A0A096NUV3_PAPAN Loading...

Protein N-lysine methyltransferase METTL21D

Protein N-lysine methyltransferase that specifically trimethylates 'Lys-315' of VCP/p97; this modification may decrease VCP ATPase activity.

AlphaFold DB , UniProt , Accession A0A096NUV3, Species PAPAN (Papio anubis, Olive baboon), Gene VCPKMT, Length 229 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	39.8	Very low	48.1	Very low	250 Å²	250	134.5 Å²	134.5	100%	1.232	80%	0.795	S	S	*	*				0	100.7	0	-73	-163.4	-95.8	0	0	107
2	A	37.6	Very low	49.2	Very low	104 Å²	104	130.1 Å²	130.1	86%	0.86	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-88.2	118.6	176.1	0	0	0	0	0	107.5	T4	A2-T4 PolarHBondContact O-N 3.13Å
3	A	44.2	Very low	50.7	Low	98 Å²	98	124.8 Å²	124.8	81%	0.81	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-63.9	126.1	172.7	0	0	0	0	0	108.9
4	T	40.8	Very low	52	Low	127 Å²	127	127.1 Å²	127.1	78%	0.779	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-61.8	134.1	165.8	35.8	0	0	0	0	108.9	A2 E6	A2-T4 PolarHBondContact O-N 3.13Å; T4-E6 PolarHBondContact O-N 3.44Å
5	P	44.7	Very low	53.4	Low	124 Å²	124	124.9 Å²	124.9	81%	0.805	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-68	124.8	177.1	6.1	5.9	0	0	0	108.6	S7	P5-S7 PolarHBondContact O-N 3.2Å
6	E	47.7	Very low	55.6	Low	189 Å²	189	123.2 Å²	123.2	88%	0.883	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-58.2	120.6	164.7	-74.7	176.4	159.8	0	0	108.2	T4 S8	T4-E6 PolarHBondContact O-N 3.44Å; E6-S8 PolarHBondContact O-N 2.69Å; E6-S8 VanDerWaalsContact O-N 3.09Å
7	S	48.7	Very low	57.8	Low	93 Å²	93	118.1 Å²	118.1	65%	0.65	68%	0.677	S	S	*	*			trans	-60.4	109.7	174.8	162.3	0	0	0	0	109.4	P5 L9	P5-S7 PolarHBondContact O-N 3.2Å; S7-L9 PolarHBondContact O-N 3.34Å
8	S	49.5	Very low	59.9	Low	124 Å²	124	116.4 Å²	116.4	87%	0.867	66%	0.658	S	S	*	*			trans	-80.3	20.8	178	53.7	0	0	0	0	114.3	E6	E6-S8 PolarHBondContact O-N 2.69Å; E6-S8 VanDerWaalsContact O-N 3.09Å
9	L	52.3	Low	61.9	Low	127 Å²	127	114.8 Å²	114.8	67%	0.665	65%	0.65	S	S	*	*	S	Bend	trans	-88	118.3	172.3	-67.5	166.4	0	0	0	108.3	S7 D11	S7-L9 PolarHBondContact O-N 3.34Å; L9-D11 PolarHBondContact O-N 3.04Å
10	E	61.1	Low	63.7	Low	152 Å²	152	109.4 Å²	109.4	71%	0.71	62%	0.619	S	S	*	*	S	Bend	trans	-43.9	135.7	162.8	-70	-174.5	122.3	0	0	109.2	R14	E10-R14 IonicContact OE1-NH1 3.37Å; E10-R14 PolarHBondContact OE1-NH1 3.43Å
11	D	62.6	Low	65.4	Low	91 Å²	91	109.3 Å²	109.3	49%	0.487	61%	0.614	S	S	.	*			trans	-18.4	104.1	-175	180	1.9	0	0	0	112.9	L9 L13 R14	L9-D11 PolarHBondContact O-N 3.04Å; D11-L13 PolarHBondContact O-N 3.27Å; D11-L13 WeakPolarHBondContact OD1-CB 3.42Å; D11-L13 PolarHBondContact OD1-N 3.31Å; D11-R14 HydrophobicContact CB-CG 4.09Å; D11-R14 VanDerWaalsContact O-CB 3.3Å; D11-R14 WeakPolarHBondContact O-CB 3.31Å; D11-R14 PolarHBondContact O-N 3.4Å
12	P	62	Low	68.2	Low	82 Å²	82	97.7 Å²	97.7	53%	0.532	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-55	-19.1	-172.4	-26.9	33.4	0	0	0	114.1	S15	P12-S15 PolarHBondContact O-OG 3.07Å
13	L	68.1	Low	71	Confident	62 Å²	62	100.6 Å²	100.6	33%	0.325	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-82.7	-11.8	178.4	-59.5	-178.9	0	0	0	113.5	D11 S15 F16 Q31 Y33	D11-L13 PolarHBondContact O-N 3.27Å; D11-L13 WeakPolarHBondContact OD1-CB 3.42Å; D11-L13 PolarHBondContact OD1-N 3.31Å; L13-S15 PolarHBondContact O-N 3.27Å; L13-F16 PolarHBondContact O-N 2.82Å; L13-Q31 PolarHBondContact O-NE2 3.32Å; L13-Q31 PolarHBondContact O-OE1 3.49Å; L13-Y33 HydrophobicContact CD2-CD1 3.35Å; L13-Y33 HydrophobicContact CD2-CD2 4.35Å; L13-Y33 HydrophobicContact CD2-CE1 3.63Å; L13-Y33 HydrophobicContact CD2-CG 3.74Å
14	R	68.8	Low	73.6	Confident	156 Å²	156	101.2 Å²	101.2	59%	0.589	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-62	-30	174.1	-84.3	-179.3	168.8	-177.7	-1.2	112.9	E10 D11 F16 V17	E10-R14 IonicContact OE1-NH1 3.37Å; E10-R14 PolarHBondContact OE1-NH1 3.43Å; D11-R14 HydrophobicContact CB-CG 4.09Å; D11-R14 VanDerWaalsContact O-CB 3.3Å; D11-R14 WeakPolarHBondContact O-CB 3.31Å; D11-R14 PolarHBondContact O-N 3.4Å; R14-F16 PolarHBondContact O-N 3.09Å; R14-V17 PolarHBondContact O-N 2.85Å
15	S	73.3	Confident	76.3	Confident	95 Å²	95	97.2 Å²	97.2	66%	0.664	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-69.9	-14.6	-178.8	59.8	0	0	0	0	113.7	P12 L13	P12-S15 PolarHBondContact O-OG 3.07Å; L13-S15 PolarHBondContact O-N 3.27Å
16	F	88.5	Confident	78.9	Confident	97 Å²	97	93.7 Å²	93.7	43%	0.425	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-101.1	11.9	-179.6	-62.1	-75	0	0	0	113.4	L13 R14 Q31 Q32 Y33	L13-F16 PolarHBondContact O-N 2.82Å; R14-F16 PolarHBondContact O-N 3.09Å; F16-Q31 VanDerWaalsContact CB-OE1 3.29Å; F16-Q31 PolarHBondContact O-OE1 2.94Å; F16-Q31 VanDerWaalsContact O-OE1 3.05Å; F16-Q32 WeakPolarHBondContact O-CB 3.31Å; F16-Q32 WeakPolarHBondContact O-CG 3.47Å; F16-Q32 PolarHBondContact O-N 2.81Å; F16-Y33 HydrophobicContact CD2-CD2 4.15Å; F16-Y33 HydrophobicContact CD2-CG 4.45Å; F16-Y33 HydrophobicContact CE2-CD2 4.29Å; F16-Y33 HydrophobicContact CG-CD2 4.41Å
17	V	93.3	Very high	81.3	Confident	36 Å²	36	87 Å²	87	22%	0.218	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	118.7	177.4	179.5	0	0	0	0	110.2	R14 R29 L30 M110	R14-V17 PolarHBondContact O-N 2.85Å; V17-R29 HydrophobicContact CG1-CB 3.78Å; V17-R29 HydrophobicContact CG1-CG 4.34Å; V17-L30 CarbonylContact C-O 3.53Å; V17-L30 WeakPolarHBondContact CA-O 3.12Å; V17-M110 HydrophobicContact CG1-CE 4.27Å; V17-M110 HydrophobicContact CG2-CE 4.19Å
18	R	95.9	Very high	83.7	Confident	89 Å²	89	82.6 Å²	82.6	34%	0.336	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.9	165	-178.6	63.9	173.5	-92.6	15.2	109.7	L30 Q32 V42	R18-L30 HydrophobicContact CB-CB 4.39Å; R18-L30 PolarHBondContact N-O 3.23Å; R18-L30 PolarHBondContact O-N 2.73Å; R18-Q32 HydrophobicContact CB-CG 4.19Å; R18-V42 HydrophobicContact CB-CB 4.29Å; R18-V42 HydrophobicContact CB-CG2 3.77Å; R18-V42 HydrophobicContact CG-CB 3.95Å; R18-V42 HydrophobicContact CG-CG1 4.28Å; R18-V42 HydrophobicContact CG-CG2 3.88Å
19	V	97.6	Very high	86	Confident	85 Å²	85	81.8 Å²	81.8	52%	0.515	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.6	176.2	169.3	0	0	0	0	108	V27 L28	V19-V27 HydrophobicContact CB-CG1 4.35Å; V19-V27 HydrophobicContact CG1-CG1 3.42Å; V19-V27 VanDerWaalsContact CG1-CG1 3.42Å; V19-L28 WeakPolarHBondContact CA-O 3.29Å
20	L	98.4	Very high	88.1	Confident	7 Å²	7	75.8 Å²	75.8	4%	0.037	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	112.9	173.7	177.8	62.2	0	0	0	109.1	L28 I47 K51 M84	L20-L28 HydrophobicContact CB-CB 4.27Å; L20-L28 HydrophobicContact CD2-CD1 4.43Å; L20-L28 PolarHBondContact N-O 3.49Å; L20-L28 PolarHBondContact O-N 2.86Å; L20-I47 HydrophobicContact CD1-CG2 3.99Å; L20-K51 HydrophobicContact CD1-CD 4.02Å; L20-K51 HydrophobicContact CD1-CG 4.35Å; L20-M84 HydrophobicContact CD2-CE 4.08Å; L20-M84 HydrophobicContact CG-CE 4.45Å
21	E	98.6	Very high	89.7	Confident	107 Å²	107	69 Å²	69	50%	0.5	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129.6	179.6	-173	172.2	-179.3	0	0	111	V27 K51	E21-V27 HydrophobicContact CG-CG2 4.5Å; E21-K51 PolarHBondContact O-NZ 3.34Å
22	K	98.7	Very high	91.1	Very high	7 Å²	7	67 Å²	67	3%	0.03	34%	0.339	C	S	.	.			trans	-82.4	158.7	173.5	-69.7	178.3	47.7	58.5	0	110.4	D24 G25 T26 L28 E54 M84 T87	K22-D24 WeakPolarHBondContact CB-OD1 3.44Å; K22-D24 PolarHBondContact O-N 2.85Å; K22-D24 VanDerWaalsContact O-N 3.12Å; K22-G25 PolarHBondContact O-N 2.93Å; K22-T26 WeakPolarHBondContact CB-O 3.47Å; K22-T26 WeakPolarHBondContact CD-OG1 3.4Å; K22-T26 WeakPolarHBondContact CE-OG1 3.38Å; K22-T26 PolarHBondContact N-O 3.37Å; K22-L28 HydrophobicContact CD-CG 4.31Å; K22-L28 HydrophobicContact CG-CG 4.45Å; K22-E54 WeakPolarHBondContact CA-OE2 3.28Å; K22-E54 WeakPolarHBondContact CB-OE1 3.36Å; K22-E54 IonicContact NZ-OE1 2.7Å; K22-E54 PolarHBondContact NZ-OE1 2.65Å; K22-M84 HydrophobicContact CD-SD 4.49Å; K22-M84 HydrophobicContact CG-CE 3.96Å; K22-M84 HydrophobicContact CG-SD 4.09Å; K22-T87 HydrophobicContact CD-CG2 4.23Å; K22-T87 WeakPolarHBondContact CE-OG1 3.35Å; K22-T87 PolarHBondContact NZ-OG1 2.9Å
23	R	97.3	Very high	91.7	Very high	165 Å²	165	69.3 Å²	69.3	62%	0.623	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.9	-179.3	-165.1	173.3	-175.8	-145.7	-1.3	114.3	G25 E54	R23-G25 VanDerWaalsContact C-N 3.28Å; R23-E54 HydrophobicContact CB-CB 4.33Å; R23-E54 PolarHBondContact N-OE1 2.83Å; R23-E54 PolarHBondContact N-OE2 2.94Å
24	D	97.4	Very high	91.6	Very high	110 Å²	110	68.1 Å²	68.1	59%	0.588	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	3.5	176	64.9	10.2	0	0	0	114.1	K22 T26	K22-D24 WeakPolarHBondContact CB-OD1 3.44Å; K22-D24 PolarHBondContact O-N 2.85Å; K22-D24 VanDerWaalsContact O-N 3.12Å; D24-T26 VanDerWaalsContact C-N 3.29Å; D24-T26 PolarHBondContact O-N 3.04Å; D24-T26 WeakPolarHBondContact OD1-CB 3.49Å; D24-T26 PolarHBondContact OD1-N 3.02Å; D24-T26 PolarHBondContact OD1-OG1 2.75Å
25	G	98.1	Very high	91	Very high	44 Å²	44	66.8 Å²	66.8	45%	0.454	36%	0.355	S	S	.	.	S	Bend	trans	82	-1.8	-178.7	0	0	0	0	0	114.5	K22 R23	K22-G25 PolarHBondContact O-N 2.93Å; R23-G25 VanDerWaalsContact C-N 3.28Å
26	T	98.6	Very high	90	Very high	49 Å²	49	62.9 Å²	62.9	30%	0.301	33%	0.329	S	S	.	.			trans	-78.3	164.9	169.5	67.9	0	0	0	0	110.9	K22 D24 L114	K22-T26 WeakPolarHBondContact CB-O 3.47Å; K22-T26 WeakPolarHBondContact CD-OG1 3.4Å; K22-T26 WeakPolarHBondContact CE-OG1 3.38Å; K22-T26 PolarHBondContact N-O 3.37Å; D24-T26 VanDerWaalsContact C-N 3.29Å; D24-T26 PolarHBondContact O-N 3.04Å; D24-T26 WeakPolarHBondContact OD1-CB 3.49Å; D24-T26 PolarHBondContact OD1-N 3.02Å; D24-T26 PolarHBondContact OD1-OG1 2.75Å; T26-L114 HydrophobicContact CG2-CD2 4.18Å
27	V	98.6	Very high	88.9	Confident	50 Å²	50	60.9 Å²	60.9	30%	0.303	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	123.8	-166.9	169	0	0	0	0	111.3	V19 E21 R29 L114	V19-V27 HydrophobicContact CB-CG1 4.35Å; V19-V27 HydrophobicContact CG1-CG1 3.42Å; V19-V27 VanDerWaalsContact CG1-CG1 3.42Å; E21-V27 HydrophobicContact CG-CG2 4.5Å; V27-R29 HydrophobicContact CG1-CG 4.07Å; V27-L114 VanDerWaalsContact O-CD1 3.29Å; V27-L114 WeakPolarHBondContact O-CD1 3.36Å
28	L	98.6	Very high	87.3	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	135.6	163.3	-72.3	170.9	0	0	0	110	V19 L20 K22 L83 M84 T87 N111 L114	V19-L28 WeakPolarHBondContact CA-O 3.29Å; L20-L28 HydrophobicContact CB-CB 4.27Å; L20-L28 HydrophobicContact CD2-CD1 4.43Å; L20-L28 PolarHBondContact N-O 3.49Å; L20-L28 PolarHBondContact O-N 2.86Å; K22-L28 HydrophobicContact CD-CG 4.31Å; K22-L28 HydrophobicContact CG-CG 4.45Å; L28-L83 HydrophobicContact CD2-CB 4.25Å; L28-M84 HydrophobicContact CD1-CB 4.1Å; L28-M84 HydrophobicContact CD1-CE 4Å; L28-M84 HydrophobicContact CD1-SD 4.27Å; L28-T87 HydrophobicContact CD2-CG2 3.94Å; L28-N111 WeakPolarHBondContact CA-OD1 3.45Å; L28-N111 HydrophobicContact CD2-CB 3.77Å; L28-L114 HydrophobicContact CD2-CD1 4.27Å
29	R	98.1	Very high	85.7	Confident	107 Å²	107	59.5 Å²	59.5	40%	0.404	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	115	177.8	-67.1	177	-66.2	-172.6	-0.2	109.2	V17 V27 M110 N111	V17-R29 HydrophobicContact CG1-CB 3.78Å; V17-R29 HydrophobicContact CG1-CG 4.34Å; V27-R29 HydrophobicContact CG1-CG 4.07Å; R29-M110 HydrophobicContact CB-CE 3.79Å; R29-M110 PolarHBondContact NH2-O 2.99Å; R29-N111 PolarHBondContact N-OD1 3.06Å; R29-N111 PolarHBondContact O-ND2 3.35Å
30	L	97.3	Very high	84.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	106.1	-171.1	-60.6	162.3	0	0	0	108.2	V17 R18 V42 A80 L83 N107	V17-L30 CarbonylContact C-O 3.53Å; V17-L30 WeakPolarHBondContact CA-O 3.12Å; R18-L30 HydrophobicContact CB-CB 4.39Å; R18-L30 PolarHBondContact N-O 3.23Å; R18-L30 PolarHBondContact O-N 2.73Å; L30-V42 HydrophobicContact CB-CG2 3.81Å; L30-V42 HydrophobicContact CD1-CG1 4.31Å; L30-V42 HydrophobicContact CD1-CG2 3.67Å; L30-V42 HydrophobicContact CG-CG2 4.37Å; L30-A80 HydrophobicContact CD1-CB 3.56Å; L30-A80 HydrophobicContact CD2-CB 4.31Å; L30-L83 HydrophobicContact CD2-CD1 3.67Å; L30-N107 HydrophobicContact CD2-CB 4.46Å
31	Q	94.6	Very high	84.4	Confident	10 Å²	10	58.4 Å²	58.4	5%	0.047	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	136.9	170.7	-177.3	59.4	-73.5	0	0	109.4	L13 F16 L103 M106 N107 M110	L13-Q31 PolarHBondContact O-NE2 3.32Å; L13-Q31 PolarHBondContact O-OE1 3.49Å; F16-Q31 VanDerWaalsContact CB-OE1 3.29Å; F16-Q31 PolarHBondContact O-OE1 2.94Å; F16-Q31 VanDerWaalsContact O-OE1 3.05Å; Q31-L103 HydrophobicContact CB-CD1 4.15Å; Q31-L103 HydrophobicContact CG-CD1 4.12Å; Q31-L103 WeakPolarHBondContact O-CD1 3.48Å; Q31-M106 HydrophobicContact CB-SD 4.01Å; Q31-M106 HydrophobicContact CG-SD 3.74Å; Q31-N107 WeakPolarHBondContact CA-OD1 3.15Å; Q31-N107 VanDerWaalsContact CB-OD1 3.26Å; Q31-N107 WeakPolarHBondContact CB-OD1 3.43Å; Q31-N107 PolarHBondContact N-OD1 2.92Å; Q31-N107 PolarHBondContact O-ND2 3.37Å; Q31-N107 VanDerWaalsContact O-ND2 3.15Å; Q31-M110 HydrophobicContact CB-SD 4.22Å
32	Q	90.4	Very high	84.2	Confident	48 Å²	48	53.4 Å²	53.4	22%	0.224	31%	0.312	C	S	.	.			trans	-116.8	7.3	178.8	-58.1	-175.5	134.1	0	0	113.4	F16 R18 C40 V42 T78	F16-Q32 WeakPolarHBondContact O-CB 3.31Å; F16-Q32 WeakPolarHBondContact O-CG 3.47Å; F16-Q32 PolarHBondContact O-N 2.81Å; R18-Q32 HydrophobicContact CB-CG 4.19Å; Q32-C40 CarbonylContact C-O 3.52Å; Q32-C40 WeakPolarHBondContact CA-O 3.48Å; Q32-C40 WeakPolarHBondContact CB-O 3.46Å; Q32-C40 WeakPolarHBondContact CG-O 3.44Å; Q32-C40 VanDerWaalsContact O-CB 3.25Å; Q32-C40 WeakPolarHBondContact O-CB 3.33Å; Q32-V42 HydrophobicContact CG-CG2 4.24Å; Q32-T78 HydrophobicContact CG-CG2 4.42Å
33	Y	75.9	Confident	84	Confident	132 Å²	132	58.1 Å²	58.1	52%	0.518	33%	0.33	S	S	.	.			trans	-100.8	120.8	177.7	-171.8	-95.1	0	0	0	111.3	L13 F16	L13-Y33 HydrophobicContact CD2-CD1 3.35Å; L13-Y33 HydrophobicContact CD2-CD2 4.35Å; L13-Y33 HydrophobicContact CD2-CE1 3.63Å; L13-Y33 HydrophobicContact CD2-CG 3.74Å; F16-Y33 HydrophobicContact CD2-CD2 4.15Å; F16-Y33 HydrophobicContact CD2-CG 4.45Å; F16-Y33 HydrophobicContact CE2-CD2 4.29Å; F16-Y33 HydrophobicContact CG-CD2 4.41Å
34	G	64.8	Low	84.1	Confident	36 Å²	36	54.3 Å²	54.3	37%	0.371	32%	0.322	S	S	.	.	S	Bend	trans	-169.6	166.7	175.1	0	0	0	0	0	110.5	G36	G34-G36 PolarHBondContact O-N 2.85Å
35	S	56.8	Low	84.1	Confident	129 Å²	129	49 Å²	49	90%	0.902	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	12.3	179.2	34.1	0	0	0	0	115
36	G	52.9	Low	84.1	Confident	12 Å²	12	47.4 Å²	47.4	12%	0.124	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	12.3	-165.9	0	0	0	0	0	117.4	G34 V38 G39	G34-G36 PolarHBondContact O-N 2.85Å; G36-V38 PolarHBondContact O-N 3.07Å; G36-G39 PolarHBondContact O-N 3.44Å
37	G	64.4	Low	84.1	Confident	56 Å²	56	45.7 Å²	45.7	58%	0.577	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	60.2	-123.9	172.7	0	0	0	0	0	114.5	G39 C40	G37-G39 VanDerWaalsContact C-N 3.28Å; G37-G39 PolarHBondContact O-N 2.65Å; G37-C40 WeakPolarHBondContact O-CB 3.49Å; G37-C40 PolarHBondContact O-N 3.29Å
38	V	60.2	Low	84.2	Confident	77 Å²	77	43.6 Å²	43.6	47%	0.467	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-64.4	-25.1	-174.8	-68.3	0	0	0	0	114.4	G36 C40 W43	G36-V38 PolarHBondContact O-N 3.07Å; V38-C40 PolarHBondContact O-N 3.09Å; V38-W43 HydrophobicContact CB-CZ2 4.21Å; V38-W43 PolarHBondContact O-NE1 2.94Å
39	G	63.4	Low	84.2	Confident	18 Å²	18	43.6 Å²	43.6	19%	0.186	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-70.7	-6.9	176.7	0	0	0	0	0	113.6	G36 G37 G77 L100	G36-G39 PolarHBondContact O-N 3.44Å; G37-G39 VanDerWaalsContact C-N 3.28Å; G37-G39 PolarHBondContact O-N 2.65Å; G39-G77 CarbonylContact O-C 3.56Å; G39-G77 VanDerWaalsContact O-C 3.29Å; G39-G77 WeakPolarHBondContact O-CA 3.47Å; G39-L100 WeakPolarHBondContact O-CD1 3.44Å
40	C	77.9	Confident	84.2	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.027	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-96.8	-3.2	-176.7	-55.3	0	0	0	0	113.8	Q32 G37 V38 T78 L103	Q32-C40 CarbonylContact C-O 3.52Å; Q32-C40 WeakPolarHBondContact CA-O 3.48Å; Q32-C40 WeakPolarHBondContact CB-O 3.46Å; Q32-C40 WeakPolarHBondContact CG-O 3.44Å; Q32-C40 VanDerWaalsContact O-CB 3.25Å; Q32-C40 WeakPolarHBondContact O-CB 3.33Å; G37-C40 WeakPolarHBondContact O-CB 3.49Å; G37-C40 PolarHBondContact O-N 3.29Å; V38-C40 PolarHBondContact O-N 3.09Å; C40-T78 VanDerWaalsContact O-CG2 3.26Å; C40-T78 WeakPolarHBondContact O-CG2 3.23Å; C40-L103 HydrophobicContact CB-CD2 3.96Å
41	V	89.4	Confident	84.3	Confident	65 Å²	65	39 Å²	39	39%	0.394	24%	0.235	S	C	.	.	S	Bend	trans	-96.6	143.4	179.6	-177.4	0	0	0	0	110.9	W43	V41-W43 VanDerWaalsContact O-CD1 3.29Å; V41-W43 PolarHBondContact O-N 3.04Å
42	V	94	Very high	84.5	Confident	3 Å²	3	39 Å²	39	2%	0.018	24%	0.235	C	C	.	.			trans	-78.8	98.9	165.1	-176.9	0	0	0	0	108.1	R18 L30 Q32 A46 I47 T78 A80	R18-V42 HydrophobicContact CB-CB 4.29Å; R18-V42 HydrophobicContact CB-CG2 3.77Å; R18-V42 HydrophobicContact CG-CB 3.95Å; R18-V42 HydrophobicContact CG-CG1 4.28Å; R18-V42 HydrophobicContact CG-CG2 3.88Å; L30-V42 HydrophobicContact CB-CG2 3.81Å; L30-V42 HydrophobicContact CD1-CG1 4.31Å; L30-V42 HydrophobicContact CD1-CG2 3.67Å; L30-V42 HydrophobicContact CG-CG2 4.37Å; Q32-V42 HydrophobicContact CG-CG2 4.24Å; V42-A46 HydrophobicContact CG1-CB 4.48Å; V42-I47 HydrophobicContact CG1-CD1 4.31Å; V42-I47 HydrophobicContact CG1-CG1 3.81Å; V42-T78 HydrophobicContact CG2-CG2 3.97Å; V42-A80 HydrophobicContact CG1-CB 4.24Å
43	W	95.9	Very high	84.9	Confident	106 Å²	106	36.8 Å²	36.8	40%	0.402	22%	0.224	S	C	.	.			trans	-67.3	151.9	176.3	-64.9	94.9	0	0	0	111.9	V38 V41 A45 A46 I47 D144	V38-W43 HydrophobicContact CB-CZ2 4.21Å; V38-W43 PolarHBondContact O-NE1 2.94Å; V41-W43 VanDerWaalsContact O-CD1 3.29Å; V41-W43 PolarHBondContact O-N 3.04Å; W43-A45 VanDerWaalsContact C-N 3.28Å; W43-A45 PolarHBondContact O-N 3.11Å; W43-A46 VanDerWaalsContact O-CB 3.31Å; W43-A46 WeakPolarHBondContact O-CB 3.4Å; W43-A46 PolarHBondContact O-N 2.88Å; W43-I47 PolarHBondContact O-N 3.4Å; W43-D144 HydrophobicContact CB-CB 4.33Å
44	D	98.1	Very high	86	Confident	84 Å²	84	30.9 Å²	30.9	45%	0.449	20%	0.202	S	C	.	.	H	α-helix	trans	-63.4	-34.7	-176.9	-71.3	-22.9	0	0	0	112.1	A46 I47 V48 I215	D44-A46 PolarHBondContact O-N 2.87Å; D44-I47 WeakPolarHBondContact O-CB 3.4Å; D44-I47 PolarHBondContact O-N 3.18Å; D44-V48 WeakPolarHBondContact O-CG2 3.21Å; D44-V48 PolarHBondContact O-N 3.06Å; D44-I215 HydrophobicContact CB-CD1 3.76Å
45	A	98.4	Very high	87.6	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.7	-33.2	171.9	0	0	0	0	0	112.9	W43 I47 L49 D144 C172 I215	W43-A45 VanDerWaalsContact C-N 3.28Å; W43-A45 PolarHBondContact O-N 3.11Å; A45-I47 VanDerWaalsContact C-N 3.33Å; A45-L49 VanDerWaalsContact O-CB 3.3Å; A45-L49 WeakPolarHBondContact O-CB 3.22Å; A45-L49 PolarHBondContact O-N 3.18Å; A45-D144 HydrophobicContact CB-CB 4.05Å; A45-C172 PolarHBondContact O-SG 3.13Å; A45-C172 VanDerWaalsContact O-SG 3.33Å; A45-I215 HydrophobicContact CB-CG2 4.21Å
46	A	98.6	Very high	89.5	Confident	10 Å²	10	27.5 Å²	27.5	8%	0.083	17%	0.17	C	C	.	.	H	α-helix	trans	-69.5	-32.8	175	0	0	0	0	0	111.8	V42 W43 D44 S50 A80 V81 A143	V42-A46 HydrophobicContact CG1-CB 4.48Å; W43-A46 VanDerWaalsContact O-CB 3.31Å; W43-A46 WeakPolarHBondContact O-CB 3.4Å; W43-A46 PolarHBondContact O-N 2.88Å; D44-A46 PolarHBondContact O-N 2.87Å; A46-S50 WeakPolarHBondContact O-CB 3.44Å; A46-S50 PolarHBondContact O-N 2.91Å; A46-S50 PolarHBondContact O-OG 3.31Å; A46-A80 HydrophobicContact CB-CB 4.26Å; A46-V81 HydrophobicContact CB-CG2 3.9Å; A46-A143 HydrophobicContact CB-CB 3.9Å
47	I	98.8	Very high	91.7	Very high	12 Å²	12	32.9 Å²	32.9	6%	0.062	19%	0.191	C	C	.	.	H	α-helix	trans	-70.2	-51.9	175.2	-58.7	169.4	0	0	0	109.7	L20 V42 W43 D44 A45 L49 S50 K51 Y210	L20-I47 HydrophobicContact CD1-CG2 3.99Å; V42-I47 HydrophobicContact CG1-CD1 4.31Å; V42-I47 HydrophobicContact CG1-CG1 3.81Å; W43-I47 PolarHBondContact O-N 3.4Å; D44-I47 WeakPolarHBondContact O-CB 3.4Å; D44-I47 PolarHBondContact O-N 3.18Å; A45-I47 VanDerWaalsContact C-N 3.33Å; I47-L49 VanDerWaalsContact C-N 3.3Å; I47-L49 PolarHBondContact O-N 2.7Å; I47-S50 PolarHBondContact O-N 2.77Å; I47-S50 VanDerWaalsContact O-N 3.16Å; I47-K51 HydrophobicContact CG2-CG 4.31Å; I47-K51 WeakPolarHBondContact O-CG 3.31Å; I47-K51 PolarHBondContact O-N 2.72Å; I47-Y210 HydrophobicContact CG2-CD1 3.79Å; I47-Y210 HydrophobicContact CG2-CE1 4.45Å; I47-Y210 HydrophobicContact CG2-CG 4.42Å
48	V	98.9	Very high	93.3	Very high	7 Å²	7	31 Å²	31	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-55.1	-48.7	178.6	172.6	0	0	0	0	110	D44 K51 Y52 I215 I217	D44-V48 WeakPolarHBondContact O-CG2 3.21Å; D44-V48 PolarHBondContact O-N 3.06Å; V48-K51 PolarHBondContact O-N 3.15Å; V48-Y52 VanDerWaalsContact O-CB 3.3Å; V48-Y52 WeakPolarHBondContact O-CB 3.26Å; V48-Y52 PolarHBondContact O-N 3.16Å; V48-I215 HydrophobicContact CB-CG2 3.86Å; V48-I215 HydrophobicContact CG1-CG2 3.84Å; V48-I215 HydrophobicContact CG2-CB 4.29Å; V48-I215 HydrophobicContact CG2-CD1 3.77Å; V48-I215 HydrophobicContact CG2-CG2 3.88Å; V48-I217 HydrophobicContact CG1-CD1 4.19Å; V48-I217 HydrophobicContact CG1-CG1 4.49Å
49	L	98.9	Very high	95	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-45.4	177.7	-172.8	53.3	0	0	0	112	A45 I47 K51 Y52 L53 V81 M142 A143 I170 C172	A45-L49 VanDerWaalsContact O-CB 3.3Å; A45-L49 WeakPolarHBondContact O-CB 3.22Å; A45-L49 PolarHBondContact O-N 3.18Å; I47-L49 VanDerWaalsContact C-N 3.3Å; I47-L49 PolarHBondContact O-N 2.7Å; L49-K51 VanDerWaalsContact C-N 3.28Å; L49-K51 PolarHBondContact O-N 3.14Å; L49-Y52 HydrophobicContact CD1-CD1 4.07Å; L49-Y52 WeakPolarHBondContact O-CB 3.41Å; L49-Y52 PolarHBondContact O-N 3.46Å; L49-L53 WeakPolarHBondContact O-CG 3.27Å; L49-L53 PolarHBondContact O-N 2.82Å; L49-L53 VanDerWaalsContact O-N 3.09Å; L49-V81 HydrophobicContact CB-CG1 4.25Å; L49-V81 HydrophobicContact CB-CG2 4.37Å; L49-V81 HydrophobicContact CD2-CG1 3.73Å; L49-V81 HydrophobicContact CD2-CG2 4.3Å; L49-V81 HydrophobicContact CG-CG1 3.66Å; L49-M142 WeakPolarHBondContact CD2-O 3.28Å; L49-A143 HydrophobicContact CD2-CB 4.34Å; L49-I170 HydrophobicContact CD1-CG2 3.6Å; L49-C172 HydrophobicContact CB-CB 3.64Å; L49-C172 HydrophobicContact CD1-CB 4.19Å; L49-C172 HydrophobicContact CD2-CB 3.82Å; L49-C172 HydrophobicContact CG-CB 4.08Å
50	S	98.9	Very high	96.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58	-41.7	178.3	-63.6	0	0	0	0	112.1	A46 I47 L53 V81 M84	A46-S50 WeakPolarHBondContact O-CB 3.44Å; A46-S50 PolarHBondContact O-N 2.91Å; A46-S50 PolarHBondContact O-OG 3.31Å; I47-S50 PolarHBondContact O-N 2.77Å; I47-S50 VanDerWaalsContact O-N 3.16Å; S50-L53 PolarHBondContact O-N 2.91Å; S50-V81 WeakPolarHBondContact OG-CA 3.33Å; S50-M84 WeakPolarHBondContact O-CG 3.36Å
51	K	98.8	Very high	97.2	Very high	11 Å²	11	37.5 Å²	37.5	5%	0.048	21%	0.207	C	C	.	.	H	α-helix	trans	-76.1	-34.6	-179.8	-63.2	-58.2	-57.4	176.8	0	112.2	L20 E21 I47 V48 L49 L53 E54 T55 D207 Y210	L20-K51 HydrophobicContact CD1-CD 4.02Å; L20-K51 HydrophobicContact CD1-CG 4.35Å; E21-K51 PolarHBondContact O-NZ 3.34Å; I47-K51 HydrophobicContact CG2-CG 4.31Å; I47-K51 WeakPolarHBondContact O-CG 3.31Å; I47-K51 PolarHBondContact O-N 2.72Å; V48-K51 PolarHBondContact O-N 3.15Å; L49-K51 VanDerWaalsContact C-N 3.28Å; L49-K51 PolarHBondContact O-N 3.14Å; K51-L53 VanDerWaalsContact C-N 3.26Å; K51-L53 PolarHBondContact O-N 2.92Å; K51-E54 IonicContact NZ-OE2 3.9Å; K51-E54 PolarHBondContact NZ-OE2 2.97Å; K51-E54 PolarHBondContact O-N 3.3Å; K51-T55 PolarHBondContact O-N 3.05Å; K51-D207 HydrophobicContact CB-CB 3.86Å; K51-Y210 HydrophobicContact CB-CD2 4.13Å; K51-Y210 HydrophobicContact CB-CG 4.15Å; K51-Y210 HydrophobicContact CD-CD2 4.06Å; K51-Y210 HydrophobicContact CD-CE2 4.29Å; K51-Y210 HydrophobicContact CD-CG 4.45Å; K51-Y210 HydrophobicContact CG-CD1 4.3Å; K51-Y210 HydrophobicContact CG-CD2 3.66Å; K51-Y210 HydrophobicContact CG-CE2 4.33Å; K51-Y210 HydrophobicContact CG-CG 3.63Å
52	Y	98.9	Very high	97.5	Very high	10 Å²	10	38.3 Å²	38.3	4%	0.039	23%	0.228	C	C	.	.	H	α-helix	trans	-54.7	-41.5	169.2	172.3	-103.4	0	0	0	112.3	V48 L49 E54 T55 F58 I201 K205 I217 Y219	V48-Y52 VanDerWaalsContact O-CB 3.3Å; V48-Y52 WeakPolarHBondContact O-CB 3.26Å; V48-Y52 PolarHBondContact O-N 3.16Å; L49-Y52 HydrophobicContact CD1-CD1 4.07Å; L49-Y52 WeakPolarHBondContact O-CB 3.41Å; L49-Y52 PolarHBondContact O-N 3.46Å; Y52-E54 PolarHBondContact O-N 2.87Å; Y52-E54 VanDerWaalsContact O-N 3.16Å; Y52-T55 HydrophobicContact CD2-CG2 4.47Å; Y52-T55 WeakPolarHBondContact O-CB 3.42Å; Y52-T55 WeakPolarHBondContact O-CG2 3.33Å; Y52-T55 PolarHBondContact O-N 2.85Å; Y52-T55 PolarHBondContact O-OG1 2.83Å; Y52-F58 HydrophobicContact CD1-CD2 4.43Å; Y52-F58 HydrophobicContact CE1-CB 4.47Å; Y52-F58 AromaticContact CE1-CD2 3.56Å; Y52-F58 HydrophobicContact CE1-CD2 3.56Å; Y52-F58 HydrophobicContact CE1-CE2 4.01Å; Y52-F58 HydrophobicContact CE1-CG 4.1Å; Y52-F58 AromaticContact CZ-CD2 3.82Å; Y52-I201 HydrophobicContact CE2-CG2 4.17Å; Y52-K205 WeakPolarHBondContact CD2-O 3.47Å; Y52-K205 WeakPolarHBondContact CE2-O 3.29Å; Y52-I217 HydrophobicContact CD1-CD1 3.91Å; Y52-I217 HydrophobicContact CD2-CD1 3.78Å; Y52-I217 HydrophobicContact CE1-CG2 4.41Å; Y52-I217 HydrophobicContact CE2-CD1 4.46Å; Y52-I217 HydrophobicContact CG-CD1 3.45Å; Y52-I217 VanDerWaalsContact CG-CD1 3.45Å; Y52-Y219 HydrophobicContact CE1-CE1 4.07Å; Y52-Y219 WeakPolarHBondContact OH-CE1 3.32Å; Y52-Y219 VanDerWaalsContact OH-CZ 3.31Å; Y52-Y219 PolarHBondContact OH-OH 3.37Å
53	L	98.9	Very high	97.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.2	177.3	-59.9	179	0	0	0	113.5	L49 S50 K51 F58 H64 L66 V81 A85 L88 L141 I170	L49-L53 WeakPolarHBondContact O-CG 3.27Å; L49-L53 PolarHBondContact O-N 2.82Å; L49-L53 VanDerWaalsContact O-N 3.09Å; S50-L53 PolarHBondContact O-N 2.91Å; K51-L53 VanDerWaalsContact C-N 3.26Å; K51-L53 PolarHBondContact O-N 2.92Å; L53-F58 HydrophobicContact CB-CD1 4.32Å; L53-F58 HydrophobicContact CB-CE1 4.19Å; L53-F58 HydrophobicContact CD2-CD1 4.07Å; L53-F58 HydrophobicContact CD2-CE1 3.4Å; L53-F58 HydrophobicContact CD2-CE2 4.22Å; L53-F58 HydrophobicContact CD2-CZ 3.49Å; L53-F58 VanDerWaalsContact CD2-CZ 3.49Å; L53-F58 HydrophobicContact CG-CE1 4.37Å; L53-F58 WeakPolarHBondContact O-CD1 3.38Å; L53-H64 PolarHBondContact O-CE1 2.96Å; L53-H64 VanDerWaalsContact O-CE1 3.31Å; L53-H64 PolarHBondContact O-NE2 3.42Å; L53-L66 HydrophobicContact CD1-CD1 4.12Å; L53-L66 HydrophobicContact CD2-CD1 4.27Å; L53-V81 HydrophobicContact CD1-CG1 3.82Å; L53-A85 HydrophobicContact CD1-CB 4.32Å; L53-L88 HydrophobicContact CB-CD1 3.82Å; L53-L141 HydrophobicContact CD1-CD1 4.07Å; L53-I170 HydrophobicContact CD2-CD1 4.44Å
54	E	98.7	Very high	97.7	Very high	9 Å²	9	38.5 Å²	38.5	4%	0.042	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-0.3	176.8	-61.4	-164.8	121.3	0	0	113.5	K22 R23 K51 Y52 M84 L88	K22-E54 WeakPolarHBondContact CA-OE2 3.28Å; K22-E54 WeakPolarHBondContact CB-OE1 3.36Å; K22-E54 IonicContact NZ-OE1 2.7Å; K22-E54 PolarHBondContact NZ-OE1 2.65Å; R23-E54 HydrophobicContact CB-CB 4.33Å; R23-E54 PolarHBondContact N-OE1 2.83Å; R23-E54 PolarHBondContact N-OE2 2.94Å; K51-E54 IonicContact NZ-OE2 3.9Å; K51-E54 PolarHBondContact NZ-OE2 2.97Å; K51-E54 PolarHBondContact O-N 3.3Å; Y52-E54 PolarHBondContact O-N 2.87Å; Y52-E54 VanDerWaalsContact O-N 3.16Å; E54-M84 VanDerWaalsContact CD-SD 3.55Å; E54-M84 HydrophobicContact CG-CE 4.16Å; E54-M84 HydrophobicContact CG-CG 4.47Å; E54-M84 HydrophobicContact CG-SD 3.73Å; E54-L88 HydrophobicContact CG-CD1 4.19Å; E54-L88 HydrophobicContact CG-CD2 4.23Å
55	T	98.6	Very high	97.6	Very high	11 Å²	11	36 Å²	36	7%	0.067	24%	0.238	C	C	.	.	S	Bend	trans	-66.6	142.3	179.8	61.2	0	0	0	0	110.8	K51 Y52 E57 F58 S59 D207	K51-T55 PolarHBondContact O-N 3.05Å; Y52-T55 HydrophobicContact CD2-CG2 4.47Å; Y52-T55 WeakPolarHBondContact O-CB 3.42Å; Y52-T55 WeakPolarHBondContact O-CG2 3.33Å; Y52-T55 PolarHBondContact O-N 2.85Å; Y52-T55 PolarHBondContact O-OG1 2.83Å; T55-E57 PolarHBondContact O-N 3.47Å; T55-F58 PolarHBondContact O-N 2.68Å; T55-F58 VanDerWaalsContact OG1-CB 3.28Å; T55-F58 WeakPolarHBondContact OG1-CB 3.5Å; T55-F58 PolarHBondContact OG1-N 3.02Å; T55-S59 WeakPolarHBondContact O-CB 3.33Å; T55-S59 PolarHBondContact O-N 2.97Å; T55-S59 PolarHBondContact O-OG 2.99Å; T55-D207 HydrophobicContact CG2-CB 4.33Å
56	P	97.6	Very high	97.7	Very high	83 Å²	83	36 Å²	36	54%	0.539	24%	0.238	S	C	.	.	H	α-helix	trans	-53.5	-39.9	178.8	-22.5	28.5	0	0	0	113.7	G60	P56-G60 PolarHBondContact O-N 3.21Å; P56-G60 VanDerWaalsContact O-N 3.09Å
57	E	97.4	Very high	97.7	Very high	124 Å²	124	37.6 Å²	37.6	58%	0.579	25%	0.248	S	C	*	.	H	α-helix	trans	-66.7	-42.3	-178.4	-171	176.6	159	0	0	111.6	T55 K205	T55-E57 PolarHBondContact O-N 3.47Å; E57-K205 WeakPolarHBondContact OE1-CD 3.43Å; E57-K205 WeakPolarHBondContact OE1-CE 3.2Å; E57-K205 IonicContact OE1-NZ 2.77Å; E57-K205 PolarHBondContact OE1-NZ 3.48Å
58	F	98.2	Very high	97.6	Very high	17 Å²	17	47.4 Å²	47.4	8%	0.075	29%	0.285	C	S	.	.	H	α-helix	trans	-72.2	-42.7	176.1	-176.8	-95.2	0	0	0	112.3	Y52 L53 T55 G60 A65 L66 Y139 I170 Y219	Y52-F58 HydrophobicContact CD1-CD2 4.43Å; Y52-F58 HydrophobicContact CE1-CB 4.47Å; Y52-F58 AromaticContact CE1-CD2 3.56Å; Y52-F58 HydrophobicContact CE1-CD2 3.56Å; Y52-F58 HydrophobicContact CE1-CE2 4.01Å; Y52-F58 HydrophobicContact CE1-CG 4.1Å; Y52-F58 AromaticContact CZ-CD2 3.82Å; L53-F58 HydrophobicContact CB-CD1 4.32Å; L53-F58 HydrophobicContact CB-CE1 4.19Å; L53-F58 HydrophobicContact CD2-CD1 4.07Å; L53-F58 HydrophobicContact CD2-CE1 3.4Å; L53-F58 HydrophobicContact CD2-CE2 4.22Å; L53-F58 HydrophobicContact CD2-CZ 3.49Å; L53-F58 VanDerWaalsContact CD2-CZ 3.49Å; L53-F58 HydrophobicContact CG-CE1 4.37Å; L53-F58 WeakPolarHBondContact O-CD1 3.38Å; T55-F58 PolarHBondContact O-N 2.68Å; T55-F58 VanDerWaalsContact OG1-CB 3.28Å; T55-F58 WeakPolarHBondContact OG1-CB 3.5Å; T55-F58 PolarHBondContact OG1-N 3.02Å; F58-G60 PolarHBondContact O-N 3.38Å; F58-A65 WeakPolarHBondContact O-CB 3.22Å; F58-L66 HydrophobicContact CE1-CD1 4.02Å; F58-L66 HydrophobicContact CE1-CD2 4.15Å; F58-L66 HydrophobicContact CE1-CG 3.83Å; F58-L66 HydrophobicContact CZ-CD2 4.03Å; F58-L66 HydrophobicContact CZ-CG 4.23Å; F58-Y139 HydrophobicContact CZ-CE1 4.3Å; F58-I170 HydrophobicContact CE2-CD1 3.61Å; F58-I170 HydrophobicContact CZ-CD1 3.89Å; F58-Y219 VanDerWaalsContact CD2-OH 3.26Å; F58-Y219 WeakPolarHBondContact CD2-OH 3.45Å; F58-Y219 VanDerWaalsContact CE2-OH 3.31Å; F58-Y219 WeakPolarHBondContact CE2-OH 3.13Å
59	S	97.2	Very high	97.6	Very high	20 Å²	20	52.6 Å²	52.6	14%	0.14	30%	0.303	C	S	.	.	H	α-helix	trans	-58.7	-36.6	179.6	-64.5	0	0	0	0	112.3	T55 H64 A65	T55-S59 WeakPolarHBondContact O-CB 3.33Å; T55-S59 PolarHBondContact O-N 2.97Å; T55-S59 PolarHBondContact O-OG 2.99Å; S59-H64 VanDerWaalsContact CB-CD2 3.4Å; S59-H64 WeakPolarHBondContact CB-CD2 3.5Å; S59-H64 CarbonylContact O-C 3.54Å; S59-H64 WeakPolarHBondContact O-CA 3.26Å; S59-H64 PolarHBondContact OG-CD2 3.31Å; S59-H64 PolarHBondContact OG-NE2 2.99Å; S59-A65 PolarHBondContact O-N 2.58Å
60	G	95	Very high	97.6	Very high	42 Å²	42	54.6 Å²	54.6	43%	0.433	32%	0.317	S	S	.	.			trans	74.1	-177.1	-178.3	0	0	0	0	0	113.8	P56 F58	P56-G60 PolarHBondContact O-N 3.21Å; P56-G60 VanDerWaalsContact O-N 3.09Å; F58-G60 PolarHBondContact O-N 3.38Å
61	D	92.9	Very high	97.6	Very high	173 Å²	173	54.7 Å²	54.7	93%	0.925	32%	0.318	S	S	*	.	S	Bend	trans	-82.2	134.4	179.4	-69	-38.9	0	0	0	112
62	G	94.8	Very high	97.6	Very high	82 Å²	82	54.3 Å²	54.3	85%	0.845	32%	0.316	S	S	*	.	S	Bend	trans	84.7	-121.6	175.3	0	0	0	0	0	113.2
63	A	95.1	Very high	97.6	Very high	79 Å²	79	54 Å²	54	65%	0.653	32%	0.315	S	S	*	.	S	Bend	trans	-74.4	140.9	175.6	0	0	0	0	0	109.7
64	H	98.3	Very high	97.6	Very high	34 Å²	34	54 Å²	54	16%	0.157	32%	0.315	C	S	.	.			trans	-52.3	142	-179.1	-165.7	-88.9	0	0	0	112.1	L53 S59 L66 S67	L53-H64 PolarHBondContact O-CE1 2.96Å; L53-H64 VanDerWaalsContact O-CE1 3.31Å; L53-H64 PolarHBondContact O-NE2 3.42Å; S59-H64 VanDerWaalsContact CB-CD2 3.4Å; S59-H64 WeakPolarHBondContact CB-CD2 3.5Å; S59-H64 CarbonylContact O-C 3.54Å; S59-H64 WeakPolarHBondContact O-CA 3.26Å; S59-H64 PolarHBondContact OG-CD2 3.31Å; S59-H64 PolarHBondContact OG-NE2 2.99Å; H64-L66 PolarHBondContact ND1-N 3.14Å; H64-L66 VanDerWaalsContact ND1-N 3.18Å; H64-L66 PolarHBondContact O-N 2.89Å; H64-L66 VanDerWaalsContact O-N 3.09Å; H64-S67 WeakPolarHBondContact O-CB 3.41Å; H64-S67 PolarHBondContact O-N 2.86Å
65	A	97.9	Very high	97.5	Very high	33 Å²	33	54.4 Å²	54.4	27%	0.273	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-34.3	-179	0	0	0	0	0	113.9	F58 S59 R69	F58-A65 WeakPolarHBondContact O-CB 3.22Å; S59-A65 PolarHBondContact O-N 2.58Å; A65-R69 VanDerWaalsContact O-CG 3.29Å; A65-R69 WeakPolarHBondContact O-CG 3.47Å
66	L	98.6	Very high	97.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.6	176.7	-59.8	179.1	0	0	0	114.6	L53 F58 H64 R68 R69 V71 A85 L88 A90 Y139	L53-L66 HydrophobicContact CD1-CD1 4.12Å; L53-L66 HydrophobicContact CD2-CD1 4.27Å; F58-L66 HydrophobicContact CE1-CD1 4.02Å; F58-L66 HydrophobicContact CE1-CD2 4.15Å; F58-L66 HydrophobicContact CE1-CG 3.83Å; F58-L66 HydrophobicContact CZ-CD2 4.03Å; F58-L66 HydrophobicContact CZ-CG 4.23Å; H64-L66 PolarHBondContact ND1-N 3.14Å; H64-L66 VanDerWaalsContact ND1-N 3.18Å; H64-L66 PolarHBondContact O-N 2.89Å; H64-L66 VanDerWaalsContact O-N 3.09Å; L66-R68 PolarHBondContact O-N 3.32Å; L66-R69 WeakPolarHBondContact O-CB 2.82Å; L66-R69 PolarHBondContact O-N 2.7Å; L66-V71 HydrophobicContact CD2-CG2 4.26Å; L66-A85 HydrophobicContact CD1-CB 3.88Å; L66-L88 HydrophobicContact CD1-CD1 4.3Å; L66-A90 HydrophobicContact CB-CB 4.2Å; L66-A90 VanDerWaalsContact O-CA 3.28Å; L66-A90 WeakPolarHBondContact O-CA 3.26Å; L66-A90 PolarHBondContact O-N 2.7Å; L66-Y139 HydrophobicContact CD2-CD1 4.08Å; L66-Y139 HydrophobicContact CD2-CD2 3.74Å; L66-Y139 HydrophobicContact CD2-CE1 4.09Å; L66-Y139 HydrophobicContact CD2-CE2 3.78Å; L66-Y139 HydrophobicContact CD2-CG 3.91Å
67	S	98.5	Very high	97.4	Very high	42 Å²	42	50.7 Å²	50.7	29%	0.294	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	124.5	-176.4	-168.7	0	0	0	0	110.8	H64 R69	H64-S67 WeakPolarHBondContact O-CB 3.41Å; H64-S67 PolarHBondContact O-N 2.86Å; S67-R69 PolarHBondContact O-N 2.97Å
68	R	98.1	Very high	97.4	Very high	219 Å²	219	45 Å²	45	83%	0.826	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	23.8	-177.3	-50	178	-179.6	179.1	-0.5	113.9	L66 G89	L66-R68 PolarHBondContact O-N 3.32Å; R68-G89 PolarHBondContact N-O 2.94Å
69	R	98.5	Very high	97.4	Very high	115 Å²	115	44.2 Å²	44.2	43%	0.434	27%	0.271	S	S	.	.			trans	-98.3	141.9	174.6	-61.2	-60.9	-177.4	172.4	-3.6	110.3	A65 L66 S67 D91 D138 Y139	A65-R69 VanDerWaalsContact O-CG 3.29Å; A65-R69 WeakPolarHBondContact O-CG 3.47Å; L66-R69 WeakPolarHBondContact O-CB 2.82Å; L66-R69 PolarHBondContact O-N 2.7Å; S67-R69 PolarHBondContact O-N 2.97Å; R69-D91 PolarHBondContact O-N 3.19Å; R69-D138 HydrophobicContact CB-CB 4.04Å; R69-D138 IonicContact NH1-OD1 3.2Å; R69-D138 PolarHBondContact NH1-OD1 3.44Å; R69-Y139 HydrophobicContact CB-CD2 4.07Å; R69-Y139 HydrophobicContact CB-CE2 4.08Å; R69-Y139 HydrophobicContact CG-CD2 4.5Å; R69-Y139 HydrophobicContact CG-CE2 4.01Å
70	S	98.6	Very high	97.4	Very high	42 Å²	42	43.3 Å²	43.3	29%	0.294	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	121.5	171.9	56.1	0	0	0	0	109.7	D91 P137 D138 Y139	S70-D91 WeakPolarHBondContact CA-O 3.49Å; S70-P137 WeakPolarHBondContact OG-CA 3.14Å; S70-D138 PolarHBondContact N-OD2 3.06Å; S70-D138 WeakPolarHBondContact O-CB 3.36Å; S70-D138 PolarHBondContact O-N 3.39Å; S70-D138 PolarHBondContact OG-N 2.94Å; S70-D138 PolarHBondContact OG-OD2 3.12Å; S70-Y139 PolarHBondContact O-N 2.76Å
71	V	98.9	Very high	97.6	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129	-177.4	178.2	0	0	0	0	109.1	L66 A85 A90 D91 V92 V93 Y139 L141	L66-V71 HydrophobicContact CD2-CG2 4.26Å; V71-A85 HydrophobicContact CG1-CB 4.35Å; V71-A90 HydrophobicContact CB-CB 4.25Å; V71-A90 HydrophobicContact CG2-CB 3.51Å; V71-D91 PolarHBondContact N-O 2.95Å; V71-V92 HydrophobicContact CB-CG1 4.47Å; V71-V92 HydrophobicContact CB-CG2 4.16Å; V71-V92 HydrophobicContact CG1-CG1 4.38Å; V71-V92 CarbonylContact O-C 3.48Å; V71-V92 WeakPolarHBondContact O-CA 3.43Å; V71-V93 PolarHBondContact O-N 3.41Å; V71-Y139 WeakPolarHBondContact CA-O 3.41Å; V71-Y139 HydrophobicContact CG2-CD2 4.47Å; V71-L141 HydrophobicContact CG1-CD1 3.58Å; V71-L141 HydrophobicContact CG1-CG 3.84Å
72	L	98.8	Very high	97.9	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.5	168.9	174.7	65.4	0	0	0	109.3	L74 V93 T95 F133 P137 Y139 I140 L141 I162	L72-L74 HydrophobicContact CD2-CD2 3.96Å; L72-L74 HydrophobicContact CG-CD2 4.16Å; L72-V93 WeakPolarHBondContact CA-O 3.49Å; L72-V93 HydrophobicContact CD1-CB 4.16Å; L72-V93 HydrophobicContact CD1-CG1 4.36Å; L72-T95 HydrophobicContact CD1-CG2 3.52Å; L72-F133 HydrophobicContact CD1-CE1 3.65Å; L72-F133 HydrophobicContact CD1-CZ 3.87Å; L72-P137 HydrophobicContact CB-CB 4.26Å; L72-P137 HydrophobicContact CB-CG 4.04Å; L72-Y139 PolarHBondContact N-O 3.02Å; L72-I140 HydrophobicContact CB-CG1 4.44Å; L72-I140 CarbonylContact O-C 3.55Å; L72-I140 VanDerWaalsContact O-CA 3.22Å; L72-I140 WeakPolarHBondContact O-CA 3.42Å; L72-L141 PolarHBondContact O-N 3.44Å; L72-I162 HydrophobicContact CD2-CD1 3.29Å; L72-I162 HydrophobicContact CD2-CG1 3.99Å; L72-I162 HydrophobicContact CD2-CG2 4.09Å
73	E	98.9	Very high	98.1	Very high	3 Å²	3	29.3 Å²	29.3	1%	0.014	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.9	168.7	-173.2	-176.1	-162.9	0	0	109.3	S76 V81 G82 V93 V94 T95 L141	E73-S76 WeakPolarHBondContact CB-OG 3.24Å; E73-S76 VanDerWaalsContact CG-OG 3.32Å; E73-S76 WeakPolarHBondContact CG-OG 3.29Å; E73-S76 PolarHBondContact O-OG 3.15Å; E73-S76 PolarHBondContact OE2-OG 2.84Å; E73-V81 WeakPolarHBondContact OE1-CB 3.3Å; E73-V81 WeakPolarHBondContact OE1-CG2 3.39Å; E73-V81 PolarHBondContact OE1-N 2.82Å; E73-G82 VanDerWaalsContact CD-N 3.26Å; E73-G82 PolarHBondContact OE1-N 2.94Å; E73-G82 WeakPolarHBondContact OE2-CA 3.28Å; E73-G82 PolarHBondContact OE2-N 3Å; E73-V93 PolarHBondContact N-O 3.03Å; E73-V94 HydrophobicContact CB-CG1 4.39Å; E73-V94 WeakPolarHBondContact OE2-CG1 3.47Å; E73-T95 PolarHBondContact O-N 3.39Å; E73-T95 PolarHBondContact O-OG1 3.04Å; E73-L141 WeakPolarHBondContact CA-O 3.3Å; E73-L141 HydrophobicContact CB-CB 4.43Å; E73-L141 HydrophobicContact CG-CB 4.33Å
74	L	98.4	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.9	174.2	-60	176.8	0	0	0	109.8	L72 L124 I140 L141 M142 C145 L155 T158 L159	L72-L74 HydrophobicContact CD2-CD2 3.96Å; L72-L74 HydrophobicContact CG-CD2 4.16Å; L74-L124 HydrophobicContact CD2-CD1 3.84Å; L74-L124 HydrophobicContact CD2-CD2 4.05Å; L74-I140 HydrophobicContact CD1-CG2 4Å; L74-I140 HydrophobicContact CG-CG2 4.1Å; L74-L141 PolarHBondContact N-O 2.86Å; L74-M142 HydrophobicContact CB-CG 4.1Å; L74-M142 HydrophobicContact CD1-CG 4.39Å; L74-M142 HydrophobicContact CD1-SD 4.16Å; L74-C145 PolarHBondContact O-SG 2.69Å; L74-L155 HydrophobicContact CD1-CD1 4.07Å; L74-T158 HydrophobicContact CD1-CG2 4Å; L74-T158 HydrophobicContact CD2-CG2 4.07Å; L74-L159 HydrophobicContact CD1-CD2 3.66Å; L74-L159 HydrophobicContact CD1-CG 4.33Å
75	G	97	Very high	98.3	Very high	19 Å²	19	23.9 Å²	23.9	20%	0.196	12%	0.121	C	C	.	.	S	Bend	trans	63.5	45	179.7	0	0	0	0	0	111.9	G77 T95 D96	G75-G77 PolarHBondContact O-N 3.16Å; G75-T95 PolarHBondContact N-O 3.39Å; G75-D96 WeakPolarHBondContact CA-OD2 3.5Å
76	S	97.9	Very high	98.4	Very high	8 Å²	8	22.3 Å²	22.3	6%	0.056	11%	0.108	C	C	.	.			trans	-64.5	-26.1	-170.3	-57	0	0	0	0	113.8	E73 T78 G79 V94 T95 D96	E73-S76 WeakPolarHBondContact CB-OG 3.24Å; E73-S76 VanDerWaalsContact CG-OG 3.32Å; E73-S76 WeakPolarHBondContact CG-OG 3.29Å; E73-S76 PolarHBondContact O-OG 3.15Å; E73-S76 PolarHBondContact OE2-OG 2.84Å; S76-T78 PolarHBondContact O-N 3.44Å; S76-G79 PolarHBondContact O-N 3.09Å; S76-V94 WeakPolarHBondContact OG-CA 3.38Å; S76-V94 WeakPolarHBondContact OG-CB 3.47Å; S76-T95 PolarHBondContact N-O 2.83Å; S76-T95 PolarHBondContact OG-N 3.12Å; S76-T95 PolarHBondContact OG-O 3.15Å; S76-T95 VanDerWaalsContact OG-O 3.12Å; S76-D96 PolarHBondContact N-OD2 2.85Å; S76-D96 VanDerWaalsContact N-OD2 3.09Å
77	G	96.1	Very high	98.4	Very high	8 Å²	8	22.8 Å²	22.8	8%	0.082	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-100.5	-175.5	0	0	0	0	0	112.4	G39 G75 G79 D96 L104	G39-G77 CarbonylContact O-C 3.56Å; G39-G77 VanDerWaalsContact O-C 3.29Å; G39-G77 WeakPolarHBondContact O-CA 3.47Å; G75-G77 PolarHBondContact O-N 3.16Å; G77-G79 VanDerWaalsContact C-N 3.33Å; G77-D96 WeakPolarHBondContact CA-OD2 3.26Å; G77-D96 PolarHBondContact N-OD2 3.04Å; G77-L104 VanDerWaalsContact O-CD2 3.27Å; G77-L104 WeakPolarHBondContact O-CD2 3.49Å
78	T	97.2	Very high	98.4	Very high	4 Å²	4	22 Å²	22	3%	0.025	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-15.8	174.8	58.6	0	0	0	0	113.9	Q32 C40 V42 S76 L103 N107	Q32-T78 HydrophobicContact CG-CG2 4.42Å; C40-T78 VanDerWaalsContact O-CG2 3.26Å; C40-T78 WeakPolarHBondContact O-CG2 3.23Å; V42-T78 HydrophobicContact CG2-CG2 3.97Å; S76-T78 PolarHBondContact O-N 3.44Å; T78-L103 HydrophobicContact CG2-CD2 4.24Å; T78-N107 WeakPolarHBondContact O-CB 3.29Å; T78-N107 PolarHBondContact O-ND2 2.81Å
79	G	98.3	Very high	98.4	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.01	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	16.9	-175.2	0	0	0	0	0	114.1	S76 G77 V81 L83	S76-G79 PolarHBondContact O-N 3.09Å; G77-G79 VanDerWaalsContact C-N 3.33Å; G79-V81 PolarHBondContact O-N 3.45Å; G79-L83 WeakPolarHBondContact O-CB 3.4Å; G79-L83 WeakPolarHBondContact O-CD1 3.41Å; G79-L83 WeakPolarHBondContact O-CG 3.37Å; G79-L83 PolarHBondContact O-N 3.07Å
80	A	98.6	Very high	98.4	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.008	5%	0.047	C	C	.	.	H	α-helix	trans	-54.2	-51.5	-172.1	0	0	0	0	0	113.2	L30 V42 A46 M84	L30-A80 HydrophobicContact CD1-CB 3.56Å; L30-A80 HydrophobicContact CD2-CB 4.31Å; V42-A80 HydrophobicContact CG1-CB 4.24Å; A46-A80 HydrophobicContact CB-CB 4.26Å; A80-M84 PolarHBondContact O-N 3.29Å
81	V	98.9	Very high	98.5	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-74.6	-43.4	-173.6	-164.6	0	0	0	0	110.9	A46 L49 S50 L53 E73 G79 L83 M84 A85 L141 A143	A46-V81 HydrophobicContact CB-CG2 3.9Å; L49-V81 HydrophobicContact CB-CG1 4.25Å; L49-V81 HydrophobicContact CB-CG2 4.37Å; L49-V81 HydrophobicContact CD2-CG1 3.73Å; L49-V81 HydrophobicContact CD2-CG2 4.3Å; L49-V81 HydrophobicContact CG-CG1 3.66Å; S50-V81 WeakPolarHBondContact OG-CA 3.33Å; L53-V81 HydrophobicContact CD1-CG1 3.82Å; E73-V81 WeakPolarHBondContact OE1-CB 3.3Å; E73-V81 WeakPolarHBondContact OE1-CG2 3.39Å; E73-V81 PolarHBondContact OE1-N 2.82Å; G79-V81 PolarHBondContact O-N 3.45Å; V81-L83 VanDerWaalsContact C-N 3.33Å; V81-L83 PolarHBondContact O-N 3.42Å; V81-M84 WeakPolarHBondContact O-CB 3.48Å; V81-M84 PolarHBondContact O-N 2.88Å; V81-A85 PolarHBondContact O-N 2.9Å; V81-L141 HydrophobicContact CG1-CD1 3.91Å; V81-A143 HydrophobicContact CG2-CB 3.83Å
82	G	98.9	Very high	98.4	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63.9	-37.6	176.4	0	0	0	0	0	112.6	E73 A85 A86	E73-G82 VanDerWaalsContact CD-N 3.26Å; E73-G82 PolarHBondContact OE1-N 2.94Å; E73-G82 WeakPolarHBondContact OE2-CA 3.28Å; E73-G82 PolarHBondContact OE2-N 3Å; G82-A85 PolarHBondContact O-N 2.89Å; G82-A86 WeakPolarHBondContact O-CB 3.45Å; G82-A86 PolarHBondContact O-N 3.2Å
83	L	98.9	Very high	98.4	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-64.9	-42.5	172.6	-74.2	168.4	0	0	0	111.4	L28 L30 G79 V81 A85 A86 T87 N107 I108 N111 V119	L28-L83 HydrophobicContact CD2-CB 4.25Å; L30-L83 HydrophobicContact CD2-CD1 3.67Å; G79-L83 WeakPolarHBondContact O-CB 3.4Å; G79-L83 WeakPolarHBondContact O-CD1 3.41Å; G79-L83 WeakPolarHBondContact O-CG 3.37Å; G79-L83 PolarHBondContact O-N 3.07Å; V81-L83 VanDerWaalsContact C-N 3.33Å; V81-L83 PolarHBondContact O-N 3.42Å; L83-A85 PolarHBondContact O-N 3.22Å; L83-A86 PolarHBondContact O-N 3.49Å; L83-T87 VanDerWaalsContact O-CG2 3.27Å; L83-T87 WeakPolarHBondContact O-CG2 3.37Å; L83-T87 PolarHBondContact O-N 2.81Å; L83-N107 HydrophobicContact CD1-CB 3.88Å; L83-I108 HydrophobicContact CD2-CG1 4.02Å; L83-N111 HydrophobicContact CD2-CB 4.39Å; L83-V119 HydrophobicContact CD2-CG1 4.25Å; L83-V119 HydrophobicContact CD2-CG2 4.31Å
84	M	98.9	Very high	98.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-55.9	-51.5	172.2	-179.2	62	82.7	0	0	110.9	L20 K22 L28 S50 E54 A80 V81 A86 T87 L88	L20-M84 HydrophobicContact CD2-CE 4.08Å; L20-M84 HydrophobicContact CG-CE 4.45Å; K22-M84 HydrophobicContact CD-SD 4.49Å; K22-M84 HydrophobicContact CG-CE 3.96Å; K22-M84 HydrophobicContact CG-SD 4.09Å; L28-M84 HydrophobicContact CD1-CB 4.1Å; L28-M84 HydrophobicContact CD1-CE 4Å; L28-M84 HydrophobicContact CD1-SD 4.27Å; S50-M84 WeakPolarHBondContact O-CG 3.36Å; E54-M84 VanDerWaalsContact CD-SD 3.55Å; E54-M84 HydrophobicContact CG-CE 4.16Å; E54-M84 HydrophobicContact CG-CG 4.47Å; E54-M84 HydrophobicContact CG-SD 3.73Å; A80-M84 PolarHBondContact O-N 3.29Å; V81-M84 WeakPolarHBondContact O-CB 3.48Å; V81-M84 PolarHBondContact O-N 2.88Å; M84-A86 VanDerWaalsContact C-N 3.29Å; M84-A86 PolarHBondContact O-N 3.45Å; M84-T87 PolarHBondContact O-N 2.83Å; M84-T87 VanDerWaalsContact O-N 3.07Å; M84-T87 PolarHBondContact O-OG1 2.91Å; M84-L88 HydrophobicContact CG-CD1 4.01Å; M84-L88 WeakPolarHBondContact O-CG 3.27Å; M84-L88 PolarHBondContact O-N 2.82Å; M84-L88 VanDerWaalsContact O-N 3.15Å; M84-L88 HydrophobicContact SD-CD1 4.33Å
85	A	98.9	Very high	98.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-55.8	-41.6	176.8	0	0	0	0	0	112.7	L53 L66 V71 V81 G82 L83 T87 L88 G89 A90 V92 L141	L53-A85 HydrophobicContact CD1-CB 4.32Å; L66-A85 HydrophobicContact CD1-CB 3.88Å; V71-A85 HydrophobicContact CG1-CB 4.35Å; V81-A85 PolarHBondContact O-N 2.9Å; G82-A85 PolarHBondContact O-N 2.89Å; L83-A85 PolarHBondContact O-N 3.22Å; A85-T87 VanDerWaalsContact C-N 3.34Å; A85-T87 PolarHBondContact O-N 3.35Å; A85-L88 CarbonylContact O-C 3.54Å; A85-L88 WeakPolarHBondContact O-CA 3.38Å; A85-L88 WeakPolarHBondContact O-CB 3.43Å; A85-L88 PolarHBondContact O-N 2.98Å; A85-G89 PolarHBondContact O-N 3Å; A85-A90 HydrophobicContact CB-CB 4.2Å; A85-A90 VanDerWaalsContact O-CB 3.27Å; A85-A90 WeakPolarHBondContact O-CB 3.44Å; A85-A90 PolarHBondContact O-N 2.99Å; A85-A90 VanDerWaalsContact O-N 3.16Å; A85-V92 HydrophobicContact CB-CG2 4.08Å; A85-L141 HydrophobicContact CB-CD1 4.15Å
86	A	98.9	Very high	98.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-66	-34.6	178	0	0	0	0	0	112.7	G82 L83 M84 L88 G89 V92 V115 T116 G117 V119	G82-A86 WeakPolarHBondContact O-CB 3.45Å; G82-A86 PolarHBondContact O-N 3.2Å; L83-A86 PolarHBondContact O-N 3.49Å; M84-A86 VanDerWaalsContact C-N 3.29Å; M84-A86 PolarHBondContact O-N 3.45Å; A86-L88 PolarHBondContact O-N 2.82Å; A86-G89 PolarHBondContact O-N 2.94Å; A86-V92 HydrophobicContact CB-CB 4.34Å; A86-V92 HydrophobicContact CB-CG2 3.69Å; A86-V115 HydrophobicContact CB-CG1 4.09Å; A86-V115 HydrophobicContact CB-CG2 4.26Å; A86-T116 PolarHBondContact O-N 3.17Å; A86-T116 VanDerWaalsContact O-N 3.15Å; A86-G117 PolarHBondContact O-N 3.38Å; A86-G117 VanDerWaalsContact O-N 3.14Å; A86-V119 HydrophobicContact CB-CB 3.87Å; A86-V119 HydrophobicContact CB-CG1 4.37Å
87	T	98.9	Very high	98.3	Very high	10 Å²	10	11.4 Å²	11.4	6%	0.061	7%	0.066	C	C	.	.	H	α-helix	trans	-68.5	-23.7	171.8	72.4	0	0	0	0	112.8	K22 L28 L83 M84 A85 G89 L114 T116	K22-T87 HydrophobicContact CD-CG2 4.23Å; K22-T87 WeakPolarHBondContact CE-OG1 3.35Å; K22-T87 PolarHBondContact NZ-OG1 2.9Å; L28-T87 HydrophobicContact CD2-CG2 3.94Å; L83-T87 VanDerWaalsContact O-CG2 3.27Å; L83-T87 WeakPolarHBondContact O-CG2 3.37Å; L83-T87 PolarHBondContact O-N 2.81Å; M84-T87 PolarHBondContact O-N 2.83Å; M84-T87 VanDerWaalsContact O-N 3.07Å; M84-T87 PolarHBondContact O-OG1 2.91Å; A85-T87 VanDerWaalsContact C-N 3.34Å; A85-T87 PolarHBondContact O-N 3.35Å; T87-G89 VanDerWaalsContact C-N 3.29Å; T87-L114 HydrophobicContact CG2-CB 3.84Å; T87-T116 PolarHBondContact O-OG1 2.85Å
88	L	98.8	Very high	98.2	Very high	25 Å²	25	17.3 Å²	17.3	13%	0.131	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	8.8	176.9	-60.7	168.3	0	0	0	113	L53 E54 L66 M84 A85 A86	L53-L88 HydrophobicContact CB-CD1 3.82Å; E54-L88 HydrophobicContact CG-CD1 4.19Å; E54-L88 HydrophobicContact CG-CD2 4.23Å; L66-L88 HydrophobicContact CD1-CD1 4.3Å; M84-L88 HydrophobicContact CG-CD1 4.01Å; M84-L88 WeakPolarHBondContact O-CG 3.27Å; M84-L88 PolarHBondContact O-N 2.82Å; M84-L88 VanDerWaalsContact O-N 3.15Å; M84-L88 HydrophobicContact SD-CD1 4.33Å; A85-L88 CarbonylContact O-C 3.54Å; A85-L88 WeakPolarHBondContact O-CA 3.38Å; A85-L88 WeakPolarHBondContact O-CB 3.43Å; A85-L88 PolarHBondContact O-N 2.98Å; A86-L88 PolarHBondContact O-N 2.82Å
89	G	98.8	Very high	98	Very high	7 Å²	7	23 Å²	23	7%	0.072	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.2	9.3	171	0	0	0	0	0	115.3	R68 A85 A86 T87 T116	R68-G89 PolarHBondContact N-O 2.94Å; A85-G89 PolarHBondContact O-N 3Å; A86-G89 PolarHBondContact O-N 2.94Å; T87-G89 VanDerWaalsContact C-N 3.29Å; G89-T116 VanDerWaalsContact CA-OG1 3.28Å; G89-T116 WeakPolarHBondContact CA-OG1 3.34Å; G89-T116 PolarHBondContact N-OG1 2.84Å
90	A	98.8	Very high	97.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.			trans	-75.4	155.4	177.2	0	0	0	0	0	113.5	L66 V71 A85 V92 G117 S118	L66-A90 HydrophobicContact CB-CB 4.2Å; L66-A90 VanDerWaalsContact O-CA 3.28Å; L66-A90 WeakPolarHBondContact O-CA 3.26Å; L66-A90 PolarHBondContact O-N 2.7Å; V71-A90 HydrophobicContact CB-CB 4.25Å; V71-A90 HydrophobicContact CG2-CB 3.51Å; A85-A90 HydrophobicContact CB-CB 4.2Å; A85-A90 VanDerWaalsContact O-CB 3.27Å; A85-A90 WeakPolarHBondContact O-CB 3.44Å; A85-A90 PolarHBondContact O-N 2.99Å; A85-A90 VanDerWaalsContact O-N 3.16Å; A90-V92 HydrophobicContact CB-CG2 3.56Å; A90-G117 CarbonylContact O-C 3.6Å; A90-G117 WeakPolarHBondContact O-CA 3.34Å; A90-S118 PolarHBondContact O-N 3Å; A90-S118 VanDerWaalsContact O-O 3.11Å
91	D	98.7	Very high	97.7	Very high	74 Å²	74	23.4 Å²	23.4	40%	0.396	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	99.1	165.9	-68.6	-53	0	0	0	109.3	R69 S70 V71 S118	R69-D91 PolarHBondContact O-N 3.19Å; S70-D91 WeakPolarHBondContact CA-O 3.49Å; V71-D91 PolarHBondContact N-O 2.95Å; D91-S118 WeakPolarHBondContact CA-OG 3.36Å; D91-S118 WeakPolarHBondContact OD1-CB 3.39Å; D91-S118 PolarHBondContact OD1-OG 3.3Å
92	V	98.8	Very high	97.4	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.5	-163.6	-170.1	0	0	0	0	112.4	V71 A85 A86 A90 V94 S118 V119 Q120	V71-V92 HydrophobicContact CB-CG1 4.47Å; V71-V92 HydrophobicContact CB-CG2 4.16Å; V71-V92 HydrophobicContact CG1-CG1 4.38Å; V71-V92 CarbonylContact O-C 3.48Å; V71-V92 WeakPolarHBondContact O-CA 3.43Å; A85-V92 HydrophobicContact CB-CG2 4.08Å; A86-V92 HydrophobicContact CB-CB 4.34Å; A86-V92 HydrophobicContact CB-CG2 3.69Å; A90-V92 HydrophobicContact CB-CG2 3.56Å; V92-V94 HydrophobicContact CG1-CG1 3.85Å; V92-S118 PolarHBondContact N-O 2.78Å; V92-V119 HydrophobicContact CB-CB 4.3Å; V92-V119 HydrophobicContact CB-CG2 4.17Å; V92-V119 HydrophobicContact CG1-CG2 4.4Å; V92-V119 WeakPolarHBondContact O-CA 3.39Å; V92-Q120 PolarHBondContact O-N 2.69Å
93	V	98.7	Very high	97.3	Very high	21 Å²	21	29.7 Å²	29.7	13%	0.127	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113.1	160	-172.4	0	0	0	0	108.1	V71 L72 E73 T95 Q120 K122 F133	V71-V93 PolarHBondContact O-N 3.41Å; L72-V93 WeakPolarHBondContact CA-O 3.49Å; L72-V93 HydrophobicContact CD1-CB 4.16Å; L72-V93 HydrophobicContact CD1-CG1 4.36Å; E73-V93 PolarHBondContact N-O 3.03Å; V93-T95 HydrophobicContact CG1-CG2 3.76Å; V93-Q120 WeakPolarHBondContact CA-O 3.1Å; V93-Q120 HydrophobicContact CB-CG 4.48Å; V93-Q120 HydrophobicContact CG1-CG 4.31Å; V93-Q120 HydrophobicContact CG2-CG 4Å; V93-K122 HydrophobicContact CG1-CB 3.97Å; V93-K122 HydrophobicContact CG1-CD 3.94Å; V93-K122 HydrophobicContact CG1-CG 3.91Å; V93-F133 HydrophobicContact CB-CE1 4.08Å; V93-F133 HydrophobicContact CG1-CE1 3.87Å; V93-F133 HydrophobicContact CG1-CZ 3.9Å; V93-F133 HydrophobicContact CG2-CE1 4.21Å
94	V	98.8	Very high	97.2	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	131.8	171.2	-64.6	0	0	0	0	108.8	E73 S76 V92 L104 I108 V119 Q120 A121 K122	E73-V94 HydrophobicContact CB-CG1 4.39Å; E73-V94 WeakPolarHBondContact OE2-CG1 3.47Å; S76-V94 WeakPolarHBondContact OG-CA 3.38Å; S76-V94 WeakPolarHBondContact OG-CB 3.47Å; V92-V94 HydrophobicContact CG1-CG1 3.85Å; V94-L104 HydrophobicContact CB-CD2 4.27Å; V94-L104 HydrophobicContact CG2-CB 4.4Å; V94-L104 HydrophobicContact CG2-CD1 4.34Å; V94-L104 HydrophobicContact CG2-CD2 3.98Å; V94-L104 HydrophobicContact CG2-CG 4.49Å; V94-I108 HydrophobicContact CG2-CD1 4.06Å; V94-V119 HydrophobicContact CG1-CG2 4.23Å; V94-V119 HydrophobicContact CG2-CG2 4.36Å; V94-Q120 WeakPolarHBondContact CG2-O 3.43Å; V94-Q120 PolarHBondContact N-O 2.77Å; V94-A121 HydrophobicContact CG2-CB 4.07Å; V94-A121 WeakPolarHBondContact O-CA 3.48Å; V94-K122 PolarHBondContact O-N 3.15Å
95	T	98.2	Very high	97.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140.2	-174.4	69.9	0	0	0	0	113.6	L72 E73 G75 S76 V93 K122 L124 F133	L72-T95 HydrophobicContact CD1-CG2 3.52Å; E73-T95 PolarHBondContact O-N 3.39Å; E73-T95 PolarHBondContact O-OG1 3.04Å; G75-T95 PolarHBondContact N-O 3.39Å; S76-T95 PolarHBondContact N-O 2.83Å; S76-T95 PolarHBondContact OG-N 3.12Å; S76-T95 PolarHBondContact OG-O 3.15Å; S76-T95 VanDerWaalsContact OG-O 3.12Å; V93-T95 HydrophobicContact CG1-CG2 3.76Å; T95-K122 VanDerWaalsContact CA-O 3.28Å; T95-K122 WeakPolarHBondContact CA-O 3.43Å; T95-K122 HydrophobicContact CG2-CB 4.26Å; T95-L124 HydrophobicContact CG2-CB 3.96Å; T95-L124 HydrophobicContact CG2-CD1 4.38Å; T95-F133 HydrophobicContact CG2-CZ 4.02Å
96	D	96.3	Very high	97	Very high	19 Å²	19	39.1 Å²	39.1	10%	0.102	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	-171.3	176.3	-147.2	-68.6	0	0	0	109.3	G75 S76 G77 L100 Q101 L104 K122 V123 L124	G75-D96 WeakPolarHBondContact CA-OD2 3.5Å; S76-D96 PolarHBondContact N-OD2 2.85Å; S76-D96 VanDerWaalsContact N-OD2 3.09Å; G77-D96 WeakPolarHBondContact CA-OD2 3.26Å; G77-D96 PolarHBondContact N-OD2 3.04Å; D96-L100 HydrophobicContact CB-CB 3.83Å; D96-L100 HydrophobicContact CB-CG 4.35Å; D96-Q101 PolarHBondContact O-NE2 3.38Å; D96-L104 HydrophobicContact CB-CD1 4.01Å; D96-K122 PolarHBondContact N-O 3.03Å; D96-V123 WeakPolarHBondContact O-CA 3.32Å; D96-L124 PolarHBondContact O-N 2.93Å
97	L	95	Very high	96.9	Very high	65 Å²	65	39.1 Å²	39.1	34%	0.34	20%	0.196	S	C	.	.			trans	-63.2	162.2	173.3	-57.9	177.4	0	0	0	111.9	E99 L100 Q101 K125	L97-E99 HydrophobicContact CB-CG 4.18Å; L97-E99 PolarHBondContact O-N 3.49Å; L97-L100 HydrophobicContact CB-CD2 4.46Å; L97-L100 PolarHBondContact O-N 3.41Å; L97-L100 VanDerWaalsContact O-N 3.14Å; L97-Q101 PolarHBondContact O-NE2 3.38Å; L97-Q101 VanDerWaalsContact O-NE2 3.16Å; L97-K125 HydrophobicContact CD2-CB 4.07Å; L97-K125 HydrophobicContact CD2-CD 4.1Å; L97-K125 HydrophobicContact CD2-CG 3.92Å
98	E	94.7	Very high	96.9	Very high	132 Å²	132	39.9 Å²	39.9	62%	0.617	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-55	-41.5	178.3	-178.7	63.1	-147.8	0	0	111.8	L100 Q101 V123	E98-L100 PolarHBondContact O-N 3.06Å; E98-L100 VanDerWaalsContact O-N 3.14Å; E98-Q101 WeakPolarHBondContact O-CB 3.33Å; E98-Q101 VanDerWaalsContact O-CG 3.29Å; E98-Q101 WeakPolarHBondContact O-CG 3.15Å; E98-Q101 PolarHBondContact O-N 2.9Å; E98-Q101 VanDerWaalsContact O-N 3.15Å; E98-V123 WeakPolarHBondContact OE2-CG2 3.38Å
99	E	93.3	Very high	96.9	Very high	123 Å²	123	43 Å²	43	58%	0.575	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-66.3	-14.8	-177.8	66.6	-145.2	-114.4	0	0	114.5	L97	L97-E99 HydrophobicContact CB-CG 4.18Å; L97-E99 PolarHBondContact O-N 3.49Å
100	L	94.6	Very high	96.9	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-97.9	-8.1	178.2	-81.1	-60.1	0	0	0	113.1	G39 D96 L97 E98 D102 L103 L104	G39-L100 WeakPolarHBondContact O-CD1 3.44Å; D96-L100 HydrophobicContact CB-CB 3.83Å; D96-L100 HydrophobicContact CB-CG 4.35Å; L97-L100 HydrophobicContact CB-CD2 4.46Å; L97-L100 PolarHBondContact O-N 3.41Å; L97-L100 VanDerWaalsContact O-N 3.14Å; E98-L100 PolarHBondContact O-N 3.06Å; E98-L100 VanDerWaalsContact O-N 3.14Å; L100-D102 VanDerWaalsContact C-N 3.31Å; L100-D102 PolarHBondContact O-N 2.92Å; L100-L103 HydrophobicContact CD1-CD2 3.99Å; L100-L103 WeakPolarHBondContact O-CB 3.46Å; L100-L103 PolarHBondContact O-N 3.16Å; L100-L103 VanDerWaalsContact O-N 3.14Å; L100-L104 PolarHBondContact O-N 2.99Å
101	Q	95.4	Very high	96.9	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.028	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-37	-173	-63.8	-58.9	-55.4	0	0	113	D96 L97 E98 K105 K122 V123	D96-Q101 PolarHBondContact O-NE2 3.38Å; L97-Q101 PolarHBondContact O-NE2 3.38Å; L97-Q101 VanDerWaalsContact O-NE2 3.16Å; E98-Q101 WeakPolarHBondContact O-CB 3.33Å; E98-Q101 VanDerWaalsContact O-CG 3.29Å; E98-Q101 WeakPolarHBondContact O-CG 3.15Å; E98-Q101 PolarHBondContact O-N 2.9Å; E98-Q101 VanDerWaalsContact O-N 3.15Å; Q101-K105 WeakPolarHBondContact O-CB 3.39Å; Q101-K105 WeakPolarHBondContact O-CD 3.48Å; Q101-K105 WeakPolarHBondContact O-CG 3.38Å; Q101-K105 PolarHBondContact O-N 2.92Å; Q101-K122 PolarHBondContact NE2-O 2.65Å; Q101-K122 VanDerWaalsContact OE1-C 3.24Å; Q101-K122 PolarHBondContact OE1-O 2.95Å; Q101-V123 HydrophobicContact CG-CG2 3.68Å
102	D	94.1	Very high	96.8	Very high	125 Å²	125	47.5 Å²	47.5	67%	0.668	23%	0.232	S	C	*	.	H	α-helix	trans	-68.8	-37.2	178.1	-74.5	-17.5	0	0	0	112	L100 M106	L100-D102 VanDerWaalsContact C-N 3.31Å; L100-D102 PolarHBondContact O-N 2.92Å; D102-M106 WeakPolarHBondContact O-CB 3.47Å; D102-M106 PolarHBondContact O-N 3.48Å
103	L	95.1	Very high	96.8	Very high	8 Å²	8	53.2 Å²	53.2	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-65.1	-47.3	175.6	-174.4	63	0	0	0	111	Q31 C40 T78 L100 K105 M106 N107	Q31-L103 HydrophobicContact CB-CD1 4.15Å; Q31-L103 HydrophobicContact CG-CD1 4.12Å; Q31-L103 WeakPolarHBondContact O-CD1 3.48Å; C40-L103 HydrophobicContact CB-CD2 3.96Å; T78-L103 HydrophobicContact CG2-CD2 4.24Å; L100-L103 HydrophobicContact CD1-CD2 3.99Å; L100-L103 WeakPolarHBondContact O-CB 3.46Å; L100-L103 PolarHBondContact O-N 3.16Å; L100-L103 VanDerWaalsContact O-N 3.14Å; L103-K105 PolarHBondContact O-N 2.98Å; L103-M106 WeakPolarHBondContact O-CB 3.5Å; L103-M106 PolarHBondContact O-N 3.04Å; L103-N107 PolarHBondContact O-N 3.34Å
104	L	97.4	Very high	96.8	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-58.3	-48.5	176.5	-70.6	171.2	0	0	0	111.3	G77 V94 D96 L100 M106 N107 I108 A121	G77-L104 VanDerWaalsContact O-CD2 3.27Å; G77-L104 WeakPolarHBondContact O-CD2 3.49Å; V94-L104 HydrophobicContact CB-CD2 4.27Å; V94-L104 HydrophobicContact CG2-CB 4.4Å; V94-L104 HydrophobicContact CG2-CD1 4.34Å; V94-L104 HydrophobicContact CG2-CD2 3.98Å; V94-L104 HydrophobicContact CG2-CG 4.49Å; D96-L104 HydrophobicContact CB-CD1 4.01Å; L100-L104 PolarHBondContact O-N 2.99Å; L104-M106 VanDerWaalsContact C-N 3.31Å; L104-M106 PolarHBondContact O-N 3.43Å; L104-N107 PolarHBondContact O-N 3.39Å; L104-I108 WeakPolarHBondContact O-CB 3.37Å; L104-I108 VanDerWaalsContact O-CG1 3.25Å; L104-I108 WeakPolarHBondContact O-CG1 3.32Å; L104-I108 PolarHBondContact O-N 3.48Å; L104-A121 HydrophobicContact CB-CB 3.82Å; L104-A121 HydrophobicContact CD1-CB 4.29Å
105	K	97.7	Very high	96.8	Very high	111 Å²	111	55.2 Å²	55.2	48%	0.483	27%	0.269	S	S	.	.	H	α-helix	trans	-61.6	-38.6	177.7	-71.1	166.5	-168.1	163.7	0	112.1	Q101 L103 N109 A121	Q101-K105 WeakPolarHBondContact O-CB 3.39Å; Q101-K105 WeakPolarHBondContact O-CD 3.48Å; Q101-K105 WeakPolarHBondContact O-CG 3.38Å; Q101-K105 PolarHBondContact O-N 2.92Å; L103-K105 PolarHBondContact O-N 2.98Å; K105-N109 PolarHBondContact O-N 2.62Å; K105-A121 HydrophobicContact CG-CB 4.23Å
106	M	95.7	Very high	96.8	Very high	86 Å²	86	60.1 Å²	60.1	42%	0.424	30%	0.299	S	S	.	.	H	α-helix	trans	-62	-50	175.3	-173.6	-178.5	-58.7	0	0	111.2	Q31 D102 L103 L104 I108 N109 M110	Q31-M106 HydrophobicContact CB-SD 4.01Å; Q31-M106 HydrophobicContact CG-SD 3.74Å; D102-M106 WeakPolarHBondContact O-CB 3.47Å; D102-M106 PolarHBondContact O-N 3.48Å; L103-M106 WeakPolarHBondContact O-CB 3.5Å; L103-M106 PolarHBondContact O-N 3.04Å; L104-M106 VanDerWaalsContact C-N 3.31Å; L104-M106 PolarHBondContact O-N 3.43Å; M106-I108 PolarHBondContact O-N 2.96Å; M106-N109 PolarHBondContact O-N 3.12Å; M106-N109 VanDerWaalsContact O-N 3.12Å; M106-M110 HydrophobicContact CG-SD 4.36Å; M106-M110 WeakPolarHBondContact O-CG 3.28Å; M106-M110 PolarHBondContact O-N 2.95Å
107	N	98	Very high	97	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-67	-35.4	-179.6	-73.4	-20	0	0	0	112.4	L30 Q31 T78 L83 L103 L104 M110 N111	L30-N107 HydrophobicContact CD2-CB 4.46Å; Q31-N107 WeakPolarHBondContact CA-OD1 3.15Å; Q31-N107 VanDerWaalsContact CB-OD1 3.26Å; Q31-N107 WeakPolarHBondContact CB-OD1 3.43Å; Q31-N107 PolarHBondContact N-OD1 2.92Å; Q31-N107 PolarHBondContact O-ND2 3.37Å; Q31-N107 VanDerWaalsContact O-ND2 3.15Å; T78-N107 WeakPolarHBondContact O-CB 3.29Å; T78-N107 PolarHBondContact O-ND2 2.81Å; L83-N107 HydrophobicContact CD1-CB 3.88Å; L103-N107 PolarHBondContact O-N 3.34Å; L104-N107 PolarHBondContact O-N 3.39Å; N107-M110 PolarHBondContact O-N 2.85Å; N107-N111 PolarHBondContact O-N 3.32Å; N107-N111 PolarHBondContact O-ND2 2.86Å
108	I	98.7	Very high	97.1	Very high	26 Å²	26	59.7 Å²	59.7	13%	0.133	31%	0.308	C	S	.	.	H	α-helix	trans	-56.8	-51.4	168.2	-71.3	165.3	0	0	0	110.3	L83 V94 L104 M106 M110 N111 K112 V119 A121	L83-I108 HydrophobicContact CD2-CG1 4.02Å; V94-I108 HydrophobicContact CG2-CD1 4.06Å; L104-I108 WeakPolarHBondContact O-CB 3.37Å; L104-I108 VanDerWaalsContact O-CG1 3.25Å; L104-I108 WeakPolarHBondContact O-CG1 3.32Å; L104-I108 PolarHBondContact O-N 3.48Å; M106-I108 PolarHBondContact O-N 2.96Å; I108-M110 VanDerWaalsContact C-N 3.32Å; I108-M110 PolarHBondContact O-N 3.29Å; I108-N111 CarbonylContact O-C 3.53Å; I108-N111 PolarHBondContact O-N 3.21Å; I108-K112 WeakPolarHBondContact O-CB 3.44Å; I108-K112 PolarHBondContact O-N 3.27Å; I108-V119 HydrophobicContact CB-CG1 4.48Å; I108-V119 HydrophobicContact CD1-CG2 4.01Å; I108-V119 HydrophobicContact CG1-CG1 4.06Å; I108-V119 HydrophobicContact CG1-CG2 3.93Å; I108-V119 HydrophobicContact CG2-CG1 3.8Å; I108-A121 HydrophobicContact CD1-CB 3.99Å
109	N	98.4	Very high	97.3	Very high	92 Å²	92	54.8 Å²	54.8	49%	0.492	29%	0.287	S	S	.	.	H	α-helix	trans	-64.6	-34.5	-177.8	-178.3	66.5	0	0	0	113.1	K105 M106 N111 K112	K105-N109 PolarHBondContact O-N 2.62Å; M106-N109 PolarHBondContact O-N 3.12Å; M106-N109 VanDerWaalsContact O-N 3.12Å; N109-N111 VanDerWaalsContact C-N 3.28Å; N109-N111 PolarHBondContact O-N 2.77Å; N109-K112 WeakPolarHBondContact O-CG 3.42Å; N109-K112 WeakPolarHBondContact OD1-CE 3.37Å; N109-K112 PolarHBondContact OD1-NZ 2.85Å
110	M	97.8	Very high	97.6	Very high	46 Å²	46	53.5 Å²	53.5	23%	0.227	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-28.8	176.6	-72.9	-178.1	68.2	0	0	113.3	V17 R29 Q31 M106 N107 I108 H113	V17-M110 HydrophobicContact CG1-CE 4.27Å; V17-M110 HydrophobicContact CG2-CE 4.19Å; R29-M110 HydrophobicContact CB-CE 3.79Å; R29-M110 PolarHBondContact NH2-O 2.99Å; Q31-M110 HydrophobicContact CB-SD 4.22Å; M106-M110 HydrophobicContact CG-SD 4.36Å; M106-M110 WeakPolarHBondContact O-CG 3.28Å; M106-M110 PolarHBondContact O-N 2.95Å; N107-M110 PolarHBondContact O-N 2.85Å; I108-M110 VanDerWaalsContact C-N 3.32Å; I108-M110 PolarHBondContact O-N 3.29Å; M110-H113 PolarHBondContact O-CE1 3.36Å; M110-H113 PolarHBondContact O-ND1 2.89Å
111	N	98.8	Very high	97.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-114.1	-2.9	-172.2	-61.3	-65.9	0	0	0	114.2	L28 R29 L83 N107 I108 N109 H113 L114	L28-N111 WeakPolarHBondContact CA-OD1 3.45Å; L28-N111 HydrophobicContact CD2-CB 3.77Å; R29-N111 PolarHBondContact N-OD1 3.06Å; R29-N111 PolarHBondContact O-ND2 3.35Å; L83-N111 HydrophobicContact CD2-CB 4.39Å; N107-N111 PolarHBondContact O-N 3.32Å; N107-N111 PolarHBondContact O-ND2 2.86Å; I108-N111 CarbonylContact O-C 3.53Å; I108-N111 PolarHBondContact O-N 3.21Å; N109-N111 VanDerWaalsContact C-N 3.28Å; N109-N111 PolarHBondContact O-N 2.77Å; N111-H113 PolarHBondContact O-N 3.32Å; N111-L114 PolarHBondContact O-N 3.48Å
112	K	98.3	Very high	97.9	Very high	129 Å²	129	57 Å²	57	56%	0.561	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-24.5	-177.8	71.2	-174.2	177.9	-171.3	0	115.3	I108 N109 L114 V115	I108-K112 WeakPolarHBondContact O-CB 3.44Å; I108-K112 PolarHBondContact O-N 3.27Å; N109-K112 WeakPolarHBondContact O-CG 3.42Å; N109-K112 WeakPolarHBondContact OD1-CE 3.37Å; N109-K112 PolarHBondContact OD1-NZ 2.85Å; K112-L114 PolarHBondContact O-N 3.36Å; K112-V115 PolarHBondContact O-N 3.26Å
113	H	98.6	Very high	98	Very high	120 Å²	120	54.3 Å²	54.3	56%	0.556	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-14.5	178	65.7	-74.4	0	0	0	113.5	M110 N111	M110-H113 PolarHBondContact O-CE1 3.36Å; M110-H113 PolarHBondContact O-ND1 2.89Å; N111-H113 PolarHBondContact O-N 3.32Å
114	L	98.8	Very high	98.1	Very high	30 Å²	30	54.5 Å²	54.5	16%	0.157	29%	0.289	C	S	.	.	S	Bend	trans	-102.7	-9.3	176.4	-56.7	177	0	0	0	112.9	T26 V27 L28 T87 N111 K112 T116	T26-L114 HydrophobicContact CG2-CD2 4.18Å; V27-L114 VanDerWaalsContact O-CD1 3.29Å; V27-L114 WeakPolarHBondContact O-CD1 3.36Å; L28-L114 HydrophobicContact CD2-CD1 4.27Å; T87-L114 HydrophobicContact CG2-CB 3.84Å; N111-L114 PolarHBondContact O-N 3.48Å; K112-L114 PolarHBondContact O-N 3.36Å; L114-T116 PolarHBondContact O-N 3.39Å
115	V	98.8	Very high	98	Very high	34 Å²	34	59.5 Å²	59.5	21%	0.206	31%	0.31	C	S	.	.			trans	-73.9	123.7	-175.6	174.3	0	0	0	0	109.5	A86 K112 V119	A86-V115 HydrophobicContact CB-CG1 4.09Å; A86-V115 HydrophobicContact CB-CG2 4.26Å; K112-V115 PolarHBondContact O-N 3.26Å; V115-V119 HydrophobicContact CG1-CG1 4.45Å; V115-V119 HydrophobicContact CG2-CG1 4.03Å
116	T	98.6	Very high	98	Very high	103 Å²	103	56 Å²	56	63%	0.632	29%	0.294	S	S	*	.	S	Bend	trans	-106.5	-17.7	178.8	58.7	0	0	0	0	112.9	A86 T87 G89 L114	A86-T116 PolarHBondContact O-N 3.17Å; A86-T116 VanDerWaalsContact O-N 3.15Å; T87-T116 PolarHBondContact O-OG1 2.85Å; G89-T116 VanDerWaalsContact CA-OG1 3.28Å; G89-T116 WeakPolarHBondContact CA-OG1 3.34Å; G89-T116 PolarHBondContact N-OG1 2.84Å; L114-T116 PolarHBondContact O-N 3.39Å
117	G	98.5	Very high	98	Very high	29 Å²	29	53 Å²	53	30%	0.299	28%	0.284	S	S	.	.	S	Bend	trans	-102.6	-123.7	166.2	0	0	0	0	0	111.5	A86 A90	A86-G117 PolarHBondContact O-N 3.38Å; A86-G117 VanDerWaalsContact O-N 3.14Å; A90-G117 CarbonylContact O-C 3.6Å; A90-G117 WeakPolarHBondContact O-CA 3.34Å
118	S	98.8	Very high	97.8	Very high	47 Å²	47	57.5 Å²	57.5	33%	0.329	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	156.8	173.7	69.1	0	0	0	0	111.8	A90 D91 V92	A90-S118 PolarHBondContact O-N 3Å; A90-S118 VanDerWaalsContact O-O 3.11Å; D91-S118 WeakPolarHBondContact CA-OG 3.36Å; D91-S118 WeakPolarHBondContact OD1-CB 3.39Å; D91-S118 PolarHBondContact OD1-OG 3.3Å; V92-S118 PolarHBondContact N-O 2.78Å
119	V	98.8	Very high	97.4	Very high	28 Å²	28	64.1 Å²	64.1	17%	0.17	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	136.1	174.4	61.7	0	0	0	0	110.5	L83 A86 V92 V94 I108 V115	L83-V119 HydrophobicContact CD2-CG1 4.25Å; L83-V119 HydrophobicContact CD2-CG2 4.31Å; A86-V119 HydrophobicContact CB-CB 3.87Å; A86-V119 HydrophobicContact CB-CG1 4.37Å; V92-V119 HydrophobicContact CB-CB 4.3Å; V92-V119 HydrophobicContact CB-CG2 4.17Å; V92-V119 HydrophobicContact CG1-CG2 4.4Å; V92-V119 WeakPolarHBondContact O-CA 3.39Å; V94-V119 HydrophobicContact CG1-CG2 4.23Å; V94-V119 HydrophobicContact CG2-CG2 4.36Å; I108-V119 HydrophobicContact CB-CG1 4.48Å; I108-V119 HydrophobicContact CD1-CG2 4.01Å; I108-V119 HydrophobicContact CG1-CG1 4.06Å; I108-V119 HydrophobicContact CG1-CG2 3.93Å; I108-V119 HydrophobicContact CG2-CG1 3.8Å; V115-V119 HydrophobicContact CG1-CG1 4.45Å; V115-V119 HydrophobicContact CG2-CG1 4.03Å
120	Q	98.4	Very high	97	Very high	97 Å²	97	61.7 Å²	61.7	45%	0.453	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	151.1	172.2	68	-172.2	-76.7	0	0	110.7	V92 V93 V94	V92-Q120 PolarHBondContact O-N 2.69Å; V93-Q120 WeakPolarHBondContact CA-O 3.1Å; V93-Q120 HydrophobicContact CB-CG 4.48Å; V93-Q120 HydrophobicContact CG1-CG 4.31Å; V93-Q120 HydrophobicContact CG2-CG 4Å; V94-Q120 WeakPolarHBondContact CG2-O 3.43Å; V94-Q120 PolarHBondContact N-O 2.77Å
121	A	98.2	Very high	96.3	Very high	21 Å²	21	66.8 Å²	66.8	17%	0.174	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	137.7	174.3	0	0	0	0	0	110.6	V94 L104 K105 I108	V94-A121 HydrophobicContact CG2-CB 4.07Å; V94-A121 WeakPolarHBondContact O-CA 3.48Å; L104-A121 HydrophobicContact CB-CB 3.82Å; L104-A121 HydrophobicContact CD1-CB 4.29Å; K105-A121 HydrophobicContact CG-CB 4.23Å; I108-A121 HydrophobicContact CD1-CB 3.99Å
122	K	97.7	Very high	95.3	Very high	62 Å²	62	69.2 Å²	69.2	27%	0.27	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	157.8	170.5	-70.7	-171.1	-178	178.6	0	110.8	V93 V94 T95 D96 Q101 G132 F133	V93-K122 HydrophobicContact CG1-CB 3.97Å; V93-K122 HydrophobicContact CG1-CD 3.94Å; V93-K122 HydrophobicContact CG1-CG 3.91Å; V94-K122 PolarHBondContact O-N 3.15Å; T95-K122 VanDerWaalsContact CA-O 3.28Å; T95-K122 WeakPolarHBondContact CA-O 3.43Å; T95-K122 HydrophobicContact CG2-CB 4.26Å; D96-K122 PolarHBondContact N-O 3.03Å; Q101-K122 PolarHBondContact NE2-O 2.65Å; Q101-K122 VanDerWaalsContact OE1-C 3.24Å; Q101-K122 PolarHBondContact OE1-O 2.95Å; K122-G132 PolarHBondContact NZ-O 3.43Å; K122-G132 VanDerWaalsContact NZ-O 3.07Å; K122-F133 HydrophobicContact CD-CZ 4.17Å
123	V	97.1	Very high	94.6	Very high	69 Å²	69	65 Å²	65	42%	0.418	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	131.1	169.9	-176.9	0	0	0	0	108.6	D96 E98 Q101	D96-V123 WeakPolarHBondContact O-CA 3.32Å; E98-V123 WeakPolarHBondContact OE2-CG2 3.38Å; Q101-V123 HydrophobicContact CG-CG2 3.68Å
124	L	97.1	Very high	93.6	Very high	13 Å²	13	65.6 Å²	65.6	7%	0.068	37%	0.367	C	S	.	.			trans	-147.4	103.9	166.2	-165.4	164.8	0	0	0	108.1	L74 T95 D96 I130 F133 T158 I162	L74-L124 HydrophobicContact CD2-CD1 3.84Å; L74-L124 HydrophobicContact CD2-CD2 4.05Å; T95-L124 HydrophobicContact CG2-CB 3.96Å; T95-L124 HydrophobicContact CG2-CD1 4.38Å; D96-L124 PolarHBondContact O-N 2.93Å; L124-I130 HydrophobicContact CD1-CD1 4.27Å; L124-I130 HydrophobicContact CD2-CD1 4.46Å; L124-I130 HydrophobicContact CG-CD1 4.42Å; L124-F133 HydrophobicContact CD1-CE2 3.9Å; L124-F133 HydrophobicContact CD1-CZ 4.25Å; L124-T158 HydrophobicContact CD2-CG2 3.71Å; L124-I162 HydrophobicContact CD1-CD1 4.13Å
125	K	96	Very high	93.3	Very high	106 Å²	106	67.8 Å²	67.8	46%	0.461	39%	0.385	S	S	.	.			trans	-89	128.5	170.8	179.6	166.9	161.9	-133	0	109.5	L97 E128	L97-K125 HydrophobicContact CD2-CB 4.07Å; L97-K125 HydrophobicContact CD2-CD 4.1Å; L97-K125 HydrophobicContact CD2-CG 3.92Å; K125-E128 HydrophobicContact CB-CG 4.28Å; K125-E128 VanDerWaalsContact CD-OE1 3.28Å; K125-E128 WeakPolarHBondContact CD-OE1 3.48Å; K125-E128 WeakPolarHBondContact CE-OE1 3.28Å; K125-E128 HydrophobicContact CG-CG 4.28Å; K125-E128 IonicContact NZ-OE1 3.5Å; K125-E128 PolarHBondContact NZ-OE1 2.83Å; K125-E128 PolarHBondContact O-N 2.75Å
126	W	97	Very high	93.3	Very high	39 Å²	39	69.6 Å²	69.6	15%	0.148	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	142.6	-174.4	-55.5	-27.4	0	0	0	112.2	E128 C145 Y147 P154 L155 T158	W126-E128 VanDerWaalsContact C-N 3.26Å; W126-E128 PolarHBondContact O-N 3.08Å; W126-C145 HydrophobicContact CH2-CB 3.69Å; W126-C145 HydrophobicContact CZ2-CB 3.97Å; W126-Y147 HydrophobicContact CH2-CE1 4.43Å; W126-P154 HydrophobicContact CB-CB 3.98Å; W126-L155 HydrophobicContact CD2-CB 4.19Å; W126-L155 HydrophobicContact CD2-CD1 3.85Å; W126-L155 HydrophobicContact CE3-CB 4.03Å; W126-L155 HydrophobicContact CE3-CD1 4.32Å; W126-L155 HydrophobicContact CG-CB 4.45Å; W126-L155 HydrophobicContact CG-CD1 4.14Å; W126-L155 HydrophobicContact CZ2-CD1 4.16Å; W126-T158 WeakPolarHBondContact CA-OG1 3.15Å
127	G	95.6	Very high	93.2	Very high	21 Å²	21	65.3 Å²	65.3	22%	0.216	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-15.7	-179.1	0	0	0	0	0	115.6	P154 K157 T158	G127-P154 WeakPolarHBondContact CA-O 3.48Å; G127-P154 PolarHBondContact N-O 3.39Å; G127-K157 WeakPolarHBondContact O-CE 3.4Å; G127-K157 PolarHBondContact O-NZ 3.07Å; G127-T158 PolarHBondContact N-OG1 3.44Å
128	E	94.6	Very high	93.2	Very high	95 Å²	95	66.5 Å²	66.5	44%	0.444	37%	0.371	S	S	.	.	S	Bend	trans	-76.4	175.2	179.3	-60.9	-169.6	171.6	0	0	112.5	K125 W126	K125-E128 HydrophobicContact CB-CG 4.28Å; K125-E128 VanDerWaalsContact CD-OE1 3.28Å; K125-E128 WeakPolarHBondContact CD-OE1 3.48Å; K125-E128 WeakPolarHBondContact CE-OE1 3.28Å; K125-E128 HydrophobicContact CG-CG 4.28Å; K125-E128 IonicContact NZ-OE1 3.5Å; K125-E128 PolarHBondContact NZ-OE1 2.83Å; K125-E128 PolarHBondContact O-N 2.75Å; W126-E128 VanDerWaalsContact C-N 3.26Å; W126-E128 PolarHBondContact O-N 3.08Å
129	E	90.7	Very high	93.2	Very high	166 Å²	166	66.1 Å²	66.1	78%	0.776	36%	0.363	S	S	*	.			trans	-68.8	135.3	177	-172.2	172.2	179.8	0	0	110.4	E131	E129-E131 PolarHBondContact O-N 2.79Å
130	I	88.6	Confident	93.2	Very high	41 Å²	41	64.8 Å²	64.8	21%	0.21	36%	0.355	C	S	.	.			trans	-85.6	104	-176.3	-56.9	-57.6	0	0	0	109.4	L124 F133 T158 D161 I162	L124-I130 HydrophobicContact CD1-CD1 4.27Å; L124-I130 HydrophobicContact CD2-CD1 4.46Å; L124-I130 HydrophobicContact CG-CD1 4.42Å; I130-F133 HydrophobicContact CG2-CB 3.8Å; I130-F133 HydrophobicContact CG2-CD2 3.64Å; I130-F133 HydrophobicContact CG2-CG 4.11Å; I130-T158 HydrophobicContact CD1-CG2 4.19Å; I130-D161 HydrophobicContact CG1-CB 3.96Å; I130-I162 HydrophobicContact CD1-CD1 4.46Å; I130-I162 HydrophobicContact CG2-CD1 3.74Å; I130-I162 HydrophobicContact CG2-CG1 4.21Å
131	E	83.7	Confident	93.3	Very high	152 Å²	152	60.2 Å²	60.2	71%	0.71	33%	0.333	S	S	*	.			trans	-101.4	141.4	173.5	-65.7	-171.3	177.7	0	0	111.9	E129 F133	E129-E131 PolarHBondContact O-N 2.79Å; E131-F133 VanDerWaalsContact O-CD2 3.24Å; E131-F133 WeakPolarHBondContact O-CD2 3.29Å; E131-F133 PolarHBondContact O-N 3.17Å
132	G	77.9	Confident	93.3	Very high	52 Å²	52	59.2 Å²	59.2	54%	0.536	33%	0.325	S	S	.	.	S	Bend	trans	76.9	17.4	171.5	0	0	0	0	0	115.8	K122	K122-G132 PolarHBondContact NZ-O 3.43Å; K122-G132 VanDerWaalsContact NZ-O 3.07Å
133	F	82.9	Confident	93.3	Very high	40 Å²	40	56.9 Å²	56.9	18%	0.175	32%	0.317	C	S	.	.			trans	-122.6	78.7	170.1	-60.9	-84.4	0	0	0	109.9	L72 V93 T95 K122 L124 I130 E131 S135 I162	L72-F133 HydrophobicContact CD1-CE1 3.65Å; L72-F133 HydrophobicContact CD1-CZ 3.87Å; V93-F133 HydrophobicContact CB-CE1 4.08Å; V93-F133 HydrophobicContact CG1-CE1 3.87Å; V93-F133 HydrophobicContact CG1-CZ 3.9Å; V93-F133 HydrophobicContact CG2-CE1 4.21Å; T95-F133 HydrophobicContact CG2-CZ 4.02Å; K122-F133 HydrophobicContact CD-CZ 4.17Å; L124-F133 HydrophobicContact CD1-CE2 3.9Å; L124-F133 HydrophobicContact CD1-CZ 4.25Å; I130-F133 HydrophobicContact CG2-CB 3.8Å; I130-F133 HydrophobicContact CG2-CD2 3.64Å; I130-F133 HydrophobicContact CG2-CG 4.11Å; E131-F133 VanDerWaalsContact O-CD2 3.24Å; E131-F133 WeakPolarHBondContact O-CD2 3.29Å; E131-F133 PolarHBondContact O-N 3.17Å; F133-S135 VanDerWaalsContact C-N 3.25Å; F133-S135 PolarHBondContact O-N 3.23Å; F133-I162 HydrophobicContact CB-CD1 3.95Å; F133-I162 HydrophobicContact CB-CG1 4.25Å; F133-I162 HydrophobicContact CD1-CD1 4.08Å; F133-I162 HydrophobicContact CD2-CD1 3.9Å; F133-I162 HydrophobicContact CE2-CD1 4.42Å; F133-I162 HydrophobicContact CG-CD1 3.7Å; F133-I162 HydrophobicContact CG-CG1 4.48Å
134	P	78.9	Confident	93.2	Very high	132 Å²	132	54.2 Å²	54.2	86%	0.857	30%	0.3	S	S	*	.			trans	-72.6	-16.6	-171.2	30.1	-36.4	0	0	0	114
135	S	92.3	Very high	93.1	Very high	77 Å²	77	53.8 Å²	53.8	54%	0.538	30%	0.299	S	S	.	.	S	Bend	trans	-137.4	146.3	179.6	56.2	0	0	0	0	110.2	F133	F133-S135 VanDerWaalsContact C-N 3.25Å; F133-S135 PolarHBondContact O-N 3.23Å
136	P	97.1	Very high	93	Very high	72 Å²	72	49.1 Å²	49.1	47%	0.468	28%	0.279	S	S	.	.			trans	-58	138.9	172.4	-23.9	34.1	0	0	0	111.9	I162	P136-I162 WeakPolarHBondContact CA-O 3.39Å
137	P	98	Very high	92.4	Very high	12 Å²	12	50.9 Å²	50.9	8%	0.078	29%	0.286	C	S	.	.			trans	-72.9	157.8	175.9	32.2	-35.5	0	0	0	111	S70 L72 Y139 I140 I162 T167	S70-P137 WeakPolarHBondContact OG-CA 3.14Å; L72-P137 HydrophobicContact CB-CB 4.26Å; L72-P137 HydrophobicContact CB-CG 4.04Å; P137-Y139 VanDerWaalsContact C-N 3.3Å; P137-Y139 WeakPolarHBondContact CB-O 3.38Å; P137-I140 HydrophobicContact CG-CD1 4.19Å; P137-I140 HydrophobicContact CG-CG1 3.63Å; P137-I162 WeakPolarHBondContact CD-O 3.47Å; P137-T167 HydrophobicContact CG-CG2 4.27Å; P137-T167 WeakPolarHBondContact O-CB 3.43Å; P137-T167 VanDerWaalsContact O-CG2 3.31Å; P137-T167 WeakPolarHBondContact O-CG2 3.47Å; P137-T167 PolarHBondContact O-OG1 3.35Å
138	D	98.6	Very high	92	Very high	55 Å²	55	55.1 Å²	55.1	29%	0.294	30%	0.296	S	S	.	.	S	Bend	trans	-64.6	-40.2	170	-63.1	-84.1	0	0	0	110	R69 S70 T167 C168	R69-D138 HydrophobicContact CB-CB 4.04Å; R69-D138 IonicContact NH1-OD1 3.2Å; R69-D138 PolarHBondContact NH1-OD1 3.44Å; S70-D138 PolarHBondContact N-OD2 3.06Å; S70-D138 WeakPolarHBondContact O-CB 3.36Å; S70-D138 PolarHBondContact O-N 3.39Å; S70-D138 PolarHBondContact OG-N 2.94Å; S70-D138 PolarHBondContact OG-OD2 3.12Å; D138-T167 WeakPolarHBondContact O-CA 3.2Å; D138-C168 PolarHBondContact O-N 2.87Å
139	Y	98.9	Very high	91.5	Very high	39 Å²	39	54 Å²	54	15%	0.153	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144.9	178.7	-65.4	-97.4	0	0	0	113.4	F58 L66 R69 S70 V71 L72 P137 C168 I170	F58-Y139 HydrophobicContact CZ-CE1 4.3Å; L66-Y139 HydrophobicContact CD2-CD1 4.08Å; L66-Y139 HydrophobicContact CD2-CD2 3.74Å; L66-Y139 HydrophobicContact CD2-CE1 4.09Å; L66-Y139 HydrophobicContact CD2-CE2 3.78Å; L66-Y139 HydrophobicContact CD2-CG 3.91Å; R69-Y139 HydrophobicContact CB-CD2 4.07Å; R69-Y139 HydrophobicContact CB-CE2 4.08Å; R69-Y139 HydrophobicContact CG-CD2 4.5Å; R69-Y139 HydrophobicContact CG-CE2 4.01Å; S70-Y139 PolarHBondContact O-N 2.76Å; V71-Y139 WeakPolarHBondContact CA-O 3.41Å; V71-Y139 HydrophobicContact CG2-CD2 4.47Å; L72-Y139 PolarHBondContact N-O 3.02Å; P137-Y139 VanDerWaalsContact C-N 3.3Å; P137-Y139 WeakPolarHBondContact CB-O 3.38Å; Y139-C168 CarbonylContact C-O 3.59Å; Y139-C168 WeakPolarHBondContact CA-O 3.43Å; Y139-C168 HydrophobicContact CD1-CB 3.68Å; Y139-C168 HydrophobicContact CE1-CB 3.7Å; Y139-C168 HydrophobicContact CG-CB 4.43Å; Y139-I170 HydrophobicContact CD1-CD1 4.16Å; Y139-I170 HydrophobicContact CE1-CD1 4.39Å
140	I	98.9	Very high	91.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.3	162.6	-59.1	173.1	0	0	0	108.2	L72 L74 P137 M142 L159 I162 T167 C168 I169 I170	L72-I140 HydrophobicContact CB-CG1 4.44Å; L72-I140 CarbonylContact O-C 3.55Å; L72-I140 VanDerWaalsContact O-CA 3.22Å; L72-I140 WeakPolarHBondContact O-CA 3.42Å; L74-I140 HydrophobicContact CD1-CG2 4Å; L74-I140 HydrophobicContact CG-CG2 4.1Å; P137-I140 HydrophobicContact CG-CD1 4.19Å; P137-I140 HydrophobicContact CG-CG1 3.63Å; I140-M142 HydrophobicContact CG2-CG 4.47Å; I140-L159 HydrophobicContact CD1-CD2 4.21Å; I140-L159 HydrophobicContact CG2-CD2 3.92Å; I140-I162 HydrophobicContact CD1-CG2 3.48Å; I140-I162 VanDerWaalsContact CD1-CG2 3.48Å; I140-T167 HydrophobicContact CD1-CG2 3.85Å; I140-T167 HydrophobicContact CG1-CG2 3.73Å; I140-C168 PolarHBondContact N-O 2.9Å; I140-I169 HydrophobicContact CB-CB 4.39Å; I140-I169 HydrophobicContact CB-CG1 4.08Å; I140-I169 HydrophobicContact CB-CG2 4.2Å; I140-I169 HydrophobicContact CD1-CD1 4.38Å; I140-I169 HydrophobicContact CD1-CG1 4.11Å; I140-I169 HydrophobicContact CG1-CG1 4.41Å; I140-I169 HydrophobicContact CG2-CG2 4.38Å; I140-I169 CarbonylContact O-C 3.6Å; I140-I169 WeakPolarHBondContact O-CA 3.4Å; I140-I170 PolarHBondContact O-N 3.16Å
141	L	98.9	Very high	91.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139.3	177.8	-54.7	179.9	0	0	0	109.7	L53 V71 L72 E73 L74 V81 A85 I170	L53-L141 HydrophobicContact CD1-CD1 4.07Å; V71-L141 HydrophobicContact CG1-CD1 3.58Å; V71-L141 HydrophobicContact CG1-CG 3.84Å; L72-L141 PolarHBondContact O-N 3.44Å; E73-L141 WeakPolarHBondContact CA-O 3.3Å; E73-L141 HydrophobicContact CB-CB 4.43Å; E73-L141 HydrophobicContact CG-CB 4.33Å; L74-L141 PolarHBondContact N-O 2.86Å; V81-L141 HydrophobicContact CG1-CD1 3.91Å; A85-L141 HydrophobicContact CB-CD1 4.15Å; L141-I170 WeakPolarHBondContact CA-O 3.14Å; L141-I170 HydrophobicContact CD2-CB 3.95Å; L141-I170 HydrophobicContact CD2-CD1 4.03Å; L141-I170 HydrophobicContact CD2-CG1 4.26Å
142	M	98.6	Very high	91.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	129.9	174.2	-65	-176.1	-61.5	0	0	108.9	L49 L74 I140 C145 L155 L159 I169 I170 C171 C172 I220	L49-M142 WeakPolarHBondContact CD2-O 3.28Å; L74-M142 HydrophobicContact CB-CG 4.1Å; L74-M142 HydrophobicContact CD1-CG 4.39Å; L74-M142 HydrophobicContact CD1-SD 4.16Å; I140-M142 HydrophobicContact CG2-CG 4.47Å; M142-C145 HydrophobicContact CB-CB 4.41Å; M142-L155 HydrophobicContact SD-CD1 3.88Å; M142-L155 HydrophobicContact SD-CD2 4.33Å; M142-L155 HydrophobicContact SD-CG 4.43Å; M142-L159 HydrophobicContact CE-CD1 3.81Å; M142-L159 HydrophobicContact CE-CD2 4.16Å; M142-L159 HydrophobicContact SD-CD1 3.99Å; M142-L159 HydrophobicContact SD-CD2 3.88Å; M142-L159 HydrophobicContact SD-CG 4.32Å; M142-I169 HydrophobicContact CE-CG2 3.92Å; M142-I170 PolarHBondContact N-O 3.37Å; M142-C171 HydrophobicContact CE-CB 3.66Å; M142-C172 PolarHBondContact O-N 3.18Å; M142-I220 HydrophobicContact CE-CD1 4.35Å
143	A	98.3	Very high	92.5	Very high	13 Å²	13	47.2 Å²	47.2	11%	0.107	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.5	172.5	0	0	0	0	0	109.5	A46 L49 V81 C145 C172	A46-A143 HydrophobicContact CB-CB 3.9Å; L49-A143 HydrophobicContact CD2-CB 4.34Å; V81-A143 HydrophobicContact CG2-CB 3.83Å; A143-C145 VanDerWaalsContact C-N 3.28Å; A143-C145 PolarHBondContact O-N 3.47Å; A143-C172 CarbonylContact C-O 3.5Å; A143-C172 WeakPolarHBondContact CA-O 3.39Å
144	D	95.3	Very high	93.2	Very high	13 Å²	13	47.3 Å²	47.3	7%	0.07	25%	0.252	C	S	.	.	S	Bend	trans	59.1	31.5	175.7	-138.7	20.5	0	0	0	115.5	W43 A45 I146 Y147 C172 E174 R176	W43-D144 HydrophobicContact CB-CB 4.33Å; A45-D144 HydrophobicContact CB-CB 4.05Å; D144-I146 VanDerWaalsContact C-N 3.27Å; D144-I146 PolarHBondContact O-N 2.86Å; D144-Y147 WeakPolarHBondContact O-CD1 3.47Å; D144-C172 PolarHBondContact N-O 3.31Å; D144-E174 PolarHBondContact OD1-N 3.32Å; D144-R176 IonicContact OD1-CZ 3.88Å; D144-R176 IonicContact OD1-NH1 3.15Å; D144-R176 PolarHBondContact OD1-NH1 2.8Å; D144-R176 IonicContact OD1-NH2 2.74Å; D144-R176 PolarHBondContact OD1-NH2 3.44Å; D144-R176 IonicContact OD2-CZ 3.46Å; D144-R176 IonicContact OD2-NH1 3.38Å; D144-R176 PolarHBondContact OD2-NH1 3.4Å; D144-R176 IonicContact OD2-NH2 2.7Å; D144-R176 PolarHBondContact OD2-NH2 3.29Å
145	C	95.1	Very high	94.1	Very high	4 Å²	4	41 Å²	41	3%	0.027	21%	0.211	C	C	.	.			trans	-81	1	-179.6	-58.6	0	0	0	0	114.4	L74 W126 M142 A143 L155	L74-C145 PolarHBondContact O-SG 2.69Å; W126-C145 HydrophobicContact CH2-CB 3.69Å; W126-C145 HydrophobicContact CZ2-CB 3.97Å; M142-C145 HydrophobicContact CB-CB 4.41Å; A143-C145 VanDerWaalsContact C-N 3.28Å; A143-C145 PolarHBondContact O-N 3.47Å; C145-L155 HydrophobicContact CB-CD2 4.07Å
146	I	93.4	Very high	94.4	Very high	9 Å²	9	38 Å²	38	5%	0.046	19%	0.189	C	C	.	.			trans	-108.9	85	-175.3	-50.6	166.5	0	0	0	109.4	D144 L152 Y173 I184 Y188	D144-I146 VanDerWaalsContact C-N 3.27Å; D144-I146 PolarHBondContact O-N 2.86Å; I146-L152 HydrophobicContact CG2-CD2 4.24Å; I146-Y173 HydrophobicContact CD1-CD1 4.01Å; I146-Y173 HydrophobicContact CD1-CD2 4.47Å; I146-Y173 HydrophobicContact CD1-CG 3.97Å; I146-I184 HydrophobicContact CG2-CG2 4.35Å; I146-Y188 HydrophobicContact CD1-CD1 3.56Å; I146-Y188 HydrophobicContact CD1-CD2 4.45Å; I146-Y188 HydrophobicContact CD1-CE1 3.4Å; I146-Y188 VanDerWaalsContact CD1-CE1 3.4Å; I146-Y188 HydrophobicContact CD1-CE2 4.31Å; I146-Y188 HydrophobicContact CD1-CG 4.08Å; I146-Y188 HydrophobicContact CG1-CD1 4.19Å; I146-Y188 HydrophobicContact CG1-CD2 4.22Å; I146-Y188 HydrophobicContact CG1-CE1 4.14Å; I146-Y188 HydrophobicContact CG1-CE2 4.16Å; I146-Y188 HydrophobicContact CG1-CG 4.22Å; I146-Y188 HydrophobicContact CG2-CD1 4.39Å; I146-Y188 HydrophobicContact CG2-CD2 4.44Å; I146-Y188 HydrophobicContact CG2-CG 4.01Å
147	Y	83.6	Confident	94.4	Very high	75 Å²	75	38.8 Å²	38.8	29%	0.294	19%	0.185	S	C	.	.			trans	-149.7	-19.3	-173.4	67.4	-70	0	0	0	115.9	W126 D144	W126-Y147 HydrophobicContact CH2-CE1 4.43Å; D144-Y147 WeakPolarHBondContact O-CD1 3.47Å
148	Y	87.1	Confident	94.4	Very high	111 Å²	111	38.2 Å²	38.2	44%	0.435	18%	0.181	S	C	.	.			trans	-123.4	134.4	173.7	-62.5	-44.2	0	0	0	111.6	E150 S151	Y148-E150 VanDerWaalsContact C-N 3.29Å; Y148-E150 PolarHBondContact O-N 3.5Å; Y148-S151 PolarHBondContact O-N 3.23Å; Y148-S151 VanDerWaalsContact O-N 3.12Å
149	E	84.4	Confident	94.4	Very high	72 Å²	72	35.6 Å²	35.6	34%	0.336	17%	0.167	S	C	.	.	H	α-helix	trans	-61.1	-40.1	-176.5	-168.8	176.1	173	0	0	111.6	S151 L152 I184 K187	E149-S151 PolarHBondContact O-N 3.47Å; E149-L152 WeakPolarHBondContact O-CG 3.17Å; E149-L152 PolarHBondContact O-N 3Å; E149-I184 HydrophobicContact CB-CD1 4.22Å; E149-I184 HydrophobicContact CB-CG1 3.94Å; E149-I184 HydrophobicContact CG-CG1 4.5Å; E149-K187 HydrophobicContact CG-CD 4.31Å; E149-K187 IonicContact OE1-NZ 2.86Å; E149-K187 PolarHBondContact OE1-NZ 3.39Å; E149-K187 VanDerWaalsContact OE1-NZ 3.15Å
150	E	86.5	Confident	94.3	Very high	150 Å²	150	37.1 Å²	37.1	70%	0.701	18%	0.175	S	C	*	.	H	α-helix	trans	-68.5	-14.7	-178.3	-58.5	85.7	167.7	0	0	113	Y148 P154	Y148-E150 VanDerWaalsContact C-N 3.29Å; Y148-E150 PolarHBondContact O-N 3.5Å; E150-P154 WeakPolarHBondContact O-CD 3.45Å; E150-P154 WeakPolarHBondContact O-CG 3.21Å
151	S	86.8	Confident	94.1	Very high	30 Å²	30	41.3 Å²	41.3	21%	0.21	20%	0.197	C	C	.	.	H	α-helix	trans	-95	-11.3	-179.3	-61.6	0	0	0	0	113.3	Y148 E149 L155	Y148-S151 PolarHBondContact O-N 3.23Å; Y148-S151 VanDerWaalsContact O-N 3.12Å; E149-S151 PolarHBondContact O-N 3.47Å; S151-L155 WeakPolarHBondContact O-CB 3.3Å; S151-L155 PolarHBondContact O-N 3.12Å
152	L	93.3	Very high	94	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-65.4	-58.1	-174	-60.9	-175.7	0	0	0	112.6	I146 E149 L155 L156 I184 K187 Y188	I146-L152 HydrophobicContact CG2-CD2 4.24Å; E149-L152 WeakPolarHBondContact O-CG 3.17Å; E149-L152 PolarHBondContact O-N 3Å; L152-L155 PolarHBondContact O-N 2.94Å; L152-L156 WeakPolarHBondContact O-CG 3.47Å; L152-L156 PolarHBondContact O-N 3.03Å; L152-I184 HydrophobicContact CD1-CG2 4.07Å; L152-I184 WeakPolarHBondContact CD1-O 3.36Å; L152-I184 HydrophobicContact CD2-CG2 3.92Å; L152-I184 HydrophobicContact CG-CG2 4.29Å; L152-K187 HydrophobicContact CD1-CB 3.96Å; L152-K187 HydrophobicContact CD1-CD 3.97Å; L152-K187 HydrophobicContact CD1-CG 3.97Å; L152-Y188 HydrophobicContact CD2-CD2 4.03Å; L152-Y188 HydrophobicContact CD2-CG 4.43Å
153	E	96.4	Very high	94	Very high	87 Å²	87	41.9 Å²	41.9	41%	0.407	20%	0.2	S	C	.	.	H	α-helix	trans	-62.2	-43.7	179.9	-62.8	87.4	160.5	0	0	112.3	L156 K157 K187 L191	E153-L156 PolarHBondContact O-N 3.09Å; E153-K157 WeakPolarHBondContact O-CB 3.24Å; E153-K157 PolarHBondContact O-N 3.32Å; E153-K187 VanDerWaalsContact OE1-CE 3.29Å; E153-K187 WeakPolarHBondContact OE1-CE 3.44Å; E153-K187 IonicContact OE1-NZ 3.39Å; E153-K187 PolarHBondContact OE1-NZ 3.27Å; E153-K187 IonicContact OE2-NZ 2.74Å; E153-L191 HydrophobicContact CG-CD1 4.03Å
154	P	97.4	Very high	93.9	Very high	41 Å²	41	42 Å²	42	27%	0.266	20%	0.203	S	C	.	.	H	α-helix	trans	-58	-44.7	172.5	-27.4	36.4	0	0	0	114	W126 G127 E150 K157 T158	W126-P154 HydrophobicContact CB-CB 3.98Å; G127-P154 WeakPolarHBondContact CA-O 3.48Å; G127-P154 PolarHBondContact N-O 3.39Å; E150-P154 WeakPolarHBondContact O-CD 3.45Å; E150-P154 WeakPolarHBondContact O-CG 3.21Å; P154-K157 PolarHBondContact O-N 3.26Å; P154-T158 PolarHBondContact O-N 3.4Å; P154-T158 PolarHBondContact O-OG1 3.21Å
155	L	97.9	Very high	94	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-62.3	-48.8	178.8	175.6	61	0	0	0	111.2	L74 W126 M142 C145 S151 L152 K157 T158 L159 Y188	L74-L155 HydrophobicContact CD1-CD1 4.07Å; W126-L155 HydrophobicContact CD2-CB 4.19Å; W126-L155 HydrophobicContact CD2-CD1 3.85Å; W126-L155 HydrophobicContact CE3-CB 4.03Å; W126-L155 HydrophobicContact CE3-CD1 4.32Å; W126-L155 HydrophobicContact CG-CB 4.45Å; W126-L155 HydrophobicContact CG-CD1 4.14Å; W126-L155 HydrophobicContact CZ2-CD1 4.16Å; M142-L155 HydrophobicContact SD-CD1 3.88Å; M142-L155 HydrophobicContact SD-CD2 4.33Å; M142-L155 HydrophobicContact SD-CG 4.43Å; C145-L155 HydrophobicContact CB-CD2 4.07Å; S151-L155 WeakPolarHBondContact O-CB 3.3Å; S151-L155 PolarHBondContact O-N 3.12Å; L152-L155 PolarHBondContact O-N 2.94Å; L155-K157 VanDerWaalsContact C-N 3.32Å; L155-K157 PolarHBondContact O-N 3.47Å; L155-T158 WeakPolarHBondContact O-CB 3.43Å; L155-T158 PolarHBondContact O-N 3Å; L155-T158 VanDerWaalsContact O-N 3.16Å; L155-L159 HydrophobicContact CG-CD1 4.5Å; L155-L159 PolarHBondContact O-N 2.88Å; L155-Y188 HydrophobicContact CD2-CE2 4.17Å
156	L	97.9	Very high	94.1	Very high	13 Å²	13	51 Å²	51	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-37.3	179.2	-69.9	172.7	0	0	0	111.8	L152 E153 L159 K160 Y188 L191 L192	L152-L156 WeakPolarHBondContact O-CG 3.47Å; L152-L156 PolarHBondContact O-N 3.03Å; E153-L156 PolarHBondContact O-N 3.09Å; L156-L159 HydrophobicContact CD2-CD1 4.28Å; L156-L159 PolarHBondContact O-N 3.16Å; L156-K160 VanDerWaalsContact O-CG 3.3Å; L156-K160 WeakPolarHBondContact O-CG 3.32Å; L156-K160 PolarHBondContact O-N 3.26Å; L156-Y188 HydrophobicContact CD2-CD2 4.31Å; L156-Y188 HydrophobicContact CD2-CE2 3.78Å; L156-Y188 HydrophobicContact CG-CD2 4.43Å; L156-Y188 HydrophobicContact CG-CE2 4.24Å; L156-L191 HydrophobicContact CD1-CB 3.25Å; L156-L191 HydrophobicContact CD1-CD1 4.02Å; L156-L191 HydrophobicContact CD1-CG 4.28Å; L156-L192 HydrophobicContact CD2-CB 4.13Å; L156-L192 HydrophobicContact CD2-CD1 3.53Å; L156-L192 HydrophobicContact CD2-CG 4.46Å
157	K	97.3	Very high	94.4	Very high	88 Å²	88	50.7 Å²	50.7	38%	0.383	24%	0.242	S	C	.	.	H	α-helix	trans	-58.5	-49.9	171.2	179	-177.7	173.2	-62.7	0	110.8	G127 E153 P154 L155 L159 K160 D161	G127-K157 WeakPolarHBondContact O-CE 3.4Å; G127-K157 PolarHBondContact O-NZ 3.07Å; E153-K157 WeakPolarHBondContact O-CB 3.24Å; E153-K157 PolarHBondContact O-N 3.32Å; P154-K157 PolarHBondContact O-N 3.26Å; L155-K157 VanDerWaalsContact C-N 3.32Å; L155-K157 PolarHBondContact O-N 3.47Å; K157-L159 PolarHBondContact O-N 3.4Å; K157-K160 WeakPolarHBondContact O-CB 3.19Å; K157-K160 PolarHBondContact O-N 3.14Å; K157-K160 VanDerWaalsContact O-N 3.14Å; K157-D161 WeakPolarHBondContact CG-OD2 3.25Å; K157-D161 IonicContact NZ-OD2 3.39Å; K157-D161 PolarHBondContact NZ-OD2 2.94Å; K157-D161 VanDerWaalsContact O-CG 3.23Å; K157-D161 PolarHBondContact O-N 3.32Å
158	T	97.9	Very high	95.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.6	-45.9	176.8	-72.2	0	0	0	0	112.1	L74 L124 W126 G127 I130 P154 L155 K160 D161 I162	L74-T158 HydrophobicContact CD1-CG2 4Å; L74-T158 HydrophobicContact CD2-CG2 4.07Å; L124-T158 HydrophobicContact CD2-CG2 3.71Å; W126-T158 WeakPolarHBondContact CA-OG1 3.15Å; G127-T158 PolarHBondContact N-OG1 3.44Å; I130-T158 HydrophobicContact CD1-CG2 4.19Å; P154-T158 PolarHBondContact O-N 3.4Å; P154-T158 PolarHBondContact O-OG1 3.21Å; L155-T158 WeakPolarHBondContact O-CB 3.43Å; L155-T158 PolarHBondContact O-N 3Å; L155-T158 VanDerWaalsContact O-N 3.16Å; T158-K160 VanDerWaalsContact C-N 3.3Å; T158-K160 PolarHBondContact O-N 3.35Å; T158-D161 PolarHBondContact O-N 3.17Å; T158-I162 WeakPolarHBondContact O-CB 3.27Å; T158-I162 VanDerWaalsContact O-CG2 3.29Å; T158-I162 WeakPolarHBondContact O-CG2 3.38Å; T158-I162 PolarHBondContact O-N 2.74Å
159	L	98	Very high	95.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.1	-43.8	176.2	-71.1	174.6	0	0	0	111.2	L74 I140 M142 L155 L156 K157 S163 I169 F196	L74-L159 HydrophobicContact CD1-CD2 3.66Å; L74-L159 HydrophobicContact CD1-CG 4.33Å; I140-L159 HydrophobicContact CD1-CD2 4.21Å; I140-L159 HydrophobicContact CG2-CD2 3.92Å; M142-L159 HydrophobicContact CE-CD1 3.81Å; M142-L159 HydrophobicContact CE-CD2 4.16Å; M142-L159 HydrophobicContact SD-CD1 3.99Å; M142-L159 HydrophobicContact SD-CD2 3.88Å; M142-L159 HydrophobicContact SD-CG 4.32Å; L155-L159 HydrophobicContact CG-CD1 4.5Å; L155-L159 PolarHBondContact O-N 2.88Å; L156-L159 HydrophobicContact CD2-CD1 4.28Å; L156-L159 PolarHBondContact O-N 3.16Å; K157-L159 PolarHBondContact O-N 3.4Å; L159-S163 WeakPolarHBondContact O-CB 3.33Å; L159-S163 PolarHBondContact O-N 3.27Å; L159-S163 PolarHBondContact O-OG 3.14Å; L159-I169 HydrophobicContact CD2-CD1 4.33Å; L159-I169 HydrophobicContact CD2-CG2 4.23Å; L159-F196 HydrophobicContact CB-CE2 4.44Å; L159-F196 HydrophobicContact CB-CZ 3.9Å
160	K	96.8	Very high	96.3	Very high	72 Å²	72	39.1 Å²	39.1	31%	0.313	20%	0.196	S	C	.	.	H	α-helix	trans	-64.9	-40	177.2	-71.5	175.6	68	165.1	0	112.6	L156 K157 T158 D195 F196 K222	L156-K160 VanDerWaalsContact O-CG 3.3Å; L156-K160 WeakPolarHBondContact O-CG 3.32Å; L156-K160 PolarHBondContact O-N 3.26Å; K157-K160 WeakPolarHBondContact O-CB 3.19Å; K157-K160 PolarHBondContact O-N 3.14Å; K157-K160 VanDerWaalsContact O-N 3.14Å; T158-K160 VanDerWaalsContact C-N 3.3Å; T158-K160 PolarHBondContact O-N 3.35Å; K160-D195 HydrophobicContact CD-CB 3.98Å; K160-D195 WeakPolarHBondContact CD-OD2 3.32Å; K160-D195 VanDerWaalsContact CE-OD1 3.23Å; K160-D195 WeakPolarHBondContact CE-OD1 3.24Å; K160-D195 VanDerWaalsContact CE-OD2 3.26Å; K160-D195 WeakPolarHBondContact CE-OD2 3.48Å; K160-D195 HydrophobicContact CG-CB 4.17Å; K160-D195 IonicContact NZ-OD1 3.66Å; K160-D195 PolarHBondContact NZ-OD1 3.3Å; K160-D195 IonicContact NZ-OD2 2.7Å; K160-D195 PolarHBondContact NZ-OD2 2.95Å; K160-F196 HydrophobicContact CB-CZ 4.45Å; K160-F196 HydrophobicContact CD-CE2 4.44Å; K160-F196 HydrophobicContact CG-CE2 3.54Å; K160-F196 HydrophobicContact CG-CZ 3.69Å; K160-K222 WeakPolarHBondContact O-CE 3.27Å; K160-K222 PolarHBondContact O-NZ 3.35Å
161	D	95.9	Very high	96.9	Very high	87 Å²	87	32 Å²	32	47%	0.465	16%	0.163	S	C	.	.	H	α-helix	trans	-72.2	-36.6	-175.7	-68.2	-14.7	0	0	0	111.3	I130 K157 T158	I130-D161 HydrophobicContact CG1-CB 3.96Å; K157-D161 WeakPolarHBondContact CG-OD2 3.25Å; K157-D161 IonicContact NZ-OD2 3.39Å; K157-D161 PolarHBondContact NZ-OD2 2.94Å; K157-D161 VanDerWaalsContact O-CG 3.23Å; K157-D161 PolarHBondContact O-N 3.32Å; T158-D161 PolarHBondContact O-N 3.17Å
162	I	97	Very high	97.5	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.041	15%	0.153	C	C	.	.	H	α-helix	trans	-97.1	-27.6	-172.5	-150.8	155.5	0	0	0	114.1	L72 L124 I130 F133 P136 P137 I140 T158	L72-I162 HydrophobicContact CD2-CD1 3.29Å; L72-I162 HydrophobicContact CD2-CG1 3.99Å; L72-I162 HydrophobicContact CD2-CG2 4.09Å; L124-I162 HydrophobicContact CD1-CD1 4.13Å; I130-I162 HydrophobicContact CD1-CD1 4.46Å; I130-I162 HydrophobicContact CG2-CD1 3.74Å; I130-I162 HydrophobicContact CG2-CG1 4.21Å; F133-I162 HydrophobicContact CB-CD1 3.95Å; F133-I162 HydrophobicContact CB-CG1 4.25Å; F133-I162 HydrophobicContact CD1-CD1 4.08Å; F133-I162 HydrophobicContact CD2-CD1 3.9Å; F133-I162 HydrophobicContact CE2-CD1 4.42Å; F133-I162 HydrophobicContact CG-CD1 3.7Å; F133-I162 HydrophobicContact CG-CG1 4.48Å; P136-I162 WeakPolarHBondContact CA-O 3.39Å; P137-I162 WeakPolarHBondContact CD-O 3.47Å; I140-I162 HydrophobicContact CD1-CG2 3.48Å; I140-I162 VanDerWaalsContact CD1-CG2 3.48Å; T158-I162 WeakPolarHBondContact O-CB 3.27Å; T158-I162 VanDerWaalsContact O-CG2 3.29Å; T158-I162 WeakPolarHBondContact O-CG2 3.38Å; T158-I162 PolarHBondContact O-N 2.74Å
163	S	97.4	Very high	97.7	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.028	16%	0.155	C	C	.	.			trans	-79.7	139.1	-178.9	66.1	0	0	0	0	112.6	L159 K222	L159-S163 WeakPolarHBondContact O-CB 3.33Å; L159-S163 PolarHBondContact O-N 3.27Å; L159-S163 PolarHBondContact O-OG 3.14Å; S163-K222 WeakPolarHBondContact O-CD 3.48Å; S163-K222 PolarHBondContact O-NZ 2.94Å
164	G	96.8	Very high	97.8	Very high	15 Å²	15	29.8 Å²	29.8	16%	0.155	15%	0.148	C	C	.	.			trans	-93.5	175.8	166.4	0	0	0	0	0	110.3	E166 T167	G164-E166 PolarHBondContact O-N 3.48Å; G164-T167 PolarHBondContact N-OG1 3.22Å; G164-T167 WeakPolarHBondContact O-CB 3.29Å; G164-T167 PolarHBondContact O-N 3.03Å
165	F	97.2	Very high	97.8	Very high	81 Å²	81	31.2 Å²	31.2	36%	0.355	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.5	179.2	-54.9	-63.8	0	0	0	114.2	K222 K223 K224	F165-K222 HydrophobicContact CD1-CB 4.39Å; F165-K222 HydrophobicContact CD1-CD 4.18Å; F165-K222 HydrophobicContact CD1-CG 4.32Å; F165-K222 HydrophobicContact CE1-CD 4.25Å; F165-K223 VanDerWaalsContact CE1-O 3.31Å; F165-K223 WeakPolarHBondContact CE1-O 3.39Å; F165-K224 HydrophobicContact CB-CD 4.21Å; F165-K224 HydrophobicContact CB-CG 3.83Å; F165-K224 HydrophobicContact CD1-CB 4.41Å; F165-K224 HydrophobicContact CD1-CG 3.58Å; F165-K224 HydrophobicContact CD2-CG 4.31Å; F165-K224 HydrophobicContact CE1-CG 4.18Å; F165-K224 HydrophobicContact CG-CD 4.4Å; F165-K224 HydrophobicContact CG-CG 3.66Å
166	E	97.4	Very high	97.6	Very high	126 Å²	126	33.4 Å²	33.4	59%	0.589	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-5.1	177.1	-54.4	-53	139.3	0	0	112.6	G164 C168 K224	G164-E166 PolarHBondContact O-N 3.48Å; E166-C168 PolarHBondContact O-N 2.92Å; E166-K224 WeakPolarHBondContact OE1-CE 3.43Å; E166-K224 IonicContact OE1-NZ 2.85Å; E166-K224 PolarHBondContact OE1-NZ 3.07Å
167	T	98.6	Very high	97.3	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.018	19%	0.19	C	C	.	.			trans	-65.3	127	176.8	-59.3	0	0	0	0	109.8	P137 D138 I140 G164 I169	P137-T167 HydrophobicContact CG-CG2 4.27Å; P137-T167 WeakPolarHBondContact O-CB 3.43Å; P137-T167 VanDerWaalsContact O-CG2 3.31Å; P137-T167 WeakPolarHBondContact O-CG2 3.47Å; P137-T167 PolarHBondContact O-OG1 3.35Å; D138-T167 WeakPolarHBondContact O-CA 3.2Å; I140-T167 HydrophobicContact CD1-CG2 3.85Å; I140-T167 HydrophobicContact CG1-CG2 3.73Å; G164-T167 PolarHBondContact N-OG1 3.22Å; G164-T167 WeakPolarHBondContact O-CB 3.29Å; G164-T167 PolarHBondContact O-N 3.03Å; T167-I169 HydrophobicContact CG2-CG1 4.03Å
168	C	98.7	Very high	97	Very high	15 Å²	15	41.4 Å²	41.4	10%	0.101	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	111.2	171.6	-179.6	0	0	0	0	109.4	D138 Y139 I140 E166	D138-C168 PolarHBondContact O-N 2.87Å; Y139-C168 CarbonylContact C-O 3.59Å; Y139-C168 WeakPolarHBondContact CA-O 3.43Å; Y139-C168 HydrophobicContact CD1-CB 3.68Å; Y139-C168 HydrophobicContact CE1-CB 3.7Å; Y139-C168 HydrophobicContact CG-CB 4.43Å; I140-C168 PolarHBondContact N-O 2.9Å; E166-C168 PolarHBondContact O-N 2.92Å
169	I	98.9	Very high	96.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.1	178.3	-52.7	170.8	0	0	0	107.4	I140 M142 L159 T167 F196 I220	I140-I169 HydrophobicContact CB-CB 4.39Å; I140-I169 HydrophobicContact CB-CG1 4.08Å; I140-I169 HydrophobicContact CB-CG2 4.2Å; I140-I169 HydrophobicContact CD1-CD1 4.38Å; I140-I169 HydrophobicContact CD1-CG1 4.11Å; I140-I169 HydrophobicContact CG1-CG1 4.41Å; I140-I169 HydrophobicContact CG2-CG2 4.38Å; I140-I169 CarbonylContact O-C 3.6Å; I140-I169 WeakPolarHBondContact O-CA 3.4Å; M142-I169 HydrophobicContact CE-CG2 3.92Å; L159-I169 HydrophobicContact CD2-CD1 4.33Å; L159-I169 HydrophobicContact CD2-CG2 4.23Å; T167-I169 HydrophobicContact CG2-CG1 4.03Å; I169-F196 HydrophobicContact CD1-CD1 4.07Å; I169-F196 HydrophobicContact CD1-CE1 3.69Å; I169-I220 HydrophobicContact CB-CB 3.83Å; I169-I220 HydrophobicContact CB-CG2 4.31Å; I169-I220 WeakPolarHBondContact CB-O 3.47Å; I169-I220 HydrophobicContact CD1-CG2 4.14Å; I169-I220 HydrophobicContact CG2-CB 4.01Å; I169-I220 HydrophobicContact CG2-CD1 4.24Å; I169-I220 HydrophobicContact CG2-CG2 4.46Å; I169-I220 PolarHBondContact N-O 3.29Å; I169-I220 PolarHBondContact O-N 3.4Å
170	I	98.9	Very high	96.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	114.2	177.3	-50.8	174.5	0	0	0	107.7	L49 L53 F58 Y139 I140 L141 M142 I217 Y219	L49-I170 HydrophobicContact CD1-CG2 3.6Å; L53-I170 HydrophobicContact CD2-CD1 4.44Å; F58-I170 HydrophobicContact CE2-CD1 3.61Å; F58-I170 HydrophobicContact CZ-CD1 3.89Å; Y139-I170 HydrophobicContact CD1-CD1 4.16Å; Y139-I170 HydrophobicContact CE1-CD1 4.39Å; I140-I170 PolarHBondContact O-N 3.16Å; L141-I170 WeakPolarHBondContact CA-O 3.14Å; L141-I170 HydrophobicContact CD2-CB 3.95Å; L141-I170 HydrophobicContact CD2-CD1 4.03Å; L141-I170 HydrophobicContact CD2-CG1 4.26Å; M142-I170 PolarHBondContact N-O 3.37Å; I170-I217 HydrophobicContact CG2-CG2 3.7Å; I170-Y219 HydrophobicContact CD1-CE1 3.98Å; I170-Y219 HydrophobicContact CG1-CD1 4.12Å; I170-Y219 HydrophobicContact CG1-CE1 3.83Å; I170-Y219 HydrophobicContact CG2-CD1 4.21Å; I170-Y219 HydrophobicContact CG2-CE1 4.03Å
171	C	98.8	Very high	96.3	Very high	1 Å²	1	50 Å²	50	1%	0.007	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120	179.2	-178.3	0	0	0	0	109.4	M142 I217 I218 I220	M142-C171 HydrophobicContact CE-CB 3.66Å; C171-I217 CarbonylContact O-C 3.29Å; C171-I217 WeakPolarHBondContact O-CA 3Å; C171-I218 HydrophobicContact CB-CB 4.39Å; C171-I218 PolarHBondContact N-O 3.26Å; C171-I218 PolarHBondContact O-N 3.03Å; C171-I220 HydrophobicContact CB-CD1 3.7Å
172	C	98.8	Very high	96.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.1	171.1	-169	0	0	0	0	109.3	A45 L49 M142 A143 D144 I215 H216 I217	A45-C172 PolarHBondContact O-SG 3.13Å; A45-C172 VanDerWaalsContact O-SG 3.33Å; L49-C172 HydrophobicContact CB-CB 3.64Å; L49-C172 HydrophobicContact CD1-CB 4.19Å; L49-C172 HydrophobicContact CD2-CB 3.82Å; L49-C172 HydrophobicContact CG-CB 4.08Å; M142-C172 PolarHBondContact O-N 3.18Å; A143-C172 CarbonylContact C-O 3.5Å; A143-C172 WeakPolarHBondContact CA-O 3.39Å; D144-C172 PolarHBondContact N-O 3.31Å; C172-I215 VanDerWaalsContact SG-CG2 3.56Å; C172-H216 VanDerWaalsContact CA-O 3.24Å; C172-H216 WeakPolarHBondContact CA-O 3.22Å; C172-I217 HydrophobicContact CB-CG1 4.21Å
173	Y	98.3	Very high	96.2	Very high	12 Å²	12	53.7 Å²	53.7	5%	0.047	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	154.5	176.8	74.4	-76.8	0	0	0	111.1	I146 Q175 E185 F189 I215 H216 I218	I146-Y173 HydrophobicContact CD1-CD1 4.01Å; I146-Y173 HydrophobicContact CD1-CD2 4.47Å; I146-Y173 HydrophobicContact CD1-CG 3.97Å; Y173-Q175 HydrophobicContact CE2-CB 4.43Å; Y173-E185 HydrophobicContact CE2-CG 4Å; Y173-E185 WeakPolarHBondContact CE2-OE1 3.4Å; Y173-E185 PolarHBondContact OH-OE1 2.82Å; Y173-F189 HydrophobicContact CE1-CE2 4.29Å; Y173-F189 AromaticContact CE1-CZ 3.8Å; Y173-F189 HydrophobicContact CE1-CZ 3.8Å; Y173-F189 AromaticContact CZ-CE2 3.91Å; Y173-F189 AromaticContact CZ-CZ 3.89Å; Y173-F189 WeakPolarHBondContact OH-CE2 3.09Å; Y173-I215 WeakPolarHBondContact O-CA 3.38Å; Y173-H216 HydrophobicContact CD1-CB 4.29Å; Y173-H216 HydrophobicContact CE1-CB 3.76Å; Y173-H216 AromaticContact CZ-CD2 3.75Å; Y173-H216 PolarHBondContact N-O 3.43Å; Y173-H216 VanDerWaalsContact N-O 3.08Å; Y173-H216 PolarHBondContact O-N 3.32Å; Y173-I218 HydrophobicContact CE1-CD1 4.44Å; Y173-I218 HydrophobicContact CE1-CG1 3.99Å
174	E	97.8	Very high	96.1	Very high	58 Å²	58	54 Å²	54	27%	0.271	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.2	170.3	-175.1	-168.9	169.7	0	0	109.4	D144 R176 D214 I215	D144-E174 PolarHBondContact OD1-N 3.32Å; E174-R176 PolarHBondContact O-N 3.02Å; E174-R176 IonicContact OE2-CZ 3.64Å; E174-R176 IonicContact OE2-NE 2.7Å; E174-R176 IonicContact OE2-NH2 3.44Å; E174-R176 PolarHBondContact OE2-NH2 2.96Å; E174-D214 CarbonylContact C-O 3.48Å; E174-D214 WeakPolarHBondContact CA-O 3.42Å; E174-I215 HydrophobicContact CB-CG1 4.08Å; E174-I215 HydrophobicContact CG-CG1 4.09Å
175	Q	96.9	Very high	96.1	Very high	71 Å²	71	54.7 Å²	54.7	33%	0.332	29%	0.286	S	S	.	.			trans	-70	122.3	173.1	-179.5	165.8	35.5	0	0	110.3	Y173 D214 H216	Y173-Q175 HydrophobicContact CE2-CB 4.43Å; Q175-D214 PolarHBondContact N-O 3.19Å; Q175-H216 PolarHBondContact OE1-NE2 3.34Å; Q175-H216 VanDerWaalsContact OE1-NE2 3.12Å
176	R	94.1	Very high	96	Very high	48 Å²	48	57.2 Å²	57.2	18%	0.181	30%	0.296	C	S	.	.			trans	-116.2	122.6	-178.5	-67.5	178.4	-178.6	97.3	0.8	110.4	D144 E174 N181 P182	D144-R176 IonicContact OD1-CZ 3.88Å; D144-R176 IonicContact OD1-NH1 3.15Å; D144-R176 PolarHBondContact OD1-NH1 2.8Å; D144-R176 IonicContact OD1-NH2 2.74Å; D144-R176 PolarHBondContact OD1-NH2 3.44Å; D144-R176 IonicContact OD2-CZ 3.46Å; D144-R176 IonicContact OD2-NH1 3.38Å; D144-R176 PolarHBondContact OD2-NH1 3.4Å; D144-R176 IonicContact OD2-NH2 2.7Å; D144-R176 PolarHBondContact OD2-NH2 3.29Å; E174-R176 PolarHBondContact O-N 3.02Å; E174-R176 IonicContact OE2-CZ 3.64Å; E174-R176 IonicContact OE2-NE 2.7Å; E174-R176 IonicContact OE2-NH2 3.44Å; E174-R176 PolarHBondContact OE2-NH2 2.96Å; R176-N181 HydrophobicContact CB-CB 3.61Å; R176-N181 WeakPolarHBondContact O-CB 3.28Å; R176-P182 WeakPolarHBondContact O-CD 3.39Å
177	T	92.5	Very high	96	Very high	116 Å²	116	53.7 Å²	53.7	71%	0.712	28%	0.279	S	S	*	.			trans	-93.5	-6.8	-176.2	55.9	0	0	0	0	113.9
178	M	91.3	Very high	96	Very high	153 Å²	153	53.5 Å²	53.5	75%	0.754	28%	0.278	S	S	*	.	S	Bend	trans	-93.3	147.8	-176.8	-62.3	-169.5	74.5	0	0	112.8	N181	M178-N181 WeakPolarHBondContact O-CB 3.38Å; M178-N181 PolarHBondContact O-N 2.96Å; M178-N181 PolarHBondContact O-ND2 2.61Å
179	G	92.8	Very high	96	Very high	68 Å²	68	54.5 Å²	54.5	70%	0.701	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	-136	172.7	0	0	0	0	0	112.3
180	K	92.8	Very high	96	Very high	145 Å²	145	59 Å²	59	63%	0.63	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	1.4	179.3	-65.9	-173.9	174.6	-172.7	0	114.1	E183 I184	K180-E183 VanDerWaalsContact CA-OE2 3.23Å; K180-E183 WeakPolarHBondContact CA-OE2 3.2Å; K180-E183 PolarHBondContact O-N 3.33Å; K180-I184 HydrophobicContact CB-CD1 4.1Å; K180-I184 HydrophobicContact CB-CG1 4.5Å; K180-I184 VanDerWaalsContact O-CG1 3.27Å; K180-I184 WeakPolarHBondContact O-CG1 3.41Å; K180-I184 PolarHBondContact O-N 3.32Å
181	N	92.6	Very high	95.9	Very high	40 Å²	40	61.2 Å²	61.2	21%	0.214	31%	0.314	C	S	.	.	H	α-helix	trans	-60.8	-41.7	-172.9	-71	-67.8	0	0	0	113.1	R176 M178 E183 I184 E185	R176-N181 HydrophobicContact CB-CB 3.61Å; R176-N181 WeakPolarHBondContact O-CB 3.28Å; M178-N181 WeakPolarHBondContact O-CB 3.38Å; M178-N181 PolarHBondContact O-N 2.96Å; M178-N181 PolarHBondContact O-ND2 2.61Å; N181-E183 VanDerWaalsContact C-N 3.3Å; N181-E183 PolarHBondContact O-N 3.43Å; N181-I184 PolarHBondContact O-N 3.12Å; N181-E185 WeakPolarHBondContact O-CB 3.17Å; N181-E185 PolarHBondContact O-N 3.15Å
182	P	94.4	Very high	95.9	Very high	51 Å²	51	61.2 Å²	61.2	33%	0.331	31%	0.313	S	S	.	.	H	α-helix	trans	-60	-38.3	176.7	-26.1	36.7	0	0	0	113.2	R176 K186	R176-P182 WeakPolarHBondContact O-CD 3.39Å; P182-K186 VanDerWaalsContact O-CB 3.29Å; P182-K186 WeakPolarHBondContact O-CB 3.32Å; P182-K186 PolarHBondContact O-N 2.81Å
183	E	95.8	Very high	95.8	Very high	120 Å²	120	65.9 Å²	65.9	56%	0.561	34%	0.335	S	S	*	.	H	α-helix	trans	-71.3	-38.5	177.7	-63.2	81.7	-178.8	0	0	112.2	K180 N181 K187	K180-E183 VanDerWaalsContact CA-OE2 3.23Å; K180-E183 WeakPolarHBondContact CA-OE2 3.2Å; K180-E183 PolarHBondContact O-N 3.33Å; N181-E183 VanDerWaalsContact C-N 3.3Å; N181-E183 PolarHBondContact O-N 3.43Å; E183-K187 VanDerWaalsContact O-CB 3.26Å; E183-K187 WeakPolarHBondContact O-CB 3.38Å; E183-K187 PolarHBondContact O-N 2.77Å
184	I	95.2	Very high	95.8	Very high	12 Å²	12	70.8 Å²	70.8	6%	0.062	36%	0.361	C	S	.	.	H	α-helix	trans	-64	-48.5	176.4	-69.6	168.3	0	0	0	110.2	I146 E149 L152 K180 N181 K187 Y188	I146-I184 HydrophobicContact CG2-CG2 4.35Å; E149-I184 HydrophobicContact CB-CD1 4.22Å; E149-I184 HydrophobicContact CB-CG1 3.94Å; E149-I184 HydrophobicContact CG-CG1 4.5Å; L152-I184 HydrophobicContact CD1-CG2 4.07Å; L152-I184 WeakPolarHBondContact CD1-O 3.36Å; L152-I184 HydrophobicContact CD2-CG2 3.92Å; L152-I184 HydrophobicContact CG-CG2 4.29Å; K180-I184 HydrophobicContact CB-CD1 4.1Å; K180-I184 HydrophobicContact CB-CG1 4.5Å; K180-I184 VanDerWaalsContact O-CG1 3.27Å; K180-I184 WeakPolarHBondContact O-CG1 3.41Å; K180-I184 PolarHBondContact O-N 3.32Å; N181-I184 PolarHBondContact O-N 3.12Å; I184-K187 PolarHBondContact O-N 2.75Å; I184-Y188 WeakPolarHBondContact O-CB 3.31Å; I184-Y188 PolarHBondContact O-N 2.74Å
185	E	96	Very high	95.8	Very high	28 Å²	28	70.6 Å²	70.6	13%	0.131	36%	0.363	C	S	.	.	H	α-helix	trans	-58.5	-49.7	176.7	-178	-175.1	177.2	0	0	110.8	Y173 N181 K187 Y188 F189	Y173-E185 HydrophobicContact CE2-CG 4Å; Y173-E185 WeakPolarHBondContact CE2-OE1 3.4Å; Y173-E185 PolarHBondContact OH-OE1 2.82Å; N181-E185 WeakPolarHBondContact O-CB 3.17Å; N181-E185 PolarHBondContact O-N 3.15Å; E185-K187 PolarHBondContact O-N 2.8Å; E185-Y188 WeakPolarHBondContact O-CB 3.42Å; E185-Y188 PolarHBondContact O-N 3.28Å; E185-F189 HydrophobicContact CG-CD2 4.06Å; E185-F189 HydrophobicContact CG-CE2 3.76Å; E185-F189 VanDerWaalsContact O-CD2 3.24Å; E185-F189 WeakPolarHBondContact O-CD2 3.35Å; E185-F189 PolarHBondContact O-N 3.01Å
186	K	96.8	Very high	95.9	Very high	134 Å²	134	67.4 Å²	67.4	58%	0.583	35%	0.347	S	S	*	.	H	α-helix	trans	-57.9	-47.9	177.6	-177.2	-178.5	174.5	-170.3	0	111.8	P182 Y188 F189 E190	P182-K186 VanDerWaalsContact O-CB 3.29Å; P182-K186 WeakPolarHBondContact O-CB 3.32Å; P182-K186 PolarHBondContact O-N 2.81Å; K186-Y188 VanDerWaalsContact C-N 3.31Å; K186-Y188 PolarHBondContact O-N 2.93Å; K186-F189 PolarHBondContact O-N 2.9Å; K186-E190 WeakPolarHBondContact CE-OE1 3.26Å; K186-E190 IonicContact NZ-OE1 2.77Å; K186-E190 WeakPolarHBondContact O-CG 3.4Å; K186-E190 PolarHBondContact O-N 2.77Å
187	K	97.3	Very high	96.1	Very high	52 Å²	52	69.7 Å²	69.7	23%	0.226	36%	0.363	C	S	.	.	H	α-helix	trans	-63	-37.8	179.3	-174.3	179.3	175.2	-158.3	0	111.6	E149 L152 E153 E183 I184 E185 E190 L191	E149-K187 HydrophobicContact CG-CD 4.31Å; E149-K187 IonicContact OE1-NZ 2.86Å; E149-K187 PolarHBondContact OE1-NZ 3.39Å; E149-K187 VanDerWaalsContact OE1-NZ 3.15Å; L152-K187 HydrophobicContact CD1-CB 3.96Å; L152-K187 HydrophobicContact CD1-CD 3.97Å; L152-K187 HydrophobicContact CD1-CG 3.97Å; E153-K187 VanDerWaalsContact OE1-CE 3.29Å; E153-K187 WeakPolarHBondContact OE1-CE 3.44Å; E153-K187 IonicContact OE1-NZ 3.39Å; E153-K187 PolarHBondContact OE1-NZ 3.27Å; E153-K187 IonicContact OE2-NZ 2.74Å; E183-K187 VanDerWaalsContact O-CB 3.26Å; E183-K187 WeakPolarHBondContact O-CB 3.38Å; E183-K187 PolarHBondContact O-N 2.77Å; I184-K187 PolarHBondContact O-N 2.75Å; E185-K187 PolarHBondContact O-N 2.8Å; K187-E190 PolarHBondContact O-N 3.27Å; K187-L191 HydrophobicContact CG-CD1 4.13Å; K187-L191 WeakPolarHBondContact O-CG 3.39Å; K187-L191 PolarHBondContact O-N 2.89Å
188	Y	98.1	Very high	96.4	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-57	-52.9	175.2	174.3	-100.9	0	0	0	111.3	I146 L152 L155 L156 I184 E185 K186 E190 L191 L192	I146-Y188 HydrophobicContact CD1-CD1 3.56Å; I146-Y188 HydrophobicContact CD1-CD2 4.45Å; I146-Y188 HydrophobicContact CD1-CE1 3.4Å; I146-Y188 VanDerWaalsContact CD1-CE1 3.4Å; I146-Y188 HydrophobicContact CD1-CE2 4.31Å; I146-Y188 HydrophobicContact CD1-CG 4.08Å; I146-Y188 HydrophobicContact CG1-CD1 4.19Å; I146-Y188 HydrophobicContact CG1-CD2 4.22Å; I146-Y188 HydrophobicContact CG1-CE1 4.14Å; I146-Y188 HydrophobicContact CG1-CE2 4.16Å; I146-Y188 HydrophobicContact CG1-CG 4.22Å; I146-Y188 HydrophobicContact CG2-CD1 4.39Å; I146-Y188 HydrophobicContact CG2-CD2 4.44Å; I146-Y188 HydrophobicContact CG2-CG 4.01Å; L152-Y188 HydrophobicContact CD2-CD2 4.03Å; L152-Y188 HydrophobicContact CD2-CG 4.43Å; L155-Y188 HydrophobicContact CD2-CE2 4.17Å; L156-Y188 HydrophobicContact CD2-CD2 4.31Å; L156-Y188 HydrophobicContact CD2-CE2 3.78Å; L156-Y188 HydrophobicContact CG-CD2 4.43Å; L156-Y188 HydrophobicContact CG-CE2 4.24Å; I184-Y188 WeakPolarHBondContact O-CB 3.31Å; I184-Y188 PolarHBondContact O-N 2.74Å; E185-Y188 WeakPolarHBondContact O-CB 3.42Å; E185-Y188 PolarHBondContact O-N 3.28Å; K186-Y188 VanDerWaalsContact C-N 3.31Å; K186-Y188 PolarHBondContact O-N 2.93Å; Y188-E190 PolarHBondContact O-N 2.94Å; Y188-L191 PolarHBondContact O-N 3.23Å; Y188-L192 HydrophobicContact CE1-CD2 3.86Å; Y188-L192 VanDerWaalsContact O-CB 3.29Å; Y188-L192 WeakPolarHBondContact O-CB 3.26Å; Y188-L192 PolarHBondContact O-N 3.41Å
189	F	98.1	Very high	96.7	Very high	36 Å²	36	66.8 Å²	66.8	16%	0.158	34%	0.339	C	S	.	.	H	α-helix	trans	-68	-34.3	-179.8	-71.1	-68.1	0	0	0	113	Y173 E185 K186 L191 L192 Q193 F198 I218	Y173-F189 HydrophobicContact CE1-CE2 4.29Å; Y173-F189 AromaticContact CE1-CZ 3.8Å; Y173-F189 HydrophobicContact CE1-CZ 3.8Å; Y173-F189 AromaticContact CZ-CE2 3.91Å; Y173-F189 AromaticContact CZ-CZ 3.89Å; Y173-F189 WeakPolarHBondContact OH-CE2 3.09Å; E185-F189 HydrophobicContact CG-CD2 4.06Å; E185-F189 HydrophobicContact CG-CE2 3.76Å; E185-F189 VanDerWaalsContact O-CD2 3.24Å; E185-F189 WeakPolarHBondContact O-CD2 3.35Å; E185-F189 PolarHBondContact O-N 3.01Å; K186-F189 PolarHBondContact O-N 2.9Å; F189-L191 VanDerWaalsContact C-N 3.28Å; F189-L191 PolarHBondContact O-N 3.33Å; F189-L192 HydrophobicContact CD1-CD2 4.05Å; F189-L192 HydrophobicContact CE1-CD2 4.33Å; F189-L192 PolarHBondContact O-N 2.92Å; F189-Q193 WeakPolarHBondContact O-CG 3.34Å; F189-Q193 PolarHBondContact O-N 3.04Å; F189-Q193 VanDerWaalsContact O-N 3.12Å; F189-F198 HydrophobicContact CB-CZ 4.23Å; F189-F198 HydrophobicContact CD1-CD2 4.16Å; F189-F198 HydrophobicContact CD1-CE1 4.34Å; F189-F198 AromaticContact CD1-CE2 3.63Å; F189-F198 HydrophobicContact CD1-CE2 3.63Å; F189-F198 AromaticContact CD1-CZ 3.73Å; F189-F198 HydrophobicContact CD1-CZ 3.73Å; F189-F198 HydrophobicContact CE1-CD2 4.29Å; F189-F198 HydrophobicContact CE1-CE2 4.11Å; F189-F198 HydrophobicContact CG-CE2 4.5Å; F189-F198 HydrophobicContact CG-CZ 4.39Å; F189-I218 HydrophobicContact CE1-CG1 4.29Å; F189-I218 HydrophobicContact CZ-CG1 4.24Å
190	E	98.1	Very high	97	Very high	94 Å²	94	69.3 Å²	69.3	44%	0.439	33%	0.332	S	S	.	.	H	α-helix	trans	-61.4	-35.1	174.2	-79	179.7	172	0	0	112.9	K186 K187 Y188 Q193	K186-E190 WeakPolarHBondContact CE-OE1 3.26Å; K186-E190 IonicContact NZ-OE1 2.77Å; K186-E190 WeakPolarHBondContact O-CG 3.4Å; K186-E190 PolarHBondContact O-N 2.77Å; K187-E190 PolarHBondContact O-N 3.27Å; Y188-E190 PolarHBondContact O-N 2.94Å; E190-Q193 WeakPolarHBondContact O-CG 3.4Å; E190-Q193 PolarHBondContact O-NE2 3.37Å; E190-Q193 VanDerWaalsContact O-NE2 3.15Å
191	L	97.8	Very high	97.2	Very high	47 Å²	47	63 Å²	63	25%	0.246	31%	0.306	C	S	.	.	H	α-helix	trans	-83	-39.4	175.8	-67.2	171.3	0	0	0	111.8	E153 L156 K187 Y188 F189 Q193 L194	E153-L191 HydrophobicContact CG-CD1 4.03Å; L156-L191 HydrophobicContact CD1-CB 3.25Å; L156-L191 HydrophobicContact CD1-CD1 4.02Å; L156-L191 HydrophobicContact CD1-CG 4.28Å; K187-L191 HydrophobicContact CG-CD1 4.13Å; K187-L191 WeakPolarHBondContact O-CG 3.39Å; K187-L191 PolarHBondContact O-N 2.89Å; Y188-L191 PolarHBondContact O-N 3.23Å; F189-L191 VanDerWaalsContact C-N 3.28Å; F189-L191 PolarHBondContact O-N 3.33Å; L191-Q193 VanDerWaalsContact C-N 3.33Å; L191-Q193 PolarHBondContact O-N 3.14Å; L191-L194 HydrophobicContact CD2-CD1 4.26Å; L191-L194 WeakPolarHBondContact O-CB 3.5Å; L191-L194 WeakPolarHBondContact O-CG 3.4Å; L191-L194 PolarHBondContact O-N 3.28Å; L191-L194 VanDerWaalsContact O-N 3.15Å
192	L	98.3	Very high	97.5	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-58.2	-44.1	-179.5	-176.1	68.8	0	0	0	111.6	L156 Y188 F189 L194 D195 F196 F198 I220	L156-L192 HydrophobicContact CD2-CB 4.13Å; L156-L192 HydrophobicContact CD2-CD1 3.53Å; L156-L192 HydrophobicContact CD2-CG 4.46Å; Y188-L192 HydrophobicContact CE1-CD2 3.86Å; Y188-L192 VanDerWaalsContact O-CB 3.29Å; Y188-L192 WeakPolarHBondContact O-CB 3.26Å; Y188-L192 PolarHBondContact O-N 3.41Å; F189-L192 HydrophobicContact CD1-CD2 4.05Å; F189-L192 HydrophobicContact CE1-CD2 4.33Å; F189-L192 PolarHBondContact O-N 2.92Å; L192-L194 PolarHBondContact O-N 3.15Å; L192-D195 PolarHBondContact O-N 3.14Å; L192-F196 HydrophobicContact CD1-CB 3.98Å; L192-F196 HydrophobicContact CD1-CD2 3.68Å; L192-F196 HydrophobicContact CD1-CE2 4.41Å; L192-F196 HydrophobicContact CD1-CG 3.94Å; L192-F196 HydrophobicContact CG-CB 4.2Å; L192-F196 WeakPolarHBondContact O-CB 3.33Å; L192-F196 PolarHBondContact O-N 3.28Å; L192-F198 HydrophobicContact CB-CE1 4.4Å; L192-F198 HydrophobicContact CD2-CB 4.21Å; L192-F198 HydrophobicContact CD2-CD1 3.57Å; L192-F198 HydrophobicContact CD2-CE1 4.02Å; L192-F198 HydrophobicContact CD2-CG 3.9Å; L192-F198 HydrophobicContact CG-CD1 3.91Å; L192-F198 HydrophobicContact CG-CE1 4.25Å; L192-I220 HydrophobicContact CD1-CD1 4.26Å; L192-I220 HydrophobicContact CD1-CG2 3.96Å; L192-I220 HydrophobicContact CD2-CD1 3.77Å; L192-I220 HydrophobicContact CD2-CG1 4.11Å; L192-I220 HydrophobicContact CD2-CG2 4.44Å
193	Q	97.8	Very high	97.7	Very high	98 Å²	98	63.9 Å²	63.9	46%	0.458	31%	0.31	S	S	.	.	H	α-helix	trans	-61.3	-14.6	-179.9	64	179.5	-13.6	0	0	114.2	F189 E190 L191 F198 K223	F189-Q193 WeakPolarHBondContact O-CG 3.34Å; F189-Q193 PolarHBondContact O-N 3.04Å; F189-Q193 VanDerWaalsContact O-N 3.12Å; E190-Q193 WeakPolarHBondContact O-CG 3.4Å; E190-Q193 PolarHBondContact O-NE2 3.37Å; E190-Q193 VanDerWaalsContact O-NE2 3.15Å; L191-Q193 VanDerWaalsContact C-N 3.33Å; L191-Q193 PolarHBondContact O-N 3.14Å; Q193-F198 HydrophobicContact CB-CE1 3.9Å; Q193-K223 PolarHBondContact O-NZ 2.82Å
194	L	97.2	Very high	97.8	Very high	115 Å²	115	65.2 Å²	65.2	60%	0.602	32%	0.316	S	S	*	.	H	α-helix	trans	-68.3	-39.1	-179.5	-61.5	176.9	0	0	0	111.5	L191 L192	L191-L194 HydrophobicContact CD2-CD1 4.26Å; L191-L194 WeakPolarHBondContact O-CB 3.5Å; L191-L194 WeakPolarHBondContact O-CG 3.4Å; L191-L194 PolarHBondContact O-N 3.28Å; L191-L194 VanDerWaalsContact O-N 3.15Å; L192-L194 PolarHBondContact O-N 3.15Å
195	D	97.8	Very high	98	Very high	55 Å²	55	68.4 Å²	68.4	29%	0.294	33%	0.33	S	S	.	.	H	α-helix	trans	-122.5	-10.9	-172.4	-63.5	-82.8	0	0	0	113.6	K160 L192 K223	K160-D195 HydrophobicContact CD-CB 3.98Å; K160-D195 WeakPolarHBondContact CD-OD2 3.32Å; K160-D195 VanDerWaalsContact CE-OD1 3.23Å; K160-D195 WeakPolarHBondContact CE-OD1 3.24Å; K160-D195 VanDerWaalsContact CE-OD2 3.26Å; K160-D195 WeakPolarHBondContact CE-OD2 3.48Å; K160-D195 HydrophobicContact CG-CB 4.17Å; K160-D195 IonicContact NZ-OD1 3.66Å; K160-D195 PolarHBondContact NZ-OD1 3.3Å; K160-D195 IonicContact NZ-OD2 2.7Å; K160-D195 PolarHBondContact NZ-OD2 2.95Å; L192-D195 PolarHBondContact O-N 3.14Å; D195-K223 WeakPolarHBondContact O-CB 3.23Å; D195-K223 PolarHBondContact O-N 3.31Å
196	F	98.5	Very high	98.1	Very high	3 Å²	3	67.4 Å²	67.4	1%	0.013	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	147.3	-177.7	-57.7	-93.5	0	0	0	111.6	L159 K160 I169 L192 I220 R221 K222 K223	L159-F196 HydrophobicContact CB-CE2 4.44Å; L159-F196 HydrophobicContact CB-CZ 3.9Å; K160-F196 HydrophobicContact CB-CZ 4.45Å; K160-F196 HydrophobicContact CD-CE2 4.44Å; K160-F196 HydrophobicContact CG-CE2 3.54Å; K160-F196 HydrophobicContact CG-CZ 3.69Å; I169-F196 HydrophobicContact CD1-CD1 4.07Å; I169-F196 HydrophobicContact CD1-CE1 3.69Å; L192-F196 HydrophobicContact CD1-CB 3.98Å; L192-F196 HydrophobicContact CD1-CD2 3.68Å; L192-F196 HydrophobicContact CD1-CE2 4.41Å; L192-F196 HydrophobicContact CD1-CG 3.94Å; L192-F196 HydrophobicContact CG-CB 4.2Å; L192-F196 WeakPolarHBondContact O-CB 3.33Å; L192-F196 PolarHBondContact O-N 3.28Å; F196-I220 HydrophobicContact CB-CG2 3.65Å; F196-I220 HydrophobicContact CD1-CG2 3.69Å; F196-I220 HydrophobicContact CG-CG2 3.82Å; F196-R221 CarbonylContact C-O 3.56Å; F196-R221 VanDerWaalsContact CA-O 3.26Å; F196-R221 WeakPolarHBondContact CA-O 3.25Å; F196-R221 WeakPolarHBondContact CB-O 3.46Å; F196-K222 VanDerWaalsContact CD1-CA 3.49Å; F196-K222 HydrophobicContact CD1-CB 4.01Å; F196-K222 HydrophobicContact CD1-CG 4.34Å; F196-K222 HydrophobicContact CE1-CB 3.86Å; F196-K222 HydrophobicContact CE1-CG 3.95Å; F196-K223 VanDerWaalsContact O-CE 3.26Å; F196-K223 WeakPolarHBondContact O-CE 3.3Å; F196-K223 PolarHBondContact O-NZ 3.44Å
197	D	98.4	Very high	98.2	Very high	96 Å²	96	62.6 Å²	62.6	51%	0.513	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	144.7	158.8	-65.7	-49.7	0	0	0	107.6	I220 R221 K223	D197-I220 WeakPolarHBondContact O-CA 3.48Å; D197-R221 PolarHBondContact N-O 2.83Å; D197-R221 PolarHBondContact O-N 3.23Å; D197-K223 VanDerWaalsContact CG-CE 3.49Å; D197-K223 WeakPolarHBondContact OD1-CE 3.49Å; D197-K223 IonicContact OD1-NZ 2.69Å
198	F	98.6	Very high	98.2	Very high	80 Å²	80	68.2 Å²	68.2	35%	0.351	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	151.8	177.9	61.4	-92.5	0	0	0	112.1	F189 L192 Q193 I218 Y219 I220	F189-F198 HydrophobicContact CB-CZ 4.23Å; F189-F198 HydrophobicContact CD1-CD2 4.16Å; F189-F198 HydrophobicContact CD1-CE1 4.34Å; F189-F198 AromaticContact CD1-CE2 3.63Å; F189-F198 HydrophobicContact CD1-CE2 3.63Å; F189-F198 AromaticContact CD1-CZ 3.73Å; F189-F198 HydrophobicContact CD1-CZ 3.73Å; F189-F198 HydrophobicContact CE1-CD2 4.29Å; F189-F198 HydrophobicContact CE1-CE2 4.11Å; F189-F198 HydrophobicContact CG-CE2 4.5Å; F189-F198 HydrophobicContact CG-CZ 4.39Å; L192-F198 HydrophobicContact CB-CE1 4.4Å; L192-F198 HydrophobicContact CD2-CB 4.21Å; L192-F198 HydrophobicContact CD2-CD1 3.57Å; L192-F198 HydrophobicContact CD2-CE1 4.02Å; L192-F198 HydrophobicContact CD2-CG 3.9Å; L192-F198 HydrophobicContact CG-CD1 3.91Å; L192-F198 HydrophobicContact CG-CE1 4.25Å; Q193-F198 HydrophobicContact CB-CE1 3.9Å; F198-I218 HydrophobicContact CB-CG2 3.8Å; F198-I218 HydrophobicContact CD2-CG2 4.1Å; F198-I218 HydrophobicContact CG-CG2 4.33Å; F198-Y219 CarbonylContact C-O 3.58Å; F198-Y219 WeakPolarHBondContact CA-O 3.41Å; F198-Y219 WeakPolarHBondContact CB-O 3.38Å; F198-I220 HydrophobicContact CB-CB 4.42Å; F198-I220 HydrophobicContact CB-CG1 3.9Å
199	E	98.4	Very high	98.2	Very high	129 Å²	129	75.2 Å²	75.2	60%	0.603	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.8	141.5	177.5	65.2	-172.5	149.4	0	0	110.1	I218 Y219	E199-I218 CarbonylContact O-C 3.57Å; E199-I218 WeakPolarHBondContact O-CA 2.98Å; E199-Y219 PolarHBondContact N-O 3Å; E199-Y219 PolarHBondContact O-N 3.29Å
200	E	98.6	Very high	98.2	Very high	120 Å²	120	76.9 Å²	76.9	56%	0.561	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.4	173.8	-174.9	178.1	172.6	0	0	109.8	H216 I218	E200-H216 IonicContact OE1-ND1 2.94Å; E200-H216 PolarHBondContact OE1-ND1 3.12Å; E200-I218 HydrophobicContact CB-CD1 3.79Å; E200-I218 HydrophobicContact CG-CD1 3.85Å
201	I	98.6	Very high	98.2	Very high	14 Å²	14	77.1 Å²	77.1	7%	0.072	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-79.8	127.5	173.6	-62.7	-57.6	0	0	0	108.2	Y52 K205 H206 I217 Y219	Y52-I201 HydrophobicContact CE2-CG2 4.17Å; I201-K205 HydrophobicContact CG2-CB 3.68Å; I201-K205 HydrophobicContact CG2-CD 4.17Å; I201-K205 HydrophobicContact CG2-CG 4.41Å; I201-H206 PolarHBondContact O-NE2 2.75Å; I201-I217 HydrophobicContact CB-CB 4.17Å; I201-I217 HydrophobicContact CB-CG2 4.21Å; I201-I217 WeakPolarHBondContact CB-O 3.45Å; I201-I217 HydrophobicContact CG1-CB 4.47Å; I201-I217 HydrophobicContact CG1-CG2 3.98Å; I201-I217 PolarHBondContact N-O 3.19Å; I201-Y219 HydrophobicContact CD1-CD1 3.71Å; I201-Y219 HydrophobicContact CD1-CD2 4.1Å; I201-Y219 HydrophobicContact CD1-CE1 3.93Å; I201-Y219 HydrophobicContact CD1-CE2 4.33Å; I201-Y219 HydrophobicContact CD1-CG 3.79Å; I201-Y219 HydrophobicContact CG1-CD1 3.56Å; I201-Y219 HydrophobicContact CG1-CE1 3.82Å; I201-Y219 HydrophobicContact CG1-CG 4.13Å
202	P	98.5	Very high	98.3	Very high	61 Å²	61	77 Å²	77	40%	0.396	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-58.1	143.1	178	-24.8	33.2	0	0	0	112.4	E204 K205	P202-E204 VanDerWaalsContact CB-OE2 3.28Å; P202-E204 WeakPolarHBondContact CB-OE2 3.47Å; P202-E204 PolarHBondContact O-N 3.35Å; P202-K205 HydrophobicContact CB-CG 4.49Å; P202-K205 WeakPolarHBondContact O-CB 3.42Å; P202-K205 PolarHBondContact O-N 3.15Å
203	L	98.5	Very high	98.3	Very high	48 Å²	48	84.4 Å²	84.4	25%	0.251	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-56.3	-26.9	-179.8	-176.8	62.4	0	0	0	113.2	K205 H206 R211 S212 E213	L203-K205 PolarHBondContact O-N 3.21Å; L203-H206 WeakPolarHBondContact O-CB 3.26Å; L203-H206 PolarHBondContact O-N 2.79Å; L203-R211 HydrophobicContact CD1-CB 3.83Å; L203-R211 HydrophobicContact CD1-CG 4.08Å; L203-R211 WeakPolarHBondContact O-CD 3.49Å; L203-R211 PolarHBondContact O-NH1 2.7Å; L203-S212 WeakPolarHBondContact CD1-O 3.08Å; L203-E213 HydrophobicContact CD2-CG 3.83Å
204	E	98.3	Very high	98.3	Very high	147 Å²	147	84 Å²	84	69%	0.687	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-69.1	-18.9	176.4	-59	74.8	-160.6	0	0	113.2	P202	P202-E204 VanDerWaalsContact CB-OE2 3.28Å; P202-E204 WeakPolarHBondContact CB-OE2 3.47Å; P202-E204 PolarHBondContact O-N 3.35Å
205	K	98.3	Very high	98.3	Very high	79 Å²	79	79 Å²	79	34%	0.343	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-91	-8.5	174.9	-58.6	-164.2	176.9	-159.7	0	113.1	Y52 E57 I201 P202 L203	Y52-K205 WeakPolarHBondContact CD2-O 3.47Å; Y52-K205 WeakPolarHBondContact CE2-O 3.29Å; E57-K205 WeakPolarHBondContact OE1-CD 3.43Å; E57-K205 WeakPolarHBondContact OE1-CE 3.2Å; E57-K205 IonicContact OE1-NZ 2.77Å; E57-K205 PolarHBondContact OE1-NZ 3.48Å; I201-K205 HydrophobicContact CG2-CB 3.68Å; I201-K205 HydrophobicContact CG2-CD 4.17Å; I201-K205 HydrophobicContact CG2-CG 4.41Å; P202-K205 HydrophobicContact CB-CG 4.49Å; P202-K205 WeakPolarHBondContact O-CB 3.42Å; P202-K205 PolarHBondContact O-N 3.15Å; L203-K205 PolarHBondContact O-N 3.21Å
206	H	98.6	Very high	98.4	Very high	8 Å²	8	77.6 Å²	77.6	4%	0.037	37%	0.372	C	S	.	.	S	Bend	trans	-71.6	167.3	169.9	-60.2	-172.7	0	0	0	109.3	I201 L203 E208 R211 I215	I201-H206 PolarHBondContact O-NE2 2.75Å; L203-H206 WeakPolarHBondContact O-CB 3.26Å; L203-H206 PolarHBondContact O-N 2.79Å; H206-E208 PolarHBondContact O-N 2.94Å; H206-R211 HydrophobicContact CB-CB 3.62Å; H206-I215 PolarHBondContact CE1-O 2.77Å
207	D	98.6	Very high	98.4	Very high	33 Å²	33	77.4 Å²	77.4	18%	0.176	37%	0.372	C	S	.	.			trans	-58.8	138.5	170.6	-176.9	-70.1	0	0	0	110.2	K51 T55 E209 Y210 R211	K51-D207 HydrophobicContact CB-CB 3.86Å; T55-D207 HydrophobicContact CG2-CB 4.33Å; D207-E209 VanDerWaalsContact C-N 3.26Å; D207-E209 PolarHBondContact O-N 3.05Å; D207-E209 PolarHBondContact OD1-N 3.46Å; D207-Y210 WeakPolarHBondContact OD1-CD2 3.43Å; D207-Y210 PolarHBondContact OD1-N 3.2Å; D207-R211 WeakPolarHBondContact O-CB 3.29Å; D207-R211 WeakPolarHBondContact O-CD 3.09Å; D207-R211 WeakPolarHBondContact O-CG 3.49Å
208	E	97.6	Very high	98.4	Very high	169 Å²	169	73.2 Å²	73.2	79%	0.79	35%	0.349	S	S	*	.	S	Bend	trans	-61.4	-33.6	-172.4	-66.4	-176.1	-178.2	0	0	113.4	H206 R211	H206-E208 PolarHBondContact O-N 2.94Å; E208-R211 PolarHBondContact O-NE 2.96Å; E208-R211 VanDerWaalsContact O-NE 3.14Å
209	E	97.8	Very high	98.4	Very high	148 Å²	148	71.8 Å²	71.8	69%	0.692	34%	0.342	S	S	*	.	S	Bend	trans	-96.2	-42.9	179.8	-176.4	177.1	172.8	0	0	111.3	D207 R211	D207-E209 VanDerWaalsContact C-N 3.26Å; D207-E209 PolarHBondContact O-N 3.05Å; D207-E209 PolarHBondContact OD1-N 3.46Å; E209-R211 PolarHBondContact O-N 3.25Å
210	Y	98.3	Very high	98.5	Very high	70 Å²	70	65.8 Å²	65.8	28%	0.275	31%	0.314	S	S	.	.	S	Bend	trans	-95.6	67.8	-174.6	-58.9	-80.9	0	0	0	111.8	I47 K51 D207	I47-Y210 HydrophobicContact CG2-CD1 3.79Å; I47-Y210 HydrophobicContact CG2-CE1 4.45Å; I47-Y210 HydrophobicContact CG2-CG 4.42Å; K51-Y210 HydrophobicContact CB-CD2 4.13Å; K51-Y210 HydrophobicContact CB-CG 4.15Å; K51-Y210 HydrophobicContact CD-CD2 4.06Å; K51-Y210 HydrophobicContact CD-CE2 4.29Å; K51-Y210 HydrophobicContact CD-CG 4.45Å; K51-Y210 HydrophobicContact CG-CD1 4.3Å; K51-Y210 HydrophobicContact CG-CD2 3.66Å; K51-Y210 HydrophobicContact CG-CE2 4.33Å; K51-Y210 HydrophobicContact CG-CG 3.63Å; D207-Y210 WeakPolarHBondContact OD1-CD2 3.43Å; D207-Y210 PolarHBondContact OD1-N 3.2Å
211	R	98.4	Very high	98.4	Very high	99 Å²	99	66 Å²	66	37%	0.374	31%	0.309	S	S	.	.			trans	-149.6	162.2	177.2	64.5	-180	171.8	174.9	0.1	112	L203 H206 D207 E208 E209	L203-R211 HydrophobicContact CD1-CB 3.83Å; L203-R211 HydrophobicContact CD1-CG 4.08Å; L203-R211 WeakPolarHBondContact O-CD 3.49Å; L203-R211 PolarHBondContact O-NH1 2.7Å; H206-R211 HydrophobicContact CB-CB 3.62Å; D207-R211 WeakPolarHBondContact O-CB 3.29Å; D207-R211 WeakPolarHBondContact O-CD 3.09Å; D207-R211 WeakPolarHBondContact O-CG 3.49Å; E208-R211 PolarHBondContact O-NE 2.96Å; E208-R211 VanDerWaalsContact O-NE 3.14Å; E209-R211 PolarHBondContact O-N 3.25Å
212	S	98.6	Very high	98.4	Very high	44 Å²	44	67.6 Å²	67.6	31%	0.308	32%	0.316	S	S	.	.			trans	-146.9	149.7	174.3	-178.9	0	0	0	0	109.6	L203 D214 I215	L203-S212 WeakPolarHBondContact CD1-O 3.08Å; S212-D214 PolarHBondContact O-N 3.38Å; S212-D214 PolarHBondContact OG-N 3.2Å; S212-I215 PolarHBondContact O-N 3.4Å
213	E	98.1	Very high	98.4	Very high	157 Å²	157	68.5 Å²	68.5	73%	0.734	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.9	170.4	-66.9	178.7	-177.7	0	0	112	L203 H216	L203-E213 HydrophobicContact CD2-CG 3.83Å; E213-H216 PolarHBondContact O-CE1 3.23Å
214	D	98.2	Very high	97.9	Very high	89 Å²	89	72.4 Å²	72.4	48%	0.476	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	0.1	177.8	-60.5	-48	0	0	0	112.8	E174 Q175 S212	E174-D214 CarbonylContact C-O 3.48Å; E174-D214 WeakPolarHBondContact CA-O 3.42Å; Q175-D214 PolarHBondContact N-O 3.19Å; S212-D214 PolarHBondContact O-N 3.38Å; S212-D214 PolarHBondContact OG-N 3.2Å
215	I	98.7	Very high	97	Very high	10 Å²	10	68.6 Å²	68.6	5%	0.051	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	113.2	179.4	-60.4	173.4	0	0	0	109.8	D44 A45 V48 C172 Y173 E174 H206 S212	D44-I215 HydrophobicContact CB-CD1 3.76Å; A45-I215 HydrophobicContact CB-CG2 4.21Å; V48-I215 HydrophobicContact CB-CG2 3.86Å; V48-I215 HydrophobicContact CG1-CG2 3.84Å; V48-I215 HydrophobicContact CG2-CB 4.29Å; V48-I215 HydrophobicContact CG2-CD1 3.77Å; V48-I215 HydrophobicContact CG2-CG2 3.88Å; C172-I215 VanDerWaalsContact SG-CG2 3.56Å; Y173-I215 WeakPolarHBondContact O-CA 3.38Å; E174-I215 HydrophobicContact CB-CG1 4.08Å; E174-I215 HydrophobicContact CG-CG1 4.09Å; H206-I215 PolarHBondContact CE1-O 2.77Å; S212-I215 PolarHBondContact O-N 3.4Å
216	H	98.7	Very high	95.6	Very high	25 Å²	25	74.2 Å²	74.2	12%	0.116	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	142.3	-170.6	-54.7	-55.1	0	0	0	110.8	C172 Y173 Q175 E200 E213 I218	C172-H216 VanDerWaalsContact CA-O 3.24Å; C172-H216 WeakPolarHBondContact CA-O 3.22Å; Y173-H216 HydrophobicContact CD1-CB 4.29Å; Y173-H216 HydrophobicContact CE1-CB 3.76Å; Y173-H216 AromaticContact CZ-CD2 3.75Å; Y173-H216 PolarHBondContact N-O 3.43Å; Y173-H216 VanDerWaalsContact N-O 3.08Å; Y173-H216 PolarHBondContact O-N 3.32Å; Q175-H216 PolarHBondContact OE1-NE2 3.34Å; Q175-H216 VanDerWaalsContact OE1-NE2 3.12Å; E200-H216 IonicContact OE1-ND1 2.94Å; E200-H216 PolarHBondContact OE1-ND1 3.12Å; E213-H216 PolarHBondContact O-CE1 3.23Å; H216-I218 HydrophobicContact CB-CD1 4.34Å
217	I	98.9	Very high	94	Very high	0 Å²	0	82.3 Å²	82.3	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.9	169.5	-62.2	178.9	0	0	0	108.4	V48 Y52 I170 C171 C172 I201 Y219	V48-I217 HydrophobicContact CG1-CD1 4.19Å; V48-I217 HydrophobicContact CG1-CG1 4.49Å; Y52-I217 HydrophobicContact CD1-CD1 3.91Å; Y52-I217 HydrophobicContact CD2-CD1 3.78Å; Y52-I217 HydrophobicContact CE1-CG2 4.41Å; Y52-I217 HydrophobicContact CE2-CD1 4.46Å; Y52-I217 HydrophobicContact CG-CD1 3.45Å; Y52-I217 VanDerWaalsContact CG-CD1 3.45Å; I170-I217 HydrophobicContact CG2-CG2 3.7Å; C171-I217 CarbonylContact O-C 3.29Å; C171-I217 WeakPolarHBondContact O-CA 3Å; C172-I217 HydrophobicContact CB-CG1 4.21Å; I201-I217 HydrophobicContact CB-CB 4.17Å; I201-I217 HydrophobicContact CB-CG2 4.21Å; I201-I217 WeakPolarHBondContact CB-O 3.45Å; I201-I217 HydrophobicContact CG1-CB 4.47Å; I201-I217 HydrophobicContact CG1-CG2 3.98Å; I201-I217 PolarHBondContact N-O 3.19Å; I217-Y219 HydrophobicContact CG2-CD1 4.49Å; I217-Y219 HydrophobicContact CG2-CE1 4.49Å
218	I	98.9	Very high	91.8	Very high	7 Å²	7	85.3 Å²	85.3	4%	0.036	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.9	-179.3	-47.7	-58.2	0	0	0	109.2	C171 Y173 F189 F198 E199 E200 H216 I220	C171-I218 HydrophobicContact CB-CB 4.39Å; C171-I218 PolarHBondContact N-O 3.26Å; C171-I218 PolarHBondContact O-N 3.03Å; Y173-I218 HydrophobicContact CE1-CD1 4.44Å; Y173-I218 HydrophobicContact CE1-CG1 3.99Å; F189-I218 HydrophobicContact CE1-CG1 4.29Å; F189-I218 HydrophobicContact CZ-CG1 4.24Å; F198-I218 HydrophobicContact CB-CG2 3.8Å; F198-I218 HydrophobicContact CD2-CG2 4.1Å; F198-I218 HydrophobicContact CG-CG2 4.33Å; E199-I218 CarbonylContact O-C 3.57Å; E199-I218 WeakPolarHBondContact O-CA 2.98Å; E200-I218 HydrophobicContact CB-CD1 3.79Å; E200-I218 HydrophobicContact CG-CD1 3.85Å; H216-I218 HydrophobicContact CB-CD1 4.34Å; I218-I220 HydrophobicContact CB-CG1 4.4Å; I218-I220 HydrophobicContact CG2-CD1 4.37Å; I218-I220 HydrophobicContact CG2-CG1 3.77Å
219	Y	98.8	Very high	89	Confident	50 Å²	50	86.2 Å²	86.2	20%	0.196	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.5	166.1	-89.7	31.5	0	0	0	109	Y52 F58 I170 F198 E199 I201 I217	Y52-Y219 HydrophobicContact CE1-CE1 4.07Å; Y52-Y219 WeakPolarHBondContact OH-CE1 3.32Å; Y52-Y219 VanDerWaalsContact OH-CZ 3.31Å; Y52-Y219 PolarHBondContact OH-OH 3.37Å; F58-Y219 VanDerWaalsContact CD2-OH 3.26Å; F58-Y219 WeakPolarHBondContact CD2-OH 3.45Å; F58-Y219 VanDerWaalsContact CE2-OH 3.31Å; F58-Y219 WeakPolarHBondContact CE2-OH 3.13Å; I170-Y219 HydrophobicContact CD1-CE1 3.98Å; I170-Y219 HydrophobicContact CG1-CD1 4.12Å; I170-Y219 HydrophobicContact CG1-CE1 3.83Å; I170-Y219 HydrophobicContact CG2-CD1 4.21Å; I170-Y219 HydrophobicContact CG2-CE1 4.03Å; F198-Y219 CarbonylContact C-O 3.58Å; F198-Y219 WeakPolarHBondContact CA-O 3.41Å; F198-Y219 WeakPolarHBondContact CB-O 3.38Å; E199-Y219 PolarHBondContact N-O 3Å; E199-Y219 PolarHBondContact O-N 3.29Å; I201-Y219 HydrophobicContact CD1-CD1 3.71Å; I201-Y219 HydrophobicContact CD1-CD2 4.1Å; I201-Y219 HydrophobicContact CD1-CE1 3.93Å; I201-Y219 HydrophobicContact CD1-CE2 4.33Å; I201-Y219 HydrophobicContact CD1-CG 3.79Å; I201-Y219 HydrophobicContact CG1-CD1 3.56Å; I201-Y219 HydrophobicContact CG1-CE1 3.82Å; I201-Y219 HydrophobicContact CG1-CG 4.13Å; I217-Y219 HydrophobicContact CG2-CD1 4.49Å; I217-Y219 HydrophobicContact CG2-CE1 4.49Å
220	I	98.8	Very high	88.6	Confident	4 Å²	4	83.1 Å²	83.1	2%	0.021	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.4	-176	-55.7	169.9	0	0	0	108.2	M142 I169 C171 L192 F196 D197 F198 I218	M142-I220 HydrophobicContact CE-CD1 4.35Å; I169-I220 HydrophobicContact CB-CB 3.83Å; I169-I220 HydrophobicContact CB-CG2 4.31Å; I169-I220 WeakPolarHBondContact CB-O 3.47Å; I169-I220 HydrophobicContact CD1-CG2 4.14Å; I169-I220 HydrophobicContact CG2-CB 4.01Å; I169-I220 HydrophobicContact CG2-CD1 4.24Å; I169-I220 HydrophobicContact CG2-CG2 4.46Å; I169-I220 PolarHBondContact N-O 3.29Å; I169-I220 PolarHBondContact O-N 3.4Å; C171-I220 HydrophobicContact CB-CD1 3.7Å; L192-I220 HydrophobicContact CD1-CD1 4.26Å; L192-I220 HydrophobicContact CD1-CG2 3.96Å; L192-I220 HydrophobicContact CD2-CD1 3.77Å; L192-I220 HydrophobicContact CD2-CG1 4.11Å; L192-I220 HydrophobicContact CD2-CG2 4.44Å; F196-I220 HydrophobicContact CB-CG2 3.65Å; F196-I220 HydrophobicContact CD1-CG2 3.69Å; F196-I220 HydrophobicContact CG-CG2 3.82Å; D197-I220 WeakPolarHBondContact O-CA 3.48Å; F198-I220 HydrophobicContact CB-CB 4.42Å; F198-I220 HydrophobicContact CB-CG1 3.9Å; I218-I220 HydrophobicContact CB-CG1 4.4Å; I218-I220 HydrophobicContact CG2-CD1 4.37Å; I218-I220 HydrophobicContact CG2-CG1 3.77Å
221	R	98.4	Very high	88.1	Confident	124 Å²	124	83.8 Å²	83.8	47%	0.468	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	136.9	176.9	-169.9	170.6	-63.8	-146.1	0.7	111.4	F196 D197 K223	F196-R221 CarbonylContact C-O 3.56Å; F196-R221 VanDerWaalsContact CA-O 3.26Å; F196-R221 WeakPolarHBondContact CA-O 3.25Å; F196-R221 WeakPolarHBondContact CB-O 3.46Å; D197-R221 PolarHBondContact N-O 2.83Å; D197-R221 PolarHBondContact O-N 3.23Å; R221-K223 PolarHBondContact O-N 2.88Å
222	K	98.2	Very high	87.5	Confident	48 Å²	48	82.9 Å²	82.9	21%	0.209	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	131	179.7	-162.2	-177.8	-160.2	172.4	0	111	K160 S163 F165 F196 K224	K160-K222 WeakPolarHBondContact O-CE 3.27Å; K160-K222 PolarHBondContact O-NZ 3.35Å; S163-K222 WeakPolarHBondContact O-CD 3.48Å; S163-K222 PolarHBondContact O-NZ 2.94Å; F165-K222 HydrophobicContact CD1-CB 4.39Å; F165-K222 HydrophobicContact CD1-CD 4.18Å; F165-K222 HydrophobicContact CD1-CG 4.32Å; F165-K222 HydrophobicContact CE1-CD 4.25Å; F196-K222 VanDerWaalsContact CD1-CA 3.49Å; F196-K222 HydrophobicContact CD1-CB 4.01Å; F196-K222 HydrophobicContact CD1-CG 4.34Å; F196-K222 HydrophobicContact CE1-CB 3.86Å; F196-K222 HydrophobicContact CE1-CG 3.95Å; K222-K224 PolarHBondContact O-N 3.39Å
223	K	96.9	Very high	86.9	Confident	79 Å²	79	85.2 Å²	85.2	34%	0.343	43%	0.425	S	S	.	.			trans	-65.2	133	176.8	-75.5	174	170.7	171.5	0	110.8	F165 Q193 D195 F196 D197 R221 S225	F165-K223 VanDerWaalsContact CE1-O 3.31Å; F165-K223 WeakPolarHBondContact CE1-O 3.39Å; Q193-K223 PolarHBondContact O-NZ 2.82Å; D195-K223 WeakPolarHBondContact O-CB 3.23Å; D195-K223 PolarHBondContact O-N 3.31Å; F196-K223 VanDerWaalsContact O-CE 3.26Å; F196-K223 WeakPolarHBondContact O-CE 3.3Å; F196-K223 PolarHBondContact O-NZ 3.44Å; D197-K223 VanDerWaalsContact CG-CE 3.49Å; D197-K223 WeakPolarHBondContact OD1-CE 3.49Å; D197-K223 IonicContact OD1-NZ 2.69Å; R221-K223 PolarHBondContact O-N 2.88Å; K223-S225 PolarHBondContact O-N 3.21Å
224	K	89.9	Confident	86.2	Confident	131 Å²	131	80.8 Å²	80.8	57%	0.57	41%	0.405	S	S	*	.			trans	-81.9	106.5	167.1	-72.2	-179.6	-177.9	177.1	0	108.7	F165 E166 K222 K226	F165-K224 HydrophobicContact CB-CD 4.21Å; F165-K224 HydrophobicContact CB-CG 3.83Å; F165-K224 HydrophobicContact CD1-CB 4.41Å; F165-K224 HydrophobicContact CD1-CG 3.58Å; F165-K224 HydrophobicContact CD2-CG 4.31Å; F165-K224 HydrophobicContact CE1-CG 4.18Å; F165-K224 HydrophobicContact CG-CD 4.4Å; F165-K224 HydrophobicContact CG-CG 3.66Å; E166-K224 WeakPolarHBondContact OE1-CE 3.43Å; E166-K224 IonicContact OE1-NZ 2.85Å; E166-K224 PolarHBondContact OE1-NZ 3.07Å; K222-K224 PolarHBondContact O-N 3.39Å; K224-K226 PolarHBondContact O-N 3.24Å
225	S	79.4	Confident	85.4	Confident	66 Å²	66	80.2 Å²	80.2	46%	0.462	40%	0.401	S	S	.	.			trans	-64	132	167.8	178.8	0	0	0	0	109.2	K223 F227 T228	K223-S225 PolarHBondContact O-N 3.21Å; S225-F227 PolarHBondContact O-N 2.99Å; S225-F227 PolarHBondContact OG-N 3.29Å; S225-T228 PolarHBondContact O-OG1 3.09Å
226	K	67.3	Low	84.4	Confident	198 Å²	198	85.2 Å²	85.2	86%	0.861	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-2.9	177.7	-68.2	-175.9	178.5	177.8	0	113.5	K224	K224-K226 PolarHBondContact O-N 3.24Å
227	F	65.1	Low	83.3	Confident	178 Å²	178	89.8 Å²	89.8	78%	0.781	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	3.2	-171.1	-57.9	-73.1	0	0	0	115	S225 S229	S225-F227 PolarHBondContact O-N 2.99Å; S225-F227 PolarHBondContact OG-N 3.29Å; F227-S229 PolarHBondContact O-N 3.42Å; F227-S229 VanDerWaalsContact O-N 3.13Å
228	T	53.7	Low	82	Confident	96 Å²	96	97.3 Å²	97.3	59%	0.589	49%	0.487	S	S	*	.			trans	-79.3	98.1	172.2	45.2	0	0	0	0	109.1	S225	S225-T228 PolarHBondContact O-OG1 3.09Å
229	S	38.9	Very low	80.5	Confident	187 Å²	187	105.5 Å²	105.5	100%	1.308	53%	0.528	S	S	*	.			trans	-92.5	0	169.6	-45.7	0	0	0	0	110.3	F227	F227-S229 PolarHBondContact O-N 3.42Å; F227-S229 VanDerWaalsContact O-N 3.13Å

Retrieved 229 of 229 residues in 46.7 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).