A0A3Q0KFV2_SCHMA Loading...

Putative beta1,3-galactosyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KFV2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 357 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	31.2	Very low	47.7	Very low	242 Å²	242	143.2 Å²	143.2	100%	1.192	75%	0.754	S	S	*	*				0	87.5	0	-83.6	177.6	165.9	0	0	110.1
2	V	39	Very low	49.1	Very low	141 Å²	141	138.3 Å²	138.3	86%	0.855	73%	0.734	S	S	*	*			trans	-165.4	107.2	149.2	177.2	0	0	0	0	105.4
3	Q	41.3	Very low	49.9	Very low	193 Å²	193	137.2 Å²	137.2	90%	0.902	72%	0.721	S	S	*	*			trans	-131.5	51	171.3	-145.5	175.3	7.2	0	0	109
4	K	44	Very low	50.7	Low	194 Å²	194	134.3 Å²	134.3	84%	0.843	71%	0.712	S	S	*	*			trans	-109.5	70.4	171.1	-86.9	-174.4	174.4	178.5	0	109.6
5	C	45	Very low	51.2	Low	100 Å²	100	132.3 Å²	132.3	68%	0.676	70%	0.702	S	S	*	*			trans	-152.7	22.8	166.2	-100.9	0	0	0	0	113.6
6	S	53	Low	52.1	Low	94 Å²	94	129.3 Å²	129.3	66%	0.657	69%	0.694	S	S	*	*	H	α-helix	trans	-86	-31.2	-180	62.5	0	0	0	0	114	R10	S6-R10 PolarHBondContact O-N 3.32Å
7	G	53.4	Low	52.8	Low	50 Å²	50	131.4 Å²	131.4	52%	0.515	70%	0.696	S	S	.	*	H	α-helix	trans	-73	-43.8	-174.8	0	0	0	0	0	114.3	R10 L11	G7-R10 PolarHBondContact O-N 3.16Å; G7-L11 PolarHBondContact O-N 3.19Å; G7-L11 VanDerWaalsContact O-N 3.15Å
8	L	53.9	Low	53.4	Low	134 Å²	134	129.2 Å²	129.2	70%	0.702	68%	0.684	S	S	*	*	H	α-helix	trans	-68.1	-39.1	-178.5	-148.7	77.5	0	0	0	111.4	R10 L11 V12	L8-R10 VanDerWaalsContact C-N 3.34Å; L8-R10 PolarHBondContact O-N 3.49Å; L8-L11 PolarHBondContact O-N 2.94Å; L8-V12 WeakPolarHBondContact O-CG2 3.38Å; L8-V12 PolarHBondContact O-N 3.09Å
9	N	54.8	Low	54.5	Low	111 Å²	111	132.3 Å²	132.3	59%	0.594	69%	0.685	S	S	*	*	H	α-helix	trans	-62.9	-38.3	174.4	-83.4	-6.7	0	0	0	112.1	H13	N9-H13 WeakPolarHBondContact O-CB 3.22Å; N9-H13 PolarHBondContact O-N 3.41Å
10	R	54	Low	55.7	Low	203 Å²	203	131.9 Å²	131.9	77%	0.766	68%	0.683	S	S	*	*	H	α-helix	trans	-63.1	-44.1	173.7	-90.2	-171.2	180	-157.5	0.9	111.9	S6 G7 L8 H13 T14	S6-R10 PolarHBondContact O-N 3.32Å; G7-R10 PolarHBondContact O-N 3.16Å; L8-R10 VanDerWaalsContact C-N 3.34Å; L8-R10 PolarHBondContact O-N 3.49Å; R10-H13 PolarHBondContact O-N 3.22Å; R10-T14 WeakPolarHBondContact O-CB 3.47Å; R10-T14 PolarHBondContact O-N 2.75Å; R10-T14 PolarHBondContact O-OG1 3.36Å
11	L	55.5	Low	56.8	Low	113 Å²	113	130.4 Å²	130.4	59%	0.592	68%	0.676	S	S	*	*	H	α-helix	trans	-66.6	-42.3	-178	-146.6	116.8	0	0	0	111.7	G7 L8 T14 L15	G7-L11 PolarHBondContact O-N 3.19Å; G7-L11 VanDerWaalsContact O-N 3.15Å; L8-L11 PolarHBondContact O-N 2.94Å; L11-T14 PolarHBondContact O-N 2.92Å; L11-L15 HydrophobicContact CD2-CD1 3.93Å; L11-L15 WeakPolarHBondContact O-CG 3.46Å; L11-L15 PolarHBondContact O-N 3.32Å
12	V	63.6	Low	59.2	Low	85 Å²	85	122.8 Å²	122.8	52%	0.515	64%	0.64	S	S	.	*	H	α-helix	trans	-65	-40.3	174.8	176.2	0	0	0	0	111.4	L8 T14 L15 S16	L8-V12 WeakPolarHBondContact O-CG2 3.38Å; L8-V12 PolarHBondContact O-N 3.09Å; V12-T14 VanDerWaalsContact C-N 3.29Å; V12-T14 PolarHBondContact O-N 3.15Å; V12-L15 PolarHBondContact O-N 3.04Å; V12-S16 WeakPolarHBondContact O-CB 3.28Å; V12-S16 PolarHBondContact O-N 2.82Å; V12-S16 PolarHBondContact O-OG 2.83Å
13	H	59.7	Low	61.3	Low	123 Å²	123	119 Å²	119	57%	0.569	62%	0.618	S	S	*	*	H	α-helix	trans	-67.2	-29.3	175.7	-119.2	-53.1	0	0	0	113.7	N9 R10 S16 K17	N9-H13 WeakPolarHBondContact O-CB 3.22Å; N9-H13 PolarHBondContact O-N 3.41Å; R10-H13 PolarHBondContact O-N 3.22Å; H13-S16 PolarHBondContact O-OG 2.95Å; H13-K17 WeakPolarHBondContact O-CG 3.27Å
14	T	61.3	Low	63.3	Low	97 Å²	97	115.1 Å²	115.1	60%	0.595	60%	0.598	S	S	*	*	H	α-helix	trans	-76.9	-39	177.8	-42.1	0	0	0	0	109.9	R10 L11 V12 K17	R10-T14 WeakPolarHBondContact O-CB 3.47Å; R10-T14 PolarHBondContact O-N 2.75Å; R10-T14 PolarHBondContact O-OG1 3.36Å; L11-T14 PolarHBondContact O-N 2.92Å; V12-T14 VanDerWaalsContact C-N 3.29Å; V12-T14 PolarHBondContact O-N 3.15Å; T14-K17 PolarHBondContact O-N 3.35Å
15	L	58.8	Low	65.4	Low	105 Å²	105	111.8 Å²	111.8	55%	0.55	59%	0.589	S	S	.	*	H	α-helix	trans	-69.7	-34.7	175	-71.8	166.5	0	0	0	112.7	L11 V12 K17 L18	L11-L15 HydrophobicContact CD2-CD1 3.93Å; L11-L15 WeakPolarHBondContact O-CG 3.46Å; L11-L15 PolarHBondContact O-N 3.32Å; V12-L15 PolarHBondContact O-N 3.04Å; L15-K17 PolarHBondContact O-N 3.46Å; L15-L18 HydrophobicContact CD2-CD1 3.98Å; L15-L18 PolarHBondContact O-N 3.28Å
16	S	65.1	Low	67.5	Low	84 Å²	84	113.8 Å²	113.8	59%	0.587	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-15.7	177.4	72.8	0	0	0	0	114.1	V12 H13	V12-S16 WeakPolarHBondContact O-CB 3.28Å; V12-S16 PolarHBondContact O-N 2.82Å; V12-S16 PolarHBondContact O-OG 2.83Å; H13-S16 PolarHBondContact O-OG 2.95Å
17	K	64.7	Low	69.3	Low	165 Å²	165	114.3 Å²	114.3	72%	0.717	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-9.1	176	-78.3	-176.7	178	-176.3	0	114.1	H13 T14 L15 R19	H13-K17 WeakPolarHBondContact O-CG 3.27Å; T14-K17 PolarHBondContact O-N 3.35Å; L15-K17 PolarHBondContact O-N 3.46Å; K17-R19 PolarHBondContact O-N 3.14Å; K17-R19 VanDerWaalsContact O-N 3.13Å
18	L	62.7	Low	71.1	Confident	92 Å²	92	116.9 Å²	116.9	48%	0.482	58%	0.582	S	S	.	*	S	Bend	trans	-69.2	109.5	172.1	-79.6	156.6	0	0	0	108.2	L15 L20 V23	L15-L18 HydrophobicContact CD2-CD1 3.98Å; L15-L18 PolarHBondContact O-N 3.28Å; L18-L20 PolarHBondContact O-N 3.07Å; L18-V23 HydrophobicContact CB-CG2 4.25Å
19	R	75.2	Confident	72.9	Confident	188 Å²	188	112.2 Å²	112.2	71%	0.709	57%	0.566	S	S	*	*			trans	-62.7	137.4	173.4	-67.4	-179.1	169.4	-173.5	-2.8	107.2	K17 N21 D22 V23	K17-R19 PolarHBondContact O-N 3.14Å; K17-R19 VanDerWaalsContact O-N 3.13Å; R19-N21 PolarHBondContact O-N 2.95Å; R19-D22 WeakPolarHBondContact CB-OD2 3.23Å; R19-D22 PolarHBondContact N-OD2 3.02Å; R19-D22 WeakPolarHBondContact O-CB 3.32Å; R19-D22 PolarHBondContact O-N 3.18Å; R19-V23 PolarHBondContact O-N 3.12Å
20	L	77.3	Confident	74.7	Confident	123 Å²	123	110.6 Å²	110.6	64%	0.644	56%	0.557	S	S	*	*	H	α-helix	trans	-51.6	-30.7	177.3	-171.4	69.9	0	0	0	112.2	L18 K24	L18-L20 PolarHBondContact O-N 3.07Å; L20-K24 WeakPolarHBondContact O-CG 3.41Å; L20-K24 PolarHBondContact O-N 3.1Å; L20-K24 VanDerWaalsContact O-N 3.13Å
21	N	80.2	Confident	76.5	Confident	101 Å²	101	102.8 Å²	102.8	54%	0.54	54%	0.539	S	S	.	.	H	α-helix	trans	-67.1	-35.3	175.7	-68.5	-6.3	0	0	0	113.1	R19 K24 L25	R19-N21 PolarHBondContact O-N 2.95Å; N21-K24 PolarHBondContact O-N 3.11Å; N21-L25 WeakPolarHBondContact O-CD1 3.38Å; N21-L25 PolarHBondContact O-N 3.39Å
22	D	81.7	Confident	78.3	Confident	82 Å²	82	103.8 Å²	103.8	44%	0.439	54%	0.539	S	S	.	.	H	α-helix	trans	-69.4	-39.4	179.9	-56.7	-24.8	0	0	0	110.6	R19 L25 F26	R19-D22 WeakPolarHBondContact CB-OD2 3.23Å; R19-D22 PolarHBondContact N-OD2 3.02Å; R19-D22 WeakPolarHBondContact O-CB 3.32Å; R19-D22 PolarHBondContact O-N 3.18Å; D22-L25 PolarHBondContact O-N 2.91Å; D22-F26 PolarHBondContact O-N 3.45Å
23	V	82.2	Confident	79.6	Confident	62 Å²	62	104.3 Å²	104.3	38%	0.376	54%	0.543	S	S	.	.	H	α-helix	trans	-65	-41.5	174.2	-178.2	0	0	0	0	110.9	L18 R19 F26 L27	L18-V23 HydrophobicContact CB-CG2 4.25Å; R19-V23 PolarHBondContact O-N 3.12Å; V23-F26 PolarHBondContact O-N 3.02Å; V23-L27 HydrophobicContact CG1-CD1 4.22Å; V23-L27 WeakPolarHBondContact O-CG 3.33Å; V23-L27 PolarHBondContact O-N 2.8Å
24	K	84.1	Confident	81	Confident	111 Å²	111	105 Å²	105	48%	0.483	54%	0.544	S	S	.	.	H	α-helix	trans	-61	-46.4	174.9	-74.5	174.6	179.5	-179.7	0	111.7	L20 N21 F26 L27 I28	L20-K24 WeakPolarHBondContact O-CG 3.41Å; L20-K24 PolarHBondContact O-N 3.1Å; L20-K24 VanDerWaalsContact O-N 3.13Å; N21-K24 PolarHBondContact O-N 3.11Å; K24-F26 VanDerWaalsContact C-N 3.33Å; K24-F26 PolarHBondContact O-N 3.11Å; K24-L27 PolarHBondContact O-N 2.87Å; K24-I28 WeakPolarHBondContact O-CD1 3.3Å; K24-I28 WeakPolarHBondContact O-CG1 3.31Å; K24-I28 PolarHBondContact O-N 2.95Å
25	L	87	Confident	82.4	Confident	125 Å²	125	105.2 Å²	105.2	65%	0.654	54%	0.541	S	S	*	.	H	α-helix	trans	-60.5	-41.9	177.2	-100.7	118.2	0	0	0	112.1	N21 D22 I28 G29	N21-L25 WeakPolarHBondContact O-CD1 3.38Å; N21-L25 PolarHBondContact O-N 3.39Å; D22-L25 PolarHBondContact O-N 2.91Å; L25-I28 PolarHBondContact O-N 3.26Å; L25-G29 PolarHBondContact O-N 3.33Å
26	F	89.3	Confident	83.8	Confident	141 Å²	141	105.1 Å²	105.1	62%	0.618	54%	0.541	S	S	*	.	H	α-helix	trans	-62.8	-45.2	177.2	-176.5	-97.7	0	0	0	112.1	D22 V23 K24 G29 L30	D22-F26 PolarHBondContact O-N 3.45Å; V23-F26 PolarHBondContact O-N 3.02Å; K24-F26 VanDerWaalsContact C-N 3.33Å; K24-F26 PolarHBondContact O-N 3.11Å; F26-G29 PolarHBondContact O-N 3.2Å; F26-L30 HydrophobicContact CE1-CD1 4.03Å; F26-L30 HydrophobicContact CZ-CD1 4.04Å; F26-L30 WeakPolarHBondContact O-CB 3.39Å; F26-L30 PolarHBondContact O-N 3Å
27	L	91	Very high	84.6	Confident	105 Å²	105	105.9 Å²	105.9	55%	0.55	54%	0.538	S	S	.	.	H	α-helix	trans	-66.2	-37.9	178	-68.8	174.4	0	0	0	112.5	V23 K24 L30 G31	V23-L27 HydrophobicContact CG1-CD1 4.22Å; V23-L27 WeakPolarHBondContact O-CG 3.33Å; V23-L27 PolarHBondContact O-N 2.8Å; K24-L27 PolarHBondContact O-N 2.87Å; L27-L30 PolarHBondContact O-N 3.4Å; L27-G31 PolarHBondContact O-N 2.97Å
28	I	92	Very high	85.5	Confident	104 Å²	104	106.5 Å²	106.5	53%	0.533	54%	0.536	S	S	.	.	H	α-helix	trans	-62.3	-45.2	173.4	-68.2	163.3	0	0	0	110.3	K24 L25 G31 F32	K24-I28 WeakPolarHBondContact O-CD1 3.3Å; K24-I28 WeakPolarHBondContact O-CG1 3.31Å; K24-I28 PolarHBondContact O-N 2.95Å; L25-I28 PolarHBondContact O-N 3.26Å; I28-G31 PolarHBondContact O-N 3.39Å; I28-F32 HydrophobicContact CG2-CD2 4.14Å; I28-F32 HydrophobicContact CG2-CE2 4.44Å; I28-F32 PolarHBondContact O-N 3.46Å
29	G	90.3	Very high	86.3	Confident	36 Å²	36	106.7 Å²	106.7	37%	0.371	54%	0.536	S	S	.	.	H	α-helix	trans	-61.3	-44.5	176.6	0	0	0	0	0	112.6	L25 F26 G31 F32 V33	L25-G29 PolarHBondContact O-N 3.33Å; F26-G29 PolarHBondContact O-N 3.2Å; G29-G31 VanDerWaalsContact C-N 3.33Å; G29-G31 PolarHBondContact O-N 2.88Å; G29-F32 PolarHBondContact O-N 3.02Å; G29-V33 WeakPolarHBondContact O-CG2 3.39Å; G29-V33 PolarHBondContact O-N 3.42Å; G29-V33 VanDerWaalsContact O-N 3.09Å
30	L	92.8	Very high	86.3	Confident	78 Å²	78	101.7 Å²	101.7	41%	0.408	53%	0.527	S	S	.	.	H	α-helix	trans	-60.5	-44.3	176	-151.3	97.7	0	0	0	111.1	F26 L27 F32 V33 F34	F26-L30 HydrophobicContact CE1-CD1 4.03Å; F26-L30 HydrophobicContact CZ-CD1 4.04Å; F26-L30 WeakPolarHBondContact O-CB 3.39Å; F26-L30 PolarHBondContact O-N 3Å; L27-L30 PolarHBondContact O-N 3.4Å; L30-F32 PolarHBondContact O-N 2.89Å; L30-V33 PolarHBondContact O-N 3.32Å; L30-F34 HydrophobicContact CD2-CD2 4.24Å; L30-F34 HydrophobicContact CD2-CE2 3.66Å; L30-F34 HydrophobicContact CG-CD2 4.21Å; L30-F34 HydrophobicContact CG-CE2 3.83Å; L30-F34 WeakPolarHBondContact O-CD2 3.37Å; L30-F34 PolarHBondContact O-N 3.45Å; L30-F34 VanDerWaalsContact O-N 3.07Å
31	G	92.4	Very high	85.9	Confident	38 Å²	38	99.7 Å²	99.7	39%	0.392	52%	0.52	S	S	.	.	H	α-helix	trans	-60	-43.1	175.5	0	0	0	0	0	113	L27 I28 G29 V33 F34 L35	L27-G31 PolarHBondContact O-N 2.97Å; I28-G31 PolarHBondContact O-N 3.39Å; G29-G31 VanDerWaalsContact C-N 3.33Å; G29-G31 PolarHBondContact O-N 2.88Å; G31-V33 PolarHBondContact O-N 2.93Å; G31-F34 PolarHBondContact O-N 3.45Å; G31-L35 WeakPolarHBondContact O-CB 3.5Å; G31-L35 PolarHBondContact O-N 3.44Å
32	F	93	Very high	85.2	Confident	134 Å²	134	100.8 Å²	100.8	59%	0.588	53%	0.525	S	S	*	.	H	α-helix	trans	-60.8	-41.7	175.5	-106.2	-85.4	0	0	0	112.5	I28 G29 L30 L35 L36	I28-F32 HydrophobicContact CG2-CD2 4.14Å; I28-F32 HydrophobicContact CG2-CE2 4.44Å; I28-F32 PolarHBondContact O-N 3.46Å; G29-F32 PolarHBondContact O-N 3.02Å; L30-F32 PolarHBondContact O-N 2.89Å; F32-L35 PolarHBondContact O-N 3.01Å; F32-L36 WeakPolarHBondContact O-CB 3.46Å; F32-L36 VanDerWaalsContact O-CG 3.29Å; F32-L36 WeakPolarHBondContact O-CG 3.38Å; F32-L36 PolarHBondContact O-N 2.81Å
33	V	90.3	Very high	83.8	Confident	97 Å²	97	100.9 Å²	100.9	59%	0.588	53%	0.532	S	S	*	.	H	α-helix	trans	-64.1	-44.6	177.3	173.9	0	0	0	0	111	G29 L30 G31 N37	G29-V33 WeakPolarHBondContact O-CG2 3.39Å; G29-V33 PolarHBondContact O-N 3.42Å; G29-V33 VanDerWaalsContact O-N 3.09Å; L30-V33 PolarHBondContact O-N 3.32Å; G31-V33 PolarHBondContact O-N 2.93Å; V33-N37 WeakPolarHBondContact O-CB 3.38Å; V33-N37 PolarHBondContact O-N 3.16Å
34	F	90.3	Very high	81.7	Confident	136 Å²	136	107.4 Å²	107.4	60%	0.596	55%	0.55	S	S	*	*	H	α-helix	trans	-65.1	-39.8	176.1	-78.1	-66.7	0	0	0	112.5	L30 G31 N37 W38	L30-F34 HydrophobicContact CD2-CD2 4.24Å; L30-F34 HydrophobicContact CD2-CE2 3.66Å; L30-F34 HydrophobicContact CG-CD2 4.21Å; L30-F34 HydrophobicContact CG-CE2 3.83Å; L30-F34 WeakPolarHBondContact O-CD2 3.37Å; L30-F34 PolarHBondContact O-N 3.45Å; L30-F34 VanDerWaalsContact O-N 3.07Å; G31-F34 PolarHBondContact O-N 3.45Å; F34-N37 PolarHBondContact O-N 3.37Å; F34-W38 WeakPolarHBondContact O-CB 3.2Å; F34-W38 PolarHBondContact O-N 3.39Å
35	L	89.1	Confident	79.5	Confident	103 Å²	103	107.1 Å²	107.1	54%	0.539	56%	0.558	S	S	.	*	H	α-helix	trans	-65.6	-44.6	178.4	-155.3	102.7	0	0	0	111.6	G31 F32 W38 I39	G31-L35 WeakPolarHBondContact O-CB 3.5Å; G31-L35 PolarHBondContact O-N 3.44Å; F32-L35 PolarHBondContact O-N 3.01Å; L35-W38 PolarHBondContact O-N 3.14Å; L35-I39 HydrophobicContact CD2-CD1 3.93Å; L35-I39 HydrophobicContact CG-CD1 4.29Å; L35-I39 VanDerWaalsContact O-CG1 3.28Å; L35-I39 WeakPolarHBondContact O-CG1 3.35Å; L35-I39 PolarHBondContact O-N 3.48Å
36	L	88	Confident	77.1	Confident	103 Å²	103	105.3 Å²	105.3	54%	0.539	55%	0.553	S	S	.	*	H	α-helix	trans	-62	-44.2	175.6	-74.7	170.3	0	0	0	111.3	F32 W38 I39 V40	F32-L36 WeakPolarHBondContact O-CB 3.46Å; F32-L36 VanDerWaalsContact O-CG 3.29Å; F32-L36 WeakPolarHBondContact O-CG 3.38Å; F32-L36 PolarHBondContact O-N 2.81Å; L36-W38 VanDerWaalsContact C-N 3.32Å; L36-W38 PolarHBondContact O-N 3.32Å; L36-I39 PolarHBondContact O-N 3.02Å; L36-V40 VanDerWaalsContact O-CG2 3.27Å; L36-V40 WeakPolarHBondContact O-CG2 3.4Å; L36-V40 PolarHBondContact O-N 3.37Å
37	N	82.6	Confident	74.4	Confident	100 Å²	100	108.3 Å²	108.3	54%	0.535	57%	0.566	S	S	.	*	H	α-helix	trans	-64.4	-39.8	177.7	-153.5	11.8	0	0	0	111.2	V33 F34 V40 T41	V33-N37 WeakPolarHBondContact O-CB 3.38Å; V33-N37 PolarHBondContact O-N 3.16Å; F34-N37 PolarHBondContact O-N 3.37Å; N37-V40 PolarHBondContact O-N 2.85Å; N37-T41 VanDerWaalsContact O-CG2 3.31Å; N37-T41 WeakPolarHBondContact O-CG2 3.5Å; N37-T41 PolarHBondContact O-N 2.88Å; N37-T41 PolarHBondContact O-OG1 3.14Å
38	W	83	Confident	71.7	Confident	177 Å²	177	111.3 Å²	111.3	67%	0.67	58%	0.575	S	S	*	*	H	α-helix	trans	-64.5	-45.6	175.5	-162.8	-3.1	0	0	0	112	F34 L35 L36 V40 T41 L42	F34-W38 WeakPolarHBondContact O-CB 3.2Å; F34-W38 PolarHBondContact O-N 3.39Å; L35-W38 PolarHBondContact O-N 3.14Å; L36-W38 VanDerWaalsContact C-N 3.32Å; L36-W38 PolarHBondContact O-N 3.32Å; W38-V40 VanDerWaalsContact C-N 3.32Å; W38-V40 PolarHBondContact O-N 3.01Å; W38-T41 WeakPolarHBondContact CA-OG1 3.33Å; W38-T41 PolarHBondContact O-N 3.13Å; W38-T41 VanDerWaalsContact O-N 3.14Å; W38-T41 PolarHBondContact O-OG1 3.2Å; W38-L42 WeakPolarHBondContact O-CB 3.32Å; W38-L42 PolarHBondContact O-N 3.49Å
39	I	80.5	Confident	68.6	Low	96 Å²	96	115.6 Å²	115.6	49%	0.492	59%	0.59	S	S	.	*	H	α-helix	trans	-60.6	-41	176.6	-68.8	164.7	0	0	0	111.4	L35 L36 L42 S43	L35-I39 HydrophobicContact CD2-CD1 3.93Å; L35-I39 HydrophobicContact CG-CD1 4.29Å; L35-I39 VanDerWaalsContact O-CG1 3.28Å; L35-I39 WeakPolarHBondContact O-CG1 3.35Å; L35-I39 PolarHBondContact O-N 3.48Å; L36-I39 PolarHBondContact O-N 3.02Å; I39-L42 PolarHBondContact O-N 3.3Å; I39-S43 WeakPolarHBondContact O-CB 3.39Å; I39-S43 PolarHBondContact O-N 2.99Å; I39-S43 PolarHBondContact O-OG 3.32Å
40	V	75.7	Confident	65.7	Low	83 Å²	83	119.2 Å²	119.2	50%	0.503	61%	0.608	S	S	.	*	H	α-helix	trans	-63.1	-43.1	175.4	172.3	0	0	0	0	110.7	L36 N37 W38 L42 S43 W44	L36-V40 VanDerWaalsContact O-CG2 3.27Å; L36-V40 WeakPolarHBondContact O-CG2 3.4Å; L36-V40 PolarHBondContact O-N 3.37Å; N37-V40 PolarHBondContact O-N 2.85Å; W38-V40 VanDerWaalsContact C-N 3.32Å; W38-V40 PolarHBondContact O-N 3.01Å; V40-L42 PolarHBondContact O-N 3.04Å; V40-S43 PolarHBondContact O-OG 3.25Å; V40-W44 WeakPolarHBondContact O-CB 3.41Å; V40-W44 PolarHBondContact O-N 3.06Å
41	T	68.4	Low	62.7	Low	81 Å²	81	124.2 Å²	124.2	50%	0.497	63%	0.634	S	S	.	*	H	α-helix	trans	-69.2	-30.5	177	60.1	0	0	0	0	113.7	N37 W38	N37-T41 VanDerWaalsContact O-CG2 3.31Å; N37-T41 WeakPolarHBondContact O-CG2 3.5Å; N37-T41 PolarHBondContact O-N 2.88Å; N37-T41 PolarHBondContact O-OG1 3.14Å; W38-T41 WeakPolarHBondContact CA-OG1 3.33Å; W38-T41 PolarHBondContact O-N 3.13Å; W38-T41 VanDerWaalsContact O-N 3.14Å; W38-T41 PolarHBondContact O-OG1 3.2Å
42	L	65.6	Low	59.7	Low	124 Å²	124	127 Å²	127	65%	0.649	65%	0.647	S	S	*	*	H	α-helix	trans	-81	-36.4	-178.5	-156.4	74.5	0	0	0	112.2	W38 I39 V40 W44	W38-L42 WeakPolarHBondContact O-CB 3.32Å; W38-L42 PolarHBondContact O-N 3.49Å; I39-L42 PolarHBondContact O-N 3.3Å; V40-L42 PolarHBondContact O-N 3.04Å; L42-W44 VanDerWaalsContact C-N 3.31Å
43	S	52.6	Low	56.7	Low	84 Å²	84	128.5 Å²	128.5	59%	0.587	66%	0.662	S	S	*	*	H	α-helix	trans	-75.3	-18.2	176.5	56.4	0	0	0	0	113.4	I39 V40	I39-S43 WeakPolarHBondContact O-CB 3.39Å; I39-S43 PolarHBondContact O-N 2.99Å; I39-S43 PolarHBondContact O-OG 3.32Å; V40-S43 PolarHBondContact O-OG 3.25Å
44	W	38	Very low	54.1	Low	200 Å²	200	127.5 Å²	127.5	76%	0.758	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	53.6	176.5	-79.4	76.3	0	0	0	112.6	V40 L42 P46	V40-W44 WeakPolarHBondContact O-CB 3.41Å; V40-W44 PolarHBondContact O-N 3.06Å; L42-W44 VanDerWaalsContact C-N 3.31Å; W44-P46 VanDerWaalsContact O-CD 3.23Å; W44-P46 WeakPolarHBondContact O-CD 3.11Å
45	T	36.8	Very low	51.4	Low	105 Å²	105	126.3 Å²	126.3	64%	0.644	68%	0.68	S	S	*	*			trans	-99	92.1	152.5	52.4	0	0	0	0	107.8	K47	T45-K47 PolarHBondContact O-N 2.66Å
46	P	38.2	Very low	48.7	Very low	86 Å²	86	130 Å²	130	56%	0.558	70%	0.699	S	S	*	*			trans	-62.2	110.5	175.5	24.6	-30.6	0	0	0	107.7	W44 F48	W44-P46 VanDerWaalsContact O-CD 3.23Å; W44-P46 WeakPolarHBondContact O-CD 3.11Å; P46-F48 HydrophobicContact CB-CD2 4.16Å; P46-F48 HydrophobicContact CB-CE2 4.14Å; P46-F48 HydrophobicContact CG-CD2 4.16Å; P46-F48 HydrophobicContact CG-CE2 3.98Å; P46-F48 PolarHBondContact O-N 2.97Å
47	K	32.2	Very low	46.2	Very low	205 Å²	205	133 Å²	133	89%	0.891	71%	0.714	S	S	*	*			trans	-62.3	87.7	163.4	-79.2	-176.9	177.8	176.8	0	107.1	T45 K49	T45-K47 PolarHBondContact O-N 2.66Å; K47-K49 VanDerWaalsContact C-N 3.26Å; K47-K49 PolarHBondContact O-N 3.13Å
48	F	33.2	Very low	43.9	Very low	167 Å²	167	137.4 Å²	137.4	73%	0.732	73%	0.732	S	S	*	*			trans	-64.2	93.3	164.5	-89.2	-85.5	0	0	0	107.4	P46 C50	P46-F48 HydrophobicContact CB-CD2 4.16Å; P46-F48 HydrophobicContact CB-CE2 4.14Å; P46-F48 HydrophobicContact CG-CD2 4.16Å; P46-F48 HydrophobicContact CG-CE2 3.98Å; P46-F48 PolarHBondContact O-N 2.97Å; F48-C50 PolarHBondContact O-N 3.28Å
49	K	27.7	Very low	41.8	Very low	195 Å²	195	133.5 Å²	133.5	85%	0.848	73%	0.732	S	S	*	*			trans	-73.8	104.9	166.7	-158.6	173.2	-174.3	-178.8	0	106	K47 L51	K47-K49 VanDerWaalsContact C-N 3.26Å; K47-K49 PolarHBondContact O-N 3.13Å; K49-L51 PolarHBondContact O-N 3.02Å
50	C	29.3	Very low	40.1	Very low	111 Å²	111	135.8 Å²	135.8	75%	0.75	75%	0.751	S	S	*	*			trans	-55.1	114.5	167.6	-64	0	0	0	0	107.4	F48 S52	F48-C50 PolarHBondContact O-N 3.28Å; C50-S52 VanDerWaalsContact C-N 3.27Å; C50-S52 PolarHBondContact O-N 2.71Å
51	L	29.4	Very low	38.1	Very low	184 Å²	184	137.9 Å²	137.9	96%	0.963	75%	0.753	S	S	*	*			trans	-66.5	94.6	163.8	-89.6	147.9	0	0	0	106.5	K49	K49-L51 PolarHBondContact O-N 3.02Å
52	S	29.9	Very low	36.7	Very low	95 Å²	95	142.7 Å²	142.7	66%	0.664	77%	0.77	S	S	*	*			trans	-90.8	140.6	165.6	68.9	0	0	0	0	109.9	C50	C50-S52 VanDerWaalsContact C-N 3.27Å; C50-S52 PolarHBondContact O-N 2.71Å
53	D	29.8	Very low	35.2	Very low	166 Å²	166	144.8 Å²	144.8	89%	0.888	77%	0.77	S	S	*	*			trans	63.7	91.3	158.1	-62.8	-12.7	0	0	0	118.6
54	G	36.6	Very low	34.6	Very low	76 Å²	76	143.9 Å²	143.9	78%	0.784	76%	0.763	S	S	*	*			trans	-133.3	119.3	149	0	0	0	0	0	108.3
55	S	33.8	Very low	35	Very low	111 Å²	111	143 Å²	143	78%	0.776	77%	0.77	S	S	*	*			trans	-44.1	141.5	-173.2	39.6	0	0	0	0	116.8	L57	S55-L57 PolarHBondContact O-N 3.31Å
56	L	31.8	Very low	35.8	Very low	182 Å²	182	144.8 Å²	144.8	95%	0.953	77%	0.769	S	S	*	*			trans	-59.3	99.4	163.8	-89.1	143.6	0	0	0	110.2
57	L	35.1	Very low	36.6	Very low	164 Å²	164	146.3 Å²	146.3	86%	0.859	78%	0.782	S	S	*	*			trans	-112	121.5	155	-82.9	170.5	0	0	0	109.9	S55 S59	S55-L57 PolarHBondContact O-N 3.31Å; L57-S59 PolarHBondContact O-N 3.08Å
58	Q	33.7	Very low	38.1	Very low	193 Å²	193	139.7 Å²	139.7	90%	0.902	76%	0.756	S	S	*	*			trans	-70.9	112	-174.3	-160.3	170.9	11	0	0	109.7
59	S	39.8	Very low	40.1	Very low	96 Å²	96	135.6 Å²	135.6	67%	0.671	75%	0.745	S	S	*	*			trans	-148.2	118.7	161.9	-179.6	0	0	0	0	109.8	L57 K61	L57-S59 PolarHBondContact O-N 3.08Å; S59-K61 PolarHBondContact O-N 3.13Å; S59-K61 VanDerWaalsContact O-N 3.09Å
60	T	43.7	Very low	42.7	Very low	144 Å²	144	130.4 Å²	130.4	88%	0.883	73%	0.726	S	S	*	*	S	Bend	trans	-78.1	24	-175.2	38.3	0	0	0	0	114.4
61	K	34.9	Very low	45.4	Very low	127 Å²	127	128.4 Å²	128.4	55%	0.552	71%	0.711	S	S	*	*			trans	-132.3	99.6	167.5	-76.6	-176.1	178.5	178.8	0	109.9	S59 Y63 L68	S59-K61 PolarHBondContact O-N 3.13Å; S59-K61 VanDerWaalsContact O-N 3.09Å; K61-Y63 HydrophobicContact CB-CD2 4.17Å; K61-Y63 HydrophobicContact CB-CE2 3.69Å; K61-Y63 HydrophobicContact CD-CE2 4.48Å; K61-Y63 VanDerWaalsContact O-CD2 3.25Å; K61-Y63 WeakPolarHBondContact O-CD2 3.45Å; K61-Y63 PolarHBondContact O-N 3.13Å; K61-L68 HydrophobicContact CD-CD1 4.31Å
62	Q	38.1	Very low	48.3	Very low	181 Å²	181	122.4 Å²	122.4	85%	0.846	68%	0.684	S	S	*	*			trans	-76.5	88.2	174.7	-167.8	165.3	1.9	0	0	109	S64 L68	Q62-S64 PolarHBondContact O-N 2.73Å; Q62-L68 VanDerWaalsContact C-CD2 3.46Å; Q62-L68 WeakPolarHBondContact O-CD2 3.32Å
63	Y	33.6	Very low	51.1	Low	169 Å²	169	120.4 Å²	120.4	66%	0.663	66%	0.662	S	S	*	*			trans	-65.1	103.6	176.1	-70.6	-87	0	0	0	110.4	K61 L68	K61-Y63 HydrophobicContact CB-CD2 4.17Å; K61-Y63 HydrophobicContact CB-CE2 3.69Å; K61-Y63 HydrophobicContact CD-CE2 4.48Å; K61-Y63 VanDerWaalsContact O-CD2 3.25Å; K61-Y63 WeakPolarHBondContact O-CD2 3.45Å; K61-Y63 PolarHBondContact O-N 3.13Å; Y63-L68 HydrophobicContact CD1-CD1 3.9Å; Y63-L68 HydrophobicContact CD1-CD2 4.09Å; Y63-L68 HydrophobicContact CD1-CG 4.03Å; Y63-L68 HydrophobicContact CE1-CD1 3.64Å; Y63-L68 HydrophobicContact CE1-CG 4.28Å; Y63-L68 HydrophobicContact CG-CD2 4.24Å
64	S	40	Very low	54.1	Low	64 Å²	64	113.9 Å²	113.9	45%	0.448	63%	0.631	S	S	.	*			trans	-80.6	147.3	159.4	135.7	0	0	0	0	108.5	Q62 F66	Q62-S64 PolarHBondContact O-N 2.73Å; S64-F66 CarbonylContact C-O 3.59Å; S64-F66 CarbonylContact O-C 3.58Å; S64-F66 PolarHBondContact O-N 2.95Å; S64-F66 VanDerWaalsContact O-O 3.07Å; S64-F66 PolarHBondContact OG-N 3.06Å; S64-F66 VanDerWaalsContact OG-N 3.09Å; S64-F66 PolarHBondContact OG-O 2.03Å
65	M	47	Very low	56.8	Low	183 Å²	183	115.3 Å²	115.3	90%	0.901	62%	0.617	S	S	*	*	S	Bend	trans	-53.6	-23.7	174.5	-173	-179.9	-76.8	0	0	112.9
66	F	53.9	Low	59.7	Low	141 Å²	141	113.7 Å²	113.7	62%	0.618	60%	0.6	S	S	*	*	S	Bend	trans	-97.6	127.8	169.4	-50.3	-80.1	0	0	0	108.7	S64 L68	S64-F66 CarbonylContact C-O 3.59Å; S64-F66 CarbonylContact O-C 3.58Å; S64-F66 PolarHBondContact O-N 2.95Å; S64-F66 VanDerWaalsContact O-O 3.07Å; S64-F66 PolarHBondContact OG-N 3.06Å; S64-F66 VanDerWaalsContact OG-N 3.09Å; S64-F66 PolarHBondContact OG-O 2.03Å; F66-L68 PolarHBondContact O-N 2.92Å
67	S	54.2	Low	62.8	Low	118 Å²	118	105.1 Å²	105.1	83%	0.825	56%	0.555	S	S	*	*	S	Bend	trans	-12.4	113.6	169.8	171	0	0	0	0	112.8	T69	S67-T69 PolarHBondContact O-N 3.28Å
68	L	65	Low	65.7	Low	67 Å²	67	98.6 Å²	98.6	35%	0.351	53%	0.525	S	S	.	.			trans	-34.8	110.1	-179.3	-72	168.1	0	0	0	111	K61 Q62 Y63 F66 D70	K61-L68 HydrophobicContact CD-CD1 4.31Å; Q62-L68 VanDerWaalsContact C-CD2 3.46Å; Q62-L68 WeakPolarHBondContact O-CD2 3.32Å; Y63-L68 HydrophobicContact CD1-CD1 3.9Å; Y63-L68 HydrophobicContact CD1-CD2 4.09Å; Y63-L68 HydrophobicContact CD1-CG 4.03Å; Y63-L68 HydrophobicContact CE1-CD1 3.64Å; Y63-L68 HydrophobicContact CE1-CG 4.28Å; Y63-L68 HydrophobicContact CG-CD2 4.24Å; F66-L68 PolarHBondContact O-N 2.92Å; L68-D70 PolarHBondContact O-N 3.32Å; L68-D70 VanDerWaalsContact O-N 3.13Å
69	T	75	Confident	68.7	Low	81 Å²	81	95.5 Å²	95.5	50%	0.497	52%	0.515	S	S	.	.			trans	-59	120.6	165.5	-61	0	0	0	0	106.6	S67 V71	S67-T69 PolarHBondContact O-N 3.28Å; T69-V71 HydrophobicContact CG2-CG1 4.13Å; T69-V71 PolarHBondContact O-N 2.86Å
70	D	81.6	Confident	71.4	Confident	86 Å²	86	97 Å²	97	46%	0.46	51%	0.509	S	S	.	.			trans	-69.2	106.1	175	-176	0.2	0	0	0	109.1	L68 S72	L68-D70 PolarHBondContact O-N 3.32Å; L68-D70 VanDerWaalsContact O-N 3.13Å; D70-S72 WeakPolarHBondContact OD1-CB 3.41Å; D70-S72 PolarHBondContact OD1-N 2.94Å; D70-S72 PolarHBondContact OD1-OG 2.93Å; D70-S72 PolarHBondContact OD2-OG 2.68Å
71	V	86.7	Confident	74	Confident	69 Å²	69	90.4 Å²	90.4	42%	0.418	47%	0.468	S	S	.	.			trans	-101.8	7.2	178.8	-66.9	0	0	0	0	112.2	T69 Y73 A74 Q75	T69-V71 HydrophobicContact CG2-CG1 4.13Å; T69-V71 PolarHBondContact O-N 2.86Å; V71-Y73 PolarHBondContact O-N 3.15Å; V71-A74 PolarHBondContact O-N 2.63Å; V71-Q75 HydrophobicContact CG2-CG 4.27Å; V71-Q75 WeakPolarHBondContact O-CB 3.48Å; V71-Q75 WeakPolarHBondContact O-CG 3.28Å; V71-Q75 PolarHBondContact O-N 2.9Å
72	S	89.8	Confident	77	Confident	57 Å²	57	87 Å²	87	40%	0.399	46%	0.456	S	S	.	.	H	α-helix	trans	-59.7	-43.2	-173.4	61.9	0	0	0	0	112.7	D70 Q75 N76	D70-S72 WeakPolarHBondContact OD1-CB 3.41Å; D70-S72 PolarHBondContact OD1-N 2.94Å; D70-S72 PolarHBondContact OD1-OG 2.93Å; D70-S72 PolarHBondContact OD2-OG 2.68Å; S72-Q75 PolarHBondContact O-N 2.86Å; S72-N76 WeakPolarHBondContact O-CB 3.25Å; S72-N76 PolarHBondContact O-N 3.13Å
73	Y	89.7	Confident	79.8	Confident	54 Å²	54	78.4 Å²	78.4	21%	0.212	42%	0.416	C	S	.	.	H	α-helix	trans	-62.5	-47	176.5	177.8	-112.9	0	0	0	111.6	V71 Q75 N76 L77 N175 E178 H343	V71-Y73 PolarHBondContact O-N 3.15Å; Y73-Q75 VanDerWaalsContact C-N 3.34Å; Y73-Q75 PolarHBondContact O-N 2.89Å; Y73-N76 PolarHBondContact O-N 3.37Å; Y73-L77 HydrophobicContact CD1-CD1 4.22Å; Y73-L77 HydrophobicContact CE1-CD1 3.6Å; Y73-L77 HydrophobicContact CE1-CG 4.33Å; Y73-L77 HydrophobicContact CE2-CD1 4.18Å; Y73-L77 HydrophobicContact CE2-CD2 4.3Å; Y73-L77 HydrophobicContact CE2-CG 4.11Å; Y73-L77 WeakPolarHBondContact O-CG 3.35Å; Y73-L77 PolarHBondContact O-N 2.87Å; Y73-N175 PolarHBondContact OH-ND2 3.42Å; Y73-E178 PolarHBondContact OH-OE2 3.19Å; Y73-H343 AromaticContact CE2-CD2 3.89Å
74	A	92.7	Very high	82.9	Confident	28 Å²	28	70.8 Å²	70.8	23%	0.231	39%	0.386	C	S	.	.	H	α-helix	trans	-62.4	-40.1	177.4	0	0	0	0	0	112.3	V71 L77 A78 E171	V71-A74 PolarHBondContact O-N 2.63Å; A74-L77 PolarHBondContact O-N 3.14Å; A74-A78 WeakPolarHBondContact O-CB 3.11Å; A74-A78 PolarHBondContact O-N 3.47Å; A74-E171 HydrophobicContact CB-CG 3.91Å
75	Q	92.8	Very high	85.7	Confident	106 Å²	106	67.7 Å²	67.7	50%	0.495	37%	0.365	S	S	.	.	H	α-helix	trans	-66	-43.8	175.5	-74.2	174.8	-15.7	0	0	112	V71 S72 Y73 L77 A78 N79	V71-Q75 HydrophobicContact CG2-CG 4.27Å; V71-Q75 WeakPolarHBondContact O-CB 3.48Å; V71-Q75 WeakPolarHBondContact O-CG 3.28Å; V71-Q75 PolarHBondContact O-N 2.9Å; S72-Q75 PolarHBondContact O-N 2.86Å; Y73-Q75 VanDerWaalsContact C-N 3.34Å; Y73-Q75 PolarHBondContact O-N 2.89Å; Q75-L77 VanDerWaalsContact C-N 3.34Å; Q75-L77 PolarHBondContact O-N 2.9Å; Q75-A78 PolarHBondContact O-N 3.49Å; Q75-A78 VanDerWaalsContact O-N 3.14Å; Q75-N79 VanDerWaalsContact O-CG 3.27Å; Q75-N79 PolarHBondContact O-N 2.96Å; Q75-N79 PolarHBondContact O-ND2 3.2Å
76	N	95.4	Very high	88.2	Confident	77 Å²	77	59 Å²	59	41%	0.412	32%	0.322	S	S	.	.	H	α-helix	trans	-58.6	-47.4	175.6	-179.1	48.4	0	0	0	111.1	S72 Y73 A78 N79 K80	S72-N76 WeakPolarHBondContact O-CB 3.25Å; S72-N76 PolarHBondContact O-N 3.13Å; Y73-N76 PolarHBondContact O-N 3.37Å; N76-A78 VanDerWaalsContact C-N 3.33Å; N76-A78 PolarHBondContact O-N 2.85Å; N76-N79 PolarHBondContact O-N 3.3Å; N76-K80 WeakPolarHBondContact O-CB 3.46Å; N76-K80 PolarHBondContact O-N 3.37Å
77	L	96.3	Very high	90.3	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-60.4	-41.9	173.8	-72.9	-174.5	0	0	0	112.1	Y73 A74 Q75 N79 K80 I81 R174 N175 E178	Y73-L77 HydrophobicContact CD1-CD1 4.22Å; Y73-L77 HydrophobicContact CE1-CD1 3.6Å; Y73-L77 HydrophobicContact CE1-CG 4.33Å; Y73-L77 HydrophobicContact CE2-CD1 4.18Å; Y73-L77 HydrophobicContact CE2-CD2 4.3Å; Y73-L77 HydrophobicContact CE2-CG 4.11Å; Y73-L77 WeakPolarHBondContact O-CG 3.35Å; Y73-L77 PolarHBondContact O-N 2.87Å; A74-L77 PolarHBondContact O-N 3.14Å; Q75-L77 VanDerWaalsContact C-N 3.34Å; Q75-L77 PolarHBondContact O-N 2.9Å; L77-N79 VanDerWaalsContact C-N 3.33Å; L77-N79 PolarHBondContact O-N 3.42Å; L77-K80 PolarHBondContact O-N 3.43Å; L77-I81 HydrophobicContact CD2-CD1 4.02Å; L77-I81 VanDerWaalsContact O-CB 3.32Å; L77-I81 WeakPolarHBondContact O-CB 3.43Å; L77-I81 PolarHBondContact O-N 3.44Å; L77-R174 HydrophobicContact CB-CB 3.94Å; L77-R174 HydrophobicContact CD1-CB 4.12Å; L77-N175 HydrophobicContact CD1-CB 4.18Å; L77-E178 HydrophobicContact CD2-CB 4.24Å; L77-E178 HydrophobicContact CD2-CG 4.05Å
78	A	96.2	Very high	92.4	Very high	27 Å²	27	46.9 Å²	46.9	22%	0.223	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-35.6	179.1	0	0	0	0	0	113.4	A74 Q75 N76	A74-A78 WeakPolarHBondContact O-CB 3.11Å; A74-A78 PolarHBondContact O-N 3.47Å; Q75-A78 PolarHBondContact O-N 3.49Å; Q75-A78 VanDerWaalsContact O-N 3.14Å; N76-A78 VanDerWaalsContact C-N 3.33Å; N76-A78 PolarHBondContact O-N 2.85Å
79	N	96.1	Very high	93.9	Very high	129 Å²	129	43.7 Å²	43.7	69%	0.69	24%	0.237	S	C	*	.	H	α-helix	trans	-73	-36.4	175.8	-67.2	-19.3	0	0	0	112.1	Q75 N76 L77	Q75-N79 VanDerWaalsContact O-CG 3.27Å; Q75-N79 PolarHBondContact O-N 2.96Å; Q75-N79 PolarHBondContact O-ND2 3.2Å; N76-N79 PolarHBondContact O-N 3.3Å; L77-N79 VanDerWaalsContact C-N 3.33Å; L77-N79 PolarHBondContact O-N 3.42Å
80	K	96.4	Very high	94.9	Very high	126 Å²	126	42.6 Å²	42.6	55%	0.548	23%	0.227	S	C	.	.	H	α-helix	trans	-79.2	-37.8	-179.2	-176.2	-177.3	174.2	-169.8	0	113	N76 L77	N76-K80 WeakPolarHBondContact O-CB 3.46Å; N76-K80 PolarHBondContact O-N 3.37Å; L77-K80 PolarHBondContact O-N 3.43Å
81	I	98.1	Very high	95.5	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.036	22%	0.218	C	C	.	.			trans	-116.7	94.8	-166.9	-56.6	174.8	0	0	0	109.9	L77 I83 Y158 R174 L177 E178	L77-I81 HydrophobicContact CD2-CD1 4.02Å; L77-I81 VanDerWaalsContact O-CB 3.32Å; L77-I81 WeakPolarHBondContact O-CB 3.43Å; L77-I81 PolarHBondContact O-N 3.44Å; I81-I83 HydrophobicContact CG2-CD1 4.19Å; I81-I83 HydrophobicContact CG2-CG1 4.12Å; I81-Y158 HydrophobicContact CG2-CD2 3.82Å; I81-Y158 HydrophobicContact CG2-CE2 3.72Å; I81-R174 HydrophobicContact CB-CB 4.43Å; I81-R174 HydrophobicContact CB-CG 4.1Å; I81-R174 HydrophobicContact CD1-CB 4.18Å; I81-R174 WeakPolarHBondContact CD1-O 3.14Å; I81-R174 HydrophobicContact CG2-CB 4.46Å; I81-R174 HydrophobicContact CG2-CG 4.04Å; I81-R174 PolarHBondContact O-NE 2.89Å; I81-L177 HydrophobicContact CD1-CB 4.44Å; I81-L177 HydrophobicContact CG2-CB 4.13Å; I81-L177 HydrophobicContact CG2-CD1 4.18Å; I81-E178 HydrophobicContact CD1-CB 4.29Å
82	N	97.9	Very high	95.9	Very high	56 Å²	56	43.3 Å²	43.3	30%	0.299	23%	0.226	S	C	.	.			trans	-85.7	119.6	-178.3	-73	-36.9	0	0	0	112.1	T110 Y154 A157 Y158	N82-T110 WeakPolarHBondContact CA-OG1 3.48Å; N82-T110 HydrophobicContact CB-CG2 4.39Å; N82-T110 WeakPolarHBondContact OD1-CG2 3.38Å; N82-Y154 WeakPolarHBondContact CB-OH 3.15Å; N82-A157 PolarHBondContact O-N 3.4Å; N82-A157 VanDerWaalsContact O-N 3.16Å; N82-Y158 PolarHBondContact O-N 3.07Å
83	I	98.7	Very high	96.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.8	-175.5	-55	168.6	0	0	0	109.9	I81 T110 R111 Y158 L160 M170 L173 R174 L177	I81-I83 HydrophobicContact CG2-CD1 4.19Å; I81-I83 HydrophobicContact CG2-CG1 4.12Å; I83-T110 PolarHBondContact N-OG1 3.23Å; I83-T110 VanDerWaalsContact N-OG1 3.07Å; I83-T110 WeakPolarHBondContact O-CB 3.45Å; I83-T110 PolarHBondContact O-N 2.94Å; I83-T110 VanDerWaalsContact O-N 3.08Å; I83-R111 PolarHBondContact O-N 2.95Å; I83-Y158 WeakPolarHBondContact CA-O 3.47Å; I83-Y158 HydrophobicContact CG1-CD2 4.44Å; I83-L160 HydrophobicContact CG2-CB 3.78Å; I83-M170 HydrophobicContact CB-CE 3.98Å; I83-M170 HydrophobicContact CD1-CE 3.59Å; I83-M170 HydrophobicContact CG1-CE 4.37Å; I83-M170 HydrophobicContact CG2-CE 3.95Å; I83-L173 HydrophobicContact CD1-CD2 3.86Å; I83-L173 HydrophobicContact CD1-CG 3.97Å; I83-R174 HydrophobicContact CD1-CG 3.74Å; I83-L177 HydrophobicContact CD1-CD1 3.94Å; I83-L177 HydrophobicContact CG1-CD1 4.36Å
84	Y	98.7	Very high	96.6	Very high	8 Å²	8	38.6 Å²	38.6	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	116.3	167.7	-164.2	-66	0	0	0	109.6	R111 S113 L149 Q152 Y154 Y158 F159 L160	Y84-R111 CarbonylContact C-O 3.57Å; Y84-R111 WeakPolarHBondContact CA-O 3.23Å; Y84-R111 HydrophobicContact CD2-CB 3.69Å; Y84-R111 HydrophobicContact CE2-CB 3.91Å; Y84-R111 HydrophobicContact CG-CB 4.29Å; Y84-S113 WeakPolarHBondContact OH-CB 3.32Å; Y84-S113 PolarHBondContact OH-OG 2.89Å; Y84-L149 HydrophobicContact CD1-CD2 3.94Å; Y84-L149 HydrophobicContact CE1-CD2 3.72Å; Y84-Q152 HydrophobicContact CE2-CG 4.36Å; Y84-Y154 AromaticContact CD2-CD1 4Å; Y84-Y154 HydrophobicContact CD2-CD1 4Å; Y84-Y154 HydrophobicContact CD2-CE1 4.49Å; Y84-Y158 PolarHBondContact N-O 2.82Å; Y84-F159 HydrophobicContact CG-CD1 4.27Å; Y84-F159 HydrophobicContact CG-CE1 4.4Å; Y84-F159 CarbonylContact O-C 3.56Å; Y84-F159 VanDerWaalsContact O-CA 3.29Å; Y84-F159 WeakPolarHBondContact O-CA 3.33Å; Y84-L160 PolarHBondContact O-N 3.23Å
85	C	98.7	Very high	96.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.7	175.9	-57.9	0	0	0	0	110.5	I87 C109 R111 F112 S113 L160	C85-I87 HydrophobicContact CB-CD1 3.95Å; C85-C109 HydrophobicContact CB-CB 3.76Å; C85-C109 WeakPolarHBondContact CB-SG 3.38Å; C85-C109 WeakPolarHBondContact SG-CB 3.45Å; C85-C109 CovalentContact SG-SG 2.02Å; C85-C109 PolarHBondContact SG-SG 3.42Å; C85-R111 PolarHBondContact N-O 3.11Å; C85-F112 HydrophobicContact CB-CB 3.89Å; C85-F112 CarbonylContact O-C 3.54Å; C85-F112 WeakPolarHBondContact O-CA 3.27Å; C85-F112 WeakPolarHBondContact O-CB 3.49Å; C85-S113 PolarHBondContact O-N 2.94Å; C85-L160 CarbonylContact C-O 3.48Å; C85-L160 WeakPolarHBondContact CA-O 3.33Å
86	Y	98.3	Very high	97	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	113	176.2	66.8	-89.2	0	0	0	108.8	S113 I115 M142 T145 L149 F159 L160 K161 A162 Y207	Y86-S113 WeakPolarHBondContact CA-O 3.06Å; Y86-I115 HydrophobicContact CD2-CD1 4.31Å; Y86-I115 HydrophobicContact CG-CD1 4.47Å; Y86-M142 HydrophobicContact CE2-CE 4.12Å; Y86-M142 HydrophobicContact CE2-SD 4.05Å; Y86-T145 HydrophobicContact CD2-CG2 4.03Å; Y86-T145 HydrophobicContact CE2-CG2 4.37Å; Y86-L149 HydrophobicContact CD1-CD1 3.61Å; Y86-L149 HydrophobicContact CD1-CD2 4.43Å; Y86-L149 HydrophobicContact CD2-CD1 3.86Å; Y86-L149 HydrophobicContact CE1-CD1 3.86Å; Y86-L149 HydrophobicContact CE2-CD1 4.08Å; Y86-L149 HydrophobicContact CG-CD1 3.59Å; Y86-L149 HydrophobicContact CG-CD2 4.28Å; Y86-F159 HydrophobicContact CD1-CB 4.18Å; Y86-F159 HydrophobicContact CE1-CB 3.83Å; Y86-L160 VanDerWaalsContact CD1-O 3.23Å; Y86-L160 WeakPolarHBondContact CD1-O 3.41Å; Y86-L160 PolarHBondContact N-O 2.8Å; Y86-K161 HydrophobicContact CD2-CB 4.4Å; Y86-K161 HydrophobicContact CD2-CG 4.24Å; Y86-K161 HydrophobicContact CE1-CB 4.02Å; Y86-K161 HydrophobicContact CE2-CB 3.62Å; Y86-K161 HydrophobicContact CE2-CG 3.5Å; Y86-K161 VanDerWaalsContact CZ-CB 3.42Å; Y86-K161 WeakPolarHBondContact OH-CB 3.05Å; Y86-A162 PolarHBondContact O-N 3.34Å; Y86-A162 VanDerWaalsContact O-N 3.14Å; Y86-Y207 WeakPolarHBondContact OH-CE2 3.16Å
87	I	98.3	Very high	97.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120	-166.6	-56.2	96.9	0	0	0	110	C85 V101 W105 A106 F112 S113 F114 I115 A162	C85-I87 HydrophobicContact CB-CD1 3.95Å; I87-V101 HydrophobicContact CG1-CG1 4.34Å; I87-V101 HydrophobicContact CG2-CG1 4.28Å; I87-W105 HydrophobicContact CG1-CH2 4.01Å; I87-W105 HydrophobicContact CG1-CZ2 4.33Å; I87-A106 HydrophobicContact CD1-CB 4.48Å; I87-F112 HydrophobicContact CD1-CB 3.96Å; I87-S113 PolarHBondContact N-O 2.69Å; I87-F114 HydrophobicContact CB-CD1 3.67Å; I87-F114 HydrophobicContact CB-CE1 3.78Å; I87-F114 HydrophobicContact CD1-CE1 4.45Å; I87-F114 HydrophobicContact CG1-CE1 4.37Å; I87-F114 HydrophobicContact CG2-CD1 3.8Å; I87-F114 HydrophobicContact CG2-CE1 3.69Å; I87-F114 CarbonylContact O-C 3.59Å; I87-F114 VanDerWaalsContact O-CA 3.29Å; I87-F114 WeakPolarHBondContact O-CA 3.44Å; I87-I115 PolarHBondContact O-N 3.03Å; I87-A162 CarbonylContact C-O 3.58Å; I87-A162 WeakPolarHBondContact CA-O 3.35Å; I87-A162 HydrophobicContact CG1-CB 4.26Å
88	L	97.6	Very high	97.2	Very high	4 Å²	4	40 Å²	40	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	128.5	179.2	-51.5	-171.7	0	0	0	110.7	I115 K136 M142 A162 D164	L88-I115 HydrophobicContact CD2-CB 3.87Å; L88-I115 HydrophobicContact CD2-CD1 4.33Å; L88-I115 HydrophobicContact CD2-CG1 4.34Å; L88-I115 HydrophobicContact CD2-CG2 4.16Å; L88-K136 HydrophobicContact CB-CG 4.25Å; L88-M142 HydrophobicContact CD1-CE 3.95Å; L88-M142 HydrophobicContact CD2-CE 4.41Å; L88-A162 PolarHBondContact N-O 2.59Å; L88-D164 PolarHBondContact O-N 2.83Å
89	T	96.7	Very high	97.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.			trans	-144.8	174.5	176.9	-174.7	0	0	0	0	110.3	A98 F114 I115 M123 Y134 D164	T89-A98 HydrophobicContact CG2-CB 4.09Å; T89-A98 WeakPolarHBondContact OG1-CB 3.16Å; T89-F114 HydrophobicContact CG2-CB 4.07Å; T89-F114 HydrophobicContact CG2-CD1 4.16Å; T89-I115 WeakPolarHBondContact CG2-O 3.46Å; T89-I115 PolarHBondContact N-O 3.47Å; T89-M123 HydrophobicContact CG2-CE 4.48Å; T89-Y134 WeakPolarHBondContact O-CE1 3.47Å; T89-Y134 VanDerWaalsContact O-CZ 3.31Å; T89-Y134 PolarHBondContact O-OH 3.39Å; T89-D164 PolarHBondContact OG1-OD2 3.14Å
90	E	95.5	Very high	97.4	Very high	59 Å²	59	38 Å²	38	28%	0.276	19%	0.186	S	C	.	.			trans	-124.3	158.5	172.5	-67.5	166.3	153.6	0	0	110.4	Q92 S93 H94 Y134 K136	E90-Q92 VanDerWaalsContact C-N 3.3Å; E90-Q92 PolarHBondContact O-N 3.46Å; E90-Q92 PolarHBondContact OE2-NE2 3.41Å; E90-S93 CarbonylContact O-C 3.57Å; E90-S93 WeakPolarHBondContact O-CA 3.38Å; E90-S93 PolarHBondContact O-N 2.79Å; E90-H94 PolarHBondContact O-CD2 3.08Å; E90-H94 PolarHBondContact O-N 2.76Å; E90-H94 PolarHBondContact O-NE2 3.34Å; E90-Y134 HydrophobicContact CG-CE1 4.35Å; E90-K136 HydrophobicContact CG-CB 3.86Å; E90-K136 HydrophobicContact CG-CD 3.93Å; E90-K136 HydrophobicContact CG-CG 4.49Å; E90-K136 WeakPolarHBondContact OE1-CB 3.34Å
91	P	94.8	Very high	97.4	Very high	43 Å²	43	32 Å²	32	28%	0.279	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-50.5	-44.3	-178.8	-29.2	36.3	0	0	0	114.8	S93 H94 S117 K118	P91-S93 PolarHBondContact O-N 2.84Å; P91-H94 PolarHBondContact O-N 3.33Å; P91-S117 WeakPolarHBondContact CD-OG 3.44Å; P91-S117 WeakPolarHBondContact CG-OG 3.09Å; P91-K118 HydrophobicContact CB-CB 4.13Å; P91-K118 HydrophobicContact CG-CB 3.79Å
92	Q	96.3	Very high	97.4	Very high	126 Å²	126	33.4 Å²	33.4	59%	0.589	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-65.6	-20.8	177.5	65	-84.9	16.8	0	0	113.8	E90 T96	E90-Q92 VanDerWaalsContact C-N 3.3Å; E90-Q92 PolarHBondContact O-N 3.46Å; E90-Q92 PolarHBondContact OE2-NE2 3.41Å; Q92-T96 PolarHBondContact O-OG1 2.75Å; Q92-T96 VanDerWaalsContact O-OG1 3.13Å
93	S	96.9	Very high	97.3	Very high	7 Å²	7	33.2 Å²	33.2	5%	0.049	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-100.4	-2.5	-176.9	-64.1	0	0	0	0	113.3	E90 P91 T96 K97 A98 D164	E90-S93 CarbonylContact O-C 3.57Å; E90-S93 WeakPolarHBondContact O-CA 3.38Å; E90-S93 PolarHBondContact O-N 2.79Å; P91-S93 PolarHBondContact O-N 2.84Å; S93-T96 WeakPolarHBondContact CA-OG1 3.47Å; S93-K97 PolarHBondContact O-N 3.49Å; S93-A98 PolarHBondContact O-N 2.86Å; S93-D164 WeakPolarHBondContact CB-OD2 3.5Å
94	H	97.3	Very high	97.2	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.023	17%	0.167	C	C	.	.	I	π-helix	trans	-55	-60.1	-176.7	-74.2	173.1	0	0	0	112.2	E90 P91 A98 Y99 S116 K118 E120 M123	E90-H94 PolarHBondContact O-CD2 3.08Å; E90-H94 PolarHBondContact O-N 2.76Å; E90-H94 PolarHBondContact O-NE2 3.34Å; P91-H94 PolarHBondContact O-N 3.33Å; H94-A98 PolarHBondContact O-N 3.33Å; H94-Y99 WeakPolarHBondContact O-CB 3.35Å; H94-Y99 PolarHBondContact O-N 3.21Å; H94-S116 PolarHBondContact CE1-OG 3.35Å; H94-S116 VanDerWaalsContact CE1-OG 3.25Å; H94-S116 VanDerWaalsContact NE2-CB 3.27Å; H94-S116 WeakPolarHBondContact NE2-CB 3.29Å; H94-S116 PolarHBondContact NE2-OG 2.95Å; H94-K118 PolarHBondContact CE1-O 3.45Å; H94-E120 HydrophobicContact CB-CB 4.41Å; H94-E120 HydrophobicContact CB-CG 4.27Å; H94-E120 WeakPolarHBondContact ND1-CB 3.48Å; H94-M123 HydrophobicContact CB-SD 3.81Å
95	L	96.6	Very high	97.2	Very high	89 Å²	89	32.8 Å²	32.8	47%	0.466	17%	0.166	S	C	.	.	I	π-helix	trans	-85.7	-26.4	-177.1	-57.8	-177.4	0	0	0	112.8	E120 L122	L95-E120 HydrophobicContact CD2-CG 4.34Å; L95-L122 HydrophobicContact CD2-CD1 4.17Å
96	T	97.3	Very high	97.1	Very high	81 Å²	81	32.8 Å²	32.8	50%	0.497	17%	0.166	S	C	.	.	I	π-helix	trans	-85	-18.8	-175.7	57.7	0	0	0	0	113.5	Q92 S93 H100 P318	Q92-T96 PolarHBondContact O-OG1 2.75Å; Q92-T96 VanDerWaalsContact O-OG1 3.13Å; S93-T96 WeakPolarHBondContact CA-OG1 3.47Å; T96-H100 PolarHBondContact O-CD2 3.3Å; T96-P318 WeakPolarHBondContact O-CG 3.45Å
97	K	97.6	Very high	97	Very high	74 Å²	74	39 Å²	39	32%	0.322	19%	0.189	S	C	.	.	I	π-helix	trans	-138.2	-58.9	-179.3	-62.1	-178.9	-176.7	171	0	112.8	S93 Y99 H100 V101 D164 T165	S93-K97 PolarHBondContact O-N 3.49Å; K97-Y99 VanDerWaalsContact C-N 3.33Å; K97-Y99 PolarHBondContact O-N 2.94Å; K97-H100 WeakPolarHBondContact O-CB 3.37Å; K97-H100 PolarHBondContact O-N 3.09Å; K97-V101 PolarHBondContact O-N 3.43Å; K97-D164 HydrophobicContact CB-CB 3.97Å; K97-T165 HydrophobicContact CD-CG2 4.13Å
98	A	97.6	Very high	97	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.199	C	C	.	.	I	π-helix	trans	-66.7	-32.7	-170.5	0	0	0	0	0	113.5	T89 S93 H94 H100 V101 Q102 F114 M123 D164	T89-A98 HydrophobicContact CG2-CB 4.09Å; T89-A98 WeakPolarHBondContact OG1-CB 3.16Å; S93-A98 PolarHBondContact O-N 2.86Å; H94-A98 PolarHBondContact O-N 3.33Å; A98-H100 PolarHBondContact O-N 2.71Å; A98-V101 WeakPolarHBondContact O-CB 3.5Å; A98-V101 PolarHBondContact O-N 3.07Å; A98-V101 VanDerWaalsContact O-N 3.14Å; A98-Q102 PolarHBondContact O-N 2.96Å; A98-F114 HydrophobicContact CB-CD1 3.82Å; A98-F114 HydrophobicContact CB-CE1 3.65Å; A98-F114 HydrophobicContact CB-CZ 4.4Å; A98-F114 WeakPolarHBondContact O-CE1 3.43Å; A98-F114 WeakPolarHBondContact O-CZ 3.37Å; A98-M123 HydrophobicContact CB-CE 3.35Å; A98-M123 HydrophobicContact CB-SD 4.37Å; A98-D164 HydrophobicContact CB-CB 4.09Å
99	Y	97.5	Very high	97	Very high	73 Å²	73	42 Å²	42	29%	0.286	20%	0.202	S	C	.	.	H	α-helix	trans	-57.9	-36.4	170.9	-178.3	-98.9	0	0	0	112.4	H94 K97 Q102 T103	H94-Y99 WeakPolarHBondContact O-CB 3.35Å; H94-Y99 PolarHBondContact O-N 3.21Å; K97-Y99 VanDerWaalsContact C-N 3.33Å; K97-Y99 PolarHBondContact O-N 2.94Å; Y99-Q102 WeakPolarHBondContact O-CB 3.13Å; Y99-Q102 PolarHBondContact O-N 3.46Å; Y99-T103 HydrophobicContact CD1-CG2 4.42Å; Y99-T103 HydrophobicContact CE1-CG2 3.95Å; Y99-T103 HydrophobicContact CE2-CG2 4.44Å; Y99-T103 WeakPolarHBondContact O-CG2 3.32Å; Y99-T103 PolarHBondContact O-N 2.85Å; Y99-T103 VanDerWaalsContact O-N 3.11Å; Y99-T103 PolarHBondContact O-OG1 3.24Å; Y99-T103 VanDerWaalsContact O-OG1 3.11Å
100	H	97.7	Very high	97.1	Very high	41 Å²	41	44.2 Å²	44.2	19%	0.19	22%	0.215	C	C	.	.	H	α-helix	trans	-73.7	-31.5	177.6	-57.5	-70.3	0	0	0	112.3	T96 K97 A98 T103 T104 P318 M321 Y322	T96-H100 PolarHBondContact O-CD2 3.3Å; K97-H100 WeakPolarHBondContact O-CB 3.37Å; K97-H100 PolarHBondContact O-N 3.09Å; A98-H100 PolarHBondContact O-N 2.71Å; H100-T103 WeakPolarHBondContact CA-OG1 3.34Å; H100-T103 PolarHBondContact O-N 3.03Å; H100-T103 PolarHBondContact O-OG1 3.46Å; H100-T104 WeakPolarHBondContact O-CB 3.46Å; H100-T104 WeakPolarHBondContact O-CG2 3.42Å; H100-T104 PolarHBondContact O-N 3.16Å; H100-T104 VanDerWaalsContact O-N 3.11Å; H100-T104 PolarHBondContact O-OG1 3.15Å; H100-P318 HydrophobicContact CB-CB 3.95Å; H100-P318 HydrophobicContact CB-CG 4.39Å; H100-P318 VanDerWaalsContact CD2-CB 3.42Å; H100-P318 WeakPolarHBondContact CD2-CB 3.37Å; H100-P318 VanDerWaalsContact CD2-CG 3.41Å; H100-P318 WeakPolarHBondContact CD2-CG 3.46Å; H100-M321 HydrophobicContact CB-SD 4.44Å; H100-Y322 HydrophobicContact CB-CE2 4.17Å; H100-Y322 AromaticContact CG-CE2 4Å; H100-Y322 AromaticContact ND1-CE2 3.32Å; H100-Y322 VanDerWaalsContact ND1-CE2 3.32Å; H100-Y322 WeakPolarHBondContact ND1-CE2 3.44Å; H100-Y322 AromaticContact ND1-CZ 3.5Å; H100-Y322 PolarHBondContact ND1-OH 2.93Å
101	V	98.2	Very high	97.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-45.3	168	167.2	0	0	0	0	111.1	I87 K97 A98 T103 T104 W105 A106 F114 M321	I87-V101 HydrophobicContact CG1-CG1 4.34Å; I87-V101 HydrophobicContact CG2-CG1 4.28Å; K97-V101 PolarHBondContact O-N 3.43Å; A98-V101 WeakPolarHBondContact O-CB 3.5Å; A98-V101 PolarHBondContact O-N 3.07Å; A98-V101 VanDerWaalsContact O-N 3.14Å; V101-T103 VanDerWaalsContact C-N 3.32Å; V101-T103 PolarHBondContact O-N 3.5Å; V101-T104 PolarHBondContact O-N 3.27Å; V101-T104 PolarHBondContact O-OG1 2.98Å; V101-W105 HydrophobicContact CG1-CD2 4.41Å; V101-W105 HydrophobicContact CG1-CH2 4.38Å; V101-W105 HydrophobicContact CG1-CZ2 3.51Å; V101-W105 PolarHBondContact O-N 3.43Å; V101-A106 HydrophobicContact CG1-CB 3.78Å; V101-A106 VanDerWaalsContact O-CB 3.31Å; V101-A106 WeakPolarHBondContact O-CB 3.44Å; V101-A106 PolarHBondContact O-N 2.73Å; V101-A106 VanDerWaalsContact O-N 3.11Å; V101-F114 HydrophobicContact CB-CE1 4.23Å; V101-F114 HydrophobicContact CB-CZ 4.3Å; V101-F114 HydrophobicContact CG1-CE1 4.06Å; V101-F114 HydrophobicContact CG1-CZ 4.11Å; V101-M321 HydrophobicContact CG2-CE 3.71Å; V101-M321 HydrophobicContact CG2-SD 3.8Å
102	Q	96.8	Very high	97.3	Very high	36 Å²	36	47.1 Å²	47.1	17%	0.168	22%	0.218	C	C	.	.	H	α-helix	trans	-60.3	-40.8	178.2	-174.7	167.9	-82	0	0	112.7	A98 Y99 F112 F114 L122	A98-Q102 PolarHBondContact O-N 2.96Å; Y99-Q102 WeakPolarHBondContact O-CB 3.13Å; Y99-Q102 PolarHBondContact O-N 3.46Å; Q102-F112 HydrophobicContact CB-CE2 4.46Å; Q102-F112 HydrophobicContact CG-CE2 3.73Å; Q102-F112 HydrophobicContact CG-CZ 3.7Å; Q102-F114 HydrophobicContact CB-CE2 3.91Å; Q102-F114 HydrophobicContact CB-CZ 3.89Å; Q102-F114 HydrophobicContact CG-CE2 4.39Å; Q102-L122 PolarHBondContact NE2-O 3.28Å
103	T	95.8	Very high	97.4	Very high	51 Å²	51	41.7 Å²	41.7	31%	0.313	19%	0.194	S	C	.	.	H	α-helix	trans	-85.5	-7.8	-175.5	54.1	0	0	0	0	114	Y99 H100 V101 Y322	Y99-T103 HydrophobicContact CD1-CG2 4.42Å; Y99-T103 HydrophobicContact CE1-CG2 3.95Å; Y99-T103 HydrophobicContact CE2-CG2 4.44Å; Y99-T103 WeakPolarHBondContact O-CG2 3.32Å; Y99-T103 PolarHBondContact O-N 2.85Å; Y99-T103 VanDerWaalsContact O-N 3.11Å; Y99-T103 PolarHBondContact O-OG1 3.24Å; Y99-T103 VanDerWaalsContact O-OG1 3.11Å; H100-T103 WeakPolarHBondContact CA-OG1 3.34Å; H100-T103 PolarHBondContact O-N 3.03Å; H100-T103 PolarHBondContact O-OG1 3.46Å; V101-T103 VanDerWaalsContact C-N 3.32Å; V101-T103 PolarHBondContact O-N 3.5Å; T103-Y322 PolarHBondContact OG1-OH 3.4Å
104	T	97.5	Very high	97.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-95.9	178	55.4	0	0	0	0	111.7	H100 V101 R107 M321 Y322 E325	H100-T104 WeakPolarHBondContact O-CB 3.46Å; H100-T104 WeakPolarHBondContact O-CG2 3.42Å; H100-T104 PolarHBondContact O-N 3.16Å; H100-T104 VanDerWaalsContact O-N 3.11Å; H100-T104 PolarHBondContact O-OG1 3.15Å; V101-T104 PolarHBondContact O-N 3.27Å; V101-T104 PolarHBondContact O-OG1 2.98Å; T104-R107 WeakPolarHBondContact O-CD 3.28Å; T104-R107 WeakPolarHBondContact O-CG 3.36Å; T104-R107 PolarHBondContact O-NE 3.31Å; T104-M321 HydrophobicContact CG2-CB 4.28Å; T104-Y322 HydrophobicContact CG2-CD1 3.52Å; T104-Y322 HydrophobicContact CG2-CE1 3.44Å; T104-Y322 VanDerWaalsContact CG2-CE1 3.44Å; T104-Y322 HydrophobicContact CG2-CG 4.25Å; T104-E325 HydrophobicContact CG2-CB 4.47Å
105	W	97.8	Very high	97.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-30.6	-168.5	67.2	-91.3	0	0	0	113.7	I87 V101 R107 R108 L160 A162 T166 Y167 V168 M170	I87-W105 HydrophobicContact CG1-CH2 4.01Å; I87-W105 HydrophobicContact CG1-CZ2 4.33Å; V101-W105 HydrophobicContact CG1-CD2 4.41Å; V101-W105 HydrophobicContact CG1-CH2 4.38Å; V101-W105 HydrophobicContact CG1-CZ2 3.51Å; V101-W105 PolarHBondContact O-N 3.43Å; W105-R107 PolarHBondContact O-N 2.87Å; W105-R107 VanDerWaalsContact O-N 3.12Å; W105-R108 WeakPolarHBondContact O-CB 3.39Å; W105-R108 PolarHBondContact O-N 2.8Å; W105-L160 HydrophobicContact CZ3-CD2 4.23Å; W105-A162 HydrophobicContact CH2-CB 3.56Å; W105-A162 HydrophobicContact CZ2-CB 3.89Å; W105-T166 PolarHBondContact NE1-O 3.04Å; W105-Y167 HydrophobicContact CB-CD2 4.05Å; W105-Y167 HydrophobicContact CB-CE1 4.31Å; W105-Y167 HydrophobicContact CB-CE2 3.82Å; W105-Y167 HydrophobicContact CB-CG 4.38Å; W105-Y167 AromaticContact CD1-CD2 3.46Å; W105-Y167 VanDerWaalsContact CD1-CD2 3.46Å; W105-Y167 AromaticContact CD1-CG 3.85Å; W105-Y167 HydrophobicContact CG-CD2 4.04Å; W105-Y167 HydrophobicContact CG-CE2 4.3Å; W105-Y167 HydrophobicContact CG-CG 4.26Å; W105-V168 WeakPolarHBondContact CB-O 3.49Å; W105-V168 HydrophobicContact CD2-CB 4.09Å; W105-V168 HydrophobicContact CD2-CG2 4.37Å; W105-V168 HydrophobicContact CE3-CB 3.63Å; W105-V168 HydrophobicContact CE3-CG2 4.06Å; W105-V168 HydrophobicContact CH2-CB 4.38Å; W105-V168 HydrophobicContact CH2-CG2 3.9Å; W105-V168 HydrophobicContact CZ2-CG2 4.2Å; W105-V168 HydrophobicContact CZ3-CB 3.81Å; W105-V168 HydrophobicContact CZ3-CG2 3.82Å; W105-M170 HydrophobicContact CE3-SD 4.44Å; W105-M170 HydrophobicContact CZ3-SD 4.43Å
106	A	98.1	Very high	97.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-65.2	-23	-173.8	0	0	0	0	0	112.8	I87 V101 R108 C109 F112	I87-A106 HydrophobicContact CD1-CB 4.48Å; V101-A106 HydrophobicContact CG1-CB 3.78Å; V101-A106 VanDerWaalsContact O-CB 3.31Å; V101-A106 WeakPolarHBondContact O-CB 3.44Å; V101-A106 PolarHBondContact O-N 2.73Å; V101-A106 VanDerWaalsContact O-N 3.11Å; A106-R108 PolarHBondContact O-N 3.25Å; A106-C109 WeakPolarHBondContact O-CB 3.43Å; A106-C109 PolarHBondContact O-N 3.35Å; A106-C109 PolarHBondContact O-SG 3.47Å; A106-F112 HydrophobicContact CB-CD1 4.48Å; A106-F112 HydrophobicContact CB-CD2 4.35Å; A106-F112 HydrophobicContact CB-CG 4.23Å; A106-F112 WeakPolarHBondContact O-CD1 3.29Å
107	R	96.2	Very high	97.1	Very high	130 Å²	130	35.9 Å²	35.9	49%	0.491	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-61.6	-20.1	172	76	-164.9	174.8	126	-5.3	113.7	T104 W105 C109 E325	T104-R107 WeakPolarHBondContact O-CD 3.28Å; T104-R107 WeakPolarHBondContact O-CG 3.36Å; T104-R107 PolarHBondContact O-NE 3.31Å; W105-R107 PolarHBondContact O-N 2.87Å; W105-R107 VanDerWaalsContact O-N 3.12Å; R107-C109 VanDerWaalsContact C-N 3.34Å; R107-E325 IonicContact CZ-OE1 2.73Å; R107-E325 IonicContact NE-OE1 2.89Å; R107-E325 IonicContact NH2-OE1 3.87Å; R107-E325 PolarHBondContact NH2-OE1 3.39Å
108	R	97.2	Very high	96.8	Very high	57 Å²	57	38.8 Å²	38.8	22%	0.215	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-85.8	-6.8	176.1	-60.1	177	-173.4	-89.6	-6.5	112.5	W105 A106 M170 E171 R174 E325 Y329	W105-R108 WeakPolarHBondContact O-CB 3.39Å; W105-R108 PolarHBondContact O-N 2.8Å; A106-R108 PolarHBondContact O-N 3.25Å; R108-M170 HydrophobicContact CB-CB 3.89Å; R108-M170 HydrophobicContact CB-CG 3.76Å; R108-E171 IonicContact CZ-OE1 2.71Å; R108-E171 IonicContact NE-OE1 3.48Å; R108-E171 IonicContact NH1-OE1 3.96Å; R108-E171 PolarHBondContact NH1-OE1 3.31Å; R108-R174 PolarHBondContact O-NH1 3.11Å; R108-R174 PolarHBondContact O-NH2 2.89Å; R108-E325 IonicContact CZ-OE1 2.79Å; R108-E325 IonicContact NE-OE1 2.84Å; R108-E325 IonicContact NH2-OE1 3.96Å; R108-E325 PolarHBondContact NH2-OE1 3.3Å; R108-Y329 VanDerWaalsContact CZ-CE1 3.42Å; R108-Y329 VanDerWaalsContact NH2-CD1 3.32Å
109	C	98.3	Very high	96.5	Very high	11 Å²	11	41.2 Å²	41.2	7%	0.074	20%	0.198	C	C	.	.	S	Bend	trans	-70.4	151.1	168.7	-59.8	0	0	0	0	110.6	C85 A106 R107 R111 F112	C85-C109 HydrophobicContact CB-CB 3.76Å; C85-C109 WeakPolarHBondContact CB-SG 3.38Å; C85-C109 WeakPolarHBondContact SG-CB 3.45Å; C85-C109 CovalentContact SG-SG 2.02Å; C85-C109 PolarHBondContact SG-SG 3.42Å; A106-C109 WeakPolarHBondContact O-CB 3.43Å; A106-C109 PolarHBondContact O-N 3.35Å; A106-C109 PolarHBondContact O-SG 3.47Å; R107-C109 VanDerWaalsContact C-N 3.34Å; C109-R111 WeakPolarHBondContact CB-O 3.34Å; C109-F112 HydrophobicContact CB-CB 4.14Å
110	T	97.9	Very high	96.3	Very high	46 Å²	46	40 Å²	40	28%	0.282	19%	0.194	S	C	.	.	S	Bend	trans	-67.5	-43.1	176.5	-48.7	0	0	0	0	110.9	N82 I83 Y154	N82-T110 WeakPolarHBondContact CA-OG1 3.48Å; N82-T110 HydrophobicContact CB-CG2 4.39Å; N82-T110 WeakPolarHBondContact OD1-CG2 3.38Å; I83-T110 PolarHBondContact N-OG1 3.23Å; I83-T110 VanDerWaalsContact N-OG1 3.07Å; I83-T110 WeakPolarHBondContact O-CB 3.45Å; I83-T110 PolarHBondContact O-N 2.94Å; I83-T110 VanDerWaalsContact O-N 3.08Å; T110-Y154 WeakPolarHBondContact CG2-OH 3.5Å
111	R	97.7	Very high	96.1	Very high	144 Å²	144	47.8 Å²	47.8	54%	0.543	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.8	166.4	-67.9	-68.1	178.6	158.5	-4.7	107.6	I83 Y84 C85 C109 Y154	I83-R111 PolarHBondContact O-N 2.95Å; Y84-R111 CarbonylContact C-O 3.57Å; Y84-R111 WeakPolarHBondContact CA-O 3.23Å; Y84-R111 HydrophobicContact CD2-CB 3.69Å; Y84-R111 HydrophobicContact CE2-CB 3.91Å; Y84-R111 HydrophobicContact CG-CB 4.29Å; C85-R111 PolarHBondContact N-O 3.11Å; C109-R111 WeakPolarHBondContact CB-O 3.34Å; R111-Y154 HydrophobicContact CB-CD1 4.35Å; R111-Y154 HydrophobicContact CB-CE1 4.28Å; R111-Y154 HydrophobicContact CG-CD1 3.81Å; R111-Y154 HydrophobicContact CG-CD2 4.47Å; R111-Y154 HydrophobicContact CG-CE1 3.78Å; R111-Y154 HydrophobicContact CG-CE2 4.48Å; R111-Y154 HydrophobicContact CG-CG 4.14Å
112	F	98.1	Very high	96	Very high	18 Å²	18	52.8 Å²	52.8	8%	0.079	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	154.1	172.1	67.5	-91.6	0	0	0	111.4	C85 I87 Q102 A106 C109 F114 K124	C85-F112 HydrophobicContact CB-CB 3.89Å; C85-F112 CarbonylContact O-C 3.54Å; C85-F112 WeakPolarHBondContact O-CA 3.27Å; C85-F112 WeakPolarHBondContact O-CB 3.49Å; I87-F112 HydrophobicContact CD1-CB 3.96Å; Q102-F112 HydrophobicContact CB-CE2 4.46Å; Q102-F112 HydrophobicContact CG-CE2 3.73Å; Q102-F112 HydrophobicContact CG-CZ 3.7Å; A106-F112 HydrophobicContact CB-CD1 4.48Å; A106-F112 HydrophobicContact CB-CD2 4.35Å; A106-F112 HydrophobicContact CB-CG 4.23Å; A106-F112 WeakPolarHBondContact O-CD1 3.29Å; C109-F112 HydrophobicContact CB-CB 4.14Å; F112-F114 HydrophobicContact CD2-CE2 4.08Å; F112-F114 AromaticContact CE2-CE2 3.95Å; F112-F114 HydrophobicContact CE2-CE2 3.95Å; F112-K124 HydrophobicContact CD2-CB 4.46Å; F112-K124 HydrophobicContact CD2-CD 4.47Å; F112-K124 HydrophobicContact CE1-CD 4.26Å; F112-K124 HydrophobicContact CE2-CB 4.1Å; F112-K124 HydrophobicContact CE2-CD 3.86Å; F112-K124 HydrophobicContact CE2-CG 4.19Å; F112-K124 HydrophobicContact CZ-CD 3.74Å; F112-K124 HydrophobicContact CZ-CG 4.41Å
113	S	98	Very high	95.9	Very high	12 Å²	12	51.7 Å²	51.7	8%	0.084	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	151.4	169.7	-60.1	0	0	0	0	111.8	Y84 C85 Y86 I87 K124	Y84-S113 WeakPolarHBondContact OH-CB 3.32Å; Y84-S113 PolarHBondContact OH-OG 2.89Å; C85-S113 PolarHBondContact O-N 2.94Å; Y86-S113 WeakPolarHBondContact CA-O 3.06Å; I87-S113 PolarHBondContact N-O 2.69Å; S113-K124 CarbonylContact C-O 3.48Å; S113-K124 WeakPolarHBondContact CA-O 3.34Å
114	F	97.8	Very high	95.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	144.1	174	-65.6	-84.3	0	0	0	111.1	I87 T89 A98 V101 Q102 F112 M123 K124 M125 L126	I87-F114 HydrophobicContact CB-CD1 3.67Å; I87-F114 HydrophobicContact CB-CE1 3.78Å; I87-F114 HydrophobicContact CD1-CE1 4.45Å; I87-F114 HydrophobicContact CG1-CE1 4.37Å; I87-F114 HydrophobicContact CG2-CD1 3.8Å; I87-F114 HydrophobicContact CG2-CE1 3.69Å; I87-F114 CarbonylContact O-C 3.59Å; I87-F114 VanDerWaalsContact O-CA 3.29Å; I87-F114 WeakPolarHBondContact O-CA 3.44Å; T89-F114 HydrophobicContact CG2-CB 4.07Å; T89-F114 HydrophobicContact CG2-CD1 4.16Å; A98-F114 HydrophobicContact CB-CD1 3.82Å; A98-F114 HydrophobicContact CB-CE1 3.65Å; A98-F114 HydrophobicContact CB-CZ 4.4Å; A98-F114 WeakPolarHBondContact O-CE1 3.43Å; A98-F114 WeakPolarHBondContact O-CZ 3.37Å; V101-F114 HydrophobicContact CB-CE1 4.23Å; V101-F114 HydrophobicContact CB-CZ 4.3Å; V101-F114 HydrophobicContact CG1-CE1 4.06Å; V101-F114 HydrophobicContact CG1-CZ 4.11Å; Q102-F114 HydrophobicContact CB-CE2 3.91Å; Q102-F114 HydrophobicContact CB-CZ 3.89Å; Q102-F114 HydrophobicContact CG-CE2 4.39Å; F112-F114 HydrophobicContact CD2-CE2 4.08Å; F112-F114 AromaticContact CE2-CE2 3.95Å; F112-F114 HydrophobicContact CE2-CE2 3.95Å; F114-M123 HydrophobicContact CB-CE 3.85Å; F114-M123 HydrophobicContact CD1-CE 3.6Å; F114-M123 HydrophobicContact CD2-CB 4.11Å; F114-M123 HydrophobicContact CD2-CE 3.41Å; F114-M123 VanDerWaalsContact CD2-CE 3.41Å; F114-M123 HydrophobicContact CE1-CE 3.94Å; F114-M123 HydrophobicContact CE2-CE 3.76Å; F114-M123 HydrophobicContact CG-CE 3.31Å; F114-M123 HydrophobicContact CZ-CE 4.02Å; F114-K124 PolarHBondContact N-O 2.6Å; F114-M125 HydrophobicContact CB-CE 4.08Å; F114-M125 HydrophobicContact CB-SD 3.8Å; F114-M125 WeakPolarHBondContact O-CA 3.27Å; F114-L126 PolarHBondContact O-N 3.04Å
115	I	96.8	Very high	95.7	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.9	-179.9	-65.6	85.7	0	0	0	107.9	Y86 I87 L88 T89 L126 V128 Y134 T145	Y86-I115 HydrophobicContact CD2-CD1 4.31Å; Y86-I115 HydrophobicContact CG-CD1 4.47Å; I87-I115 PolarHBondContact O-N 3.03Å; L88-I115 HydrophobicContact CD2-CB 3.87Å; L88-I115 HydrophobicContact CD2-CD1 4.33Å; L88-I115 HydrophobicContact CD2-CG1 4.34Å; L88-I115 HydrophobicContact CD2-CG2 4.16Å; T89-I115 WeakPolarHBondContact CG2-O 3.46Å; T89-I115 PolarHBondContact N-O 3.47Å; I115-L126 HydrophobicContact CD1-CB 4.44Å; I115-L126 HydrophobicContact CD1-CD2 4.26Å; I115-L126 HydrophobicContact CG1-CB 4.11Å; I115-L126 HydrophobicContact CG1-CD2 3.93Å; I115-V128 HydrophobicContact CG1-CG2 4.49Å; I115-V128 HydrophobicContact CG2-CG2 4.32Å; I115-Y134 HydrophobicContact CG2-CD2 4.15Å; I115-Y134 HydrophobicContact CG2-CE2 3.59Å; I115-Y134 PolarHBondContact O-OH 3.38Å; I115-T145 HydrophobicContact CD1-CG2 4.28Å; I115-T145 HydrophobicContact CG1-CG2 3.84Å; I115-T145 HydrophobicContact CG2-CG2 4.49Å; I115-T145 WeakPolarHBondContact CG2-OG1 3.38Å
116	S	95	Very high	95.5	Very high	9 Å²	9	57 Å²	57	6%	0.063	27%	0.269	C	S	.	.			trans	-168	157	-175.4	160.1	0	0	0	0	110.7	H94 K118	H94-S116 PolarHBondContact CE1-OG 3.35Å; H94-S116 VanDerWaalsContact CE1-OG 3.25Å; H94-S116 VanDerWaalsContact NE2-CB 3.27Å; H94-S116 WeakPolarHBondContact NE2-CB 3.29Å; H94-S116 PolarHBondContact NE2-OG 2.95Å; S116-K118 VanDerWaalsContact C-N 3.32Å; S116-K118 PolarHBondContact O-N 3.04Å; S116-K118 PolarHBondContact OG-N 3.5Å; S116-K118 PolarHBondContact OG-O 3.06Å
117	S	92.6	Very high	95.2	Very high	51 Å²	51	61.1 Å²	61.1	36%	0.357	30%	0.303	S	S	.	.	S	Bend	trans	-61.2	-35.4	172.6	48.3	0	0	0	0	113.4	P91 R130	P91-S117 WeakPolarHBondContact CD-OG 3.44Å; P91-S117 WeakPolarHBondContact CG-OG 3.09Å; S117-R130 VanDerWaalsContact O-CD 3.23Å; S117-R130 WeakPolarHBondContact O-CD 3.41Å; S117-R130 PolarHBondContact O-NE 2.02Å
118	K	91	Very high	94.8	Very high	135 Å²	135	56 Å²	56	59%	0.587	29%	0.286	S	S	*	.	S	Bend	trans	-108.7	142.2	179.4	-164.6	-179.9	175	-178.5	0	110.8	P91 H94 S116 M125	P91-K118 HydrophobicContact CB-CB 4.13Å; P91-K118 HydrophobicContact CG-CB 3.79Å; H94-K118 PolarHBondContact CE1-O 3.45Å; S116-K118 VanDerWaalsContact C-N 3.32Å; S116-K118 PolarHBondContact O-N 3.04Å; S116-K118 PolarHBondContact OG-N 3.5Å; S116-K118 PolarHBondContact OG-O 3.06Å; K118-M125 WeakPolarHBondContact O-CE 3.29Å
119	A	90.8	Very high	94	Very high	50 Å²	50	57.6 Å²	57.6	41%	0.413	30%	0.299	S	S	.	.			trans	-75.4	147.1	167.9	0	0	0	0	0	110.3	M125	A119-M125 HydrophobicContact CB-CG 4.47Å
120	E	93.6	Very high	92.6	Very high	47 Å²	47	62.6 Å²	62.6	22%	0.22	32%	0.316	C	S	.	.			trans	-126.4	127.9	171	175	47.8	-108.6	0	0	108.9	H94 L95 L122 M123 M125	H94-E120 HydrophobicContact CB-CB 4.41Å; H94-E120 HydrophobicContact CB-CG 4.27Å; H94-E120 WeakPolarHBondContact ND1-CB 3.48Å; L95-E120 HydrophobicContact CD2-CG 4.34Å; E120-L122 VanDerWaalsContact C-N 3.29Å; E120-L122 HydrophobicContact CG-CB 4.49Å; E120-L122 PolarHBondContact O-N 2.8Å; E120-L122 PolarHBondContact OE1-N 2.83Å; E120-L122 VanDerWaalsContact OE1-N 3.16Å; E120-M123 HydrophobicContact CB-CB 4.25Å; E120-M123 HydrophobicContact CB-CG 4.4Å; E120-M123 HydrophobicContact CB-SD 4.12Å; E120-M123 HydrophobicContact CG-CB 4.25Å; E120-M123 HydrophobicContact CG-CG 3.96Å; E120-M123 HydrophobicContact CG-SD 3.8Å; E120-M123 PolarHBondContact O-N 2.73Å; E120-M123 VanDerWaalsContact O-O 3.06Å; E120-M125 HydrophobicContact CB-SD 4.32Å
121	K	93.8	Very high	91.2	Very high	206 Å²	206	65.9 Å²	65.9	90%	0.896	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-30.5	-172.5	-174	179.5	179.1	-178.6	0	112.2	M123	K121-M123 PolarHBondContact O-N 2.79Å
122	L	94.6	Very high	89.9	Confident	105 Å²	105	63.6 Å²	63.6	55%	0.55	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-2.8	179.6	-61.5	-179.8	0	0	0	113.7	L95 Q102 E120	L95-L122 HydrophobicContact CD2-CD1 4.17Å; Q102-L122 PolarHBondContact NE2-O 3.28Å; E120-L122 VanDerWaalsContact C-N 3.29Å; E120-L122 HydrophobicContact CG-CB 4.49Å; E120-L122 PolarHBondContact O-N 2.8Å; E120-L122 PolarHBondContact OE1-N 2.83Å; E120-L122 VanDerWaalsContact OE1-N 3.16Å
123	M	94.7	Very high	89.2	Confident	13 Å²	13	70.1 Å²	70.1	6%	0.064	37%	0.368	C	S	.	.	S	Bend	trans	-126.9	147.1	-171.6	-66.3	173.5	59.4	0	0	111.3	T89 H94 A98 F114 E120 K121 M125	T89-M123 HydrophobicContact CG2-CE 4.48Å; H94-M123 HydrophobicContact CB-SD 3.81Å; A98-M123 HydrophobicContact CB-CE 3.35Å; A98-M123 HydrophobicContact CB-SD 4.37Å; F114-M123 HydrophobicContact CB-CE 3.85Å; F114-M123 HydrophobicContact CD1-CE 3.6Å; F114-M123 HydrophobicContact CD2-CB 4.11Å; F114-M123 HydrophobicContact CD2-CE 3.41Å; F114-M123 VanDerWaalsContact CD2-CE 3.41Å; F114-M123 HydrophobicContact CE1-CE 3.94Å; F114-M123 HydrophobicContact CE2-CE 3.76Å; F114-M123 HydrophobicContact CG-CE 3.31Å; F114-M123 HydrophobicContact CZ-CE 4.02Å; E120-M123 HydrophobicContact CB-CB 4.25Å; E120-M123 HydrophobicContact CB-CG 4.4Å; E120-M123 HydrophobicContact CB-SD 4.12Å; E120-M123 HydrophobicContact CG-CB 4.25Å; E120-M123 HydrophobicContact CG-CG 3.96Å; E120-M123 HydrophobicContact CG-SD 3.8Å; E120-M123 PolarHBondContact O-N 2.73Å; E120-M123 VanDerWaalsContact O-O 3.06Å; K121-M123 PolarHBondContact O-N 2.79Å; M123-M125 HydrophobicContact CB-SD 3.75Å; M123-M125 HydrophobicContact CE-SD 4.44Å; M123-M125 PolarHBondContact O-N 3.41Å; M123-M125 VanDerWaalsContact O-N 3.15Å
124	K	94.2	Very high	89	Confident	118 Å²	118	71.3 Å²	71.3	51%	0.513	37%	0.371	S	S	.	.			trans	-76.5	101.5	172.8	-64.5	-176.9	-174.2	171.4	0	109.1	F112 S113 F114	F112-K124 HydrophobicContact CD2-CB 4.46Å; F112-K124 HydrophobicContact CD2-CD 4.47Å; F112-K124 HydrophobicContact CE1-CD 4.26Å; F112-K124 HydrophobicContact CE2-CB 4.1Å; F112-K124 HydrophobicContact CE2-CD 3.86Å; F112-K124 HydrophobicContact CE2-CG 4.19Å; F112-K124 HydrophobicContact CZ-CD 3.74Å; F112-K124 HydrophobicContact CZ-CG 4.41Å; S113-K124 CarbonylContact C-O 3.48Å; S113-K124 WeakPolarHBondContact CA-O 3.34Å; F114-K124 PolarHBondContact N-O 2.6Å
125	M	95.3	Very high	88.8	Confident	40 Å²	40	75.2 Å²	75.2	20%	0.197	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-93.9	139.1	-178.2	-53.7	-55.8	-67.5	0	0	111.3	F114 K118 A119 E120 M123	F114-M125 HydrophobicContact CB-CE 4.08Å; F114-M125 HydrophobicContact CB-SD 3.8Å; F114-M125 WeakPolarHBondContact O-CA 3.27Å; K118-M125 WeakPolarHBondContact O-CE 3.29Å; A119-M125 HydrophobicContact CB-CG 4.47Å; E120-M125 HydrophobicContact CB-SD 4.32Å; M123-M125 HydrophobicContact CB-SD 3.75Å; M123-M125 HydrophobicContact CE-SD 4.44Å; M123-M125 PolarHBondContact O-N 3.41Å; M123-M125 VanDerWaalsContact O-N 3.15Å
126	L	94.9	Very high	88.7	Confident	5 Å²	5	76.5 Å²	76.5	3%	0.026	40%	0.4	C	S	.	.			trans	-76.3	131.8	168.8	-172.8	65.1	0	0	0	108.8	F114 I115 V128 T145 A148 L149 Q152	F114-L126 PolarHBondContact O-N 3.04Å; I115-L126 HydrophobicContact CD1-CB 4.44Å; I115-L126 HydrophobicContact CD1-CD2 4.26Å; I115-L126 HydrophobicContact CG1-CB 4.11Å; I115-L126 HydrophobicContact CG1-CD2 3.93Å; L126-V128 HydrophobicContact CB-CG2 4.13Å; L126-V128 HydrophobicContact CD2-CG2 3.8Å; L126-V128 HydrophobicContact CG-CG2 3.87Å; L126-V128 PolarHBondContact O-N 3.13Å; L126-T145 HydrophobicContact CD2-CG2 4.38Å; L126-A148 HydrophobicContact CD2-CB 3.88Å; L126-A148 HydrophobicContact CG-CB 4.11Å; L126-L149 HydrophobicContact CD1-CD2 4.41Å; L126-L149 HydrophobicContact CD2-CD2 3.78Å; L126-L149 HydrophobicContact CD2-CG 3.91Å; L126-Q152 HydrophobicContact CD1-CG 4.14Å
127	A	90.3	Very high	88.7	Confident	85 Å²	85	79.2 Å²	79.2	70%	0.702	41%	0.411	S	S	*	.			trans	-73.1	93.9	170.7	0	0	0	0	0	109.2	A148	A127-A148 WeakPolarHBondContact O-CB 3.42Å
128	V	88.3	Confident	88.9	Confident	23 Å²	23	77.6 Å²	77.6	14%	0.139	40%	0.4	C	S	.	.			trans	-102.6	147.1	173.6	-173.5	0	0	0	0	108.4	I115 L126 R130 E144 A148	I115-V128 HydrophobicContact CG1-CG2 4.49Å; I115-V128 HydrophobicContact CG2-CG2 4.32Å; L126-V128 HydrophobicContact CB-CG2 4.13Å; L126-V128 HydrophobicContact CD2-CG2 3.8Å; L126-V128 HydrophobicContact CG-CG2 3.87Å; L126-V128 PolarHBondContact O-N 3.13Å; V128-R130 WeakPolarHBondContact O-CG 3.48Å; V128-R130 PolarHBondContact O-N 2.74Å; V128-E144 HydrophobicContact CG1-CB 3.79Å; V128-A148 HydrophobicContact CB-CB 4.42Å; V128-A148 HydrophobicContact CG2-CB 3.91Å
129	D	80.1	Confident	89.2	Confident	91 Å²	91	71.2 Å²	71.2	49%	0.487	37%	0.372	S	S	.	.			trans	-61.7	122.9	170.2	-171	-12.8	0	0	0	109.4	T131	D129-T131 WeakPolarHBondContact OD1-CB 3.16Å; D129-T131 WeakPolarHBondContact OD1-CG2 3.23Å; D129-T131 PolarHBondContact OD1-N 2.84Å; D129-T131 PolarHBondContact OD1-OG1 2.82Å; D129-T131 PolarHBondContact OD2-OG1 3.46Å
130	R	69.5	Low	89.4	Confident	116 Å²	116	70.3 Å²	70.3	44%	0.438	36%	0.36	S	S	.	.			trans	-102.6	8.6	-175.8	-65	174.7	-179.6	176.8	3.3	112.7	S117 V128 Q132	S117-R130 VanDerWaalsContact O-CD 3.23Å; S117-R130 WeakPolarHBondContact O-CD 3.41Å; S117-R130 PolarHBondContact O-NE 2.02Å; V128-R130 WeakPolarHBondContact O-CG 3.48Å; V128-R130 PolarHBondContact O-N 2.74Å; R130-Q132 PolarHBondContact O-N 3.27Å
131	T	67.6	Low	89.5	Confident	115 Å²	115	68.5 Å²	68.5	71%	0.706	35%	0.353	S	S	*	.	S	Bend	trans	-60	-28.4	175.8	50.8	0	0	0	0	112.2	D129	D129-T131 WeakPolarHBondContact OD1-CB 3.16Å; D129-T131 WeakPolarHBondContact OD1-CG2 3.23Å; D129-T131 PolarHBondContact OD1-N 2.84Å; D129-T131 PolarHBondContact OD1-OG1 2.82Å; D129-T131 PolarHBondContact OD2-OG1 3.46Å
132	Q	70.4	Confident	89.6	Confident	96 Å²	96	58.9 Å²	58.9	45%	0.449	31%	0.311	S	S	.	.	S	Bend	trans	-96.7	145.4	171.9	-62	-170.7	-11.6	0	0	111.5	R130 Y134	R130-Q132 PolarHBondContact O-N 3.27Å; Q132-Y134 PolarHBondContact O-N 2.81Å
133	N	84.9	Confident	89.7	Confident	154 Å²	154	54.4 Å²	54.4	82%	0.824	29%	0.287	S	S	*	.			trans	-62.1	106.8	172.1	-76.5	-23.7	0	0	0	109.5	V135	N133-V135 PolarHBondContact O-N 3.47Å
134	Y	92.1	Very high	89.8	Confident	38 Å²	38	55.5 Å²	55.5	15%	0.149	29%	0.292	C	S	.	.			trans	-62.7	125.2	172.3	164.9	-91	0	0	0	109.9	T89 E90 I115 Q132 K136 S141	T89-Y134 WeakPolarHBondContact O-CE1 3.47Å; T89-Y134 VanDerWaalsContact O-CZ 3.31Å; T89-Y134 PolarHBondContact O-OH 3.39Å; E90-Y134 HydrophobicContact CG-CE1 4.35Å; I115-Y134 HydrophobicContact CG2-CD2 4.15Å; I115-Y134 HydrophobicContact CG2-CE2 3.59Å; I115-Y134 PolarHBondContact O-OH 3.38Å; Q132-Y134 PolarHBondContact O-N 2.81Å; Y134-K136 HydrophobicContact CE1-CB 4.25Å; Y134-S141 WeakPolarHBondContact CA-OG 3.43Å
135	V	94.2	Very high	89.9	Confident	82 Å²	82	49.9 Å²	49.9	50%	0.497	27%	0.268	S	S	.	.			trans	-123.8	117.4	173.2	177.1	0	0	0	0	106.7	N133 H137 S138 S141	N133-V135 PolarHBondContact O-N 3.47Å; V135-H137 PolarHBondContact O-N 2.86Å; V135-S138 WeakPolarHBondContact O-CB 3.47Å; V135-S138 PolarHBondContact O-N 3.17Å; V135-S138 PolarHBondContact O-OG 3.42Å; V135-S141 PolarHBondContact N-OG 3.01Å; V135-S141 WeakPolarHBondContact O-CB 2.98Å; V135-S141 PolarHBondContact O-OG 3.42Å; V135-S141 VanDerWaalsContact O-OG 3.11Å
136	K	94.8	Very high	90	Very high	27 Å²	27	48 Å²	48	12%	0.117	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	137.3	178.2	-172.5	177.7	175.5	-176	0	109.4	L88 E90 Y134 S138 D164	L88-K136 HydrophobicContact CB-CG 4.25Å; E90-K136 HydrophobicContact CG-CB 3.86Å; E90-K136 HydrophobicContact CG-CD 3.93Å; E90-K136 HydrophobicContact CG-CG 4.49Å; E90-K136 WeakPolarHBondContact OE1-CB 3.34Å; Y134-K136 HydrophobicContact CE1-CB 4.25Å; K136-S138 PolarHBondContact O-N 2.92Å; K136-S138 VanDerWaalsContact O-N 3.13Å; K136-D164 IonicContact NZ-OD1 3.89Å; K136-D164 PolarHBondContact NZ-OD1 3.25Å; K136-D164 IonicContact NZ-OD2 2.65Å; K136-D164 PolarHBondContact NZ-OD2 2.85Å
137	H	95.5	Very high	90.1	Very high	66 Å²	66	50 Å²	50	31%	0.306	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	4.4	-177.5	-47.3	138.8	0	0	0	116.6	V135 D163 C235 E236	V135-H137 PolarHBondContact O-N 2.86Å; H137-D163 IonicContact CD2-OD1 3.71Å; H137-D163 IonicContact CD2-OD2 3.16Å; H137-D163 IonicContact CE1-OD2 2.74Å; H137-D163 PolarHBondContact CE1-OD2 3.4Å; H137-D163 IonicContact NE2-OD1 3.7Å; H137-D163 PolarHBondContact NE2-OD1 3.02Å; H137-D163 VanDerWaalsContact NE2-OD1 3.16Å; H137-D163 IonicContact NE2-OD2 3.79Å; H137-D163 PolarHBondContact NE2-OD2 2.94Å; H137-C235 CarbonylContact O-C 3.56Å; H137-C235 WeakPolarHBondContact O-CA 3.15Å; H137-E236 PolarHBondContact O-N 3.45Å
138	S	95.9	Very high	90.4	Very high	18 Å²	18	46.4 Å²	46.4	13%	0.126	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-79.2	144.2	173.3	71.3	0	0	0	0	111.8	V135 K136 I140 S141 M142	V135-S138 WeakPolarHBondContact O-CB 3.47Å; V135-S138 PolarHBondContact O-N 3.17Å; V135-S138 PolarHBondContact O-OG 3.42Å; K136-S138 PolarHBondContact O-N 2.92Å; K136-S138 VanDerWaalsContact O-N 3.13Å; S138-I140 VanDerWaalsContact C-N 3.3Å; S138-I140 PolarHBondContact O-N 3.19Å; S138-S141 PolarHBondContact O-N 2.93Å; S138-S141 VanDerWaalsContact OG-CB 3.24Å; S138-S141 WeakPolarHBondContact OG-CB 3.37Å; S138-S141 PolarHBondContact OG-N 3.03Å; S138-S141 PolarHBondContact OG-OG 3.03Å; S138-M142 PolarHBondContact O-N 3.29Å
139	W	96.8	Very high	90.8	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-40.3	173.9	176.2	-124	0	0	0	112.8	S141 M142 R143 L146 L222 C228 G229 V234 Q239 I240	W139-S141 VanDerWaalsContact C-N 3.31Å; W139-S141 PolarHBondContact O-N 3.05Å; W139-M142 HydrophobicContact CE3-CB 3.94Å; W139-M142 HydrophobicContact CE3-CG 4.12Å; W139-M142 HydrophobicContact CZ3-CB 4.28Å; W139-M142 HydrophobicContact CZ3-CG 3.99Å; W139-M142 CarbonylContact O-C 3.55Å; W139-M142 WeakPolarHBondContact O-CA 3.24Å; W139-M142 WeakPolarHBondContact O-CB 3.34Å; W139-M142 PolarHBondContact O-N 2.78Å; W139-R143 HydrophobicContact CD2-CG 3.93Å; W139-R143 HydrophobicContact CE3-CG 4.47Å; W139-R143 HydrophobicContact CG-CG 4.38Å; W139-R143 HydrophobicContact CH2-CG 4.26Å; W139-R143 HydrophobicContact CZ2-CG 3.71Å; W139-R143 WeakPolarHBondContact O-CG 2.97Å; W139-R143 PolarHBondContact O-N 3.14Å; W139-L146 HydrophobicContact CH2-CD1 4.22Å; W139-L146 HydrophobicContact CZ3-CD1 4.16Å; W139-L222 HydrophobicContact CH2-CD2 3.8Å; W139-L222 HydrophobicContact CZ2-CD2 3.64Å; W139-C228 WeakPolarHBondContact CZ2-O 3.32Å; W139-C228 PolarHBondContact NE1-O 3.5Å; W139-G229 PolarHBondContact NE1-O 2.76Å; W139-V234 HydrophobicContact CB-CG2 3.69Å; W139-V234 HydrophobicContact CG-CG2 4.32Å; W139-V234 PolarHBondContact N-O 2.86Å; W139-Q239 HydrophobicContact CB-CB 3.9Å; W139-Q239 HydrophobicContact CB-CG 4.14Å; W139-Q239 VanDerWaalsContact CD1-CG 3.43Å; W139-Q239 HydrophobicContact CD2-CB 3.7Å; W139-Q239 HydrophobicContact CD2-CG 3.54Å; W139-Q239 HydrophobicContact CE3-CB 4.04Å; W139-Q239 HydrophobicContact CE3-CG 4.29Å; W139-Q239 HydrophobicContact CG-CB 3.64Å; W139-Q239 HydrophobicContact CG-CG 3.44Å; W139-Q239 VanDerWaalsContact CG-CG 3.44Å; W139-Q239 HydrophobicContact CZ2-CG 4.36Å; W139-I240 HydrophobicContact CH2-CB 4.47Å; W139-I240 HydrophobicContact CH2-CG1 4.49Å; W139-I240 HydrophobicContact CZ3-CB 3.82Å; W139-I240 HydrophobicContact CZ3-CG1 4.12Å
140	I	95.4	Very high	91.7	Very high	30 Å²	30	44.6 Å²	44.6	15%	0.154	22%	0.22	C	C	.	.	H	α-helix	trans	-54.4	-48.1	176.9	-61.5	-58.2	0	0	0	111.2	S138 M142 R143 P230 Q232	S138-I140 VanDerWaalsContact C-N 3.3Å; S138-I140 PolarHBondContact O-N 3.19Å; I140-M142 VanDerWaalsContact C-N 3.34Å; I140-M142 PolarHBondContact O-N 2.94Å; I140-R143 PolarHBondContact O-N 3.18Å; I140-P230 HydrophobicContact CD1-CB 3.96Å; I140-P230 WeakPolarHBondContact CD1-O 3.21Å; I140-Q232 HydrophobicContact CD1-CG 4.39Å
141	S	95.4	Very high	92.9	Very high	10 Å²	10	46.7 Å²	46.7	7%	0.07	23%	0.232	C	C	.	.	H	α-helix	trans	-68.4	-34.1	176.8	-62.9	0	0	0	0	112.8	Y134 V135 S138 W139 T145	Y134-S141 WeakPolarHBondContact CA-OG 3.43Å; V135-S141 PolarHBondContact N-OG 3.01Å; V135-S141 WeakPolarHBondContact O-CB 2.98Å; V135-S141 PolarHBondContact O-OG 3.42Å; V135-S141 VanDerWaalsContact O-OG 3.11Å; S138-S141 PolarHBondContact O-N 2.93Å; S138-S141 VanDerWaalsContact OG-CB 3.24Å; S138-S141 WeakPolarHBondContact OG-CB 3.37Å; S138-S141 PolarHBondContact OG-N 3.03Å; S138-S141 PolarHBondContact OG-OG 3.03Å; W139-S141 VanDerWaalsContact C-N 3.31Å; W139-S141 PolarHBondContact O-N 3.05Å; S141-T145 WeakPolarHBondContact O-CB 3.23Å; S141-T145 PolarHBondContact O-N 2.88Å; S141-T145 PolarHBondContact O-OG1 2.77Å
142	M	97	Very high	94.2	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-67.3	-38.9	177.3	-173.8	55.1	73.9	0	0	111.8	Y86 L88 S138 W139 I140 E144 T145 L146 K161 E236	Y86-M142 HydrophobicContact CE2-CE 4.12Å; Y86-M142 HydrophobicContact CE2-SD 4.05Å; L88-M142 HydrophobicContact CD1-CE 3.95Å; L88-M142 HydrophobicContact CD2-CE 4.41Å; S138-M142 PolarHBondContact O-N 3.29Å; W139-M142 HydrophobicContact CE3-CB 3.94Å; W139-M142 HydrophobicContact CE3-CG 4.12Å; W139-M142 HydrophobicContact CZ3-CB 4.28Å; W139-M142 HydrophobicContact CZ3-CG 3.99Å; W139-M142 CarbonylContact O-C 3.55Å; W139-M142 WeakPolarHBondContact O-CA 3.24Å; W139-M142 WeakPolarHBondContact O-CB 3.34Å; W139-M142 PolarHBondContact O-N 2.78Å; I140-M142 VanDerWaalsContact C-N 3.34Å; I140-M142 PolarHBondContact O-N 2.94Å; M142-E144 VanDerWaalsContact C-N 3.34Å; M142-E144 PolarHBondContact O-N 3.07Å; M142-T145 CarbonylContact O-C 3.48Å; M142-T145 WeakPolarHBondContact O-CB 3.37Å; M142-T145 PolarHBondContact O-N 3.15Å; M142-T145 VanDerWaalsContact O-N 3.17Å; M142-T145 HydrophobicContact SD-CG2 4.24Å; M142-L146 HydrophobicContact CG-CD1 3.98Å; M142-L146 HydrophobicContact CG-CG 4.13Å; M142-L146 VanDerWaalsContact O-CG 3.24Å; M142-L146 WeakPolarHBondContact O-CG 2.99Å; M142-L146 PolarHBondContact O-N 3.1Å; M142-L146 HydrophobicContact SD-CD2 4.28Å; M142-L146 HydrophobicContact SD-CG 4.05Å; M142-K161 HydrophobicContact CE-CG 4.2Å; M142-E236 HydrophobicContact CB-CB 3.68Å; M142-E236 HydrophobicContact CE-CB 4.16Å; M142-E236 HydrophobicContact CE-CG 3.9Å; M142-E236 WeakPolarHBondContact CE-OE2 3.39Å; M142-E236 HydrophobicContact CG-CB 4.03Å
143	R	96.9	Very high	95.3	Very high	12 Å²	12	45.7 Å²	45.7	5%	0.045	23%	0.229	C	C	.	.	H	α-helix	trans	-54.2	-51	175.2	-69.3	173	52.7	104.1	-0.7	111.4	W139 I140 T145 L146 R147 L222 D223 C228 G229	W139-R143 HydrophobicContact CD2-CG 3.93Å; W139-R143 HydrophobicContact CE3-CG 4.47Å; W139-R143 HydrophobicContact CG-CG 4.38Å; W139-R143 HydrophobicContact CH2-CG 4.26Å; W139-R143 HydrophobicContact CZ2-CG 3.71Å; W139-R143 WeakPolarHBondContact O-CG 2.97Å; W139-R143 PolarHBondContact O-N 3.14Å; I140-R143 PolarHBondContact O-N 3.18Å; R143-T145 VanDerWaalsContact C-N 3.33Å; R143-T145 PolarHBondContact O-N 2.86Å; R143-L146 PolarHBondContact O-N 3.22Å; R143-R147 WeakPolarHBondContact O-CG 3.19Å; R143-R147 PolarHBondContact O-N 2.49Å; R143-L222 HydrophobicContact CB-CD1 4.21Å; R143-L222 HydrophobicContact CB-CD2 4.33Å; R143-L222 HydrophobicContact CG-CD2 3.83Å; R143-L222 PolarHBondContact NH1-O 3.06Å; R143-L222 PolarHBondContact NH2-O 3.27Å; R143-L222 VanDerWaalsContact NH2-O 3.15Å; R143-D223 IonicContact CZ-OD1 2.75Å; R143-D223 IonicContact NH2-OD1 3.76Å; R143-D223 PolarHBondContact NH2-OD1 3.14Å; R143-C228 PolarHBondContact NH1-O 3.19Å; R143-G229 VanDerWaalsContact NH1-CA 3.26Å; R143-G229 PolarHBondContact NH1-O 2.97Å
144	E	96	Very high	95.6	Very high	35 Å²	35	41.3 Å²	41.3	16%	0.164	20%	0.202	C	C	.	.	H	α-helix	trans	-68.2	-34.9	179.7	-61	-46	120.4	0	0	112.1	V128 M142 R147 A148	V128-E144 HydrophobicContact CG1-CB 3.79Å; M142-E144 VanDerWaalsContact C-N 3.34Å; M142-E144 PolarHBondContact O-N 3.07Å; E144-R147 PolarHBondContact O-N 2.9Å; E144-R147 IonicContact OE1-NE 2.94Å; E144-R147 PolarHBondContact OE1-NE 3.06Å; E144-R147 IonicContact OE2-NE 3.22Å; E144-A148 WeakPolarHBondContact O-CB 3.17Å; E144-A148 PolarHBondContact O-N 3.34Å
145	T	96.7	Very high	95.6	Very high	1 Å²	1	45 Å²	45	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-59.9	-47.9	171.5	-60.7	0	0	0	0	111.6	Y86 I115 L126 S141 M142 R143 R147 A148 L149	Y86-T145 HydrophobicContact CD2-CG2 4.03Å; Y86-T145 HydrophobicContact CE2-CG2 4.37Å; I115-T145 HydrophobicContact CD1-CG2 4.28Å; I115-T145 HydrophobicContact CG1-CG2 3.84Å; I115-T145 HydrophobicContact CG2-CG2 4.49Å; I115-T145 WeakPolarHBondContact CG2-OG1 3.38Å; L126-T145 HydrophobicContact CD2-CG2 4.38Å; S141-T145 WeakPolarHBondContact O-CB 3.23Å; S141-T145 PolarHBondContact O-N 2.88Å; S141-T145 PolarHBondContact O-OG1 2.77Å; M142-T145 CarbonylContact O-C 3.48Å; M142-T145 WeakPolarHBondContact O-CB 3.37Å; M142-T145 PolarHBondContact O-N 3.15Å; M142-T145 VanDerWaalsContact O-N 3.17Å; M142-T145 HydrophobicContact SD-CG2 4.24Å; R143-T145 VanDerWaalsContact C-N 3.33Å; R143-T145 PolarHBondContact O-N 2.86Å; T145-R147 PolarHBondContact O-N 3.43Å; T145-A148 PolarHBondContact O-N 3.14Å; T145-L149 HydrophobicContact CG2-CD1 3.96Å; T145-L149 HydrophobicContact CG2-CG 4.35Å; T145-L149 WeakPolarHBondContact O-CB 3.48Å; T145-L149 VanDerWaalsContact O-CG 3.27Å; T145-L149 WeakPolarHBondContact O-CG 3.09Å; T145-L149 PolarHBondContact O-N 2.73Å
146	L	97.8	Very high	95.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-39.8	179.8	-66.8	169.8	0	0	0	111.5	W139 M142 R143 L149 Y150 L209 L214 I217 V218 I240	W139-L146 HydrophobicContact CH2-CD1 4.22Å; W139-L146 HydrophobicContact CZ3-CD1 4.16Å; M142-L146 HydrophobicContact CG-CD1 3.98Å; M142-L146 HydrophobicContact CG-CG 4.13Å; M142-L146 VanDerWaalsContact O-CG 3.24Å; M142-L146 WeakPolarHBondContact O-CG 2.99Å; M142-L146 PolarHBondContact O-N 3.1Å; M142-L146 HydrophobicContact SD-CD2 4.28Å; M142-L146 HydrophobicContact SD-CG 4.05Å; R143-L146 PolarHBondContact O-N 3.22Å; L146-L149 PolarHBondContact O-N 3.44Å; L146-Y150 WeakPolarHBondContact O-CB 3.4Å; L146-Y150 PolarHBondContact O-N 2.92Å; L146-L209 HydrophobicContact CD2-CD1 3.78Å; L146-L214 HydrophobicContact CB-CD1 4.08Å; L146-L214 HydrophobicContact CD2-CD1 3.57Å; L146-L214 HydrophobicContact CG-CD1 4.42Å; L146-I217 HydrophobicContact CD1-CG2 3.87Å; L146-V218 HydrophobicContact CB-CG2 4.01Å; L146-I240 HydrophobicContact CD1-CD1 4.25Å
147	R	97	Very high	95.9	Very high	47 Å²	47	40.6 Å²	40.6	18%	0.177	20%	0.195	C	C	.	.	H	α-helix	trans	-61.1	-46.5	172.3	-67.7	-176.4	-160	-78.4	3.1	111.7	R143 E144 T145 L149 Y150 K151 L222 D223	R143-R147 WeakPolarHBondContact O-CG 3.19Å; R143-R147 PolarHBondContact O-N 2.49Å; E144-R147 PolarHBondContact O-N 2.9Å; E144-R147 IonicContact OE1-NE 2.94Å; E144-R147 PolarHBondContact OE1-NE 3.06Å; E144-R147 IonicContact OE2-NE 3.22Å; T145-R147 PolarHBondContact O-N 3.43Å; R147-L149 VanDerWaalsContact C-N 3.34Å; R147-L149 PolarHBondContact O-N 3.34Å; R147-Y150 PolarHBondContact O-N 3.08Å; R147-K151 WeakPolarHBondContact O-CB 3.46Å; R147-K151 VanDerWaalsContact O-CG 3.28Å; R147-K151 WeakPolarHBondContact O-CG 3.25Å; R147-K151 PolarHBondContact O-N 2.89Å; R147-L222 HydrophobicContact CG-CD1 3.82Å; R147-D223 IonicContact CZ-OD1 3.88Å; R147-D223 IonicContact CZ-OD2 3.74Å; R147-D223 IonicContact NH1-OD2 3.96Å; R147-D223 PolarHBondContact NH1-OD2 3.31Å; R147-D223 IonicContact NH2-OD1 3.07Å; R147-D223 PolarHBondContact NH2-OD1 2.98Å; R147-D223 IonicContact NH2-OD2 2.83Å; R147-D223 PolarHBondContact NH2-OD2 2.8Å
148	A	96.4	Very high	96	Very high	9 Å²	9	37.8 Å²	37.8	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-63.8	-39	179.4	0	0	0	0	0	112.2	L126 A127 V128 E144 T145 K151 Q152	L126-A148 HydrophobicContact CD2-CB 3.88Å; L126-A148 HydrophobicContact CG-CB 4.11Å; A127-A148 WeakPolarHBondContact O-CB 3.42Å; V128-A148 HydrophobicContact CB-CB 4.42Å; V128-A148 HydrophobicContact CG2-CB 3.91Å; E144-A148 WeakPolarHBondContact O-CB 3.17Å; E144-A148 PolarHBondContact O-N 3.34Å; T145-A148 PolarHBondContact O-N 3.14Å; A148-K151 PolarHBondContact O-N 2.85Å; A148-Q152 PolarHBondContact O-N 3.36Å
149	L	97.2	Very high	96.2	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-46.5	173.9	-71.4	170.8	0	0	0	111.7	Y84 Y86 L126 T145 L146 R147 K151 Q152 F159 L214	Y84-L149 HydrophobicContact CD1-CD2 3.94Å; Y84-L149 HydrophobicContact CE1-CD2 3.72Å; Y86-L149 HydrophobicContact CD1-CD1 3.61Å; Y86-L149 HydrophobicContact CD1-CD2 4.43Å; Y86-L149 HydrophobicContact CD2-CD1 3.86Å; Y86-L149 HydrophobicContact CE1-CD1 3.86Å; Y86-L149 HydrophobicContact CE2-CD1 4.08Å; Y86-L149 HydrophobicContact CG-CD1 3.59Å; Y86-L149 HydrophobicContact CG-CD2 4.28Å; L126-L149 HydrophobicContact CD1-CD2 4.41Å; L126-L149 HydrophobicContact CD2-CD2 3.78Å; L126-L149 HydrophobicContact CD2-CG 3.91Å; T145-L149 HydrophobicContact CG2-CD1 3.96Å; T145-L149 HydrophobicContact CG2-CG 4.35Å; T145-L149 WeakPolarHBondContact O-CB 3.48Å; T145-L149 VanDerWaalsContact O-CG 3.27Å; T145-L149 WeakPolarHBondContact O-CG 3.09Å; T145-L149 PolarHBondContact O-N 2.73Å; L146-L149 PolarHBondContact O-N 3.44Å; R147-L149 VanDerWaalsContact C-N 3.34Å; R147-L149 PolarHBondContact O-N 3.34Å; L149-K151 VanDerWaalsContact C-N 3.29Å; L149-K151 PolarHBondContact O-N 2.86Å; L149-Q152 VanDerWaalsContact O-CB 3.32Å; L149-Q152 WeakPolarHBondContact O-CB 3.49Å; L149-Q152 WeakPolarHBondContact O-CG 3.19Å; L149-Q152 PolarHBondContact O-N 3.5Å; L149-Q152 VanDerWaalsContact O-N 3.14Å; L149-F159 HydrophobicContact CD2-CD1 4.46Å; L149-L214 HydrophobicContact CB-CD2 4.17Å
150	Y	97.3	Very high	96.3	Very high	75 Å²	75	37.3 Å²	37.3	29%	0.294	18%	0.178	S	C	.	.	H	α-helix	trans	-62	-36.4	178.7	176	-105.6	0	0	0	112.7	L146 R147 Q152 K155 E215 V218 L219	L146-Y150 WeakPolarHBondContact O-CB 3.4Å; L146-Y150 PolarHBondContact O-N 2.92Å; R147-Y150 PolarHBondContact O-N 3.08Å; Y150-Q152 VanDerWaalsContact C-N 3.26Å; Y150-Q152 PolarHBondContact O-N 2.66Å; Y150-K155 PolarHBondContact O-NZ 2.81Å; Y150-E215 HydrophobicContact CD2-CG 4.24Å; Y150-E215 HydrophobicContact CE2-CG 3.93Å; Y150-V218 HydrophobicContact CD1-CB 4.5Å; Y150-V218 HydrophobicContact CD1-CG1 3.72Å; Y150-V218 HydrophobicContact CE1-CG1 4.41Å; Y150-V218 HydrophobicContact CG-CB 4.24Å; Y150-V218 HydrophobicContact CG-CG1 3.91Å; Y150-V218 HydrophobicContact CG-CG2 4.47Å; Y150-L219 HydrophobicContact CE1-CD2 3.81Å; Y150-L219 HydrophobicContact CE1-CG 4.41Å; Y150-L219 HydrophobicContact CE2-CD1 4.35Å; Y150-L219 HydrophobicContact CE2-CG 4.44Å
151	K	96.3	Very high	96.4	Very high	160 Å²	160	35.9 Å²	35.9	70%	0.696	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-11.9	176.9	-72.7	174.3	-178.2	-179.9	0	114.2	R147 A148 L149	R147-K151 WeakPolarHBondContact O-CB 3.46Å; R147-K151 VanDerWaalsContact O-CG 3.28Å; R147-K151 WeakPolarHBondContact O-CG 3.25Å; R147-K151 PolarHBondContact O-N 2.89Å; A148-K151 PolarHBondContact O-N 2.85Å; L149-K151 VanDerWaalsContact C-N 3.29Å; L149-K151 PolarHBondContact O-N 2.86Å
152	Q	95	Very high	96.5	Very high	53 Å²	53	35.4 Å²	35.4	25%	0.248	17%	0.167	C	C	.	.			trans	-59.5	142.2	176.8	-68.9	-62.9	-57.6	0	0	111.2	Y84 L126 A148 L149 Y150 Y154 K155	Y84-Q152 HydrophobicContact CE2-CG 4.36Å; L126-Q152 HydrophobicContact CD1-CG 4.14Å; A148-Q152 PolarHBondContact O-N 3.36Å; L149-Q152 VanDerWaalsContact O-CB 3.32Å; L149-Q152 WeakPolarHBondContact O-CB 3.49Å; L149-Q152 WeakPolarHBondContact O-CG 3.19Å; L149-Q152 PolarHBondContact O-N 3.5Å; L149-Q152 VanDerWaalsContact O-N 3.14Å; Y150-Q152 VanDerWaalsContact C-N 3.26Å; Y150-Q152 PolarHBondContact O-N 2.66Å; Q152-Y154 VanDerWaalsContact C-N 3.35Å; Q152-K155 PolarHBondContact O-NZ 3.12Å
153	T	92.2	Very high	96.5	Very high	136 Å²	136	35.4 Å²	35.4	83%	0.834	17%	0.167	S	C	*	.	S	Bend	trans	-67.6	-38.8	175.2	51.2	0	0	0	0	111.2	K155	T153-K155 PolarHBondContact O-N 3.49Å
154	Y	92.3	Very high	96.5	Very high	63 Å²	63	34.9 Å²	34.9	25%	0.247	17%	0.165	C	C	.	.	S	Bend	trans	-71.6	118.3	176.1	-179.6	-99.5	0	0	0	111.2	N82 Y84 T110 R111 Q152 A156	N82-Y154 WeakPolarHBondContact CB-OH 3.15Å; Y84-Y154 AromaticContact CD2-CD1 4Å; Y84-Y154 HydrophobicContact CD2-CD1 4Å; Y84-Y154 HydrophobicContact CD2-CE1 4.49Å; T110-Y154 WeakPolarHBondContact CG2-OH 3.5Å; R111-Y154 HydrophobicContact CB-CD1 4.35Å; R111-Y154 HydrophobicContact CB-CE1 4.28Å; R111-Y154 HydrophobicContact CG-CD1 3.81Å; R111-Y154 HydrophobicContact CG-CD2 4.47Å; R111-Y154 HydrophobicContact CG-CE1 3.78Å; R111-Y154 HydrophobicContact CG-CE2 4.48Å; R111-Y154 HydrophobicContact CG-CG 4.14Å; Q152-Y154 VanDerWaalsContact C-N 3.35Å; Y154-A156 HydrophobicContact CD1-CB 4.21Å; Y154-A156 HydrophobicContact CE1-CB 3.7Å
155	K	92	Very high	96.5	Very high	115 Å²	115	34.7 Å²	34.7	50%	0.5	17%	0.167	S	C	.	.			trans	-97.8	93.6	178.8	-57.5	-52	-174.3	-168.5	0	110.6	Y150 Q152 T153	Y150-K155 PolarHBondContact O-NZ 2.81Å; Q152-K155 PolarHBondContact O-NZ 3.12Å; T153-K155 PolarHBondContact O-N 3.49Å
156	A	96.6	Very high	96.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.			trans	-71.1	153.4	173.3	0	0	0	0	0	111.5	Y154 Y158 F159	Y154-A156 HydrophobicContact CD1-CB 4.21Å; Y154-A156 HydrophobicContact CE1-CB 3.7Å; A156-Y158 VanDerWaalsContact C-N 3.34Å; A156-Y158 WeakPolarHBondContact CB-O 3.15Å; A156-F159 HydrophobicContact CB-CE1 4.27Å; A156-F159 HydrophobicContact CB-CE2 4.3Å; A156-F159 HydrophobicContact CB-CZ 4.04Å
157	A	97.9	Very high	96.4	Very high	16 Å²	16	34.6 Å²	34.6	13%	0.132	17%	0.166	C	C	.	.	S	Bend	trans	-73.3	-32.9	171.4	0	0	0	0	0	111.2	N82 P182 R211	N82-A157 PolarHBondContact O-N 3.4Å; N82-A157 VanDerWaalsContact O-N 3.16Å; A157-P182 HydrophobicContact CB-CB 3.89Å; A157-P182 HydrophobicContact CB-CG 4.02Å; A157-P182 WeakPolarHBondContact O-CB 3.44Å; A157-R211 WeakPolarHBondContact O-CB 3.49Å; A157-R211 PolarHBondContact O-N 2.74Å
158	Y	98.7	Very high	96.4	Very high	8 Å²	8	32.4 Å²	32.4	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	150.9	-177.7	-53.2	-82.6	0	0	0	111.2	I81 N82 I83 Y84 A156 L177 T180 P182 F186 V208 L209	I81-Y158 HydrophobicContact CG2-CD2 3.82Å; I81-Y158 HydrophobicContact CG2-CE2 3.72Å; N82-Y158 PolarHBondContact O-N 3.07Å; I83-Y158 WeakPolarHBondContact CA-O 3.47Å; I83-Y158 HydrophobicContact CG1-CD2 4.44Å; Y84-Y158 PolarHBondContact N-O 2.82Å; A156-Y158 VanDerWaalsContact C-N 3.34Å; A156-Y158 WeakPolarHBondContact CB-O 3.15Å; Y158-L177 HydrophobicContact CD1-CD1 4.13Å; Y158-L177 HydrophobicContact CD1-CD2 3.97Å; Y158-L177 HydrophobicContact CD2-CD1 3.95Å; Y158-L177 HydrophobicContact CE1-CD1 4.49Å; Y158-L177 HydrophobicContact CE1-CD2 3.9Å; Y158-L177 HydrophobicContact CE2-CB 4.39Å; Y158-L177 HydrophobicContact CE2-CD1 4.34Å; Y158-L177 HydrophobicContact CG-CD1 3.83Å; Y158-T180 PolarHBondContact OH-O 2.96Å; Y158-T180 PolarHBondContact OH-OG1 3.06Å; Y158-P182 HydrophobicContact CD1-CB 4.48Å; Y158-P182 HydrophobicContact CE1-CB 3.87Å; Y158-P182 HydrophobicContact CE2-CB 4.23Å; Y158-P182 WeakPolarHBondContact OH-CD 3.06Å; Y158-F186 HydrophobicContact CD1-CZ 4.06Å; Y158-F186 HydrophobicContact CE1-CE1 4.04Å; Y158-F186 AromaticContact CE1-CZ 3.57Å; Y158-F186 HydrophobicContact CE1-CZ 3.57Å; Y158-V208 HydrophobicContact CD1-CG1 4.1Å; Y158-V208 HydrophobicContact CG-CG1 4.35Å; Y158-L209 CarbonylContact C-O 3.54Å; Y158-L209 WeakPolarHBondContact CA-O 3.29Å
159	F	98.7	Very high	96.5	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.035	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	115.2	177.8	-61.8	-98	0	0	0	108.9	Y84 Y86 L149 A156 V208 L209 R211 L214	Y84-F159 HydrophobicContact CG-CD1 4.27Å; Y84-F159 HydrophobicContact CG-CE1 4.4Å; Y84-F159 CarbonylContact O-C 3.56Å; Y84-F159 VanDerWaalsContact O-CA 3.29Å; Y84-F159 WeakPolarHBondContact O-CA 3.33Å; Y86-F159 HydrophobicContact CD1-CB 4.18Å; Y86-F159 HydrophobicContact CE1-CB 3.83Å; L149-F159 HydrophobicContact CD2-CD1 4.46Å; A156-F159 HydrophobicContact CB-CE1 4.27Å; A156-F159 HydrophobicContact CB-CE2 4.3Å; A156-F159 HydrophobicContact CB-CZ 4.04Å; F159-V208 CarbonylContact O-C 3.5Å; F159-V208 WeakPolarHBondContact O-CA 3.2Å; F159-L209 HydrophobicContact CB-CB 4.37Å; F159-L209 PolarHBondContact N-O 2.74Å; F159-L209 PolarHBondContact O-N 3.14Å; F159-R211 HydrophobicContact CE2-CB 4.4Å; F159-L214 HydrophobicContact CD1-CD2 3.89Å; F159-L214 HydrophobicContact CD2-CB 4.28Å; F159-L214 HydrophobicContact CD2-CD2 3.73Å; F159-L214 HydrophobicContact CE1-CD2 3.66Å; F159-L214 HydrophobicContact CE2-CB 4.44Å; F159-L214 HydrophobicContact CE2-CD2 3.52Å; F159-L214 HydrophobicContact CG-CD2 3.93Å; F159-L214 HydrophobicContact CZ-CD2 3.47Å; F159-L214 VanDerWaalsContact CZ-CD2 3.47Å
160	L	98.6	Very high	96.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	116.6	179.9	173.8	69.5	0	0	0	109.9	I83 Y84 C85 Y86 W105 V168 M170 L173 V208	I83-L160 HydrophobicContact CG2-CB 3.78Å; Y84-L160 PolarHBondContact O-N 3.23Å; C85-L160 CarbonylContact C-O 3.48Å; C85-L160 WeakPolarHBondContact CA-O 3.33Å; Y86-L160 VanDerWaalsContact CD1-O 3.23Å; Y86-L160 WeakPolarHBondContact CD1-O 3.41Å; Y86-L160 PolarHBondContact N-O 2.8Å; W105-L160 HydrophobicContact CZ3-CD2 4.23Å; L160-V168 HydrophobicContact CD2-CB 4.4Å; L160-V168 HydrophobicContact CD2-CG1 3.97Å; L160-V168 HydrophobicContact CD2-CG2 4.18Å; L160-M170 HydrophobicContact CD2-CE 4.46Å; L160-M170 HydrophobicContact CD2-SD 3.87Å; L160-L173 HydrophobicContact CD1-CD2 4.03Å; L160-L173 HydrophobicContact CD2-CD2 3.77Å; L160-L173 HydrophobicContact CG-CD2 4.33Å; L160-V208 HydrophobicContact CD1-CG2 3.68Å
161	K	98.3	Very high	96.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	135.1	165.9	-167.2	-101.7	169.2	164.7	0	109.8	Y86 M142 D163 G203 G206 Y207 E236	Y86-K161 HydrophobicContact CD2-CB 4.4Å; Y86-K161 HydrophobicContact CD2-CG 4.24Å; Y86-K161 HydrophobicContact CE1-CB 4.02Å; Y86-K161 HydrophobicContact CE2-CB 3.62Å; Y86-K161 HydrophobicContact CE2-CG 3.5Å; Y86-K161 VanDerWaalsContact CZ-CB 3.42Å; Y86-K161 WeakPolarHBondContact OH-CB 3.05Å; M142-K161 HydrophobicContact CE-CG 4.2Å; K161-D163 VanDerWaalsContact CE-OD1 3.24Å; K161-D163 WeakPolarHBondContact CE-OD1 3.33Å; K161-D163 IonicContact NZ-OD1 3.89Å; K161-D163 PolarHBondContact NZ-OD1 3.28Å; K161-D163 IonicContact NZ-OD2 3.33Å; K161-G203 PolarHBondContact NZ-O 2.84Å; K161-G206 WeakPolarHBondContact O-CA 3.24Å; K161-Y207 HydrophobicContact CB-CD1 4.17Å; K161-Y207 HydrophobicContact CB-CD2 3.98Å; K161-Y207 HydrophobicContact CB-CE1 3.97Å; K161-Y207 HydrophobicContact CB-CE2 3.73Å; K161-Y207 HydrophobicContact CB-CG 4.18Å; K161-Y207 HydrophobicContact CD-CD1 4.08Å; K161-Y207 HydrophobicContact CD-CE1 3.66Å; K161-Y207 HydrophobicContact CG-CD1 4.48Å; K161-Y207 HydrophobicContact CG-CE1 3.9Å; K161-Y207 HydrophobicContact CG-CE2 4.31Å; K161-Y207 PolarHBondContact N-O 3.01Å; K161-Y207 PolarHBondContact O-N 3.43Å; K161-E236 WeakPolarHBondContact CE-OE1 3.28Å; K161-E236 IonicContact NZ-OE1 3.72Å; K161-E236 PolarHBondContact NZ-OE1 3.03Å
162	A	97.8	Very high	96.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	171	169.5	0	0	0	0	0	111.1	Y86 I87 L88 W105 T166	Y86-A162 PolarHBondContact O-N 3.34Å; Y86-A162 VanDerWaalsContact O-N 3.14Å; I87-A162 CarbonylContact C-O 3.58Å; I87-A162 WeakPolarHBondContact CA-O 3.35Å; I87-A162 HydrophobicContact CG1-CB 4.26Å; L88-A162 PolarHBondContact N-O 2.59Å; W105-A162 HydrophobicContact CH2-CB 3.56Å; W105-A162 HydrophobicContact CZ2-CB 3.89Å; A162-T166 HydrophobicContact CB-CG2 4.27Å
163	D	96	Very high	96.5	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	165.7	173.5	-64.2	-19.9	0	0	0	111.5	H137 K161 T165 T166	H137-D163 IonicContact CD2-OD1 3.71Å; H137-D163 IonicContact CD2-OD2 3.16Å; H137-D163 IonicContact CE1-OD2 2.74Å; H137-D163 PolarHBondContact CE1-OD2 3.4Å; H137-D163 IonicContact NE2-OD1 3.7Å; H137-D163 PolarHBondContact NE2-OD1 3.02Å; H137-D163 VanDerWaalsContact NE2-OD1 3.16Å; H137-D163 IonicContact NE2-OD2 3.79Å; H137-D163 PolarHBondContact NE2-OD2 2.94Å; K161-D163 VanDerWaalsContact CE-OD1 3.24Å; K161-D163 WeakPolarHBondContact CE-OD1 3.33Å; K161-D163 IonicContact NZ-OD1 3.89Å; K161-D163 PolarHBondContact NZ-OD1 3.28Å; K161-D163 IonicContact NZ-OD2 3.33Å; D163-T165 PolarHBondContact O-N 2.79Å; D163-T166 PolarHBondContact N-OG1 3.02Å; D163-T166 WeakPolarHBondContact O-CB 3.34Å; D163-T166 PolarHBondContact O-N 3.48Å; D163-T166 PolarHBondContact O-OG1 3.01Å
164	D	96.8	Very high	96.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-0.6	170.9	62.3	11	0	0	0	115.5	L88 T89 S93 K97 A98 K136 M321	L88-D164 PolarHBondContact O-N 2.83Å; T89-D164 PolarHBondContact OG1-OD2 3.14Å; S93-D164 WeakPolarHBondContact CB-OD2 3.5Å; K97-D164 HydrophobicContact CB-CB 3.97Å; A98-D164 HydrophobicContact CB-CB 4.09Å; K136-D164 IonicContact NZ-OD1 3.89Å; K136-D164 PolarHBondContact NZ-OD1 3.25Å; K136-D164 IonicContact NZ-OD2 2.65Å; K136-D164 PolarHBondContact NZ-OD2 2.85Å; D164-M321 WeakPolarHBondContact O-CE 3.28Å
165	T	96.1	Very high	96.9	Very high	31 Å²	31	14.9 Å²	14.9	19%	0.19	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	10	173.9	61.7	0	0	0	0	112.9	K97 D163 G315 L316	K97-T165 HydrophobicContact CD-CG2 4.13Å; D163-T165 PolarHBondContact O-N 2.79Å; T165-G315 PolarHBondContact O-N 2.94Å; T165-L316 WeakPolarHBondContact CB-O 3.16Å; T165-L316 WeakPolarHBondContact O-CB 3.37Å; T165-L316 PolarHBondContact O-N 3.49Å
166	T	96.3	Very high	97	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.054	C	C	.	.			trans	-96.3	146.1	177.7	-47.8	0	0	0	0	109.9	W105 A162 D163 V168 S204 F313	W105-T166 PolarHBondContact NE1-O 3.04Å; A162-T166 HydrophobicContact CB-CG2 4.27Å; D163-T166 PolarHBondContact N-OG1 3.02Å; D163-T166 WeakPolarHBondContact O-CB 3.34Å; D163-T166 PolarHBondContact O-N 3.48Å; D163-T166 PolarHBondContact O-OG1 3.01Å; T166-V168 HydrophobicContact CG2-CG2 3.86Å; T166-S204 PolarHBondContact OG1-O 2.94Å; T166-F313 CarbonylContact C-O 3.46Å; T166-F313 VanDerWaalsContact CA-O 3.25Å; T166-F313 WeakPolarHBondContact CA-O 3.4Å; T166-F313 WeakPolarHBondContact CG2-O 3.31Å
167	Y	97	Very high	97	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.5	166.4	-174.2	-78.6	0	0	0	109.5	W105 I169 S312 F313 L316 M321 L324 E325 I328 Y329	W105-Y167 HydrophobicContact CB-CD2 4.05Å; W105-Y167 HydrophobicContact CB-CE1 4.31Å; W105-Y167 HydrophobicContact CB-CE2 3.82Å; W105-Y167 HydrophobicContact CB-CG 4.38Å; W105-Y167 AromaticContact CD1-CD2 3.46Å; W105-Y167 VanDerWaalsContact CD1-CD2 3.46Å; W105-Y167 AromaticContact CD1-CG 3.85Å; W105-Y167 HydrophobicContact CG-CD2 4.04Å; W105-Y167 HydrophobicContact CG-CE2 4.3Å; W105-Y167 HydrophobicContact CG-CG 4.26Å; Y167-I169 HydrophobicContact CE1-CG1 4.21Å; Y167-S312 CarbonylContact O-C 3.56Å; Y167-S312 VanDerWaalsContact O-CA 3.28Å; Y167-S312 WeakPolarHBondContact O-CA 3.27Å; Y167-F313 HydrophobicContact CD1-CD2 4.32Å; Y167-F313 PolarHBondContact N-O 3.28Å; Y167-F313 PolarHBondContact O-N 3.09Å; Y167-L316 HydrophobicContact CG-CD1 4.35Å; Y167-M321 HydrophobicContact CD2-CB 4.04Å; Y167-M321 HydrophobicContact CD2-CG 4.34Å; Y167-M321 WeakPolarHBondContact CE2-O 3.35Å; Y167-L324 HydrophobicContact CD1-CB 4.48Å; Y167-L324 HydrophobicContact CD1-CD1 4.2Å; Y167-L324 HydrophobicContact CD2-CB 4.46Å; Y167-L324 HydrophobicContact CE1-CB 4.33Å; Y167-L324 HydrophobicContact CE2-CB 4.31Å; Y167-L324 HydrophobicContact CG-CD1 4.05Å; Y167-E325 HydrophobicContact CE2-CB 4.37Å; Y167-E325 WeakPolarHBondContact OH-CA 3.15Å; Y167-E325 PolarHBondContact OH-OE2 2.94Å; Y167-I328 HydrophobicContact CE1-CD1 3.97Å; Y167-Y329 WeakPolarHBondContact OH-CE2 3.49Å
168	V	97.8	Very high	96.8	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.006	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.1	-174.5	-174.6	0	0	0	0	111.4	W105 L160 T166 M170 L173 I311	W105-V168 WeakPolarHBondContact CB-O 3.49Å; W105-V168 HydrophobicContact CD2-CB 4.09Å; W105-V168 HydrophobicContact CD2-CG2 4.37Å; W105-V168 HydrophobicContact CE3-CB 3.63Å; W105-V168 HydrophobicContact CE3-CG2 4.06Å; W105-V168 HydrophobicContact CH2-CB 4.38Å; W105-V168 HydrophobicContact CH2-CG2 3.9Å; W105-V168 HydrophobicContact CZ2-CG2 4.2Å; W105-V168 HydrophobicContact CZ3-CB 3.81Å; W105-V168 HydrophobicContact CZ3-CG2 3.82Å; L160-V168 HydrophobicContact CD2-CB 4.4Å; L160-V168 HydrophobicContact CD2-CG1 3.97Å; L160-V168 HydrophobicContact CD2-CG2 4.18Å; T166-V168 HydrophobicContact CG2-CG2 3.86Å; V168-M170 HydrophobicContact CB-SD 4.27Å; V168-M170 HydrophobicContact CG1-SD 3.74Å; V168-M170 PolarHBondContact O-N 3.34Å; V168-L173 HydrophobicContact CG1-CD2 4.38Å; V168-I311 CarbonylContact C-O 3.5Å; V168-I311 VanDerWaalsContact CA-O 3.26Å; V168-I311 WeakPolarHBondContact CA-O 3.2Å; V168-I311 HydrophobicContact CG1-CG2 3.93Å; V168-I311 WeakPolarHBondContact CG1-O 3.31Å
169	I	97.3	Very high	96.5	Very high	19 Å²	19	18.7 Å²	18.7	10%	0.097	9%	0.087	C	C	.	.			trans	-83.9	92.9	170	-53.6	-178.9	0	0	0	107.6	Y167 E171 N172 L173 I311 F313 I328	Y167-I169 HydrophobicContact CE1-CG1 4.21Å; I169-E171 HydrophobicContact CG2-CB 4.46Å; I169-E171 PolarHBondContact O-N 2.78Å; I169-N172 HydrophobicContact CB-CB 4.19Å; I169-N172 HydrophobicContact CG2-CB 3.99Å; I169-N172 PolarHBondContact O-N 3.2Å; I169-N172 VanDerWaalsContact O-N 3.14Å; I169-L173 PolarHBondContact O-N 3.25Å; I169-I311 PolarHBondContact N-O 3.13Å; I169-F313 HydrophobicContact CD1-CE2 4.15Å; I169-I328 HydrophobicContact CD1-CD1 3.77Å; I169-I328 HydrophobicContact CG1-CD1 4.12Å
170	M	97.9	Very high	96.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63	-27.7	-173	-68.6	-58.6	-58.4	0	0	113.2	I83 W105 R108 L160 V168 L173 R174	I83-M170 HydrophobicContact CB-CE 3.98Å; I83-M170 HydrophobicContact CD1-CE 3.59Å; I83-M170 HydrophobicContact CG1-CE 4.37Å; I83-M170 HydrophobicContact CG2-CE 3.95Å; W105-M170 HydrophobicContact CE3-SD 4.44Å; W105-M170 HydrophobicContact CZ3-SD 4.43Å; R108-M170 HydrophobicContact CB-CB 3.89Å; R108-M170 HydrophobicContact CB-CG 3.76Å; L160-M170 HydrophobicContact CD2-CE 4.46Å; L160-M170 HydrophobicContact CD2-SD 3.87Å; V168-M170 HydrophobicContact CB-SD 4.27Å; V168-M170 HydrophobicContact CG1-SD 3.74Å; V168-M170 PolarHBondContact O-N 3.34Å; M170-L173 HydrophobicContact CE-CD2 4.01Å; M170-L173 PolarHBondContact O-N 3Å; M170-L173 HydrophobicContact SD-CD2 4.16Å; M170-R174 VanDerWaalsContact O-CG 3.28Å; M170-R174 WeakPolarHBondContact O-CG 3.24Å; M170-R174 PolarHBondContact O-N 3.07Å
171	E	96.2	Very high	96.3	Very high	41 Å²	41	21.3 Å²	21.3	19%	0.192	10%	0.102	C	C	.	.	H	α-helix	trans	-64.4	-47.2	175.3	-67.7	80.2	172.1	0	0	110.5	A74 R108 I169 L173 R174 N175 Y329	A74-E171 HydrophobicContact CB-CG 3.91Å; R108-E171 IonicContact CZ-OE1 2.71Å; R108-E171 IonicContact NE-OE1 3.48Å; R108-E171 IonicContact NH1-OE1 3.96Å; R108-E171 PolarHBondContact NH1-OE1 3.31Å; I169-E171 HydrophobicContact CG2-CB 4.46Å; I169-E171 PolarHBondContact O-N 2.78Å; E171-L173 VanDerWaalsContact C-N 3.34Å; E171-L173 PolarHBondContact O-N 2.8Å; E171-R174 PolarHBondContact O-N 3.12Å; E171-N175 PolarHBondContact O-N 2.87Å; E171-Y329 PolarHBondContact OE2-OH 3.36Å
172	N	95.4	Very high	96.3	Very high	33 Å²	33	22.4 Å²	22.4	18%	0.176	11%	0.109	C	C	.	.	H	α-helix	trans	-66.4	-37.8	175.7	-68.4	-1.3	0	0	0	111.3	I169 N175 A176 L309 L310 I311	I169-N172 HydrophobicContact CB-CB 4.19Å; I169-N172 HydrophobicContact CG2-CB 3.99Å; I169-N172 PolarHBondContact O-N 3.2Å; I169-N172 VanDerWaalsContact O-N 3.14Å; N172-N175 PolarHBondContact O-N 3.24Å; N172-A176 PolarHBondContact O-N 2.97Å; N172-L309 PolarHBondContact ND2-O 3.38Å; N172-L310 PolarHBondContact ND2-O 3.42Å; N172-I311 HydrophobicContact CB-CG1 4.1Å
173	L	97.6	Very high	96.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.1	-44.5	175.7	176	54.7	0	0	0	111.8	I83 L160 V168 I169 M170 E171 N175 A176 L177 V208 F263 I311	I83-L173 HydrophobicContact CD1-CD2 3.86Å; I83-L173 HydrophobicContact CD1-CG 3.97Å; L160-L173 HydrophobicContact CD1-CD2 4.03Å; L160-L173 HydrophobicContact CD2-CD2 3.77Å; L160-L173 HydrophobicContact CG-CD2 4.33Å; V168-L173 HydrophobicContact CG1-CD2 4.38Å; I169-L173 PolarHBondContact O-N 3.25Å; M170-L173 HydrophobicContact CE-CD2 4.01Å; M170-L173 PolarHBondContact O-N 3Å; M170-L173 HydrophobicContact SD-CD2 4.16Å; E171-L173 VanDerWaalsContact C-N 3.34Å; E171-L173 PolarHBondContact O-N 2.8Å; L173-N175 VanDerWaalsContact C-N 3.32Å; L173-N175 PolarHBondContact O-N 3.03Å; L173-A176 WeakPolarHBondContact O-CB 3.43Å; L173-A176 PolarHBondContact O-N 3.05Å; L173-A176 VanDerWaalsContact O-N 3.15Å; L173-L177 HydrophobicContact CD1-CD1 3.88Å; L173-L177 HydrophobicContact CD1-CG 4.12Å; L173-L177 HydrophobicContact CG-CD1 4.03Å; L173-L177 WeakPolarHBondContact O-CG 3.42Å; L173-L177 PolarHBondContact O-N 3.46Å; L173-L177 VanDerWaalsContact O-N 3.08Å; L173-V208 HydrophobicContact CD1-CG2 3.72Å; L173-V208 HydrophobicContact CD2-CG2 4.21Å; L173-F263 HydrophobicContact CD1-CZ 4.24Å; L173-I311 HydrophobicContact CB-CG1 4.4Å; L173-I311 HydrophobicContact CB-CG2 3.86Å; L173-I311 HydrophobicContact CD1-CD1 4.25Å; L173-I311 HydrophobicContact CD1-CG2 4.18Å; L173-I311 HydrophobicContact CG-CG2 4.43Å
174	R	97.3	Very high	96.5	Very high	12 Å²	12	36.3 Å²	36.3	5%	0.045	17%	0.165	C	C	.	.	H	α-helix	trans	-65.4	-38.4	178	-72.1	177.4	-176.9	111.4	-4.9	111.9	L77 I81 I83 R108 M170 E171 A176 L177 E178	L77-R174 HydrophobicContact CB-CB 3.94Å; L77-R174 HydrophobicContact CD1-CB 4.12Å; I81-R174 HydrophobicContact CB-CB 4.43Å; I81-R174 HydrophobicContact CB-CG 4.1Å; I81-R174 HydrophobicContact CD1-CB 4.18Å; I81-R174 WeakPolarHBondContact CD1-O 3.14Å; I81-R174 HydrophobicContact CG2-CB 4.46Å; I81-R174 HydrophobicContact CG2-CG 4.04Å; I81-R174 PolarHBondContact O-NE 2.89Å; I83-R174 HydrophobicContact CD1-CG 3.74Å; R108-R174 PolarHBondContact O-NH1 3.11Å; R108-R174 PolarHBondContact O-NH2 2.89Å; M170-R174 VanDerWaalsContact O-CG 3.28Å; M170-R174 WeakPolarHBondContact O-CG 3.24Å; M170-R174 PolarHBondContact O-N 3.07Å; E171-R174 PolarHBondContact O-N 3.12Å; R174-A176 VanDerWaalsContact C-N 3.28Å; R174-A176 PolarHBondContact O-N 3.09Å; R174-L177 CarbonylContact O-C 3.57Å; R174-L177 PolarHBondContact O-N 3.28Å; R174-L177 VanDerWaalsContact O-N 3.13Å; R174-E178 PolarHBondContact O-N 3.06Å
175	N	94.3	Very high	96.5	Very high	25 Å²	25	38.1 Å²	38.1	13%	0.134	18%	0.176	C	C	.	.	H	α-helix	trans	-58.9	-41.8	171.8	172	-96	0	0	0	111.3	Y73 L77 E171 N172 L173 L177 E178 R262	Y73-N175 PolarHBondContact OH-ND2 3.42Å; L77-N175 HydrophobicContact CD1-CB 4.18Å; E171-N175 PolarHBondContact O-N 2.87Å; N172-N175 PolarHBondContact O-N 3.24Å; L173-N175 VanDerWaalsContact C-N 3.32Å; L173-N175 PolarHBondContact O-N 3.03Å; N175-L177 PolarHBondContact O-N 3.4Å; N175-E178 WeakPolarHBondContact O-CB 3.32Å; N175-E178 PolarHBondContact O-N 3.39Å; N175-R262 PolarHBondContact OD1-NH1 2.88Å
176	A	94.8	Very high	96.7	Very high	10 Å²	10	36.7 Å²	36.7	8%	0.083	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-30.9	175.2	0	0	0	0	0	114.5	N172 L173 R174 M188 R262 I311	N172-A176 PolarHBondContact O-N 2.97Å; L173-A176 WeakPolarHBondContact O-CB 3.43Å; L173-A176 PolarHBondContact O-N 3.05Å; L173-A176 VanDerWaalsContact O-N 3.15Å; R174-A176 VanDerWaalsContact C-N 3.28Å; R174-A176 PolarHBondContact O-N 3.09Å; A176-M188 HydrophobicContact CB-SD 4.24Å; A176-R262 VanDerWaalsContact CB-NH1 3.27Å; A176-R262 VanDerWaalsContact CB-NH2 3.31Å; A176-I311 HydrophobicContact CB-CD1 3.7Å
177	L	96.8	Very high	96.7	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-91.3	-8.2	-178.8	-65	171.7	0	0	0	113.5	I81 I83 Y158 L173 R174 N175 Y179 T180 F186 M188 V208	I81-L177 HydrophobicContact CD1-CB 4.44Å; I81-L177 HydrophobicContact CG2-CB 4.13Å; I81-L177 HydrophobicContact CG2-CD1 4.18Å; I83-L177 HydrophobicContact CD1-CD1 3.94Å; I83-L177 HydrophobicContact CG1-CD1 4.36Å; Y158-L177 HydrophobicContact CD1-CD1 4.13Å; Y158-L177 HydrophobicContact CD1-CD2 3.97Å; Y158-L177 HydrophobicContact CD2-CD1 3.95Å; Y158-L177 HydrophobicContact CE1-CD1 4.49Å; Y158-L177 HydrophobicContact CE1-CD2 3.9Å; Y158-L177 HydrophobicContact CE2-CB 4.39Å; Y158-L177 HydrophobicContact CE2-CD1 4.34Å; Y158-L177 HydrophobicContact CG-CD1 3.83Å; L173-L177 HydrophobicContact CD1-CD1 3.88Å; L173-L177 HydrophobicContact CD1-CG 4.12Å; L173-L177 HydrophobicContact CG-CD1 4.03Å; L173-L177 WeakPolarHBondContact O-CG 3.42Å; L173-L177 PolarHBondContact O-N 3.46Å; L173-L177 VanDerWaalsContact O-N 3.08Å; R174-L177 CarbonylContact O-C 3.57Å; R174-L177 PolarHBondContact O-N 3.28Å; R174-L177 VanDerWaalsContact O-N 3.13Å; N175-L177 PolarHBondContact O-N 3.4Å; L177-Y179 PolarHBondContact O-N 3.26Å; L177-Y179 VanDerWaalsContact O-N 3.13Å; L177-T180 HydrophobicContact CD2-CG2 4.36Å; L177-T180 WeakPolarHBondContact O-CB 3.24Å; L177-T180 PolarHBondContact O-N 3.16Å; L177-T180 PolarHBondContact O-OG1 3.22Å; L177-F186 HydrophobicContact CD2-CE2 4.15Å; L177-F186 HydrophobicContact CD2-CZ 4Å; L177-M188 HydrophobicContact CD2-CE 4.15Å; L177-M188 HydrophobicContact CD2-SD 4Å; L177-V208 HydrophobicContact CD1-CG1 4.38Å; L177-V208 HydrophobicContact CD2-CG1 4.29Å
178	E	94.2	Very high	96.7	Very high	24 Å²	24	37 Å²	37	11%	0.112	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-37.1	-169.3	-179.8	166	-156.3	0	0	114.2	Y73 L77 I81 R174 N175	Y73-E178 PolarHBondContact OH-OE2 3.19Å; L77-E178 HydrophobicContact CD2-CB 4.24Å; L77-E178 HydrophobicContact CD2-CG 4.05Å; I81-E178 HydrophobicContact CD1-CB 4.29Å; R174-E178 PolarHBondContact O-N 3.06Å; N175-E178 WeakPolarHBondContact O-CB 3.32Å; N175-E178 PolarHBondContact O-N 3.39Å
179	Y	92	Very high	96.5	Very high	184 Å²	184	36.9 Å²	36.9	72%	0.722	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.8	18.7	-179.1	-57.1	-75.1	0	0	0	112.8	L177	L177-Y179 PolarHBondContact O-N 3.26Å; L177-Y179 VanDerWaalsContact O-N 3.13Å
180	T	96	Very high	96.2	Very high	25 Å²	25	37.6 Å²	37.6	15%	0.153	17%	0.171	C	C	.	.			trans	-98.3	152.9	174.7	70.1	0	0	0	0	111	Y158 L177 F186 M188	Y158-T180 PolarHBondContact OH-O 2.96Å; Y158-T180 PolarHBondContact OH-OG1 3.06Å; L177-T180 HydrophobicContact CD2-CG2 4.36Å; L177-T180 WeakPolarHBondContact O-CB 3.24Å; L177-T180 PolarHBondContact O-N 3.16Å; L177-T180 PolarHBondContact O-OG1 3.22Å; T180-F186 HydrophobicContact CG2-CZ 4.1Å; T180-M188 HydrophobicContact CG2-CE 4.05Å
181	D	97.4	Very high	95.7	Very high	39 Å²	39	38.8 Å²	38.8	21%	0.209	18%	0.177	C	C	.	.			trans	-106	115.3	173.4	-172.6	-15.6	0	0	0	109.3	R183 K184	D181-R183 PolarHBondContact O-N 2.71Å; D181-R183 VanDerWaalsContact O-N 3.12Å; D181-R183 WeakPolarHBondContact OD1-CB 3.23Å; D181-R183 WeakPolarHBondContact OD1-CG 3.23Å; D181-R183 IonicContact OD1-CZ 3.79Å; D181-R183 PolarHBondContact OD1-N 3.07Å; D181-R183 IonicContact OD1-NE 3.19Å; D181-R183 PolarHBondContact OD1-NE 3.48Å; D181-R183 IonicContact OD1-NH2 3.75Å; D181-R183 IonicContact OD2-CZ 3.38Å; D181-R183 IonicContact OD2-NE 2.79Å; D181-R183 PolarHBondContact OD2-NE 3.46Å; D181-R183 IonicContact OD2-NH2 2.75Å; D181-R183 PolarHBondContact OD2-NH2 2.88Å; D181-K184 HydrophobicContact CB-CB 4.5Å; D181-K184 HydrophobicContact CB-CD 4.26Å; D181-K184 HydrophobicContact CB-CG 4.09Å; D181-K184 PolarHBondContact O-N 2.73Å
182	P	98	Very high	95.1	Very high	22 Å²	22	40.7 Å²	40.7	14%	0.143	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-9.6	-179.9	29.3	-35.1	0	0	0	113.5	A157 Y158 T212	A157-P182 HydrophobicContact CB-CB 3.89Å; A157-P182 HydrophobicContact CB-CG 4.02Å; A157-P182 WeakPolarHBondContact O-CB 3.44Å; Y158-P182 HydrophobicContact CD1-CB 4.48Å; Y158-P182 HydrophobicContact CE1-CB 3.87Å; Y158-P182 HydrophobicContact CE2-CB 4.23Å; Y158-P182 WeakPolarHBondContact OH-CD 3.06Å; P182-T212 PolarHBondContact O-N 2.9Å; P182-T212 PolarHBondContact O-OG1 3.4Å
183	R	98.1	Very high	94.6	Very high	173 Å²	173	45.1 Å²	45.1	65%	0.653	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-13.1	173.5	-56.5	171.2	-65.2	177.3	5.7	112.8	D181 T212	D181-R183 PolarHBondContact O-N 2.71Å; D181-R183 VanDerWaalsContact O-N 3.12Å; D181-R183 WeakPolarHBondContact OD1-CB 3.23Å; D181-R183 WeakPolarHBondContact OD1-CG 3.23Å; D181-R183 IonicContact OD1-CZ 3.79Å; D181-R183 PolarHBondContact OD1-N 3.07Å; D181-R183 IonicContact OD1-NE 3.19Å; D181-R183 PolarHBondContact OD1-NE 3.48Å; D181-R183 IonicContact OD1-NH2 3.75Å; D181-R183 IonicContact OD2-CZ 3.38Å; D181-R183 IonicContact OD2-NE 2.79Å; D181-R183 PolarHBondContact OD2-NE 3.46Å; D181-R183 IonicContact OD2-NH2 2.75Å; D181-R183 PolarHBondContact OD2-NH2 2.88Å; R183-T212 VanDerWaalsContact CA-OG1 3.28Å; R183-T212 WeakPolarHBondContact CA-OG1 3.39Å; R183-T212 WeakPolarHBondContact O-CB 3.5Å; R183-T212 PolarHBondContact O-OG1 2.9Å
184	K	98.5	Very high	93.9	Very high	123 Å²	123	48.1 Å²	48.1	54%	0.535	22%	0.216	S	C	.	.	S	Bend	trans	-91.5	132	172.4	-67.5	-173.9	178.5	-175	0	108.7	D181 F186 S210	D181-K184 HydrophobicContact CB-CB 4.5Å; D181-K184 HydrophobicContact CB-CD 4.26Å; D181-K184 HydrophobicContact CB-CG 4.09Å; D181-K184 PolarHBondContact O-N 2.73Å; K184-F186 VanDerWaalsContact O-CD1 3.31Å; K184-F186 WeakPolarHBondContact O-CD1 3.32Å; K184-F186 PolarHBondContact O-N 3.39Å; K184-S210 WeakPolarHBondContact O-CB 3.42Å; K184-S210 PolarHBondContact O-OG 3.16Å; K184-S210 VanDerWaalsContact O-OG 3.07Å
185	P	98.5	Very high	93.2	Very high	38 Å²	38	54.2 Å²	54.2	25%	0.247	24%	0.239	C	C	.	.			trans	-75.5	109.6	-178.2	30.6	-33.9	0	0	0	110.8	S210 T212 A213 L216 I249 E250	P185-S210 WeakPolarHBondContact CA-OG 3.42Å; P185-T212 HydrophobicContact CB-CG2 4.18Å; P185-A213 HydrophobicContact CB-CB 4.47Å; P185-L216 HydrophobicContact CB-CD1 3.54Å; P185-L216 HydrophobicContact CG-CD1 3.83Å; P185-I249 HydrophobicContact CB-CB 4.49Å; P185-I249 HydrophobicContact CB-CG1 4.15Å; P185-I249 HydrophobicContact CB-CG2 4.27Å; P185-E250 PolarHBondContact O-N 3.24Å
186	F	98.4	Very high	92.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	158.2	170.9	71.6	-94	0	0	0	113.5	Y158 L177 T180 K184 M188 S210 A213 E250 K252	Y158-F186 HydrophobicContact CD1-CZ 4.06Å; Y158-F186 HydrophobicContact CE1-CE1 4.04Å; Y158-F186 AromaticContact CE1-CZ 3.57Å; Y158-F186 HydrophobicContact CE1-CZ 3.57Å; L177-F186 HydrophobicContact CD2-CE2 4.15Å; L177-F186 HydrophobicContact CD2-CZ 4Å; T180-F186 HydrophobicContact CG2-CZ 4.1Å; K184-F186 VanDerWaalsContact O-CD1 3.31Å; K184-F186 WeakPolarHBondContact O-CD1 3.32Å; K184-F186 PolarHBondContact O-N 3.39Å; F186-M188 HydrophobicContact CD2-CB 4.04Å; F186-M188 HydrophobicContact CE2-CB 3.9Å; F186-M188 HydrophobicContact CE2-CE 4.3Å; F186-S210 PolarHBondContact N-OG 3.16Å; F186-S210 PolarHBondContact O-N 3.11Å; F186-S210 PolarHBondContact O-OG 3.41Å; F186-S210 VanDerWaalsContact O-OG 3.13Å; F186-A213 WeakPolarHBondContact O-CB 3.18Å; F186-E250 CarbonylContact C-O 3.55Å; F186-E250 WeakPolarHBondContact CA-O 3.35Å; F186-E250 HydrophobicContact CB-CB 4.23Å; F186-E250 WeakPolarHBondContact CB-O 3.2Å; F186-K252 HydrophobicContact CB-CD 4Å; F186-K252 HydrophobicContact CB-CG 4Å; F186-K252 HydrophobicContact CD1-CD 4.25Å; F186-K252 HydrophobicContact CD2-CB 4.32Å; F186-K252 HydrophobicContact CD2-CD 3.91Å; F186-K252 HydrophobicContact CD2-CG 4.24Å; F186-K252 HydrophobicContact CE2-CD 4.42Å; F186-K252 HydrophobicContact CG-CD 3.8Å; F186-K252 HydrophobicContact CG-CG 4.24Å
187	I	98	Very high	92.3	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.1	164.7	-54.3	-167.5	0	0	0	108.3	V201 Y207 V208 L209 I240 A244 I249 E250 F251 K252	I187-V201 HydrophobicContact CG2-CB 4.27Å; I187-V201 HydrophobicContact CG2-CG1 4.18Å; I187-V201 HydrophobicContact CG2-CG2 4.21Å; I187-Y207 HydrophobicContact CG2-CD2 4.18Å; I187-Y207 HydrophobicContact CG2-CG 4.48Å; I187-V208 CarbonylContact C-O 3.59Å; I187-V208 VanDerWaalsContact CA-O 3.27Å; I187-V208 WeakPolarHBondContact CA-O 3.31Å; I187-L209 HydrophobicContact CB-CD2 4.28Å; I187-L209 HydrophobicContact CD1-CD2 3.56Å; I187-L209 HydrophobicContact CG1-CD2 3.51Å; I187-L209 HydrophobicContact CG2-CD2 4.14Å; I187-I240 HydrophobicContact CD1-CG1 4.42Å; I187-A244 HydrophobicContact CD1-CB 3.67Å; I187-A244 HydrophobicContact CG1-CB 4.48Å; I187-I249 HydrophobicContact CG1-CG2 3.85Å; I187-E250 PolarHBondContact N-O 2.87Å; I187-F251 HydrophobicContact CB-CD1 3.99Å; I187-F251 HydrophobicContact CB-CE1 4.19Å; I187-F251 HydrophobicContact CD1-CE1 4.28Å; I187-F251 HydrophobicContact CG2-CD1 4.48Å; I187-F251 WeakPolarHBondContact O-CA 3.14Å; I187-K252 PolarHBondContact O-N 3.13Å
188	M	96.3	Very high	91.9	Very high	6 Å²	6	65.3 Å²	65.3	3%	0.03	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131.6	176.2	178.8	-174.5	-71.9	0	0	110.7	A176 L177 T180 F186 Y207 V208 K252 F263	A176-M188 HydrophobicContact CB-SD 4.24Å; L177-M188 HydrophobicContact CD2-CE 4.15Å; L177-M188 HydrophobicContact CD2-SD 4Å; T180-M188 HydrophobicContact CG2-CE 4.05Å; F186-M188 HydrophobicContact CD2-CB 4.04Å; F186-M188 HydrophobicContact CE2-CB 3.9Å; F186-M188 HydrophobicContact CE2-CE 4.3Å; M188-Y207 CarbonylContact O-C 3.58Å; M188-Y207 VanDerWaalsContact O-CA 3.29Å; M188-Y207 WeakPolarHBondContact O-CA 3.44Å; M188-Y207 WeakPolarHBondContact O-CB 3.26Å; M188-V208 HydrophobicContact CB-CB 4.34Å; M188-V208 PolarHBondContact N-O 3.5Å; M188-V208 PolarHBondContact O-N 3.41Å; M188-K252 VanDerWaalsContact CA-O 3.29Å; M188-K252 WeakPolarHBondContact CA-O 3.33Å; M188-K252 HydrophobicContact CB-CB 4.27Å; M188-K252 HydrophobicContact CE-CB 4.16Å; M188-F263 HydrophobicContact CG-CE2 4.02Å; M188-F263 HydrophobicContact SD-CE2 4.45Å
189	G	93.5	Very high	91.6	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	-161.2	-180	0	0	0	0	0	110.6	I191	G189-I191 PolarHBondContact O-N 2.88Å
190	H	90.1	Very high	91.6	Very high	33 Å²	33	59.9 Å²	59.9	15%	0.153	28%	0.282	C	S	.	.			trans	-79.3	108	165.8	179.2	59.6	0	0	0	109.1	V201 S202 F263 N265	H190-V201 CarbonylContact O-C 3.56Å; H190-V201 WeakPolarHBondContact O-CA 3.4Å; H190-S202 PolarHBondContact O-N 2.7Å; H190-F263 HydrophobicContact CB-CB 3.86Å; H190-N265 VanDerWaalsContact CE1-CB 3.41Å; H190-N265 WeakPolarHBondContact CE1-CB 2.99Å; H190-N265 VanDerWaalsContact NE2-CB 3.27Å; H190-N265 WeakPolarHBondContact NE2-CB 3.42Å
191	I	88.6	Confident	91.4	Very high	26 Å²	26	58.7 Å²	58.7	13%	0.133	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.2	179.1	-49.2	-59.1	0	0	0	108.9	G189 F199 T200 V201 F251	G189-I191 PolarHBondContact O-N 2.88Å; I191-F199 HydrophobicContact CG2-CB 3.97Å; I191-F199 HydrophobicContact CG2-CD1 4.32Å; I191-T200 WeakPolarHBondContact CA-O 3.33Å; I191-V201 HydrophobicContact CD1-CB 3.79Å; I191-V201 HydrophobicContact CD1-CG2 3.83Å; I191-F251 HydrophobicContact CD1-CB 4.06Å; I191-F251 HydrophobicContact CD1-CD1 3.83Å; I191-F251 HydrophobicContact CD1-CG 4.09Å; I191-F251 HydrophobicContact CG1-CB 4.18Å; I191-F251 HydrophobicContact CG2-CB 4.35Å; I191-F251 HydrophobicContact CG2-CG 4.44Å
192	Y	84.1	Confident	91	Very high	80 Å²	80	57.4 Å²	57.4	31%	0.314	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.3	177.6	67.4	-80.6	0	0	0	111.3	I194 F199 T200	Y192-I194 HydrophobicContact CD2-CG1 4.13Å; Y192-I194 HydrophobicContact CE2-CD1 4.09Å; Y192-I194 HydrophobicContact CE2-CG1 3.65Å; Y192-F199 CarbonylContact O-C 3.56Å; Y192-F199 WeakPolarHBondContact O-CA 3.45Å; Y192-T200 VanDerWaalsContact CD1-O 3.24Å; Y192-T200 WeakPolarHBondContact CD1-O 3.24Å; Y192-T200 HydrophobicContact CE1-CG2 3.97Å; Y192-T200 PolarHBondContact N-O 3.1Å; Y192-T200 PolarHBondContact O-N 2.81Å
193	K	84.6	Confident	90.5	Very high	127 Å²	127	56.5 Å²	56.5	55%	0.552	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	126	-179.3	-172.7	177.7	179	178.5	0	109.8	R195 F199	K193-R195 WeakPolarHBondContact CE-O 3.1Å; K193-R195 WeakPolarHBondContact CG-O 3.36Å; K193-F199 HydrophobicContact CB-CD1 4Å; K193-F199 HydrophobicContact CB-CE1 3.88Å; K193-F199 HydrophobicContact CD-CE1 4.35Å; K193-F199 HydrophobicContact CG-CD1 4.42Å; K193-F199 HydrophobicContact CG-CE1 4.11Å
194	I	82.8	Confident	89.8	Confident	63 Å²	63	51 Å²	51	32%	0.323	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-42	175.2	-54.8	-172.1	0	0	0	110.7	Y192 E198 T200 I238	Y192-I194 HydrophobicContact CD2-CG1 4.13Å; Y192-I194 HydrophobicContact CE2-CD1 4.09Å; Y192-I194 HydrophobicContact CE2-CG1 3.65Å; I194-E198 PolarHBondContact N-O 3.34Å; I194-T200 VanDerWaalsContact CD1-CB 3.46Å; I194-T200 HydrophobicContact CD1-CG2 3.95Å; I194-T200 WeakPolarHBondContact CD1-OG1 3.49Å; I194-I238 HydrophobicContact CD1-CG1 4.42Å
195	R	83.1	Confident	89.4	Confident	140 Å²	140	45.9 Å²	45.9	53%	0.528	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	168.2	177.9	-61.6	-171	-173.1	83.1	3.3	109.7	K193 N197 E198	K193-R195 WeakPolarHBondContact CE-O 3.1Å; K193-R195 WeakPolarHBondContact CG-O 3.36Å; R195-N197 PolarHBondContact O-N 3.27Å; R195-N197 VanDerWaalsContact O-N 3.14Å; R195-E198 HydrophobicContact CB-CB 3.99Å; R195-E198 WeakPolarHBondContact CD-OE2 3.47Å; R195-E198 IonicContact CZ-OE2 3.79Å; R195-E198 PolarHBondContact N-O 2.8Å; R195-E198 IonicContact NE-OE2 3.5Å; R195-E198 IonicContact NH1-OE1 2.76Å; R195-E198 PolarHBondContact NH1-OE1 2.68Å; R195-E198 IonicContact NH1-OE2 2.96Å; R195-E198 PolarHBondContact NH1-OE2 2.96Å; R195-E198 PolarHBondContact O-N 2.9Å
196	P	85.9	Confident	89.2	Confident	107 Å²	107	44.1 Å²	44.1	70%	0.695	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.2	123	166.6	-27.9	36.7	0	0	0	111	E198	P196-E198 PolarHBondContact O-N 3.22Å
197	N	83.8	Confident	89.1	Confident	125 Å²	125	44.1 Å²	44.1	67%	0.668	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	18.5	-180	-51.7	-24.2	0	0	0	116.3	R195 K245	R195-N197 PolarHBondContact O-N 3.27Å; R195-N197 VanDerWaalsContact O-N 3.14Å; N197-K245 PolarHBondContact O-NZ 3.38Å
198	E	87.7	Confident	89.1	Confident	36 Å²	36	44.1 Å²	44.1	17%	0.168	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	114.3	173.9	-165.4	179.4	-173.4	0	0	110	I194 R195 P196 K242	I194-E198 PolarHBondContact N-O 3.34Å; R195-E198 HydrophobicContact CB-CB 3.99Å; R195-E198 WeakPolarHBondContact CD-OE2 3.47Å; R195-E198 IonicContact CZ-OE2 3.79Å; R195-E198 PolarHBondContact N-O 2.8Å; R195-E198 IonicContact NE-OE2 3.5Å; R195-E198 IonicContact NH1-OE1 2.76Å; R195-E198 PolarHBondContact NH1-OE1 2.68Å; R195-E198 IonicContact NH1-OE2 2.96Å; R195-E198 PolarHBondContact NH1-OE2 2.96Å; R195-E198 PolarHBondContact O-N 2.9Å; P196-E198 PolarHBondContact O-N 3.22Å; E198-K242 VanDerWaalsContact OE1-CE 3.23Å; E198-K242 WeakPolarHBondContact OE1-CE 3.35Å
199	F	89.3	Confident	89.2	Confident	95 Å²	95	43.8 Å²	43.8	42%	0.417	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	152.2	-178.7	-62.9	-89.2	0	0	0	110.1	I191 Y192 K193 F251	I191-F199 HydrophobicContact CG2-CB 3.97Å; I191-F199 HydrophobicContact CG2-CD1 4.32Å; Y192-F199 CarbonylContact O-C 3.56Å; Y192-F199 WeakPolarHBondContact O-CA 3.45Å; K193-F199 HydrophobicContact CB-CD1 4Å; K193-F199 HydrophobicContact CB-CE1 3.88Å; K193-F199 HydrophobicContact CD-CE1 4.35Å; K193-F199 HydrophobicContact CG-CD1 4.42Å; K193-F199 HydrophobicContact CG-CE1 4.11Å; F199-F251 HydrophobicContact CB-CD2 4.22Å; F199-F251 HydrophobicContact CB-CE2 4.25Å
200	T	91	Very high	89.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	144.2	-179.7	-70.2	0	0	0	0	110.1	I191 Y192 I194 I238 S241	I191-T200 WeakPolarHBondContact CA-O 3.33Å; Y192-T200 VanDerWaalsContact CD1-O 3.24Å; Y192-T200 WeakPolarHBondContact CD1-O 3.24Å; Y192-T200 HydrophobicContact CE1-CG2 3.97Å; Y192-T200 PolarHBondContact N-O 3.1Å; Y192-T200 PolarHBondContact O-N 2.81Å; I194-T200 VanDerWaalsContact CD1-CB 3.46Å; I194-T200 HydrophobicContact CD1-CG2 3.95Å; I194-T200 WeakPolarHBondContact CD1-OG1 3.49Å; T200-I238 HydrophobicContact CG2-CG1 4.25Å; T200-S241 WeakPolarHBondContact CA-OG 3.42Å
201	V	92.4	Very high	89.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	141.8	170	70	0	0	0	0	109.9	I187 H190 I191 Y207 D237 I240 S241	I187-V201 HydrophobicContact CG2-CB 4.27Å; I187-V201 HydrophobicContact CG2-CG1 4.18Å; I187-V201 HydrophobicContact CG2-CG2 4.21Å; H190-V201 CarbonylContact O-C 3.56Å; H190-V201 WeakPolarHBondContact O-CA 3.4Å; I191-V201 HydrophobicContact CD1-CB 3.79Å; I191-V201 HydrophobicContact CD1-CG2 3.83Å; V201-Y207 HydrophobicContact CG1-CD1 3.84Å; V201-Y207 HydrophobicContact CG1-CE1 4.27Å; V201-Y207 HydrophobicContact CG1-CG 4.08Å; V201-Y207 VanDerWaalsContact CG2-CB 3.42Å; V201-Y207 HydrophobicContact CG2-CD1 4.17Å; V201-Y207 HydrophobicContact CG2-CG 4.01Å; V201-D237 WeakPolarHBondContact O-CB 3.5Å; V201-I240 HydrophobicContact CG1-CG2 4.3Å; V201-S241 PolarHBondContact N-OG 3.1Å; V201-S241 VanDerWaalsContact N-OG 3.08Å
202	S	89.2	Confident	90.3	Very high	12 Å²	12	46.2 Å²	46.2	8%	0.084	23%	0.225	C	C	.	.			trans	-73.8	128.5	175.1	-178.1	0	0	0	0	112.5	H190 F205	H190-S202 PolarHBondContact O-N 2.7Å; S202-F205 VanDerWaalsContact OG-CD2 3.27Å; S202-F205 WeakPolarHBondContact OG-CD2 3.42Å
203	G	87.3	Confident	91	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.021	21%	0.21	C	C	.	.	S	Bend	trans	-70.7	-44.5	173.5	0	0	0	0	0	114.1	K161 F205 G206 D237	K161-G203 PolarHBondContact NZ-O 2.84Å; G203-F205 VanDerWaalsContact C-N 3.31Å; G203-F205 PolarHBondContact O-N 2.77Å; G203-G206 PolarHBondContact O-N 3.06Å; G203-D237 WeakPolarHBondContact CA-OD2 3.37Å; G203-D237 PolarHBondContact N-OD2 3.46Å
204	S	83	Confident	91.7	Very high	59 Å²	59	36.5 Å²	36.5	41%	0.413	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-24.1	-167.6	-51.5	0	0	0	0	115.4	T166	T166-S204 PolarHBondContact OG1-O 2.94Å
205	F	89.1	Confident	92.4	Very high	15 Å²	15	36.7 Å²	36.7	7%	0.066	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	2	-178.6	-53.7	-69.2	0	0	0	112.8	S202 G203 S264 N265 V266 S312	S202-F205 VanDerWaalsContact OG-CD2 3.27Å; S202-F205 WeakPolarHBondContact OG-CD2 3.42Å; G203-F205 VanDerWaalsContact C-N 3.31Å; G203-F205 PolarHBondContact O-N 2.77Å; F205-S264 VanDerWaalsContact CB-O 3.23Å; F205-S264 WeakPolarHBondContact CB-O 3.35Å; F205-S264 WeakPolarHBondContact CD2-O 3.46Å; F205-S264 WeakPolarHBondContact CG-O 3.39Å; F205-N265 WeakPolarHBondContact CE2-O 3.35Å; F205-V266 VanDerWaalsContact CE1-C 3.4Å; F205-V266 WeakPolarHBondContact CE1-O 3.34Å; F205-V266 WeakPolarHBondContact CZ-O 3.33Å; F205-S312 WeakPolarHBondContact O-CB 3.39Å; F205-S312 PolarHBondContact O-OG 3.46Å
206	G	94.4	Very high	93.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.			trans	80.1	159.5	-176.8	0	0	0	0	0	113.6	K161 G203 F263	K161-G206 WeakPolarHBondContact O-CA 3.24Å; G203-G206 PolarHBondContact O-N 3.06Å; G206-F263 VanDerWaalsContact O-CD1 3.23Å; G206-F263 WeakPolarHBondContact O-CD1 3.38Å; G206-F263 WeakPolarHBondContact O-CE1 3.24Å
207	Y	96.8	Very high	93.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	161.4	176.5	60.6	-104.2	0	0	0	110.1	Y86 K161 I187 M188 V201 L209 E236 I240	Y86-Y207 WeakPolarHBondContact OH-CE2 3.16Å; K161-Y207 HydrophobicContact CB-CD1 4.17Å; K161-Y207 HydrophobicContact CB-CD2 3.98Å; K161-Y207 HydrophobicContact CB-CE1 3.97Å; K161-Y207 HydrophobicContact CB-CE2 3.73Å; K161-Y207 HydrophobicContact CB-CG 4.18Å; K161-Y207 HydrophobicContact CD-CD1 4.08Å; K161-Y207 HydrophobicContact CD-CE1 3.66Å; K161-Y207 HydrophobicContact CG-CD1 4.48Å; K161-Y207 HydrophobicContact CG-CE1 3.9Å; K161-Y207 HydrophobicContact CG-CE2 4.31Å; K161-Y207 PolarHBondContact N-O 3.01Å; K161-Y207 PolarHBondContact O-N 3.43Å; I187-Y207 HydrophobicContact CG2-CD2 4.18Å; I187-Y207 HydrophobicContact CG2-CG 4.48Å; M188-Y207 CarbonylContact O-C 3.58Å; M188-Y207 VanDerWaalsContact O-CA 3.29Å; M188-Y207 WeakPolarHBondContact O-CA 3.44Å; M188-Y207 WeakPolarHBondContact O-CB 3.26Å; V201-Y207 HydrophobicContact CG1-CD1 3.84Å; V201-Y207 HydrophobicContact CG1-CE1 4.27Å; V201-Y207 HydrophobicContact CG1-CG 4.08Å; V201-Y207 VanDerWaalsContact CG2-CB 3.42Å; V201-Y207 HydrophobicContact CG2-CD1 4.17Å; V201-Y207 HydrophobicContact CG2-CG 4.01Å; Y207-L209 HydrophobicContact CD2-CD2 4.06Å; Y207-L209 HydrophobicContact CD2-CG 4.33Å; Y207-L209 HydrophobicContact CE2-CD1 4.49Å; Y207-L209 HydrophobicContact CE2-CD2 3.93Å; Y207-L209 HydrophobicContact CE2-CG 4.1Å; Y207-E236 WeakPolarHBondContact CE1-OE2 3.39Å; Y207-E236 PolarHBondContact OH-OE2 3.45Å; Y207-I240 HydrophobicContact CE2-CD1 4.08Å
208	V	98.4	Very high	94.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.8	-175.1	-179.8	0	0	0	0	109.3	Y158 F159 L160 L173 L177 I187 M188 F263	Y158-V208 HydrophobicContact CD1-CG1 4.1Å; Y158-V208 HydrophobicContact CG-CG1 4.35Å; F159-V208 CarbonylContact O-C 3.5Å; F159-V208 WeakPolarHBondContact O-CA 3.2Å; L160-V208 HydrophobicContact CD1-CG2 3.68Å; L173-V208 HydrophobicContact CD1-CG2 3.72Å; L173-V208 HydrophobicContact CD2-CG2 4.21Å; L177-V208 HydrophobicContact CD1-CG1 4.38Å; L177-V208 HydrophobicContact CD2-CG1 4.29Å; I187-V208 CarbonylContact C-O 3.59Å; I187-V208 VanDerWaalsContact CA-O 3.27Å; I187-V208 WeakPolarHBondContact CA-O 3.31Å; M188-V208 HydrophobicContact CB-CB 4.34Å; M188-V208 PolarHBondContact N-O 3.5Å; M188-V208 PolarHBondContact O-N 3.41Å; V208-F263 HydrophobicContact CG2-CZ 4.09Å
209	L	98.6	Very high	95	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.2	164.8	-52.6	178.9	0	0	0	108.5	L146 Y158 F159 I187 Y207 A213 L214 I240	L146-L209 HydrophobicContact CD2-CD1 3.78Å; Y158-L209 CarbonylContact C-O 3.54Å; Y158-L209 WeakPolarHBondContact CA-O 3.29Å; F159-L209 HydrophobicContact CB-CB 4.37Å; F159-L209 PolarHBondContact N-O 2.74Å; F159-L209 PolarHBondContact O-N 3.14Å; I187-L209 HydrophobicContact CB-CD2 4.28Å; I187-L209 HydrophobicContact CD1-CD2 3.56Å; I187-L209 HydrophobicContact CG1-CD2 3.51Å; I187-L209 HydrophobicContact CG2-CD2 4.14Å; Y207-L209 HydrophobicContact CD2-CD2 4.06Å; Y207-L209 HydrophobicContact CD2-CG 4.33Å; Y207-L209 HydrophobicContact CE2-CD1 4.49Å; Y207-L209 HydrophobicContact CE2-CD2 3.93Å; Y207-L209 HydrophobicContact CE2-CG 4.1Å; L209-A213 HydrophobicContact CB-CB 4.42Å; L209-L214 HydrophobicContact CD1-CD1 4.5Å; L209-I240 HydrophobicContact CD1-CD1 4.26Å; L209-I240 HydrophobicContact CD2-CD1 4.22Å
210	S	98.6	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	154.3	157.5	60	0	0	0	0	110.3	K184 P185 F186 T212 A213 L214	K184-S210 WeakPolarHBondContact O-CB 3.42Å; K184-S210 PolarHBondContact O-OG 3.16Å; K184-S210 VanDerWaalsContact O-OG 3.07Å; P185-S210 WeakPolarHBondContact CA-OG 3.42Å; F186-S210 PolarHBondContact N-OG 3.16Å; F186-S210 PolarHBondContact O-N 3.11Å; F186-S210 PolarHBondContact O-OG 3.41Å; F186-S210 VanDerWaalsContact O-OG 3.13Å; S210-T212 VanDerWaalsContact C-N 3.28Å; S210-T212 PolarHBondContact O-N 3.05Å; S210-A213 WeakPolarHBondContact O-CB 3.46Å; S210-A213 PolarHBondContact O-N 2.73Å; S210-A213 VanDerWaalsContact O-N 3.11Å; S210-A213 WeakPolarHBondContact OG-CB 3.39Å; S210-A213 PolarHBondContact OG-N 2.57Å; S210-A213 VanDerWaalsContact OG-N 3.1Å; S210-L214 PolarHBondContact O-N 3.45Å; S210-L214 VanDerWaalsContact O-N 3.13Å
211	R	98.5	Very high	95.8	Very high	81 Å²	81	25 Å²	25	31%	0.306	13%	0.126	S	C	.	.	H	α-helix	trans	-51.2	-48.5	172.8	168	172.8	39.4	171.3	-8.9	112	A157 F159 A213 L214 E215	A157-R211 WeakPolarHBondContact O-CB 3.49Å; A157-R211 PolarHBondContact O-N 2.74Å; F159-R211 HydrophobicContact CE2-CB 4.4Å; R211-A213 VanDerWaalsContact C-N 3.31Å; R211-A213 PolarHBondContact O-N 3.47Å; R211-L214 PolarHBondContact O-N 2.9Å; R211-E215 HydrophobicContact CG-CG 4.41Å; R211-E215 VanDerWaalsContact CG-OE1 3.27Å; R211-E215 WeakPolarHBondContact CG-OE1 3.17Å; R211-E215 VanDerWaalsContact O-CG 3.32Å; R211-E215 WeakPolarHBondContact O-CG 3.22Å; R211-E215 PolarHBondContact O-N 3.13Å
212	T	98.4	Very high	96	Very high	28 Å²	28	25 Å²	25	17%	0.172	13%	0.126	C	C	.	.	H	α-helix	trans	-67.6	-30.2	-179.2	-59.1	0	0	0	0	112.7	P182 R183 P185 S210 E215 L216	P182-T212 PolarHBondContact O-N 2.9Å; P182-T212 PolarHBondContact O-OG1 3.4Å; R183-T212 VanDerWaalsContact CA-OG1 3.28Å; R183-T212 WeakPolarHBondContact CA-OG1 3.39Å; R183-T212 WeakPolarHBondContact O-CB 3.5Å; R183-T212 PolarHBondContact O-OG1 2.9Å; P185-T212 HydrophobicContact CB-CG2 4.18Å; S210-T212 VanDerWaalsContact C-N 3.28Å; S210-T212 PolarHBondContact O-N 3.05Å; T212-E215 PolarHBondContact O-N 3.11Å; T212-L216 HydrophobicContact CG2-CD1 4.28Å; T212-L216 HydrophobicContact CG2-CG 4.26Å; T212-L216 WeakPolarHBondContact O-CB 3.41Å; T212-L216 VanDerWaalsContact O-CG 3.3Å; T212-L216 WeakPolarHBondContact O-CG 3.45Å; T212-L216 PolarHBondContact O-N 2.92Å
213	A	98.7	Very high	96.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-46.6	171.2	0	0	0	0	0	111.9	P185 F186 L209 S210 R211 E215 L216 I217 I249	P185-A213 HydrophobicContact CB-CB 4.47Å; F186-A213 WeakPolarHBondContact O-CB 3.18Å; L209-A213 HydrophobicContact CB-CB 4.42Å; S210-A213 WeakPolarHBondContact O-CB 3.46Å; S210-A213 PolarHBondContact O-N 2.73Å; S210-A213 VanDerWaalsContact O-N 3.11Å; S210-A213 WeakPolarHBondContact OG-CB 3.39Å; S210-A213 PolarHBondContact OG-N 2.57Å; S210-A213 VanDerWaalsContact OG-N 3.1Å; R211-A213 VanDerWaalsContact C-N 3.31Å; R211-A213 PolarHBondContact O-N 3.47Å; A213-E215 VanDerWaalsContact C-N 3.35Å; A213-E215 PolarHBondContact O-N 3Å; A213-L216 PolarHBondContact O-N 3.29Å; A213-I217 WeakPolarHBondContact O-CB 3.38Å; A213-I217 WeakPolarHBondContact O-CD1 3.41Å; A213-I217 VanDerWaalsContact O-CG1 3.23Å; A213-I217 WeakPolarHBondContact O-CG1 3.36Å; A213-I217 PolarHBondContact O-N 3.37Å; A213-I249 HydrophobicContact CB-CD1 4.14Å; A213-I249 HydrophobicContact CB-CG2 3.89Å
214	L	98.6	Very high	96.8	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-58.9	-46.7	175.4	176.3	66	0	0	0	111.4	L146 L149 F159 L209 S210 R211 I217 V218	L146-L214 HydrophobicContact CB-CD1 4.08Å; L146-L214 HydrophobicContact CD2-CD1 3.57Å; L146-L214 HydrophobicContact CG-CD1 4.42Å; L149-L214 HydrophobicContact CB-CD2 4.17Å; F159-L214 HydrophobicContact CD1-CD2 3.89Å; F159-L214 HydrophobicContact CD2-CB 4.28Å; F159-L214 HydrophobicContact CD2-CD2 3.73Å; F159-L214 HydrophobicContact CE1-CD2 3.66Å; F159-L214 HydrophobicContact CE2-CB 4.44Å; F159-L214 HydrophobicContact CE2-CD2 3.52Å; F159-L214 HydrophobicContact CG-CD2 3.93Å; F159-L214 HydrophobicContact CZ-CD2 3.47Å; F159-L214 VanDerWaalsContact CZ-CD2 3.47Å; L209-L214 HydrophobicContact CD1-CD1 4.5Å; S210-L214 PolarHBondContact O-N 3.45Å; S210-L214 VanDerWaalsContact O-N 3.13Å; R211-L214 PolarHBondContact O-N 2.9Å; L214-I217 PolarHBondContact O-N 3.11Å; L214-V218 HydrophobicContact CD1-CG2 4.05Å; L214-V218 WeakPolarHBondContact O-CG2 3.23Å; L214-V218 PolarHBondContact O-N 2.68Å
215	E	98.4	Very high	97.5	Very high	68 Å²	68	36.2 Å²	36.2	32%	0.318	17%	0.173	S	C	.	.	H	α-helix	trans	-59.7	-47	178.9	-69.1	171.2	173.2	0	0	111.9	Y150 R211 T212 A213 V218 L219	Y150-E215 HydrophobicContact CD2-CG 4.24Å; Y150-E215 HydrophobicContact CE2-CG 3.93Å; R211-E215 HydrophobicContact CG-CG 4.41Å; R211-E215 VanDerWaalsContact CG-OE1 3.27Å; R211-E215 WeakPolarHBondContact CG-OE1 3.17Å; R211-E215 VanDerWaalsContact O-CG 3.32Å; R211-E215 WeakPolarHBondContact O-CG 3.22Å; R211-E215 PolarHBondContact O-N 3.13Å; T212-E215 PolarHBondContact O-N 3.11Å; A213-E215 VanDerWaalsContact C-N 3.35Å; A213-E215 PolarHBondContact O-N 3Å; E215-V218 PolarHBondContact O-N 3.04Å; E215-L219 VanDerWaalsContact O-CB 3.23Å; E215-L219 WeakPolarHBondContact O-CB 3.37Å; E215-L219 WeakPolarHBondContact O-CG 3.28Å; E215-L219 PolarHBondContact O-N 2.74Å
216	L	98.5	Very high	97.9	Very high	33 Å²	33	39.7 Å²	39.7	17%	0.173	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-46.1	177.7	-75	178.9	0	0	0	111.9	P185 T212 A213 V218 K220 G221 I249	P185-L216 HydrophobicContact CB-CD1 3.54Å; P185-L216 HydrophobicContact CG-CD1 3.83Å; T212-L216 HydrophobicContact CG2-CD1 4.28Å; T212-L216 HydrophobicContact CG2-CG 4.26Å; T212-L216 WeakPolarHBondContact O-CB 3.41Å; T212-L216 VanDerWaalsContact O-CG 3.3Å; T212-L216 WeakPolarHBondContact O-CG 3.45Å; T212-L216 PolarHBondContact O-N 2.92Å; A213-L216 PolarHBondContact O-N 3.29Å; L216-V218 VanDerWaalsContact C-N 3.33Å; L216-V218 PolarHBondContact O-N 3.11Å; L216-K220 HydrophobicContact CD2-CD 3.78Å; L216-K220 HydrophobicContact CD2-CG 4.42Å; L216-K220 CarbonylContact O-C 3.55Å; L216-K220 WeakPolarHBondContact O-CA 3.27Å; L216-K220 WeakPolarHBondContact O-CB 3.41Å; L216-K220 PolarHBondContact O-N 2.83Å; L216-G221 PolarHBondContact O-N 3.4Å; L216-G221 VanDerWaalsContact O-N 3.11Å; L216-I249 HydrophobicContact CB-CD1 4.32Å; L216-I249 HydrophobicContact CD1-CG1 4.36Å
217	I	98.7	Very high	98.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	I	π-helix	trans	-58.9	-47	179.3	-68.5	164.2	0	0	0	110.4	L146 A213 L214 G221 L222 I240 L247 I249	L146-I217 HydrophobicContact CD1-CG2 3.87Å; A213-I217 WeakPolarHBondContact O-CB 3.38Å; A213-I217 WeakPolarHBondContact O-CD1 3.41Å; A213-I217 VanDerWaalsContact O-CG1 3.23Å; A213-I217 WeakPolarHBondContact O-CG1 3.36Å; A213-I217 PolarHBondContact O-N 3.37Å; L214-I217 PolarHBondContact O-N 3.11Å; I217-G221 CarbonylContact O-C 3.48Å; I217-G221 WeakPolarHBondContact O-CA 3.47Å; I217-G221 PolarHBondContact O-N 3.42Å; I217-L222 HydrophobicContact CG2-CD2 3.95Å; I217-L222 HydrophobicContact CG2-CG 4.33Å; I217-L222 PolarHBondContact O-N 3.29Å; I217-I240 HydrophobicContact CD1-CD1 4.22Å; I217-I240 HydrophobicContact CD1-CG1 4.1Å; I217-L247 HydrophobicContact CB-CD1 4.37Å; I217-L247 HydrophobicContact CG1-CD1 3.94Å; I217-I249 HydrophobicContact CD1-CD1 3.96Å; I217-I249 HydrophobicContact CG1-CD1 3.6Å
218	V	98.4	Very high	98.1	Very high	17 Å²	17	43.3 Å²	43.3	10%	0.103	22%	0.224	C	C	.	.	I	π-helix	trans	-73.8	-46.4	-176.1	174.6	0	0	0	0	112.1	L146 Y150 L214 E215 L216 L222	L146-V218 HydrophobicContact CB-CG2 4.01Å; Y150-V218 HydrophobicContact CD1-CB 4.5Å; Y150-V218 HydrophobicContact CD1-CG1 3.72Å; Y150-V218 HydrophobicContact CE1-CG1 4.41Å; Y150-V218 HydrophobicContact CG-CB 4.24Å; Y150-V218 HydrophobicContact CG-CG1 3.91Å; Y150-V218 HydrophobicContact CG-CG2 4.47Å; L214-V218 HydrophobicContact CD1-CG2 4.05Å; L214-V218 WeakPolarHBondContact O-CG2 3.23Å; L214-V218 PolarHBondContact O-N 2.68Å; E215-V218 PolarHBondContact O-N 3.04Å; L216-V218 VanDerWaalsContact C-N 3.33Å; L216-V218 PolarHBondContact O-N 3.11Å; V218-L222 HydrophobicContact CG2-CD1 4.5Å
219	L	98.3	Very high	98.1	Very high	80 Å²	80	43.8 Å²	43.8	42%	0.419	23%	0.229	S	C	.	.	I	π-helix	trans	-84.4	-31.6	-171.7	-63.7	176.8	0	0	0	113.7	Y150 E215 K224	Y150-L219 HydrophobicContact CE1-CD2 3.81Å; Y150-L219 HydrophobicContact CE1-CG 4.41Å; Y150-L219 HydrophobicContact CE2-CD1 4.35Å; Y150-L219 HydrophobicContact CE2-CG 4.44Å; E215-L219 VanDerWaalsContact O-CB 3.23Å; E215-L219 WeakPolarHBondContact O-CB 3.37Å; E215-L219 WeakPolarHBondContact O-CG 3.28Å; E215-L219 PolarHBondContact O-N 2.74Å; L219-K224 WeakPolarHBondContact O-CD 3.32Å; L219-K224 WeakPolarHBondContact O-CE 3.45Å; L219-K224 PolarHBondContact O-NZ 3.33Å
220	K	98.3	Very high	97.9	Very high	127 Å²	127	47.9 Å²	47.9	55%	0.552	26%	0.256	S	S	*	.	I	π-helix	trans	-118.4	-12.6	-174.5	-58.1	-168.6	-174.6	178.4	0	113.4	L216 K224 V225 L247	L216-K220 HydrophobicContact CD2-CD 3.78Å; L216-K220 HydrophobicContact CD2-CG 4.42Å; L216-K220 CarbonylContact O-C 3.55Å; L216-K220 WeakPolarHBondContact O-CA 3.27Å; L216-K220 WeakPolarHBondContact O-CB 3.41Å; L216-K220 PolarHBondContact O-N 2.83Å; K220-K224 WeakPolarHBondContact O-CB 3.25Å; K220-V225 WeakPolarHBondContact O-CG2 3Å; K220-L247 HydrophobicContact CB-CD2 4.14Å
221	G	98.5	Very high	97.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	I	π-helix	trans	-98.3	-78.8	-177.8	0	0	0	0	0	114.2	L216 I217 D223 K224 V225 C228	L216-G221 PolarHBondContact O-N 3.4Å; L216-G221 VanDerWaalsContact O-N 3.11Å; I217-G221 CarbonylContact O-C 3.48Å; I217-G221 WeakPolarHBondContact O-CA 3.47Å; I217-G221 PolarHBondContact O-N 3.42Å; G221-D223 PolarHBondContact O-N 3.11Å; G221-K224 PolarHBondContact O-N 3.3Å; G221-V225 PolarHBondContact O-N 3.38Å; G221-C228 VanDerWaalsContact CA-SG 3.54Å; G221-C228 WeakPolarHBondContact O-CB 2.99Å
222	L	96.8	Very high	97.6	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.2	-37.8	-158.6	-64.9	-172.4	0	0	0	115.9	W139 R143 R147 I217 V218	W139-L222 HydrophobicContact CH2-CD2 3.8Å; W139-L222 HydrophobicContact CZ2-CD2 3.64Å; R143-L222 HydrophobicContact CB-CD1 4.21Å; R143-L222 HydrophobicContact CB-CD2 4.33Å; R143-L222 HydrophobicContact CG-CD2 3.83Å; R143-L222 PolarHBondContact NH1-O 3.06Å; R143-L222 PolarHBondContact NH2-O 3.27Å; R143-L222 VanDerWaalsContact NH2-O 3.15Å; R147-L222 HydrophobicContact CG-CD1 3.82Å; I217-L222 HydrophobicContact CG2-CD2 3.95Å; I217-L222 HydrophobicContact CG2-CG 4.33Å; I217-L222 PolarHBondContact O-N 3.29Å; V218-L222 HydrophobicContact CG2-CD1 4.5Å
223	D	96	Very high	97.4	Very high	107 Å²	107	61 Å²	61	57%	0.572	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	9.6	-176	-49.9	-49.5	0	0	0	113.5	R143 R147 G221	R143-D223 IonicContact CZ-OD1 2.75Å; R143-D223 IonicContact NH2-OD1 3.76Å; R143-D223 PolarHBondContact NH2-OD1 3.14Å; R147-D223 IonicContact CZ-OD1 3.88Å; R147-D223 IonicContact CZ-OD2 3.74Å; R147-D223 IonicContact NH1-OD2 3.96Å; R147-D223 PolarHBondContact NH1-OD2 3.31Å; R147-D223 IonicContact NH2-OD1 3.07Å; R147-D223 PolarHBondContact NH2-OD1 2.98Å; R147-D223 IonicContact NH2-OD2 2.83Å; R147-D223 PolarHBondContact NH2-OD2 2.8Å; G221-D223 PolarHBondContact O-N 3.11Å
224	K	98	Very high	97.2	Very high	161 Å²	161	63 Å²	63	70%	0.7	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.6	-17.4	-173	-63.4	177.9	-177.2	171.7	0	113.4	L219 K220 G221	L219-K224 WeakPolarHBondContact O-CD 3.32Å; L219-K224 WeakPolarHBondContact O-CE 3.45Å; L219-K224 PolarHBondContact O-NZ 3.33Å; K220-K224 WeakPolarHBondContact O-CB 3.25Å; G221-K224 PolarHBondContact O-N 3.3Å
225	V	97.9	Very high	97.1	Very high	39 Å²	39	66 Å²	66	24%	0.236	35%	0.352	C	S	.	.			trans	-123.7	128.1	179.7	173.9	0	0	0	0	108.8	K220 G221 D227 C228 G229 A246 L247	K220-V225 WeakPolarHBondContact O-CG2 3Å; G221-V225 PolarHBondContact O-N 3.38Å; V225-D227 VanDerWaalsContact C-N 3.31Å; V225-D227 HydrophobicContact CG1-CB 4.23Å; V225-D227 PolarHBondContact O-N 3.04Å; V225-C228 HydrophobicContact CB-CB 4.27Å; V225-C228 WeakPolarHBondContact O-CA 3.39Å; V225-C228 WeakPolarHBondContact O-CB 3.23Å; V225-C228 PolarHBondContact O-N 2.8Å; V225-G229 PolarHBondContact O-N 3.25Å; V225-A246 HydrophobicContact CG1-CB 3.7Å; V225-L247 HydrophobicContact CG2-CD2 3.96Å
226	A	97.9	Very high	97	Very high	88 Å²	88	62.8 Å²	62.8	73%	0.727	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-57	-42.2	-177.1	0	0	0	0	0	112.5	C228 G229	A226-C228 PolarHBondContact O-N 3.18Å; A226-C228 VanDerWaalsContact O-N 3.11Å; A226-G229 PolarHBondContact O-N 2.89Å
227	D	97.3	Very high	96.9	Very high	77 Å²	77	62.2 Å²	62.2	41%	0.412	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-67.1	-8.1	176.1	-71.9	-39.6	0	0	0	114.2	V225 Q239 K242 C243 A246	V225-D227 VanDerWaalsContact C-N 3.31Å; V225-D227 HydrophobicContact CG1-CB 4.23Å; V225-D227 PolarHBondContact O-N 3.04Å; D227-Q239 PolarHBondContact O-NE2 3Å; D227-K242 HydrophobicContact CB-CB 4.41Å; D227-C243 WeakPolarHBondContact O-CB 3.38Å; D227-A246 HydrophobicContact CB-CB 3.83Å
228	C	98.2	Very high	96.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-106.1	-4	172.5	-57.4	0	0	0	0	112	W139 R143 G221 V225 A226 C243	W139-C228 WeakPolarHBondContact CZ2-O 3.32Å; W139-C228 PolarHBondContact NE1-O 3.5Å; R143-C228 PolarHBondContact NH1-O 3.19Å; G221-C228 VanDerWaalsContact CA-SG 3.54Å; G221-C228 WeakPolarHBondContact O-CB 2.99Å; V225-C228 HydrophobicContact CB-CB 4.27Å; V225-C228 WeakPolarHBondContact O-CA 3.39Å; V225-C228 WeakPolarHBondContact O-CB 3.23Å; V225-C228 PolarHBondContact O-N 2.8Å; A226-C228 PolarHBondContact O-N 3.18Å; A226-C228 VanDerWaalsContact O-N 3.11Å; C228-C243 HydrophobicContact CB-CB 3.9Å; C228-C243 WeakPolarHBondContact CB-SG 3.41Å; C228-C243 WeakPolarHBondContact SG-CA 3.27Å; C228-C243 WeakPolarHBondContact SG-CB 3.46Å; C228-C243 CovalentContact SG-SG 2.03Å; C228-C243 PolarHBondContact SG-SG 2.96Å
229	G	96.5	Very high	96.7	Very high	10 Å²	10	64.3 Å²	64.3	10%	0.103	34%	0.344	C	S	.	.	S	Bend	trans	-60.3	170.5	-172.2	0	0	0	0	0	114.7	W139 R143 V225 A226 I231	W139-G229 PolarHBondContact NE1-O 2.76Å; R143-G229 VanDerWaalsContact NH1-CA 3.26Å; R143-G229 PolarHBondContact NH1-O 2.97Å; V225-G229 PolarHBondContact O-N 3.25Å; A226-G229 PolarHBondContact O-N 2.89Å; G229-I231 PolarHBondContact O-N 3.44Å
230	P	95.9	Very high	96.7	Very high	85 Å²	85	60.5 Å²	60.5	55%	0.552	32%	0.324	S	S	*	.			trans	-77.5	59.7	-175.2	32.9	-36.2	0	0	0	111.6	I140 Q232	I140-P230 HydrophobicContact CD1-CB 3.96Å; I140-P230 WeakPolarHBondContact CD1-O 3.21Å; P230-Q232 PolarHBondContact O-N 2.69Å
231	I	95.8	Very high	96.6	Very high	67 Å²	67	54.6 Å²	54.6	34%	0.344	30%	0.299	S	S	.	.			trans	-69.9	124.2	-179.8	-54.2	-176.8	0	0	0	108.7	G229 V234	G229-I231 PolarHBondContact O-N 3.44Å; I231-V234 HydrophobicContact CB-CG2 3.98Å; I231-V234 HydrophobicContact CG2-CG1 3.83Å; I231-V234 HydrophobicContact CG2-CG2 3.82Å; I231-V234 WeakPolarHBondContact O-CG2 3.46Å
232	Q	94.1	Very high	96.5	Very high	132 Å²	132	58.1 Å²	58.1	62%	0.617	31%	0.314	S	S	*	.	S	Bend	trans	-82.7	158.9	-179.6	-62.5	-174.6	-3.9	0	0	111.4	I140 P230 V234	I140-Q232 HydrophobicContact CD1-CG 4.39Å; P230-Q232 PolarHBondContact O-N 2.69Å; Q232-V234 PolarHBondContact O-N 3.32Å; Q232-V234 VanDerWaalsContact O-N 3.1Å
233	H	94.2	Very high	96.6	Very high	186 Å²	186	58 Å²	58	86%	0.861	31%	0.314	S	S	*	.	S	Bend	trans	56.8	25.7	173	-49.3	-64.8	0	0	0	115.9
234	V	95.9	Very high	96.7	Very high	43 Å²	43	53 Å²	53	26%	0.261	29%	0.286	S	S	.	.			trans	-115.9	144.5	174.2	-64	0	0	0	0	111.4	W139 I231 Q232 Q239	W139-V234 HydrophobicContact CB-CG2 3.69Å; W139-V234 HydrophobicContact CG-CG2 4.32Å; W139-V234 PolarHBondContact N-O 2.86Å; I231-V234 HydrophobicContact CB-CG2 3.98Å; I231-V234 HydrophobicContact CG2-CG1 3.83Å; I231-V234 HydrophobicContact CG2-CG2 3.82Å; I231-V234 WeakPolarHBondContact O-CG2 3.46Å; Q232-V234 PolarHBondContact O-N 3.32Å; Q232-V234 VanDerWaalsContact O-N 3.1Å; V234-Q239 HydrophobicContact CG2-CB 4.01Å; V234-Q239 HydrophobicContact CG2-CG 4.11Å
235	C	95.8	Very high	96.6	Very high	64 Å²	64	51.5 Å²	51.5	43%	0.432	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-67.2	141.5	174.6	-61.3	0	0	0	0	110.8	H137 D237 I238 Q239	H137-C235 CarbonylContact O-C 3.56Å; H137-C235 WeakPolarHBondContact O-CA 3.15Å; C235-D237 VanDerWaalsContact C-N 3.28Å; C235-D237 WeakPolarHBondContact CB-OD1 3.34Å; C235-D237 PolarHBondContact O-N 2.9Å; C235-I238 HydrophobicContact CB-CD1 4.27Å; C235-I238 HydrophobicContact CB-CG1 4.44Å; C235-I238 PolarHBondContact O-N 3.41Å; C235-Q239 PolarHBondContact O-N 3.34Å; C235-Q239 VanDerWaalsContact O-N 3.12Å
236	E	96.9	Very high	96.6	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-36.7	-176.5	62.4	88.9	179.4	0	0	113.3	H137 M142 K161 Y207 Q239 I240	H137-E236 PolarHBondContact O-N 3.45Å; M142-E236 HydrophobicContact CB-CB 3.68Å; M142-E236 HydrophobicContact CE-CB 4.16Å; M142-E236 HydrophobicContact CE-CG 3.9Å; M142-E236 WeakPolarHBondContact CE-OE2 3.39Å; M142-E236 HydrophobicContact CG-CB 4.03Å; K161-E236 WeakPolarHBondContact CE-OE1 3.28Å; K161-E236 IonicContact NZ-OE1 3.72Å; K161-E236 PolarHBondContact NZ-OE1 3.03Å; Y207-E236 WeakPolarHBondContact CE1-OE2 3.39Å; Y207-E236 PolarHBondContact OH-OE2 3.45Å; E236-Q239 PolarHBondContact O-N 3.37Å; E236-I240 VanDerWaalsContact O-CB 3.23Å; E236-I240 WeakPolarHBondContact O-CB 3.16Å; E236-I240 WeakPolarHBondContact O-CG2 3.3Å; E236-I240 PolarHBondContact O-N 3Å
237	D	95.6	Very high	96.7	Very high	22 Å²	22	49.3 Å²	49.3	12%	0.118	26%	0.261	C	S	.	.	H	α-helix	trans	-73.5	-39.2	-174.7	61.1	-15.9	0	0	0	112.3	V201 G203 C235 I240 S241	V201-D237 WeakPolarHBondContact O-CB 3.5Å; G203-D237 WeakPolarHBondContact CA-OD2 3.37Å; G203-D237 PolarHBondContact N-OD2 3.46Å; C235-D237 VanDerWaalsContact C-N 3.28Å; C235-D237 WeakPolarHBondContact CB-OD1 3.34Å; C235-D237 PolarHBondContact O-N 2.9Å; D237-I240 WeakPolarHBondContact O-CG2 3.39Å; D237-S241 WeakPolarHBondContact O-CB 3.25Å; D237-S241 PolarHBondContact O-N 2.79Å; D237-S241 PolarHBondContact O-OG 3.34Å
238	I	95.2	Very high	96.7	Very high	56 Å²	56	48.6 Å²	48.6	29%	0.287	27%	0.272	S	S	.	.	H	α-helix	trans	-63	-49.5	169.9	-62.7	174	0	0	0	110.1	I194 T200 C235 S241 K242	I194-I238 HydrophobicContact CD1-CG1 4.42Å; T200-I238 HydrophobicContact CG2-CG1 4.25Å; C235-I238 HydrophobicContact CB-CD1 4.27Å; C235-I238 HydrophobicContact CB-CG1 4.44Å; C235-I238 PolarHBondContact O-N 3.41Å; I238-S241 WeakPolarHBondContact O-CB 3.44Å; I238-S241 PolarHBondContact O-N 2.87Å; I238-K242 PolarHBondContact O-N 2.91Å; I238-K242 VanDerWaalsContact O-N 3.16Å
239	Q	97.2	Very high	96.7	Very high	4 Å²	4	49 Å²	49	2%	0.019	27%	0.274	C	S	.	.	H	α-helix	trans	-74.3	-38.3	-171.5	-163.9	58.3	48.7	0	0	112.8	W139 D227 V234 C235 E236 S241 K242 C243	W139-Q239 HydrophobicContact CB-CB 3.9Å; W139-Q239 HydrophobicContact CB-CG 4.14Å; W139-Q239 VanDerWaalsContact CD1-CG 3.43Å; W139-Q239 HydrophobicContact CD2-CB 3.7Å; W139-Q239 HydrophobicContact CD2-CG 3.54Å; W139-Q239 HydrophobicContact CE3-CB 4.04Å; W139-Q239 HydrophobicContact CE3-CG 4.29Å; W139-Q239 HydrophobicContact CG-CB 3.64Å; W139-Q239 HydrophobicContact CG-CG 3.44Å; W139-Q239 VanDerWaalsContact CG-CG 3.44Å; W139-Q239 HydrophobicContact CZ2-CG 4.36Å; D227-Q239 PolarHBondContact O-NE2 3Å; V234-Q239 HydrophobicContact CG2-CB 4.01Å; V234-Q239 HydrophobicContact CG2-CG 4.11Å; C235-Q239 PolarHBondContact O-N 3.34Å; C235-Q239 VanDerWaalsContact O-N 3.12Å; E236-Q239 PolarHBondContact O-N 3.37Å; Q239-S241 PolarHBondContact O-N 3.29Å; Q239-K242 PolarHBondContact O-N 3.42Å; Q239-C243 WeakPolarHBondContact O-CB 3.39Å; Q239-C243 PolarHBondContact O-N 3.37Å
240	I	98.2	Very high	96.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-32.9	173.4	-159.5	173	0	0	0	110.8	W139 L146 I187 V201 Y207 L209 I217 E236 D237 C243 A244	W139-I240 HydrophobicContact CH2-CB 4.47Å; W139-I240 HydrophobicContact CH2-CG1 4.49Å; W139-I240 HydrophobicContact CZ3-CB 3.82Å; W139-I240 HydrophobicContact CZ3-CG1 4.12Å; L146-I240 HydrophobicContact CD1-CD1 4.25Å; I187-I240 HydrophobicContact CD1-CG1 4.42Å; V201-I240 HydrophobicContact CG1-CG2 4.3Å; Y207-I240 HydrophobicContact CE2-CD1 4.08Å; L209-I240 HydrophobicContact CD1-CD1 4.26Å; L209-I240 HydrophobicContact CD2-CD1 4.22Å; I217-I240 HydrophobicContact CD1-CD1 4.22Å; I217-I240 HydrophobicContact CD1-CG1 4.1Å; E236-I240 VanDerWaalsContact O-CB 3.23Å; E236-I240 WeakPolarHBondContact O-CB 3.16Å; E236-I240 WeakPolarHBondContact O-CG2 3.3Å; E236-I240 PolarHBondContact O-N 3Å; D237-I240 WeakPolarHBondContact O-CG2 3.39Å; I240-C243 PolarHBondContact O-N 3.29Å; I240-A244 WeakPolarHBondContact O-CB 3.44Å; I240-A244 PolarHBondContact O-N 3.33Å
241	S	97.4	Very high	96.6	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-67.1	-41.7	176.8	-62.6	0	0	0	0	112.3	T200 V201 D237 I238 Q239 A244 K245	T200-S241 WeakPolarHBondContact CA-OG 3.42Å; V201-S241 PolarHBondContact N-OG 3.1Å; V201-S241 VanDerWaalsContact N-OG 3.08Å; D237-S241 WeakPolarHBondContact O-CB 3.25Å; D237-S241 PolarHBondContact O-N 2.79Å; D237-S241 PolarHBondContact O-OG 3.34Å; I238-S241 WeakPolarHBondContact O-CB 3.44Å; I238-S241 PolarHBondContact O-N 2.87Å; Q239-S241 PolarHBondContact O-N 3.29Å; S241-A244 PolarHBondContact O-N 2.86Å; S241-K245 PolarHBondContact O-N 3.27Å
242	K	96.8	Very high	96.4	Very high	74 Å²	74	50.8 Å²	50.8	32%	0.322	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-47.2	173.2	-69.6	-177.5	177.1	-175.4	0	111.8	E198 D227 I238 Q239 A244 K245 A246	E198-K242 VanDerWaalsContact OE1-CE 3.23Å; E198-K242 WeakPolarHBondContact OE1-CE 3.35Å; D227-K242 HydrophobicContact CB-CB 4.41Å; I238-K242 PolarHBondContact O-N 2.91Å; I238-K242 VanDerWaalsContact O-N 3.16Å; Q239-K242 PolarHBondContact O-N 3.42Å; K242-A244 VanDerWaalsContact C-N 3.31Å; K242-A244 PolarHBondContact O-N 2.92Å; K242-K245 PolarHBondContact O-N 3.19Å; K242-A246 PolarHBondContact O-N 2.65Å
243	C	98.3	Very high	95.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-44.7	175.7	178.9	0	0	0	0	111.7	D227 C228 Q239 I240 K245 A246 L247	D227-C243 WeakPolarHBondContact O-CB 3.38Å; C228-C243 HydrophobicContact CB-CB 3.9Å; C228-C243 WeakPolarHBondContact CB-SG 3.41Å; C228-C243 WeakPolarHBondContact SG-CA 3.27Å; C228-C243 WeakPolarHBondContact SG-CB 3.46Å; C228-C243 CovalentContact SG-SG 2.03Å; C228-C243 PolarHBondContact SG-SG 2.96Å; Q239-C243 WeakPolarHBondContact O-CB 3.39Å; Q239-C243 PolarHBondContact O-N 3.37Å; I240-C243 PolarHBondContact O-N 3.29Å; C243-K245 PolarHBondContact O-N 2.89Å; C243-A246 PolarHBondContact O-N 2.84Å; C243-L247 WeakPolarHBondContact O-CB 3.44Å; C243-L247 WeakPolarHBondContact O-CG 3.5Å; C243-L247 PolarHBondContact O-N 2.84Å
244	A	98.1	Very high	94.8	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-46	177.1	0	0	0	0	0	112.1	I187 I240 S241 K242 A246 L247 G248 I249 F251	I187-A244 HydrophobicContact CD1-CB 3.67Å; I187-A244 HydrophobicContact CG1-CB 4.48Å; I240-A244 WeakPolarHBondContact O-CB 3.44Å; I240-A244 PolarHBondContact O-N 3.33Å; S241-A244 PolarHBondContact O-N 2.86Å; K242-A244 VanDerWaalsContact C-N 3.31Å; K242-A244 PolarHBondContact O-N 2.92Å; A244-A246 PolarHBondContact O-N 3.16Å; A244-L247 CarbonylContact O-C 3.59Å; A244-L247 PolarHBondContact O-N 2.99Å; A244-G248 PolarHBondContact O-N 2.94Å; A244-G248 VanDerWaalsContact O-N 3.13Å; A244-I249 HydrophobicContact CB-CB 3.92Å; A244-I249 HydrophobicContact CB-CD1 4.37Å; A244-I249 HydrophobicContact CB-CG2 4.33Å; A244-I249 WeakPolarHBondContact O-CB 3.4Å; A244-I249 PolarHBondContact O-N 3.22Å; A244-F251 HydrophobicContact CB-CE1 4.34Å; A244-F251 HydrophobicContact CB-CZ 4.34Å
245	K	96.8	Very high	94.3	Very high	131 Å²	131	41 Å²	41	57%	0.57	23%	0.225	S	C	*	.	H	α-helix	trans	-59.7	-46.6	176	-175	177.8	179.1	179.3	0	111.7	N197 S241 K242 C243 L247 G248	N197-K245 PolarHBondContact O-NZ 3.38Å; S241-K245 PolarHBondContact O-N 3.27Å; K242-K245 PolarHBondContact O-N 3.19Å; C243-K245 PolarHBondContact O-N 2.89Å; K245-L247 PolarHBondContact O-N 3.47Å; K245-G248 PolarHBondContact O-N 3.34Å; K245-G248 VanDerWaalsContact O-N 3.14Å
246	A	97.5	Very high	93.7	Very high	47 Å²	47	38.7 Å²	38.7	39%	0.388	21%	0.209	S	C	.	.	H	α-helix	trans	-63.8	-27.6	178.7	0	0	0	0	0	113.2	V225 D227 K242 C243 A244	V225-A246 HydrophobicContact CG1-CB 3.7Å; D227-A246 HydrophobicContact CB-CB 3.83Å; K242-A246 PolarHBondContact O-N 2.65Å; C243-A246 PolarHBondContact O-N 2.84Å; A244-A246 PolarHBondContact O-N 3.16Å
247	L	98.3	Very high	93	Very high	34 Å²	34	44.7 Å²	44.7	18%	0.178	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	1.1	177.2	-69	171.7	0	0	0	114.1	I217 K220 V225 C243 A244 K245 I249	I217-L247 HydrophobicContact CB-CD1 4.37Å; I217-L247 HydrophobicContact CG1-CD1 3.94Å; K220-L247 HydrophobicContact CB-CD2 4.14Å; V225-L247 HydrophobicContact CG2-CD2 3.96Å; C243-L247 WeakPolarHBondContact O-CB 3.44Å; C243-L247 WeakPolarHBondContact O-CG 3.5Å; C243-L247 PolarHBondContact O-N 2.84Å; A244-L247 CarbonylContact O-C 3.59Å; A244-L247 PolarHBondContact O-N 2.99Å; K245-L247 PolarHBondContact O-N 3.47Å; L247-I249 VanDerWaalsContact C-N 3.31Å; L247-I249 HydrophobicContact CB-CD1 4.08Å; L247-I249 HydrophobicContact CB-CG1 3.9Å; L247-I249 HydrophobicContact CD1-CD1 4.19Å; L247-I249 PolarHBondContact O-N 2.97Å
248	G	97.8	Very high	92.3	Very high	61 Å²	61	49.2 Å²	49.2	63%	0.629	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	27.7	-177.1	0	0	0	0	0	114	A244 K245	A244-G248 PolarHBondContact O-N 2.94Å; A244-G248 VanDerWaalsContact O-N 3.13Å; K245-G248 PolarHBondContact O-N 3.34Å; K245-G248 VanDerWaalsContact O-N 3.14Å
249	I	98.4	Very high	91.7	Very high	8 Å²	8	49.3 Å²	49.3	4%	0.041	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-81	128.3	176.4	-56.4	-178.6	0	0	0	108.9	P185 I187 A213 L216 I217 A244 L247	P185-I249 HydrophobicContact CB-CB 4.49Å; P185-I249 HydrophobicContact CB-CG1 4.15Å; P185-I249 HydrophobicContact CB-CG2 4.27Å; I187-I249 HydrophobicContact CG1-CG2 3.85Å; A213-I249 HydrophobicContact CB-CD1 4.14Å; A213-I249 HydrophobicContact CB-CG2 3.89Å; L216-I249 HydrophobicContact CB-CD1 4.32Å; L216-I249 HydrophobicContact CD1-CG1 4.36Å; I217-I249 HydrophobicContact CD1-CD1 3.96Å; I217-I249 HydrophobicContact CG1-CD1 3.6Å; A244-I249 HydrophobicContact CB-CB 3.92Å; A244-I249 HydrophobicContact CB-CD1 4.37Å; A244-I249 HydrophobicContact CB-CG2 4.33Å; A244-I249 WeakPolarHBondContact O-CB 3.4Å; A244-I249 PolarHBondContact O-N 3.22Å; L247-I249 VanDerWaalsContact C-N 3.31Å; L247-I249 HydrophobicContact CB-CD1 4.08Å; L247-I249 HydrophobicContact CB-CG1 3.9Å; L247-I249 HydrophobicContact CD1-CD1 4.19Å; L247-I249 PolarHBondContact O-N 2.97Å
250	E	96.6	Very high	91	Very high	101 Å²	101	51.7 Å²	51.7	47%	0.472	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	135.7	-175.9	-169.8	-169.1	162.3	0	0	111.6	P185 F186 I187 K252	P185-E250 PolarHBondContact O-N 3.24Å; F186-E250 CarbonylContact C-O 3.55Å; F186-E250 WeakPolarHBondContact CA-O 3.35Å; F186-E250 HydrophobicContact CB-CB 4.23Å; F186-E250 WeakPolarHBondContact CB-O 3.2Å; I187-E250 PolarHBondContact N-O 2.87Å; E250-K252 HydrophobicContact CG-CG 4.4Å; E250-K252 WeakPolarHBondContact OE1-CE 3.36Å; E250-K252 VanDerWaalsContact OE2-CE 3.25Å; E250-K252 WeakPolarHBondContact OE2-CE 3.43Å
251	F	94.6	Very high	90.3	Very high	52 Å²	52	53 Å²	53	23%	0.228	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	122.9	163.6	-68.5	-50.7	0	0	0	109.9	I187 I191 F199 A244	I187-F251 HydrophobicContact CB-CD1 3.99Å; I187-F251 HydrophobicContact CB-CE1 4.19Å; I187-F251 HydrophobicContact CD1-CE1 4.28Å; I187-F251 HydrophobicContact CG2-CD1 4.48Å; I187-F251 WeakPolarHBondContact O-CA 3.14Å; I191-F251 HydrophobicContact CD1-CB 4.06Å; I191-F251 HydrophobicContact CD1-CD1 3.83Å; I191-F251 HydrophobicContact CD1-CG 4.09Å; I191-F251 HydrophobicContact CG1-CB 4.18Å; I191-F251 HydrophobicContact CG2-CB 4.35Å; I191-F251 HydrophobicContact CG2-CG 4.44Å; F199-F251 HydrophobicContact CB-CD2 4.22Å; F199-F251 HydrophobicContact CB-CE2 4.25Å; A244-F251 HydrophobicContact CB-CE1 4.34Å; A244-F251 HydrophobicContact CB-CZ 4.34Å
252	K	90.7	Very high	90	Very high	47 Å²	47	54.1 Å²	54.1	20%	0.204	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.6	172	-69.8	-167.7	173.9	-165.7	0	109.4	F186 I187 M188 E250	F186-K252 HydrophobicContact CB-CD 4Å; F186-K252 HydrophobicContact CB-CG 4Å; F186-K252 HydrophobicContact CD1-CD 4.25Å; F186-K252 HydrophobicContact CD2-CB 4.32Å; F186-K252 HydrophobicContact CD2-CD 3.91Å; F186-K252 HydrophobicContact CD2-CG 4.24Å; F186-K252 HydrophobicContact CE2-CD 4.42Å; F186-K252 HydrophobicContact CG-CD 3.8Å; F186-K252 HydrophobicContact CG-CG 4.24Å; I187-K252 PolarHBondContact O-N 3.13Å; M188-K252 VanDerWaalsContact CA-O 3.29Å; M188-K252 WeakPolarHBondContact CA-O 3.33Å; M188-K252 HydrophobicContact CB-CB 4.27Å; M188-K252 HydrophobicContact CE-CB 4.16Å; E250-K252 HydrophobicContact CG-CG 4.4Å; E250-K252 WeakPolarHBondContact OE1-CE 3.36Å; E250-K252 VanDerWaalsContact OE2-CE 3.25Å; E250-K252 WeakPolarHBondContact OE2-CE 3.43Å
253	D	74.8	Confident	89.5	Confident	71 Å²	71	50.7 Å²	50.7	38%	0.38	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	149.2	166.6	-157.5	-14.7	0	0	0	109.5	I255	D253-I255 VanDerWaalsContact C-N 3.27Å; D253-I255 HydrophobicContact CB-CD1 4.21Å; D253-I255 HydrophobicContact CB-CG1 3.86Å; D253-I255 PolarHBondContact O-N 3.24Å; D253-I255 WeakPolarHBondContact OD2-CD1 3.14Å; D253-I255 WeakPolarHBondContact OD2-CG1 3.48Å
254	S	80.1	Confident	88.7	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.282	C	S	.	.			trans	-91.7	23.6	-179.3	69	0	0	0	0	112.5	D256 R262 F263	S254-D256 PolarHBondContact O-N 2.91Å; S254-R262 VanDerWaalsContact O-CB 3.24Å; S254-R262 WeakPolarHBondContact O-CB 3.47Å; S254-R262 WeakPolarHBondContact O-CD 3.41Å; S254-R262 WeakPolarHBondContact O-CG 3.41Å; S254-R262 PolarHBondContact O-N 2.65Å; S254-R262 PolarHBondContact O-NE 2.79Å; S254-R262 PolarHBondContact OG-N 3.15Å; S254-F263 VanDerWaalsContact CB-CD2 3.48Å; S254-F263 WeakPolarHBondContact OG-CD2 3.27Å; S254-F263 PolarHBondContact OG-N 2.64Å; S254-F263 VanDerWaalsContact OG-N 3.14Å
255	I	84.4	Confident	87.7	Confident	85 Å²	85	53.1 Å²	53.1	44%	0.436	29%	0.294	S	S	.	.			trans	-58.5	135.8	-175.6	-52.6	-177.6	0	0	0	110.3	D253 G259 K260	D253-I255 VanDerWaalsContact C-N 3.27Å; D253-I255 HydrophobicContact CB-CD1 4.21Å; D253-I255 HydrophobicContact CB-CG1 3.86Å; D253-I255 PolarHBondContact O-N 3.24Å; D253-I255 WeakPolarHBondContact OD2-CD1 3.14Å; D253-I255 WeakPolarHBondContact OD2-CG1 3.48Å; I255-G259 VanDerWaalsContact CG2-CA 3.41Å; I255-K260 CarbonylContact C-O 3.56Å; I255-K260 WeakPolarHBondContact CA-O 3.13Å
256	D	83.8	Confident	86.9	Confident	16 Å²	16	47.2 Å²	47.2	9%	0.086	27%	0.269	C	S	.	.			trans	-87.9	-177.6	176.1	71.8	5.8	0	0	0	113	S254 F258 G259 K260 R262 S307	S254-D256 PolarHBondContact O-N 2.91Å; D256-F258 PolarHBondContact O-N 3.22Å; D256-F258 VanDerWaalsContact O-N 3.07Å; D256-F258 WeakPolarHBondContact OD1-CA 3.32Å; D256-F258 WeakPolarHBondContact OD1-CB 3.01Å; D256-F258 PolarHBondContact OD1-N 3.31Å; D256-F258 WeakPolarHBondContact OD2-CD2 3.26Å; D256-G259 PolarHBondContact O-N 2.96Å; D256-G259 VanDerWaalsContact O-N 3.1Å; D256-G259 PolarHBondContact OD1-N 3.02Å; D256-K260 PolarHBondContact N-O 2.9Å; D256-K260 PolarHBondContact OD1-N 2.92Å; D256-R262 HydrophobicContact CB-CG 4.01Å; D256-S307 WeakPolarHBondContact OD2-CB 3.49Å; D256-S307 PolarHBondContact OD2-OG 3.14Å
257	M	82.4	Confident	86.2	Confident	126 Å²	126	47 Å²	47	62%	0.621	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-10.2	177.7	67	-168.8	175.1	0	0	114.7
258	F	81.7	Confident	85.5	Confident	117 Å²	117	46.2 Å²	46.2	51%	0.513	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	6.9	178	-53.6	-65.3	0	0	0	112.6	D256 K260 P308	D256-F258 PolarHBondContact O-N 3.22Å; D256-F258 VanDerWaalsContact O-N 3.07Å; D256-F258 WeakPolarHBondContact OD1-CA 3.32Å; D256-F258 WeakPolarHBondContact OD1-CB 3.01Å; D256-F258 PolarHBondContact OD1-N 3.31Å; D256-F258 WeakPolarHBondContact OD2-CD2 3.26Å; F258-K260 VanDerWaalsContact C-N 3.28Å; F258-K260 HydrophobicContact CB-CG 4.31Å; F258-K260 PolarHBondContact O-N 3.5Å; F258-P308 HydrophobicContact CD2-CG 3.89Å; F258-P308 HydrophobicContact CE2-CG 3.67Å
259	G	82.1	Confident	84.7	Confident	59 Å²	59	46.8 Å²	46.8	61%	0.608	25%	0.247	S	C	*	.	S	Bend	trans	74.6	16.3	-176.9	0	0	0	0	0	113.6	I255 D256	I255-G259 VanDerWaalsContact CG2-CA 3.41Å; D256-G259 PolarHBondContact O-N 2.96Å; D256-G259 VanDerWaalsContact O-N 3.1Å; D256-G259 PolarHBondContact OD1-N 3.02Å
260	K	82.6	Confident	83.6	Confident	54 Å²	54	49 Å²	49	24%	0.235	26%	0.259	C	S	.	.			trans	-103.6	139.1	-178.4	-59.3	-171.5	-176.3	-175.4	0	111.7	I255 D256 F258 L304 A306	I255-K260 CarbonylContact C-O 3.56Å; I255-K260 WeakPolarHBondContact CA-O 3.13Å; D256-K260 PolarHBondContact N-O 2.9Å; D256-K260 PolarHBondContact OD1-N 2.92Å; F258-K260 VanDerWaalsContact C-N 3.28Å; F258-K260 HydrophobicContact CB-CG 4.31Å; F258-K260 PolarHBondContact O-N 3.5Å; K260-L304 PolarHBondContact NZ-O 3.03Å; K260-A306 VanDerWaalsContact CD-O 3.28Å; K260-A306 WeakPolarHBondContact CD-O 3.4Å
261	S	83.6	Confident	82.6	Confident	28 Å²	28	44.4 Å²	44.4	20%	0.196	24%	0.238	C	C	.	.			trans	-61.1	137.5	172.4	179.7	0	0	0	0	110.7	F263 S307	S261-F263 PolarHBondContact OG-N 3.19Å; S261-F263 PolarHBondContact OG-O 3.38Å; S261-S307 VanDerWaalsContact O-CB 3.32Å; S261-S307 WeakPolarHBondContact O-CB 3.32Å
262	R	89.8	Confident	81.7	Confident	26 Å²	26	45.7 Å²	45.7	10%	0.098	24%	0.243	C	C	.	.	S	Bend	trans	-93.2	-18.9	173.3	-68.7	-176.7	-71.7	-173.8	-4.8	113	N175 A176 S254 D256 L309 L310 I311	N175-R262 PolarHBondContact OD1-NH1 2.88Å; A176-R262 VanDerWaalsContact CB-NH1 3.27Å; A176-R262 VanDerWaalsContact CB-NH2 3.31Å; S254-R262 VanDerWaalsContact O-CB 3.24Å; S254-R262 WeakPolarHBondContact O-CB 3.47Å; S254-R262 WeakPolarHBondContact O-CD 3.41Å; S254-R262 WeakPolarHBondContact O-CG 3.41Å; S254-R262 PolarHBondContact O-N 2.65Å; S254-R262 PolarHBondContact O-NE 2.79Å; S254-R262 PolarHBondContact OG-N 3.15Å; D256-R262 HydrophobicContact CB-CG 4.01Å; R262-L309 HydrophobicContact CG-CB 4.39Å; R262-L309 WeakPolarHBondContact CG-O 2.91Å; R262-L310 CarbonylContact O-C 3.49Å; R262-L310 VanDerWaalsContact O-CD1 3.25Å; R262-L310 WeakPolarHBondContact O-CD1 2.95Å; R262-I311 HydrophobicContact CB-CD1 3.58Å; R262-I311 HydrophobicContact CB-CG1 3.86Å; R262-I311 WeakPolarHBondContact O-CB 3.01Å; R262-I311 PolarHBondContact O-N 3.43Å
263	F	88.1	Confident	80.5	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.009	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	134	164.5	-74.3	-99.2	0	0	0	109.2	L173 M188 H190 G206 V208 S254 S261 I311 S312	L173-F263 HydrophobicContact CD1-CZ 4.24Å; M188-F263 HydrophobicContact CG-CE2 4.02Å; M188-F263 HydrophobicContact SD-CE2 4.45Å; H190-F263 HydrophobicContact CB-CB 3.86Å; G206-F263 VanDerWaalsContact O-CD1 3.23Å; G206-F263 WeakPolarHBondContact O-CD1 3.38Å; G206-F263 WeakPolarHBondContact O-CE1 3.24Å; V208-F263 HydrophobicContact CG2-CZ 4.09Å; S254-F263 VanDerWaalsContact CB-CD2 3.48Å; S254-F263 WeakPolarHBondContact OG-CD2 3.27Å; S254-F263 PolarHBondContact OG-N 2.64Å; S254-F263 VanDerWaalsContact OG-N 3.14Å; S261-F263 PolarHBondContact OG-N 3.19Å; S261-F263 PolarHBondContact OG-O 3.38Å; F263-I311 HydrophobicContact CD1-CG2 4.44Å; F263-I311 HydrophobicContact CD2-CD1 4.11Å; F263-I311 HydrophobicContact CE1-CG2 3.94Å; F263-I311 HydrophobicContact CE2-CD1 3.67Å; F263-I311 HydrophobicContact CE2-CG2 4.3Å; F263-I311 HydrophobicContact CZ-CD1 4.23Å; F263-I311 HydrophobicContact CZ-CG2 3.86Å; F263-S312 VanDerWaalsContact CD1-OG 3.32Å; F263-S312 WeakPolarHBondContact CD1-OG 3.44Å
264	S	80.2	Confident	79.6	Confident	5 Å²	5	44.5 Å²	44.5	4%	0.035	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	148.6	173.7	-169.5	0	0	0	0	110.4	F205 V266 S312	F205-S264 VanDerWaalsContact CB-O 3.23Å; F205-S264 WeakPolarHBondContact CB-O 3.35Å; F205-S264 WeakPolarHBondContact CD2-O 3.46Å; F205-S264 WeakPolarHBondContact CG-O 3.39Å; S264-V266 PolarHBondContact OG-N 3.23Å; S264-V266 PolarHBondContact OG-O 2.92Å; S264-S312 WeakPolarHBondContact CB-O 3.42Å; S264-S312 PolarHBondContact N-O 3.01Å
265	N	76.7	Confident	78.4	Confident	45 Å²	45	47.7 Å²	47.7	24%	0.241	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-5.9	173.5	66.4	-20.6	0	0	0	112.7	H190 F205 K291	H190-N265 VanDerWaalsContact CE1-CB 3.41Å; H190-N265 WeakPolarHBondContact CE1-CB 2.99Å; H190-N265 VanDerWaalsContact NE2-CB 3.27Å; H190-N265 WeakPolarHBondContact NE2-CB 3.42Å; F205-N265 WeakPolarHBondContact CE2-O 3.35Å; N265-K291 PolarHBondContact ND2-O 2.7Å
266	V	79.9	Confident	77	Confident	8 Å²	8	50.7 Å²	50.7	5%	0.048	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	161.9	-176.9	-62.6	0	0	0	0	111	F205 S264 D270 L271 K291	F205-V266 VanDerWaalsContact CE1-C 3.4Å; F205-V266 WeakPolarHBondContact CE1-O 3.34Å; F205-V266 WeakPolarHBondContact CZ-O 3.33Å; S264-V266 PolarHBondContact OG-N 3.23Å; S264-V266 PolarHBondContact OG-O 2.92Å; V266-D270 HydrophobicContact CB-CB 3.78Å; V266-D270 HydrophobicContact CG2-CB 4.07Å; V266-L271 HydrophobicContact CG2-CB 3.98Å; V266-L271 HydrophobicContact CG2-CD1 4.25Å; V266-K291 HydrophobicContact CG1-CB 3.86Å; V266-K291 HydrophobicContact CG1-CD 3.74Å; V266-K291 HydrophobicContact CG1-CG 4.46Å
267	T	84.6	Confident	75.5	Confident	42 Å²	42	52.3 Å²	52.3	26%	0.258	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	160.3	178.4	72.8	0	0	0	0	110.7	N269 D270 L271 G314	T267-N269 PolarHBondContact O-N 3.22Å; T267-N269 VanDerWaalsContact O-N 3.15Å; T267-N269 PolarHBondContact OG1-N 3.38Å; T267-D270 WeakPolarHBondContact CB-OD2 3.37Å; T267-D270 PolarHBondContact N-OD2 3.18Å; T267-D270 PolarHBondContact O-N 2.77Å; T267-D270 PolarHBondContact OG1-N 2.68Å; T267-D270 PolarHBondContact OG1-OD2 3.28Å; T267-L271 WeakPolarHBondContact O-CB 3.32Å; T267-L271 PolarHBondContact O-N 2.95Å; T267-G314 WeakPolarHBondContact CA-O 3.41Å
268	I	83.2	Confident	74.2	Confident	18 Å²	18	51.7 Å²	51.7	9%	0.092	29%	0.294	C	S	.	.	H	α-helix	trans	-57.7	-29.6	175.1	-163.5	168.1	0	0	0	112.6	L271 F272 F313 G314 L316 L324	I268-L271 PolarHBondContact O-N 3.48Å; I268-F272 HydrophobicContact CD1-CD2 4.29Å; I268-F272 HydrophobicContact CD1-CE2 4.48Å; I268-F272 HydrophobicContact CG1-CD2 3.58Å; I268-F272 HydrophobicContact CG1-CE2 4.04Å; I268-F272 PolarHBondContact O-N 3.33Å; I268-F313 HydrophobicContact CD1-CD1 4.26Å; I268-F313 HydrophobicContact CG1-CD1 4.35Å; I268-G314 PolarHBondContact N-O 3.26Å; I268-L316 HydrophobicContact CB-CD2 4.22Å; I268-L316 HydrophobicContact CD1-CD2 3.73Å; I268-L316 HydrophobicContact CG2-CD2 3.72Å; I268-L316 HydrophobicContact CG2-CG 4.39Å; I268-L324 HydrophobicContact CD1-CD1 4.05Å; I268-L324 HydrophobicContact CD1-CD2 4.17Å; I268-L324 HydrophobicContact CD1-CG 4.41Å
269	N	80.1	Confident	72.9	Confident	73 Å²	73	52.4 Å²	52.4	39%	0.39	30%	0.304	S	S	.	.	H	α-helix	trans	-71.3	-38.4	175.3	-78.8	-27.6	0	0	0	112.1	T267 L271 G273 R320	T267-N269 PolarHBondContact O-N 3.22Å; T267-N269 VanDerWaalsContact O-N 3.15Å; T267-N269 PolarHBondContact OG1-N 3.38Å; N269-L271 VanDerWaalsContact C-N 3.28Å; N269-G273 CarbonylContact O-C 3.34Å; N269-G273 WeakPolarHBondContact O-CA 3.23Å; N269-G273 PolarHBondContact O-N 2.86Å; N269-R320 PolarHBondContact ND2-NH1 3.25Å; N269-R320 VanDerWaalsContact ND2-NH1 3.18Å; N269-R320 PolarHBondContact OD1-NH1 3.38Å; N269-R320 PolarHBondContact OD1-NH2 2.72Å
270	D	76.2	Confident	71.4	Confident	55 Å²	55	51.5 Å²	51.5	29%	0.294	29%	0.285	S	S	.	.	H	α-helix	trans	-74.8	-27	176.9	-59.2	-48.2	0	0	0	111.1	V266 T267	V266-D270 HydrophobicContact CB-CB 3.78Å; V266-D270 HydrophobicContact CG2-CB 4.07Å; T267-D270 WeakPolarHBondContact CB-OD2 3.37Å; T267-D270 PolarHBondContact N-OD2 3.18Å; T267-D270 PolarHBondContact O-N 2.77Å; T267-D270 PolarHBondContact OG1-N 2.68Å; T267-D270 PolarHBondContact OG1-OD2 3.28Å
271	L	76.2	Confident	69.9	Low	4 Å²	4	56.8 Å²	56.8	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-78.7	-42.2	178.9	-170.5	61.3	0	0	0	113.1	V266 T267 I268 N269 W287 L304 A306 L310 F313	V266-L271 HydrophobicContact CG2-CB 3.98Å; V266-L271 HydrophobicContact CG2-CD1 4.25Å; T267-L271 WeakPolarHBondContact O-CB 3.32Å; T267-L271 PolarHBondContact O-N 2.95Å; I268-L271 PolarHBondContact O-N 3.48Å; N269-L271 VanDerWaalsContact C-N 3.28Å; L271-W287 WeakPolarHBondContact O-CZ3 3.42Å; L271-L304 HydrophobicContact CD1-CD1 3.73Å; L271-L304 HydrophobicContact CD1-CG 4.35Å; L271-L304 HydrophobicContact CG-CD1 4.1Å; L271-A306 HydrophobicContact CD1-CB 4.18Å; L271-A306 HydrophobicContact CD2-CB 4.18Å; L271-L310 HydrophobicContact CD2-CD2 4.45Å; L271-F313 HydrophobicContact CD2-CE1 4.36Å
272	F	74.5	Confident	68.3	Low	79 Å²	79	59.1 Å²	59.1	35%	0.346	33%	0.332	S	S	.	.	H	α-helix	trans	-126.8	4	-174.8	-54.7	-65.1	0	0	0	115	I268 W287 L304 F313	I268-F272 HydrophobicContact CD1-CD2 4.29Å; I268-F272 HydrophobicContact CD1-CE2 4.48Å; I268-F272 HydrophobicContact CG1-CD2 3.58Å; I268-F272 HydrophobicContact CG1-CE2 4.04Å; I268-F272 PolarHBondContact O-N 3.33Å; F272-W287 WeakPolarHBondContact O-CH2 3.38Å; F272-L304 HydrophobicContact CD1-CD1 4.26Å; F272-L304 HydrophobicContact CD1-CD2 4.49Å; F272-L304 HydrophobicContact CE1-CD1 4.01Å; F272-L304 HydrophobicContact CE1-CD2 3.53Å; F272-L304 HydrophobicContact CE1-CG 4.46Å; F272-L304 HydrophobicContact CZ-CD2 4.13Å; F272-F313 HydrophobicContact CE2-CD1 4.42Å; F272-F313 AromaticContact CE2-CE1 3.8Å; F272-F313 HydrophobicContact CE2-CE1 3.8Å; F272-F313 HydrophobicContact CZ-CE1 4.29Å
273	G	65.1	Low	66.4	Low	20 Å²	20	61.3 Å²	61.3	21%	0.206	36%	0.363	C	S	.	.	S	Bend	trans	-110.8	161	175.6	0	0	0	0	0	113.4	N269 W287	N269-G273 CarbonylContact O-C 3.34Å; N269-G273 WeakPolarHBondContact O-CA 3.23Å; N269-G273 PolarHBondContact O-N 2.86Å; G273-W287 VanDerWaalsContact C-CZ3 3.47Å; G273-W287 WeakPolarHBondContact O-CZ3 3.42Å
274	T	55.9	Low	64.6	Low	73 Å²	73	64.7 Å²	64.7	45%	0.448	38%	0.383	S	S	.	.			trans	-68.8	131.2	177.7	61.6	0	0	0	0	110.7	N276 I285	T274-N276 PolarHBondContact O-N 2.77Å; T274-I285 HydrophobicContact CG2-CB 4.2Å; T274-I285 HydrophobicContact CG2-CD1 4.07Å; T274-I285 HydrophobicContact CG2-CG1 3.97Å; T274-I285 HydrophobicContact CG2-CG2 3.25Å
275	F	55.9	Low	63	Low	67 Å²	67	70 Å²	70	29%	0.294	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-80	109.3	170	178	-102.8	0	0	0	109.1	N277 Q286 N288	F275-N277 VanDerWaalsContact C-N 3.31Å; F275-N277 HydrophobicContact CD1-CB 3.86Å; F275-N277 HydrophobicContact CE1-CB 3.54Å; F275-N277 PolarHBondContact O-N 2.77Å; F275-Q286 VanDerWaalsContact CA-O 3.31Å; F275-Q286 WeakPolarHBondContact CA-O 3.37Å; F275-Q286 WeakPolarHBondContact CB-O 3.02Å; F275-Q286 PolarHBondContact N-O 2.97Å; F275-Q286 VanDerWaalsContact O-O 3.12Å; F275-N288 HydrophobicContact CB-CB 4.17Å; F275-N288 VanDerWaalsContact CB-N 3.31Å; F275-N288 HydrophobicContact CD2-CB 3.67Å; F275-N288 HydrophobicContact CE2-CB 4.23Å; F275-N288 HydrophobicContact CG-CB 4Å
276	N	54.6	Low	61.6	Low	148 Å²	148	72.1 Å²	72.1	79%	0.791	42%	0.419	S	S	*	.			trans	-73.8	90.8	165.9	-85.7	-3.6	0	0	0	108	T274 S278	T274-N276 PolarHBondContact O-N 2.77Å; N276-S278 PolarHBondContact O-N 3.01Å
277	N	53.2	Low	60.1	Low	50 Å²	50	73.6 Å²	73.6	27%	0.267	42%	0.424	S	S	.	.			trans	-66.5	115.3	162.4	-168.5	-2.2	0	0	0	106.9	F275 N279 N280	F275-N277 VanDerWaalsContact C-N 3.31Å; F275-N277 HydrophobicContact CD1-CB 3.86Å; F275-N277 HydrophobicContact CE1-CB 3.54Å; F275-N277 PolarHBondContact O-N 2.77Å; N277-N279 PolarHBondContact O-N 3.01Å; N277-N279 WeakPolarHBondContact OD1-CB 3.41Å; N277-N279 PolarHBondContact OD1-N 3.36Å; N277-N279 VanDerWaalsContact OD1-N 3.15Å; N277-N280 HydrophobicContact CB-CB 3.99Å; N277-N280 PolarHBondContact ND2-OD1 2.77Å; N277-N280 VanDerWaalsContact ND2-OD1 3.17Å; N277-N280 PolarHBondContact O-N 3.32Å
278	S	54.9	Low	58.5	Low	113 Å²	113	73 Å²	73	79%	0.79	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-16.5	172.8	-171.6	0	0	0	0	112.4	N276	N276-S278 PolarHBondContact O-N 3.01Å
279	N	53.6	Low	56.8	Low	132 Å²	132	75.5 Å²	75.5	71%	0.706	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-4.5	179.3	-60.3	-6	0	0	0	114	N277 N281	N277-N279 PolarHBondContact O-N 3.01Å; N277-N279 WeakPolarHBondContact OD1-CB 3.41Å; N277-N279 PolarHBondContact OD1-N 3.36Å; N277-N279 VanDerWaalsContact OD1-N 3.15Å; N279-N281 PolarHBondContact O-N 3.2Å
280	N	49.7	Very low	55.3	Low	39 Å²	39	79.1 Å²	79.1	21%	0.209	45%	0.454	C	S	.	.			trans	-87.4	85.1	175.7	-75.4	-3.7	0	0	0	110.4	N277 S282 Q286	N277-N280 HydrophobicContact CB-CB 3.99Å; N277-N280 PolarHBondContact ND2-OD1 2.77Å; N277-N280 VanDerWaalsContact ND2-OD1 3.17Å; N277-N280 PolarHBondContact O-N 3.32Å; N280-S282 PolarHBondContact O-N 2.97Å; N280-S282 VanDerWaalsContact O-N 3.13Å; N280-Q286 PolarHBondContact ND2-OE1 2.89Å
281	N	52.4	Low	54	Low	165 Å²	165	82.7 Å²	82.7	88%	0.882	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-10.3	168.3	-74.2	-9.2	0	0	0	113.3	N279 G283	N279-N281 PolarHBondContact O-N 3.2Å; N281-G283 VanDerWaalsContact C-N 3.29Å; N281-G283 PolarHBondContact O-N 3.39Å
282	S	50.6	Low	52.5	Low	77 Å²	77	82.9 Å²	82.9	54%	0.538	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-7.9	-177.1	55.6	0	0	0	0	114.4	N280 T284	N280-S282 PolarHBondContact O-N 2.97Å; N280-S282 VanDerWaalsContact O-N 3.13Å; S282-T284 PolarHBondContact O-N 3.4Å; S282-T284 PolarHBondContact OG-OG1 2.74Å
283	G	49.4	Very low	51.1	Low	73 Å²	73	86.3 Å²	86.3	75%	0.753	49%	0.49	S	S	*	.			trans	61.7	4	-174.1	0	0	0	0	0	114	N281 I285	N281-G283 VanDerWaalsContact C-N 3.29Å; N281-G283 PolarHBondContact O-N 3.39Å; G283-I285 PolarHBondContact O-N 3.29Å
284	T	48.9	Very low	50.2	Low	72 Å²	72	87.1 Å²	87.1	44%	0.442	49%	0.487	S	S	.	.			trans	-73.4	116.7	178.3	53.2	0	0	0	0	108.2	S282 Q286	S282-T284 PolarHBondContact O-N 3.4Å; S282-T284 PolarHBondContact OG-OG1 2.74Å; T284-Q286 PolarHBondContact O-N 3.14Å
285	I	48	Very low	49.5	Very low	117 Å²	117	89.7 Å²	89.7	60%	0.6	50%	0.503	S	S	*	.			trans	-53.1	110.7	167.9	-67.5	167.4	0	0	0	107.8	T274 G283	T274-I285 HydrophobicContact CG2-CB 4.2Å; T274-I285 HydrophobicContact CG2-CD1 4.07Å; T274-I285 HydrophobicContact CG2-CG1 3.97Å; T274-I285 HydrophobicContact CG2-CG2 3.25Å; G283-I285 PolarHBondContact O-N 3.29Å
286	Q	46.5	Very low	48.8	Very low	89 Å²	89	90.8 Å²	90.8	42%	0.416	51%	0.509	S	S	.	.	B	Isolated β-bridge	trans	-113.3	154.4	169.2	-70.8	-176.7	-7.4	0	0	108.1	F275 N280 T284	F275-Q286 VanDerWaalsContact CA-O 3.31Å; F275-Q286 WeakPolarHBondContact CA-O 3.37Å; F275-Q286 WeakPolarHBondContact CB-O 3.02Å; F275-Q286 PolarHBondContact N-O 2.97Å; F275-Q286 VanDerWaalsContact O-O 3.12Å; N280-Q286 PolarHBondContact ND2-OE1 2.89Å; T284-Q286 PolarHBondContact O-N 3.14Å
287	W	49.1	Very low	48.6	Very low	40 Å²	40	89 Å²	89	15%	0.152	52%	0.515	C	S	.	.			trans	-95.7	156.5	173.8	-65.8	84.3	0	0	0	109.1	L271 F272 G273 P289 Y294 Y299	L271-W287 WeakPolarHBondContact O-CZ3 3.42Å; F272-W287 WeakPolarHBondContact O-CH2 3.38Å; G273-W287 VanDerWaalsContact C-CZ3 3.47Å; G273-W287 WeakPolarHBondContact O-CZ3 3.42Å; W287-P289 WeakPolarHBondContact O-CD 3.22Å; W287-P289 VanDerWaalsContact O-N 3.08Å; W287-Y294 HydrophobicContact CB-CD2 4.39Å; W287-Y299 AromaticContact CE2-CD2 3.87Å; W287-Y299 HydrophobicContact CH2-CD2 4.18Å; W287-Y299 AromaticContact CH2-CE2 3.57Å; W287-Y299 HydrophobicContact CH2-CE2 3.57Å; W287-Y299 AromaticContact CZ2-CD2 3.42Å; W287-Y299 HydrophobicContact CZ2-CD2 3.42Å; W287-Y299 VanDerWaalsContact CZ2-CD2 3.42Å; W287-Y299 AromaticContact CZ2-CE2 3.29Å; W287-Y299 HydrophobicContact CZ2-CE2 3.29Å
288	N	50.9	Low	48.7	Very low	30 Å²	30	92.1 Å²	92.1	16%	0.16	54%	0.535	C	S	.	.			trans	-63.5	111.6	-178.6	-176.2	-16.6	0	0	0	109.4	F275 I290 T292	F275-N288 HydrophobicContact CB-CB 4.17Å; F275-N288 VanDerWaalsContact CB-N 3.31Å; F275-N288 HydrophobicContact CD2-CB 3.67Å; F275-N288 HydrophobicContact CE2-CB 4.23Å; F275-N288 HydrophobicContact CG-CB 4Å; N288-I290 VanDerWaalsContact C-N 3.32Å; N288-I290 PolarHBondContact O-N 3.36Å; N288-I290 PolarHBondContact OD1-N 3.26Å; N288-T292 PolarHBondContact O-OG1 2.91Å
289	P	47.6	Very low	48.6	Very low	70 Å²	70	92.4 Å²	92.4	46%	0.455	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-14	-169	29	-30.9	0	0	0	113.5	W287	W287-P289 WeakPolarHBondContact O-CD 3.22Å; W287-P289 VanDerWaalsContact O-N 3.08Å
290	I	48.2	Very low	49.1	Very low	148 Å²	148	88.6 Å²	88.6	76%	0.759	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-15	-164.4	-59.8	177.4	0	0	0	113	N288	N288-I290 VanDerWaalsContact C-N 3.32Å; N288-I290 PolarHBondContact O-N 3.36Å; N288-I290 PolarHBondContact OD1-N 3.26Å
291	K	48	Very low	50	Low	130 Å²	130	91.7 Å²	91.7	57%	0.565	52%	0.516	S	S	*	.	S	Bend	trans	-123.2	-2.4	-175.4	-68.7	-167.4	174.8	-173	0	115.3	N265 V266	N265-K291 PolarHBondContact ND2-O 2.7Å; V266-K291 HydrophobicContact CG1-CB 3.86Å; V266-K291 HydrophobicContact CG1-CD 3.74Å; V266-K291 HydrophobicContact CG1-CG 4.46Å
292	T	46.4	Very low	50.7	Low	8 Å²	8	92.6 Å²	92.6	5%	0.049	51%	0.512	C	S	.	.	S	Bend	trans	-153.6	116.3	-170.1	44.4	0	0	0	0	104.3	N288 Y294 P305	N288-T292 PolarHBondContact O-OG1 2.91Å; T292-Y294 VanDerWaalsContact CB-CE2 3.41Å; T292-Y294 HydrophobicContact CG2-CD2 4.42Å; T292-Y294 HydrophobicContact CG2-CE2 4.13Å; T292-Y294 PolarHBondContact O-N 3.17Å; T292-Y294 WeakPolarHBondContact OG1-CD2 3.44Å; T292-P305 HydrophobicContact CG2-CB 4.47Å; T292-P305 HydrophobicContact CG2-CG 3.36Å
293	D	44.1	Very low	51.3	Low	152 Å²	152	94 Å²	94	81%	0.813	51%	0.508	S	S	*	.			trans	-63.9	69.4	-171.3	-172.9	13.9	0	0	0	112.4
294	Y	45.6	Very low	52.3	Low	36 Å²	36	91.4 Å²	91.4	14%	0.141	48%	0.477	C	S	.	.			trans	-119.1	82.1	-173.5	-69.8	-57.5	0	0	0	109.6	W287 T292 Q296 L304 P305	W287-Y294 HydrophobicContact CB-CD2 4.39Å; T292-Y294 VanDerWaalsContact CB-CE2 3.41Å; T292-Y294 HydrophobicContact CG2-CD2 4.42Å; T292-Y294 HydrophobicContact CG2-CE2 4.13Å; T292-Y294 PolarHBondContact O-N 3.17Å; T292-Y294 WeakPolarHBondContact OG1-CD2 3.44Å; Y294-Q296 VanDerWaalsContact C-N 3.34Å; Y294-L304 VanDerWaalsContact OH-CA 3.26Å; Y294-L304 WeakPolarHBondContact OH-CA 3.45Å; Y294-L304 WeakPolarHBondContact OH-CD1 3.44Å; Y294-P305 HydrophobicContact CE2-CG 3.93Å; Y294-P305 WeakPolarHBondContact OH-CD 3.5Å
295	T	41.6	Very low	53.2	Low	128 Å²	128	90.4 Å²	90.4	79%	0.785	47%	0.472	S	S	*	.			trans	-95.3	10.4	162.2	52.6	0	0	0	0	112.2
296	Q	42.3	Very low	54.6	Low	89 Å²	89	85.3 Å²	85.3	42%	0.416	45%	0.447	S	S	.	.			trans	-90.5	131.9	-176.4	-68.6	178.7	17.7	0	0	112.7	Y294 V298	Y294-Q296 VanDerWaalsContact C-N 3.34Å; Q296-V298 VanDerWaalsContact C-N 3.26Å; Q296-V298 PolarHBondContact O-N 2.97Å
297	A	50.2	Low	56.4	Low	111 Å²	111	81.3 Å²	81.3	92%	0.917	43%	0.429	S	S	*	.	S	Bend	trans	-72.6	-13.7	178.7	0	0	0	0	0	114.3
298	V	53.8	Low	58.3	Low	115 Å²	115	83 Å²	83	70%	0.697	45%	0.445	S	S	*	.	S	Bend	trans	-116.2	136	-176	-176.8	0	0	0	0	110.1	Q296 D300	Q296-V298 VanDerWaalsContact C-N 3.26Å; Q296-V298 PolarHBondContact O-N 2.97Å; V298-D300 PolarHBondContact O-N 3.2Å
299	Y	54.4	Low	60.1	Low	119 Å²	119	82.5 Å²	82.5	47%	0.467	44%	0.442	S	S	.	.			trans	-65.8	112.5	175.9	-169.8	-109	0	0	0	111.1	W287 L301	W287-Y299 AromaticContact CE2-CD2 3.87Å; W287-Y299 HydrophobicContact CH2-CD2 4.18Å; W287-Y299 AromaticContact CH2-CE2 3.57Å; W287-Y299 HydrophobicContact CH2-CE2 3.57Å; W287-Y299 AromaticContact CZ2-CD2 3.42Å; W287-Y299 HydrophobicContact CZ2-CD2 3.42Å; W287-Y299 VanDerWaalsContact CZ2-CD2 3.42Å; W287-Y299 AromaticContact CZ2-CE2 3.29Å; W287-Y299 HydrophobicContact CZ2-CE2 3.29Å; Y299-L301 HydrophobicContact CD1-CG 4.19Å; Y299-L301 HydrophobicContact CE1-CD1 3.94Å; Y299-L301 HydrophobicContact CE1-CD2 3.63Å; Y299-L301 HydrophobicContact CE1-CG 3.4Å; Y299-L301 VanDerWaalsContact CE1-CG 3.4Å; Y299-L301 WeakPolarHBondContact OH-CD2 3.14Å
300	D	63.6	Low	62.2	Low	53 Å²	53	79.6 Å²	79.6	28%	0.283	42%	0.423	S	S	.	.			trans	-123.8	99.8	172.5	-172.8	-1.3	0	0	0	110.6	V298 K302 K303	V298-D300 PolarHBondContact O-N 3.2Å; D300-K302 PolarHBondContact O-N 3.15Å; D300-K302 VanDerWaalsContact O-N 3.14Å; D300-K302 WeakPolarHBondContact OD1-CB 3.09Å; D300-K302 WeakPolarHBondContact OD1-CG 3.41Å; D300-K302 PolarHBondContact OD1-N 2.95Å; D300-K303 HydrophobicContact CB-CB 4.34Å; D300-K303 HydrophobicContact CB-CD 4.15Å; D300-K303 HydrophobicContact CB-CG 4.27Å; D300-K303 PolarHBondContact O-N 3.46Å; D300-K303 WeakPolarHBondContact OD2-CD 3.16Å; D300-K303 WeakPolarHBondContact OD2-CE 3.05Å; D300-K303 WeakPolarHBondContact OD2-CG 3.4Å; D300-K303 IonicContact OD2-NZ 3.92Å
301	L	68.1	Low	64.4	Low	103 Å²	103	72.6 Å²	72.6	54%	0.539	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-56.2	-27	175.1	-78	172.7	0	0	0	113.1	Y299 K303 L304	Y299-L301 HydrophobicContact CD1-CG 4.19Å; Y299-L301 HydrophobicContact CE1-CD1 3.94Å; Y299-L301 HydrophobicContact CE1-CD2 3.63Å; Y299-L301 HydrophobicContact CE1-CG 3.4Å; Y299-L301 VanDerWaalsContact CE1-CG 3.4Å; Y299-L301 WeakPolarHBondContact OH-CD2 3.14Å; L301-K303 PolarHBondContact O-N 3.3Å; L301-L304 VanDerWaalsContact O-CB 3.32Å; L301-L304 WeakPolarHBondContact O-CB 3.47Å; L301-L304 PolarHBondContact O-N 2.88Å
302	K	66.8	Low	66.6	Low	184 Å²	184	66.4 Å²	66.4	80%	0.8	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-66.8	-25.6	178	-57.3	173.3	179.4	178.1	0	111.3	D300	D300-K302 PolarHBondContact O-N 3.15Å; D300-K302 VanDerWaalsContact O-N 3.14Å; D300-K302 WeakPolarHBondContact OD1-CB 3.09Å; D300-K302 WeakPolarHBondContact OD1-CG 3.41Å; D300-K302 PolarHBondContact OD1-N 2.95Å
303	K	64.7	Low	68.8	Low	106 Å²	106	66.8 Å²	66.8	46%	0.461	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-96.5	9.4	179	-64.1	178.1	-172.4	171.6	0	113.4	D300 L301	D300-K303 HydrophobicContact CB-CB 4.34Å; D300-K303 HydrophobicContact CB-CD 4.15Å; D300-K303 HydrophobicContact CB-CG 4.27Å; D300-K303 PolarHBondContact O-N 3.46Å; D300-K303 WeakPolarHBondContact OD2-CD 3.16Å; D300-K303 WeakPolarHBondContact OD2-CE 3.05Å; D300-K303 WeakPolarHBondContact OD2-CG 3.4Å; D300-K303 IonicContact OD2-NZ 3.92Å; L301-K303 PolarHBondContact O-N 3.3Å
304	L	69.1	Low	70.9	Confident	20 Å²	20	59.6 Å²	59.6	11%	0.105	32%	0.323	C	S	.	.			trans	-57.8	126.2	174	-172.6	76.4	0	0	0	110.6	K260 L271 F272 Y294 L301 A306	K260-L304 PolarHBondContact NZ-O 3.03Å; L271-L304 HydrophobicContact CD1-CD1 3.73Å; L271-L304 HydrophobicContact CD1-CG 4.35Å; L271-L304 HydrophobicContact CG-CD1 4.1Å; F272-L304 HydrophobicContact CD1-CD1 4.26Å; F272-L304 HydrophobicContact CD1-CD2 4.49Å; F272-L304 HydrophobicContact CE1-CD1 4.01Å; F272-L304 HydrophobicContact CE1-CD2 3.53Å; F272-L304 HydrophobicContact CE1-CG 4.46Å; F272-L304 HydrophobicContact CZ-CD2 4.13Å; Y294-L304 VanDerWaalsContact OH-CA 3.26Å; Y294-L304 WeakPolarHBondContact OH-CA 3.45Å; Y294-L304 WeakPolarHBondContact OH-CD1 3.44Å; L301-L304 VanDerWaalsContact O-CB 3.32Å; L301-L304 WeakPolarHBondContact O-CB 3.47Å; L301-L304 PolarHBondContact O-N 2.88Å; L304-A306 HydrophobicContact CD2-CB 3.62Å; L304-A306 HydrophobicContact CG-CB 3.75Å; L304-A306 PolarHBondContact O-N 3.41Å
305	P	68.9	Low	73	Confident	50 Å²	50	59.4 Å²	59.4	33%	0.325	33%	0.332	S	S	.	.	S	Bend	trans	-78.5	27.5	175.3	34.5	-34.5	0	0	0	111.4	T292 Y294	T292-P305 HydrophobicContact CG2-CB 4.47Å; T292-P305 HydrophobicContact CG2-CG 3.36Å; Y294-P305 HydrophobicContact CE2-CG 3.93Å; Y294-P305 WeakPolarHBondContact OH-CD 3.5Å
306	A	76.5	Confident	75.4	Confident	10 Å²	10	53.4 Å²	53.4	8%	0.083	30%	0.295	C	S	.	.	S	Bend	trans	-103.6	138.3	166.7	0	0	0	0	0	109.1	K260 L271 L304 L310	K260-A306 VanDerWaalsContact CD-O 3.28Å; K260-A306 WeakPolarHBondContact CD-O 3.4Å; L271-A306 HydrophobicContact CD1-CB 4.18Å; L271-A306 HydrophobicContact CD2-CB 4.18Å; L304-A306 HydrophobicContact CD2-CB 3.62Å; L304-A306 HydrophobicContact CG-CB 3.75Å; L304-A306 PolarHBondContact O-N 3.41Å; A306-L310 HydrophobicContact CB-CD1 4.33Å
307	S	85.5	Confident	77.9	Confident	5 Å²	5	53.2 Å²	53.2	4%	0.035	30%	0.296	C	S	.	.			trans	-59	138.5	168	175	0	0	0	0	110.5	D256 S261 L309 L310	D256-S307 WeakPolarHBondContact OD2-CB 3.49Å; D256-S307 PolarHBondContact OD2-OG 3.14Å; S261-S307 VanDerWaalsContact O-CB 3.32Å; S261-S307 WeakPolarHBondContact O-CB 3.32Å; S307-L309 PolarHBondContact O-N 2.91Å; S307-L309 VanDerWaalsContact O-N 3.16Å; S307-L309 WeakPolarHBondContact OG-CA 3.23Å; S307-L309 WeakPolarHBondContact OG-CB 3.14Å; S307-L309 PolarHBondContact OG-N 2.99Å; S307-L310 WeakPolarHBondContact O-CB 3.17Å; S307-L310 PolarHBondContact O-N 3.4Å; S307-L310 VanDerWaalsContact O-N 3.11Å
308	P	87.3	Confident	80.1	Confident	77 Å²	77	49.2 Å²	49.2	50%	0.5	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-13.2	164.8	28.7	-34.8	0	0	0	112.5	F258	F258-P308 HydrophobicContact CD2-CG 3.89Å; F258-P308 HydrophobicContact CE2-CG 3.67Å
309	L	90.2	Very high	82.1	Confident	18 Å²	18	47.8 Å²	47.8	9%	0.094	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	30.7	173.9	-56.6	175.7	0	0	0	111.8	N172 R262 S307 I311 I340 L341	N172-L309 PolarHBondContact ND2-O 3.38Å; R262-L309 HydrophobicContact CG-CB 4.39Å; R262-L309 WeakPolarHBondContact CG-O 2.91Å; S307-L309 PolarHBondContact O-N 2.91Å; S307-L309 VanDerWaalsContact O-N 3.16Å; S307-L309 WeakPolarHBondContact OG-CA 3.23Å; S307-L309 WeakPolarHBondContact OG-CB 3.14Å; S307-L309 PolarHBondContact OG-N 2.99Å; L309-I311 PolarHBondContact O-N 2.88Å; L309-I340 HydrophobicContact CD2-CG2 4.02Å; L309-L341 HydrophobicContact CD1-CD1 3.97Å; L309-L341 HydrophobicContact CD2-CD1 4.33Å
310	L	91.5	Very high	84	Confident	10 Å²	10	45.9 Å²	45.9	5%	0.052	24%	0.244	C	C	.	.			trans	-53.8	133.9	-179.9	-160.8	76.7	0	0	0	111.2	N172 R262 L271 A306 S307 S312 F313	N172-L310 PolarHBondContact ND2-O 3.42Å; R262-L310 CarbonylContact O-C 3.49Å; R262-L310 VanDerWaalsContact O-CD1 3.25Å; R262-L310 WeakPolarHBondContact O-CD1 2.95Å; L271-L310 HydrophobicContact CD2-CD2 4.45Å; A306-L310 HydrophobicContact CB-CD1 4.33Å; S307-L310 WeakPolarHBondContact O-CB 3.17Å; S307-L310 PolarHBondContact O-N 3.4Å; S307-L310 VanDerWaalsContact O-N 3.11Å; L310-S312 WeakPolarHBondContact CD2-O 3.47Å; L310-F313 HydrophobicContact CD2-CD1 3.69Å; L310-F313 HydrophobicContact CD2-CD2 4.47Å; L310-F313 HydrophobicContact CD2-CE1 3.28Å; L310-F313 HydrophobicContact CD2-CE2 4.14Å; L310-F313 HydrophobicContact CD2-CG 4.27Å; L310-F313 HydrophobicContact CD2-CZ 3.55Å
311	I	94.9	Very high	85.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.			trans	-89.2	-43.8	-178.7	-70.9	164.4	0	0	0	110.6	V168 I169 N172 L173 A176 R262 F263 L309	V168-I311 CarbonylContact C-O 3.5Å; V168-I311 VanDerWaalsContact CA-O 3.26Å; V168-I311 WeakPolarHBondContact CA-O 3.2Å; V168-I311 HydrophobicContact CG1-CG2 3.93Å; V168-I311 WeakPolarHBondContact CG1-O 3.31Å; I169-I311 PolarHBondContact N-O 3.13Å; N172-I311 HydrophobicContact CB-CG1 4.1Å; L173-I311 HydrophobicContact CB-CG1 4.4Å; L173-I311 HydrophobicContact CB-CG2 3.86Å; L173-I311 HydrophobicContact CD1-CD1 4.25Å; L173-I311 HydrophobicContact CD1-CG2 4.18Å; L173-I311 HydrophobicContact CG-CG2 4.43Å; A176-I311 HydrophobicContact CB-CD1 3.7Å; R262-I311 HydrophobicContact CB-CD1 3.58Å; R262-I311 HydrophobicContact CB-CG1 3.86Å; R262-I311 WeakPolarHBondContact O-CB 3.01Å; R262-I311 PolarHBondContact O-N 3.43Å; F263-I311 HydrophobicContact CD1-CG2 4.44Å; F263-I311 HydrophobicContact CD2-CD1 4.11Å; F263-I311 HydrophobicContact CE1-CG2 3.94Å; F263-I311 HydrophobicContact CE2-CD1 3.67Å; F263-I311 HydrophobicContact CE2-CG2 4.3Å; F263-I311 HydrophobicContact CZ-CD1 4.23Å; F263-I311 HydrophobicContact CZ-CG2 3.86Å; L309-I311 PolarHBondContact O-N 2.88Å
312	S	94.2	Very high	87	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	146.9	-170.8	66.3	0	0	0	0	114.4	Y167 F205 F263 S264 L310	Y167-S312 CarbonylContact O-C 3.56Å; Y167-S312 VanDerWaalsContact O-CA 3.28Å; Y167-S312 WeakPolarHBondContact O-CA 3.27Å; F205-S312 WeakPolarHBondContact O-CB 3.39Å; F205-S312 PolarHBondContact O-OG 3.46Å; F263-S312 VanDerWaalsContact CD1-OG 3.32Å; F263-S312 WeakPolarHBondContact CD1-OG 3.44Å; S264-S312 WeakPolarHBondContact CB-O 3.42Å; S264-S312 PolarHBondContact N-O 3.01Å; L310-S312 WeakPolarHBondContact CD2-O 3.47Å
313	F	90.7	Very high	88.4	Confident	17 Å²	17	38.2 Å²	38.2	8%	0.075	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.6	169.5	-58.5	-87.3	0	0	0	109.4	T166 Y167 I169 I268 L271 F272 L310 L316 L324	T166-F313 CarbonylContact C-O 3.46Å; T166-F313 VanDerWaalsContact CA-O 3.25Å; T166-F313 WeakPolarHBondContact CA-O 3.4Å; T166-F313 WeakPolarHBondContact CG2-O 3.31Å; Y167-F313 HydrophobicContact CD1-CD2 4.32Å; Y167-F313 PolarHBondContact N-O 3.28Å; Y167-F313 PolarHBondContact O-N 3.09Å; I169-F313 HydrophobicContact CD1-CE2 4.15Å; I268-F313 HydrophobicContact CD1-CD1 4.26Å; I268-F313 HydrophobicContact CG1-CD1 4.35Å; L271-F313 HydrophobicContact CD2-CE1 4.36Å; F272-F313 HydrophobicContact CE2-CD1 4.42Å; F272-F313 AromaticContact CE2-CE1 3.8Å; F272-F313 HydrophobicContact CE2-CE1 3.8Å; F272-F313 HydrophobicContact CZ-CE1 4.29Å; L310-F313 HydrophobicContact CD2-CD1 3.69Å; L310-F313 HydrophobicContact CD2-CD2 4.47Å; L310-F313 HydrophobicContact CD2-CE1 3.28Å; L310-F313 HydrophobicContact CD2-CE2 4.14Å; L310-F313 HydrophobicContact CD2-CG 4.27Å; L310-F313 HydrophobicContact CD2-CZ 3.55Å; F313-L316 HydrophobicContact CB-CD1 3.86Å; F313-L324 HydrophobicContact CD2-CD1 3.98Å; F313-L324 HydrophobicContact CE2-CD1 4.43Å; F313-L324 HydrophobicContact CE2-CD2 4.47Å; F313-L324 HydrophobicContact CG-CD1 4.25Å
314	G	89.3	Confident	89.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	166.9	174.5	0	0	0	0	0	112.6	T267 I268	T267-G314 WeakPolarHBondContact CA-O 3.41Å; I268-G314 PolarHBondContact N-O 3.26Å
315	G	89.1	Confident	91.2	Very high	32 Å²	32	33.6 Å²	33.6	33%	0.33	19%	0.185	S	C	.	.	S	Bend	trans	72.6	32.4	179.6	0	0	0	0	0	113.3	T165	T165-G315 PolarHBondContact O-N 2.94Å
316	L	92.5	Very high	92.4	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	19%	0.193	C	C	.	.			trans	-91.2	138.9	-179.6	-69.3	163.8	0	0	0	112.3	T165 Y167 I268 F313 R320 M321 L324	T165-L316 WeakPolarHBondContact CB-O 3.16Å; T165-L316 WeakPolarHBondContact O-CB 3.37Å; T165-L316 PolarHBondContact O-N 3.49Å; Y167-L316 HydrophobicContact CG-CD1 4.35Å; I268-L316 HydrophobicContact CB-CD2 4.22Å; I268-L316 HydrophobicContact CD1-CD2 3.73Å; I268-L316 HydrophobicContact CG2-CD2 3.72Å; I268-L316 HydrophobicContact CG2-CG 4.39Å; F313-L316 HydrophobicContact CB-CD1 3.86Å; L316-R320 HydrophobicContact CD2-CB 3.53Å; L316-M321 HydrophobicContact CB-CE 3.92Å; L316-M321 HydrophobicContact CB-CG 3.98Å; L316-M321 HydrophobicContact CD1-CG 4.24Å; L316-L324 HydrophobicContact CD1-CD1 3.75Å; L316-L324 HydrophobicContact CD2-CD1 3.9Å
317	I	94.5	Very high	93.2	Very high	86 Å²	86	41.1 Å²	41.1	44%	0.441	21%	0.212	S	C	.	.			trans	-90.4	157.8	159.9	60	171.7	0	0	0	109.4	V319 R320 M321	I317-V319 HydrophobicContact CD1-CG1 3.45Å; I317-V319 VanDerWaalsContact CD1-CG1 3.45Å; I317-V319 HydrophobicContact CG1-CG1 3.78Å; I317-V319 PolarHBondContact O-N 3.07Å; I317-R320 HydrophobicContact CD1-CG 4.36Å; I317-R320 HydrophobicContact CG1-CB 4.23Å; I317-R320 HydrophobicContact CG1-CG 3.79Å; I317-R320 WeakPolarHBondContact O-CB 3.36Å; I317-R320 PolarHBondContact O-N 3.3Å; I317-M321 PolarHBondContact O-N 2.94Å
318	P	96.8	Very high	93.5	Very high	27 Å²	27	43.2 Å²	43.2	18%	0.175	22%	0.222	C	C	.	.	H	α-helix	trans	-49.6	-47.7	-177	-33	36.5	0	0	0	115.6	T96 H100 R320 M321 Y322	T96-P318 WeakPolarHBondContact O-CG 3.45Å; H100-P318 HydrophobicContact CB-CB 3.95Å; H100-P318 HydrophobicContact CB-CG 4.39Å; H100-P318 VanDerWaalsContact CD2-CB 3.42Å; H100-P318 WeakPolarHBondContact CD2-CB 3.37Å; H100-P318 VanDerWaalsContact CD2-CG 3.41Å; H100-P318 WeakPolarHBondContact CD2-CG 3.46Å; P318-R320 PolarHBondContact O-N 3.33Å; P318-M321 WeakPolarHBondContact O-CB 3.39Å; P318-M321 PolarHBondContact O-N 3.46Å; P318-Y322 VanDerWaalsContact O-CD2 3.23Å; P318-Y322 WeakPolarHBondContact O-CD2 3.46Å; P318-Y322 PolarHBondContact O-N 3.43Å; P318-Y322 VanDerWaalsContact O-N 3.16Å
319	V	96.5	Very high	93.7	Very high	84 Å²	84	41.6 Å²	41.6	51%	0.509	21%	0.206	S	C	.	.	H	α-helix	trans	-58.6	-35.5	-178.9	64.9	0	0	0	0	111.8	I317 Y322 I323	I317-V319 HydrophobicContact CD1-CG1 3.45Å; I317-V319 VanDerWaalsContact CD1-CG1 3.45Å; I317-V319 HydrophobicContact CG1-CG1 3.78Å; I317-V319 PolarHBondContact O-N 3.07Å; V319-Y322 PolarHBondContact O-N 2.9Å; V319-I323 HydrophobicContact CG2-CD1 4.25Å; V319-I323 VanDerWaalsContact O-CG1 3.32Å; V319-I323 WeakPolarHBondContact O-CG1 3.29Å; V319-I323 PolarHBondContact O-N 3.42Å
320	R	94.2	Very high	93.7	Very high	80 Å²	80	46 Å²	46	30%	0.302	23%	0.226	S	C	.	.	H	α-helix	trans	-72.8	-31.4	177.1	-67.6	-179	178.5	178.3	-12.6	112.7	N269 L316 I317 P318 Y322 I323 L324	N269-R320 PolarHBondContact ND2-NH1 3.25Å; N269-R320 VanDerWaalsContact ND2-NH1 3.18Å; N269-R320 PolarHBondContact OD1-NH1 3.38Å; N269-R320 PolarHBondContact OD1-NH2 2.72Å; L316-R320 HydrophobicContact CD2-CB 3.53Å; I317-R320 HydrophobicContact CD1-CG 4.36Å; I317-R320 HydrophobicContact CG1-CB 4.23Å; I317-R320 HydrophobicContact CG1-CG 3.79Å; I317-R320 WeakPolarHBondContact O-CB 3.36Å; I317-R320 PolarHBondContact O-N 3.3Å; P318-R320 PolarHBondContact O-N 3.33Å; R320-Y322 VanDerWaalsContact C-N 3.31Å; R320-I323 PolarHBondContact O-N 2.95Å; R320-L324 WeakPolarHBondContact O-CG 3.37Å; R320-L324 PolarHBondContact O-N 3.33Å
321	M	96.8	Very high	93.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.7	-42.3	171.6	-61.3	-179.5	176	0	0	110.9	H100 V101 T104 D164 Y167 L316 I317 P318 L324 E325	H100-M321 HydrophobicContact CB-SD 4.44Å; V101-M321 HydrophobicContact CG2-CE 3.71Å; V101-M321 HydrophobicContact CG2-SD 3.8Å; T104-M321 HydrophobicContact CG2-CB 4.28Å; D164-M321 WeakPolarHBondContact O-CE 3.28Å; Y167-M321 HydrophobicContact CD2-CB 4.04Å; Y167-M321 HydrophobicContact CD2-CG 4.34Å; Y167-M321 WeakPolarHBondContact CE2-O 3.35Å; L316-M321 HydrophobicContact CB-CE 3.92Å; L316-M321 HydrophobicContact CB-CG 3.98Å; L316-M321 HydrophobicContact CD1-CG 4.24Å; I317-M321 PolarHBondContact O-N 2.94Å; P318-M321 WeakPolarHBondContact O-CB 3.39Å; P318-M321 PolarHBondContact O-N 3.46Å; M321-L324 PolarHBondContact O-N 3.04Å; M321-E325 PolarHBondContact O-N 3.37Å
322	Y	97.7	Very high	93.2	Very high	93 Å²	93	53.8 Å²	53.8	37%	0.365	26%	0.26	S	S	.	.	H	α-helix	trans	-68.9	-38	175.8	-68.8	-66	0	0	0	113.1	H100 T103 T104 P318 V319 R320 L324 E325 Y326	H100-Y322 HydrophobicContact CB-CE2 4.17Å; H100-Y322 AromaticContact CG-CE2 4Å; H100-Y322 AromaticContact ND1-CE2 3.32Å; H100-Y322 VanDerWaalsContact ND1-CE2 3.32Å; H100-Y322 WeakPolarHBondContact ND1-CE2 3.44Å; H100-Y322 AromaticContact ND1-CZ 3.5Å; H100-Y322 PolarHBondContact ND1-OH 2.93Å; T103-Y322 PolarHBondContact OG1-OH 3.4Å; T104-Y322 HydrophobicContact CG2-CD1 3.52Å; T104-Y322 HydrophobicContact CG2-CE1 3.44Å; T104-Y322 VanDerWaalsContact CG2-CE1 3.44Å; T104-Y322 HydrophobicContact CG2-CG 4.25Å; P318-Y322 VanDerWaalsContact O-CD2 3.23Å; P318-Y322 WeakPolarHBondContact O-CD2 3.46Å; P318-Y322 PolarHBondContact O-N 3.43Å; P318-Y322 VanDerWaalsContact O-N 3.16Å; V319-Y322 PolarHBondContact O-N 2.9Å; R320-Y322 VanDerWaalsContact C-N 3.31Å; Y322-L324 VanDerWaalsContact C-N 3.35Å; Y322-E325 PolarHBondContact O-N 3.29Å; Y322-Y326 WeakPolarHBondContact O-CB 3.48Å; Y322-Y326 PolarHBondContact O-N 3.13Å
323	I	96.2	Very high	92.9	Very high	86 Å²	86	57.3 Å²	57.3	44%	0.441	28%	0.283	S	S	.	.	H	α-helix	trans	-59.8	-47.6	173	-69.6	165.4	0	0	0	109.9	V319 R320 Y326 L327	V319-I323 HydrophobicContact CG2-CD1 4.25Å; V319-I323 VanDerWaalsContact O-CG1 3.32Å; V319-I323 WeakPolarHBondContact O-CG1 3.29Å; V319-I323 PolarHBondContact O-N 3.42Å; R320-I323 PolarHBondContact O-N 2.95Å; I323-Y326 PolarHBondContact O-N 3.33Å; I323-L327 HydrophobicContact CG2-CD1 3.67Å; I323-L327 HydrophobicContact CG2-CG 4.16Å; I323-L327 WeakPolarHBondContact O-CB 3.38Å; I323-L327 VanDerWaalsContact O-CG 3.24Å; I323-L327 WeakPolarHBondContact O-CG 3.43Å; I323-L327 PolarHBondContact O-N 3.15Å
324	L	94.9	Very high	92.7	Very high	20 Å²	20	63.6 Å²	63.6	11%	0.105	32%	0.322	C	S	.	.	H	α-helix	trans	-60	-47.1	175.8	-71.6	174.4	0	0	0	111.7	Y167 I268 F313 L316 R320 M321 Y322 Y326 L327 I328	Y167-L324 HydrophobicContact CD1-CB 4.48Å; Y167-L324 HydrophobicContact CD1-CD1 4.2Å; Y167-L324 HydrophobicContact CD2-CB 4.46Å; Y167-L324 HydrophobicContact CE1-CB 4.33Å; Y167-L324 HydrophobicContact CE2-CB 4.31Å; Y167-L324 HydrophobicContact CG-CD1 4.05Å; I268-L324 HydrophobicContact CD1-CD1 4.05Å; I268-L324 HydrophobicContact CD1-CD2 4.17Å; I268-L324 HydrophobicContact CD1-CG 4.41Å; F313-L324 HydrophobicContact CD2-CD1 3.98Å; F313-L324 HydrophobicContact CE2-CD1 4.43Å; F313-L324 HydrophobicContact CE2-CD2 4.47Å; F313-L324 HydrophobicContact CG-CD1 4.25Å; L316-L324 HydrophobicContact CD1-CD1 3.75Å; L316-L324 HydrophobicContact CD2-CD1 3.9Å; R320-L324 WeakPolarHBondContact O-CG 3.37Å; R320-L324 PolarHBondContact O-N 3.33Å; M321-L324 PolarHBondContact O-N 3.04Å; Y322-L324 VanDerWaalsContact C-N 3.35Å; L324-Y326 VanDerWaalsContact C-N 3.31Å; L324-Y326 PolarHBondContact O-N 3.01Å; L324-L327 PolarHBondContact O-N 3.45Å; L324-I328 HydrophobicContact CB-CD1 4.23Å; L324-I328 VanDerWaalsContact O-CB 3.3Å; L324-I328 WeakPolarHBondContact O-CB 3.2Å; L324-I328 WeakPolarHBondContact O-CD1 3.37Å; L324-I328 WeakPolarHBondContact O-CG1 3.34Å; L324-I328 PolarHBondContact O-N 3.23Å
325	E	96.3	Very high	92.6	Very high	9 Å²	9	67.3 Å²	67.3	4%	0.042	36%	0.361	C	S	.	.	H	α-helix	trans	-56.2	-47.1	176.7	-171.9	76.6	-158.6	0	0	111	T104 R107 R108 Y167 M321 Y322 Y329 H330	T104-E325 HydrophobicContact CG2-CB 4.47Å; R107-E325 IonicContact CZ-OE1 2.73Å; R107-E325 IonicContact NE-OE1 2.89Å; R107-E325 IonicContact NH2-OE1 3.87Å; R107-E325 PolarHBondContact NH2-OE1 3.39Å; R108-E325 IonicContact CZ-OE1 2.79Å; R108-E325 IonicContact NE-OE1 2.84Å; R108-E325 IonicContact NH2-OE1 3.96Å; R108-E325 PolarHBondContact NH2-OE1 3.3Å; Y167-E325 HydrophobicContact CE2-CB 4.37Å; Y167-E325 WeakPolarHBondContact OH-CA 3.15Å; Y167-E325 PolarHBondContact OH-OE2 2.94Å; M321-E325 PolarHBondContact O-N 3.37Å; Y322-E325 PolarHBondContact O-N 3.29Å; E325-Y329 HydrophobicContact CG-CD2 4.34Å; E325-Y329 WeakPolarHBondContact O-CB 3.41Å; E325-Y329 PolarHBondContact O-N 2.96Å; E325-Y329 WeakPolarHBondContact OE1-CD2 3.42Å; E325-H330 PolarHBondContact O-CD2 3.42Å
326	Y	95.6	Very high	92.2	Very high	127 Å²	127	70.4 Å²	70.4	50%	0.498	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-51.2	178.9	-177.2	-106.2	0	0	0	111.8	Y322 I323 L324 I328 H330 L331	Y322-Y326 WeakPolarHBondContact O-CB 3.48Å; Y322-Y326 PolarHBondContact O-N 3.13Å; I323-Y326 PolarHBondContact O-N 3.33Å; L324-Y326 VanDerWaalsContact C-N 3.31Å; L324-Y326 PolarHBondContact O-N 3.01Å; Y326-I328 VanDerWaalsContact C-N 3.33Å; Y326-I328 PolarHBondContact O-N 3.27Å; Y326-H330 HydrophobicContact CD2-CB 3.56Å; Y326-H330 HydrophobicContact CE2-CB 3.89Å; Y326-H330 HydrophobicContact CG-CB 4.34Å; Y326-H330 CarbonylContact O-C 3.53Å; Y326-H330 WeakPolarHBondContact O-CA 3.33Å; Y326-H330 WeakPolarHBondContact O-CB 3.37Å; Y326-H330 PolarHBondContact O-N 3.26Å; Y326-L331 HydrophobicContact CD1-CB 4.15Å; Y326-L331 HydrophobicContact CE1-CB 3.81Å; Y326-L331 HydrophobicContact CE1-CD1 4.04Å; Y326-L331 HydrophobicContact CE1-CD2 4.32Å; Y326-L331 HydrophobicContact CE1-CG 4.27Å; Y326-L331 PolarHBondContact O-N 2.83Å
327	L	93.3	Very high	91.5	Very high	90 Å²	90	76 Å²	76	47%	0.471	40%	0.403	S	S	.	.	H	α-helix	trans	-65.1	-36.1	-177.8	-66.3	178	0	0	0	112.5	I323 L324 L331	I323-L327 HydrophobicContact CG2-CD1 3.67Å; I323-L327 HydrophobicContact CG2-CG 4.16Å; I323-L327 WeakPolarHBondContact O-CB 3.38Å; I323-L327 VanDerWaalsContact O-CG 3.24Å; I323-L327 WeakPolarHBondContact O-CG 3.43Å; I323-L327 PolarHBondContact O-N 3.15Å; L324-L327 PolarHBondContact O-N 3.45Å; L327-L331 HydrophobicContact CD2-CB 4.46Å; L327-L331 HydrophobicContact CD2-CD2 3.46Å; L327-L331 VanDerWaalsContact CD2-CD2 3.46Å
328	I	91.8	Very high	90.4	Very high	49 Å²	49	79 Å²	79	25%	0.251	42%	0.415	S	S	.	.	H	α-helix	trans	-80.8	-44.6	-177.6	-62.7	164.4	0	0	0	111	Y167 I169 L324 Y326 R332	Y167-I328 HydrophobicContact CE1-CD1 3.97Å; I169-I328 HydrophobicContact CD1-CD1 3.77Å; I169-I328 HydrophobicContact CG1-CD1 4.12Å; L324-I328 HydrophobicContact CB-CD1 4.23Å; L324-I328 VanDerWaalsContact O-CB 3.3Å; L324-I328 WeakPolarHBondContact O-CB 3.2Å; L324-I328 WeakPolarHBondContact O-CD1 3.37Å; L324-I328 WeakPolarHBondContact O-CG1 3.34Å; L324-I328 PolarHBondContact O-N 3.23Å; Y326-I328 VanDerWaalsContact C-N 3.33Å; Y326-I328 PolarHBondContact O-N 3.27Å; I328-R332 PolarHBondContact O-NH1 3.39Å; I328-R332 PolarHBondContact O-NH2 2.98Å; I328-R332 VanDerWaalsContact O-NH2 3.1Å
329	Y	91	Very high	89.1	Confident	44 Å²	44	87.6 Å²	87.6	17%	0.173	44%	0.444	C	S	.	.	H	α-helix	trans	-111.4	-13.2	-166.8	-60.8	-71.4	0	0	0	115.5	R108 Y167 E171 E325 R332	R108-Y329 VanDerWaalsContact CZ-CE1 3.42Å; R108-Y329 VanDerWaalsContact NH2-CD1 3.32Å; Y167-Y329 WeakPolarHBondContact OH-CE2 3.49Å; E171-Y329 PolarHBondContact OE2-OH 3.36Å; E325-Y329 HydrophobicContact CG-CD2 4.34Å; E325-Y329 WeakPolarHBondContact O-CB 3.41Å; E325-Y329 PolarHBondContact O-N 2.96Å; E325-Y329 WeakPolarHBondContact OE1-CD2 3.42Å; Y329-R332 PolarHBondContact O-NH2 3.31Å
330	H	89.3	Confident	87.5	Confident	109 Å²	109	88 Å²	88	51%	0.505	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-46.6	-172.1	-61.4	-81.1	0	0	0	113.1	E325 Y326	E325-H330 PolarHBondContact O-CD2 3.42Å; Y326-H330 HydrophobicContact CD2-CB 3.56Å; Y326-H330 HydrophobicContact CE2-CB 3.89Å; Y326-H330 HydrophobicContact CG-CB 4.34Å; Y326-H330 CarbonylContact O-C 3.53Å; Y326-H330 WeakPolarHBondContact O-CA 3.33Å; Y326-H330 WeakPolarHBondContact O-CB 3.37Å; Y326-H330 PolarHBondContact O-N 3.26Å
331	L	90.9	Very high	85.9	Confident	69 Å²	69	87.4 Å²	87.4	36%	0.361	44%	0.444	S	S	.	.			trans	-73.1	129.5	179.7	-173	65.5	0	0	0	110.5	Y326 L327	Y326-L331 HydrophobicContact CD1-CB 4.15Å; Y326-L331 HydrophobicContact CE1-CB 3.81Å; Y326-L331 HydrophobicContact CE1-CD1 4.04Å; Y326-L331 HydrophobicContact CE1-CD2 4.32Å; Y326-L331 HydrophobicContact CE1-CG 4.27Å; Y326-L331 PolarHBondContact O-N 2.83Å; L327-L331 HydrophobicContact CD2-CB 4.46Å; L327-L331 HydrophobicContact CD2-CD2 3.46Å; L327-L331 VanDerWaalsContact CD2-CD2 3.46Å
332	R	85.4	Confident	83.8	Confident	106 Å²	106	92.8 Å²	92.8	40%	0.4	47%	0.469	S	S	.	.			trans	-134.3	98.8	178.8	-62.7	-65.8	177.4	-104.9	9.3	109.6	I328 Y329 V334	I328-R332 PolarHBondContact O-NH1 3.39Å; I328-R332 PolarHBondContact O-NH2 2.98Å; I328-R332 VanDerWaalsContact O-NH2 3.1Å; Y329-R332 PolarHBondContact O-NH2 3.31Å; R332-V334 PolarHBondContact O-N 2.6Å
333	P	87.4	Confident	81.5	Confident	74 Å²	74	93.3 Å²	93.3	48%	0.481	48%	0.475	S	S	.	.			trans	-61.2	133.7	172.4	-20.9	32.8	0	0	0	110.7	I336	P333-I336 HydrophobicContact CB-CD1 3.74Å; P333-I336 HydrophobicContact CB-CG1 4.14Å; P333-I336 HydrophobicContact CG-CD1 4.22Å
334	V	87.4	Confident	79	Confident	148 Å²	148	96 Å²	96	90%	0.897	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	138.1	-178.8	178.9	0	0	0	0	110.3	R332 I336	R332-V334 PolarHBondContact O-N 2.6Å; V334-I336 VanDerWaalsContact C-N 3.31Å; V334-I336 PolarHBondContact O-N 2.94Å
335	G	86.3	Confident	76.5	Confident	79 Å²	79	97 Å²	97	81%	0.814	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-4.4	177.5	0	0	0	0	0	115.3
336	I	82.2	Confident	74	Confident	97 Å²	97	105.6 Å²	105.6	50%	0.497	53%	0.531	S	S	.	.			trans	-96.5	122.3	176.9	-55	-170.9	0	0	0	109.8	P333 V334 H338	P333-I336 HydrophobicContact CB-CD1 3.74Å; P333-I336 HydrophobicContact CB-CG1 4.14Å; P333-I336 HydrophobicContact CG-CD1 4.22Å; V334-I336 VanDerWaalsContact C-N 3.31Å; V334-I336 PolarHBondContact O-N 2.94Å; I336-H338 WeakPolarHBondContact CG2-NE2 3.46Å
337	T	76.5	Confident	71.3	Confident	120 Å²	120	103.6 Å²	103.6	74%	0.736	54%	0.535	S	S	*	.			trans	-121.7	135.2	170.9	60.8	0	0	0	0	110
338	H	72.1	Confident	68.7	Low	148 Å²	148	103.1 Å²	103.1	69%	0.685	53%	0.533	S	S	*	.			trans	-108.1	118.9	178.6	-58.7	-71.5	0	0	0	109.4	I336	I336-H338 WeakPolarHBondContact CG2-NE2 3.46Å
339	R	68.7	Low	66.2	Low	208 Å²	208	104.3 Å²	104.3	79%	0.785	55%	0.545	S	S	*	.			trans	-114.2	66.1	172.5	-65.7	-174.4	-175.1	-176.5	1.4	109.5
340	I	63.7	Low	63.7	Low	92 Å²	92	105.7 Å²	105.7	47%	0.472	56%	0.561	S	S	.	*	S	Bend	trans	-106.1	101.8	172.2	-57.5	173.3	0	0	0	104.5	L309	L309-I340 HydrophobicContact CD2-CG2 4.02Å
341	L	60.6	Low	61.3	Low	67 Å²	67	102.9 Å²	102.9	35%	0.351	55%	0.554	S	S	.	*	S	Bend	trans	76.2	34.8	172.6	-47.7	166.8	0	0	0	117.8	L309 H343	L309-L341 HydrophobicContact CD1-CD1 3.97Å; L309-L341 HydrophobicContact CD2-CD1 4.33Å; L341-H343 PolarHBondContact O-N 3.34Å
342	Q	51.9	Low	58.7	Low	113 Å²	113	106.8 Å²	106.8	53%	0.528	57%	0.572	S	S	.	*			trans	-70.4	100.1	154.5	-74.9	-178.7	-11.2	0	0	107.5	L344	Q342-L344 PolarHBondContact O-N 3.44Å
343	H	50.3	Low	56.3	Low	104 Å²	104	108.3 Å²	108.3	48%	0.481	59%	0.589	S	S	.	*			trans	-54.9	126.8	149.1	-77.2	-63.9	0	0	0	105.7	Y73 L341	Y73-H343 AromaticContact CE2-CD2 3.89Å; L341-H343 PolarHBondContact O-N 3.34Å
344	L	43	Very low	54.1	Low	142 Å²	142	114.7 Å²	114.7	74%	0.743	60%	0.603	S	S	*	*			trans	-39.7	130.2	175.3	-81.2	158.3	0	0	0	108.4	Q342 Y346 L348	Q342-L344 PolarHBondContact O-N 3.44Å; L344-Y346 PolarHBondContact O-N 2.93Å; L344-Y346 VanDerWaalsContact O-N 3.14Å; L344-L348 HydrophobicContact CD2-CD1 4.48Å
345	P	42.3	Very low	52	Low	42 Å²	42	117.9 Å²	117.9	27%	0.273	60%	0.6	S	S	.	*			trans	-41.3	126.7	-176.7	-28.6	28	0	0	0	110	S347 L348	P345-S347 WeakPolarHBondContact CB-OG 3.44Å; P345-S347 PolarHBondContact O-N 3Å; P345-L348 HydrophobicContact CB-CD1 4.31Å; P345-L348 HydrophobicContact CG-CD1 4.02Å; P345-L348 PolarHBondContact O-N 3.32Å
346	Y	44.5	Very low	49.6	Very low	190 Å²	190	124.8 Å²	124.8	75%	0.745	60%	0.602	S	S	*	*	H	α-helix	trans	-55.1	-13.1	174.7	-102	-93.3	0	0	0	112.2	L344 S349	L344-Y346 PolarHBondContact O-N 2.93Å; L344-Y346 VanDerWaalsContact O-N 3.14Å; Y346-S349 PolarHBondContact O-OG 3.22Å
347	S	38.7	Very low	47.4	Very low	84 Å²	84	132.4 Å²	132.4	59%	0.587	64%	0.635	S	S	*	*	H	α-helix	trans	-76.4	-15.3	170.9	57.9	0	0	0	0	115.3	P345 S350	P345-S347 WeakPolarHBondContact CB-OG 3.44Å; P345-S347 PolarHBondContact O-N 3Å; S347-S350 PolarHBondContact O-OG 3.44Å
348	L	39	Very low	46	Very low	81 Å²	81	133.1 Å²	133.1	42%	0.424	63%	0.63	S	S	.	*	H	α-helix	trans	-87.3	-23.1	174.9	-80.6	157.5	0	0	0	112.7	L344 P345 S350 S351 M352	L344-L348 HydrophobicContact CD2-CD1 4.48Å; P345-L348 HydrophobicContact CB-CD1 4.31Å; P345-L348 HydrophobicContact CG-CD1 4.02Å; P345-L348 PolarHBondContact O-N 3.32Å; L348-S350 VanDerWaalsContact C-N 3.3Å; L348-S350 PolarHBondContact O-N 3.13Å; L348-S351 WeakPolarHBondContact CA-OG 3.45Å; L348-S351 PolarHBondContact O-N 3.43Å; L348-S351 PolarHBondContact O-OG 3.32Å; L348-M352 PolarHBondContact O-N 2.87Å; L348-M352 VanDerWaalsContact O-N 3.09Å
349	S	38.5	Very low	44.6	Very low	73 Å²	73	132.3 Å²	132.3	51%	0.51	63%	0.628	S	S	.	*	H	α-helix	trans	-71.4	-26.4	174	66.3	0	0	0	0	112.4	Y346	Y346-S349 PolarHBondContact O-OG 3.22Å
350	S	38.2	Very low	43.3	Very low	73 Å²	73	128.1 Å²	128.1	51%	0.51	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86	-17.7	174.4	66.8	0	0	0	0	113.9	S347 L348	S347-S350 PolarHBondContact O-OG 3.44Å; L348-S350 VanDerWaalsContact C-N 3.3Å; L348-S350 PolarHBondContact O-N 3.13Å
351	S	39.6	Very low	42.1	Very low	51 Å²	51	130.2 Å²	130.2	36%	0.357	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.2	-27.7	174.5	64	0	0	0	0	113.3	L348 N353 R354	L348-S351 WeakPolarHBondContact CA-OG 3.45Å; L348-S351 PolarHBondContact O-N 3.43Å; L348-S351 PolarHBondContact O-OG 3.32Å; S351-N353 PolarHBondContact O-N 3.41Å; S351-R354 PolarHBondContact O-N 3.46Å; S351-R354 VanDerWaalsContact O-N 3.16Å
352	M	35.5	Very low	40.9	Very low	151 Å²	151	134.1 Å²	134.1	74%	0.744	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-67.9	-19.8	173.4	-76.3	-176.6	96.9	0	0	113.6	L348 R354	L348-M352 PolarHBondContact O-N 2.87Å; L348-M352 VanDerWaalsContact O-N 3.09Å; M352-R354 VanDerWaalsContact C-N 3.33Å
353	N	36.8	Very low	40.2	Very low	138 Å²	138	135.5 Å²	135.5	74%	0.738	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-85	0.6	173.3	-85.5	-10.2	0	0	0	114.5	S351	S351-N353 PolarHBondContact O-N 3.41Å
354	R	40.1	Very low	39.4	Very low	208 Å²	208	137.8 Å²	137.8	79%	0.785	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-103.3	1.6	176.9	-113.4	-171.2	-72.4	-175.4	-2.7	115.4	S351 M352	S351-R354 PolarHBondContact O-N 3.46Å; S351-R354 VanDerWaalsContact O-N 3.16Å; M352-R354 VanDerWaalsContact C-N 3.33Å
355	Y	43.4	Very low	39.2	Very low	214 Å²	214	137.5 Å²	137.5	84%	0.839	66%	0.659	S	S	*	*	S	Bend	trans	-116.6	24.1	173.1	-82.3	-78.9	0	0	0	113.3
356	R	36.8	Very low	38.9	Very low	225 Å²	225	145.4 Å²	145.4	85%	0.849	69%	0.691	S	S	*	*			trans	-129.1	62.3	166.7	-79	-171.7	176.5	174.7	-1	110.8
357	Q	35.6	Very low	38.4	Very low	257 Å²	257	141.4 Å²	141.4	100%	1.201	69%	0.686	S	S	*	*			trans	-141.4	0	147.1	-75.6	-173.1	-12.6	0	0	105.5

Retrieved 357 of 357 residues in 170.3 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).