 H572 S573 P574 W579	D330-M576 WeakPolarHBondContact OD2-CG 3.4Å; I332-M576 HydrophobicContact CB-CB 4.47Å; I332-M576 HydrophobicContact CG2-CB 4.45Å; L565-M576 HydrophobicContact CB-SD 4.5Å; L565-M576 HydrophobicContact CD2-SD 3.89Å; S566-M576 WeakPolarHBondContact O-CE 3.05Å; I567-M576 HydrophobicContact CB-CE 4.34Å; I567-M576 HydrophobicContact CG2-CE 3.32Å; H572-M576 PolarHBondContact CE1-O 3.13Å; H572-M576 VanDerWaalsContact CE1-O 3.32Å; S573-M576 WeakPolarHBondContact O-CB 3.24Å; S573-M576 PolarHBondContact O-N 2.9Å; P574-M576 VanDerWaalsContact C-N 3.27Å; P574-M576 PolarHBondContact O-N 2.83Å; M576-W579 HydrophobicContact CE-CE3 4.28Å; M576-W579 HydrophobicContact CG-CE3 4.02Å; M576-W579 HydrophobicContact CG-CZ3 4.12Å; M576-W579 HydrophobicContact SD-CE3 3.62Å; M576-W579 HydrophobicContact SD-CZ3 3.5Å; M576-W579 VanDerWaalsContact SD-CZ3 3.5Å
577	F	84.2	Confident	92.7	Very high	25 Å²	25	30 Å²	30	11%	0.11	17%	0.171	C	C	.	.			trans	-152.9	-7.1	-178.3	55.4	-104	0	0	0	116.9	A296 Y297 F300 K329 D330 G575 W579	A296-F577 HydrophobicContact CB-CD1 4.41Å; Y297-F577 HydrophobicContact CD2-CB 3.55Å; Y297-F577 HydrophobicContact CE2-CB 4.48Å; Y297-F577 HydrophobicContact CG-CB 4.32Å; F300-F577 HydrophobicContact CB-CB 4.26Å; F300-F577 HydrophobicContact CB-CD2 3.9Å; F300-F577 HydrophobicContact CB-CE2 4.45Å; F300-F577 HydrophobicContact CB-CG 4.14Å; F300-F577 HydrophobicContact CD1-CB 4.11Å; F300-F577 AromaticContact CD1-CD2 3.69Å; F300-F577 HydrophobicContact CD1-CD2 3.69Å; F300-F577 HydrophobicContact CD1-CG 4.29Å; F300-F577 WeakPolarHBondContact CD1-O 3.32Å; F300-F577 AromaticContact CD2-CD2 3.55Å; F300-F577 HydrophobicContact CD2-CD2 3.55Å; F300-F577 AromaticContact CD2-CE2 3.63Å; F300-F577 HydrophobicContact CD2-CE2 3.63Å; F300-F577 HydrophobicContact CE1-CD2 4.1Å; F300-F577 WeakPolarHBondContact CE1-O 3.2Å; F300-F577 AromaticContact CE2-CD2 3.97Å; F300-F577 HydrophobicContact CE2-CD2 3.97Å; F300-F577 AromaticContact CE2-CE2 4Å; F300-F577 HydrophobicContact CE2-CE2 4Å; F300-F577 HydrophobicContact CG-CB 4.28Å; F300-F577 AromaticContact CG-CD2 3.4Å; F300-F577 HydrophobicContact CG-CD2 3.4Å; F300-F577 AromaticContact CG-CE2 3.96Å; F300-F577 HydrophobicContact CG-CE2 3.96Å; F300-F577 HydrophobicContact CG-CG 4.08Å; F300-F577 HydrophobicContact CZ-CD2 4.24Å; K329-F577 HydrophobicContact CB-CE2 3.95Å; K329-F577 HydrophobicContact CB-CZ 4.11Å; K329-F577 WeakPolarHBondContact O-CZ 3.42Å; D330-F577 HydrophobicContact CB-CE2 4.36Å; D330-F577 HydrophobicContact CB-CZ 4.49Å; D330-F577 PolarHBondContact OD2-N 2.95Å; G575-F577 VanDerWaalsContact O-CD1 3.25Å; G575-F577 WeakPolarHBondContact O-CD1 3.4Å; F577-W579 PolarHBondContact O-N 2.88Å
578	S	83.7	Confident	92.7	Very high	16 Å²	16	37.3 Å²	37.3	11%	0.112	20%	0.204	C	C	.	.	S	Bend	trans	-76	-18.9	-175.1	52.2	0	0	0	0	114.8	D330	D330-S578 WeakPolarHBondContact CB-OG 3.34Å; D330-S578 WeakPolarHBondContact OD2-CB 3.46Å; D330-S578 PolarHBondContact OD2-N 3.46Å; D330-S578 PolarHBondContact OD2-OG 3.14Å
579	W	92.4	Very high	92.8	Very high	18 Å²	18	36.4 Å²	36.4	7%	0.068	21%	0.205	C	C	.	.			trans	-106.3	121.6	177.6	-70.9	-81.6	0	0	0	111.9	K333 E435 L437 F555 L565 I567 M576 F577	K333-W579 HydrophobicContact CB-CH2 4.29Å; K333-W579 HydrophobicContact CB-CZ3 4.06Å; K333-W579 HydrophobicContact CD-CE3 4.43Å; K333-W579 HydrophobicContact CD-CH2 3.01Å; K333-W579 HydrophobicContact CD-CZ2 3.68Å; K333-W579 HydrophobicContact CD-CZ3 3.43Å; K333-W579 VanDerWaalsContact CD-CZ3 3.43Å; K333-W579 HydrophobicContact CG-CH2 3.57Å; K333-W579 HydrophobicContact CG-CZ3 3.85Å; E435-W579 HydrophobicContact CG-CZ2 4.35Å; E435-W579 VanDerWaalsContact OE1-CZ2 3.27Å; E435-W579 WeakPolarHBondContact OE1-CZ2 3.49Å; L437-W579 PolarHBondContact O-NE1 3.18Å; F555-W579 HydrophobicContact CE1-CD2 4.37Å; F555-W579 HydrophobicContact CE1-CG 4.16Å; F555-W579 HydrophobicContact CZ-CD2 4.3Å; F555-W579 HydrophobicContact CZ-CZ2 4.4Å; L565-W579 HydrophobicContact CD1-CH2 4.37Å; I567-W579 HydrophobicContact CG2-CB 3.58Å; I567-W579 HydrophobicContact CG2-CG 4.42Å; M576-W579 HydrophobicContact CE-CE3 4.28Å; M576-W579 HydrophobicContact CG-CE3 4.02Å; M576-W579 HydrophobicContact CG-CZ3 4.12Å; M576-W579 HydrophobicContact SD-CE3 3.62Å; M576-W579 HydrophobicContact SD-CZ3 3.5Å; M576-W579 VanDerWaalsContact SD-CZ3 3.5Å; F577-W579 PolarHBondContact O-N 2.88Å
580	F	95.2	Very high	93.1	Very high	13 Å²	13	33.8 Å²	33.8	6%	0.057	19%	0.188	C	C	.	.			trans	-92.2	154.6	165.2	-61.9	-29	0	0	0	110.9	Y297 F300 A301 Y304 S439 V503 R505	Y297-F580 AromaticContact CE2-CD1 3.85Å; Y297-F580 HydrophobicContact CE2-CD1 3.85Å; Y297-F580 AromaticContact CE2-CE1 3.75Å; Y297-F580 HydrophobicContact CE2-CE1 3.75Å; F300-F580 HydrophobicContact CD1-CE1 4.28Å; F300-F580 HydrophobicContact CD1-CZ 4.11Å; F300-F580 HydrophobicContact CE1-CE1 4.23Å; F300-F580 AromaticContact CE1-CZ 3.86Å; F300-F580 HydrophobicContact CE1-CZ 3.86Å; A301-F580 HydrophobicContact CB-CE1 3.77Å; A301-F580 HydrophobicContact CB-CZ 3.82Å; Y304-F580 HydrophobicContact CD1-CE2 4.24Å; Y304-F580 HydrophobicContact CD2-CE2 4.46Å; Y304-F580 AromaticContact CG-CE2 3.88Å; Y304-F580 HydrophobicContact CG-CE2 3.88Å; Y304-F580 HydrophobicContact CG-CZ 4.33Å; S439-F580 WeakPolarHBondContact CB-O 3.06Å; S439-F580 PolarHBondContact OG-O 3.45Å; V503-F580 HydrophobicContact CG1-CB 3.88Å; R505-F580 HydrophobicContact CB-CD1 4.16Å; R505-F580 HydrophobicContact CB-CD2 4.16Å; R505-F580 HydrophobicContact CB-CE1 4.26Å; R505-F580 HydrophobicContact CB-CE2 4.26Å; R505-F580 HydrophobicContact CB-CG 4.11Å; R505-F580 HydrophobicContact CB-CZ 4.31Å
581	P	97.5	Very high	93.4	Very high	8 Å²	8	31.8 Å²	31.8	5%	0.052	18%	0.183	C	C	.	.			trans	-57.1	163.1	169.6	-24.9	35	0	0	0	112.8	V504 L506 G553 Y554	V504-P581 PolarHBondContact N-O 3.37Å; V504-P581 WeakPolarHBondContact O-CD 3.25Å; L506-P581 HydrophobicContact CD1-CB 3.96Å; L506-P581 HydrophobicContact CD1-CG 4.2Å; L506-P581 HydrophobicContact CG-CB 4.3Å; L506-P581 HydrophobicContact CG-CG 4.45Å; G553-P581 WeakPolarHBondContact O-CA 3.23Å; G553-P581 WeakPolarHBondContact O-CB 3.4Å; Y554-P581 HydrophobicContact CD1-CB 3.95Å; Y554-P581 HydrophobicContact CD1-CG 3.87Å; Y554-P581 HydrophobicContact CE1-CB 3.76Å; Y554-P581 HydrophobicContact CE1-CG 3.55Å
582	I	98.5	Very high	93.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	149.6	170.5	-160.8	165.4	0	0	0	110.2	P311 F440 P501 Y502 A552 G553 F584	P311-I582 HydrophobicContact CG-CD1 4.09Å; F440-I582 HydrophobicContact CB-CG2 3.9Å; F440-I582 HydrophobicContact CD2-CG2 3.91Å; F440-I582 HydrophobicContact CG-CG2 4.13Å; P501-I582 HydrophobicContact CB-CD1 3.73Å; P501-I582 HydrophobicContact CB-CG1 3.93Å; P501-I582 HydrophobicContact CG-CD1 4.34Å; Y502-I582 CarbonylContact O-C 3.59Å; Y502-I582 WeakPolarHBondContact O-CA 3.21Å; Y502-I582 WeakPolarHBondContact O-CG1 3.26Å; A552-I582 CarbonylContact C-O 3.37Å; A552-I582 WeakPolarHBondContact CA-O 3.33Å; G553-I582 PolarHBondContact N-O 2.94Å; G553-I582 PolarHBondContact O-N 2.99Å; I582-F584 HydrophobicContact CD1-CZ 4.32Å; I582-F584 HydrophobicContact CG2-CD2 4.2Å; I582-F584 HydrophobicContact CG2-CE2 3.44Å; I582-F584 VanDerWaalsContact CG2-CE2 3.44Å; I582-F584 HydrophobicContact CG2-CZ 3.93Å
583	L	98.8	Very high	93.7	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.4	176.7	172.1	64.5	0	0	0	109.2	L308 I475 L480 V484 P501 Y502 V504 F551 P585	L308-L583 HydrophobicContact CD2-CD2 4.04Å; I475-L583 HydrophobicContact CD1-CD1 3.61Å; I475-L583 HydrophobicContact CG1-CD1 4.35Å; L480-L583 HydrophobicContact CB-CD2 4.08Å; L480-L583 HydrophobicContact CD1-CD2 4.33Å; V484-L583 HydrophobicContact CG2-CD2 4.19Å; P501-L583 CarbonylContact C-O 3.45Å; P501-L583 WeakPolarHBondContact CA-O 3.37Å; Y502-L583 PolarHBondContact N-O 3.19Å; Y502-L583 PolarHBondContact O-N 3.08Å; V504-L583 HydrophobicContact CG1-CB 3.75Å; F551-L583 WeakPolarHBondContact O-CA 3.4Å; L583-P585 WeakPolarHBondContact O-CD 3.39Å
584	F	98.8	Very high	93.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	95.9	167	-61.5	-83.8	0	0	0	108.7	F440 L472 P501 G550 F551 I582 F602 Y613 W615	F440-F584 HydrophobicContact CD1-CE2 4.38Å; F440-F584 HydrophobicContact CD1-CZ 4.05Å; F440-F584 HydrophobicContact CD2-CE2 4.04Å; F440-F584 HydrophobicContact CD2-CZ 4.45Å; F440-F584 HydrophobicContact CE1-CE2 4.33Å; F440-F584 HydrophobicContact CE1-CZ 4.17Å; F440-F584 AromaticContact CE2-CE2 3.99Å; F440-F584 HydrophobicContact CE2-CE2 3.99Å; F440-F584 HydrophobicContact CG-CE2 4.24Å; F440-F584 HydrophobicContact CG-CZ 4.19Å; F440-F584 HydrophobicContact CZ-CE2 4.14Å; F440-F584 HydrophobicContact CZ-CZ 4.43Å; L472-F584 HydrophobicContact CD2-CD2 3.71Å; L472-F584 HydrophobicContact CD2-CE2 3.89Å; P501-F584 HydrophobicContact CB-CD1 3.79Å; P501-F584 HydrophobicContact CB-CE1 3.59Å; P501-F584 HydrophobicContact CB-CZ 4.32Å; P501-F584 HydrophobicContact CG-CE1 4.31Å; G550-F584 CarbonylContact C-O 3.5Å; G550-F584 WeakPolarHBondContact CA-O 3.48Å; F551-F584 HydrophobicContact CB-CB 4.36Å; F551-F584 PolarHBondContact N-O 3.35Å; F551-F584 PolarHBondContact O-N 3.36Å; I582-F584 HydrophobicContact CD1-CZ 4.32Å; I582-F584 HydrophobicContact CG2-CD2 4.2Å; I582-F584 HydrophobicContact CG2-CE2 3.44Å; I582-F584 VanDerWaalsContact CG2-CE2 3.44Å; I582-F584 HydrophobicContact CG2-CZ 3.93Å; F584-F602 HydrophobicContact CB-CE2 4.41Å; F584-F602 HydrophobicContact CD1-CE2 4.11Å; F584-F602 AromaticContact CD1-CZ 3.69Å; F584-F602 HydrophobicContact CD1-CZ 3.69Å; F584-F602 HydrophobicContact CD2-CE2 4.22Å; F584-F602 HydrophobicContact CD2-CZ 4.04Å; F584-F602 HydrophobicContact CE1-CE1 4.48Å; F584-F602 HydrophobicContact CE1-CE2 4.45Å; F584-F602 AromaticContact CE1-CZ 3.6Å; F584-F602 HydrophobicContact CE1-CZ 3.6Å; F584-F602 AromaticContact CE2-CZ 3.93Å; F584-F602 HydrophobicContact CE2-CZ 3.93Å; F584-F602 AromaticContact CG-CE2 3.99Å; F584-F602 HydrophobicContact CG-CE2 3.99Å; F584-F602 AromaticContact CG-CZ 3.92Å; F584-F602 HydrophobicContact CG-CZ 3.92Å; F584-F602 HydrophobicContact CZ-CE1 4.46Å; F584-F602 AromaticContact CZ-CZ 3.72Å; F584-F602 HydrophobicContact CZ-CZ 3.72Å; F584-Y613 AromaticContact CE1-CD2 3.8Å; F584-Y613 HydrophobicContact CE1-CD2 3.8Å; F584-Y613 HydrophobicContact CE1-CE2 4.44Å; F584-Y613 HydrophobicContact CE1-CG 4.1Å; F584-Y613 HydrophobicContact CZ-CD2 4.25Å; F584-Y613 HydrophobicContact CZ-CE2 4.49Å; F584-W615 HydrophobicContact CB-CD2 4.34Å; F584-W615 HydrophobicContact CB-CZ2 4.32Å; F584-W615 HydrophobicContact CD1-CD2 4.4Å; F584-W615 HydrophobicContact CD1-CE3 4.04Å; F584-W615 HydrophobicContact CD1-CH2 4.25Å; F584-W615 AromaticContact CD1-CZ3 3.98Å; F584-W615 HydrophobicContact CD1-CZ3 3.98Å
585	P	98.5	Very high	94	Very high	3 Å²	3	35 Å²	35	2%	0.019	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	163.6	-175.1	32.4	-36.1	0	0	0	111.7	V484 F498 M500 Y502 L583 W615	V484-P585 HydrophobicContact CG1-CB 4.27Å; V484-P585 HydrophobicContact CG1-CG 4.22Å; V484-P585 HydrophobicContact CG2-CB 4.08Å; V484-P585 HydrophobicContact CG2-CG 4.33Å; F498-P585 HydrophobicContact CD1-CB 4.17Å; M500-P585 VanDerWaalsContact O-CD 3.24Å; M500-P585 WeakPolarHBondContact O-CD 3.5Å; Y502-P585 HydrophobicContact CD2-CG 4.43Å; Y502-P585 HydrophobicContact CE2-CG 4.28Å; L583-P585 WeakPolarHBondContact O-CD 3.39Å; P585-W615 WeakPolarHBondContact O-CZ2 3.26Å; P585-W615 PolarHBondContact O-NE1 2.81Å
586	I	97.8	Very high	94.6	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.8	166.2	62.8	169.8	0	0	0	110.8	F498 L548 H549 F551 Q588 I590 V617	F498-I586 WeakPolarHBondContact CD1-O 3.48Å; L548-I586 HydrophobicContact CB-CD1 4.37Å; L548-I586 HydrophobicContact CD2-CD1 4.02Å; L548-I586 HydrophobicContact CG-CD1 3.87Å; L548-I586 WeakPolarHBondContact O-CD1 3.37Å; H549-I586 WeakPolarHBondContact O-CG1 3.45Å; H549-I586 PolarHBondContact O-N 3.42Å; H549-I586 VanDerWaalsContact O-N 3.07Å; F551-I586 HydrophobicContact CE2-CG2 4.29Å; I586-Q588 VanDerWaalsContact CD1-O 3.27Å; I586-Q588 WeakPolarHBondContact CD1-O 3.46Å; I586-I590 HydrophobicContact CD1-CB 4.32Å; I586-I590 HydrophobicContact CD1-CD1 3.72Å; I586-I590 HydrophobicContact CD1-CG1 3.8Å; I586-V617 HydrophobicContact CG2-CG2 4.31Å
587	K	94.8	Very high	95.2	Very high	33 Å²	33	38.8 Å²	38.8	14%	0.143	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	-51	-175.4	-68.5	169.5	-173	179.6	0	113.1	Y481 E495 F498 E499 H626	Y481-K587 PolarHBondContact OH-O 2.73Å; E495-K587 HydrophobicContact CB-CD 4.21Å; E495-K587 HydrophobicContact CB-CG 4.5Å; E495-K587 HydrophobicContact CG-CD 4.41Å; F498-K587 HydrophobicContact CB-CB 4.27Å; F498-K587 HydrophobicContact CB-CG 3.49Å; F498-K587 VanDerWaalsContact CB-CG 3.49Å; F498-K587 HydrophobicContact CD2-CG 4.48Å; F498-K587 HydrophobicContact CG-CB 4.44Å; F498-K587 HydrophobicContact CG-CG 4.13Å; E499-K587 VanDerWaalsContact OE1-CE 3.25Å; E499-K587 WeakPolarHBondContact OE1-CE 3.28Å; E499-K587 IonicContact OE1-NZ 2.91Å; E499-K587 PolarHBondContact OE1-NZ 2.85Å; K587-H626 PolarHBondContact N-NE2 3.02Å; K587-H626 VanDerWaalsContact N-NE2 3.15Å
588	Q	95.3	Very high	95.9	Very high	157 Å²	157	37.6 Å²	37.6	73%	0.734	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.1	-178.8	-68.3	-177.4	-16.6	0	0	108.6	I586 I590	I586-Q588 VanDerWaalsContact CD1-O 3.27Å; I586-Q588 WeakPolarHBondContact CD1-O 3.46Å; Q588-I590 PolarHBondContact O-N 3.14Å
589	P	97	Very high	96.6	Very high	33 Å²	33	37.5 Å²	37.5	21%	0.214	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	132.9	172	-22.3	32.6	0	0	0	110.5	Y198 Y481 V547 L548	Y198-P589 HydrophobicContact CE2-CG 4.26Å; Y481-P589 HydrophobicContact CD1-CG 4.3Å; Y481-P589 HydrophobicContact CD2-CG 4.08Å; Y481-P589 HydrophobicContact CE1-CG 3.88Å; Y481-P589 HydrophobicContact CE2-CG 3.66Å; Y481-P589 HydrophobicContact CG-CG 4.39Å; V547-P589 HydrophobicContact CG1-CB 3.4Å; V547-P589 VanDerWaalsContact CG1-CB 3.4Å; L548-P589 WeakPolarHBondContact O-CA 3.26Å
590	I	97.9	Very high	96.9	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.062	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117	-177.8	-64	170.5	0	0	0	108.6	V547 L548 I586 Q588 V592 V617 P620 V621	V547-I590 CarbonylContact C-O 3.47Å; V547-I590 WeakPolarHBondContact CA-O 3.1Å; L548-I590 HydrophobicContact CB-CB 4.28Å; L548-I590 PolarHBondContact N-O 2.89Å; L548-I590 PolarHBondContact O-N 3.09Å; I586-I590 HydrophobicContact CD1-CB 4.32Å; I586-I590 HydrophobicContact CD1-CD1 3.72Å; I586-I590 HydrophobicContact CD1-CG1 3.8Å; Q588-I590 PolarHBondContact O-N 3.14Å; I590-V592 HydrophobicContact CG2-CG2 4.16Å; I590-V592 PolarHBondContact O-N 2.92Å; I590-V617 HydrophobicContact CD1-CB 3.79Å; I590-V617 HydrophobicContact CD1-CG1 3.83Å; I590-V617 HydrophobicContact CD1-CG2 4.03Å; I590-P620 HydrophobicContact CG2-CG 4.47Å; I590-V621 HydrophobicContact CG2-CB 3.88Å; I590-V621 HydrophobicContact CG2-CG2 4.05Å
591	T	96.5	Very high	97.1	Very high	68 Å²	68	39.5 Å²	39.5	42%	0.417	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.6	170.6	-57.8	0	0	0	0	109.6	H190	H190-T591 PolarHBondContact NE2-OG1 2.71Å
592	V	96.6	Very high	97.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.9	179.5	-174.8	0	0	0	0	108.3	V542 N545 T546 L548 I590 Q596 I598 P620	V542-V592 HydrophobicContact CB-CG1 4.01Å; V542-V592 HydrophobicContact CG1-CG1 4.19Å; V542-V592 HydrophobicContact CG2-CG1 3.84Å; N545-V592 WeakPolarHBondContact CA-O 3.47Å; T546-V592 HydrophobicContact CG2-CB 4.2Å; T546-V592 PolarHBondContact N-O 3.46Å; T546-V592 PolarHBondContact O-N 2.89Å; L548-V592 HydrophobicContact CB-CG2 4.23Å; I590-V592 HydrophobicContact CG2-CG2 4.16Å; I590-V592 PolarHBondContact O-N 2.92Å; V592-Q596 HydrophobicContact CG1-CB 3.97Å; V592-I598 HydrophobicContact CG1-CD1 4.44Å; V592-I598 HydrophobicContact CG1-CG1 4.07Å; V592-I598 HydrophobicContact CG2-CD1 4.07Å; V592-I598 HydrophobicContact CG2-CG1 3.95Å; V592-P620 HydrophobicContact CG1-CG 4.29Å; V592-P620 HydrophobicContact CG2-CG 4.14Å
593	R	94.6	Very high	97.1	Very high	128 Å²	128	42.2 Å²	42.2	48%	0.483	22%	0.217	S	C	.	.			trans	-86.9	152.7	177.5	-65.5	179.7	171.8	178.1	-7.2	111.1	Y179 N545 G595 Q596	Y179-R593 PolarHBondContact OH-NH2 3.15Å; Y179-R593 VanDerWaalsContact OH-NH2 3.14Å; N545-R593 WeakPolarHBondContact OD1-CA 3.11Å; R593-G595 PolarHBondContact O-N 2.99Å; R593-Q596 HydrophobicContact CB-CG 4Å; R593-Q596 VanDerWaalsContact O-CB 3.27Å; R593-Q596 WeakPolarHBondContact O-CB 3.06Å; R593-Q596 PolarHBondContact O-N 2.9Å
594	E	92.7	Very high	97.1	Very high	108 Å²	108	42 Å²	42	51%	0.505	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	136.4	169	178.3	179.6	174.2	0	0	110.9	E543 N545 Q596	E543-E594 WeakPolarHBondContact O-CG 3.27Å; N545-E594 PolarHBondContact OD1-N 2.83Å; E594-Q596 PolarHBondContact O-N 3.34Å
595	G	93.2	Very high	97.1	Very high	68 Å²	68	43 Å²	43	70%	0.701	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.4	-5	-178.4	0	0	0	0	0	114.8	V542 R593	V542-G595 PolarHBondContact O-N 2.82Å; R593-G595 PolarHBondContact O-N 2.99Å
596	Q	97	Very high	97	Very high	67 Å²	67	44.1 Å²	44.1	31%	0.313	23%	0.23	S	C	.	.			trans	-79.4	158.4	170.1	-65.3	-172.6	-40.4	0	0	111.6	V542 V592 R593 E594	V542-Q596 PolarHBondContact N-O 3.48Å; V592-Q596 HydrophobicContact CG1-CB 3.97Å; R593-Q596 HydrophobicContact CB-CG 4Å; R593-Q596 VanDerWaalsContact O-CB 3.27Å; R593-Q596 WeakPolarHBondContact O-CB 3.06Å; R593-Q596 PolarHBondContact O-N 2.9Å; E594-Q596 PolarHBondContact O-N 3.34Å
597	T	98.3	Very high	96.9	Very high	53 Å²	53	47.5 Å²	47.5	33%	0.325	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.8	176	-55.8	0	0	0	0	109.7	E539 F540	E539-T597 HydrophobicContact CB-CG2 3.76Å; E539-T597 HydrophobicContact CG-CG2 4.46Å; F540-T597 WeakPolarHBondContact O-CA 3.37Å
598	I	98.6	Very high	96.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	118.3	168.4	-63.2	166.8	0	0	0	107.6	P474 L512 E539 F540 V542 L548 F551 V592 V617 A619	P474-I598 HydrophobicContact CB-CD1 3.86Å; P474-I598 HydrophobicContact CG-CD1 4.3Å; L512-I598 HydrophobicContact CD1-CD1 4.04Å; E539-I598 CarbonylContact C-O 3.56Å; E539-I598 WeakPolarHBondContact CA-O 3.36Å; F540-I598 HydrophobicContact CB-CB 4.32Å; F540-I598 PolarHBondContact N-O 2.96Å; F540-I598 PolarHBondContact O-N 3.45Å; V542-I598 HydrophobicContact CG2-CD1 3.53Å; V542-I598 HydrophobicContact CG2-CG1 3.86Å; L548-I598 HydrophobicContact CB-CD1 4.39Å; L548-I598 HydrophobicContact CD1-CD1 4.15Å; L548-I598 HydrophobicContact CD2-CD1 4.25Å; L548-I598 HydrophobicContact CD2-CG2 3.81Å; F551-I598 HydrophobicContact CE1-CG2 4.25Å; F551-I598 HydrophobicContact CZ-CG2 4.15Å; V592-I598 HydrophobicContact CG1-CD1 4.44Å; V592-I598 HydrophobicContact CG1-CG1 4.07Å; V592-I598 HydrophobicContact CG2-CD1 4.07Å; V592-I598 HydrophobicContact CG2-CG1 3.95Å; I598-V617 HydrophobicContact CG2-CG1 4.36Å; I598-A619 WeakPolarHBondContact CA-O 3.18Å
599	C	98.6	Very high	96.7	Very high	13 Å²	13	51.3 Å²	51.3	9%	0.088	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	113.6	175	-60.4	0	0	0	0	109.5	L538 E539 T618 A619	L538-C599 CarbonylContact O-C 3.57Å; L538-C599 WeakPolarHBondContact O-CA 3.35Å; E539-C599 HydrophobicContact CG-CB 4.49Å; C599-T618 PolarHBondContact O-N 2.99Å; C599-T618 PolarHBondContact O-OG1 3.39Å; C599-T618 VanDerWaalsContact O-OG1 3.09Å; C599-A619 HydrophobicContact CB-CB 3.79Å; C599-A619 PolarHBondContact N-O 2.95Å
600	V	98.7	Very high	96.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139.3	176.3	64.8	0	0	0	0	110.7	T537 L538 F540 F551 F602 A616	T537-V600 WeakPolarHBondContact CA-O 3.44Å; L538-V600 HydrophobicContact CB-CG1 3.78Å; L538-V600 HydrophobicContact CD1-CG1 4.48Å; L538-V600 HydrophobicContact CG-CG1 4.44Å; L538-V600 PolarHBondContact N-O 3.35Å; L538-V600 PolarHBondContact O-N 3.49Å; F540-V600 HydrophobicContact CD2-CG1 4.45Å; F540-V600 HydrophobicContact CE2-CG1 3.78Å; F551-V600 HydrophobicContact CD2-CG2 4.49Å; F551-V600 HydrophobicContact CE1-CB 3.85Å; F551-V600 HydrophobicContact CE1-CG1 3.9Å; F551-V600 HydrophobicContact CE1-CG2 4.14Å; F551-V600 HydrophobicContact CE2-CB 4.33Å; F551-V600 HydrophobicContact CE2-CG2 3.84Å; F551-V600 HydrophobicContact CZ-CB 3.61Å; F551-V600 HydrophobicContact CZ-CG1 4.18Å; F551-V600 HydrophobicContact CZ-CG2 3.65Å; V600-F602 HydrophobicContact CG2-CD2 4.43Å; V600-A616 WeakPolarHBondContact CA-O 3.46Å; V600-A616 WeakPolarHBondContact CG2-O 3.26Å
601	R	98.7	Very high	96.6	Very high	73 Å²	73	51.8 Å²	51.8	28%	0.275	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.8	168.6	-53.5	-60.5	172.4	164.1	-5.4	106.9	Y535 T537 W603 W615 A616 T618	Y535-R601 HydrophobicContact CE2-CB 4.2Å; Y535-R601 WeakPolarHBondContact OH-CD 3.18Å; Y535-R601 PolarHBondContact OH-NH1 2.85Å; T537-R601 VanDerWaalsContact OG1-CD 3.23Å; T537-R601 WeakPolarHBondContact OG1-CD 3.43Å; T537-R601 PolarHBondContact OG1-NH1 2.88Å; R601-W603 HydrophobicContact CB-CE3 4.37Å; R601-W603 HydrophobicContact CB-CH2 3.18Å; R601-W603 HydrophobicContact CB-CZ2 3.81Å; R601-W603 HydrophobicContact CB-CZ3 3.51Å; R601-W603 HydrophobicContact CG-CH2 4.13Å; R601-W603 VanDerWaalsContact O-CZ3 3.27Å; R601-W603 WeakPolarHBondContact O-CZ3 3.34Å; R601-W615 WeakPolarHBondContact O-CA 3.5Å; R601-A616 PolarHBondContact N-O 3.23Å; R601-A616 PolarHBondContact O-N 2.77Å; R601-T618 HydrophobicContact CG-CG2 3.53Å; R601-T618 PolarHBondContact NE-OG1 3.36Å
602	F	98.7	Very high	96.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.9	-173.7	-150.1	-85.2	0	0	0	109.4	F440 L472 F519 Y535 C536 F584 V600 Y613 W615	F440-F602 HydrophobicContact CE1-CE1 4.06Å; F440-F602 HydrophobicContact CZ-CE1 4.34Å; L472-F602 HydrophobicContact CD1-CB 4.16Å; L472-F602 HydrophobicContact CD1-CD1 4.12Å; L472-F602 HydrophobicContact CD1-CD2 3.39Å; L472-F602 HydrophobicContact CD1-CE1 4.37Å; L472-F602 HydrophobicContact CD1-CE2 3.69Å; L472-F602 HydrophobicContact CD1-CG 3.63Å; L472-F602 HydrophobicContact CD1-CZ 4.17Å; L472-F602 HydrophobicContact CD2-CE2 4.15Å; L472-F602 HydrophobicContact CD2-CZ 4.43Å; F519-F602 AromaticContact CE2-CD1 3.65Å; F519-F602 HydrophobicContact CE2-CD1 3.65Å; F519-F602 AromaticContact CE2-CE1 3.98Å; F519-F602 HydrophobicContact CE2-CE1 3.98Å; F519-F602 AromaticContact CZ-CD1 3.61Å; F519-F602 HydrophobicContact CZ-CD1 3.61Å; F519-F602 HydrophobicContact CZ-CE1 4.39Å; Y535-F602 WeakPolarHBondContact CA-O 3.26Å; C536-F602 PolarHBondContact N-O 3.42Å; C536-F602 PolarHBondContact O-N 2.95Å; C536-F602 VanDerWaalsContact O-N 3.13Å; F584-F602 HydrophobicContact CB-CE2 4.41Å; F584-F602 HydrophobicContact CD1-CE2 4.11Å; F584-F602 AromaticContact CD1-CZ 3.69Å; F584-F602 HydrophobicContact CD1-CZ 3.69Å; F584-F602 HydrophobicContact CD2-CE2 4.22Å; F584-F602 HydrophobicContact CD2-CZ 4.04Å; F584-F602 HydrophobicContact CE1-CE1 4.48Å; F584-F602 HydrophobicContact CE1-CE2 4.45Å; F584-F602 AromaticContact CE1-CZ 3.6Å; F584-F602 HydrophobicContact CE1-CZ 3.6Å; F584-F602 AromaticContact CE2-CZ 3.93Å; F584-F602 HydrophobicContact CE2-CZ 3.93Å; F584-F602 AromaticContact CG-CE2 3.99Å; F584-F602 HydrophobicContact CG-CE2 3.99Å; F584-F602 AromaticContact CG-CZ 3.92Å; F584-F602 HydrophobicContact CG-CZ 3.92Å; F584-F602 HydrophobicContact CZ-CE1 4.46Å; F584-F602 AromaticContact CZ-CZ 3.72Å; F584-F602 HydrophobicContact CZ-CZ 3.72Å; V600-F602 HydrophobicContact CG2-CD2 4.43Å; F602-Y613 AromaticContact CE1-CD1 3.89Å; F602-Y613 HydrophobicContact CE1-CD1 3.89Å; F602-Y613 HydrophobicContact CE1-CG 4.18Å; F602-W615 HydrophobicContact CD2-CB 3.41Å; F602-W615 VanDerWaalsContact CD2-CB 3.41Å; F602-W615 HydrophobicContact CD2-CG 4.34Å; F602-W615 HydrophobicContact CE2-CB 3.55Å; F602-W615 HydrophobicContact CE2-CD2 4.42Å; F602-W615 HydrophobicContact CE2-CG 4.04Å; F602-W615 HydrophobicContact CG-CB 4.25Å; F602-W615 HydrophobicContact CZ-CB 4.48Å
603	W	98.7	Very high	96.8	Very high	65 Å²	65	49.7 Å²	49.7	25%	0.246	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.8	-179	-60.5	-99.3	0	0	0	109.9	R534 Y535 R601 Y613 E614 A616	R534-W603 CarbonylContact O-C 3.54Å; R534-W603 WeakPolarHBondContact O-CA 3.3Å; Y535-W603 AromaticContact CD2-CD1 3.44Å; Y535-W603 VanDerWaalsContact CD2-CD1 3.44Å; Y535-W603 AromaticContact CD2-CD2 3.99Å; Y535-W603 HydrophobicContact CD2-CD2 3.99Å; Y535-W603 AromaticContact CD2-CE2 3.47Å; Y535-W603 VanDerWaalsContact CD2-CE2 3.47Å; Y535-W603 AromaticContact CD2-CG 3.98Å; Y535-W603 HydrophobicContact CD2-CG 3.98Å; Y535-W603 HydrophobicContact CD2-CZ2 4.09Å; Y535-W603 AromaticContact CD2-NE1 3.08Å; Y535-W603 HydrophobicContact CE2-CD2 4.35Å; Y535-W603 AromaticContact CE2-CE2 3.55Å; Y535-W603 AromaticContact CE2-CZ2 3.66Å; Y535-W603 HydrophobicContact CE2-CZ2 3.66Å; Y535-W603 AromaticContact CE2-NE1 3.53Å; Y535-W603 AromaticContact CG-NE1 3.85Å; R601-W603 HydrophobicContact CB-CE3 4.37Å; R601-W603 HydrophobicContact CB-CH2 3.18Å; R601-W603 HydrophobicContact CB-CZ2 3.81Å; R601-W603 HydrophobicContact CB-CZ3 3.51Å; R601-W603 HydrophobicContact CG-CH2 4.13Å; R601-W603 VanDerWaalsContact O-CZ3 3.27Å; R601-W603 WeakPolarHBondContact O-CZ3 3.34Å; W603-Y613 VanDerWaalsContact O-CA 3.29Å; W603-Y613 WeakPolarHBondContact O-CA 3.24Å; W603-E614 HydrophobicContact CB-CB 4.2Å; W603-E614 HydrophobicContact CE3-CB 4.13Å; W603-E614 PolarHBondContact N-O 2.63Å; W603-E614 PolarHBondContact O-N 2.7Å; W603-A616 HydrophobicContact CH2-CB 4.47Å; W603-A616 HydrophobicContact CZ3-CB 4.14Å
604	R	98.4	Very high	97	Very high	1 Å²	1	45 Å²	45	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.4	160.3	-177.5	-172.7	-168.5	-82.3	0.8	106.7	D442 E448 F519 N532 N533 R534 V611 Y613	D442-R604 VanDerWaalsContact OD2-CD 3.31Å; D442-R604 WeakPolarHBondContact OD2-CD 3.31Å; D442-R604 IonicContact OD2-CZ 3.73Å; D442-R604 IonicContact OD2-NE 3.59Å; D442-R604 PolarHBondContact OD2-NE 2.89Å; D442-R604 IonicContact OD2-NH2 3.5Å; E448-R604 IonicContact OE1-CZ 2.68Å; E448-R604 IonicContact OE1-NH1 3.43Å; E448-R604 PolarHBondContact OE1-NH1 3Å; E448-R604 IonicContact OE1-NH2 3.8Å; E448-R604 PolarHBondContact OE1-NH2 2.93Å; E448-R604 IonicContact OE2-CZ 3.35Å; E448-R604 IonicContact OE2-NH2 3.14Å; E448-R604 PolarHBondContact OE2-NH2 2.85Å; F519-R604 HydrophobicContact CD2-CB 4.11Å; F519-R604 HydrophobicContact CE2-CB 3.59Å; F519-R604 HydrophobicContact CZ-CB 3.95Å; N532-R604 VanDerWaalsContact CB-NH1 3.33Å; N532-R604 PolarHBondContact O-NH1 3.44Å; N533-R604 CarbonylContact C-O 3.54Å; N533-R604 VanDerWaalsContact CA-O 3.29Å; N533-R604 WeakPolarHBondContact CA-O 3.32Å; R534-R604 HydrophobicContact CB-CB 4.02Å; R534-R604 HydrophobicContact CG-CB 4.49Å; R534-R604 PolarHBondContact N-O 2.88Å; R534-R604 PolarHBondContact O-N 2.65Å; R604-V611 HydrophobicContact CG-CG1 4.2Å; R604-Y613 HydrophobicContact CB-CD1 4.13Å; R604-Y613 HydrophobicContact CB-CE1 4.16Å; R604-Y613 HydrophobicContact CG-CD1 4.19Å; R604-Y613 HydrophobicContact CG-CE1 3.87Å
605	C	98.4	Very high	97.3	Very high	19 Å²	19	39.8 Å²	39.8	13%	0.128	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.2	-176.9	-62	0	0	0	0	109.5	N533 V611 W612	N533-C605 VanDerWaalsContact OD1-CA 3.27Å; N533-C605 WeakPolarHBondContact OD1-CA 3.48Å; C605-V611 CarbonylContact O-C 3.57Å; C605-V611 VanDerWaalsContact O-CA 3.31Å; C605-V611 WeakPolarHBondContact O-CA 3.42Å; C605-W612 HydrophobicContact CB-CD2 3.73Å; C605-W612 HydrophobicContact CB-CE3 4.17Å; C605-W612 HydrophobicContact CB-CG 4.3Å; C605-W612 HydrophobicContact CB-CH2 3.79Å; C605-W612 HydrophobicContact CB-CZ2 3.32Å; C605-W612 HydrophobicContact CB-CZ3 4.19Å; C605-W612 PolarHBondContact N-O 3.25Å; C605-W612 PolarHBondContact O-N 2.8Å
606	S	96.6	Very high	97.6	Very high	28 Å²	28	36.8 Å²	36.8	20%	0.196	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	151	176.6	66.5	0	0	0	0	111.6	N533 K610	N533-S606 PolarHBondContact ND2-OG 2.86Å; N533-S606 PolarHBondContact OD1-N 3.35Å; S606-K610 WeakPolarHBondContact CA-O 3.48Å
607	N	95	Very high	97.6	Very high	71 Å²	71	33.6 Å²	33.6	38%	0.38	17%	0.172	S	C	.	.			trans	-141	-171.2	166.9	65.7	36.9	0	0	0	109.1	K609 K610 L637	N607-K609 PolarHBondContact O-N 3.38Å; N607-K609 PolarHBondContact OD1-N 2.84Å; N607-K610 PolarHBondContact N-O 2.78Å; N607-K610 PolarHBondContact OD1-N 2.71Å; N607-K610 PolarHBondContact OD1-O 2.98Å; N607-L637 WeakPolarHBondContact O-CD1 3.27Å
608	S	91.4	Very high	97.6	Very high	111 Å²	111	33.7 Å²	33.7	78%	0.776	17%	0.172	S	C	*	.	S	Bend	trans	-68.9	-0.3	-176.7	75.3	0	0	0	0	115.7
609	K	94.3	Very high	97.6	Very high	160 Å²	160	35 Å²	35	70%	0.696	18%	0.183	S	C	*	.	S	Bend	trans	-128.7	-25.4	-174.8	-62.7	-173.6	178.8	-176.1	0	114.2	N607 L637	N607-K609 PolarHBondContact O-N 3.38Å; N607-K609 PolarHBondContact OD1-N 2.84Å; K609-L637 PolarHBondContact O-N 3.49Å
610	K	96.5	Very high	97.5	Very high	54 Å²	54	36.5 Å²	36.5	24%	0.235	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	156.2	-171	63.9	-172.5	-155.4	164.4	0	112.6	S606 N607 W612 T629 G630 T634 I635	S606-K610 WeakPolarHBondContact CA-O 3.48Å; N607-K610 PolarHBondContact N-O 2.78Å; N607-K610 PolarHBondContact OD1-N 2.71Å; N607-K610 PolarHBondContact OD1-O 2.98Å; K610-W612 HydrophobicContact CG-CE3 3.95Å; K610-W612 HydrophobicContact CG-CZ3 4.01Å; K610-T629 PolarHBondContact NZ-O 3.45Å; K610-G630 PolarHBondContact NZ-O 2.95Å; K610-G630 VanDerWaalsContact NZ-O 3.12Å; K610-T634 HydrophobicContact CB-CG2 4.46Å; K610-T634 HydrophobicContact CD-CG2 3.5Å; K610-T634 HydrophobicContact CG-CG2 4.27Å; K610-I635 CarbonylContact C-O 3.56Å; K610-I635 VanDerWaalsContact CA-O 3.31Å; K610-I635 WeakPolarHBondContact CA-O 3.46Å
611	V	98.1	Very high	97.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	146.9	168.3	179.7	0	0	0	0	108.8	L445 E448 R604 C605 T634 I635 L637	L445-V611 HydrophobicContact CD2-CB 3.76Å; L445-V611 HydrophobicContact CD2-CG1 4.41Å; L445-V611 HydrophobicContact CD2-CG2 3.41Å; L445-V611 VanDerWaalsContact CD2-CG2 3.41Å; E448-V611 HydrophobicContact CG-CG2 4.45Å; R604-V611 HydrophobicContact CG-CG1 4.2Å; C605-V611 CarbonylContact O-C 3.57Å; C605-V611 VanDerWaalsContact O-CA 3.31Å; C605-V611 WeakPolarHBondContact O-CA 3.42Å; V611-T634 CarbonylContact O-C 3.52Å; V611-T634 WeakPolarHBondContact O-CA 3.48Å; V611-I635 HydrophobicContact CB-CB 4.42Å; V611-I635 HydrophobicContact CG1-CD1 4.46Å; V611-I635 PolarHBondContact N-O 3.2Å; V611-I635 PolarHBondContact O-N 2.92Å; V611-L637 HydrophobicContact CG2-CD1 4.22Å; V611-L637 HydrophobicContact CG2-CD2 4.38Å; V611-L637 HydrophobicContact CG2-CG 4.28Å
612	W	98.2	Very high	97.3	Very high	25 Å²	25	41.6 Å²	41.6	10%	0.095	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	162.1	172.3	67.5	98.8	0	0	0	111	C605 K610 E614 G630 T634	C605-W612 HydrophobicContact CB-CD2 3.73Å; C605-W612 HydrophobicContact CB-CE3 4.17Å; C605-W612 HydrophobicContact CB-CG 4.3Å; C605-W612 HydrophobicContact CB-CH2 3.79Å; C605-W612 HydrophobicContact CB-CZ2 3.32Å; C605-W612 HydrophobicContact CB-CZ3 4.19Å; C605-W612 PolarHBondContact N-O 3.25Å; C605-W612 PolarHBondContact O-N 2.8Å; K610-W612 HydrophobicContact CG-CE3 3.95Å; K610-W612 HydrophobicContact CG-CZ3 4.01Å; W612-E614 PolarHBondContact NE1-OE1 2.8Å; W612-G630 VanDerWaalsContact CD1-CA 3.48Å; W612-G630 VanDerWaalsContact CG-CA 3.47Å; W612-G630 VanDerWaalsContact NE1-N 3.18Å; W612-T634 HydrophobicContact CB-CG2 4.16Å
613	Y	98.7	Very high	97.2	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	147.4	171.5	-54.4	-69.4	0	0	0	110.6	F440 D442 N443 F519 F584 F602 W603 R604 N627 I635	F440-Y613 HydrophobicContact CD1-CE1 4.19Å; F440-Y613 HydrophobicContact CE1-CE1 4.35Å; D442-Y613 PolarHBondContact OD1-OH 2.75Å; D442-Y613 VanDerWaalsContact OD2-CE1 3.32Å; D442-Y613 WeakPolarHBondContact OD2-CE1 3.47Å; D442-Y613 PolarHBondContact OD2-OH 3.36Å; N443-Y613 VanDerWaalsContact CA-OH 3.24Å; N443-Y613 WeakPolarHBondContact CA-OH 3.2Å; N443-Y613 HydrophobicContact CB-CE2 4.03Å; N443-Y613 VanDerWaalsContact CB-OH 3.28Å; N443-Y613 WeakPolarHBondContact CB-OH 3.35Å; N443-Y613 PolarHBondContact N-OH 3.31Å; F519-Y613 HydrophobicContact CE2-CD1 4.47Å; F519-Y613 HydrophobicContact CE2-CE1 4.49Å; F584-Y613 AromaticContact CE1-CD2 3.8Å; F584-Y613 HydrophobicContact CE1-CD2 3.8Å; F584-Y613 HydrophobicContact CE1-CE2 4.44Å; F584-Y613 HydrophobicContact CE1-CG 4.1Å; F584-Y613 HydrophobicContact CZ-CD2 4.25Å; F584-Y613 HydrophobicContact CZ-CE2 4.49Å; F602-Y613 AromaticContact CE1-CD1 3.89Å; F602-Y613 HydrophobicContact CE1-CD1 3.89Å; F602-Y613 HydrophobicContact CE1-CG 4.18Å; W603-Y613 VanDerWaalsContact O-CA 3.29Å; W603-Y613 WeakPolarHBondContact O-CA 3.24Å; R604-Y613 HydrophobicContact CB-CD1 4.13Å; R604-Y613 HydrophobicContact CB-CE1 4.16Å; R604-Y613 HydrophobicContact CG-CD1 4.19Å; R604-Y613 HydrophobicContact CG-CE1 3.87Å; Y613-N627 WeakPolarHBondContact O-CB 3.34Å; Y613-N627 PolarHBondContact O-ND2 3.18Å; Y613-I635 HydrophobicContact CE2-CD1 4.1Å
614	E	98.7	Very high	97.1	Very high	28 Å²	28	42.9 Å²	42.9	13%	0.131	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.6	166.5	-51.6	-176.6	175.5	0	0	108.5	W603 W612 I625 H626 T629	W603-E614 HydrophobicContact CB-CB 4.2Å; W603-E614 HydrophobicContact CE3-CB 4.13Å; W603-E614 PolarHBondContact N-O 2.63Å; W603-E614 PolarHBondContact O-N 2.7Å; W612-E614 PolarHBondContact NE1-OE1 2.8Å; E614-I625 HydrophobicContact CB-CG2 3.98Å; E614-H626 WeakPolarHBondContact CA-O 3.34Å; E614-T629 PolarHBondContact OE1-N 2.84Å
615	W	98.7	Very high	97.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	148.8	177.2	64.5	98.6	0	0	0	112.5	F584 P585 R601 F602 H626 N627	F584-W615 HydrophobicContact CB-CD2 4.34Å; F584-W615 HydrophobicContact CB-CZ2 4.32Å; F584-W615 HydrophobicContact CD1-CD2 4.4Å; F584-W615 HydrophobicContact CD1-CE3 4.04Å; F584-W615 HydrophobicContact CD1-CH2 4.25Å; F584-W615 AromaticContact CD1-CZ3 3.98Å; F584-W615 HydrophobicContact CD1-CZ3 3.98Å; P585-W615 WeakPolarHBondContact O-CZ2 3.26Å; P585-W615 PolarHBondContact O-NE1 2.81Å; R601-W615 WeakPolarHBondContact O-CA 3.5Å; F602-W615 HydrophobicContact CD2-CB 3.41Å; F602-W615 VanDerWaalsContact CD2-CB 3.41Å; F602-W615 HydrophobicContact CD2-CG 4.34Å; F602-W615 HydrophobicContact CE2-CB 3.55Å; F602-W615 HydrophobicContact CE2-CD2 4.42Å; F602-W615 HydrophobicContact CE2-CG 4.04Å; F602-W615 HydrophobicContact CG-CB 4.25Å; F602-W615 HydrophobicContact CZ-CB 4.48Å; W615-H626 AromaticContact CD1-CG 3.96Å; W615-H626 AromaticContact CD1-ND1 3.84Å; W615-H626 HydrophobicContact CD2-CB 3.68Å; W615-H626 VanDerWaalsContact CE2-CB 3.41Å; W615-H626 AromaticContact CE2-CG 3.73Å; W615-H626 HydrophobicContact CE3-CB 4.15Å; W615-H626 HydrophobicContact CG-CB 4.13Å; W615-H626 HydrophobicContact CH2-CB 4.14Å; W615-H626 HydrophobicContact CZ2-CB 3.67Å; W615-H626 HydrophobicContact CZ3-CB 4.35Å; W615-H626 AromaticContact NE1-CD2 3.9Å; W615-H626 AromaticContact NE1-CG 3.5Å; W615-H626 AromaticContact NE1-ND1 3.78Å; W615-H626 WeakPolarHBondContact O-CB 3.34Å; W615-H626 PolarHBondContact O-N 3.06Å; W615-H626 PolarHBondContact O-ND1 2.75Å; W615-N627 HydrophobicContact CZ3-CB 4.2Å
616	A	98.5	Very high	97.1	Very high	5 Å²	5	45.7 Å²	45.7	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	141.7	177.8	0	0	0	0	0	111	V600 R601 W603 I625	V600-A616 WeakPolarHBondContact CA-O 3.46Å; V600-A616 WeakPolarHBondContact CG2-O 3.26Å; R601-A616 PolarHBondContact N-O 3.23Å; R601-A616 PolarHBondContact O-N 2.77Å; W603-A616 HydrophobicContact CH2-CB 4.47Å; W603-A616 HydrophobicContact CZ3-CB 4.14Å; A616-I625 HydrophobicContact CB-CG1 4.07Å
617	V	98.6	Very high	97.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129	169.9	-176.5	0	0	0	0	107.2	L548 F551 I586 I590 I598 A619 C622 S623	L548-V617 HydrophobicContact CD2-CG1 4.3Å; L548-V617 HydrophobicContact CD2-CG2 3.78Å; F551-V617 HydrophobicContact CE2-CG2 3.94Å; F551-V617 HydrophobicContact CZ-CG2 3.96Å; I586-V617 HydrophobicContact CG2-CG2 4.31Å; I590-V617 HydrophobicContact CD1-CB 3.79Å; I590-V617 HydrophobicContact CD1-CG1 3.83Å; I590-V617 HydrophobicContact CD1-CG2 4.03Å; I598-V617 HydrophobicContact CG2-CG1 4.36Å; V617-A619 WeakPolarHBondContact CG1-O 3.39Å; V617-C622 CarbonylContact O-C 3.51Å; V617-C622 WeakPolarHBondContact O-CA 3.47Å; V617-S623 PolarHBondContact N-OG 3.05Å; V617-S623 PolarHBondContact O-N 3.35Å; V617-S623 PolarHBondContact O-OG 3.16Å
618	T	98.3	Very high	97.2	Very high	54 Å²	54	42.8 Å²	42.8	33%	0.331	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-19.6	-177.9	51.2	0	0	0	0	113.2	C599 R601	C599-T618 PolarHBondContact O-N 2.99Å; C599-T618 PolarHBondContact O-OG1 3.39Å; C599-T618 VanDerWaalsContact O-OG1 3.09Å; R601-T618 HydrophobicContact CG-CG2 3.53Å; R601-T618 PolarHBondContact NE-OG1 3.36Å
619	A	98.2	Very high	97.4	Very high	28 Å²	28	42 Å²	42	23%	0.231	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	151.3	171.1	0	0	0	0	0	110	I598 C599 V617 V621	I598-A619 WeakPolarHBondContact CA-O 3.18Å; C599-A619 HydrophobicContact CB-CB 3.79Å; C599-A619 PolarHBondContact N-O 2.95Å; V617-A619 WeakPolarHBondContact CG1-O 3.39Å; A619-V621 VanDerWaalsContact C-N 3.35Å
620	P	96.7	Very high	97.6	Very high	44 Å²	44	34.7 Å²	34.7	29%	0.286	22%	0.216	S	C	.	.	S	Bend	cis	-75.3	-19.1	-0.9	31.3	-36.4	0	0	0	113.6	I590 V592	I590-P620 HydrophobicContact CG2-CG 4.47Å; V592-P620 HydrophobicContact CG1-CG 4.29Å; V592-P620 HydrophobicContact CG2-CG 4.14Å
621	V	96.1	Very high	97.5	Very high	79 Å²	79	38.2 Å²	38.2	48%	0.479	23%	0.228	S	C	.	.	S	Bend	trans	-120.6	132.1	176.8	-178.2	0	0	0	0	108.7	I590 A619	I590-V621 HydrophobicContact CG2-CB 3.88Å; I590-V621 HydrophobicContact CG2-CG2 4.05Å; A619-V621 VanDerWaalsContact C-N 3.35Å
622	C	97	Very high	97.4	Very high	101 Å²	101	38.8 Å²	38.8	68%	0.682	23%	0.232	S	C	*	.			trans	-75.7	127	178.3	-168.5	0	0	0	0	110.5	V617	V617-C622 CarbonylContact O-C 3.51Å; V617-C622 WeakPolarHBondContact O-CA 3.47Å
623	S	97.3	Very high	97.3	Very high	30 Å²	30	38.4 Å²	38.4	21%	0.21	23%	0.23	C	C	.	.			trans	-104.8	165.4	172.9	70.2	0	0	0	0	111.7	V617	V617-S623 PolarHBondContact N-OG 3.05Å; V617-S623 PolarHBondContact O-N 3.35Å; V617-S623 PolarHBondContact O-OG 3.16Å
624	A	96	Very high	97.2	Very high	63 Å²	63	40.2 Å²	40.2	52%	0.521	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-67	153.3	169.7	0	0	0	0	0	110.8	H626	A624-H626 PolarHBondContact O-CE1 3.39Å; A624-H626 VanDerWaalsContact O-CE1 3.24Å; A624-H626 PolarHBondContact O-N 3.05Å; A624-H626 PolarHBondContact O-ND1 2.97Å
625	I	97.8	Very high	97.1	Very high	78 Å²	78	39 Å²	39	40%	0.4	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-64.1	129.8	168.7	-60.9	173	0	0	0	108.6	E614 A616	E614-I625 HydrophobicContact CB-CG2 3.98Å; A616-I625 HydrophobicContact CB-CG1 4.07Å
626	H	98.4	Very high	96.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-88.8	142	176.2	-61.9	70.8	0	0	0	109.7	F498 E499 K587 E614 W615 A624 P628	F498-H626 PolarHBondContact O-CD2 3.34Å; E499-H626 HydrophobicContact CG-CB 4.34Å; K587-H626 PolarHBondContact N-NE2 3.02Å; K587-H626 VanDerWaalsContact N-NE2 3.15Å; E614-H626 WeakPolarHBondContact CA-O 3.34Å; W615-H626 AromaticContact CD1-CG 3.96Å; W615-H626 AromaticContact CD1-ND1 3.84Å; W615-H626 HydrophobicContact CD2-CB 3.68Å; W615-H626 VanDerWaalsContact CE2-CB 3.41Å; W615-H626 AromaticContact CE2-CG 3.73Å; W615-H626 HydrophobicContact CE3-CB 4.15Å; W615-H626 HydrophobicContact CG-CB 4.13Å; W615-H626 HydrophobicContact CH2-CB 4.14Å; W615-H626 HydrophobicContact CZ2-CB 3.67Å; W615-H626 HydrophobicContact CZ3-CB 4.35Å; W615-H626 AromaticContact NE1-CD2 3.9Å; W615-H626 AromaticContact NE1-CG 3.5Å; W615-H626 AromaticContact NE1-ND1 3.78Å; W615-H626 WeakPolarHBondContact O-CB 3.34Å; W615-H626 PolarHBondContact O-N 3.06Å; W615-H626 PolarHBondContact O-ND1 2.75Å; A624-H626 PolarHBondContact O-CE1 3.39Å; A624-H626 VanDerWaalsContact O-CE1 3.24Å; A624-H626 PolarHBondContact O-N 3.05Å; A624-H626 PolarHBondContact O-ND1 2.97Å; H626-P628 VanDerWaalsContact C-CD 3.47Å
627	N	97.6	Very high	96.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	54.4	41.1	177.7	-162.3	32.6	0	0	0	115.9	E499 Y613 W615 T629 G630 R631 S632 Y633	E499-N627 HydrophobicContact CB-CB 3.91Å; E499-N627 VanDerWaalsContact CD-N 3.35Å; E499-N627 VanDerWaalsContact O-CB 3.31Å; E499-N627 WeakPolarHBondContact O-CB 3.26Å; Y613-N627 WeakPolarHBondContact O-CB 3.34Å; Y613-N627 PolarHBondContact O-ND2 3.18Å; W615-N627 HydrophobicContact CZ3-CB 4.2Å; N627-T629 PolarHBondContact O-N 2.84Å; N627-G630 PolarHBondContact O-N 2.7Å; N627-G630 WeakPolarHBondContact OD1-CA 3.49Å; N627-R631 PolarHBondContact OD1-N 2.77Å; N627-S632 PolarHBondContact OD1-N 2.82Å; N627-Y633 PolarHBondContact ND2-O 2.81Å; N627-Y633 PolarHBondContact OD1-N 3.32Å; N627-Y633 PolarHBondContact OD1-O 3.43Å
628	P	96.8	Very high	96.5	Very high	37 Å²	37	43.7 Å²	43.7	24%	0.24	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-57.2	133.8	-177.9	26.4	-35.1	0	0	0	110.7	H626 G630 R631	H626-P628 VanDerWaalsContact C-CD 3.47Å; P628-G630 PolarHBondContact O-N 2.96Å; P628-G630 VanDerWaalsContact O-N 3.16Å; P628-R631 HydrophobicContact CG-CG 4.47Å; P628-R631 WeakPolarHBondContact O-CB 3.35Å; P628-R631 WeakPolarHBondContact O-CG 3.3Å; P628-R631 PolarHBondContact O-N 2.88Å
629	T	96.1	Very high	96.4	Very high	95 Å²	95	43.2 Å²	43.2	58%	0.583	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	60.6	14.1	-177.1	70.4	0	0	0	0	115.3	K610 E614 N627	K610-T629 PolarHBondContact NZ-O 3.45Å; E614-T629 PolarHBondContact OE1-N 2.84Å; N627-T629 PolarHBondContact O-N 2.84Å
630	G	96.7	Very high	96.3	Very high	6 Å²	6	44 Å²	44	6%	0.062	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	63.5	48.4	-175.4	0	0	0	0	0	110.9	K610 W612 N627 P628 T634	K610-G630 PolarHBondContact NZ-O 2.95Å; K610-G630 VanDerWaalsContact NZ-O 3.12Å; W612-G630 VanDerWaalsContact CD1-CA 3.48Å; W612-G630 VanDerWaalsContact CG-CA 3.47Å; W612-G630 VanDerWaalsContact NE1-N 3.18Å; N627-G630 PolarHBondContact O-N 2.7Å; N627-G630 WeakPolarHBondContact OD1-CA 3.49Å; P628-G630 PolarHBondContact O-N 2.96Å; P628-G630 VanDerWaalsContact O-N 3.16Å; G630-T634 WeakPolarHBondContact O-CG2 3.34Å
631	R	95.4	Very high	96.3	Very high	129 Å²	129	44 Å²	44	49%	0.487	26%	0.26	S	S	.	.	S	Bend	trans	-79	-27.1	-176.7	68.4	178.5	-175.1	166.3	7.9	113.6	E499 N627 P628	E499-R631 IonicContact OE1-CZ 2.93Å; E499-R631 IonicContact OE1-NE 3.24Å; E499-R631 PolarHBondContact OE1-NE 2.96Å; E499-R631 IonicContact OE1-NH2 2.73Å; E499-R631 PolarHBondContact OE1-NH2 3.28Å; E499-R631 IonicContact OE2-CZ 2.72Å; E499-R631 IonicContact OE2-NE 3.72Å; E499-R631 PolarHBondContact OE2-NE 3.42Å; E499-R631 IonicContact OE2-NH2 3.02Å; E499-R631 PolarHBondContact OE2-NH2 2.97Å; N627-R631 PolarHBondContact OD1-N 2.77Å; P628-R631 HydrophobicContact CG-CG 4.47Å; P628-R631 WeakPolarHBondContact O-CB 3.35Å; P628-R631 WeakPolarHBondContact O-CG 3.3Å; P628-R631 PolarHBondContact O-N 2.88Å
632	S	95.9	Very high	96.3	Very high	12 Å²	12	41.8 Å²	41.8	8%	0.084	25%	0.246	C	C	.	.	S	Bend	trans	-108.7	-35.1	-175.2	-64.5	0	0	0	0	111.7	E499 N627	E499-S632 VanDerWaalsContact CB-CB 3.48Å; E499-S632 PolarHBondContact OE2-OG 2.79Å; N627-S632 PolarHBondContact OD1-N 2.82Å
633	Y	95.6	Very high	96.3	Very high	16 Å²	16	37.9 Å²	37.9	6%	0.063	22%	0.217	C	C	.	.			trans	-145.8	138.7	174.8	177.4	-98.6	0	0	0	112.6	M500 P501 N627 I635	M500-Y633 HydrophobicContact CE-CD2 3.9Å; P501-Y633 HydrophobicContact CG-CD1 3.65Å; P501-Y633 HydrophobicContact CG-CE1 3.6Å; P501-Y633 HydrophobicContact CG-CG 4.34Å; N627-Y633 PolarHBondContact ND2-O 2.81Å; N627-Y633 PolarHBondContact OD1-N 3.32Å; N627-Y633 PolarHBondContact OD1-O 3.43Å; Y633-I635 HydrophobicContact CE1-CG1 3.78Å
634	T	97.2	Very high	96.2	Very high	39 Å²	39	38.4 Å²	38.4	24%	0.239	22%	0.217	C	C	.	.			trans	-143.8	153.2	174.5	56.7	0	0	0	0	109.6	Q313 K610 V611 W612 G630	Q313-T634 PolarHBondContact NE2-O 2.99Å; Q313-T634 PolarHBondContact OE1-O 3.29Å; K610-T634 HydrophobicContact CB-CG2 4.46Å; K610-T634 HydrophobicContact CD-CG2 3.5Å; K610-T634 HydrophobicContact CG-CG2 4.27Å; V611-T634 CarbonylContact O-C 3.52Å; V611-T634 WeakPolarHBondContact O-CA 3.48Å; W612-T634 HydrophobicContact CB-CG2 4.16Å; G630-T634 WeakPolarHBondContact O-CG2 3.34Å
635	I	97.2	Very high	96.2	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	116.4	168.6	-46.2	159.9	0	0	0	106.6	Q313 N443 L445 K610 V611 Y613 Y633	Q313-I635 HydrophobicContact CG-CG2 4.44Å; N443-I635 HydrophobicContact CB-CD1 4.18Å; N443-I635 WeakPolarHBondContact O-CD1 3.31Å; L445-I635 HydrophobicContact CD1-CG2 3.75Å; L445-I635 HydrophobicContact CD2-CB 4.23Å; L445-I635 HydrophobicContact CD2-CG2 3.89Å; L445-I635 HydrophobicContact CG-CB 4.48Å; L445-I635 HydrophobicContact CG-CG2 3.61Å; K610-I635 CarbonylContact C-O 3.56Å; K610-I635 VanDerWaalsContact CA-O 3.31Å; K610-I635 WeakPolarHBondContact CA-O 3.46Å; V611-I635 HydrophobicContact CB-CB 4.42Å; V611-I635 HydrophobicContact CG1-CD1 4.46Å; V611-I635 PolarHBondContact N-O 3.2Å; V611-I635 PolarHBondContact O-N 2.92Å; Y613-I635 HydrophobicContact CE2-CD1 4.1Å; Y633-I635 HydrophobicContact CE1-CG1 3.78Å
636	G	94.6	Very high	96.1	Very high	7 Å²	7	33.1 Å²	33.1	7%	0.072	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	138.2	-175.2	0	0	0	0	0	113.2	Q313 L445	Q313-G636 VanDerWaalsContact OE1-N 3.08Å; L445-G636 WeakPolarHBondContact CD1-O 3.29Å
637	L	91.5	Very high	95.9	Very high	54 Å²	54	36 Å²	36	28%	0.283	19%	0.193	S	C	.	.			trans	-91.3	0	175.3	-74	167.7	0	0	0	112.4	L315 R421 L445 E448 N607 K609 V611	L315-L637 HydrophobicContact CD2-CD2 4.43Å; L315-L637 VanDerWaalsContact CD2-OXT 3.3Å; L315-L637 WeakPolarHBondContact CD2-OXT 3.38Å; R421-L637 PolarHBondContact NH1-OXT 3.38Å; R421-L637 PolarHBondContact NH2-OXT 3.23Å; L445-L637 HydrophobicContact CD1-CD2 3.82Å; L445-L637 HydrophobicContact CD1-CG 4.45Å; L445-L637 HydrophobicContact CD2-CD2 4.05Å; L445-L637 HydrophobicContact CG-CD2 4.44Å; E448-L637 HydrophobicContact CB-CD2 3.66Å; E448-L637 HydrophobicContact CG-CD2 3.68Å; N607-L637 WeakPolarHBondContact O-CD1 3.27Å; K609-L637 PolarHBondContact O-N 3.49Å; V611-L637 HydrophobicContact CG2-CD1 4.22Å; V611-L637 HydrophobicContact CG2-CD2 4.38Å; V611-L637 HydrophobicContact CG2-CG 4.28Å

Retrieved 637 of 637 residues in 1321.2 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).