A0A024R8S5_HUMAN Loading...

Protein disulfide-isomerase

AlphaFold DB (P07237), UniProt , Accession A0A024R8S5, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 508 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	40.8	Very low	37.4	Very low	238 Å²	238	164.1 Å²	164.1	100%	1.172	87%	0.865	S	S	*	*				0	96	0	-67.8	-177.5	-170.6	0	0	108.1
2	L	36.1	Very low	37.5	Very low	176 Å²	176	157.6 Å²	157.6	92%	0.921	85%	0.852	S	S	*	*			trans	-163.7	99.6	161.1	-123.7	98	0	0	0	106.6
3	R	37.2	Very low	37.2	Very low	254 Å²	254	151.9 Å²	151.9	96%	0.958	84%	0.84	S	S	*	*			trans	-72.2	120.4	174.5	-83	177.3	166.9	-177.5	-4.3	108
4	R	39.7	Very low	37.1	Very low	243 Å²	243	152.2 Å²	152.2	92%	0.917	84%	0.838	S	S	*	*			trans	-81.5	115.9	164.4	-82.6	-176.6	165	-169.4	-4.7	108.2
5	A	40.7	Very low	37	Very low	97 Å²	97	151 Å²	151	80%	0.802	84%	0.836	S	S	*	*			trans	-69.3	134.7	175.4	0	0	0	0	0	110.4	L7	A5-L7 PolarHBondContact O-N 2.95Å
6	L	38.5	Very low	37.3	Very low	162 Å²	162	155.3 Å²	155.3	85%	0.848	84%	0.836	S	S	*	*			trans	-65.6	122.2	164.9	-111.3	82.5	0	0	0	108.3	C8	L6-C8 PolarHBondContact O-N 3.27Å
7	L	37.4	Very low	37.9	Very low	157 Å²	157	149.2 Å²	149.2	82%	0.822	81%	0.812	S	S	*	*			trans	-83.3	98.7	167.2	-156.9	84.6	0	0	0	107.1	A5 L9	A5-L7 PolarHBondContact O-N 2.95Å; L7-L9 HydrophobicContact CD2-CD1 4.34Å; L7-L9 PolarHBondContact O-N 3.34Å
8	C	33.5	Very low	38.9	Very low	114 Å²	114	149.4 Å²	149.4	77%	0.77	81%	0.812	S	S	*	*			trans	-73.4	106.2	166.9	-76.9	0	0	0	0	108.3	L6 A10	L6-C8 PolarHBondContact O-N 3.27Å; C8-A10 PolarHBondContact O-N 3.36Å; C8-A10 VanDerWaalsContact O-N 3.15Å
9	L	35.2	Very low	40.1	Very low	144 Å²	144	145.9 Å²	145.9	75%	0.754	81%	0.806	S	S	*	*			trans	-72.5	98.2	168.1	-136.7	94	0	0	0	107.7	L7 V11	L7-L9 HydrophobicContact CD2-CD1 4.34Å; L7-L9 PolarHBondContact O-N 3.34Å; L9-V11 PolarHBondContact O-N 3.06Å
10	A	35.8	Very low	41.6	Very low	97 Å²	97	140.2 Å²	140.2	80%	0.802	78%	0.775	S	S	*	*			trans	-76.1	103.8	166.6	0	0	0	0	0	108	C8 A12	C8-A10 PolarHBondContact O-N 3.36Å; C8-A10 VanDerWaalsContact O-N 3.15Å; A10-A12 PolarHBondContact O-N 3.44Å; A10-A12 VanDerWaalsContact O-N 3.16Å
11	V	36.5	Very low	43.6	Very low	123 Å²	123	139.9 Å²	139.9	75%	0.745	77%	0.768	S	S	*	*			trans	-73.1	100.6	166.1	176.6	0	0	0	0	106.4	L9 A13	L9-V11 PolarHBondContact O-N 3.06Å; V11-A13 PolarHBondContact O-N 3.3Å; V11-A13 VanDerWaalsContact O-N 3.14Å
12	A	37.9	Very low	46.1	Very low	86 Å²	86	132 Å²	132	71%	0.711	73%	0.729	S	S	*	*			trans	-68.8	104	165.1	0	0	0	0	0	107.5	A10 L14	A10-A12 PolarHBondContact O-N 3.44Å; A10-A12 VanDerWaalsContact O-N 3.16Å; A12-L14 PolarHBondContact O-N 2.85Å; A12-L14 VanDerWaalsContact O-N 3.12Å
13	A	34.3	Very low	48.9	Very low	84 Å²	84	128.5 Å²	128.5	69%	0.694	71%	0.708	S	S	*	*			trans	-67.3	104.7	165.1	0	0	0	0	0	107.5	V11 V15	V11-A13 PolarHBondContact O-N 3.3Å; V11-A13 VanDerWaalsContact O-N 3.14Å; A13-V15 PolarHBondContact O-N 3.37Å; A13-V15 VanDerWaalsContact O-N 3.07Å
14	L	35.7	Very low	51.6	Low	156 Å²	156	122.5 Å²	122.5	82%	0.817	70%	0.695	S	S	*	*			trans	-64.1	104.9	158.9	-105.5	89.8	0	0	0	106.3	A12 R16	A12-L14 PolarHBondContact O-N 2.85Å; A12-L14 VanDerWaalsContact O-N 3.12Å; L14-R16 VanDerWaalsContact C-N 3.32Å; L14-R16 PolarHBondContact O-N 3.39Å
15	V	36.2	Very low	54.3	Low	134 Å²	134	114.5 Å²	114.5	81%	0.812	67%	0.668	S	S	*	*			trans	-64.2	101.2	159.3	179.2	0	0	0	0	105.1	A13 A17	A13-V15 PolarHBondContact O-N 3.37Å; A13-V15 VanDerWaalsContact O-N 3.07Å; V15-A17 PolarHBondContact O-N 3.31Å
16	R	41.3	Very low	57	Low	219 Å²	219	110.2 Å²	110.2	83%	0.826	63%	0.631	S	S	*	*			trans	-65	114.7	159.7	-86.7	179.9	168.6	173.7	-4.7	104.9	L14 D18	L14-R16 VanDerWaalsContact C-N 3.32Å; L14-R16 PolarHBondContact O-N 3.39Å; R16-D18 PolarHBondContact O-N 3.03Å
17	A	48.1	Very low	59.9	Low	52 Å²	52	102.8 Å²	102.8	43%	0.43	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-55	124.5	160	0	0	0	0	0	106.6	V15 A19 E36	V15-A17 PolarHBondContact O-N 3.31Å; A17-A19 PolarHBondContact O-N 3.3Å; A17-E36 VanDerWaalsContact CB-OE1 3.32Å; A17-E36 WeakPolarHBondContact CB-OE1 3.32Å
18	D	54.8	Low	62.7	Low	153 Å²	153	96 Å²	96	82%	0.818	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-61.3	128.7	177.8	-76.5	-38.1	0	0	0	107.8	R16	R16-D18 PolarHBondContact O-N 3.03Å
19	A	61.7	Low	65.8	Low	84 Å²	84	90.6 Å²	90.6	69%	0.694	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-54	141.4	179	0	0	0	0	0	109.5	A17 E21	A17-A19 PolarHBondContact O-N 3.3Å; A19-E21 PolarHBondContact O-N 3.49Å
20	P	70.5	Confident	68.7	Low	30 Å²	30	88 Å²	88	20%	0.195	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-50.4	133.2	178.9	18	-30.4	0	0	0	110.4	E22 L27 L29	P20-E22 PolarHBondContact O-N 3.09Å; P20-L27 HydrophobicContact CG-CD1 4.37Å; P20-L27 HydrophobicContact CG-CD2 4.04Å; P20-L29 HydrophobicContact CB-CD2 4.25Å
21	E	84.5	Confident	71.5	Confident	134 Å²	134	88.7 Å²	88.7	63%	0.626	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-46.2	137.1	171.2	-72.8	-83.8	158.2	0	0	109.5	A19 V28	A19-E21 PolarHBondContact O-N 3.49Å; E21-V28 HydrophobicContact CB-CB 4.21Å; E21-V28 HydrophobicContact CB-CG2 4.41Å; E21-V28 WeakPolarHBondContact O-CB 3.21Å; E21-V28 PolarHBondContact O-N 3.25Å
22	E	92.6	Very high	74.3	Confident	74 Å²	74	88.2 Å²	88.2	35%	0.346	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.6	-177.9	-175.5	-179.8	130.6	0	0	109.2	P20 H25 V26 L27 K71 R78	P20-E22 PolarHBondContact O-N 3.09Å; E22-H25 VanDerWaalsContact OE1-CA 3.26Å; E22-H25 WeakPolarHBondContact OE1-CA 3.42Å; E22-H25 IonicContact OE1-ND1 2.81Å; E22-H25 PolarHBondContact OE1-ND1 2.94Å; E22-V26 WeakPolarHBondContact CA-O 3.32Å; E22-L27 HydrophobicContact CB-CD2 4.44Å; E22-K71 IonicContact OE1-NZ 2.72Å; E22-K71 PolarHBondContact OE1-NZ 3.28Å; E22-K71 IonicContact OE2-NZ 2.69Å; E22-R78 IonicContact OE2-CZ 3.98Å; E22-R78 IonicContact OE2-NH1 2.85Å; E22-R78 IonicContact OE2-NH2 2.66Å; E22-R78 PolarHBondContact OE2-NH2 2.99Å
23	E	93.7	Very high	77.1	Confident	101 Å²	101	85.1 Å²	85.1	47%	0.472	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120	175.1	-70.2	-179.5	-162.2	0	0	109.2	H25 V26 V28 K81	E23-H25 PolarHBondContact O-N 2.79Å; E23-H25 VanDerWaalsContact O-N 3.09Å; E23-V26 PolarHBondContact N-O 3.13Å; E23-V26 WeakPolarHBondContact O-CA 3.3Å; E23-V26 VanDerWaalsContact O-CB 3.31Å; E23-V26 WeakPolarHBondContact O-CB 3.47Å; E23-V26 PolarHBondContact O-N 2.67Å; E23-V28 HydrophobicContact CB-CG2 4.35Å; E23-V28 HydrophobicContact CG-CG2 3.91Å; E23-K81 IonicContact OE2-NZ 2.67Å; E23-K81 PolarHBondContact OE2-NZ 2.96Å
24	D	95.2	Very high	80	Confident	128 Å²	128	81.5 Å²	81.5	68%	0.684	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	43	-178.9	-64.5	-38.1	0	0	0	114.2	V26 A64	D24-V26 VanDerWaalsContact C-N 3.27Å; D24-V26 PolarHBondContact O-N 3.02Å; D24-A64 HydrophobicContact CB-CB 3.78Å
25	H	96.4	Very high	82.8	Confident	76 Å²	76	77.7 Å²	77.7	35%	0.352	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	2.5	-178	-45	-47.6	0	0	0	117.1	E22 E23 A67 G68 K71	E22-H25 VanDerWaalsContact OE1-CA 3.26Å; E22-H25 WeakPolarHBondContact OE1-CA 3.42Å; E22-H25 IonicContact OE1-ND1 2.81Å; E22-H25 PolarHBondContact OE1-ND1 2.94Å; E23-H25 PolarHBondContact O-N 2.79Å; E23-H25 VanDerWaalsContact O-N 3.09Å; H25-A67 HydrophobicContact CB-CB 3.89Å; H25-G68 VanDerWaalsContact CD2-CA 3.48Å; H25-G68 WeakPolarHBondContact CD2-CA 3.25Å; H25-K71 HydrophobicContact CB-CD 4.25Å
26	V	98	Very high	85.7	Confident	7 Å²	7	76 Å²	76	4%	0.042	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127	177.9	-173.2	0	0	0	0	109.7	E22 E23 D24 Y63 A67 L79 K81	E22-V26 WeakPolarHBondContact CA-O 3.32Å; E23-V26 PolarHBondContact N-O 3.13Å; E23-V26 WeakPolarHBondContact O-CA 3.3Å; E23-V26 VanDerWaalsContact O-CB 3.31Å; E23-V26 WeakPolarHBondContact O-CB 3.47Å; E23-V26 PolarHBondContact O-N 2.67Å; D24-V26 VanDerWaalsContact C-N 3.27Å; D24-V26 PolarHBondContact O-N 3.02Å; V26-Y63 HydrophobicContact CG1-CD1 4.08Å; V26-Y63 HydrophobicContact CG1-CE1 3.83Å; V26-Y63 HydrophobicContact CG2-CD1 3.9Å; V26-Y63 HydrophobicContact CG2-CE1 4.33Å; V26-A67 HydrophobicContact CG2-CB 3.97Å; V26-L79 WeakPolarHBondContact CA-O 3.5Å; V26-K81 HydrophobicContact CG1-CB 4.01Å; V26-K81 HydrophobicContact CG1-CD 4.07Å; V26-K81 HydrophobicContact CG1-CG 3.85Å
27	L	97.6	Very high	88.3	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.026	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	131	176.4	-61.5	-179.5	0	0	0	110.7	P20 E22 L29 L44 R78 L79 A80 K81	P20-L27 HydrophobicContact CG-CD1 4.37Å; P20-L27 HydrophobicContact CG-CD2 4.04Å; E22-L27 HydrophobicContact CB-CD2 4.44Å; L27-L29 HydrophobicContact CB-CD2 4.23Å; L27-L44 HydrophobicContact CD1-CD1 4.24Å; L27-R78 HydrophobicContact CD1-CB 4.47Å; L27-L79 PolarHBondContact N-O 2.95Å; L27-A80 HydrophobicContact CB-CB 3.95Å; L27-A80 CarbonylContact O-C 3.59Å; L27-A80 WeakPolarHBondContact O-CA 3.28Å; L27-K81 PolarHBondContact O-N 3.47Å
28	V	97.8	Very high	90.5	Very high	14 Å²	14	63.5 Å²	63.5	9%	0.085	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	109	173.9	-176.5	0	0	0	0	108.7	E21 E23 N33	E21-V28 HydrophobicContact CB-CB 4.21Å; E21-V28 HydrophobicContact CB-CG2 4.41Å; E21-V28 WeakPolarHBondContact O-CB 3.21Å; E21-V28 PolarHBondContact O-N 3.25Å; E23-V28 HydrophobicContact CB-CG2 4.35Å; E23-V28 HydrophobicContact CG-CG2 3.91Å; V28-N33 PolarHBondContact O-ND2 2.85Å
29	L	97.5	Very high	92.4	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	144.6	-179.5	-56.2	-175.9	0	0	0	111.3	P20 L27 N33 F34 A37 L44 V46 A80 K81 V82	P20-L29 HydrophobicContact CB-CD2 4.25Å; L27-L29 HydrophobicContact CB-CD2 4.23Å; L29-N33 WeakPolarHBondContact CA-OD1 3.44Å; L29-F34 HydrophobicContact CB-CD2 3.93Å; L29-F34 HydrophobicContact CD1-CD2 3.69Å; L29-F34 HydrophobicContact CD1-CE2 3.86Å; L29-F34 HydrophobicContact CG-CD2 4.45Å; L29-A37 HydrophobicContact CD1-CB 4.12Å; L29-A37 HydrophobicContact CD2-CB 3.43Å; L29-A37 VanDerWaalsContact CD2-CB 3.43Å; L29-A37 HydrophobicContact CG-CB 4.44Å; L29-L44 HydrophobicContact CD1-CD2 4.13Å; L29-V46 HydrophobicContact CD1-CG2 4.27Å; L29-A80 HydrophobicContact CD1-CB 3.52Å; L29-A80 HydrophobicContact CG-CB 3.84Å; L29-K81 PolarHBondContact N-O 2.92Å; L29-V82 HydrophobicContact CB-CG2 3.83Å
30	R	96.8	Very high	94	Very high	90 Å²	90	59.9 Å²	59.9	34%	0.34	34%	0.337	S	S	.	.			trans	-135.7	162.8	178.9	-64.7	-171.4	-177.3	79.4	2.5	108.1	S32 N33 F34 E87	R30-S32 PolarHBondContact O-N 3.05Å; R30-N33 PolarHBondContact N-OD1 3.04Å; R30-N33 PolarHBondContact O-N 2.72Å; R30-N33 PolarHBondContact O-OD1 3.03Å; R30-F34 WeakPolarHBondContact O-CB 3.41Å; R30-F34 PolarHBondContact O-N 3.34Å; R30-E87 WeakPolarHBondContact CB-OE1 3.48Å; R30-E87 VanDerWaalsContact CG-OE1 3.24Å; R30-E87 WeakPolarHBondContact CG-OE1 3.43Å
31	K	94.7	Very high	95.2	Very high	111 Å²	111	60.6 Å²	60.6	48%	0.483	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-32.6	175.3	-174.8	166.7	176.6	165	0	112.5	E87 D89	K31-E87 WeakPolarHBondContact CB-OE2 3.45Å; K31-E87 PolarHBondContact N-OE2 3.05Å; K31-D89 HydrophobicContact CD-CB 4.2Å; K31-D89 IonicContact NZ-OD2 2.66Å; K31-D89 PolarHBondContact NZ-OD2 3.34Å
32	S	94.8	Very high	95.6	Very high	112 Å²	112	58 Å²	58	78%	0.783	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.2	180	63.8	0	0	0	0	115.8	R30	R30-S32 PolarHBondContact O-N 3.05Å
33	N	96	Very high	95.7	Very high	21 Å²	21	55.2 Å²	55.2	11%	0.112	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-0.7	-176.4	71.9	-3.3	0	0	0	114	V28 L29 R30 E36 A37	V28-N33 PolarHBondContact O-ND2 2.85Å; L29-N33 WeakPolarHBondContact CA-OD1 3.44Å; R30-N33 PolarHBondContact N-OD1 3.04Å; R30-N33 PolarHBondContact O-N 2.72Å; R30-N33 PolarHBondContact O-OD1 3.03Å; N33-E36 PolarHBondContact O-N 3.32Å; N33-A37 PolarHBondContact O-N 3.15Å
34	F	96.4	Very high	95.9	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.035	29%	0.288	C	S	.	.	H	α-helix	trans	-60.4	-49.9	-176.1	-167.9	-97.4	0	0	0	112.9	L29 R30 E36 A37 L38 V46 F48 V82 L90 Y94 F105	L29-F34 HydrophobicContact CB-CD2 3.93Å; L29-F34 HydrophobicContact CD1-CD2 3.69Å; L29-F34 HydrophobicContact CD1-CE2 3.86Å; L29-F34 HydrophobicContact CG-CD2 4.45Å; R30-F34 WeakPolarHBondContact O-CB 3.41Å; R30-F34 PolarHBondContact O-N 3.34Å; F34-E36 VanDerWaalsContact C-N 3.32Å; F34-E36 PolarHBondContact O-N 2.72Å; F34-A37 PolarHBondContact O-N 3.09Å; F34-L38 HydrophobicContact CD1-CD1 3.7Å; F34-L38 HydrophobicContact CD1-CG 4.29Å; F34-L38 HydrophobicContact CE1-CD1 3.36Å; F34-L38 HydrophobicContact CE1-CG 4.03Å; F34-L38 HydrophobicContact CZ-CD1 4.21Å; F34-L38 PolarHBondContact O-N 2.57Å; F34-V46 HydrophobicContact CE2-CG1 4.01Å; F34-V46 HydrophobicContact CE2-CG2 4.16Å; F34-V46 HydrophobicContact CZ-CG2 4.37Å; F34-F48 HydrophobicContact CE2-CZ 4.45Å; F34-F48 HydrophobicContact CZ-CZ 4.36Å; F34-V82 HydrophobicContact CD2-CG2 4.12Å; F34-V82 HydrophobicContact CE2-CG2 4Å; F34-L90 HydrophobicContact CB-CD1 4.34Å; F34-L90 HydrophobicContact CB-CD2 4.08Å; F34-L90 HydrophobicContact CD1-CD1 3.87Å; F34-L90 HydrophobicContact CD2-CD1 4.26Å; F34-L90 HydrophobicContact CD2-CD2 3.67Å; F34-L90 HydrophobicContact CD2-CG 4.46Å; F34-L90 HydrophobicContact CE1-CD1 4.21Å; F34-L90 HydrophobicContact CE2-CD2 4.27Å; F34-L90 HydrophobicContact CG-CD1 3.9Å; F34-L90 HydrophobicContact CG-CD2 3.91Å; F34-Y94 HydrophobicContact CD1-CE2 4.3Å; F34-Y94 AromaticContact CE1-CE2 3.48Å; F34-Y94 HydrophobicContact CE1-CE2 3.48Å; F34-Y94 VanDerWaalsContact CE1-CE2 3.48Å; F34-Y94 AromaticContact CE1-CZ 3.72Å; F34-Y94 WeakPolarHBondContact CE1-OH 3.29Å; F34-Y94 AromaticContact CZ-CE2 3.83Å; F34-Y94 HydrophobicContact CZ-CE2 3.83Å; F34-F105 HydrophobicContact CE1-CZ 4.38Å; F34-F105 HydrophobicContact CZ-CE1 4.41Å; F34-F105 HydrophobicContact CZ-CE2 4.12Å; F34-F105 AromaticContact CZ-CZ 3.88Å; F34-F105 HydrophobicContact CZ-CZ 3.88Å
35	A	94.8	Very high	96.1	Very high	76 Å²	76	44.3 Å²	44.3	63%	0.628	26%	0.255	S	S	*	.	H	α-helix	trans	-64.8	-36.3	-179.6	0	0	0	0	0	112.5	L38 A39	A35-L38 PolarHBondContact O-N 2.98Å; A35-A39 PolarHBondContact O-N 3.11Å
36	E	95.4	Very high	96.2	Very high	99 Å²	99	40.7 Å²	40.7	46%	0.463	24%	0.239	S	C	.	.	H	α-helix	trans	-65.2	-44.1	175.1	-176.6	177.8	-172.1	0	0	111	A17 N33 F34 L38 A39 A40	A17-E36 VanDerWaalsContact CB-OE1 3.32Å; A17-E36 WeakPolarHBondContact CB-OE1 3.32Å; N33-E36 PolarHBondContact O-N 3.32Å; F34-E36 VanDerWaalsContact C-N 3.32Å; F34-E36 PolarHBondContact O-N 2.72Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.19Å; E36-A39 PolarHBondContact O-N 3.18Å; E36-A40 WeakPolarHBondContact O-CB 3.27Å; E36-A40 PolarHBondContact O-N 3.24Å
37	A	96	Very high	96.2	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-41.1	176.8	0	0	0	0	0	112.1	L29 N33 F34 A40 H41 L44	L29-A37 HydrophobicContact CD1-CB 4.12Å; L29-A37 HydrophobicContact CD2-CB 3.43Å; L29-A37 VanDerWaalsContact CD2-CB 3.43Å; L29-A37 HydrophobicContact CG-CB 4.44Å; N33-A37 PolarHBondContact O-N 3.15Å; F34-A37 PolarHBondContact O-N 3.09Å; A37-A40 PolarHBondContact O-N 2.92Å; A37-H41 WeakPolarHBondContact O-CB 3.28Å; A37-H41 PolarHBondContact O-N 3.17Å; A37-H41 VanDerWaalsContact O-N 3.08Å; A37-H41 PolarHBondContact O-ND1 3.08Å; A37-L44 HydrophobicContact CB-CD2 4.22Å
38	L	95.6	Very high	96.3	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-63.4	-40.1	175.3	-78.2	177.8	0	0	0	113.1	F34 A35 E36 L44 F105 G108 T110	F34-L38 HydrophobicContact CD1-CD1 3.7Å; F34-L38 HydrophobicContact CD1-CG 4.29Å; F34-L38 HydrophobicContact CE1-CD1 3.36Å; F34-L38 HydrophobicContact CE1-CG 4.03Å; F34-L38 HydrophobicContact CZ-CD1 4.21Å; F34-L38 PolarHBondContact O-N 2.57Å; A35-L38 PolarHBondContact O-N 2.98Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.19Å; L38-L44 HydrophobicContact CD2-CD2 4Å; L38-L44 HydrophobicContact CG-CD2 4.49Å; L38-F105 HydrophobicContact CD1-CD1 4.25Å; L38-F105 HydrophobicContact CD1-CE1 4.47Å; L38-F105 HydrophobicContact CD2-CB 3.35Å; L38-F105 HydrophobicContact CD2-CD1 3.6Å; L38-F105 HydrophobicContact CD2-CD2 4.1Å; L38-F105 HydrophobicContact CD2-CE1 4.39Å; L38-F105 HydrophobicContact CD2-CG 3.41Å; L38-F105 VanDerWaalsContact CD2-CG 3.41Å; L38-G108 WeakPolarHBondContact O-CA 3.3Å; L38-T110 HydrophobicContact CD1-CG2 3.52Å
39	A	94.4	Very high	96.2	Very high	89 Å²	89	41.9 Å²	41.9	74%	0.736	24%	0.241	S	C	*	.	H	α-helix	trans	-70.5	-33.5	177.1	0	0	0	0	0	112.5	A35 E36	A35-A39 PolarHBondContact O-N 3.11Å; E36-A39 PolarHBondContact O-N 3.18Å
40	A	95	Very high	96.1	Very high	72 Å²	72	41.8 Å²	41.8	60%	0.595	24%	0.24	S	C	*	.	H	α-helix	trans	-79.2	-26.4	-178	0	0	0	0	0	113.8	E36 A37	E36-A40 WeakPolarHBondContact O-CB 3.27Å; E36-A40 PolarHBondContact O-N 3.24Å; A37-A40 PolarHBondContact O-N 2.92Å
41	H	95	Very high	95.9	Very high	45 Å²	45	40.4 Å²	40.4	21%	0.208	24%	0.243	C	C	.	.			trans	-120.1	113.3	-173	-55.3	95.9	0	0	0	111.4	A37 Y43 L44	A37-H41 WeakPolarHBondContact O-CB 3.28Å; A37-H41 PolarHBondContact O-N 3.17Å; A37-H41 VanDerWaalsContact O-N 3.08Å; A37-H41 PolarHBondContact O-ND1 3.08Å; H41-Y43 VanDerWaalsContact C-N 3.25Å; H41-Y43 PolarHBondContact O-N 3.28Å; H41-L44 HydrophobicContact CB-CB 4.27Å; H41-L44 HydrophobicContact CB-CD1 4.18Å
42	K	93.1	Very high	95.7	Very high	79 Å²	79	43.3 Å²	43.3	34%	0.343	25%	0.251	S	S	.	.	S	Bend	trans	-60.1	-35.3	178.9	-170.2	-175.7	177.5	-168.4	0	112.6	R106 N107	K42-R106 CarbonylContact O-C 3.46Å; K42-R106 WeakPolarHBondContact O-CA 3.31Å; K42-N107 WeakPolarHBondContact CE-OD1 3.33Å; K42-N107 WeakPolarHBondContact CG-OD1 3.49Å; K42-N107 PolarHBondContact O-N 3.35Å
43	Y	96.3	Very high	95.5	Very high	16 Å²	16	38.7 Å²	38.7	6%	0.063	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	104.2	-178.9	-53.7	-49.3	0	0	0	109.5	H41 E76 I77 R78 F104 R106 T133	H41-Y43 VanDerWaalsContact C-N 3.25Å; H41-Y43 PolarHBondContact O-N 3.28Å; Y43-E76 HydrophobicContact CD2-CB 4.36Å; Y43-I77 HydrophobicContact CD2-CG1 4.15Å; Y43-R78 PolarHBondContact O-N 2.94Å; Y43-F104 AromaticContact CD1-CZ 3.9Å; Y43-F104 HydrophobicContact CD1-CZ 3.9Å; Y43-F104 HydrophobicContact CG-CZ 4.34Å; Y43-R106 HydrophobicContact CD1-CG 4.15Å; Y43-R106 HydrophobicContact CE1-CG 4.04Å; Y43-T133 HydrophobicContact CD1-CG2 3.67Å; Y43-T133 HydrophobicContact CD2-CG2 3.69Å; Y43-T133 HydrophobicContact CE1-CG2 4.09Å; Y43-T133 HydrophobicContact CE2-CG2 4.09Å; Y43-T133 HydrophobicContact CG-CG2 3.45Å; Y43-T133 VanDerWaalsContact CG-CG2 3.45Å
44	L	97.8	Very high	95.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	115.6	-175.4	-167	66	0	0	0	110.2	L27 L29 A37 L38 H41 V46 R78 A80 F105	L27-L44 HydrophobicContact CD1-CD1 4.24Å; L29-L44 HydrophobicContact CD1-CD2 4.13Å; A37-L44 HydrophobicContact CB-CD2 4.22Å; L38-L44 HydrophobicContact CD2-CD2 4Å; L38-L44 HydrophobicContact CG-CD2 4.49Å; H41-L44 HydrophobicContact CB-CB 4.27Å; H41-L44 HydrophobicContact CB-CD1 4.18Å; L44-V46 HydrophobicContact CD2-CG2 4.17Å; L44-V46 HydrophobicContact CG-CG2 4.08Å; L44-R78 WeakPolarHBondContact CA-O 3.43Å; L44-R78 HydrophobicContact CD1-CB 3.77Å; L44-A80 HydrophobicContact CD1-CB 4.03Å; L44-A80 HydrophobicContact CG-CB 4.34Å; L44-F105 PolarHBondContact N-O 3.08Å; L44-F105 PolarHBondContact O-N 3.37Å
45	L	98.5	Very high	95.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	128	169.3	-167.9	68.3	0	0	0	108.2	Y63 R78 L79 A80 I102 F104 I125 W128 L129	L45-Y63 HydrophobicContact CD2-CE2 3.85Å; L45-Y63 HydrophobicContact CG-CE2 4.4Å; L45-Y63 PolarHBondContact O-OH 3.22Å; L45-R78 PolarHBondContact N-O 3.38Å; L45-L79 HydrophobicContact CB-CD1 4.24Å; L45-L79 HydrophobicContact CB-CG 4.2Å; L45-L79 HydrophobicContact CD2-CG 4.33Å; L45-L79 CarbonylContact O-C 3.48Å; L45-L79 WeakPolarHBondContact O-CA 3.36Å; L45-A80 PolarHBondContact O-N 3.31Å; L45-I102 HydrophobicContact CD1-CG2 3.66Å; L45-I102 HydrophobicContact CD2-CG2 4.03Å; L45-I102 HydrophobicContact CG-CG2 3.73Å; L45-F104 HydrophobicContact CB-CD2 4.48Å; L45-F104 HydrophobicContact CD1-CB 3.73Å; L45-F104 HydrophobicContact CD1-CD2 4.27Å; L45-F104 HydrophobicContact CD1-CG 4.49Å; L45-I125 HydrophobicContact CD2-CG2 3.85Å; L45-W128 HydrophobicContact CD1-CZ3 4.49Å; L45-L129 HydrophobicContact CB-CD2 4.09Å; L45-L129 HydrophobicContact CD1-CD2 4.26Å; L45-L129 HydrophobicContact CD2-CD1 3.97Å; L45-L129 HydrophobicContact CD2-CD2 4.22Å; L45-L129 HydrophobicContact CD2-CG 4.36Å; L45-L129 HydrophobicContact CG-CD2 4.43Å
46	V	98.5	Very high	95.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.2	-178.2	-176.5	0	0	0	0	109.4	L29 F34 L44 F48 A80 V82 I102 K103 F105	L29-V46 HydrophobicContact CD1-CG2 4.27Å; F34-V46 HydrophobicContact CE2-CG1 4.01Å; F34-V46 HydrophobicContact CE2-CG2 4.16Å; F34-V46 HydrophobicContact CZ-CG2 4.37Å; L44-V46 HydrophobicContact CD2-CG2 4.17Å; L44-V46 HydrophobicContact CG-CG2 4.08Å; V46-F48 HydrophobicContact CB-CE2 4.26Å; V46-F48 HydrophobicContact CG1-CD2 4.22Å; V46-F48 HydrophobicContact CG1-CE2 3.81Å; V46-F48 HydrophobicContact CG1-CZ 4.03Å; V46-A80 CarbonylContact C-O 3.55Å; V46-A80 WeakPolarHBondContact CA-O 3.08Å; V46-A80 HydrophobicContact CG2-CB 4.2Å; V46-V82 HydrophobicContact CG1-CG2 3.8Å; V46-I102 CarbonylContact O-C 3.58Å; V46-I102 WeakPolarHBondContact O-CA 3.3Å; V46-K103 PolarHBondContact N-O 3.1Å; V46-K103 PolarHBondContact O-N 3.35Å; V46-F105 HydrophobicContact CB-CD2 4.3Å; V46-F105 HydrophobicContact CB-CE2 3.94Å; V46-F105 HydrophobicContact CG2-CD2 3.68Å; V46-F105 HydrophobicContact CG2-CE2 3.69Å
47	E	98.5	Very high	95.1	Very high	7 Å²	7	43.5 Å²	43.5	3%	0.033	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.1	168.1	-178.2	-170.1	-171.4	0	0	110.4	Y63 A80 K81 V82 P100 I102	E47-Y63 HydrophobicContact CB-CE1 4.22Å; E47-Y63 HydrophobicContact CB-CE2 4.25Å; E47-A80 PolarHBondContact N-O 2.86Å; E47-K81 HydrophobicContact CB-CB 4.45Å; E47-K81 CarbonylContact O-C 3.55Å; E47-K81 VanDerWaalsContact O-CA 3.23Å; E47-K81 WeakPolarHBondContact O-CA 3.23Å; E47-V82 PolarHBondContact O-N 3.36Å; E47-P100 HydrophobicContact CG-CB 4.15Å; E47-I102 HydrophobicContact CB-CG1 4.37Å; E47-I102 HydrophobicContact CG-CG1 4.2Å
48	F	98.4	Very high	95.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.3	165.7	-62	-96.2	0	0	0	108.5	F34 V46 V82 L90 A91 Y94 V96 P100 T101 K103	F34-F48 HydrophobicContact CE2-CZ 4.45Å; F34-F48 HydrophobicContact CZ-CZ 4.36Å; V46-F48 HydrophobicContact CB-CE2 4.26Å; V46-F48 HydrophobicContact CG1-CD2 4.22Å; V46-F48 HydrophobicContact CG1-CE2 3.81Å; V46-F48 HydrophobicContact CG1-CZ 4.03Å; F48-V82 WeakPolarHBondContact CA-O 3.29Å; F48-V82 HydrophobicContact CD1-CB 3.77Å; F48-V82 HydrophobicContact CD1-CG1 3.86Å; F48-V82 HydrophobicContact CD1-CG2 4.32Å; F48-V82 HydrophobicContact CE1-CB 4.03Å; F48-V82 HydrophobicContact CE1-CG1 4.07Å; F48-V82 HydrophobicContact CE1-CG2 4.1Å; F48-V82 HydrophobicContact CG-CB 4.46Å; F48-L90 HydrophobicContact CE1-CG 4.36Å; F48-A91 HydrophobicContact CD1-CB 4.32Å; F48-Y94 HydrophobicContact CE1-CD2 4.25Å; F48-Y94 AromaticContact CZ-CD2 3.78Å; F48-Y94 HydrophobicContact CZ-CD2 3.78Å; F48-Y94 HydrophobicContact CZ-CG 4.25Å; F48-V96 HydrophobicContact CB-CG1 3.99Å; F48-V96 HydrophobicContact CB-CG2 3.93Å; F48-V96 HydrophobicContact CD1-CG2 3.93Å; F48-V96 HydrophobicContact CD2-CG2 3.96Å; F48-V96 HydrophobicContact CE1-CG2 4.42Å; F48-V96 HydrophobicContact CE2-CG2 4.46Å; F48-V96 HydrophobicContact CG-CG2 3.67Å; F48-P100 WeakPolarHBondContact O-CA 3.37Å; F48-T101 HydrophobicContact CD2-CG2 4.49Å; F48-T101 PolarHBondContact N-O 3.11Å; F48-T101 PolarHBondContact O-N 3.42Å; F48-T101 VanDerWaalsContact O-N 3.07Å; F48-K103 HydrophobicContact CE2-CB 4.37Å; F48-K103 HydrophobicContact CE2-CD 4.37Å
49	Y	97.6	Very high	95.1	Very high	44 Å²	44	46.6 Å²	46.6	17%	0.173	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	167.6	-171.8	79.3	-81.3	0	0	0	112.4	P51 K81 V82 D83 A84	Y49-P51 HydrophobicContact CE2-CG 4.19Å; Y49-K81 HydrophobicContact CD1-CB 4Å; Y49-K81 HydrophobicContact CE1-CB 3.8Å; Y49-K81 HydrophobicContact CE1-CD 3.81Å; Y49-K81 HydrophobicContact CE1-CG 3.91Å; Y49-V82 WeakPolarHBondContact CD1-O 3.23Å; Y49-V82 PolarHBondContact N-O 2.98Å; Y49-D83 HydrophobicContact CE1-CB 4.08Å; Y49-A84 PolarHBondContact O-N 3.41Å
50	A	94.4	Very high	95.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	C	.	.			trans	-126.7	136	168	0	0	0	0	0	110.1	W52 C53 T85 Y99	A50-W52 HydrophobicContact CB-CD2 4.12Å; A50-W52 HydrophobicContact CB-CH2 4.44Å; A50-W52 HydrophobicContact CB-CZ2 3.8Å; A50-W52 PolarHBondContact O-N 2.92Å; A50-W52 VanDerWaalsContact O-N 3.08Å; A50-C53 HydrophobicContact CB-CB 4.41Å; A50-C53 WeakPolarHBondContact O-CB 3.42Å; A50-C53 PolarHBondContact O-N 3.35Å; A50-T85 HydrophobicContact CB-CG2 3.76Å; A50-Y99 HydrophobicContact CB-CD1 4.47Å; A50-Y99 HydrophobicContact CB-CD2 3.72Å; A50-Y99 HydrophobicContact CB-CE2 3.92Å; A50-Y99 HydrophobicContact CB-CG 4.02Å
51	P	93	Very high	95.4	Very high	61 Å²	61	45.1 Å²	45.1	40%	0.396	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.2	-175	-28.7	35.7	0	0	0	115.1	Y49 K57 D83	Y49-P51 HydrophobicContact CE2-CG 4.19Å; P51-K57 WeakPolarHBondContact O-CE 3.47Å; P51-D83 WeakPolarHBondContact CD-OD1 3.17Å; P51-D83 VanDerWaalsContact CD-OD2 3.31Å; P51-D83 WeakPolarHBondContact CD-OD2 3.09Å; P51-D83 WeakPolarHBondContact CG-OD2 3.46Å
52	W	90.1	Very high	95.5	Very high	172 Å²	172	45.4 Å²	45.4	65%	0.652	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-14.8	-179.7	48.3	-99.9	0	0	0	113.3	A50 G54 Y99	A50-W52 HydrophobicContact CB-CD2 4.12Å; A50-W52 HydrophobicContact CB-CH2 4.44Å; A50-W52 HydrophobicContact CB-CZ2 3.8Å; A50-W52 PolarHBondContact O-N 2.92Å; A50-W52 VanDerWaalsContact O-N 3.08Å; W52-G54 PolarHBondContact O-N 2.99Å; W52-Y99 HydrophobicContact CH2-CD2 4.04Å; W52-Y99 HydrophobicContact CH2-CE2 4.1Å; W52-Y99 HydrophobicContact CZ2-CD2 4.3Å; W52-Y99 HydrophobicContact CZ2-CE2 4.05Å
53	C	90.8	Very high	95.8	Very high	14 Å²	14	41.8 Å²	41.8	10%	0.095	23%	0.232	C	C	.	.			trans	-71.1	123.3	-177.9	175.7	0	0	0	0	111.7	A50 H55 C56 K57 Y99	A50-C53 HydrophobicContact CB-CB 4.41Å; A50-C53 WeakPolarHBondContact O-CB 3.42Å; A50-C53 PolarHBondContact O-N 3.35Å; C53-H55 VanDerWaalsContact C-N 3.34Å; C53-H55 PolarHBondContact O-N 2.92Å; C53-C56 HydrophobicContact CB-CB 4.02Å; C53-C56 PolarHBondContact O-N 3.36Å; C53-C56 VanDerWaalsContact SG-SG 3.62Å; C53-K57 WeakPolarHBondContact O-CG 3.5Å; C53-K57 PolarHBondContact O-N 3.14Å; C53-K57 VanDerWaalsContact O-N 3.1Å; C53-Y99 PolarHBondContact SG-O 2.87Å
54	G	91.6	Very high	95.9	Very high	52 Å²	52	41.9 Å²	41.9	54%	0.536	24%	0.236	S	C	.	.	H	α-helix	trans	-61.4	-39.1	179.8	0	0	0	0	0	113.3	W52 K57 A58	W52-G54 PolarHBondContact O-N 2.99Å; G54-K57 PolarHBondContact O-N 3.05Å; G54-A58 PolarHBondContact O-N 3.32Å; G54-A58 VanDerWaalsContact O-N 3.08Å
55	H	93.1	Very high	95.9	Very high	115 Å²	115	46.2 Å²	46.2	53%	0.532	26%	0.255	S	S	.	.	H	α-helix	trans	-65.3	-39.4	177	-67.1	-56.2	0	0	0	112.6	C53 A58 L59 R120	C53-H55 VanDerWaalsContact C-N 3.34Å; C53-H55 PolarHBondContact O-N 2.92Å; H55-A58 PolarHBondContact O-N 2.91Å; H55-L59 WeakPolarHBondContact O-CB 3.04Å; H55-L59 PolarHBondContact O-N 2.9Å; H55-R120 PolarHBondContact ND1-NH1 3.47Å
56	C	94.3	Very high	95.9	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-44.8	175	-62	0	0	0	0	111.4	C53 A58 L59 A60	C53-C56 HydrophobicContact CB-CB 4.02Å; C53-C56 PolarHBondContact O-N 3.36Å; C53-C56 VanDerWaalsContact SG-SG 3.62Å; C56-A58 VanDerWaalsContact C-N 3.26Å; C56-A58 PolarHBondContact O-N 2.73Å; C56-L59 PolarHBondContact O-N 2.94Å; C56-L59 VanDerWaalsContact O-N 3.15Å; C56-A60 PolarHBondContact O-N 2.86Å
57	K	94.4	Very high	95.8	Very high	133 Å²	133	46.4 Å²	46.4	58%	0.578	26%	0.257	S	S	*	.	H	α-helix	trans	-59	-37.9	176.1	-69.6	178.8	-174.3	-179	0	112.5	P51 C53 G54 P61	P51-K57 WeakPolarHBondContact O-CE 3.47Å; C53-K57 WeakPolarHBondContact O-CG 3.5Å; C53-K57 PolarHBondContact O-N 3.14Å; C53-K57 VanDerWaalsContact O-N 3.1Å; G54-K57 PolarHBondContact O-N 3.05Å; K57-P61 WeakPolarHBondContact O-CD 3.43Å
58	A	95.8	Very high	95.8	Very high	69 Å²	69	47 Å²	47	57%	0.57	26%	0.264	S	S	*	.	H	α-helix	trans	-72.5	-35.4	177.2	0	0	0	0	0	112.7	G54 H55 C56 P61	G54-A58 PolarHBondContact O-N 3.32Å; G54-A58 VanDerWaalsContact O-N 3.08Å; H55-A58 PolarHBondContact O-N 2.91Å; C56-A58 VanDerWaalsContact C-N 3.26Å; C56-A58 PolarHBondContact O-N 2.73Å; A58-P61 WeakPolarHBondContact O-CD 3.25Å
59	L	97	Very high	95.8	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-75.8	-36.1	-179.7	179.5	62.6	0	0	0	113	H55 C56 E62 Y63 P100 I102 R120 I125	H55-L59 WeakPolarHBondContact O-CB 3.04Å; H55-L59 PolarHBondContact O-N 2.9Å; C56-L59 PolarHBondContact O-N 2.94Å; C56-L59 VanDerWaalsContact O-N 3.15Å; L59-E62 PolarHBondContact O-N 2.82Å; L59-Y63 PolarHBondContact O-N 3.46Å; L59-P100 HydrophobicContact CD2-CB 4.17Å; L59-P100 HydrophobicContact CD2-CG 3.89Å; L59-I102 HydrophobicContact CD2-CD1 3.59Å; L59-R120 HydrophobicContact CD1-CB 4.09Å; L59-R120 HydrophobicContact CD1-CG 4.42Å; L59-I125 HydrophobicContact CD1-CD1 4.27Å
60	A	96.4	Very high	95.7	Very high	50 Å²	50	47.8 Å²	47.8	41%	0.413	27%	0.269	S	S	.	.	H	α-helix	trans	-44	-50.2	-176.1	0	0	0	0	0	115.2	C56 E62 Y63 A64	C56-A60 PolarHBondContact O-N 2.86Å; A60-E62 PolarHBondContact O-N 3.06Å; A60-Y63 PolarHBondContact O-N 2.87Å; A60-A64 WeakPolarHBondContact O-CB 3.39Å; A60-A64 PolarHBondContact O-N 2.88Å
61	P	97.9	Very high	95.7	Very high	80 Å²	80	52.3 Å²	52.3	52%	0.519	29%	0.289	S	S	.	.	H	α-helix	trans	-65.7	-36.7	178.6	25.1	-34.9	0	0	0	113.6	K57 A58 K65	K57-P61 WeakPolarHBondContact O-CD 3.43Å; A58-P61 WeakPolarHBondContact O-CD 3.25Å; P61-K65 WeakPolarHBondContact O-CB 3.42Å; P61-K65 PolarHBondContact O-N 2.92Å
62	E	98.3	Very high	95.9	Very high	51 Å²	51	53.9 Å²	53.9	24%	0.238	31%	0.307	C	S	.	.	H	α-helix	trans	-73.2	-35.4	177.2	-70.5	-59.7	129	0	0	111.5	L59 A60 K65 A66 R120 A122	L59-E62 PolarHBondContact O-N 2.82Å; A60-E62 PolarHBondContact O-N 3.06Å; E62-K65 PolarHBondContact O-N 3.32Å; E62-K65 IonicContact OE1-NZ 2.69Å; E62-K65 PolarHBondContact OE1-NZ 2.84Å; E62-K65 VanDerWaalsContact OE1-NZ 3.09Å; E62-K65 IonicContact OE2-NZ 3.7Å; E62-K65 PolarHBondContact OE2-NZ 2.68Å; E62-A66 WeakPolarHBondContact O-CB 3.17Å; E62-A66 PolarHBondContact O-N 2.68Å; E62-R120 WeakPolarHBondContact CB-O 3.41Å; E62-A122 HydrophobicContact CB-CB 4.45Å; E62-A122 WeakPolarHBondContact O-CB 3.39Å; E62-A122 WeakPolarHBondContact OE2-CB 3.36Å; E62-A122 PolarHBondContact OE2-N 3.06Å
63	Y	98.3	Very high	96.1	Very high	3 Å²	3	51 Å²	51	1%	0.012	30%	0.301	C	S	.	.	H	α-helix	trans	-65.1	-46	175.2	-158.5	-101.5	0	0	0	111.9	V26 L45 E47 L59 A60 K65 A66 A67 L79 A80 I125	V26-Y63 HydrophobicContact CG1-CD1 4.08Å; V26-Y63 HydrophobicContact CG1-CE1 3.83Å; V26-Y63 HydrophobicContact CG2-CD1 3.9Å; V26-Y63 HydrophobicContact CG2-CE1 4.33Å; L45-Y63 HydrophobicContact CD2-CE2 3.85Å; L45-Y63 HydrophobicContact CG-CE2 4.4Å; L45-Y63 PolarHBondContact O-OH 3.22Å; E47-Y63 HydrophobicContact CB-CE1 4.22Å; E47-Y63 HydrophobicContact CB-CE2 4.25Å; L59-Y63 PolarHBondContact O-N 3.46Å; A60-Y63 PolarHBondContact O-N 2.87Å; Y63-K65 PolarHBondContact O-N 3.42Å; Y63-A66 WeakPolarHBondContact O-CB 3.47Å; Y63-A66 PolarHBondContact O-N 2.88Å; Y63-A67 PolarHBondContact O-N 2.86Å; Y63-L79 HydrophobicContact CD1-CB 4.36Å; Y63-L79 HydrophobicContact CD1-CD2 3.95Å; Y63-L79 HydrophobicContact CD2-CD2 3.98Å; Y63-L79 HydrophobicContact CE1-CB 3.62Å; Y63-L79 HydrophobicContact CE1-CD2 3.77Å; Y63-L79 HydrophobicContact CE1-CG 3.85Å; Y63-L79 HydrophobicContact CE2-CD2 3.79Å; Y63-L79 HydrophobicContact CE2-CG 4.14Å; Y63-L79 HydrophobicContact CG-CD2 4.05Å; Y63-L79 WeakPolarHBondContact O-CD2 3.46Å; Y63-A80 PolarHBondContact OH-O 3.34Å; Y63-A80 VanDerWaalsContact OH-O 3.14Å; Y63-I125 HydrophobicContact CD2-CD1 4.1Å
64	A	98.2	Very high	96.2	Very high	19 Å²	19	53.5 Å²	53.5	16%	0.157	33%	0.329	C	S	.	.	H	α-helix	trans	-61.8	-42.1	173.7	0	0	0	0	0	112.3	D24 A60 A66 A67 G68	D24-A64 HydrophobicContact CB-CB 3.78Å; A60-A64 WeakPolarHBondContact O-CB 3.39Å; A60-A64 PolarHBondContact O-N 2.88Å; A64-A66 PolarHBondContact O-N 2.9Å; A64-A67 WeakPolarHBondContact O-CB 3.38Å; A64-A67 PolarHBondContact O-N 3.36Å; A64-G68 PolarHBondContact O-N 2.96Å
65	K	98.3	Very high	96.2	Very high	90 Å²	90	52.9 Å²	52.9	39%	0.391	32%	0.316	S	S	.	.	H	α-helix	trans	-62.6	-40.9	175.2	177.5	-178.4	163.9	-155.4	0	112	P61 E62 Y63 G68 K69 A122	P61-K65 WeakPolarHBondContact O-CB 3.42Å; P61-K65 PolarHBondContact O-N 2.92Å; E62-K65 PolarHBondContact O-N 3.32Å; E62-K65 IonicContact OE1-NZ 2.69Å; E62-K65 PolarHBondContact OE1-NZ 2.84Å; E62-K65 VanDerWaalsContact OE1-NZ 3.09Å; E62-K65 IonicContact OE2-NZ 3.7Å; E62-K65 PolarHBondContact OE2-NZ 2.68Å; Y63-K65 PolarHBondContact O-N 3.42Å; K65-G68 PolarHBondContact O-N 3.47Å; K65-K69 WeakPolarHBondContact O-CG 3.37Å; K65-K69 PolarHBondContact O-N 3.37Å; K65-A122 HydrophobicContact CB-CB 4.02Å; K65-A122 HydrophobicContact CD-CB 3.77Å; K65-A122 HydrophobicContact CG-CB 3.75Å
66	A	98.2	Very high	96.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.9	-46.2	173.4	0	0	0	0	0	111.4	E62 Y63 A64 G68 K69 L70 L79 A122 I125 V126	E62-A66 WeakPolarHBondContact O-CB 3.17Å; E62-A66 PolarHBondContact O-N 2.68Å; Y63-A66 WeakPolarHBondContact O-CB 3.47Å; Y63-A66 PolarHBondContact O-N 2.88Å; A64-A66 PolarHBondContact O-N 2.9Å; A66-G68 VanDerWaalsContact C-N 3.34Å; A66-G68 PolarHBondContact O-N 2.98Å; A66-K69 PolarHBondContact O-N 2.97Å; A66-L70 WeakPolarHBondContact O-CG 3.43Å; A66-L70 PolarHBondContact O-N 3.27Å; A66-L79 HydrophobicContact CB-CD2 3.94Å; A66-A122 HydrophobicContact CB-CB 4.08Å; A66-I125 HydrophobicContact CB-CB 4.13Å; A66-I125 HydrophobicContact CB-CD1 4.42Å; A66-I125 HydrophobicContact CB-CG2 3.94Å; A66-V126 HydrophobicContact CB-CG2 4.03Å
67	A	98.2	Very high	96.4	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.033	32%	0.322	C	S	.	.	H	α-helix	trans	-59.9	-43.7	176.8	0	0	0	0	0	111.9	H25 V26 Y63 A64 L70 K71 L79	H25-A67 HydrophobicContact CB-CB 3.89Å; V26-A67 HydrophobicContact CG2-CB 3.97Å; Y63-A67 PolarHBondContact O-N 2.86Å; A64-A67 WeakPolarHBondContact O-CB 3.38Å; A64-A67 PolarHBondContact O-N 3.36Å; A67-L70 PolarHBondContact O-N 2.88Å; A67-K71 WeakPolarHBondContact O-CB 3.42Å; A67-K71 PolarHBondContact O-N 2.85Å; A67-L79 HydrophobicContact CB-CB 3.91Å; A67-L79 HydrophobicContact CB-CD2 4Å; A67-L79 HydrophobicContact CB-CG 4.46Å
68	G	97.8	Very high	96.6	Very high	19 Å²	19	49.8 Å²	49.8	20%	0.196	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-43.8	175.8	0	0	0	0	0	113.4	H25 A64 K65 A66 K71 A72	H25-G68 VanDerWaalsContact CD2-CA 3.48Å; H25-G68 WeakPolarHBondContact CD2-CA 3.25Å; A64-G68 PolarHBondContact O-N 2.96Å; K65-G68 PolarHBondContact O-N 3.47Å; A66-G68 VanDerWaalsContact C-N 3.34Å; A66-G68 PolarHBondContact O-N 2.98Å; G68-K71 PolarHBondContact O-N 2.81Å; G68-A72 WeakPolarHBondContact O-CB 3.41Å; G68-A72 PolarHBondContact O-N 3.14Å
69	K	97.7	Very high	96.7	Very high	61 Å²	61	46.6 Å²	46.6	27%	0.265	28%	0.275	S	S	.	.	H	α-helix	trans	-58.9	-49.7	174.6	-76.7	176.7	175.4	179.5	0	111.3	K65 A66 K71 A72 E73 D123 V126	K65-K69 WeakPolarHBondContact O-CG 3.37Å; K65-K69 PolarHBondContact O-N 3.37Å; A66-K69 PolarHBondContact O-N 2.97Å; K69-K71 VanDerWaalsContact C-N 3.34Å; K69-K71 PolarHBondContact O-N 3.43Å; K69-A72 PolarHBondContact O-N 3.39Å; K69-E73 WeakPolarHBondContact O-CG 3.37Å; K69-E73 PolarHBondContact O-N 3.3Å; K69-D123 IonicContact NZ-OD1 3.97Å; K69-D123 PolarHBondContact NZ-OD1 2.69Å; K69-D123 IonicContact NZ-OD2 3.9Å; K69-D123 PolarHBondContact NZ-OD2 2.8Å; K69-V126 HydrophobicContact CB-CG2 4.44Å
70	L	96.3	Very high	96.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-40.9	179.5	-72	168.3	0	0	0	112.2	A66 A67 E73 G74 S75 I77 L79 V126 L129	A66-L70 WeakPolarHBondContact O-CG 3.43Å; A66-L70 PolarHBondContact O-N 3.27Å; A67-L70 PolarHBondContact O-N 2.88Å; L70-E73 PolarHBondContact O-N 2.91Å; L70-G74 PolarHBondContact O-N 3.08Å; L70-S75 VanDerWaalsContact O-CB 3.24Å; L70-S75 WeakPolarHBondContact O-CB 3.4Å; L70-S75 PolarHBondContact O-N 2.79Å; L70-I77 HydrophobicContact CD1-CB 4.19Å; L70-I77 HydrophobicContact CD1-CG2 3.9Å; L70-I77 HydrophobicContact CD2-CB 4.35Å; L70-I77 HydrophobicContact CD2-CD1 4.15Å; L70-L79 HydrophobicContact CD1-CD1 3.54Å; L70-V126 HydrophobicContact CD1-CG2 4.48Å; L70-V126 HydrophobicContact CD2-CG1 4.2Å; L70-V126 HydrophobicContact CD2-CG2 4.45Å; L70-V126 HydrophobicContact CG-CG2 4.14Å; L70-L129 HydrophobicContact CD1-CD1 3.91Å
71	K	94.4	Very high	96.9	Very high	96 Å²	96	45.7 Å²	45.7	42%	0.417	26%	0.261	S	S	.	.	H	α-helix	trans	-63.8	-43.7	175.5	-169.3	175.5	-169.9	170.9	0	111.8	E22 H25 A67 G68 K69 E73 G74	E22-K71 IonicContact OE1-NZ 2.72Å; E22-K71 PolarHBondContact OE1-NZ 3.28Å; E22-K71 IonicContact OE2-NZ 2.69Å; H25-K71 HydrophobicContact CB-CD 4.25Å; A67-K71 WeakPolarHBondContact O-CB 3.42Å; A67-K71 PolarHBondContact O-N 2.85Å; G68-K71 PolarHBondContact O-N 2.81Å; K69-K71 VanDerWaalsContact C-N 3.34Å; K69-K71 PolarHBondContact O-N 3.43Å; K71-E73 VanDerWaalsContact C-N 3.28Å; K71-E73 PolarHBondContact O-N 3.26Å; K71-G74 PolarHBondContact O-N 3.36Å; K71-G74 VanDerWaalsContact O-N 3.07Å
72	A	95.9	Very high	96.9	Very high	94 Å²	94	41.9 Å²	41.9	78%	0.777	24%	0.237	S	C	*	.	H	α-helix	trans	-65.2	-30.6	179.3	0	0	0	0	0	113	G68 K69 G74	G68-A72 WeakPolarHBondContact O-CB 3.41Å; G68-A72 PolarHBondContact O-N 3.14Å; K69-A72 PolarHBondContact O-N 3.39Å; A72-G74 VanDerWaalsContact C-N 3.27Å; A72-G74 PolarHBondContact O-N 2.82Å
73	E	94.3	Very high	96.9	Very high	112 Å²	112	40.2 Å²	40.2	52%	0.523	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-7	174	-69.1	179.1	174.2	0	0	113.6	K69 L70 K71 S75 K130	K69-E73 WeakPolarHBondContact O-CG 3.37Å; K69-E73 PolarHBondContact O-N 3.3Å; L70-E73 PolarHBondContact O-N 2.91Å; K71-E73 VanDerWaalsContact C-N 3.28Å; K71-E73 PolarHBondContact O-N 3.26Å; E73-S75 VanDerWaalsContact C-N 3.31Å; E73-K130 IonicContact OE1-NZ 3.31Å; E73-K130 PolarHBondContact OE1-NZ 3.43Å; E73-K130 WeakPolarHBondContact OE2-CE 3.45Å; E73-K130 IonicContact OE2-NZ 2.66Å; E73-K130 PolarHBondContact OE2-NZ 3.25Å
74	G	93.2	Very high	96.8	Very high	66 Å²	66	40.3 Å²	40.3	68%	0.68	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	28.7	-174.9	0	0	0	0	0	113.3	L70 K71 A72	L70-G74 PolarHBondContact O-N 3.08Å; K71-G74 PolarHBondContact O-N 3.36Å; K71-G74 VanDerWaalsContact O-N 3.07Å; A72-G74 VanDerWaalsContact C-N 3.27Å; A72-G74 PolarHBondContact O-N 2.82Å
75	S	93.1	Very high	96.5	Very high	39 Å²	39	42.9 Å²	42.9	27%	0.273	25%	0.245	S	C	.	.			trans	-67.8	147.8	179.8	-169.7	0	0	0	0	112.2	L70 E73 I77	L70-S75 VanDerWaalsContact O-CB 3.24Å; L70-S75 WeakPolarHBondContact O-CB 3.4Å; L70-S75 PolarHBondContact O-N 2.79Å; E73-S75 VanDerWaalsContact C-N 3.31Å; S75-I77 PolarHBondContact O-N 3.12Å; S75-I77 WeakPolarHBondContact OG-CB 3.4Å; S75-I77 VanDerWaalsContact OG-CG1 3.31Å; S75-I77 WeakPolarHBondContact OG-CG1 3.46Å; S75-I77 PolarHBondContact OG-N 3.26Å
76	E	94.1	Very high	96.4	Very high	141 Å²	141	45 Å²	45	66%	0.659	26%	0.256	S	S	*	.	S	Bend	trans	-72.2	-12.6	168.5	-65.4	-176.4	94.7	0	0	112.6	Y43	Y43-E76 HydrophobicContact CD2-CB 4.36Å
77	I	97	Very high	96.3	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.036	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	131.4	-177	-52.4	169	0	0	0	109.8	Y43 L70 S75 L79 L129 T133	Y43-I77 HydrophobicContact CD2-CG1 4.15Å; L70-I77 HydrophobicContact CD1-CB 4.19Å; L70-I77 HydrophobicContact CD1-CG2 3.9Å; L70-I77 HydrophobicContact CD2-CB 4.35Å; L70-I77 HydrophobicContact CD2-CD1 4.15Å; S75-I77 PolarHBondContact O-N 3.12Å; S75-I77 WeakPolarHBondContact OG-CB 3.4Å; S75-I77 VanDerWaalsContact OG-CG1 3.31Å; S75-I77 WeakPolarHBondContact OG-CG1 3.46Å; S75-I77 PolarHBondContact OG-N 3.26Å; I77-L79 HydrophobicContact CG2-CD1 4.41Å; I77-L129 HydrophobicContact CD1-CB 4.1Å; I77-L129 HydrophobicContact CG2-CB 4.36Å; I77-L129 HydrophobicContact CG2-CD1 3.92Å; I77-L129 HydrophobicContact CG2-CD2 4.11Å; I77-L129 HydrophobicContact CG2-CG 4.37Å; I77-T133 HydrophobicContact CD1-CG2 3.87Å; I77-T133 WeakPolarHBondContact CD1-OG1 3.49Å; I77-T133 HydrophobicContact CG1-CG2 3.98Å
78	R	97.8	Very high	96.1	Very high	40 Å²	40	50 Å²	50	15%	0.151	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.2	178	-63.6	-70.1	-70.3	171.4	-2.1	110.7	E22 L27 Y43 L44 L45	E22-R78 IonicContact OE2-CZ 3.98Å; E22-R78 IonicContact OE2-NH1 2.85Å; E22-R78 IonicContact OE2-NH2 2.66Å; E22-R78 PolarHBondContact OE2-NH2 2.99Å; L27-R78 HydrophobicContact CD1-CB 4.47Å; Y43-R78 PolarHBondContact O-N 2.94Å; L44-R78 WeakPolarHBondContact CA-O 3.43Å; L44-R78 HydrophobicContact CD1-CB 3.77Å; L45-R78 PolarHBondContact N-O 3.38Å
79	L	98.4	Very high	95.9	Very high	2 Å²	2	53 Å²	53	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	143.9	175.6	-89.3	63.4	0	0	0	108.5	V26 L27 L45 Y63 A66 A67 L70 I77 I125 L129	V26-L79 WeakPolarHBondContact CA-O 3.5Å; L27-L79 PolarHBondContact N-O 2.95Å; L45-L79 HydrophobicContact CB-CD1 4.24Å; L45-L79 HydrophobicContact CB-CG 4.2Å; L45-L79 HydrophobicContact CD2-CG 4.33Å; L45-L79 CarbonylContact O-C 3.48Å; L45-L79 WeakPolarHBondContact O-CA 3.36Å; Y63-L79 HydrophobicContact CD1-CB 4.36Å; Y63-L79 HydrophobicContact CD1-CD2 3.95Å; Y63-L79 HydrophobicContact CD2-CD2 3.98Å; Y63-L79 HydrophobicContact CE1-CB 3.62Å; Y63-L79 HydrophobicContact CE1-CD2 3.77Å; Y63-L79 HydrophobicContact CE1-CG 3.85Å; Y63-L79 HydrophobicContact CE2-CD2 3.79Å; Y63-L79 HydrophobicContact CE2-CG 4.14Å; Y63-L79 HydrophobicContact CG-CD2 4.05Å; Y63-L79 WeakPolarHBondContact O-CD2 3.46Å; A66-L79 HydrophobicContact CB-CD2 3.94Å; A67-L79 HydrophobicContact CB-CB 3.91Å; A67-L79 HydrophobicContact CB-CD2 4Å; A67-L79 HydrophobicContact CB-CG 4.46Å; L70-L79 HydrophobicContact CD1-CD1 3.54Å; I77-L79 HydrophobicContact CG2-CD1 4.41Å; L79-I125 HydrophobicContact CD2-CG2 4.32Å; L79-L129 HydrophobicContact CD1-CD1 3.83Å
80	A	98.5	Very high	95.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.6	-175.4	0	0	0	0	0	110.5	L27 L29 L44 L45 V46 E47 Y63	L27-A80 HydrophobicContact CB-CB 3.95Å; L27-A80 CarbonylContact O-C 3.59Å; L27-A80 WeakPolarHBondContact O-CA 3.28Å; L29-A80 HydrophobicContact CD1-CB 3.52Å; L29-A80 HydrophobicContact CG-CB 3.84Å; L44-A80 HydrophobicContact CD1-CB 4.03Å; L44-A80 HydrophobicContact CG-CB 4.34Å; L45-A80 PolarHBondContact O-N 3.31Å; V46-A80 CarbonylContact C-O 3.55Å; V46-A80 WeakPolarHBondContact CA-O 3.08Å; V46-A80 HydrophobicContact CG2-CB 4.2Å; E47-A80 PolarHBondContact N-O 2.86Å; Y63-A80 PolarHBondContact OH-O 3.34Å; Y63-A80 VanDerWaalsContact OH-O 3.14Å
81	K	98.4	Very high	95.8	Very high	35 Å²	35	50.5 Å²	50.5	15%	0.152	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	147.3	176.4	65.7	-178	-178.4	169	0	111.6	E23 V26 L27 L29 E47 Y49	E23-K81 IonicContact OE2-NZ 2.67Å; E23-K81 PolarHBondContact OE2-NZ 2.96Å; V26-K81 HydrophobicContact CG1-CB 4.01Å; V26-K81 HydrophobicContact CG1-CD 4.07Å; V26-K81 HydrophobicContact CG1-CG 3.85Å; L27-K81 PolarHBondContact O-N 3.47Å; L29-K81 PolarHBondContact N-O 2.92Å; E47-K81 HydrophobicContact CB-CB 4.45Å; E47-K81 CarbonylContact O-C 3.55Å; E47-K81 VanDerWaalsContact O-CA 3.23Å; E47-K81 WeakPolarHBondContact O-CA 3.23Å; Y49-K81 HydrophobicContact CD1-CB 4Å; Y49-K81 HydrophobicContact CE1-CB 3.8Å; Y49-K81 HydrophobicContact CE1-CD 3.81Å; Y49-K81 HydrophobicContact CE1-CG 3.91Å
82	V	98.4	Very high	95.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.7	175.2	175	0	0	0	0	107.5	L29 F34 V46 E47 F48 Y49 A84 E87 L90	L29-V82 HydrophobicContact CB-CG2 3.83Å; F34-V82 HydrophobicContact CD2-CG2 4.12Å; F34-V82 HydrophobicContact CE2-CG2 4Å; V46-V82 HydrophobicContact CG1-CG2 3.8Å; E47-V82 PolarHBondContact O-N 3.36Å; F48-V82 WeakPolarHBondContact CA-O 3.29Å; F48-V82 HydrophobicContact CD1-CB 3.77Å; F48-V82 HydrophobicContact CD1-CG1 3.86Å; F48-V82 HydrophobicContact CD1-CG2 4.32Å; F48-V82 HydrophobicContact CE1-CB 4.03Å; F48-V82 HydrophobicContact CE1-CG1 4.07Å; F48-V82 HydrophobicContact CE1-CG2 4.1Å; F48-V82 HydrophobicContact CG-CB 4.46Å; Y49-V82 WeakPolarHBondContact CD1-O 3.23Å; Y49-V82 PolarHBondContact N-O 2.98Å; V82-A84 PolarHBondContact O-N 3.1Å; V82-E87 HydrophobicContact CG1-CB 3.8Å; V82-E87 HydrophobicContact CG1-CG 4.26Å; V82-L90 HydrophobicContact CG1-CD2 3.84Å; V82-L90 HydrophobicContact CG1-CG 4.45Å; V82-L90 HydrophobicContact CG2-CD2 3.98Å
83	D	97.8	Very high	95.8	Very high	17 Å²	17	54.5 Å²	54.5	9%	0.091	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	104.5	170.6	-166.8	-38.2	0	0	0	108.9	Y49 P51 T85 E86 E87	Y49-D83 HydrophobicContact CE1-CB 4.08Å; P51-D83 WeakPolarHBondContact CD-OD1 3.17Å; P51-D83 VanDerWaalsContact CD-OD2 3.31Å; P51-D83 WeakPolarHBondContact CD-OD2 3.09Å; P51-D83 WeakPolarHBondContact CG-OD2 3.46Å; D83-T85 PolarHBondContact O-N 2.95Å; D83-T85 WeakPolarHBondContact OD1-CB 3.47Å; D83-T85 PolarHBondContact OD1-N 3.15Å; D83-T85 PolarHBondContact OD1-OG1 2.86Å; D83-E86 PolarHBondContact O-N 3.2Å; D83-E87 WeakPolarHBondContact O-CB 3.45Å; D83-E87 PolarHBondContact O-N 2.98Å
84	A	95.9	Very high	95.9	Very high	5 Å²	5	50.3 Å²	50.3	4%	0.041	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-14.8	-176.5	0	0	0	0	0	113	Y49 V82 E86 S88 A91 Y99	Y49-A84 PolarHBondContact O-N 3.41Å; V82-A84 PolarHBondContact O-N 3.1Å; A84-E86 VanDerWaalsContact C-N 3.35Å; A84-S88 PolarHBondContact O-N 3.19Å; A84-A91 HydrophobicContact CB-CB 3.73Å; A84-Y99 HydrophobicContact CB-CD1 4.4Å; A84-Y99 HydrophobicContact CB-CE1 3.4Å; A84-Y99 VanDerWaalsContact CB-CE1 3.4Å
85	T	92.8	Very high	95.9	Very high	72 Å²	72	49.8 Å²	49.8	44%	0.442	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-23.7	176	72.4	0	0	0	0	112.6	A50 D83	A50-T85 HydrophobicContact CB-CG2 3.76Å; D83-T85 PolarHBondContact O-N 2.95Å; D83-T85 WeakPolarHBondContact OD1-CB 3.47Å; D83-T85 PolarHBondContact OD1-N 3.15Å; D83-T85 PolarHBondContact OD1-OG1 2.86Å
86	E	95.8	Very high	95.9	Very high	136 Å²	136	48.5 Å²	48.5	64%	0.636	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-27.4	174.2	-62.8	-174.2	-156.2	0	0	112	D83 A84	D83-E86 PolarHBondContact O-N 3.2Å; A84-E86 VanDerWaalsContact C-N 3.35Å
87	E	96.3	Very high	95.7	Very high	33 Å²	33	51.5 Å²	51.5	15%	0.154	26%	0.262	C	S	.	.			trans	-118.9	49.7	-172.3	-55.9	-69	166.4	0	0	112	R30 K31 V82 D83 D89 L90 A91	R30-E87 WeakPolarHBondContact CB-OE1 3.48Å; R30-E87 VanDerWaalsContact CG-OE1 3.24Å; R30-E87 WeakPolarHBondContact CG-OE1 3.43Å; K31-E87 WeakPolarHBondContact CB-OE2 3.45Å; K31-E87 PolarHBondContact N-OE2 3.05Å; V82-E87 HydrophobicContact CG1-CB 3.8Å; V82-E87 HydrophobicContact CG1-CG 4.26Å; D83-E87 WeakPolarHBondContact O-CB 3.45Å; D83-E87 PolarHBondContact O-N 2.98Å; E87-D89 PolarHBondContact O-N 3.31Å; E87-L90 HydrophobicContact CB-CB 4.24Å; E87-L90 WeakPolarHBondContact O-CB 3.22Å; E87-L90 PolarHBondContact O-N 2.66Å; E87-L90 VanDerWaalsContact O-N 3.11Å; E87-A91 PolarHBondContact O-N 2.67Å; E87-A91 VanDerWaalsContact O-N 3.07Å
88	S	93.5	Very high	95.4	Very high	74 Å²	74	52.8 Å²	52.8	52%	0.517	28%	0.277	S	S	.	.	H	α-helix	trans	-55.7	-46	-173.5	56.7	0	0	0	0	113.5	A84 L90 A91 Q92	A84-S88 PolarHBondContact O-N 3.19Å; S88-L90 PolarHBondContact O-N 2.76Å; S88-A91 PolarHBondContact O-N 3.29Å; S88-Q92 WeakPolarHBondContact O-CB 3.21Å; S88-Q92 PolarHBondContact O-N 3.38Å
89	D	95.4	Very high	95.2	Very high	84 Å²	84	54.2 Å²	54.2	45%	0.449	28%	0.283	S	S	.	.	H	α-helix	trans	-60	-37.7	179.6	-62.6	-7	0	0	0	111.7	K31 E87 Q93	K31-D89 HydrophobicContact CD-CB 4.2Å; K31-D89 IonicContact NZ-OD2 2.66Å; K31-D89 PolarHBondContact NZ-OD2 3.34Å; E87-D89 PolarHBondContact O-N 3.31Å; D89-Q93 VanDerWaalsContact O-CB 3.3Å; D89-Q93 WeakPolarHBondContact O-CB 3.43Å; D89-Q93 PolarHBondContact O-N 2.67Å
90	L	95.6	Very high	95.1	Very high	4 Å²	4	55 Å²	55	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-72	-40.7	-179.3	179.6	62.3	0	0	0	110.5	F34 F48 V82 E87 S88 Q93 Y94	F34-L90 HydrophobicContact CB-CD1 4.34Å; F34-L90 HydrophobicContact CB-CD2 4.08Å; F34-L90 HydrophobicContact CD1-CD1 3.87Å; F34-L90 HydrophobicContact CD2-CD1 4.26Å; F34-L90 HydrophobicContact CD2-CD2 3.67Å; F34-L90 HydrophobicContact CD2-CG 4.46Å; F34-L90 HydrophobicContact CE1-CD1 4.21Å; F34-L90 HydrophobicContact CE2-CD2 4.27Å; F34-L90 HydrophobicContact CG-CD1 3.9Å; F34-L90 HydrophobicContact CG-CD2 3.91Å; F48-L90 HydrophobicContact CE1-CG 4.36Å; V82-L90 HydrophobicContact CG1-CD2 3.84Å; V82-L90 HydrophobicContact CG1-CG 4.45Å; V82-L90 HydrophobicContact CG2-CD2 3.98Å; E87-L90 HydrophobicContact CB-CB 4.24Å; E87-L90 WeakPolarHBondContact O-CB 3.22Å; E87-L90 PolarHBondContact O-N 2.66Å; E87-L90 VanDerWaalsContact O-N 3.11Å; S88-L90 PolarHBondContact O-N 2.76Å; L90-Q93 PolarHBondContact O-N 3.4Å; L90-Y94 HydrophobicContact CD1-CD2 4.21Å; L90-Y94 HydrophobicContact CD1-CE2 3.78Å; L90-Y94 VanDerWaalsContact O-CD2 3.32Å; L90-Y94 WeakPolarHBondContact O-CD2 3.16Å
91	A	95.8	Very high	95	Very high	4 Å²	4	55.8 Å²	55.8	3%	0.033	29%	0.294	C	S	.	.	H	α-helix	trans	-63.5	-45	173.7	0	0	0	0	0	111.3	F48 A84 E87 S88 Q93 Y94 G95 V96	F48-A91 HydrophobicContact CD1-CB 4.32Å; A84-A91 HydrophobicContact CB-CB 3.73Å; E87-A91 PolarHBondContact O-N 2.67Å; E87-A91 VanDerWaalsContact O-N 3.07Å; S88-A91 PolarHBondContact O-N 3.29Å; A91-Q93 PolarHBondContact O-N 3Å; A91-Y94 CarbonylContact O-C 3.55Å; A91-Y94 PolarHBondContact O-N 3.36Å; A91-G95 PolarHBondContact O-N 3.36Å; A91-V96 HydrophobicContact CB-CB 4.05Å; A91-V96 HydrophobicContact CB-CG2 4.4Å; A91-V96 WeakPolarHBondContact O-CB 3.36Å; A91-V96 WeakPolarHBondContact O-CG2 3.42Å; A91-V96 PolarHBondContact O-N 2.69Å
92	Q	94.6	Very high	95	Very high	150 Å²	150	54.5 Å²	54.5	70%	0.701	29%	0.288	S	S	*	.	H	α-helix	trans	-62.7	-40.7	177.2	-171.1	-178.7	15.6	0	0	111.9	S88 Y94 G95	S88-Q92 WeakPolarHBondContact O-CB 3.21Å; S88-Q92 PolarHBondContact O-N 3.38Å; Q92-Y94 PolarHBondContact O-N 3.43Å; Q92-Y94 VanDerWaalsContact O-N 3.11Å; Q92-G95 PolarHBondContact O-N 3.01Å
93	Q	95.5	Very high	95	Very high	124 Å²	124	55.6 Å²	55.6	58%	0.579	29%	0.293	S	S	*	.	H	α-helix	trans	-55.3	-30.9	176.5	-179.1	-177.9	-21.1	0	0	112.8	D89 L90 A91	D89-Q93 VanDerWaalsContact O-CB 3.3Å; D89-Q93 WeakPolarHBondContact O-CB 3.43Å; D89-Q93 PolarHBondContact O-N 2.67Å; L90-Q93 PolarHBondContact O-N 3.4Å; A91-Q93 PolarHBondContact O-N 3Å
94	Y	95.4	Very high	95	Very high	24 Å²	24	55.1 Å²	55.1	9%	0.094	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	13.9	177.3	-67.5	-69.9	0	0	0	113.5	F34 F48 L90 A91 Q92 V96 K103 F105 T110 P113	F34-Y94 HydrophobicContact CD1-CE2 4.3Å; F34-Y94 AromaticContact CE1-CE2 3.48Å; F34-Y94 HydrophobicContact CE1-CE2 3.48Å; F34-Y94 VanDerWaalsContact CE1-CE2 3.48Å; F34-Y94 AromaticContact CE1-CZ 3.72Å; F34-Y94 WeakPolarHBondContact CE1-OH 3.29Å; F34-Y94 AromaticContact CZ-CE2 3.83Å; F34-Y94 HydrophobicContact CZ-CE2 3.83Å; F48-Y94 HydrophobicContact CE1-CD2 4.25Å; F48-Y94 AromaticContact CZ-CD2 3.78Å; F48-Y94 HydrophobicContact CZ-CD2 3.78Å; F48-Y94 HydrophobicContact CZ-CG 4.25Å; L90-Y94 HydrophobicContact CD1-CD2 4.21Å; L90-Y94 HydrophobicContact CD1-CE2 3.78Å; L90-Y94 VanDerWaalsContact O-CD2 3.32Å; L90-Y94 WeakPolarHBondContact O-CD2 3.16Å; A91-Y94 CarbonylContact O-C 3.55Å; A91-Y94 PolarHBondContact O-N 3.36Å; Q92-Y94 PolarHBondContact O-N 3.43Å; Q92-Y94 VanDerWaalsContact O-N 3.11Å; Y94-V96 VanDerWaalsContact C-N 3.3Å; Y94-V96 PolarHBondContact O-N 2.94Å; Y94-K103 WeakPolarHBondContact O-CE 3.46Å; Y94-F105 HydrophobicContact CD1-CE1 4.26Å; Y94-F105 HydrophobicContact CD1-CZ 4.13Å; Y94-F105 AromaticContact CE1-CE1 3.63Å; Y94-F105 HydrophobicContact CE1-CE1 3.63Å; Y94-F105 AromaticContact CE1-CZ 3.88Å; Y94-F105 HydrophobicContact CE1-CZ 3.88Å; Y94-F105 HydrophobicContact CE2-CZ 4.39Å; Y94-F105 AromaticContact CZ-CE1 3.85Å; Y94-T110 VanDerWaalsContact OH-CG2 3.25Å; Y94-T110 WeakPolarHBondContact OH-CG2 3.19Å; Y94-P113 HydrophobicContact CD1-CG 4.22Å; Y94-P113 HydrophobicContact CE1-CG 4.49Å
95	G	93.6	Very high	95	Very high	54 Å²	54	54.9 Å²	54.9	56%	0.557	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	30.8	176.4	0	0	0	0	0	113.9	A91 Q92 R97	A91-G95 PolarHBondContact O-N 3.36Å; Q92-G95 PolarHBondContact O-N 3.01Å; G95-R97 PolarHBondContact O-N 2.81Å
96	V	93.7	Very high	95	Very high	13 Å²	13	53.3 Å²	53.3	8%	0.079	27%	0.274	C	S	.	.			trans	-72.8	112.3	178.9	178.5	0	0	0	0	109.4	F48 A91 Y94 Y99 T101	F48-V96 HydrophobicContact CB-CG1 3.99Å; F48-V96 HydrophobicContact CB-CG2 3.93Å; F48-V96 HydrophobicContact CD1-CG2 3.93Å; F48-V96 HydrophobicContact CD2-CG2 3.96Å; F48-V96 HydrophobicContact CE1-CG2 4.42Å; F48-V96 HydrophobicContact CE2-CG2 4.46Å; F48-V96 HydrophobicContact CG-CG2 3.67Å; A91-V96 HydrophobicContact CB-CB 4.05Å; A91-V96 HydrophobicContact CB-CG2 4.4Å; A91-V96 WeakPolarHBondContact O-CB 3.36Å; A91-V96 WeakPolarHBondContact O-CG2 3.42Å; A91-V96 PolarHBondContact O-N 2.69Å; Y94-V96 VanDerWaalsContact C-N 3.3Å; Y94-V96 PolarHBondContact O-N 2.94Å; V96-Y99 HydrophobicContact CG1-CD1 4.2Å; V96-Y99 HydrophobicContact CG1-CE1 3.84Å; V96-T101 HydrophobicContact CG1-CG2 4.41Å; V96-T101 HydrophobicContact CG2-CG2 3.88Å
97	R	90.2	Very high	94.7	Very high	203 Å²	203	51.7 Å²	51.7	77%	0.766	27%	0.27	S	S	*	.			trans	-115.2	0.4	178	-64.6	-167.5	178.2	-143.5	3.8	114.2	G95 E492	G95-R97 PolarHBondContact O-N 2.81Å; R97-E492 IonicContact CZ-OE1 2.78Å; R97-E492 IonicContact NH1-OE1 3.45Å; R97-E492 PolarHBondContact NH1-OE1 3.02Å; R97-E492 IonicContact NH1-OE2 3.67Å; R97-E492 PolarHBondContact NH1-OE2 2.87Å; R97-E492 IonicContact NH2-OE1 2.76Å
98	G	90	Very high	94.5	Very high	34 Å²	34	51.1 Å²	51.1	35%	0.351	27%	0.273	S	S	.	.	S	Bend	trans	-157.8	163.9	-178.9	0	0	0	0	0	111.8	T101	G98-T101 PolarHBondContact O-OG1 3.28Å
99	Y	93.1	Very high	94.3	Very high	70 Å²	70	50.7 Å²	50.7	28%	0.275	27%	0.265	S	S	.	.	S	Bend	trans	-128.9	139	-172.5	-50.2	-64.6	0	0	0	113.1	A50 W52 C53 A84 V96	A50-Y99 HydrophobicContact CB-CD1 4.47Å; A50-Y99 HydrophobicContact CB-CD2 3.72Å; A50-Y99 HydrophobicContact CB-CE2 3.92Å; A50-Y99 HydrophobicContact CB-CG 4.02Å; W52-Y99 HydrophobicContact CH2-CD2 4.04Å; W52-Y99 HydrophobicContact CH2-CE2 4.1Å; W52-Y99 HydrophobicContact CZ2-CD2 4.3Å; W52-Y99 HydrophobicContact CZ2-CE2 4.05Å; C53-Y99 PolarHBondContact SG-O 2.87Å; A84-Y99 HydrophobicContact CB-CD1 4.4Å; A84-Y99 HydrophobicContact CB-CE1 3.4Å; A84-Y99 VanDerWaalsContact CB-CE1 3.4Å; V96-Y99 HydrophobicContact CG1-CD1 4.2Å; V96-Y99 HydrophobicContact CG1-CE1 3.84Å
100	P	96.6	Very high	94.2	Very high	18 Å²	18	50 Å²	50	12%	0.117	26%	0.264	C	S	.	.	S	Bend	cis	-74.7	143.2	-10	30.5	-33.1	0	0	0	111.4	E47 F48 L59 I102	E47-P100 HydrophobicContact CG-CB 4.15Å; F48-P100 WeakPolarHBondContact O-CA 3.37Å; L59-P100 HydrophobicContact CD2-CB 4.17Å; L59-P100 HydrophobicContact CD2-CG 3.89Å; P100-I102 HydrophobicContact CB-CG1 4.35Å
101	T	97.6	Very high	93.9	Very high	18 Å²	18	54.1 Å²	54.1	11%	0.11	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.6	162.8	-78	0	0	0	0	107.7	F48 V96 G98 K103 E115	F48-T101 HydrophobicContact CD2-CG2 4.49Å; F48-T101 PolarHBondContact N-O 3.11Å; F48-T101 PolarHBondContact O-N 3.42Å; F48-T101 VanDerWaalsContact O-N 3.07Å; V96-T101 HydrophobicContact CG1-CG2 4.41Å; V96-T101 HydrophobicContact CG2-CG2 3.88Å; G98-T101 PolarHBondContact O-OG1 3.28Å; T101-K103 HydrophobicContact CG2-CD 4.46Å; T101-K103 HydrophobicContact CG2-CG 4.17Å; T101-E115 WeakPolarHBondContact CG2-OE1 3.41Å
102	I	98.4	Very high	93.5	Very high	8 Å²	8	57.2 Å²	57.2	4%	0.041	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.9	-174.2	-54.6	173	0	0	0	108.4	L45 V46 E47 L59 P100 Y116	L45-I102 HydrophobicContact CD1-CG2 3.66Å; L45-I102 HydrophobicContact CD2-CG2 4.03Å; L45-I102 HydrophobicContact CG-CG2 3.73Å; V46-I102 CarbonylContact O-C 3.58Å; V46-I102 WeakPolarHBondContact O-CA 3.3Å; E47-I102 HydrophobicContact CB-CG1 4.37Å; E47-I102 HydrophobicContact CG-CG1 4.2Å; L59-I102 HydrophobicContact CD2-CD1 3.59Å; P100-I102 HydrophobicContact CB-CG1 4.35Å; I102-Y116 HydrophobicContact CB-CD1 4.39Å; I102-Y116 HydrophobicContact CB-CG 4.47Å; I102-Y116 HydrophobicContact CD1-CD1 4.01Å; I102-Y116 HydrophobicContact CG2-CD1 4.39Å; I102-Y116 HydrophobicContact CG2-CG 4.19Å; I102-Y116 PolarHBondContact O-N 2.9Å
103	K	97.8	Very high	93.4	Very high	23 Å²	23	51.6 Å²	51.6	10%	0.1	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.3	-177.3	-68	-173.7	-171.5	-71.9	0	111.1	V46 F48 Y94 T101 F105 P113 K114 E115	V46-K103 PolarHBondContact N-O 3.1Å; V46-K103 PolarHBondContact O-N 3.35Å; F48-K103 HydrophobicContact CE2-CB 4.37Å; F48-K103 HydrophobicContact CE2-CD 4.37Å; Y94-K103 WeakPolarHBondContact O-CE 3.46Å; T101-K103 HydrophobicContact CG2-CD 4.46Å; T101-K103 HydrophobicContact CG2-CG 4.17Å; K103-F105 HydrophobicContact CB-CE2 3.82Å; K103-F105 HydrophobicContact CB-CZ 4.28Å; K103-P113 HydrophobicContact CB-CB 4.17Å; K103-P113 HydrophobicContact CD-CB 4.24Å; K103-P113 HydrophobicContact CD-CG 4.26Å; K103-K114 CarbonylContact C-O 3.57Å; K103-K114 WeakPolarHBondContact CA-O 3.33Å; K103-E115 IonicContact NZ-OE2 2.89Å; K103-E115 PolarHBondContact NZ-OE2 3.21Å
104	F	97.3	Very high	93.2	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.7	175.6	177.5	-110.3	0	0	0	110.4	Y43 L45 R106 P113 K114 W128 L129 T133	Y43-F104 AromaticContact CD1-CZ 3.9Å; Y43-F104 HydrophobicContact CD1-CZ 3.9Å; Y43-F104 HydrophobicContact CG-CZ 4.34Å; L45-F104 HydrophobicContact CB-CD2 4.48Å; L45-F104 HydrophobicContact CD1-CB 3.73Å; L45-F104 HydrophobicContact CD1-CD2 4.27Å; L45-F104 HydrophobicContact CD1-CG 4.49Å; F104-R106 HydrophobicContact CE1-CB 4.06Å; F104-P113 WeakPolarHBondContact O-CA 3.4Å; F104-K114 HydrophobicContact CB-CB 4.39Å; F104-K114 PolarHBondContact N-O 2.83Å; F104-K114 PolarHBondContact O-N 3.21Å; F104-W128 HydrophobicContact CB-CH2 3.73Å; F104-W128 HydrophobicContact CB-CZ3 3.78Å; F104-W128 HydrophobicContact CD1-CH2 4.44Å; F104-W128 HydrophobicContact CD1-CZ3 4.34Å; F104-W128 HydrophobicContact CD2-CZ3 4.4Å; F104-W128 HydrophobicContact CG-CH2 4.2Å; F104-W128 AromaticContact CG-CZ3 3.92Å; F104-W128 HydrophobicContact CG-CZ3 3.92Å; F104-L129 HydrophobicContact CD2-CD2 3.67Å; F104-L129 HydrophobicContact CE2-CD2 3.82Å; F104-T133 HydrophobicContact CE2-CG2 4.28Å; F104-T133 HydrophobicContact CZ-CG2 3.81Å
105	F	96.5	Very high	93.2	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.3	177.6	-63.4	-98.1	0	0	0	109.7	F34 L38 L44 V46 Y94 K103 D109 P113	F34-F105 HydrophobicContact CE1-CZ 4.38Å; F34-F105 HydrophobicContact CZ-CE1 4.41Å; F34-F105 HydrophobicContact CZ-CE2 4.12Å; F34-F105 AromaticContact CZ-CZ 3.88Å; F34-F105 HydrophobicContact CZ-CZ 3.88Å; L38-F105 HydrophobicContact CD1-CD1 4.25Å; L38-F105 HydrophobicContact CD1-CE1 4.47Å; L38-F105 HydrophobicContact CD2-CB 3.35Å; L38-F105 HydrophobicContact CD2-CD1 3.6Å; L38-F105 HydrophobicContact CD2-CD2 4.1Å; L38-F105 HydrophobicContact CD2-CE1 4.39Å; L38-F105 HydrophobicContact CD2-CG 3.41Å; L38-F105 VanDerWaalsContact CD2-CG 3.41Å; L44-F105 PolarHBondContact N-O 3.08Å; L44-F105 PolarHBondContact O-N 3.37Å; V46-F105 HydrophobicContact CB-CD2 4.3Å; V46-F105 HydrophobicContact CB-CE2 3.94Å; V46-F105 HydrophobicContact CG2-CD2 3.68Å; V46-F105 HydrophobicContact CG2-CE2 3.69Å; Y94-F105 HydrophobicContact CD1-CE1 4.26Å; Y94-F105 HydrophobicContact CD1-CZ 4.13Å; Y94-F105 AromaticContact CE1-CE1 3.63Å; Y94-F105 HydrophobicContact CE1-CE1 3.63Å; Y94-F105 AromaticContact CE1-CZ 3.88Å; Y94-F105 HydrophobicContact CE1-CZ 3.88Å; Y94-F105 HydrophobicContact CE2-CZ 4.39Å; Y94-F105 AromaticContact CZ-CE1 3.85Å; K103-F105 HydrophobicContact CB-CE2 3.82Å; K103-F105 HydrophobicContact CB-CZ 4.28Å; F105-D109 WeakPolarHBondContact CD1-O 3.38Å; F105-P113 HydrophobicContact CD1-CB 4.01Å; F105-P113 HydrophobicContact CE1-CB 3.69Å; F105-P113 HydrophobicContact CE1-CG 4.21Å; F105-P113 HydrophobicContact CE2-CB 4.39Å; F105-P113 HydrophobicContact CG-CB 4.5Å; F105-P113 HydrophobicContact CZ-CB 3.89Å; F105-P113 HydrophobicContact CZ-CG 4.49Å
106	R	92	Very high	93.2	Very high	38 Å²	38	49.7 Å²	49.7	14%	0.143	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.2	178.7	-169.3	-178.1	-169.9	98.7	-2.1	109	K42 Y43 F104 G108 D109 R132 E177	K42-R106 CarbonylContact O-C 3.46Å; K42-R106 WeakPolarHBondContact O-CA 3.31Å; Y43-R106 HydrophobicContact CD1-CG 4.15Å; Y43-R106 HydrophobicContact CE1-CG 4.04Å; F104-R106 HydrophobicContact CE1-CB 4.06Å; R106-G108 PolarHBondContact O-N 3.08Å; R106-G108 VanDerWaalsContact O-N 3.08Å; R106-D109 WeakPolarHBondContact O-CB 3.3Å; R106-D109 PolarHBondContact O-N 2.85Å; R106-R132 PolarHBondContact NH1-O 3.26Å; R106-E177 IonicContact CZ-OE1 2.79Å; R106-E177 IonicContact CZ-OE2 2.69Å; R106-E177 VanDerWaalsContact NE-CD 3.28Å; R106-E177 IonicContact NE-OE1 3.68Å; R106-E177 IonicContact NE-OE2 2.78Å; R106-E177 PolarHBondContact NE-OE2 3.45Å; R106-E177 IonicContact NH2-OE1 2.68Å; R106-E177 PolarHBondContact NH2-OE1 2.85Å; R106-E177 IonicContact NH2-OE2 3.84Å
107	N	90.8	Very high	93.1	Very high	102 Å²	102	54.8 Å²	54.8	55%	0.545	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	28.9	176.6	-72.9	67.7	0	0	0	114.2	K42 D109	K42-N107 WeakPolarHBondContact CE-OD1 3.33Å; K42-N107 WeakPolarHBondContact CG-OD1 3.49Å; K42-N107 PolarHBondContact O-N 3.35Å; N107-D109 PolarHBondContact O-N 2.81Å
108	G	91.8	Very high	93.2	Very high	22 Å²	22	47.1 Å²	47.1	23%	0.227	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	12.1	-176.3	0	0	0	0	0	115	L38 R106 T110	L38-G108 WeakPolarHBondContact O-CA 3.3Å; R106-G108 PolarHBondContact O-N 3.08Å; R106-G108 VanDerWaalsContact O-N 3.08Å; G108-T110 PolarHBondContact O-N 2.81Å
109	D	88.9	Confident	93.3	Very high	65 Å²	65	47 Å²	47	35%	0.348	28%	0.283	S	S	.	.			trans	-68	114.5	176.2	178.2	25.9	0	0	0	110.8	F105 R106 N107 A111 S112	F105-D109 WeakPolarHBondContact CD1-O 3.38Å; R106-D109 WeakPolarHBondContact O-CB 3.3Å; R106-D109 PolarHBondContact O-N 2.85Å; N107-D109 PolarHBondContact O-N 2.81Å; D109-A111 WeakPolarHBondContact OD1-CB 3.38Å; D109-A111 PolarHBondContact OD1-N 2.96Å; D109-S112 WeakPolarHBondContact OD2-CB 3.37Å; D109-S112 PolarHBondContact OD2-N 2.94Å; D109-S112 PolarHBondContact OD2-OG 3.19Å
110	T	93.6	Very high	93.3	Very high	70 Å²	70	49.5 Å²	49.5	43%	0.429	29%	0.292	S	S	.	.	S	Bend	trans	-90.1	-11.8	177.5	56.4	0	0	0	0	113.4	L38 Y94 G108	L38-T110 HydrophobicContact CD1-CG2 3.52Å; Y94-T110 VanDerWaalsContact OH-CG2 3.25Å; Y94-T110 WeakPolarHBondContact OH-CG2 3.19Å; G108-T110 PolarHBondContact O-N 2.81Å
111	A	89.5	Confident	93.3	Very high	90 Å²	90	54.7 Å²	54.7	74%	0.744	31%	0.314	S	S	*	.	S	Bend	trans	-83	-28.9	-175.9	0	0	0	0	0	112.6	D109 P113	D109-A111 WeakPolarHBondContact OD1-CB 3.38Å; D109-A111 PolarHBondContact OD1-N 2.96Å; A111-P113 VanDerWaalsContact C-CD 3.44Å
112	S	85.7	Confident	93.3	Very high	69 Å²	69	53.9 Å²	53.9	48%	0.483	31%	0.309	S	S	.	.	S	Bend	trans	-129.2	49.5	-176.7	74.7	0	0	0	0	115.5	D109 K114	D109-S112 WeakPolarHBondContact OD2-CB 3.37Å; D109-S112 PolarHBondContact OD2-N 2.94Å; D109-S112 PolarHBondContact OD2-OG 3.19Å; S112-K114 PolarHBondContact O-N 3.46Å
113	P	93.7	Very high	93.2	Very high	32 Å²	32	57.3 Å²	57.3	21%	0.208	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-61.7	136.4	175.8	27.6	-33.7	0	0	0	111.2	Y94 K103 F104 F105 A111	Y94-P113 HydrophobicContact CD1-CG 4.22Å; Y94-P113 HydrophobicContact CE1-CG 4.49Å; K103-P113 HydrophobicContact CB-CB 4.17Å; K103-P113 HydrophobicContact CD-CB 4.24Å; K103-P113 HydrophobicContact CD-CG 4.26Å; F104-P113 WeakPolarHBondContact O-CA 3.4Å; F105-P113 HydrophobicContact CD1-CB 4.01Å; F105-P113 HydrophobicContact CE1-CB 3.69Å; F105-P113 HydrophobicContact CE1-CG 4.21Å; F105-P113 HydrophobicContact CE2-CB 4.39Å; F105-P113 HydrophobicContact CG-CB 4.5Å; F105-P113 HydrophobicContact CZ-CB 3.89Å; F105-P113 HydrophobicContact CZ-CG 4.49Å; A111-P113 VanDerWaalsContact C-CD 3.44Å
114	K	91.8	Very high	93.1	Very high	63 Å²	63	58.9 Å²	58.9	27%	0.274	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.9	-179.1	-59.2	-65.4	-177	143.9	0	110.3	K103 F104 S112 W128 A178 D180	K103-K114 CarbonylContact C-O 3.57Å; K103-K114 WeakPolarHBondContact CA-O 3.33Å; F104-K114 HydrophobicContact CB-CB 4.39Å; F104-K114 PolarHBondContact N-O 2.83Å; F104-K114 PolarHBondContact O-N 3.21Å; S112-K114 PolarHBondContact O-N 3.46Å; K114-W128 HydrophobicContact CB-CH2 4.49Å; K114-A178 PolarHBondContact NZ-O 2.79Å; K114-D180 WeakPolarHBondContact CD-OD2 3.32Å; K114-D180 WeakPolarHBondContact CE-OD2 3.38Å; K114-D180 IonicContact NZ-OD2 2.69Å; K114-D180 PolarHBondContact NZ-OD2 2.87Å
115	E	93.8	Very high	93.1	Very high	85 Å²	85	58.7 Å²	58.7	40%	0.397	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	133.9	173.9	-163.3	86.1	-149.2	0	0	110.4	T101 K103 T117	T101-E115 WeakPolarHBondContact CG2-OE1 3.41Å; K103-E115 IonicContact NZ-OE2 2.89Å; K103-E115 PolarHBondContact NZ-OE2 3.21Å; E115-T117 HydrophobicContact CB-CG2 4.4Å; E115-T117 HydrophobicContact CG-CG2 3.73Å
116	Y	95.2	Very high	93.1	Very high	13 Å²	13	58.9 Å²	58.9	5%	0.051	34%	0.337	C	S	.	.			trans	-95.3	110.7	170.9	176.9	-81.8	0	0	0	109.5	I102 A118 G119 I125 W128	I102-Y116 HydrophobicContact CB-CD1 4.39Å; I102-Y116 HydrophobicContact CB-CG 4.47Å; I102-Y116 HydrophobicContact CD1-CD1 4.01Å; I102-Y116 HydrophobicContact CG2-CD1 4.39Å; I102-Y116 HydrophobicContact CG2-CG 4.19Å; I102-Y116 PolarHBondContact O-N 2.9Å; Y116-A118 HydrophobicContact CE1-CB 4.23Å; Y116-A118 HydrophobicContact CE2-CB 3.97Å; Y116-G119 VanDerWaalsContact CE1-O 3.31Å; Y116-G119 WeakPolarHBondContact CE1-O 3.43Å; Y116-G119 VanDerWaalsContact CZ-O 3.31Å; Y116-G119 PolarHBondContact OH-O 2.89Å; Y116-I125 HydrophobicContact CE1-CG1 4.27Å; Y116-I125 HydrophobicContact CE2-CG1 4.36Å; Y116-I125 WeakPolarHBondContact OH-CA 3.18Å; Y116-I125 VanDerWaalsContact OH-CG1 3.32Å; Y116-I125 WeakPolarHBondContact OH-CG1 3.41Å; Y116-I125 PolarHBondContact OH-N 3.43Å; Y116-W128 HydrophobicContact CD2-CB 4.43Å; Y116-W128 AromaticContact CD2-CD2 3.46Å; Y116-W128 HydrophobicContact CD2-CD2 3.46Å; Y116-W128 VanDerWaalsContact CD2-CD2 3.46Å; Y116-W128 AromaticContact CD2-CE2 3.65Å; Y116-W128 AromaticContact CD2-CE3 3.71Å; Y116-W128 HydrophobicContact CD2-CE3 3.71Å; Y116-W128 AromaticContact CD2-CG 3.82Å; Y116-W128 HydrophobicContact CD2-CG 3.82Å; Y116-W128 HydrophobicContact CD2-CH2 4.35Å; Y116-W128 HydrophobicContact CD2-CZ2 4.11Å; Y116-W128 HydrophobicContact CD2-CZ3 4.16Å; Y116-W128 HydrophobicContact CE2-CB 3.72Å; Y116-W128 AromaticContact CE2-CD1 3.94Å; Y116-W128 AromaticContact CE2-CD2 3.7Å; Y116-W128 HydrophobicContact CE2-CD2 3.7Å; Y116-W128 HydrophobicContact CE2-CE3 4.12Å; Y116-W128 AromaticContact CE2-CG 3.54Å; Y116-W128 HydrophobicContact CE2-CG 3.54Å
117	T	90.9	Very high	93.2	Very high	120 Å²	120	61.8 Å²	61.8	74%	0.736	36%	0.356	S	S	*	.			trans	-119.2	11	-179.3	57.8	0	0	0	0	113.1	E115	E115-T117 HydrophobicContact CB-CG2 4.4Å; E115-T117 HydrophobicContact CG-CG2 3.73Å
118	A	91.6	Very high	93.3	Very high	43 Å²	43	58.2 Å²	58.2	36%	0.355	34%	0.335	S	S	.	.	S	Bend	trans	-80.8	-168.9	-179.7	0	0	0	0	0	112.2	Y116 W128	Y116-A118 HydrophobicContact CE1-CB 4.23Å; Y116-A118 HydrophobicContact CE2-CB 3.97Å; A118-W128 HydrophobicContact CB-CG 4.34Å
119	G	92	Very high	93.5	Very high	31 Å²	31	57.1 Å²	57.1	32%	0.32	32%	0.324	S	S	.	.			trans	-58.5	158.1	-177.5	0	0	0	0	0	114	Y116 D124	Y116-G119 VanDerWaalsContact CE1-O 3.31Å; Y116-G119 WeakPolarHBondContact CE1-O 3.43Å; Y116-G119 VanDerWaalsContact CZ-O 3.31Å; Y116-G119 PolarHBondContact OH-O 2.89Å; G119-D124 WeakPolarHBondContact CA-OD2 3.43Å
120	R	93.8	Very high	93.5	Very high	123 Å²	123	58 Å²	58	46%	0.464	32%	0.324	S	S	.	.	S	Bend	trans	-99.8	7	-175.3	-69.1	-174.8	174.9	179.2	-1.6	113.7	H55 L59 E62	H55-R120 PolarHBondContact ND1-NH1 3.47Å; L59-R120 HydrophobicContact CD1-CB 4.09Å; L59-R120 HydrophobicContact CD1-CG 4.42Å; E62-R120 WeakPolarHBondContact CB-O 3.41Å
121	E	96.8	Very high	93.3	Very high	127 Å²	127	62.5 Å²	62.5	59%	0.593	34%	0.338	S	S	*	.	S	Bend	trans	-85.9	152.3	175.8	-56.5	-175.3	122.3	0	0	110.8	D123 D124 I125	E121-D123 PolarHBondContact O-N 3.31Å; E121-D124 PolarHBondContact O-N 3.46Å; E121-D124 VanDerWaalsContact O-N 3.13Å; E121-I125 PolarHBondContact O-N 3.44Å
122	A	96.9	Very high	93.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-57.9	-35.8	-177.5	0	0	0	0	0	113.1	E62 K65 A66 V126	E62-A122 HydrophobicContact CB-CB 4.45Å; E62-A122 WeakPolarHBondContact O-CB 3.39Å; E62-A122 WeakPolarHBondContact OE2-CB 3.36Å; E62-A122 PolarHBondContact OE2-N 3.06Å; K65-A122 HydrophobicContact CB-CB 4.02Å; K65-A122 HydrophobicContact CD-CB 3.77Å; K65-A122 HydrophobicContact CG-CB 3.75Å; A66-A122 HydrophobicContact CB-CB 4.08Å; A122-V126 VanDerWaalsContact O-CG2 3.25Å; A122-V126 WeakPolarHBondContact O-CG2 3.48Å; A122-V126 PolarHBondContact O-N 2.6Å; A122-V126 VanDerWaalsContact O-N 3.1Å
123	D	96.2	Very high	93.4	Very high	80 Å²	80	59 Å²	59	43%	0.428	30%	0.298	S	S	.	.	H	α-helix	trans	-70.9	-35.5	179.9	-72.9	-57.1	0	0	0	112.3	K69 E121 V126 N127	K69-D123 IonicContact NZ-OD1 3.97Å; K69-D123 PolarHBondContact NZ-OD1 2.69Å; K69-D123 IonicContact NZ-OD2 3.9Å; K69-D123 PolarHBondContact NZ-OD2 2.8Å; E121-D123 PolarHBondContact O-N 3.31Å; D123-V126 PolarHBondContact O-N 2.94Å; D123-N127 VanDerWaalsContact O-CB 3.28Å; D123-N127 WeakPolarHBondContact O-CB 3.24Å; D123-N127 PolarHBondContact O-N 3.37Å; D123-N127 PolarHBondContact O-ND2 3.1Å
124	D	95.4	Very high	92.9	Very high	57 Å²	57	58.8 Å²	58.8	31%	0.305	30%	0.301	S	S	.	.	H	α-helix	trans	-63.6	-46	174.6	-62.6	-39.8	0	0	0	111.2	G119 E121 V126 N127 W128	G119-D124 WeakPolarHBondContact CA-OD2 3.43Å; E121-D124 PolarHBondContact O-N 3.46Å; E121-D124 VanDerWaalsContact O-N 3.13Å; D124-V126 PolarHBondContact O-N 3.08Å; D124-N127 PolarHBondContact O-N 3.11Å; D124-W128 VanDerWaalsContact O-CB 3.23Å; D124-W128 WeakPolarHBondContact O-CB 3.28Å; D124-W128 PolarHBondContact O-N 2.97Å
125	I	97.7	Very high	92.6	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-58.4	-50.5	177.9	-65.2	166.2	0	0	0	109.9	L45 L59 Y63 A66 L79 Y116 E121 N127 W128 L129	L45-I125 HydrophobicContact CD2-CG2 3.85Å; L59-I125 HydrophobicContact CD1-CD1 4.27Å; Y63-I125 HydrophobicContact CD2-CD1 4.1Å; A66-I125 HydrophobicContact CB-CB 4.13Å; A66-I125 HydrophobicContact CB-CD1 4.42Å; A66-I125 HydrophobicContact CB-CG2 3.94Å; L79-I125 HydrophobicContact CD2-CG2 4.32Å; Y116-I125 HydrophobicContact CE1-CG1 4.27Å; Y116-I125 HydrophobicContact CE2-CG1 4.36Å; Y116-I125 WeakPolarHBondContact OH-CA 3.18Å; Y116-I125 VanDerWaalsContact OH-CG1 3.32Å; Y116-I125 WeakPolarHBondContact OH-CG1 3.41Å; Y116-I125 PolarHBondContact OH-N 3.43Å; E121-I125 PolarHBondContact O-N 3.44Å; I125-N127 PolarHBondContact O-N 3.38Å; I125-W128 PolarHBondContact O-N 3.17Å; I125-L129 HydrophobicContact CG2-CD1 3.76Å; I125-L129 WeakPolarHBondContact O-CB 3.35Å; I125-L129 WeakPolarHBondContact O-CD1 3.01Å; I125-L129 VanDerWaalsContact O-CG 3.25Å; I125-L129 WeakPolarHBondContact O-CG 3.31Å; I125-L129 PolarHBondContact O-N 3.46Å
126	V	96.7	Very high	92.5	Very high	5 Å²	5	58 Å²	58	3%	0.03	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-44.9	179.9	171.9	0	0	0	0	111.2	A66 K69 L70 A122 D123 D124 L129 K130	A66-V126 HydrophobicContact CB-CG2 4.03Å; K69-V126 HydrophobicContact CB-CG2 4.44Å; L70-V126 HydrophobicContact CD1-CG2 4.48Å; L70-V126 HydrophobicContact CD2-CG1 4.2Å; L70-V126 HydrophobicContact CD2-CG2 4.45Å; L70-V126 HydrophobicContact CG-CG2 4.14Å; A122-V126 VanDerWaalsContact O-CG2 3.25Å; A122-V126 WeakPolarHBondContact O-CG2 3.48Å; A122-V126 PolarHBondContact O-N 2.6Å; A122-V126 VanDerWaalsContact O-N 3.1Å; D123-V126 PolarHBondContact O-N 2.94Å; D124-V126 PolarHBondContact O-N 3.08Å; V126-L129 PolarHBondContact O-N 3.26Å; V126-K130 HydrophobicContact CG1-CD 3.98Å; V126-K130 HydrophobicContact CG1-CG 4.36Å; V126-K130 WeakPolarHBondContact O-CB 3.5Å; V126-K130 WeakPolarHBondContact O-CG 3.48Å; V126-K130 PolarHBondContact O-N 3.14Å
127	N	93.7	Very high	92.6	Very high	99 Å²	99	57.5 Å²	57.5	53%	0.529	31%	0.311	S	S	.	.	H	α-helix	trans	-66.1	-42.8	-179.2	-73.2	-29	0	0	0	112.1	D123 D124 I125 L129 K130 K131	D123-N127 VanDerWaalsContact O-CB 3.28Å; D123-N127 WeakPolarHBondContact O-CB 3.24Å; D123-N127 PolarHBondContact O-N 3.37Å; D123-N127 PolarHBondContact O-ND2 3.1Å; D124-N127 PolarHBondContact O-N 3.11Å; I125-N127 PolarHBondContact O-N 3.38Å; N127-L129 VanDerWaalsContact C-N 3.34Å; N127-L129 PolarHBondContact O-N 3.15Å; N127-K130 PolarHBondContact O-N 3.12Å; N127-K131 WeakPolarHBondContact O-CB 3.36Å; N127-K131 PolarHBondContact O-N 3.02Å
128	W	94.3	Very high	92.8	Very high	27 Å²	27	55.6 Å²	55.6	10%	0.102	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-42.8	177	-174.5	105.4	0	0	0	111.6	L45 F104 K114 Y116 A118 D124 I125 R132	L45-W128 HydrophobicContact CD1-CZ3 4.49Å; F104-W128 HydrophobicContact CB-CH2 3.73Å; F104-W128 HydrophobicContact CB-CZ3 3.78Å; F104-W128 HydrophobicContact CD1-CH2 4.44Å; F104-W128 HydrophobicContact CD1-CZ3 4.34Å; F104-W128 HydrophobicContact CD2-CZ3 4.4Å; F104-W128 HydrophobicContact CG-CH2 4.2Å; F104-W128 AromaticContact CG-CZ3 3.92Å; F104-W128 HydrophobicContact CG-CZ3 3.92Å; K114-W128 HydrophobicContact CB-CH2 4.49Å; Y116-W128 HydrophobicContact CD2-CB 4.43Å; Y116-W128 AromaticContact CD2-CD2 3.46Å; Y116-W128 HydrophobicContact CD2-CD2 3.46Å; Y116-W128 VanDerWaalsContact CD2-CD2 3.46Å; Y116-W128 AromaticContact CD2-CE2 3.65Å; Y116-W128 AromaticContact CD2-CE3 3.71Å; Y116-W128 HydrophobicContact CD2-CE3 3.71Å; Y116-W128 AromaticContact CD2-CG 3.82Å; Y116-W128 HydrophobicContact CD2-CG 3.82Å; Y116-W128 HydrophobicContact CD2-CH2 4.35Å; Y116-W128 HydrophobicContact CD2-CZ2 4.11Å; Y116-W128 HydrophobicContact CD2-CZ3 4.16Å; Y116-W128 HydrophobicContact CE2-CB 3.72Å; Y116-W128 AromaticContact CE2-CD1 3.94Å; Y116-W128 AromaticContact CE2-CD2 3.7Å; Y116-W128 HydrophobicContact CE2-CD2 3.7Å; Y116-W128 HydrophobicContact CE2-CE3 4.12Å; Y116-W128 AromaticContact CE2-CG 3.54Å; Y116-W128 HydrophobicContact CE2-CG 3.54Å; A118-W128 HydrophobicContact CB-CG 4.34Å; D124-W128 VanDerWaalsContact O-CB 3.23Å; D124-W128 WeakPolarHBondContact O-CB 3.28Å; D124-W128 PolarHBondContact O-N 2.97Å; I125-W128 PolarHBondContact O-N 3.17Å; W128-R132 VanDerWaalsContact CD2-NH1 3.29Å; W128-R132 VanDerWaalsContact CZ3-CD 3.42Å; W128-R132 PolarHBondContact O-N 3Å
129	L	94.6	Very high	93.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.3	-50.4	176.4	-73.5	165.5	0	0	0	110.8	L45 L70 I77 L79 F104 I125 V126 N127 K131 R132 T133	L45-L129 HydrophobicContact CB-CD2 4.09Å; L45-L129 HydrophobicContact CD1-CD2 4.26Å; L45-L129 HydrophobicContact CD2-CD1 3.97Å; L45-L129 HydrophobicContact CD2-CD2 4.22Å; L45-L129 HydrophobicContact CD2-CG 4.36Å; L45-L129 HydrophobicContact CG-CD2 4.43Å; L70-L129 HydrophobicContact CD1-CD1 3.91Å; I77-L129 HydrophobicContact CD1-CB 4.1Å; I77-L129 HydrophobicContact CG2-CB 4.36Å; I77-L129 HydrophobicContact CG2-CD1 3.92Å; I77-L129 HydrophobicContact CG2-CD2 4.11Å; I77-L129 HydrophobicContact CG2-CG 4.37Å; L79-L129 HydrophobicContact CD1-CD1 3.83Å; F104-L129 HydrophobicContact CD2-CD2 3.67Å; F104-L129 HydrophobicContact CE2-CD2 3.82Å; I125-L129 HydrophobicContact CG2-CD1 3.76Å; I125-L129 WeakPolarHBondContact O-CB 3.35Å; I125-L129 WeakPolarHBondContact O-CD1 3.01Å; I125-L129 VanDerWaalsContact O-CG 3.25Å; I125-L129 WeakPolarHBondContact O-CG 3.31Å; I125-L129 PolarHBondContact O-N 3.46Å; V126-L129 PolarHBondContact O-N 3.26Å; N127-L129 VanDerWaalsContact C-N 3.34Å; N127-L129 PolarHBondContact O-N 3.15Å; L129-K131 VanDerWaalsContact C-N 3.27Å; L129-K131 PolarHBondContact O-N 3.28Å; L129-R132 PolarHBondContact O-N 3.16Å; L129-T133 WeakPolarHBondContact O-CG2 3.24Å; L129-T133 PolarHBondContact O-N 2.93Å; L129-T133 PolarHBondContact O-OG1 2.96Å; L129-T133 VanDerWaalsContact O-OG1 3.05Å
130	K	90.5	Very high	93.4	Very high	82 Å²	82	57.4 Å²	57.4	36%	0.357	30%	0.299	S	S	.	.	H	α-helix	trans	-57.2	-39.2	178	-77.8	-176.9	178.7	177.2	0	112.4	E73 V126 N127 R132 G134	E73-K130 IonicContact OE1-NZ 3.31Å; E73-K130 PolarHBondContact OE1-NZ 3.43Å; E73-K130 WeakPolarHBondContact OE2-CE 3.45Å; E73-K130 IonicContact OE2-NZ 2.66Å; E73-K130 PolarHBondContact OE2-NZ 3.25Å; V126-K130 HydrophobicContact CG1-CD 3.98Å; V126-K130 HydrophobicContact CG1-CG 4.36Å; V126-K130 WeakPolarHBondContact O-CB 3.5Å; V126-K130 WeakPolarHBondContact O-CG 3.48Å; V126-K130 PolarHBondContact O-N 3.14Å; N127-K130 PolarHBondContact O-N 3.12Å; K130-R132 VanDerWaalsContact C-N 3.3Å; K130-R132 PolarHBondContact O-N 3.07Å; K130-G134 PolarHBondContact O-N 2.75Å
131	K	87.7	Confident	93.5	Very high	165 Å²	165	55.4 Å²	55.4	72%	0.717	30%	0.302	S	S	*	.	H	α-helix	trans	-61	-38.7	175.7	-174.3	-180	176.4	-174	0	111.9	N127 L129	N127-K131 WeakPolarHBondContact O-CB 3.36Å; N127-K131 PolarHBondContact O-N 3.02Å; L129-K131 VanDerWaalsContact C-N 3.27Å; L129-K131 PolarHBondContact O-N 3.28Å
132	R	88.8	Confident	93.6	Very high	63 Å²	63	52.9 Å²	52.9	24%	0.238	29%	0.293	C	S	.	.	H	α-helix	trans	-86.1	-28.4	-177.5	-78.2	174.3	171.3	80	-5.6	114.3	R106 W128 L129 K130 D180	R106-R132 PolarHBondContact NH1-O 3.26Å; W128-R132 VanDerWaalsContact CD2-NH1 3.29Å; W128-R132 VanDerWaalsContact CZ3-CD 3.42Å; W128-R132 PolarHBondContact O-N 3Å; L129-R132 PolarHBondContact O-N 3.16Å; K130-R132 VanDerWaalsContact C-N 3.3Å; K130-R132 PolarHBondContact O-N 3.07Å; R132-D180 IonicContact CZ-OD1 3Å; R132-D180 IonicContact NE-OD1 4Å; R132-D180 PolarHBondContact NE-OD1 2.92Å; R132-D180 IonicContact NH2-OD1 2.71Å; R132-D180 PolarHBondContact NH2-OD1 2.8Å
133	T	88.7	Confident	93.6	Very high	24 Å²	24	53.5 Å²	53.5	15%	0.147	30%	0.299	C	S	.	.	H	α-helix	trans	-94.1	-8.1	179.4	63.9	0	0	0	0	113.2	Y43 I77 F104 L129	Y43-T133 HydrophobicContact CD1-CG2 3.67Å; Y43-T133 HydrophobicContact CD2-CG2 3.69Å; Y43-T133 HydrophobicContact CE1-CG2 4.09Å; Y43-T133 HydrophobicContact CE2-CG2 4.09Å; Y43-T133 HydrophobicContact CG-CG2 3.45Å; Y43-T133 VanDerWaalsContact CG-CG2 3.45Å; I77-T133 HydrophobicContact CD1-CG2 3.87Å; I77-T133 WeakPolarHBondContact CD1-OG1 3.49Å; I77-T133 HydrophobicContact CG1-CG2 3.98Å; F104-T133 HydrophobicContact CE2-CG2 4.28Å; F104-T133 HydrophobicContact CZ-CG2 3.81Å; L129-T133 WeakPolarHBondContact O-CG2 3.24Å; L129-T133 PolarHBondContact O-N 2.93Å; L129-T133 PolarHBondContact O-OG1 2.96Å; L129-T133 VanDerWaalsContact O-OG1 3.05Å
134	G	84	Confident	93.7	Very high	26 Å²	26	52.7 Å²	52.7	27%	0.268	30%	0.304	S	S	.	.	S	Bend	trans	-63.6	-175.8	169.8	0	0	0	0	0	112.8	K130 A136	K130-G134 PolarHBondContact O-N 2.75Å; G134-A136 PolarHBondContact O-N 3Å
135	P	86.3	Confident	93.8	Very high	106 Å²	106	51.4 Å²	51.4	69%	0.688	30%	0.301	S	S	*	.			trans	-61.2	127.4	176.9	27.2	-33.7	0	0	0	109.8	A137	P135-A137 PolarHBondContact O-N 3.07Å; P135-A137 VanDerWaalsContact O-N 3.14Å
136	A	91.7	Very high	93.8	Very high	26 Å²	26	51.3 Å²	51.3	22%	0.215	30%	0.301	C	S	.	.	S	Bend	trans	-58.2	-29.7	-177.6	0	0	0	0	0	112.8	G134 L173 A176 E177	G134-A136 PolarHBondContact O-N 3Å; A136-L173 HydrophobicContact CB-CD2 4.27Å; A136-A176 HydrophobicContact CB-CB 3.84Å; A136-E177 HydrophobicContact CB-CB 4.48Å; A136-E177 HydrophobicContact CB-CG 3.45Å; A136-E177 VanDerWaalsContact CB-CG 3.45Å
137	A	95.8	Very high	93.9	Very high	3 Å²	3	56 Å²	56	3%	0.025	32%	0.322	C	S	.	.	S	Bend	trans	-127.5	137.3	171.6	0	0	0	0	0	110.6	P135 F172 L173 F184 I186	P135-A137 PolarHBondContact O-N 3.07Å; P135-A137 VanDerWaalsContact O-N 3.14Å; A137-F172 HydrophobicContact CB-CE1 3.85Å; A137-L173 HydrophobicContact CB-CD2 3.74Å; A137-F184 CarbonylContact C-O 3.55Å; A137-F184 WeakPolarHBondContact CA-O 3.31Å; A137-F184 HydrophobicContact CB-CB 3.78Å; A137-I186 HydrophobicContact CB-CB 3.99Å; A137-I186 HydrophobicContact CB-CG2 4Å
138	T	95.4	Very high	94.1	Very high	79 Å²	79	55.2 Å²	55.2	49%	0.485	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.2	176.3	-58.1	0	0	0	0	109.8	L140 F184 G185 I186	T138-L140 HydrophobicContact CG2-CD2 4.5Å; T138-L140 PolarHBondContact O-N 3.49Å; T138-F184 PolarHBondContact N-O 2.79Å; T138-G185 CarbonylContact O-C 3.47Å; T138-G185 VanDerWaalsContact O-CA 3.3Å; T138-G185 WeakPolarHBondContact O-CA 3.42Å; T138-I186 PolarHBondContact O-N 3.09Å
139	T	97.8	Very high	94.2	Very high	106 Å²	106	54.9 Å²	54.9	65%	0.65	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	124	174.8	-57.1	0	0	0	0	110.7	P141 I186	T139-P141 WeakPolarHBondContact O-CD 2.8Å; T139-I186 CarbonylContact C-O 3.44Å; T139-I186 WeakPolarHBondContact CA-O 3.38Å
140	L	98.1	Very high	94.3	Very high	6 Å²	6	56.4 Å²	56.4	3%	0.031	33%	0.334	C	S	.	.			trans	-103.7	104.1	-177.5	-53.7	174.8	0	0	0	109.9	T138 D142 A145 A146 L149 I158 I186 T187	T138-L140 HydrophobicContact CG2-CD2 4.5Å; T138-L140 PolarHBondContact O-N 3.49Å; L140-D142 PolarHBondContact O-N 2.9Å; L140-A145 HydrophobicContact CB-CB 4.49Å; L140-A145 HydrophobicContact CD2-CB 4.26Å; L140-A146 HydrophobicContact CD1-CB 4.03Å; L140-L149 HydrophobicContact CD1-CD2 4.07Å; L140-L149 HydrophobicContact CD2-CB 4.32Å; L140-L149 HydrophobicContact CD2-CD2 4.19Å; L140-I158 HydrophobicContact CD1-CD1 3.72Å; L140-I158 HydrophobicContact CD1-CG1 4.02Å; L140-I158 HydrophobicContact CD1-CG2 3.88Å; L140-I186 PolarHBondContact N-O 3.28Å; L140-T187 WeakPolarHBondContact O-CB 3.47Å; L140-T187 PolarHBondContact O-OG1 3.15Å
141	P	97.3	Very high	94.6	Very high	82 Å²	82	58.6 Å²	58.6	53%	0.532	35%	0.345	S	S	.	.			trans	-73.4	-25.5	-174.8	28.8	-36.2	0	0	0	113.4	T139 A145 N189	T139-P141 WeakPolarHBondContact O-CD 2.8Å; P141-A145 HydrophobicContact CG-CB 4.23Å; P141-N189 PolarHBondContact O-ND2 3.34Å
142	D	98.2	Very high	94.9	Very high	73 Å²	73	54.8 Å²	54.8	39%	0.39	34%	0.339	S	S	.	.	S	Bend	trans	-153.9	178.3	-174.8	61.8	46.3	0	0	0	112.3	L140 A144 A145 A146 V192	L140-D142 PolarHBondContact O-N 2.9Å; D142-A144 VanDerWaalsContact C-N 3.29Å; D142-A144 PolarHBondContact O-N 3.26Å; D142-A144 WeakPolarHBondContact OD1-CA 3.32Å; D142-A144 WeakPolarHBondContact OD1-CB 3.3Å; D142-A144 PolarHBondContact OD1-N 3.19Å; D142-A145 PolarHBondContact O-N 3.11Å; D142-A145 PolarHBondContact OD1-N 3.47Å; D142-A146 PolarHBondContact O-N 3Å; D142-V192 VanDerWaalsContact C-CG2 3.44Å
143	G	97.3	Very high	95	Very high	14 Å²	14	53.3 Å²	53.3	14%	0.144	34%	0.339	C	S	.	.	H	α-helix	trans	-71.2	-19.2	-177.9	0	0	0	0	0	114.6	E147 K195	G143-E147 WeakPolarHBondContact O-CG 3.36Å; G143-E147 PolarHBondContact O-N 2.94Å; G143-K195 PolarHBondContact O-NZ 2.81Å
144	A	97.9	Very high	95.2	Very high	63 Å²	63	58 Å²	58	52%	0.521	36%	0.359	S	S	.	.	H	α-helix	trans	-78.7	-39.8	177	0	0	0	0	0	110.3	D142 A146 E147 S148	D142-A144 VanDerWaalsContact C-N 3.29Å; D142-A144 PolarHBondContact O-N 3.26Å; D142-A144 WeakPolarHBondContact OD1-CA 3.32Å; D142-A144 WeakPolarHBondContact OD1-CB 3.3Å; D142-A144 PolarHBondContact OD1-N 3.19Å; A144-A146 VanDerWaalsContact C-N 3.32Å; A144-A146 PolarHBondContact O-N 2.94Å; A144-E147 PolarHBondContact O-N 2.83Å; A144-S148 WeakPolarHBondContact O-CB 3.46Å; A144-S148 PolarHBondContact O-N 2.88Å
145	A	98.1	Very high	95.8	Very high	29 Å²	29	57.4 Å²	57.4	24%	0.24	35%	0.35	C	S	.	.	H	α-helix	trans	-60.9	-41.6	171.6	0	0	0	0	0	111.8	L140 P141 D142 S148 L149	L140-A145 HydrophobicContact CB-CB 4.49Å; L140-A145 HydrophobicContact CD2-CB 4.26Å; P141-A145 HydrophobicContact CG-CB 4.23Å; D142-A145 PolarHBondContact O-N 3.11Å; D142-A145 PolarHBondContact OD1-N 3.47Å; A145-S148 PolarHBondContact O-N 3.12Å; A145-L149 PolarHBondContact O-N 3.12Å
146	A	97.9	Very high	96.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-44.5	177	0	0	0	0	0	112.8	L140 D142 A144 L149 V150 I158 V192 Y196	L140-A146 HydrophobicContact CD1-CB 4.03Å; D142-A146 PolarHBondContact O-N 3Å; A144-A146 VanDerWaalsContact C-N 3.32Å; A144-A146 PolarHBondContact O-N 2.94Å; A146-L149 PolarHBondContact O-N 3.42Å; A146-V150 WeakPolarHBondContact O-CG2 3.37Å; A146-V150 PolarHBondContact O-N 3.02Å; A146-V150 VanDerWaalsContact O-N 3.1Å; A146-I158 HydrophobicContact CB-CD1 4.1Å; A146-V192 HydrophobicContact CB-CG1 3.81Å; A146-Y196 HydrophobicContact CB-CE2 3.82Å
147	E	97.9	Very high	96.7	Very high	103 Å²	103	51.1 Å²	51.1	48%	0.481	31%	0.307	S	S	.	.	H	α-helix	trans	-61.7	-44.2	174.1	-80.8	171.6	166.8	0	0	112.1	G143 A144 L149 V150 E151 K195	G143-E147 WeakPolarHBondContact O-CG 3.36Å; G143-E147 PolarHBondContact O-N 2.94Å; A144-E147 PolarHBondContact O-N 2.83Å; E147-L149 VanDerWaalsContact C-N 3.26Å; E147-L149 PolarHBondContact O-N 3.49Å; E147-V150 PolarHBondContact O-N 2.9Å; E147-E151 WeakPolarHBondContact O-CB 3.4Å; E147-E151 PolarHBondContact O-N 2.96Å; E147-K195 VanDerWaalsContact CD-CE 3.49Å; E147-K195 WeakPolarHBondContact OE1-CE 3.38Å; E147-K195 IonicContact OE1-NZ 2.89Å; E147-K195 PolarHBondContact OE1-NZ 2.74Å; E147-K195 IonicContact OE2-NZ 2.75Å; E147-K195 PolarHBondContact OE2-NZ 3.3Å
148	S	97.8	Very high	96.8	Very high	83 Å²	83	51 Å²	51	58%	0.58	31%	0.306	S	S	*	.	H	α-helix	trans	-60.4	-37.1	178.4	-173.7	0	0	0	0	112.2	A144 A145 S152	A144-S148 WeakPolarHBondContact O-CB 3.46Å; A144-S148 PolarHBondContact O-N 2.88Å; A145-S148 PolarHBondContact O-N 3.12Å; S148-S152 WeakPolarHBondContact O-CB 3.32Å; S148-S152 PolarHBondContact O-N 3.47Å; S148-S152 VanDerWaalsContact O-N 3.16Å
149	L	96.5	Very high	97	Very high	19 Å²	19	47.2 Å²	47.2	10%	0.099	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-49.7	175.8	-175	73.9	0	0	0	110.9	L140 A145 A146 E147 E151 S152 I158 P183 G185	L140-L149 HydrophobicContact CD1-CD2 4.07Å; L140-L149 HydrophobicContact CD2-CB 4.32Å; L140-L149 HydrophobicContact CD2-CD2 4.19Å; A145-L149 PolarHBondContact O-N 3.12Å; A146-L149 PolarHBondContact O-N 3.42Å; E147-L149 VanDerWaalsContact C-N 3.26Å; E147-L149 PolarHBondContact O-N 3.49Å; L149-E151 VanDerWaalsContact C-N 3.28Å; L149-E151 PolarHBondContact O-N 2.84Å; L149-S152 PolarHBondContact O-N 3.25Å; L149-S152 PolarHBondContact O-OG 3.28Å; L149-I158 HydrophobicContact CD2-CD1 4.34Å; L149-I158 HydrophobicContact CD2-CG1 4.03Å; L149-P183 HydrophobicContact CD1-CB 3.93Å; L149-G185 VanDerWaalsContact CD2-CA 3.5Å
150	V	96.8	Very high	97	Very high	32 Å²	32	42.1 Å²	42.1	19%	0.194	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-36.8	-180	173.2	0	0	0	0	111.5	A146 E147 S152 S153 A156 I158 F206	A146-V150 WeakPolarHBondContact O-CG2 3.37Å; A146-V150 PolarHBondContact O-N 3.02Å; A146-V150 VanDerWaalsContact O-N 3.1Å; E147-V150 PolarHBondContact O-N 2.9Å; V150-S152 VanDerWaalsContact C-N 3.34Å; V150-S153 VanDerWaalsContact O-O 3.08Å; V150-A156 HydrophobicContact CG2-CB 4.49Å; V150-I158 HydrophobicContact CG2-CD1 3.93Å; V150-F206 HydrophobicContact CB-CB 4.36Å; V150-F206 HydrophobicContact CB-CG 4.49Å; V150-F206 HydrophobicContact CG1-CB 3.57Å; V150-F206 HydrophobicContact CG1-CD1 4.33Å; V150-F206 HydrophobicContact CG1-CG 3.98Å; V150-F206 HydrophobicContact CG2-CB 3.88Å; V150-F206 HydrophobicContact CG2-CD1 4.23Å; V150-F206 HydrophobicContact CG2-CD2 3.56Å; V150-F206 HydrophobicContact CG2-CE2 4.15Å; V150-F206 HydrophobicContact CG2-CG 3.61Å
151	E	96	Very high	97	Very high	128 Å²	128	41.9 Å²	41.9	60%	0.598	25%	0.25	S	S	*	.	H	α-helix	trans	-73.6	-26.8	178.8	-167.6	55.5	-128.9	0	0	112.8	E147 L149 S153 K208	E147-E151 WeakPolarHBondContact O-CB 3.4Å; E147-E151 PolarHBondContact O-N 2.96Å; L149-E151 VanDerWaalsContact C-N 3.28Å; L149-E151 PolarHBondContact O-N 2.84Å; E151-S153 PolarHBondContact O-N 2.91Å; E151-K208 PolarHBondContact O-NZ 3.13Å; E151-K208 IonicContact OE1-NZ 2.7Å; E151-K208 PolarHBondContact OE1-NZ 2.8Å
152	S	93.9	Very high	97	Very high	85 Å²	85	42.9 Å²	42.9	59%	0.594	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.8	-175	72.4	0	0	0	0	114.9	S148 L149 V150	S148-S152 WeakPolarHBondContact O-CB 3.32Å; S148-S152 PolarHBondContact O-N 3.47Å; S148-S152 VanDerWaalsContact O-N 3.16Å; L149-S152 PolarHBondContact O-N 3.25Å; L149-S152 PolarHBondContact O-OG 3.28Å; V150-S152 VanDerWaalsContact C-N 3.34Å
153	S	92.6	Very high	97	Very high	32 Å²	32	43.8 Å²	43.8	22%	0.224	25%	0.251	C	S	.	.	S	Bend	trans	-145.1	156.4	-173.7	-179.7	0	0	0	0	111.3	V150 E151 V155 P183 K208	V150-S153 VanDerWaalsContact O-O 3.08Å; E151-S153 PolarHBondContact O-N 2.91Å; S153-V155 VanDerWaalsContact C-N 3.28Å; S153-V155 VanDerWaalsContact CB-O 3.26Å; S153-V155 WeakPolarHBondContact CB-O 3.34Å; S153-V155 PolarHBondContact OG-N 2.6Å; S153-V155 PolarHBondContact OG-O 3.3Å; S153-P183 VanDerWaalsContact CB-CG 3.47Å; S153-P183 WeakPolarHBondContact OG-CD 3.39Å; S153-K208 VanDerWaalsContact O-CE 3.28Å; S153-K208 WeakPolarHBondContact O-CE 3.26Å
154	E	92.9	Very high	96.9	Very high	123 Å²	123	45.8 Å²	45.8	58%	0.575	26%	0.26	S	S	*	.	S	Bend	trans	-68.4	-30.8	176.2	-166	164	177.7	0	0	112.4	K207 K208 F209	E154-K207 CarbonylContact O-C 3.51Å; E154-K207 WeakPolarHBondContact O-CA 3.41Å; E154-K208 HydrophobicContact CG-CB 4.24Å; E154-K208 PolarHBondContact O-N 3.25Å; E154-F209 HydrophobicContact CG-CD1 4.06Å; E154-F209 HydrophobicContact CG-CE1 4.05Å
155	V	95.8	Very high	96.8	Very high	13 Å²	13	48.7 Å²	48.7	8%	0.079	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.4	170.4	-179	0	0	0	0	108.9	S153 I182 P183 L205 F206 K207 F209 Q233	S153-V155 VanDerWaalsContact C-N 3.28Å; S153-V155 VanDerWaalsContact CB-O 3.26Å; S153-V155 WeakPolarHBondContact CB-O 3.34Å; S153-V155 PolarHBondContact OG-N 2.6Å; S153-V155 PolarHBondContact OG-O 3.3Å; V155-I182 HydrophobicContact CG1-CD1 4.06Å; V155-I182 HydrophobicContact CG1-CG1 4.44Å; V155-I182 HydrophobicContact CG1-CG2 4.15Å; V155-P183 VanDerWaalsContact O-CD 3.29Å; V155-P183 WeakPolarHBondContact O-CD 3.38Å; V155-L205 HydrophobicContact CG1-CD1 4.04Å; V155-L205 HydrophobicContact CG1-CD2 4.06Å; V155-L205 HydrophobicContact CG1-CG 3.93Å; V155-F206 CarbonylContact C-O 3.57Å; V155-F206 VanDerWaalsContact CA-O 3.3Å; V155-F206 WeakPolarHBondContact CA-O 3.48Å; V155-K207 HydrophobicContact CG2-CB 4.15Å; V155-F209 HydrophobicContact CG2-CE1 3.77Å; V155-F209 HydrophobicContact CG2-CZ 3.8Å; V155-Q233 HydrophobicContact CG1-CB 4.49Å
156	A	98.1	Very high	96.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149	173.9	0	0	0	0	0	110.4	V150 P183 F206	V150-A156 HydrophobicContact CG2-CB 4.49Å; A156-P183 HydrophobicContact CB-CG 3.99Å; A156-F206 PolarHBondContact N-O 3.02Å; A156-F206 PolarHBondContact O-N 2.69Å
157	V	98.6	Very high	96.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.8	-179.4	-178.3	0	0	0	0	110.1	F172 I182 P183 F184 G185 V203 V204 L205 I229	V157-F172 HydrophobicContact CG1-CE2 3.86Å; V157-F172 HydrophobicContact CG1-CZ 4.46Å; V157-I182 HydrophobicContact CG2-CG2 3.88Å; V157-P183 PolarHBondContact N-O 2.9Å; V157-F184 HydrophobicContact CB-CD1 3.77Å; V157-F184 HydrophobicContact CB-CE1 3.71Å; V157-F184 HydrophobicContact CB-CG 4.4Å; V157-F184 HydrophobicContact CB-CZ 4.27Å; V157-F184 HydrophobicContact CG1-CD1 3.93Å; V157-F184 HydrophobicContact CG1-CE1 3.76Å; V157-F184 HydrophobicContact CG2-CE1 4.19Å; V157-F184 HydrophobicContact CG2-CZ 4.33Å; V157-F184 CarbonylContact O-C 3.53Å; V157-F184 VanDerWaalsContact O-CA 3.3Å; V157-F184 WeakPolarHBondContact O-CA 3.22Å; V157-G185 PolarHBondContact O-N 2.95Å; V157-V203 HydrophobicContact CG1-CG1 3.56Å; V157-V204 WeakPolarHBondContact CA-O 3.34Å; V157-L205 HydrophobicContact CG2-CB 4.26Å; V157-L205 HydrophobicContact CG2-CD1 4.16Å; V157-L205 HydrophobicContact CG2-CG 4.14Å; V157-I229 HydrophobicContact CG1-CD1 4.43Å; V157-I229 HydrophobicContact CG2-CD1 4.16Å; V157-I229 HydrophobicContact CG2-CG1 4.13Å
158	I	98.7	Very high	96.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.3	176.7	-57.5	179.7	0	0	0	110.4	L140 A146 L149 V150 F160 G185 T187 V203 V204 F206	L140-I158 HydrophobicContact CD1-CD1 3.72Å; L140-I158 HydrophobicContact CD1-CG1 4.02Å; L140-I158 HydrophobicContact CD1-CG2 3.88Å; A146-I158 HydrophobicContact CB-CD1 4.1Å; L149-I158 HydrophobicContact CD2-CD1 4.34Å; L149-I158 HydrophobicContact CD2-CG1 4.03Å; V150-I158 HydrophobicContact CG2-CD1 3.93Å; I158-F160 HydrophobicContact CB-CD2 4.47Å; I158-F160 HydrophobicContact CB-CE2 3.73Å; I158-F160 HydrophobicContact CB-CZ 4.08Å; I158-F160 HydrophobicContact CG2-CD2 3.99Å; I158-F160 HydrophobicContact CG2-CE1 4.21Å; I158-F160 HydrophobicContact CG2-CE2 3.49Å; I158-F160 VanDerWaalsContact CG2-CE2 3.49Å; I158-F160 HydrophobicContact CG2-CZ 3.62Å; I158-F160 WeakPolarHBondContact O-CD2 3.3Å; I158-F160 WeakPolarHBondContact O-CE2 3.34Å; I158-G185 CarbonylContact C-O 3.6Å; I158-G185 WeakPolarHBondContact CA-O 3.47Å; I158-T187 HydrophobicContact CG2-CG2 4.47Å; I158-V203 WeakPolarHBondContact O-CA 3.36Å; I158-V204 PolarHBondContact N-O 2.66Å; I158-V204 PolarHBondContact O-N 3.39Å; I158-F206 HydrophobicContact CB-CE2 4.06Å; I158-F206 HydrophobicContact CD1-CD2 4.22Å; I158-F206 HydrophobicContact CD1-CE2 3.77Å; I158-F206 HydrophobicContact CG1-CD2 4.24Å; I158-F206 HydrophobicContact CG1-CE2 3.94Å
159	G	98.6	Very high	96.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.5	167.7	0	0	0	0	0	111.4	F172 G185 I186 T187	G159-F172 VanDerWaalsContact N-CZ 3.25Å; G159-G185 PolarHBondContact N-O 3.07Å; G159-I186 CarbonylContact O-C 3.53Å; G159-I186 WeakPolarHBondContact O-CA 3.43Å; G159-T187 PolarHBondContact O-N 2.93Å
160	F	98.6	Very high	96.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	103	178.7	-62.7	-100.3	0	0	0	107.3	I158 T187 V192 F193 Y196 L198 D201 G202 V204	I158-F160 HydrophobicContact CB-CD2 4.47Å; I158-F160 HydrophobicContact CB-CE2 3.73Å; I158-F160 HydrophobicContact CB-CZ 4.08Å; I158-F160 HydrophobicContact CG2-CD2 3.99Å; I158-F160 HydrophobicContact CG2-CE1 4.21Å; I158-F160 HydrophobicContact CG2-CE2 3.49Å; I158-F160 VanDerWaalsContact CG2-CE2 3.49Å; I158-F160 HydrophobicContact CG2-CZ 3.62Å; I158-F160 WeakPolarHBondContact O-CD2 3.3Å; I158-F160 WeakPolarHBondContact O-CE2 3.34Å; F160-T187 HydrophobicContact CD1-CG2 3.55Å; F160-T187 HydrophobicContact CE1-CG2 3.95Å; F160-T187 HydrophobicContact CG-CG2 4.21Å; F160-V192 HydrophobicContact CE1-CG1 3.98Å; F160-F193 HydrophobicContact CB-CD1 4.1Å; F160-F193 HydrophobicContact CB-CD2 4.22Å; F160-F193 HydrophobicContact CB-CE1 3.73Å; F160-F193 HydrophobicContact CB-CE2 3.86Å; F160-F193 HydrophobicContact CB-CG 4.35Å; F160-F193 HydrophobicContact CB-CZ 3.62Å; F160-F193 AromaticContact CD1-CD2 3.81Å; F160-F193 HydrophobicContact CD1-CD2 3.81Å; F160-F193 HydrophobicContact CD1-CE2 4.17Å; F160-F193 HydrophobicContact CD1-CG 4.04Å; F160-Y196 AromaticContact CE1-CD2 3.72Å; F160-Y196 HydrophobicContact CE1-CD2 3.72Å; F160-Y196 HydrophobicContact CE1-CG 4.39Å; F160-Y196 AromaticContact CZ-CD2 3.51Å; F160-Y196 HydrophobicContact CZ-CD2 3.51Å; F160-Y196 HydrophobicContact CZ-CE2 4.29Å; F160-Y196 AromaticContact CZ-CG 3.97Å; F160-Y196 HydrophobicContact CZ-CG 3.97Å; F160-L198 HydrophobicContact CB-CD1 3.73Å; F160-L198 HydrophobicContact CD1-CD1 4.22Å; F160-L198 HydrophobicContact CD2-CD1 3.53Å; F160-L198 HydrophobicContact CE2-CD1 4.15Å; F160-L198 HydrophobicContact CG-CD1 3.58Å; F160-D201 CarbonylContact O-C 3.58Å; F160-D201 WeakPolarHBondContact O-CA 3.43Å; F160-D201 WeakPolarHBondContact O-CB 3.46Å; F160-G202 PolarHBondContact N-O 3.04Å; F160-G202 PolarHBondContact O-N 2.98Å; F160-V204 HydrophobicContact CD2-CG2 4.15Å; F160-V204 HydrophobicContact CE2-CB 3.95Å; F160-V204 HydrophobicContact CE2-CG2 3.67Å
161	F	98.4	Very high	96.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.			trans	-132.9	122	-177.2	-61.7	-76.9	0	0	0	110.5	D163 A169 F172 I186 T187 S188 D201 V203 V220	F161-D163 VanDerWaalsContact C-N 3.26Å; F161-D163 PolarHBondContact O-N 3.1Å; F161-A169 HydrophobicContact CB-CB 3.99Å; F161-A169 HydrophobicContact CD1-CB 4.13Å; F161-A169 HydrophobicContact CD2-CB 3.94Å; F161-A169 HydrophobicContact CE2-CB 4.48Å; F161-A169 HydrophobicContact CG-CB 3.74Å; F161-F172 HydrophobicContact CE2-CB 3.61Å; F161-F172 AromaticContact CE2-CD1 3.82Å; F161-F172 HydrophobicContact CE2-CD1 3.82Å; F161-F172 HydrophobicContact CE2-CD2 4.28Å; F161-F172 AromaticContact CE2-CG 3.63Å; F161-F172 HydrophobicContact CE2-CG 3.63Å; F161-F172 HydrophobicContact CZ-CB 3.72Å; F161-F172 HydrophobicContact CZ-CG 4.14Å; F161-I186 HydrophobicContact CD2-CD1 3.96Å; F161-I186 HydrophobicContact CD2-CG1 4.12Å; F161-T187 PolarHBondContact N-O 3.43Å; F161-S188 WeakPolarHBondContact O-CA 3.34Å; F161-S188 WeakPolarHBondContact O-CB 3.36Å; F161-D201 WeakPolarHBondContact CA-OD1 3.43Å; F161-D201 HydrophobicContact CD1-CB 3.94Å; F161-D201 HydrophobicContact CE1-CB 4.41Å; F161-V203 HydrophobicContact CE2-CG2 4.37Å; F161-V203 HydrophobicContact CZ-CG2 3.94Å; F161-V220 HydrophobicContact CE1-CG1 4.36Å; F161-V220 HydrophobicContact CZ-CG1 4.14Å
162	K	97.1	Very high	97	Very high	104 Å²	104	45.4 Å²	45.4	45%	0.452	24%	0.241	S	C	.	.	S	Bend	trans	-61.7	-39.1	176.7	-64.6	-49.1	-179.7	-163.1	0	111.7	F193 D201	K162-F193 HydrophobicContact CD-CE1 3.95Å; K162-F193 HydrophobicContact CD-CE2 4.27Å; K162-F193 HydrophobicContact CD-CZ 3.71Å; K162-F193 VanDerWaalsContact CE-CE1 3.49Å; K162-F193 HydrophobicContact CG-CZ 4.38Å; K162-F193 VanDerWaalsContact NZ-CE1 3.3Å; K162-F193 VanDerWaalsContact NZ-CG 3.27Å; K162-D201 WeakPolarHBondContact CG-OD1 3.31Å; K162-D201 PolarHBondContact N-OD1 3.01Å
163	D	97.2	Very high	97.1	Very high	91 Å²	91	43.7 Å²	43.7	49%	0.487	23%	0.225	S	C	.	.	S	Bend	trans	-112.4	110.2	171.9	-175	-3.6	0	0	0	109.5	F161 E165 S166	F161-D163 VanDerWaalsContact C-N 3.26Å; F161-D163 PolarHBondContact O-N 3.1Å; D163-E165 PolarHBondContact O-N 3.42Å; D163-E165 WeakPolarHBondContact OD1-CB 3.42Å; D163-E165 PolarHBondContact OD1-N 2.9Å; D163-S166 VanDerWaalsContact O-CB 3.23Å; D163-S166 WeakPolarHBondContact O-CB 3.15Å; D163-S166 PolarHBondContact O-N 3.02Å; D163-S166 PolarHBondContact O-OG 3.1Å
164	V	95.6	Very high	97.2	Very high	56 Å²	56	46.6 Å²	46.6	34%	0.339	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.1	179.3	-62.9	0	0	0	0	112.9	A169 I186	V164-A169 VanDerWaalsContact O-CB 3.26Å; V164-A169 WeakPolarHBondContact O-CB 3.47Å; V164-I186 HydrophobicContact CB-CD1 4.49Å; V164-I186 HydrophobicContact CG1-CD1 4.28Å; V164-I186 HydrophobicContact CG1-CG1 4.48Å
165	E	95.7	Very high	97.3	Very high	124 Å²	124	40.8 Å²	40.8	58%	0.579	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	1.8	175.6	-62.9	-58.3	139.9	0	0	113.2	D163 K170	D163-E165 PolarHBondContact O-N 3.42Å; D163-E165 WeakPolarHBondContact OD1-CB 3.42Å; D163-E165 PolarHBondContact OD1-N 2.9Å; E165-K170 WeakPolarHBondContact O-CE 3.49Å; E165-K170 PolarHBondContact O-NZ 3.37Å
166	S	97.2	Very high	97.3	Very high	26 Å²	26	40.4 Å²	40.4	18%	0.182	21%	0.206	C	C	.	.	S	Bend	trans	-61.1	158.5	175	66.6	0	0	0	0	112.1	D163 S168 A169 K170	D163-S166 VanDerWaalsContact O-CB 3.23Å; D163-S166 WeakPolarHBondContact O-CB 3.15Å; D163-S166 PolarHBondContact O-N 3.02Å; D163-S166 PolarHBondContact O-OG 3.1Å; S166-S168 VanDerWaalsContact C-N 3.33Å; S166-S168 PolarHBondContact O-N 2.93Å; S166-A169 PolarHBondContact O-N 2.96Å; S166-A169 VanDerWaalsContact OG-CB 3.3Å; S166-A169 WeakPolarHBondContact OG-CB 3.44Å; S166-A169 PolarHBondContact OG-N 2.94Å; S166-K170 WeakPolarHBondContact O-CG 3.38Å; S166-K170 PolarHBondContact O-N 3.04Å
167	D	97.4	Very high	97	Very high	117 Å²	117	43.8 Å²	43.8	63%	0.626	22%	0.222	S	C	*	.	H	α-helix	trans	-59.8	-44.1	178.9	-167.2	56.8	0	0	0	111.8	A169 K170 Q171	D167-A169 PolarHBondContact O-N 3.41Å; D167-K170 WeakPolarHBondContact O-CB 3.21Å; D167-K170 PolarHBondContact O-N 3.34Å; D167-K170 VanDerWaalsContact O-N 3.15Å; D167-Q171 VanDerWaalsContact O-CG 3.3Å; D167-Q171 WeakPolarHBondContact O-CG 3.34Å; D167-Q171 PolarHBondContact O-N 3.12Å
168	S	97.8	Very high	96.5	Very high	44 Å²	44	45.5 Å²	45.5	31%	0.308	24%	0.236	S	C	.	.	H	α-helix	trans	-63.5	-37.7	175.9	-57.6	0	0	0	0	113.2	S166 K170 Q171 F172	S166-S168 VanDerWaalsContact C-N 3.33Å; S166-S168 PolarHBondContact O-N 2.93Å; S168-K170 VanDerWaalsContact C-N 3.34Å; S168-Q171 PolarHBondContact O-N 3.02Å; S168-F172 WeakPolarHBondContact O-CB 3.48Å; S168-F172 PolarHBondContact O-N 2.96Å
169	A	98.1	Very high	96.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.1	-38.9	174.1	0	0	0	0	0	111.5	F161 V164 S166 D167 F172 L173 I186	F161-A169 HydrophobicContact CB-CB 3.99Å; F161-A169 HydrophobicContact CD1-CB 4.13Å; F161-A169 HydrophobicContact CD2-CB 3.94Å; F161-A169 HydrophobicContact CE2-CB 4.48Å; F161-A169 HydrophobicContact CG-CB 3.74Å; V164-A169 VanDerWaalsContact O-CB 3.26Å; V164-A169 WeakPolarHBondContact O-CB 3.47Å; S166-A169 PolarHBondContact O-N 2.96Å; S166-A169 VanDerWaalsContact OG-CB 3.3Å; S166-A169 WeakPolarHBondContact OG-CB 3.44Å; S166-A169 PolarHBondContact OG-N 2.94Å; D167-A169 PolarHBondContact O-N 3.41Å; A169-F172 WeakPolarHBondContact O-CB 3.25Å; A169-F172 PolarHBondContact O-N 3.04Å; A169-L173 VanDerWaalsContact O-CG 3.3Å; A169-L173 WeakPolarHBondContact O-CG 3.49Å; A169-L173 PolarHBondContact O-N 2.69Å; A169-I186 HydrophobicContact CB-CD1 4.43Å
170	K	97.3	Very high	95.3	Very high	96 Å²	96	49.8 Å²	49.8	42%	0.417	26%	0.258	S	S	.	.	H	α-helix	trans	-65.8	-43.4	175.5	-71.5	172.6	179.1	160.7	0	112.3	E165 S166 D167 S168 F172 L173 Q174	E165-K170 WeakPolarHBondContact O-CE 3.49Å; E165-K170 PolarHBondContact O-NZ 3.37Å; S166-K170 WeakPolarHBondContact O-CG 3.38Å; S166-K170 PolarHBondContact O-N 3.04Å; D167-K170 WeakPolarHBondContact O-CB 3.21Å; D167-K170 PolarHBondContact O-N 3.34Å; D167-K170 VanDerWaalsContact O-N 3.15Å; S168-K170 VanDerWaalsContact C-N 3.34Å; K170-F172 VanDerWaalsContact C-N 3.32Å; K170-F172 PolarHBondContact O-N 3.26Å; K170-L173 PolarHBondContact O-N 3.44Å; K170-Q174 WeakPolarHBondContact O-CG 3.19Å; K170-Q174 PolarHBondContact O-N 3.41Å
171	Q	98.1	Very high	94.6	Very high	41 Å²	41	54 Å²	54	19%	0.192	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-42.9	173.5	-69.9	-82.2	11.4	0	0	111.5	D167 S168 Q174 A175	D167-Q171 VanDerWaalsContact O-CG 3.3Å; D167-Q171 WeakPolarHBondContact O-CG 3.34Å; D167-Q171 PolarHBondContact O-N 3.12Å; S168-Q171 PolarHBondContact O-N 3.02Å; Q171-Q174 WeakPolarHBondContact O-CB 3.15Å; Q171-Q174 PolarHBondContact O-N 3.32Å; Q171-A175 PolarHBondContact O-N 3Å
172	F	98.5	Very high	94.4	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-45.8	174.1	170	-99.8	0	0	0	112.7	A137 V157 G159 F161 S168 A169 K170 Q174 A175 A176 F184 G185 I186 V203 L225	A137-F172 HydrophobicContact CB-CE1 3.85Å; V157-F172 HydrophobicContact CG1-CE2 3.86Å; V157-F172 HydrophobicContact CG1-CZ 4.46Å; G159-F172 VanDerWaalsContact N-CZ 3.25Å; F161-F172 HydrophobicContact CE2-CB 3.61Å; F161-F172 AromaticContact CE2-CD1 3.82Å; F161-F172 HydrophobicContact CE2-CD1 3.82Å; F161-F172 HydrophobicContact CE2-CD2 4.28Å; F161-F172 AromaticContact CE2-CG 3.63Å; F161-F172 HydrophobicContact CE2-CG 3.63Å; F161-F172 HydrophobicContact CZ-CB 3.72Å; F161-F172 HydrophobicContact CZ-CG 4.14Å; S168-F172 WeakPolarHBondContact O-CB 3.48Å; S168-F172 PolarHBondContact O-N 2.96Å; A169-F172 WeakPolarHBondContact O-CB 3.25Å; A169-F172 PolarHBondContact O-N 3.04Å; K170-F172 VanDerWaalsContact C-N 3.32Å; K170-F172 PolarHBondContact O-N 3.26Å; F172-Q174 VanDerWaalsContact C-N 3.3Å; F172-Q174 PolarHBondContact O-N 3.24Å; F172-A175 PolarHBondContact O-N 3Å; F172-A176 PolarHBondContact O-N 3.44Å; F172-F184 HydrophobicContact CE1-CD1 4.49Å; F172-F184 AromaticContact CE2-CD1 3.77Å; F172-F184 HydrophobicContact CE2-CD1 3.77Å; F172-F184 HydrophobicContact CE2-CE1 4.17Å; F172-F184 HydrophobicContact CZ-CB 4.44Å; F172-F184 AromaticContact CZ-CD1 3.64Å; F172-F184 HydrophobicContact CZ-CD1 3.64Å; F172-F184 HydrophobicContact CZ-CE1 4.48Å; F172-G185 WeakPolarHBondContact CZ-O 3.38Å; F172-I186 HydrophobicContact CD1-CD1 4.26Å; F172-I186 HydrophobicContact CE1-CB 4.19Å; F172-I186 HydrophobicContact CE1-CD1 4.48Å; F172-I186 HydrophobicContact CE1-CG1 4.47Å; F172-V203 HydrophobicContact CD2-CG1 4.13Å; F172-V203 HydrophobicContact CD2-CG2 3.67Å; F172-V203 HydrophobicContact CE2-CG1 3.89Å; F172-V203 HydrophobicContact CE2-CG2 4.15Å; F172-V203 HydrophobicContact CG-CG2 4.47Å; F172-L225 HydrophobicContact CB-CD1 3.99Å; F172-L225 HydrophobicContact CD2-CD1 4.03Å
173	L	96.8	Very high	94.2	Very high	49 Å²	49	51.3 Å²	51.3	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-62.7	-37.7	176.5	-68.7	171.1	0	0	0	111.6	A136 A137 A169 K170 A175 A176 E177 I186	A136-L173 HydrophobicContact CB-CD2 4.27Å; A137-L173 HydrophobicContact CB-CD2 3.74Å; A169-L173 VanDerWaalsContact O-CG 3.3Å; A169-L173 WeakPolarHBondContact O-CG 3.49Å; A169-L173 PolarHBondContact O-N 2.69Å; K170-L173 PolarHBondContact O-N 3.44Å; L173-A175 VanDerWaalsContact C-N 3.35Å; L173-A175 PolarHBondContact O-N 3.37Å; L173-A176 WeakPolarHBondContact O-CB 3.25Å; L173-A176 PolarHBondContact O-N 2.79Å; L173-E177 WeakPolarHBondContact O-CG 3.18Å; L173-E177 PolarHBondContact O-N 3.42Å; L173-I186 HydrophobicContact CD2-CD1 4.41Å
174	Q	94.3	Very high	94.3	Very high	94 Å²	94	47.3 Å²	47.3	44%	0.439	25%	0.252	S	S	.	.	H	α-helix	trans	-64.3	-35.9	174.3	-73.3	175.2	-22	0	0	113.1	K170 Q171 F172 K222	K170-Q174 WeakPolarHBondContact O-CG 3.19Å; K170-Q174 PolarHBondContact O-N 3.41Å; Q171-Q174 WeakPolarHBondContact O-CB 3.15Å; Q171-Q174 PolarHBondContact O-N 3.32Å; F172-Q174 VanDerWaalsContact C-N 3.3Å; F172-Q174 PolarHBondContact O-N 3.24Å; Q174-K222 HydrophobicContact CB-CB 4.44Å; Q174-K222 HydrophobicContact CB-CD 4.18Å; Q174-K222 HydrophobicContact CB-CG 4.28Å
175	A	95.7	Very high	94.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.1	-42.1	172	0	0	0	0	0	111.2	Q171 F172 L173 E177 A178 K222 L225 L226	Q171-A175 PolarHBondContact O-N 3Å; F172-A175 PolarHBondContact O-N 3Å; L173-A175 VanDerWaalsContact C-N 3.35Å; L173-A175 PolarHBondContact O-N 3.37Å; A175-E177 VanDerWaalsContact C-N 3.3Å; A175-E177 PolarHBondContact O-N 2.72Å; A175-A178 PolarHBondContact O-N 2.69Å; A175-A178 VanDerWaalsContact O-N 3.12Å; A175-K222 HydrophobicContact CB-CG 4.39Å; A175-L225 HydrophobicContact CB-CB 3.89Å; A175-L225 HydrophobicContact CB-CD1 4.08Å; A175-L226 HydrophobicContact CB-CD2 4.26Å; A175-L226 HydrophobicContact CB-CG 4.4Å
176	A	95.5	Very high	94.5	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-36.1	176	0	0	0	0	0	112.7	A136 F172 L173 A178 I179 F184	A136-A176 HydrophobicContact CB-CB 3.84Å; F172-A176 PolarHBondContact O-N 3.44Å; L173-A176 WeakPolarHBondContact O-CB 3.25Å; L173-A176 PolarHBondContact O-N 2.79Å; A176-A178 VanDerWaalsContact C-N 3.25Å; A176-A178 PolarHBondContact O-N 2.9Å; A176-I179 PolarHBondContact O-N 2.84Å; A176-I179 VanDerWaalsContact O-O 3.14Å; A176-F184 HydrophobicContact CB-CB 3.82Å; A176-F184 HydrophobicContact CB-CD1 3.49Å; A176-F184 VanDerWaalsContact CB-CD1 3.49Å; A176-F184 HydrophobicContact CB-CD2 3.84Å; A176-F184 HydrophobicContact CB-CE1 3.95Å; A176-F184 HydrophobicContact CB-CE2 4.3Å; A176-F184 HydrophobicContact CB-CG 3.43Å; A176-F184 VanDerWaalsContact CB-CG 3.43Å; A176-F184 HydrophobicContact CB-CZ 4.34Å
177	E	91.1	Very high	94.6	Very high	71 Å²	71	38 Å²	38	33%	0.332	20%	0.202	S	C	.	.	H	α-helix	trans	-66.5	-24.7	175.5	-71.2	-174.8	171.3	0	0	113.9	R106 A136 L173 A175	R106-E177 IonicContact CZ-OE1 2.79Å; R106-E177 IonicContact CZ-OE2 2.69Å; R106-E177 VanDerWaalsContact NE-CD 3.28Å; R106-E177 IonicContact NE-OE1 3.68Å; R106-E177 IonicContact NE-OE2 2.78Å; R106-E177 PolarHBondContact NE-OE2 3.45Å; R106-E177 IonicContact NH2-OE1 2.68Å; R106-E177 PolarHBondContact NH2-OE1 2.85Å; R106-E177 IonicContact NH2-OE2 3.84Å; A136-E177 HydrophobicContact CB-CB 4.48Å; A136-E177 HydrophobicContact CB-CG 3.45Å; A136-E177 VanDerWaalsContact CB-CG 3.45Å; L173-E177 WeakPolarHBondContact O-CG 3.18Å; L173-E177 PolarHBondContact O-N 3.42Å; A175-E177 VanDerWaalsContact C-N 3.3Å; A175-E177 PolarHBondContact O-N 2.72Å
178	A	89.7	Confident	94.6	Very high	36 Å²	36	35.6 Å²	35.6	30%	0.298	19%	0.194	S	C	.	.	H	α-helix	trans	-84.2	-20.2	-177.8	0	0	0	0	0	113	K114 A175 A176 L226	K114-A178 PolarHBondContact NZ-O 2.79Å; A175-A178 PolarHBondContact O-N 2.69Å; A175-A178 VanDerWaalsContact O-N 3.12Å; A176-A178 VanDerWaalsContact C-N 3.25Å; A176-A178 PolarHBondContact O-N 2.9Å; A178-L226 HydrophobicContact CB-CD1 4.36Å; A178-L226 HydrophobicContact CB-CD2 4.11Å
179	I	89	Confident	94.6	Very high	29 Å²	29	35.7 Å²	35.7	15%	0.149	19%	0.192	C	C	.	.			trans	-109.9	118.3	-174.5	-64.4	168.8	0	0	0	110	A176 D181 I182 F184 L226 I229	A176-I179 PolarHBondContact O-N 2.84Å; A176-I179 VanDerWaalsContact O-O 3.14Å; I179-D181 WeakPolarHBondContact CG2-OD1 3.35Å; I179-I182 HydrophobicContact CG2-CB 3.78Å; I179-I182 HydrophobicContact CG2-CD1 4.12Å; I179-I182 HydrophobicContact CG2-CG1 3.95Å; I179-F184 HydrophobicContact CB-CE2 3.8Å; I179-F184 HydrophobicContact CB-CZ 4.09Å; I179-F184 HydrophobicContact CD1-CE2 4.37Å; I179-F184 HydrophobicContact CD1-CZ 3.8Å; I179-F184 HydrophobicContact CG2-CE2 3.87Å; I179-F184 HydrophobicContact CG2-CZ 4.34Å; I179-L226 HydrophobicContact CD1-CD2 3.46Å; I179-L226 VanDerWaalsContact CD1-CD2 3.46Å; I179-L226 HydrophobicContact CG1-CD2 3.72Å; I179-I229 HydrophobicContact CD1-CB 4.22Å; I179-I229 HydrophobicContact CD1-CD1 3.72Å; I179-I229 HydrophobicContact CD1-CG2 3.9Å
180	D	82.6	Confident	94.5	Very high	61 Å²	61	38.7 Å²	38.7	33%	0.326	21%	0.212	S	C	.	.	S	Bend	trans	-94	-27.1	-175.1	-72.6	-83.4	0	0	0	113.9	K114 R132	K114-D180 WeakPolarHBondContact CD-OD2 3.32Å; K114-D180 WeakPolarHBondContact CE-OD2 3.38Å; K114-D180 IonicContact NZ-OD2 2.69Å; K114-D180 PolarHBondContact NZ-OD2 2.87Å; R132-D180 IonicContact CZ-OD1 3Å; R132-D180 IonicContact NE-OD1 4Å; R132-D180 PolarHBondContact NE-OD1 2.92Å; R132-D180 IonicContact NH2-OD1 2.71Å; R132-D180 PolarHBondContact NH2-OD1 2.8Å
181	D	84.1	Confident	94.5	Very high	89 Å²	89	39.5 Å²	39.5	48%	0.476	22%	0.221	S	C	.	.	S	Bend	trans	-98.8	-4.5	-167.1	64.2	-27.1	0	0	0	113.9	I179 K247	I179-D181 WeakPolarHBondContact CG2-OD1 3.35Å; D181-K247 VanDerWaalsContact OD2-CE 3.24Å; D181-K247 WeakPolarHBondContact OD2-CE 3.25Å; D181-K247 IonicContact OD2-NZ 2.72Å; D181-K247 PolarHBondContact OD2-NZ 3.14Å
182	I	92.8	Very high	94.5	Very high	11 Å²	11	37.5 Å²	37.5	6%	0.056	21%	0.212	C	C	.	.	S	Bend	trans	-116.6	127.5	176.6	-59.2	176.9	0	0	0	109.2	V155 V157 I179 F184 I229 Q233	V155-I182 HydrophobicContact CG1-CD1 4.06Å; V155-I182 HydrophobicContact CG1-CG1 4.44Å; V155-I182 HydrophobicContact CG1-CG2 4.15Å; V157-I182 HydrophobicContact CG2-CG2 3.88Å; I179-I182 HydrophobicContact CG2-CB 3.78Å; I179-I182 HydrophobicContact CG2-CD1 4.12Å; I179-I182 HydrophobicContact CG2-CG1 3.95Å; I182-F184 HydrophobicContact CB-CE2 4.07Å; I182-F184 HydrophobicContact CG2-CE2 4.19Å; I182-F184 WeakPolarHBondContact O-CD2 3.18Å; I182-F184 WeakPolarHBondContact O-CE2 3.23Å; I182-I229 HydrophobicContact CD1-CG2 3.53Å; I182-Q233 HydrophobicContact CD1-CB 4.08Å
183	P	94.7	Very high	94.5	Very high	36 Å²	36	37.6 Å²	37.6	23%	0.234	21%	0.212	C	C	.	.			trans	-71.1	132.6	171.7	29.1	-34.8	0	0	0	111.7	L149 S153 V155 A156 V157	L149-P183 HydrophobicContact CD1-CB 3.93Å; S153-P183 VanDerWaalsContact CB-CG 3.47Å; S153-P183 WeakPolarHBondContact OG-CD 3.39Å; V155-P183 VanDerWaalsContact O-CD 3.29Å; V155-P183 WeakPolarHBondContact O-CD 3.38Å; A156-P183 HydrophobicContact CB-CG 3.99Å; V157-P183 PolarHBondContact N-O 2.9Å
184	F	98	Very high	94.5	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.035	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	139.9	174.4	-72.9	-105.1	0	0	0	111.6	A137 T138 V157 F172 A176 I179 I182 I229	A137-F184 CarbonylContact C-O 3.55Å; A137-F184 WeakPolarHBondContact CA-O 3.31Å; A137-F184 HydrophobicContact CB-CB 3.78Å; T138-F184 PolarHBondContact N-O 2.79Å; V157-F184 HydrophobicContact CB-CD1 3.77Å; V157-F184 HydrophobicContact CB-CE1 3.71Å; V157-F184 HydrophobicContact CB-CG 4.4Å; V157-F184 HydrophobicContact CB-CZ 4.27Å; V157-F184 HydrophobicContact CG1-CD1 3.93Å; V157-F184 HydrophobicContact CG1-CE1 3.76Å; V157-F184 HydrophobicContact CG2-CE1 4.19Å; V157-F184 HydrophobicContact CG2-CZ 4.33Å; V157-F184 CarbonylContact O-C 3.53Å; V157-F184 VanDerWaalsContact O-CA 3.3Å; V157-F184 WeakPolarHBondContact O-CA 3.22Å; F172-F184 HydrophobicContact CE1-CD1 4.49Å; F172-F184 AromaticContact CE2-CD1 3.77Å; F172-F184 HydrophobicContact CE2-CD1 3.77Å; F172-F184 HydrophobicContact CE2-CE1 4.17Å; F172-F184 HydrophobicContact CZ-CB 4.44Å; F172-F184 AromaticContact CZ-CD1 3.64Å; F172-F184 HydrophobicContact CZ-CD1 3.64Å; F172-F184 HydrophobicContact CZ-CE1 4.48Å; A176-F184 HydrophobicContact CB-CB 3.82Å; A176-F184 HydrophobicContact CB-CD1 3.49Å; A176-F184 VanDerWaalsContact CB-CD1 3.49Å; A176-F184 HydrophobicContact CB-CD2 3.84Å; A176-F184 HydrophobicContact CB-CE1 3.95Å; A176-F184 HydrophobicContact CB-CE2 4.3Å; A176-F184 HydrophobicContact CB-CG 3.43Å; A176-F184 VanDerWaalsContact CB-CG 3.43Å; A176-F184 HydrophobicContact CB-CZ 4.34Å; I179-F184 HydrophobicContact CB-CE2 3.8Å; I179-F184 HydrophobicContact CB-CZ 4.09Å; I179-F184 HydrophobicContact CD1-CE2 4.37Å; I179-F184 HydrophobicContact CD1-CZ 3.8Å; I179-F184 HydrophobicContact CG2-CE2 3.87Å; I179-F184 HydrophobicContact CG2-CZ 4.34Å; I182-F184 HydrophobicContact CB-CE2 4.07Å; I182-F184 HydrophobicContact CG2-CE2 4.19Å; I182-F184 WeakPolarHBondContact O-CD2 3.18Å; I182-F184 WeakPolarHBondContact O-CE2 3.23Å; F184-I229 HydrophobicContact CE1-CD1 3.78Å; F184-I229 HydrophobicContact CZ-CD1 3.7Å
185	G	98.1	Very high	94.6	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	152.1	171.3	0	0	0	0	0	111.4	T138 L149 V157 I158 G159 F172	T138-G185 CarbonylContact O-C 3.47Å; T138-G185 VanDerWaalsContact O-CA 3.3Å; T138-G185 WeakPolarHBondContact O-CA 3.42Å; L149-G185 VanDerWaalsContact CD2-CA 3.5Å; V157-G185 PolarHBondContact O-N 2.95Å; I158-G185 CarbonylContact C-O 3.6Å; I158-G185 WeakPolarHBondContact CA-O 3.47Å; G159-G185 PolarHBondContact N-O 3.07Å; F172-G185 WeakPolarHBondContact CZ-O 3.38Å
186	I	98.6	Very high	94.7	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.046	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	138.7	173.8	-169.4	168.3	0	0	0	110.4	A137 T138 T139 L140 G159 F161 V164 A169 F172 L173	A137-I186 HydrophobicContact CB-CB 3.99Å; A137-I186 HydrophobicContact CB-CG2 4Å; T138-I186 PolarHBondContact O-N 3.09Å; T139-I186 CarbonylContact C-O 3.44Å; T139-I186 WeakPolarHBondContact CA-O 3.38Å; L140-I186 PolarHBondContact N-O 3.28Å; G159-I186 CarbonylContact O-C 3.53Å; G159-I186 WeakPolarHBondContact O-CA 3.43Å; F161-I186 HydrophobicContact CD2-CD1 3.96Å; F161-I186 HydrophobicContact CD2-CG1 4.12Å; V164-I186 HydrophobicContact CB-CD1 4.49Å; V164-I186 HydrophobicContact CG1-CD1 4.28Å; V164-I186 HydrophobicContact CG1-CG1 4.48Å; A169-I186 HydrophobicContact CB-CD1 4.43Å; F172-I186 HydrophobicContact CD1-CD1 4.26Å; F172-I186 HydrophobicContact CE1-CB 4.19Å; F172-I186 HydrophobicContact CE1-CD1 4.48Å; F172-I186 HydrophobicContact CE1-CG1 4.47Å; L173-I186 HydrophobicContact CD2-CD1 4.41Å
187	T	98.5	Very high	94.7	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	144.5	178.1	-165.8	0	0	0	0	112.6	L140 I158 G159 F160 F161 N189 V192 F193	L140-T187 WeakPolarHBondContact O-CB 3.47Å; L140-T187 PolarHBondContact O-OG1 3.15Å; I158-T187 HydrophobicContact CG2-CG2 4.47Å; G159-T187 PolarHBondContact O-N 2.93Å; F160-T187 HydrophobicContact CD1-CG2 3.55Å; F160-T187 HydrophobicContact CE1-CG2 3.95Å; F160-T187 HydrophobicContact CG-CG2 4.21Å; F161-T187 PolarHBondContact N-O 3.43Å; T187-N189 PolarHBondContact OG1-N 3.3Å; T187-V192 HydrophobicContact CG2-CB 3.93Å; T187-V192 HydrophobicContact CG2-CG1 3.87Å; T187-F193 HydrophobicContact CG2-CD2 4.33Å; T187-F193 HydrophobicContact CG2-CE2 4.18Å; T187-F193 WeakPolarHBondContact O-CE2 3.37Å
188	S	98	Very high	95	Very high	66 Å²	66	43.7 Å²	43.7	46%	0.462	25%	0.246	S	C	.	.			trans	-110.3	-2	167.6	58.1	0	0	0	0	112.7	F161 S190	F161-S188 WeakPolarHBondContact O-CA 3.34Å; F161-S188 WeakPolarHBondContact O-CB 3.36Å; S188-S190 PolarHBondContact O-N 2.98Å
189	N	97.7	Very high	94.9	Very high	46 Å²	46	48.8 Å²	48.8	25%	0.246	27%	0.269	C	S	.	.			trans	-76.9	118.4	-176.2	-178.1	-19.4	0	0	0	111.1	P141 T187 D191 V192 F193	P141-N189 PolarHBondContact O-ND2 3.34Å; T187-N189 PolarHBondContact OG1-N 3.3Å; N189-D191 PolarHBondContact O-N 2.81Å; N189-D191 VanDerWaalsContact O-N 3.16Å; N189-D191 WeakPolarHBondContact OD1-CB 3.48Å; N189-D191 PolarHBondContact OD1-N 3.48Å; N189-V192 HydrophobicContact CB-CG2 3.9Å; N189-V192 WeakPolarHBondContact O-CB 3.48Å; N189-V192 PolarHBondContact O-N 3.43Å; N189-F193 WeakPolarHBondContact O-CD2 3.3Å; N189-F193 PolarHBondContact O-N 3.46Å
190	S	96.4	Very high	95.2	Very high	62 Å²	62	54.3 Å²	54.3	43%	0.434	29%	0.292	S	S	.	.	H	α-helix	trans	-56.6	-28.5	179.9	49.2	0	0	0	0	114.9	S188 V192 F193 S194	S188-S190 PolarHBondContact O-N 2.98Å; S190-V192 VanDerWaalsContact C-N 3.31Å; S190-F193 WeakPolarHBondContact O-CB 3.34Å; S190-F193 PolarHBondContact O-N 3.08Å; S190-S194 PolarHBondContact O-N 3.38Å; S190-S194 PolarHBondContact O-OG 3.49Å
191	D	97.1	Very high	95.9	Very high	113 Å²	113	54 Å²	54	60%	0.604	29%	0.29	S	S	*	.	H	α-helix	trans	-68.6	-36	178.3	-62.1	-17.8	0	0	0	110.6	N189 S194 K195	N189-D191 PolarHBondContact O-N 2.81Å; N189-D191 VanDerWaalsContact O-N 3.16Å; N189-D191 WeakPolarHBondContact OD1-CB 3.48Å; N189-D191 PolarHBondContact OD1-N 3.48Å; D191-S194 PolarHBondContact O-N 3.21Å; D191-K195 WeakPolarHBondContact O-CB 3.5Å; D191-K195 PolarHBondContact O-N 2.81Å
192	V	97.9	Very high	96.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-70.6	-38.2	176.1	-165	0	0	0	0	110.5	D142 A146 F160 T187 N189 S190 S194 K195 Y196	D142-V192 VanDerWaalsContact C-CG2 3.44Å; A146-V192 HydrophobicContact CB-CG1 3.81Å; F160-V192 HydrophobicContact CE1-CG1 3.98Å; T187-V192 HydrophobicContact CG2-CB 3.93Å; T187-V192 HydrophobicContact CG2-CG1 3.87Å; N189-V192 HydrophobicContact CB-CG2 3.9Å; N189-V192 WeakPolarHBondContact O-CB 3.48Å; N189-V192 PolarHBondContact O-N 3.43Å; S190-V192 VanDerWaalsContact C-N 3.31Å; V192-S194 VanDerWaalsContact C-N 3.33Å; V192-S194 PolarHBondContact O-N 2.89Å; V192-K195 WeakPolarHBondContact O-CB 3.43Å; V192-K195 PolarHBondContact O-N 3.08Å; V192-Y196 HydrophobicContact CG1-CD2 4.14Å; V192-Y196 HydrophobicContact CG1-CE2 4.04Å; V192-Y196 WeakPolarHBondContact O-CD2 3.39Å; V192-Y196 PolarHBondContact O-N 3.11Å
193	F	98.2	Very high	96.8	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.009	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-48.3	171.6	-77.9	-122.8	0	0	0	110.7	F160 K162 T187 N189 S190 K195 Y196 Q197 L198	F160-F193 HydrophobicContact CB-CD1 4.1Å; F160-F193 HydrophobicContact CB-CD2 4.22Å; F160-F193 HydrophobicContact CB-CE1 3.73Å; F160-F193 HydrophobicContact CB-CE2 3.86Å; F160-F193 HydrophobicContact CB-CG 4.35Å; F160-F193 HydrophobicContact CB-CZ 3.62Å; F160-F193 AromaticContact CD1-CD2 3.81Å; F160-F193 HydrophobicContact CD1-CD2 3.81Å; F160-F193 HydrophobicContact CD1-CE2 4.17Å; F160-F193 HydrophobicContact CD1-CG 4.04Å; K162-F193 HydrophobicContact CD-CE1 3.95Å; K162-F193 HydrophobicContact CD-CE2 4.27Å; K162-F193 HydrophobicContact CD-CZ 3.71Å; K162-F193 VanDerWaalsContact CE-CE1 3.49Å; K162-F193 HydrophobicContact CG-CZ 4.38Å; K162-F193 VanDerWaalsContact NZ-CE1 3.3Å; K162-F193 VanDerWaalsContact NZ-CG 3.27Å; T187-F193 HydrophobicContact CG2-CD2 4.33Å; T187-F193 HydrophobicContact CG2-CE2 4.18Å; T187-F193 WeakPolarHBondContact O-CE2 3.37Å; N189-F193 WeakPolarHBondContact O-CD2 3.3Å; N189-F193 PolarHBondContact O-N 3.46Å; S190-F193 WeakPolarHBondContact O-CB 3.34Å; S190-F193 PolarHBondContact O-N 3.08Å; F193-K195 VanDerWaalsContact C-N 3.32Å; F193-K195 PolarHBondContact O-N 2.8Å; F193-Y196 CarbonylContact O-C 3.58Å; F193-Y196 PolarHBondContact O-N 3.36Å; F193-Q197 PolarHBondContact O-N 3.27Å; F193-Q197 VanDerWaalsContact O-N 3.08Å; F193-L198 HydrophobicContact CB-CB 4.44Å; F193-L198 HydrophobicContact CD1-CB 4.18Å; F193-L198 PolarHBondContact O-N 2.96Å
194	S	96.9	Very high	97	Very high	82 Å²	82	48.2 Å²	48.2	57%	0.573	26%	0.26	S	S	*	.	H	α-helix	trans	-63.6	-39.5	-178.3	-56.4	0	0	0	0	111.5	S190 D191 V192 Y196 Q197	S190-S194 PolarHBondContact O-N 3.38Å; S190-S194 PolarHBondContact O-OG 3.49Å; D191-S194 PolarHBondContact O-N 3.21Å; V192-S194 VanDerWaalsContact C-N 3.33Å; V192-S194 PolarHBondContact O-N 2.89Å; S194-Y196 VanDerWaalsContact C-N 3.26Å; S194-Y196 PolarHBondContact O-N 3.33Å; S194-Q197 PolarHBondContact O-N 3.11Å; S194-Q197 VanDerWaalsContact O-N 3.14Å
195	K	96.8	Very high	97.1	Very high	71 Å²	71	47.8 Å²	47.8	31%	0.309	26%	0.258	S	S	.	.	H	α-helix	trans	-57.4	-36.6	176	-176.6	170.2	-170.6	156.3	0	113.3	G143 E147 D191 V192 F193 Q197	G143-K195 PolarHBondContact O-NZ 2.81Å; E147-K195 VanDerWaalsContact CD-CE 3.49Å; E147-K195 WeakPolarHBondContact OE1-CE 3.38Å; E147-K195 IonicContact OE1-NZ 2.89Å; E147-K195 PolarHBondContact OE1-NZ 2.74Å; E147-K195 IonicContact OE2-NZ 2.75Å; E147-K195 PolarHBondContact OE2-NZ 3.3Å; D191-K195 WeakPolarHBondContact O-CB 3.5Å; D191-K195 PolarHBondContact O-N 2.81Å; V192-K195 WeakPolarHBondContact O-CB 3.43Å; V192-K195 PolarHBondContact O-N 3.08Å; F193-K195 VanDerWaalsContact C-N 3.32Å; F193-K195 PolarHBondContact O-N 2.8Å; K195-Q197 PolarHBondContact O-NE2 3.07Å
196	Y	96.7	Very high	97.1	Very high	24 Å²	24	48.5 Å²	48.5	9%	0.094	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	21.5	178.5	-61.8	-71.1	0	0	0	113.2	A146 F160 V192 F193 S194 L198 F206 R213	A146-Y196 HydrophobicContact CB-CE2 3.82Å; F160-Y196 AromaticContact CE1-CD2 3.72Å; F160-Y196 HydrophobicContact CE1-CD2 3.72Å; F160-Y196 HydrophobicContact CE1-CG 4.39Å; F160-Y196 AromaticContact CZ-CD2 3.51Å; F160-Y196 HydrophobicContact CZ-CD2 3.51Å; F160-Y196 HydrophobicContact CZ-CE2 4.29Å; F160-Y196 AromaticContact CZ-CG 3.97Å; F160-Y196 HydrophobicContact CZ-CG 3.97Å; V192-Y196 HydrophobicContact CG1-CD2 4.14Å; V192-Y196 HydrophobicContact CG1-CE2 4.04Å; V192-Y196 WeakPolarHBondContact O-CD2 3.39Å; V192-Y196 PolarHBondContact O-N 3.11Å; F193-Y196 CarbonylContact O-C 3.58Å; F193-Y196 PolarHBondContact O-N 3.36Å; S194-Y196 VanDerWaalsContact C-N 3.26Å; S194-Y196 PolarHBondContact O-N 3.33Å; Y196-L198 VanDerWaalsContact C-N 3.29Å; Y196-L198 PolarHBondContact O-N 3.24Å; Y196-F206 AromaticContact CD1-CE1 3.37Å; Y196-F206 HydrophobicContact CD1-CE1 3.37Å; Y196-F206 AromaticContact CD1-CZ 3.34Å; Y196-F206 HydrophobicContact CD1-CZ 3.34Å; Y196-F206 HydrophobicContact CD2-CZ 4.26Å; Y196-F206 HydrophobicContact CE1-CD1 4.31Å; Y196-F206 AromaticContact CE1-CE1 3.32Å; Y196-F206 HydrophobicContact CE1-CE1 3.32Å; Y196-F206 HydrophobicContact CE1-CE2 4.46Å; Y196-F206 AromaticContact CE1-CZ 3.41Å; Y196-F206 HydrophobicContact CE1-CZ 3.41Å; Y196-F206 VanDerWaalsContact CE1-CZ 3.41Å; Y196-F206 HydrophobicContact CE2-CZ 4.33Å; Y196-F206 HydrophobicContact CG-CE1 4.25Å; Y196-F206 AromaticContact CG-CZ 3.77Å; Y196-F206 HydrophobicContact CG-CZ 3.77Å; Y196-F206 AromaticContact CZ-CZ 3.92Å; Y196-R213 VanDerWaalsContact O-CZ 3.27Å; Y196-R213 PolarHBondContact O-NH1 3.43Å; Y196-R213 VanDerWaalsContact O-NH1 3.07Å; Y196-R213 PolarHBondContact O-NH2 3.28Å
197	Q	96.6	Very high	96.9	Very high	139 Å²	139	48.6 Å²	48.6	65%	0.65	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	40.1	173.8	-56.7	73.8	46.6	0	0	113.4	F193 S194 K195	F193-Q197 PolarHBondContact O-N 3.27Å; F193-Q197 VanDerWaalsContact O-N 3.08Å; S194-Q197 PolarHBondContact O-N 3.11Å; S194-Q197 VanDerWaalsContact O-N 3.14Å; K195-Q197 PolarHBondContact O-NE2 3.07Å
198	L	95.9	Very high	96.8	Very high	31 Å²	31	53.7 Å²	53.7	16%	0.162	28%	0.283	C	S	.	.			trans	-103.3	135.1	169.4	-69.8	-165.4	0	0	0	111.6	F160 F193 Y196 V204	F160-L198 HydrophobicContact CB-CD1 3.73Å; F160-L198 HydrophobicContact CD1-CD1 4.22Å; F160-L198 HydrophobicContact CD2-CD1 3.53Å; F160-L198 HydrophobicContact CE2-CD1 4.15Å; F160-L198 HydrophobicContact CG-CD1 3.58Å; F193-L198 HydrophobicContact CB-CB 4.44Å; F193-L198 HydrophobicContact CD1-CB 4.18Å; F193-L198 PolarHBondContact O-N 2.96Å; Y196-L198 VanDerWaalsContact C-N 3.29Å; Y196-L198 PolarHBondContact O-N 3.24Å; L198-V204 HydrophobicContact CD1-CG2 4.06Å; L198-V204 HydrophobicContact CG-CG2 4.47Å
199	D	89.1	Confident	96.4	Very high	144 Å²	144	52 Å²	52	77%	0.77	27%	0.267	S	S	*	.	S	Bend	trans	-103.6	-16.7	176.8	62.3	-11.1	0	0	0	113.3
200	K	94.6	Very high	96.1	Very high	144 Å²	144	52.5 Å²	52.5	63%	0.626	27%	0.27	S	S	*	.	S	Bend	trans	-141.1	178.5	-179.7	66.8	-169.5	169.1	68.7	0	111.2
201	D	97.8	Very high	95.8	Very high	56 Å²	56	54.7 Å²	54.7	30%	0.299	27%	0.273	S	S	.	.	S	Bend	trans	-60.5	143.2	175	-72.1	4.2	0	0	0	111.3	F160 F161 K162	F160-D201 CarbonylContact O-C 3.58Å; F160-D201 WeakPolarHBondContact O-CA 3.43Å; F160-D201 WeakPolarHBondContact O-CB 3.46Å; F161-D201 WeakPolarHBondContact CA-OD1 3.43Å; F161-D201 HydrophobicContact CD1-CB 3.94Å; F161-D201 HydrophobicContact CE1-CB 4.41Å; K162-D201 WeakPolarHBondContact CG-OD1 3.31Å; K162-D201 PolarHBondContact N-OD1 3.01Å
202	G	97.5	Very high	95.7	Very high	10 Å²	10	50.6 Å²	50.6	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	175.6	-175.8	0	0	0	0	0	113.5	F160	F160-G202 PolarHBondContact N-O 3.04Å; F160-G202 PolarHBondContact O-N 2.98Å
203	V	98.7	Very high	95.7	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.5	179.1	179.9	0	0	0	0	108.7	V157 I158 F161 F172 F216 L225	V157-V203 HydrophobicContact CG1-CG1 3.56Å; I158-V203 WeakPolarHBondContact O-CA 3.36Å; F161-V203 HydrophobicContact CE2-CG2 4.37Å; F161-V203 HydrophobicContact CZ-CG2 3.94Å; F172-V203 HydrophobicContact CD2-CG1 4.13Å; F172-V203 HydrophobicContact CD2-CG2 3.67Å; F172-V203 HydrophobicContact CE2-CG1 3.89Å; F172-V203 HydrophobicContact CE2-CG2 4.15Å; F172-V203 HydrophobicContact CG-CG2 4.47Å; V203-F216 HydrophobicContact CB-CB 3.91Å; V203-F216 HydrophobicContact CB-CG 4.5Å; V203-F216 VanDerWaalsContact O-CB 3.3Å; V203-F216 WeakPolarHBondContact O-CB 3.34Å; V203-F216 PolarHBondContact O-N 2.84Å; V203-L225 HydrophobicContact CB-CD2 4Å; V203-L225 HydrophobicContact CG1-CD2 4.11Å; V203-L225 HydrophobicContact CG2-CD1 4.5Å; V203-L225 HydrophobicContact CG2-CD2 3.82Å
204	V	98.6	Very high	95.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.8	177.3	-174.1	0	0	0	0	109.1	V157 I158 F160 L198 F206 R213	V157-V204 WeakPolarHBondContact CA-O 3.34Å; I158-V204 PolarHBondContact N-O 2.66Å; I158-V204 PolarHBondContact O-N 3.39Å; F160-V204 HydrophobicContact CD2-CG2 4.15Å; F160-V204 HydrophobicContact CE2-CB 3.95Å; F160-V204 HydrophobicContact CE2-CG2 3.67Å; L198-V204 HydrophobicContact CD1-CG2 4.06Å; L198-V204 HydrophobicContact CG-CG2 4.47Å; V204-F206 HydrophobicContact CB-CE2 3.82Å; V204-F206 HydrophobicContact CB-CZ 3.93Å; V204-F206 HydrophobicContact CG1-CD1 4.39Å; V204-F206 HydrophobicContact CG1-CD2 4.22Å; V204-F206 HydrophobicContact CG1-CE1 3.85Å; V204-F206 HydrophobicContact CG1-CE2 3.67Å; V204-F206 HydrophobicContact CG1-CZ 3.47Å; V204-F206 VanDerWaalsContact CG1-CZ 3.47Å; V204-R213 HydrophobicContact CG1-CG 3.64Å
205	L	98.4	Very high	95.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.3	168.1	-178.7	153.5	0	0	0	108.4	V155 V157 K207 R213 N214 F228 I229 N232	V155-L205 HydrophobicContact CG1-CD1 4.04Å; V155-L205 HydrophobicContact CG1-CD2 4.06Å; V155-L205 HydrophobicContact CG1-CG 3.93Å; V157-L205 HydrophobicContact CG2-CB 4.26Å; V157-L205 HydrophobicContact CG2-CD1 4.16Å; V157-L205 HydrophobicContact CG2-CG 4.14Å; L205-K207 HydrophobicContact CD2-CB 4.04Å; L205-K207 HydrophobicContact CD2-CD 3.8Å; L205-K207 HydrophobicContact CD2-CG 4.11Å; L205-R213 CarbonylContact O-C 3.54Å; L205-R213 VanDerWaalsContact O-CA 3.32Å; L205-R213 WeakPolarHBondContact O-CA 3.4Å; L205-N214 PolarHBondContact N-O 2.96Å; L205-N214 PolarHBondContact O-N 3.45Å; L205-F228 HydrophobicContact CB-CE1 3.78Å; L205-F228 HydrophobicContact CB-CZ 3.83Å; L205-I229 HydrophobicContact CD1-CB 4.48Å; L205-I229 HydrophobicContact CD1-CG1 4.38Å; L205-I229 HydrophobicContact CD1-CG2 4.26Å; L205-N232 HydrophobicContact CD1-CB 4.15Å; L205-N232 HydrophobicContact CD2-CB 4.46Å
206	F	98.3	Very high	95.7	Very high	14 Å²	14	52.1 Å²	52.1	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	142.9	173.1	-59.7	-85.8	0	0	0	109.1	V150 V155 A156 I158 Y196 V204 R213	V150-F206 HydrophobicContact CB-CB 4.36Å; V150-F206 HydrophobicContact CB-CG 4.49Å; V150-F206 HydrophobicContact CG1-CB 3.57Å; V150-F206 HydrophobicContact CG1-CD1 4.33Å; V150-F206 HydrophobicContact CG1-CG 3.98Å; V150-F206 HydrophobicContact CG2-CB 3.88Å; V150-F206 HydrophobicContact CG2-CD1 4.23Å; V150-F206 HydrophobicContact CG2-CD2 3.56Å; V150-F206 HydrophobicContact CG2-CE2 4.15Å; V150-F206 HydrophobicContact CG2-CG 3.61Å; V155-F206 CarbonylContact C-O 3.57Å; V155-F206 VanDerWaalsContact CA-O 3.3Å; V155-F206 WeakPolarHBondContact CA-O 3.48Å; A156-F206 PolarHBondContact N-O 3.02Å; A156-F206 PolarHBondContact O-N 2.69Å; I158-F206 HydrophobicContact CB-CE2 4.06Å; I158-F206 HydrophobicContact CD1-CD2 4.22Å; I158-F206 HydrophobicContact CD1-CE2 3.77Å; I158-F206 HydrophobicContact CG1-CD2 4.24Å; I158-F206 HydrophobicContact CG1-CE2 3.94Å; Y196-F206 AromaticContact CD1-CE1 3.37Å; Y196-F206 HydrophobicContact CD1-CE1 3.37Å; Y196-F206 AromaticContact CD1-CZ 3.34Å; Y196-F206 HydrophobicContact CD1-CZ 3.34Å; Y196-F206 HydrophobicContact CD2-CZ 4.26Å; Y196-F206 HydrophobicContact CE1-CD1 4.31Å; Y196-F206 AromaticContact CE1-CE1 3.32Å; Y196-F206 HydrophobicContact CE1-CE1 3.32Å; Y196-F206 HydrophobicContact CE1-CE2 4.46Å; Y196-F206 AromaticContact CE1-CZ 3.41Å; Y196-F206 HydrophobicContact CE1-CZ 3.41Å; Y196-F206 VanDerWaalsContact CE1-CZ 3.41Å; Y196-F206 HydrophobicContact CE2-CZ 4.33Å; Y196-F206 HydrophobicContact CG-CE1 4.25Å; Y196-F206 AromaticContact CG-CZ 3.77Å; Y196-F206 HydrophobicContact CG-CZ 3.77Å; Y196-F206 AromaticContact CZ-CZ 3.92Å; V204-F206 HydrophobicContact CB-CE2 3.82Å; V204-F206 HydrophobicContact CB-CZ 3.93Å; V204-F206 HydrophobicContact CG1-CD1 4.39Å; V204-F206 HydrophobicContact CG1-CD2 4.22Å; V204-F206 HydrophobicContact CG1-CE1 3.85Å; V204-F206 HydrophobicContact CG1-CE2 3.67Å; V204-F206 HydrophobicContact CG1-CZ 3.47Å; V204-F206 VanDerWaalsContact CG1-CZ 3.47Å; F206-R213 HydrophobicContact CE1-CG 4.43Å
207	K	96.2	Very high	95.6	Very high	12 Å²	12	59.3 Å²	59.3	5%	0.052	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	152	-177.1	58	-169.1	-162.3	-179	0	110.9	E154 V155 L205 F209 E211 G212 N214	E154-K207 CarbonylContact O-C 3.51Å; E154-K207 WeakPolarHBondContact O-CA 3.41Å; V155-K207 HydrophobicContact CG2-CB 4.15Å; L205-K207 HydrophobicContact CD2-CB 4.04Å; L205-K207 HydrophobicContact CD2-CD 3.8Å; L205-K207 HydrophobicContact CD2-CG 4.11Å; K207-F209 VanDerWaalsContact C-N 3.29Å; K207-F209 HydrophobicContact CB-CD1 4.41Å; K207-F209 HydrophobicContact CB-CD2 4.4Å; K207-F209 HydrophobicContact CB-CE1 4.04Å; K207-F209 HydrophobicContact CB-CE2 4.07Å; K207-F209 HydrophobicContact CB-CZ 3.85Å; K207-F209 HydrophobicContact CD-CD2 3.93Å; K207-F209 HydrophobicContact CD-CE2 3.51Å; K207-F209 HydrophobicContact CD-CZ 4.06Å; K207-F209 WeakPolarHBondContact CE-O 3.49Å; K207-F209 HydrophobicContact CG-CD2 4.27Å; K207-F209 HydrophobicContact CG-CE2 4.12Å; K207-F209 HydrophobicContact CG-CZ 4.41Å; K207-F209 PolarHBondContact O-N 2.83Å; K207-E211 VanDerWaalsContact CE-OE2 3.31Å; K207-E211 WeakPolarHBondContact CE-OE2 3.47Å; K207-E211 IonicContact NZ-OE2 3.15Å; K207-E211 PolarHBondContact NZ-OE2 2.99Å; K207-G212 PolarHBondContact N-O 2.98Å; K207-G212 CarbonylContact O-C 3.43Å; K207-G212 WeakPolarHBondContact O-CA 3.42Å; K207-G212 VanDerWaalsContact O-O 3.06Å; K207-N214 WeakPolarHBondContact CE-OD1 3.2Å; K207-N214 PolarHBondContact NZ-OD1 2.88Å
208	K	95	Very high	95.5	Very high	109 Å²	109	55.8 Å²	55.8	47%	0.474	29%	0.294	S	S	.	.	S	Bend	trans	-88.6	10	-179.2	-61.7	-169.5	-179.3	-174.3	0	114.3	E151 S153 E154	E151-K208 PolarHBondContact O-NZ 3.13Å; E151-K208 IonicContact OE1-NZ 2.7Å; E151-K208 PolarHBondContact OE1-NZ 2.8Å; S153-K208 VanDerWaalsContact O-CE 3.28Å; S153-K208 WeakPolarHBondContact O-CE 3.26Å; E154-K208 HydrophobicContact CG-CB 4.24Å; E154-K208 PolarHBondContact O-N 3.25Å
209	F	91.1	Very high	95.6	Very high	30 Å²	30	61.3 Å²	61.3	13%	0.132	32%	0.318	C	S	.	.	S	Bend	trans	-132.2	166.6	-178.4	51	-100.5	0	0	0	111.7	E154 V155 K207 E211 G212 Q233 L234 P235	E154-F209 HydrophobicContact CG-CD1 4.06Å; E154-F209 HydrophobicContact CG-CE1 4.05Å; V155-F209 HydrophobicContact CG2-CE1 3.77Å; V155-F209 HydrophobicContact CG2-CZ 3.8Å; K207-F209 VanDerWaalsContact C-N 3.29Å; K207-F209 HydrophobicContact CB-CD1 4.41Å; K207-F209 HydrophobicContact CB-CD2 4.4Å; K207-F209 HydrophobicContact CB-CE1 4.04Å; K207-F209 HydrophobicContact CB-CE2 4.07Å; K207-F209 HydrophobicContact CB-CZ 3.85Å; K207-F209 HydrophobicContact CD-CD2 3.93Å; K207-F209 HydrophobicContact CD-CE2 3.51Å; K207-F209 HydrophobicContact CD-CZ 4.06Å; K207-F209 WeakPolarHBondContact CE-O 3.49Å; K207-F209 HydrophobicContact CG-CD2 4.27Å; K207-F209 HydrophobicContact CG-CE2 4.12Å; K207-F209 HydrophobicContact CG-CZ 4.41Å; K207-F209 PolarHBondContact O-N 2.83Å; F209-E211 PolarHBondContact O-N 2.78Å; F209-G212 PolarHBondContact O-N 2.89Å; F209-Q233 WeakPolarHBondContact CZ-O 3.44Å; F209-L234 VanDerWaalsContact CE2-C 3.44Å; F209-P235 HydrophobicContact CB-CB 4.31Å; F209-P235 HydrophobicContact CD1-CB 4.35Å; F209-P235 VanDerWaalsContact CD2-CA 3.43Å; F209-P235 HydrophobicContact CD2-CB 3.62Å; F209-P235 HydrophobicContact CE2-CB 3.93Å; F209-P235 VanDerWaalsContact CE2-N 3.28Å; F209-P235 HydrophobicContact CG-CB 3.84Å; F209-P235 HydrophobicContact CZ-CB 4.46Å
210	D	89.7	Confident	96	Very high	56 Å²	56	55.5 Å²	55.5	30%	0.299	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	-125.1	179.4	-58.3	-41	0	0	0	113.9	G212 P235 L236 K276	D210-G212 PolarHBondContact O-N 2.81Å; D210-P235 WeakPolarHBondContact OD2-CA 3.38Å; D210-L236 PolarHBondContact OD2-N 2.78Å; D210-K276 WeakPolarHBondContact OD1-CE 3.5Å; D210-K276 IonicContact OD1-NZ 2.67Å; D210-K276 PolarHBondContact OD1-NZ 2.97Å
211	E	91.2	Very high	96.1	Very high	108 Å²	108	49.6 Å²	49.6	51%	0.505	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-5.1	-176.9	-45.3	87.9	170.9	0	0	112.7	K207 F209 R213 K283	K207-E211 VanDerWaalsContact CE-OE2 3.31Å; K207-E211 WeakPolarHBondContact CE-OE2 3.47Å; K207-E211 IonicContact NZ-OE2 3.15Å; K207-E211 PolarHBondContact NZ-OE2 2.99Å; F209-E211 PolarHBondContact O-N 2.78Å; E211-R213 PolarHBondContact O-N 3.29Å; E211-K283 IonicContact OE1-NZ 3.82Å; E211-K283 PolarHBondContact OE1-NZ 3.35Å; E211-K283 IonicContact OE2-NZ 2.76Å
212	G	95.3	Very high	96.1	Very high	28 Å²	28	50.4 Å²	50.4	29%	0.289	27%	0.265	S	S	.	.	S	Bend	trans	72.1	-16.3	179.1	0	0	0	0	0	115.4	K207 F209 D210	K207-G212 PolarHBondContact N-O 2.98Å; K207-G212 CarbonylContact O-C 3.43Å; K207-G212 WeakPolarHBondContact O-CA 3.42Å; K207-G212 VanDerWaalsContact O-O 3.06Å; F209-G212 PolarHBondContact O-N 2.89Å; D210-G212 PolarHBondContact O-N 2.81Å
213	R	96.7	Very high	96	Very high	59 Å²	59	55.2 Å²	55.2	22%	0.223	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	141.5	-173.8	176.5	-177.8	170.3	174.2	2	111.6	Y196 V204 L205 F206 E211 N215	Y196-R213 VanDerWaalsContact O-CZ 3.27Å; Y196-R213 PolarHBondContact O-NH1 3.43Å; Y196-R213 VanDerWaalsContact O-NH1 3.07Å; Y196-R213 PolarHBondContact O-NH2 3.28Å; V204-R213 HydrophobicContact CG1-CG 3.64Å; L205-R213 CarbonylContact O-C 3.54Å; L205-R213 VanDerWaalsContact O-CA 3.32Å; L205-R213 WeakPolarHBondContact O-CA 3.4Å; F206-R213 HydrophobicContact CE1-CG 4.43Å; E211-R213 PolarHBondContact O-N 3.29Å; R213-N215 PolarHBondContact NE-OD1 2.69Å; R213-N215 PolarHBondContact NH2-ND2 2.94Å; R213-N215 PolarHBondContact NH2-OD1 3.41Å
214	N	96.8	Very high	95.9	Very high	27 Å²	27	58.1 Å²	58.1	14%	0.144	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.9	166.3	-63.7	97.7	0	0	0	109.6	L205 K207 F228 N232	L205-N214 PolarHBondContact N-O 2.96Å; L205-N214 PolarHBondContact O-N 3.45Å; K207-N214 WeakPolarHBondContact CE-OD1 3.2Å; K207-N214 PolarHBondContact NZ-OD1 2.88Å; N214-F228 HydrophobicContact CB-CE2 3.92Å; N214-F228 HydrophobicContact CB-CZ 3.9Å; N214-F228 WeakPolarHBondContact O-CZ 3.47Å; N214-N232 HydrophobicContact CB-CB 4.24Å; N214-N232 VanDerWaalsContact CG-OD1 3.31Å; N214-N232 PolarHBondContact ND2-OD1 3Å
215	N	97.5	Very high	95.9	Very high	73 Å²	73	58.1 Å²	58.1	39%	0.39	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	135.7	172	-70	-14.6	0	0	0	109.1	R213	R213-N215 PolarHBondContact NE-OD1 2.69Å; R213-N215 PolarHBondContact NH2-ND2 2.94Å; R213-N215 PolarHBondContact NH2-OD1 3.41Å
216	F	97.8	Very high	95.7	Very high	28 Å²	28	60.4 Å²	60.4	12%	0.123	31%	0.312	C	S	.	.			trans	-71.8	133.7	170	179.5	-102.7	0	0	0	110.1	V203 E219 V220 N224 L225 F228	V203-F216 HydrophobicContact CB-CB 3.91Å; V203-F216 HydrophobicContact CB-CG 4.5Å; V203-F216 VanDerWaalsContact O-CB 3.3Å; V203-F216 WeakPolarHBondContact O-CB 3.34Å; V203-F216 PolarHBondContact O-N 2.84Å; F216-E219 VanDerWaalsContact CZ-O 3.29Å; F216-E219 WeakPolarHBondContact CZ-O 3.48Å; F216-V220 HydrophobicContact CD1-CG2 4.18Å; F216-V220 HydrophobicContact CE1-CG2 3.9Å; F216-N224 HydrophobicContact CE2-CB 4.06Å; F216-N224 HydrophobicContact CZ-CB 3.84Å; F216-L225 HydrophobicContact CD1-CD2 4.11Å; F216-L225 HydrophobicContact CD2-CD2 3.85Å; F216-L225 HydrophobicContact CE1-CD2 4.24Å; F216-L225 HydrophobicContact CE2-CD2 3.98Å; F216-L225 HydrophobicContact CG-CD2 3.9Å; F216-L225 HydrophobicContact CZ-CD2 4.18Å; F216-F228 HydrophobicContact CB-CD1 4.23Å; F216-F228 HydrophobicContact CB-CE1 4.1Å; F216-F228 HydrophobicContact CB-CE2 4.44Å; F216-F228 HydrophobicContact CB-CG 4.48Å; F216-F228 HydrophobicContact CB-CZ 4.21Å; F216-F228 HydrophobicContact CD2-CB 3.68Å; F216-F228 AromaticContact CD2-CD1 3.89Å; F216-F228 HydrophobicContact CD2-CD1 3.89Å; F216-F228 HydrophobicContact CD2-CD2 4.02Å; F216-F228 AromaticContact CD2-CG 3.59Å; F216-F228 HydrophobicContact CD2-CG 3.59Å; F216-F228 HydrophobicContact CE2-CB 3.97Å; F216-F228 HydrophobicContact CE2-CG 4.38Å
217	E	95.2	Very high	95.4	Very high	174 Å²	174	63.7 Å²	63.7	81%	0.813	33%	0.331	S	S	*	.			trans	-124.4	137.3	173.8	-62.5	-171	166	0	0	109.2
218	G	94.8	Very high	95.3	Very high	66 Å²	66	64.3 Å²	64.3	68%	0.68	33%	0.333	S	S	*	.	S	Bend	trans	116.4	-164.9	-178.9	0	0	0	0	0	113.6
219	E	96.7	Very high	95.3	Very high	146 Å²	146	59.2 Å²	59.2	68%	0.682	31%	0.311	S	S	*	.			trans	-79.9	130.6	179.3	-172.7	177.9	169.6	0	0	111	F216 T221 N224	F216-E219 VanDerWaalsContact CZ-O 3.29Å; F216-E219 WeakPolarHBondContact CZ-O 3.48Å; E219-T221 HydrophobicContact CG-CG2 4.06Å; E219-T221 PolarHBondContact O-N 3.29Å; E219-N224 PolarHBondContact O-ND2 2.98Å
220	V	97.9	Very high	95.1	Very high	22 Å²	22	61.5 Å²	61.5	13%	0.133	32%	0.321	C	S	.	.			trans	-80.4	90.7	-177.4	-175.3	0	0	0	0	110.1	F161 F216 L225	F161-V220 HydrophobicContact CE1-CG1 4.36Å; F161-V220 HydrophobicContact CZ-CG1 4.14Å; F216-V220 HydrophobicContact CD1-CG2 4.18Å; F216-V220 HydrophobicContact CE1-CG2 3.9Å; V220-L225 HydrophobicContact CG1-CD1 3.9Å; V220-L225 HydrophobicContact CG1-CG 4.39Å
221	T	98	Very high	94.9	Very high	21 Å²	21	63.7 Å²	63.7	13%	0.129	33%	0.329	C	S	.	.			trans	-119	159.1	170	70.7	0	0	0	0	110.4	E219 E223 N224 L225	E219-T221 HydrophobicContact CG-CG2 4.06Å; E219-T221 PolarHBondContact O-N 3.29Å; T221-E223 VanDerWaalsContact C-N 3.27Å; T221-E223 PolarHBondContact O-N 3.49Å; T221-N224 PolarHBondContact O-N 3.27Å; T221-N224 WeakPolarHBondContact OG1-CB 3.43Å; T221-N224 VanDerWaalsContact OG1-CG 3.23Å; T221-N224 PolarHBondContact OG1-N 3.49Å; T221-N224 PolarHBondContact OG1-ND2 2.96Å; T221-L225 WeakPolarHBondContact O-CB 3.42Å; T221-L225 VanDerWaalsContact O-CG 3.26Å; T221-L225 WeakPolarHBondContact O-CG 3.49Å; T221-L225 PolarHBondContact O-N 3.26Å; T221-L225 VanDerWaalsContact O-N 3.09Å
222	K	96.4	Very high	94.8	Very high	72 Å²	72	59.9 Å²	59.9	31%	0.313	31%	0.312	S	S	.	.	H	α-helix	trans	-52	-47.9	175.2	-179.9	-170.7	177.8	-175.1	0	111.2	Q174 A175 L225 L226	Q174-K222 HydrophobicContact CB-CB 4.44Å; Q174-K222 HydrophobicContact CB-CD 4.18Å; Q174-K222 HydrophobicContact CB-CG 4.28Å; A175-K222 HydrophobicContact CB-CG 4.39Å; K222-L225 PolarHBondContact O-N 3.28Å; K222-L226 HydrophobicContact CG-CD1 4.11Å; K222-L226 HydrophobicContact CG-CG 4.47Å; K222-L226 VanDerWaalsContact O-CG 3.29Å; K222-L226 WeakPolarHBondContact O-CG 3.5Å; K222-L226 PolarHBondContact O-N 2.86Å
223	E	95.9	Very high	94.5	Very high	111 Å²	111	60.2 Å²	60.2	52%	0.519	31%	0.307	S	S	.	.	H	α-helix	trans	-63.7	-51.2	-175.6	-61.7	70	-150.3	0	0	111.2	T221 L225 L226 D227	T221-E223 VanDerWaalsContact C-N 3.27Å; T221-E223 PolarHBondContact O-N 3.49Å; E223-L225 VanDerWaalsContact C-N 3.26Å; E223-L225 PolarHBondContact O-N 3.39Å; E223-L226 PolarHBondContact O-N 3.02Å; E223-L226 VanDerWaalsContact O-N 3.17Å; E223-D227 PolarHBondContact O-N 3.4Å
224	N	97.1	Very high	94	Very high	64 Å²	64	59.2 Å²	59.2	34%	0.342	31%	0.305	S	S	.	.	H	α-helix	trans	-62.3	-35.3	-179.3	-66.5	-16.5	0	0	0	111.9	F216 E219 T221 F228	F216-N224 HydrophobicContact CE2-CB 4.06Å; F216-N224 HydrophobicContact CZ-CB 3.84Å; E219-N224 PolarHBondContact O-ND2 2.98Å; T221-N224 PolarHBondContact O-N 3.27Å; T221-N224 WeakPolarHBondContact OG1-CB 3.43Å; T221-N224 VanDerWaalsContact OG1-CG 3.23Å; T221-N224 PolarHBondContact OG1-N 3.49Å; T221-N224 PolarHBondContact OG1-ND2 2.96Å; N224-F228 WeakPolarHBondContact O-CB 3.21Å; N224-F228 PolarHBondContact O-N 2.85Å
225	L	98	Very high	93.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-70.9	-41.6	176.8	-70.7	177.6	0	0	0	112.1	F172 A175 V203 F216 V220 T221 K222 E223 D227 F228 I229	F172-L225 HydrophobicContact CB-CD1 3.99Å; F172-L225 HydrophobicContact CD2-CD1 4.03Å; A175-L225 HydrophobicContact CB-CB 3.89Å; A175-L225 HydrophobicContact CB-CD1 4.08Å; V203-L225 HydrophobicContact CB-CD2 4Å; V203-L225 HydrophobicContact CG1-CD2 4.11Å; V203-L225 HydrophobicContact CG2-CD1 4.5Å; V203-L225 HydrophobicContact CG2-CD2 3.82Å; F216-L225 HydrophobicContact CD1-CD2 4.11Å; F216-L225 HydrophobicContact CD2-CD2 3.85Å; F216-L225 HydrophobicContact CE1-CD2 4.24Å; F216-L225 HydrophobicContact CE2-CD2 3.98Å; F216-L225 HydrophobicContact CG-CD2 3.9Å; F216-L225 HydrophobicContact CZ-CD2 4.18Å; V220-L225 HydrophobicContact CG1-CD1 3.9Å; V220-L225 HydrophobicContact CG1-CG 4.39Å; T221-L225 WeakPolarHBondContact O-CB 3.42Å; T221-L225 VanDerWaalsContact O-CG 3.26Å; T221-L225 WeakPolarHBondContact O-CG 3.49Å; T221-L225 PolarHBondContact O-N 3.26Å; T221-L225 VanDerWaalsContact O-N 3.09Å; K222-L225 PolarHBondContact O-N 3.28Å; E223-L225 VanDerWaalsContact C-N 3.26Å; E223-L225 PolarHBondContact O-N 3.39Å; L225-D227 VanDerWaalsContact C-N 3.34Å; L225-F228 PolarHBondContact O-N 3.48Å; L225-I229 WeakPolarHBondContact O-CB 3.48Å; L225-I229 WeakPolarHBondContact O-CD1 3.44Å; L225-I229 WeakPolarHBondContact O-CG1 3.5Å; L225-I229 PolarHBondContact O-N 2.97Å
226	L	94.3	Very high	93.5	Very high	48 Å²	48	57.1 Å²	57.1	25%	0.251	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-44.8	175.3	-71.5	179.7	0	0	0	111	A175 A178 I179 K222 E223 I229 K230	A175-L226 HydrophobicContact CB-CD2 4.26Å; A175-L226 HydrophobicContact CB-CG 4.4Å; A178-L226 HydrophobicContact CB-CD1 4.36Å; A178-L226 HydrophobicContact CB-CD2 4.11Å; I179-L226 HydrophobicContact CD1-CD2 3.46Å; I179-L226 VanDerWaalsContact CD1-CD2 3.46Å; I179-L226 HydrophobicContact CG1-CD2 3.72Å; K222-L226 HydrophobicContact CG-CD1 4.11Å; K222-L226 HydrophobicContact CG-CG 4.47Å; K222-L226 VanDerWaalsContact O-CG 3.29Å; K222-L226 WeakPolarHBondContact O-CG 3.5Å; K222-L226 PolarHBondContact O-N 2.86Å; E223-L226 PolarHBondContact O-N 3.02Å; E223-L226 VanDerWaalsContact O-N 3.17Å; L226-I229 PolarHBondContact O-N 3.36Å; L226-K230 WeakPolarHBondContact O-CB 3.47Å; L226-K230 PolarHBondContact O-N 2.88Å
227	D	91.3	Very high	93.4	Very high	84 Å²	84	56.7 Å²	56.7	45%	0.449	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-46.1	176.6	-72.4	-12.5	0	0	0	111.5	E223 L225 I229 K230 H231	E223-D227 PolarHBondContact O-N 3.4Å; L225-D227 VanDerWaalsContact C-N 3.34Å; D227-I229 PolarHBondContact O-N 2.87Å; D227-K230 PolarHBondContact O-N 3.42Å; D227-H231 WeakPolarHBondContact O-CB 3.25Å; D227-H231 PolarHBondContact O-N 2.85Å
228	F	95	Very high	93.3	Very high	25 Å²	25	48.4 Å²	48.4	11%	0.11	26%	0.257	C	S	.	.	H	α-helix	trans	-56.8	-47.6	176	164.1	-107.4	0	0	0	112.2	L205 N214 F216 N224 L225 H231 N232	L205-F228 HydrophobicContact CB-CE1 3.78Å; L205-F228 HydrophobicContact CB-CZ 3.83Å; N214-F228 HydrophobicContact CB-CE2 3.92Å; N214-F228 HydrophobicContact CB-CZ 3.9Å; N214-F228 WeakPolarHBondContact O-CZ 3.47Å; F216-F228 HydrophobicContact CB-CD1 4.23Å; F216-F228 HydrophobicContact CB-CE1 4.1Å; F216-F228 HydrophobicContact CB-CE2 4.44Å; F216-F228 HydrophobicContact CB-CG 4.48Å; F216-F228 HydrophobicContact CB-CZ 4.21Å; F216-F228 HydrophobicContact CD2-CB 3.68Å; F216-F228 AromaticContact CD2-CD1 3.89Å; F216-F228 HydrophobicContact CD2-CD1 3.89Å; F216-F228 HydrophobicContact CD2-CD2 4.02Å; F216-F228 AromaticContact CD2-CG 3.59Å; F216-F228 HydrophobicContact CD2-CG 3.59Å; F216-F228 HydrophobicContact CE2-CB 3.97Å; F216-F228 HydrophobicContact CE2-CG 4.38Å; N224-F228 WeakPolarHBondContact O-CB 3.21Å; N224-F228 PolarHBondContact O-N 2.85Å; L225-F228 PolarHBondContact O-N 3.48Å; F228-H231 PolarHBondContact O-N 3.16Å; F228-N232 WeakPolarHBondContact CD2-ND2 3.41Å; F228-N232 WeakPolarHBondContact O-CB 3.37Å; F228-N232 PolarHBondContact O-N 3.15Å; F228-N232 PolarHBondContact O-ND2 3.38Å
229	I	94.3	Very high	93.3	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-47.7	179.9	-66.9	162.4	0	0	0	109.3	V157 I179 I182 F184 L205 L225 L226 D227 H231 N232 Q233	V157-I229 HydrophobicContact CG1-CD1 4.43Å; V157-I229 HydrophobicContact CG2-CD1 4.16Å; V157-I229 HydrophobicContact CG2-CG1 4.13Å; I179-I229 HydrophobicContact CD1-CB 4.22Å; I179-I229 HydrophobicContact CD1-CD1 3.72Å; I179-I229 HydrophobicContact CD1-CG2 3.9Å; I182-I229 HydrophobicContact CD1-CG2 3.53Å; F184-I229 HydrophobicContact CE1-CD1 3.78Å; F184-I229 HydrophobicContact CZ-CD1 3.7Å; L205-I229 HydrophobicContact CD1-CB 4.48Å; L205-I229 HydrophobicContact CD1-CG1 4.38Å; L205-I229 HydrophobicContact CD1-CG2 4.26Å; L225-I229 WeakPolarHBondContact O-CB 3.48Å; L225-I229 WeakPolarHBondContact O-CD1 3.44Å; L225-I229 WeakPolarHBondContact O-CG1 3.5Å; L225-I229 PolarHBondContact O-N 2.97Å; L226-I229 PolarHBondContact O-N 3.36Å; D227-I229 PolarHBondContact O-N 2.87Å; I229-H231 PolarHBondContact O-N 2.85Å; I229-N232 PolarHBondContact O-N 3.42Å; I229-N232 VanDerWaalsContact O-N 3.07Å; I229-Q233 HydrophobicContact CG2-CB 4.35Å; I229-Q233 WeakPolarHBondContact O-CB 3.28Å; I229-Q233 VanDerWaalsContact O-CG 3.28Å; I229-Q233 WeakPolarHBondContact O-CG 3.37Å; I229-Q233 PolarHBondContact O-N 2.85Å
230	K	86.9	Confident	93.2	Very high	77 Å²	77	42.7 Å²	42.7	34%	0.335	21%	0.212	S	C	.	.	H	α-helix	trans	-54.5	-41.4	178.5	-175.5	-176.6	176.8	-169.3	0	112.1	L226 D227 E252	L226-K230 WeakPolarHBondContact O-CB 3.47Å; L226-K230 PolarHBondContact O-N 2.88Å; D227-K230 PolarHBondContact O-N 3.42Å; K230-E252 IonicContact NZ-OE1 3.6Å; K230-E252 PolarHBondContact NZ-OE1 2.96Å
231	H	84.9	Confident	92.9	Very high	103 Å²	103	43.9 Å²	43.9	48%	0.477	22%	0.219	S	C	.	.	H	α-helix	trans	-74	-25.2	179.8	-113.6	81.9	0	0	0	114.7	D227 F228 I229	D227-H231 WeakPolarHBondContact O-CB 3.25Å; D227-H231 PolarHBondContact O-N 2.85Å; F228-H231 PolarHBondContact O-N 3.16Å; I229-H231 PolarHBondContact O-N 2.85Å
232	N	90.2	Very high	92.1	Very high	27 Å²	27	50.6 Å²	50.6	14%	0.144	25%	0.249	C	C	.	.	H	α-helix	trans	-114.7	-9.3	-171.1	-68.2	-80.2	0	0	0	114.3	L205 N214 F228 I229 L234	L205-N232 HydrophobicContact CD1-CB 4.15Å; L205-N232 HydrophobicContact CD2-CB 4.46Å; N214-N232 HydrophobicContact CB-CB 4.24Å; N214-N232 VanDerWaalsContact CG-OD1 3.31Å; N214-N232 PolarHBondContact ND2-OD1 3Å; F228-N232 WeakPolarHBondContact CD2-ND2 3.41Å; F228-N232 WeakPolarHBondContact O-CB 3.37Å; F228-N232 PolarHBondContact O-N 3.15Å; F228-N232 PolarHBondContact O-ND2 3.38Å; I229-N232 PolarHBondContact O-N 3.42Å; I229-N232 VanDerWaalsContact O-N 3.07Å; N232-L234 VanDerWaalsContact C-N 3.3Å; N232-L234 PolarHBondContact O-N 3.07Å
233	Q	89.3	Confident	91.5	Very high	36 Å²	36	55.1 Å²	55.1	17%	0.168	27%	0.271	C	S	.	.	S	Bend	trans	-75.8	-13.4	-179.6	68.4	173.2	-31	0	0	114.3	V155 I182 F209 I229	V155-Q233 HydrophobicContact CG1-CB 4.49Å; I182-Q233 HydrophobicContact CD1-CB 4.08Å; F209-Q233 WeakPolarHBondContact CZ-O 3.44Å; I229-Q233 HydrophobicContact CG2-CB 4.35Å; I229-Q233 WeakPolarHBondContact O-CB 3.28Å; I229-Q233 VanDerWaalsContact O-CG 3.28Å; I229-Q233 WeakPolarHBondContact O-CG 3.37Å; I229-Q233 PolarHBondContact O-N 2.85Å
234	L	85.6	Confident	91.1	Very high	38 Å²	38	51.3 Å²	51.3	20%	0.199	26%	0.255	C	S	.	.	S	Bend	trans	-103	141.7	179.3	-67.9	174.9	0	0	0	110.3	F209 N232 I238 K247	F209-L234 VanDerWaalsContact CE2-C 3.44Å; N232-L234 VanDerWaalsContact C-N 3.3Å; N232-L234 PolarHBondContact O-N 3.07Å; L234-I238 HydrophobicContact CB-CD1 3.95Å; L234-I238 HydrophobicContact CB-CG1 4.26Å; L234-I238 HydrophobicContact CD1-CD1 3.78Å; L234-I238 HydrophobicContact CD2-CD1 4.37Å; L234-I238 HydrophobicContact CG-CD1 4.23Å; L234-K247 HydrophobicContact CD1-CB 4.4Å; L234-K247 HydrophobicContact CD2-CB 4.16Å; L234-K247 HydrophobicContact CD2-CD 4.01Å
235	P	91.4	Very high	90.7	Very high	32 Å²	32	49 Å²	49	21%	0.208	25%	0.245	C	C	.	.			trans	-64.1	155	171.6	28.4	-35	0	0	0	110.5	F209 D210 V237 I238	F209-P235 HydrophobicContact CB-CB 4.31Å; F209-P235 HydrophobicContact CD1-CB 4.35Å; F209-P235 VanDerWaalsContact CD2-CA 3.43Å; F209-P235 HydrophobicContact CD2-CB 3.62Å; F209-P235 HydrophobicContact CE2-CB 3.93Å; F209-P235 VanDerWaalsContact CE2-N 3.28Å; F209-P235 HydrophobicContact CG-CB 3.84Å; F209-P235 HydrophobicContact CZ-CB 4.46Å; D210-P235 WeakPolarHBondContact OD2-CA 3.38Å; P235-V237 WeakPolarHBondContact CB-O 3.14Å; P235-V237 VanDerWaalsContact CG-O 3.26Å; P235-V237 WeakPolarHBondContact CG-O 3.33Å; P235-V237 PolarHBondContact O-N 3.08Å; P235-I238 HydrophobicContact CG-CB 4.5Å; P235-I238 HydrophobicContact CG-CG1 3.99Å; P235-I238 WeakPolarHBondContact O-CG1 3.49Å
236	L	92.5	Very high	90	Very high	23 Å²	23	53.2 Å²	53.2	12%	0.12	27%	0.273	C	S	.	.	S	Bend	trans	-59.7	-29.3	178	-170	69.1	0	0	0	112.4	D210 K276 A279 E280 K283	D210-L236 PolarHBondContact OD2-N 2.78Å; L236-K276 HydrophobicContact CB-CD 4.13Å; L236-K276 HydrophobicContact CD2-CD 4.09Å; L236-K276 HydrophobicContact CG-CD 4.46Å; L236-A279 HydrophobicContact CD1-CB 4.5Å; L236-A279 HydrophobicContact CD2-CB 3.89Å; L236-A279 HydrophobicContact CG-CB 3.75Å; L236-E280 HydrophobicContact CD2-CB 4.33Å; L236-E280 HydrophobicContact CD2-CG 3.61Å; L236-K283 HydrophobicContact CD1-CB 4.25Å; L236-K283 HydrophobicContact CD1-CD 4.09Å; L236-K283 HydrophobicContact CD1-CG 4.01Å
237	V	94.7	Very high	89.5	Confident	19 Å²	19	54.6 Å²	54.6	12%	0.115	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.3	167.6	-61.8	0	0	0	0	108.8	P235 F275 K276 A279 F288	P235-V237 WeakPolarHBondContact CB-O 3.14Å; P235-V237 VanDerWaalsContact CG-O 3.26Å; P235-V237 WeakPolarHBondContact CG-O 3.33Å; P235-V237 PolarHBondContact O-N 3.08Å; V237-F275 HydrophobicContact CG1-CD1 3.93Å; V237-F275 HydrophobicContact CG1-CE1 4.34Å; V237-K276 HydrophobicContact CB-CD 4.25Å; V237-K276 HydrophobicContact CG1-CB 4.24Å; V237-K276 HydrophobicContact CG1-CD 3.65Å; V237-K276 HydrophobicContact CG2-CD 3.71Å; V237-A279 HydrophobicContact CG1-CB 3.95Å; V237-F288 WeakPolarHBondContact CA-O 3.16Å; V237-F288 HydrophobicContact CG1-CB 3.96Å
238	I	94.3	Very high	89.3	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131	-173.7	-54.7	162	0	0	0	109	L234 P235 F240 T244 I248 L287 F288 I289 F290	L234-I238 HydrophobicContact CB-CD1 3.95Å; L234-I238 HydrophobicContact CB-CG1 4.26Å; L234-I238 HydrophobicContact CD1-CD1 3.78Å; L234-I238 HydrophobicContact CD2-CD1 4.37Å; L234-I238 HydrophobicContact CG-CD1 4.23Å; P235-I238 HydrophobicContact CG-CB 4.5Å; P235-I238 HydrophobicContact CG-CG1 3.99Å; P235-I238 WeakPolarHBondContact O-CG1 3.49Å; I238-F240 PolarHBondContact O-N 2.56Å; I238-T244 HydrophobicContact CG2-CG2 4.05Å; I238-I248 HydrophobicContact CD1-CG1 4.36Å; I238-I248 HydrophobicContact CG2-CD1 3.94Å; I238-I248 HydrophobicContact CG2-CG1 4.14Å; I238-L287 HydrophobicContact CD1-CD1 3.58Å; I238-L287 HydrophobicContact CD1-CD2 4.06Å; I238-L287 HydrophobicContact CD1-CG 4.01Å; I238-F288 PolarHBondContact N-O 2.78Å; I238-I289 CarbonylContact O-C 3.53Å; I238-I289 VanDerWaalsContact O-CA 3.26Å; I238-I289 WeakPolarHBondContact O-CA 3.36Å; I238-F290 WeakPolarHBondContact O-CD1 3.33Å; I238-F290 PolarHBondContact O-N 3.38Å
239	E	95.1	Very high	88.8	Confident	64 Å²	64	54.9 Å²	54.9	30%	0.299	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	127.3	168.3	-165.4	160.2	-171.4	0	0	108.9	T241 T244 K263 F290	E239-T241 HydrophobicContact CB-CG2 4.31Å; E239-T241 HydrophobicContact CG-CG2 3.92Å; E239-T241 PolarHBondContact O-N 3.34Å; E239-T244 WeakPolarHBondContact O-CB 3.35Å; E239-T244 PolarHBondContact O-OG1 3.29Å; E239-K263 WeakPolarHBondContact OE1-CE 3.33Å; E239-K263 IonicContact OE1-NZ 3.64Å; E239-K263 PolarHBondContact OE1-NZ 3.44Å; E239-K263 IonicContact OE2-NZ 2.9Å; E239-F290 CarbonylContact C-O 3.55Å; E239-F290 VanDerWaalsContact CA-CE1 3.44Å; E239-F290 WeakPolarHBondContact CA-O 3.19Å; E239-F290 HydrophobicContact CB-CD1 4.33Å; E239-F290 HydrophobicContact CB-CE1 3.56Å; E239-F290 HydrophobicContact CB-CE2 3.85Å; E239-F290 HydrophobicContact CB-CZ 3.29Å; E239-F290 VanDerWaalsContact CD-CE2 3.47Å; E239-F290 HydrophobicContact CG-CD2 4.18Å; E239-F290 HydrophobicContact CG-CE1 4.15Å; E239-F290 HydrophobicContact CG-CE2 3.45Å; E239-F290 VanDerWaalsContact CG-CE2 3.45Å; E239-F290 HydrophobicContact CG-CZ 3.46Å; E239-F290 VanDerWaalsContact CG-CZ 3.46Å
240	F	94.9	Very high	88.1	Confident	28 Å²	28	57.4 Å²	57.4	12%	0.123	30%	0.301	C	S	.	.			trans	-73	115.6	170.7	-172.9	-86.3	0	0	0	109.7	I238 A245 I248 F249 I289 F290 I291 I301	I238-F240 PolarHBondContact O-N 2.56Å; F240-A245 HydrophobicContact CE2-CB 3.92Å; F240-A245 HydrophobicContact CZ-CB 3.91Å; F240-I248 HydrophobicContact CD2-CD1 3.9Å; F240-F249 AromaticContact CE2-CE2 3.88Å; F240-F249 HydrophobicContact CE2-CE2 3.88Å; F240-F249 AromaticContact CE2-CZ 3.93Å; F240-F249 HydrophobicContact CE2-CZ 3.93Å; F240-F249 HydrophobicContact CZ-CE2 4.34Å; F240-I289 HydrophobicContact CB-CG2 3.73Å; F240-F290 PolarHBondContact N-O 3.11Å; F240-I291 HydrophobicContact CB-CB 3.98Å; F240-I291 HydrophobicContact CB-CD1 4.34Å; F240-I291 HydrophobicContact CB-CG1 4.09Å; F240-I291 HydrophobicContact CD1-CD1 3.84Å; F240-I291 HydrophobicContact CD1-CG1 4.22Å; F240-I291 HydrophobicContact CG-CD1 4.21Å; F240-I291 HydrophobicContact CG-CG1 4.46Å; F240-I301 HydrophobicContact CD1-CD1 3.7Å; F240-I301 HydrophobicContact CE1-CD1 3.09Å; F240-I301 HydrophobicContact CE2-CD1 4.13Å; F240-I301 HydrophobicContact CG-CD1 4.43Å; F240-I301 HydrophobicContact CZ-CD1 3.34Å
241	T	89.8	Confident	87.8	Confident	46 Å²	46	54.5 Å²	54.5	28%	0.282	29%	0.293	S	S	.	.			trans	-143.4	167.8	176.7	66.6	0	0	0	0	108.6	E239 Q243 T244 A245	E239-T241 HydrophobicContact CB-CG2 4.31Å; E239-T241 HydrophobicContact CG-CG2 3.92Å; E239-T241 PolarHBondContact O-N 3.34Å; T241-Q243 PolarHBondContact O-N 2.99Å; T241-Q243 VanDerWaalsContact O-N 3.17Å; T241-Q243 PolarHBondContact OG1-N 2.84Å; T241-T244 PolarHBondContact N-OG1 3.02Å; T241-T244 PolarHBondContact O-N 2.77Å; T241-T244 PolarHBondContact O-OG1 3.49Å; T241-T244 PolarHBondContact OG1-N 2.88Å; T241-T244 PolarHBondContact OG1-OG1 2.92Å; T241-A245 WeakPolarHBondContact O-CB 3.2Å; T241-A245 PolarHBondContact O-N 2.93Å
242	E	82.9	Confident	87.7	Confident	162 Å²	162	55 Å²	55	76%	0.757	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.3	172.6	-63.6	-173	155.1	0	0	112.8	P246	E242-P246 WeakPolarHBondContact O-CD 3.38Å
243	Q	83.1	Confident	87.6	Confident	168 Å²	168	55.3 Å²	55.3	79%	0.785	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-33.7	-178.7	-62.5	177.9	10.9	0	0	112.7	T241	T241-Q243 PolarHBondContact O-N 2.99Å; T241-Q243 VanDerWaalsContact O-N 3.17Å; T241-Q243 PolarHBondContact OG1-N 2.84Å
244	T	88.4	Confident	87.6	Confident	30 Å²	30	57.5 Å²	57.5	18%	0.184	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-22.1	-177.5	54	0	0	0	0	112.7	I238 E239 T241 K247 I248	I238-T244 HydrophobicContact CG2-CG2 4.05Å; E239-T244 WeakPolarHBondContact O-CB 3.35Å; E239-T244 PolarHBondContact O-OG1 3.29Å; T241-T244 PolarHBondContact N-OG1 3.02Å; T241-T244 PolarHBondContact O-N 2.77Å; T241-T244 PolarHBondContact O-OG1 3.49Å; T241-T244 PolarHBondContact OG1-N 2.88Å; T241-T244 PolarHBondContact OG1-OG1 2.92Å; T244-K247 WeakPolarHBondContact O-CB 3.44Å; T244-K247 PolarHBondContact O-N 3.28Å; T244-I248 WeakPolarHBondContact O-CG1 3.42Å; T244-I248 PolarHBondContact O-N 3.01Å
245	A	87.2	Confident	88.1	Confident	15 Å²	15	56.6 Å²	56.6	12%	0.124	30%	0.302	C	S	.	.	H	α-helix	trans	-53.8	-47.2	-178.7	0	0	0	0	0	113.9	F240 T241 K247 I248 F249	F240-A245 HydrophobicContact CE2-CB 3.92Å; F240-A245 HydrophobicContact CZ-CB 3.91Å; T241-A245 WeakPolarHBondContact O-CB 3.2Å; T241-A245 PolarHBondContact O-N 2.93Å; A245-K247 VanDerWaalsContact C-N 3.26Å; A245-K247 PolarHBondContact O-N 3.43Å; A245-I248 PolarHBondContact O-N 3.22Å; A245-F249 HydrophobicContact CB-CD2 4.33Å; A245-F249 HydrophobicContact CB-CE2 4.14Å; A245-F249 WeakPolarHBondContact O-CD2 3.41Å; A245-F249 PolarHBondContact O-N 3.17Å
246	P	84.2	Confident	88.3	Confident	90 Å²	90	55.3 Å²	55.3	58%	0.584	29%	0.293	S	S	*	.	H	α-helix	trans	-61.1	-34.7	177	-23.2	34.1	0	0	0	113	E242 G250	E242-P246 WeakPolarHBondContact O-CD 3.38Å; P246-G250 WeakPolarHBondContact O-CA 3.42Å; P246-G250 PolarHBondContact O-N 3.18Å
247	K	83.3	Confident	88.6	Confident	76 Å²	76	54.2 Å²	54.2	33%	0.33	29%	0.287	S	S	.	.	H	α-helix	trans	-72.9	-36.7	178.9	-59.1	-173.5	177.9	-167.9	0	111.9	D181 L234 T244 A245 G251	D181-K247 VanDerWaalsContact OD2-CE 3.24Å; D181-K247 WeakPolarHBondContact OD2-CE 3.25Å; D181-K247 IonicContact OD2-NZ 2.72Å; D181-K247 PolarHBondContact OD2-NZ 3.14Å; L234-K247 HydrophobicContact CD1-CB 4.4Å; L234-K247 HydrophobicContact CD2-CB 4.16Å; L234-K247 HydrophobicContact CD2-CD 4.01Å; T244-K247 WeakPolarHBondContact O-CB 3.44Å; T244-K247 PolarHBondContact O-N 3.28Å; A245-K247 VanDerWaalsContact C-N 3.26Å; A245-K247 PolarHBondContact O-N 3.43Å; K247-G251 PolarHBondContact O-N 3.35Å
248	I	88.3	Confident	88.7	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-56.9	174.7	-71.4	164.3	0	0	0	109.8	I238 F240 T244 A245 G250 G251 L287 I289	I238-I248 HydrophobicContact CD1-CG1 4.36Å; I238-I248 HydrophobicContact CG2-CD1 3.94Å; I238-I248 HydrophobicContact CG2-CG1 4.14Å; F240-I248 HydrophobicContact CD2-CD1 3.9Å; T244-I248 WeakPolarHBondContact O-CG1 3.42Å; T244-I248 PolarHBondContact O-N 3.01Å; A245-I248 PolarHBondContact O-N 3.22Å; I248-G250 PolarHBondContact O-N 3.44Å; I248-G251 PolarHBondContact O-N 3.2Å; I248-G251 VanDerWaalsContact O-N 3.11Å; I248-L287 HydrophobicContact CG1-CD2 4.43Å; I248-L287 HydrophobicContact CG2-CD2 4.17Å; I248-I289 HydrophobicContact CB-CD1 4.43Å; I248-I289 HydrophobicContact CD1-CD1 3.96Å; I248-I289 HydrophobicContact CD1-CG1 4.26Å; I248-I289 HydrophobicContact CD1-CG2 4.38Å; I248-I289 HydrophobicContact CG1-CD1 4.11Å; I248-I289 HydrophobicContact CG2-CD1 3.48Å; I248-I289 VanDerWaalsContact CG2-CD1 3.48Å
249	F	82.9	Confident	88.9	Confident	115 Å²	115	54 Å²	54	50%	0.504	29%	0.285	S	S	.	.	H	α-helix	trans	-74.7	-28	-174	-61.9	-57.1	0	0	0	113.7	F240 A245 G251 L320	F240-F249 AromaticContact CE2-CE2 3.88Å; F240-F249 HydrophobicContact CE2-CE2 3.88Å; F240-F249 AromaticContact CE2-CZ 3.93Å; F240-F249 HydrophobicContact CE2-CZ 3.93Å; F240-F249 HydrophobicContact CZ-CE2 4.34Å; A245-F249 HydrophobicContact CB-CD2 4.33Å; A245-F249 HydrophobicContact CB-CE2 4.14Å; A245-F249 WeakPolarHBondContact O-CD2 3.41Å; A245-F249 PolarHBondContact O-N 3.17Å; F249-G251 PolarHBondContact O-N 2.87Å; F249-L320 HydrophobicContact CD1-CD1 3.83Å; F249-L320 HydrophobicContact CE1-CD1 4.12Å
250	G	79.8	Confident	89	Confident	55 Å²	55	51 Å²	51	57%	0.567	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.5	170.1	0	0	0	0	0	114.2	P246 I248	P246-G250 WeakPolarHBondContact O-CA 3.42Å; P246-G250 PolarHBondContact O-N 3.18Å; I248-G250 PolarHBondContact O-N 3.44Å
251	G	80.1	Confident	89.1	Confident	16 Å²	16	49.6 Å²	49.6	17%	0.165	27%	0.265	C	S	.	.	S	Bend	trans	-69.1	157.6	178	0	0	0	0	0	113.7	K247 I248 F249 K254	K247-G251 PolarHBondContact O-N 3.35Å; I248-G251 PolarHBondContact O-N 3.2Å; I248-G251 VanDerWaalsContact O-N 3.11Å; F249-G251 PolarHBondContact O-N 2.87Å; G251-K254 PolarHBondContact O-NZ 3Å
252	E	83	Confident	89.5	Confident	112 Å²	112	47.8 Å²	47.8	52%	0.523	25%	0.254	S	S	.	.	S	Bend	trans	-77.8	-29.1	174.7	-77.6	167.4	-150.4	0	0	112.6	K230 K254	K230-E252 IonicContact NZ-OE1 3.6Å; K230-E252 PolarHBondContact NZ-OE1 2.96Å; E252-K254 PolarHBondContact O-N 3.36Å; E252-K254 VanDerWaalsContact O-N 3.15Å
253	I	88.5	Confident	90.1	Very high	35 Å²	35	44.8 Å²	44.8	18%	0.179	24%	0.239	C	C	.	.			trans	-74.1	109.3	179.4	-54.2	176.4	0	0	0	108	T255 H256 K285 L287	I253-T255 WeakPolarHBondContact CG2-O 3.31Å; I253-H256 PolarHBondContact O-CE1 3.42Å; I253-H256 PolarHBondContact O-NE2 3.4Å; I253-K285 WeakPolarHBondContact CG2-O 3.36Å; I253-L287 HydrophobicContact CB-CB 4.36Å; I253-L287 HydrophobicContact CD1-CD1 4.48Å; I253-L287 HydrophobicContact CG2-CB 4.13Å
254	K	90.6	Very high	90.7	Very high	81 Å²	81	41.3 Å²	41.3	35%	0.352	23%	0.233	S	C	.	.			trans	-86.7	-12.5	179.1	-57.6	-50.3	-175.9	-172	0	113.5	G251 E252 H256 L320 E321	G251-K254 PolarHBondContact O-NZ 3Å; E252-K254 PolarHBondContact O-N 3.36Å; E252-K254 VanDerWaalsContact O-N 3.15Å; K254-H256 PolarHBondContact O-ND1 3.43Å; K254-L320 HydrophobicContact CB-CB 4.39Å; K254-L320 PolarHBondContact O-N 3.4Å; K254-E321 HydrophobicContact CB-CG 4.03Å; K254-E321 HydrophobicContact CG-CG 4.5Å
255	T	94.8	Very high	91	Very high	20 Å²	20	41.1 Å²	41.1	12%	0.123	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.7	173.5	-50.3	0	0	0	0	111.3	I253 I286 L287 L317 T319 F346	I253-T255 WeakPolarHBondContact CG2-O 3.31Å; T255-I286 HydrophobicContact CG2-CG1 4.04Å; T255-I286 HydrophobicContact CG2-CG2 4.22Å; T255-I286 WeakPolarHBondContact O-CA 3.48Å; T255-L287 PolarHBondContact O-N 2.92Å; T255-L317 HydrophobicContact CG2-CD1 4.43Å; T255-L317 HydrophobicContact CG2-CD2 3.75Å; T255-L317 HydrophobicContact CG2-CG 4.21Å; T255-T319 HydrophobicContact CG2-CG2 4.4Å; T255-F346 HydrophobicContact CG2-CD1 4.34Å; T255-F346 HydrophobicContact CG2-CE1 3.44Å; T255-F346 VanDerWaalsContact CG2-CE1 3.44Å; T255-F346 HydrophobicContact CG2-CZ 3.78Å
256	H	96.4	Very high	91.4	Very high	4 Å²	4	45 Å²	45	2%	0.019	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.5	-177.4	-60.4	76.2	0	0	0	110.4	I253 K254 L258 L287 I289 L317 I318 L320	I253-H256 PolarHBondContact O-CE1 3.42Å; I253-H256 PolarHBondContact O-NE2 3.4Å; K254-H256 PolarHBondContact O-ND1 3.43Å; H256-L258 HydrophobicContact CB-CD1 3.81Å; H256-L287 WeakPolarHBondContact CA-O 3.31Å; H256-I289 HydrophobicContact CB-CD1 4.39Å; H256-L317 CarbonylContact O-C 3.57Å; H256-L317 VanDerWaalsContact O-CA 3.28Å; H256-L317 WeakPolarHBondContact O-CA 3.49Å; H256-L317 WeakPolarHBondContact O-CG 3.49Å; H256-I318 HydrophobicContact CB-CG2 3.8Å; H256-I318 PolarHBondContact N-O 3.39Å; H256-I318 PolarHBondContact O-N 3.14Å; H256-L320 WeakPolarHBondContact CE1-CD1 3.49Å; H256-L320 WeakPolarHBondContact ND1-CD1 3.39Å
257	I	97.7	Very high	92	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.7	167.2	-171.6	172.2	0	0	0	108.9	F275 I286 L287 F288 I289 V315 R316 L317 I339 F342 C343	I257-F275 HydrophobicContact CD1-CE2 4.19Å; I257-F275 HydrophobicContact CG1-CE2 4.13Å; I257-F275 HydrophobicContact CG1-CZ 4.35Å; I257-F275 HydrophobicContact CG2-CE2 4.28Å; I257-F275 HydrophobicContact CG2-CZ 3.96Å; I257-I286 HydrophobicContact CB-CG2 3.91Å; I257-I286 HydrophobicContact CG2-CG2 3.6Å; I257-L287 PolarHBondContact N-O 2.71Å; I257-F288 HydrophobicContact CD1-CE1 4.4Å; I257-F288 HydrophobicContact CD1-CZ 4.5Å; I257-F288 HydrophobicContact CG2-CB 4.08Å; I257-F288 HydrophobicContact CG2-CD1 3.58Å; I257-F288 HydrophobicContact CG2-CD2 3.44Å; I257-F288 VanDerWaalsContact CG2-CD2 3.44Å; I257-F288 HydrophobicContact CG2-CE1 3.77Å; I257-F288 HydrophobicContact CG2-CE2 3.61Å; I257-F288 HydrophobicContact CG2-CG 3.41Å; I257-F288 VanDerWaalsContact CG2-CG 3.41Å; I257-F288 HydrophobicContact CG2-CZ 3.77Å; I257-I289 PolarHBondContact O-N 3.44Å; I257-V315 HydrophobicContact CD1-CG1 3.67Å; I257-V315 HydrophobicContact CG1-CG1 3.66Å; I257-R316 CarbonylContact C-O 3.57Å; I257-R316 WeakPolarHBondContact CA-O 3.3Å; I257-L317 HydrophobicContact CB-CD1 4.42Å; I257-L317 HydrophobicContact CB-CG 4.45Å; I257-I339 HydrophobicContact CD1-CG2 4.08Å; I257-F342 HydrophobicContact CD1-CD1 3.95Å; I257-F342 HydrophobicContact CD1-CE1 3.98Å; I257-F342 HydrophobicContact CG1-CE1 4.5Å; I257-C343 VanDerWaalsContact CD1-SG 3.56Å
258	L	97.7	Very high	92.6	Very high	13 Å²	13	44.1 Å²	44.1	7%	0.068	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.3	-176.5	-72	78.6	0	0	0	109.3	H256 F260 I289 I301 F305 V315 R316 I318	H256-L258 HydrophobicContact CB-CD1 3.81Å; L258-F260 HydrophobicContact CB-CD2 4.46Å; L258-F260 HydrophobicContact CB-CE2 3.88Å; L258-F260 HydrophobicContact CB-CZ 4.35Å; L258-F260 HydrophobicContact CD2-CE2 4.5Å; L258-F260 HydrophobicContact CD2-CZ 4.16Å; L258-I289 CarbonylContact C-O 3.53Å; L258-I289 VanDerWaalsContact CA-O 3.31Å; L258-I289 WeakPolarHBondContact CA-O 3.47Å; L258-I289 HydrophobicContact CG-CB 4.35Å; L258-I301 HydrophobicContact CD2-CG2 4.45Å; L258-F305 HydrophobicContact CD1-CZ 4.08Å; L258-F305 HydrophobicContact CD2-CE2 3.73Å; L258-F305 HydrophobicContact CD2-CZ 3.94Å; L258-V315 CarbonylContact O-C 3.49Å; L258-V315 VanDerWaalsContact O-CA 3.32Å; L258-V315 WeakPolarHBondContact O-CA 3.47Å; L258-R316 PolarHBondContact N-O 2.86Å; L258-R316 PolarHBondContact O-N 3.45Å; L258-I318 HydrophobicContact CD1-CG2 4Å
259	L	98.2	Very high	93	Very high	3 Å²	3	50 Å²	50	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	108.3	165.8	174.8	67.6	0	0	0	109	L261 F275 I289 F290 I291 V315 L334	L259-L261 HydrophobicContact CD2-CB 4.17Å; L259-L261 HydrophobicContact CD2-CD1 4.35Å; L259-L261 HydrophobicContact CD2-CD2 3.98Å; L259-L261 HydrophobicContact CD2-CG 4.4Å; L259-L261 HydrophobicContact CG-CB 4.03Å; L259-L261 PolarHBondContact O-N 3.23Å; L259-F275 HydrophobicContact CB-CD1 4.04Å; L259-F275 HydrophobicContact CB-CD2 3.9Å; L259-F275 HydrophobicContact CB-CE1 3.83Å; L259-F275 HydrophobicContact CB-CE2 3.71Å; L259-F275 HydrophobicContact CB-CG 4.07Å; L259-F275 HydrophobicContact CB-CZ 3.66Å; L259-F275 HydrophobicContact CD2-CB 3.77Å; L259-F275 HydrophobicContact CD2-CD1 4.03Å; L259-F275 HydrophobicContact CD2-CD2 4.13Å; L259-F275 HydrophobicContact CD2-CG 3.74Å; L259-F275 HydrophobicContact CG-CD2 4.47Å; L259-F275 HydrophobicContact CG-CG 4.48Å; L259-I289 PolarHBondContact N-O 2.81Å; L259-F290 HydrophobicContact CB-CB 4.18Å; L259-F290 HydrophobicContact CD2-CB 4.44Å; L259-F290 CarbonylContact O-C 3.47Å; L259-F290 VanDerWaalsContact O-CA 3.22Å; L259-F290 WeakPolarHBondContact O-CA 3.01Å; L259-I291 PolarHBondContact O-N 3.38Å; L259-V315 HydrophobicContact CB-CG2 4.35Å; L259-V315 HydrophobicContact CD1-CG2 3.56Å; L259-L334 HydrophobicContact CD1-CD1 4.06Å
260	F	97.7	Very high	93.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	103.7	169.2	-64	-94.2	0	0	0	107.9	L258 I291 I301 L302 F305 L307 P313 A314 R316	L258-F260 HydrophobicContact CB-CD2 4.46Å; L258-F260 HydrophobicContact CB-CE2 3.88Å; L258-F260 HydrophobicContact CB-CZ 4.35Å; L258-F260 HydrophobicContact CD2-CE2 4.5Å; L258-F260 HydrophobicContact CD2-CZ 4.16Å; F260-I291 HydrophobicContact CB-CG2 4.2Å; F260-I291 HydrophobicContact CD1-CG2 3.3Å; F260-I291 HydrophobicContact CD2-CG2 4.39Å; F260-I291 HydrophobicContact CE1-CD1 4.42Å; F260-I291 HydrophobicContact CE1-CG2 3.63Å; F260-I291 HydrophobicContact CG-CG2 3.73Å; F260-I291 HydrophobicContact CZ-CG2 4.28Å; F260-I301 HydrophobicContact CE1-CG2 3.96Å; F260-I301 HydrophobicContact CZ-CG2 4.13Å; F260-L302 HydrophobicContact CD1-CD1 3.75Å; F260-L302 HydrophobicContact CD1-CG 3.95Å; F260-L302 HydrophobicContact CE1-CD1 3.91Å; F260-L302 HydrophobicContact CE1-CG 4.14Å; F260-F305 HydrophobicContact CE2-CB 4.31Å; F260-F305 HydrophobicContact CE2-CD2 4.31Å; F260-F305 HydrophobicContact CE2-CG 4.17Å; F260-F305 HydrophobicContact CZ-CB 3.95Å; F260-F305 AromaticContact CZ-CD2 3.58Å; F260-F305 HydrophobicContact CZ-CD2 3.58Å; F260-F305 HydrophobicContact CZ-CE2 4.19Å; F260-F305 AromaticContact CZ-CG 3.8Å; F260-F305 HydrophobicContact CZ-CG 3.8Å; F260-L307 HydrophobicContact CB-CD1 4.35Å; F260-L307 HydrophobicContact CD1-CD1 4.12Å; F260-L307 HydrophobicContact CD2-CD1 3.34Å; F260-L307 HydrophobicContact CE1-CD1 4.29Å; F260-L307 HydrophobicContact CE2-CD1 3.55Å; F260-L307 HydrophobicContact CG-CD1 3.67Å; F260-L307 HydrophobicContact CZ-CD1 4.04Å; F260-P313 CarbonylContact O-C 3.59Å; F260-P313 WeakPolarHBondContact O-CA 3.28Å; F260-P313 WeakPolarHBondContact O-CB 3.37Å; F260-A314 PolarHBondContact N-O 3.29Å; F260-A314 PolarHBondContact O-N 3.32Å; F260-A314 VanDerWaalsContact O-N 3.08Å; F260-R316 HydrophobicContact CE2-CB 4.14Å; F260-R316 HydrophobicContact CE2-CG 4.03Å
261	L	97.5	Very high	94.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.249	C	C	.	.			trans	-124.1	103.8	-172.5	-165.4	63.8	0	0	0	109.9	L259 K263 V265 Y268 K271 L272 I291 P313	L259-L261 HydrophobicContact CD2-CB 4.17Å; L259-L261 HydrophobicContact CD2-CD1 4.35Å; L259-L261 HydrophobicContact CD2-CD2 3.98Å; L259-L261 HydrophobicContact CD2-CG 4.4Å; L259-L261 HydrophobicContact CG-CB 4.03Å; L259-L261 PolarHBondContact O-N 3.23Å; L261-K263 PolarHBondContact O-N 2.97Å; L261-V265 HydrophobicContact CD1-CG1 3.92Å; L261-V265 HydrophobicContact CG-CG1 4.37Å; L261-Y268 HydrophobicContact CB-CE2 4.21Å; L261-Y268 HydrophobicContact CD2-CD2 3.61Å; L261-Y268 HydrophobicContact CD2-CE1 4.33Å; L261-Y268 HydrophobicContact CD2-CE2 3.38Å; L261-Y268 HydrophobicContact CD2-CG 4.18Å; L261-Y268 HydrophobicContact CG-CD2 3.65Å; L261-Y268 HydrophobicContact CG-CE2 3.55Å; L261-K271 HydrophobicContact CD1-CB 3.96Å; L261-K271 HydrophobicContact CD1-CD 4.05Å; L261-L272 HydrophobicContact CD2-CB 3.96Å; L261-L272 HydrophobicContact CD2-CD1 4.41Å; L261-I291 PolarHBondContact N-O 2.95Å; L261-P313 HydrophobicContact CD1-CB 3.84Å
262	P	96.7	Very high	95.3	Very high	8 Å²	8	45.6 Å²	45.6	5%	0.052	25%	0.249	C	C	.	.			trans	-65.9	132.1	178.8	5.9	-0.2	0	0	0	109.7	S264 V265 S293 D294 C312	P262-S264 PolarHBondContact O-N 3.44Å; P262-S264 VanDerWaalsContact O-N 3.14Å; P262-V265 HydrophobicContact CB-CB 4.38Å; P262-V265 HydrophobicContact CG-CB 3.96Å; P262-V265 HydrophobicContact CG-CG2 4.36Å; P262-V265 VanDerWaalsContact O-CB 3.27Å; P262-V265 WeakPolarHBondContact O-CB 3.37Å; P262-V265 WeakPolarHBondContact O-CG1 3.39Å; P262-V265 PolarHBondContact O-N 2.92Å; P262-S293 VanDerWaalsContact CA-OG 3.28Å; P262-S293 WeakPolarHBondContact CA-OG 3.26Å; P262-S293 VanDerWaalsContact CB-OG 3.3Å; P262-S293 WeakPolarHBondContact CB-OG 3.22Å; P262-S293 VanDerWaalsContact CD-OG 3.3Å; P262-S293 WeakPolarHBondContact CD-OG 3.44Å; P262-S293 WeakPolarHBondContact CG-OG 3.32Å; P262-S293 VanDerWaalsContact N-OG 3.13Å; P262-D294 WeakPolarHBondContact CB-OD1 3.21Å; P262-D294 VanDerWaalsContact CB-OD2 3.22Å; P262-D294 WeakPolarHBondContact CB-OD2 3.31Å; P262-C312 HydrophobicContact CG-CB 3.99Å
263	K	95.7	Very high	95.9	Very high	99 Å²	99	43.4 Å²	43.4	43%	0.43	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.5	175	-65.8	-78.6	170.7	121.9	0	112	E239 L261 V265 Y268 D292 D294	E239-K263 WeakPolarHBondContact OE1-CE 3.33Å; E239-K263 IonicContact OE1-NZ 3.64Å; E239-K263 PolarHBondContact OE1-NZ 3.44Å; E239-K263 IonicContact OE2-NZ 2.9Å; L261-K263 PolarHBondContact O-N 2.97Å; K263-V265 VanDerWaalsContact C-N 3.32Å; K263-Y268 HydrophobicContact CD-CE2 3.75Å; K263-Y268 VanDerWaalsContact CE-OH 3.29Å; K263-Y268 WeakPolarHBondContact CE-OH 3.32Å; K263-Y268 HydrophobicContact CG-CE2 4.44Å; K263-D292 HydrophobicContact CG-CB 4.06Å; K263-D292 WeakPolarHBondContact CG-OD1 3.46Å; K263-D292 VanDerWaalsContact CG-OD2 3.3Å; K263-D292 WeakPolarHBondContact CG-OD2 3.31Å; K263-D292 PolarHBondContact N-OD1 3.24Å; K263-D292 VanDerWaalsContact N-OD1 3.16Å; K263-D294 PolarHBondContact N-OD2 3.22Å; K263-D294 VanDerWaalsContact N-OD2 3.16Å
264	S	95.6	Very high	96.4	Very high	95 Å²	95	44.3 Å²	44.3	66%	0.664	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-7.2	175.2	64	0	0	0	0	115	P262 D294	P262-S264 PolarHBondContact O-N 3.44Å; P262-S264 VanDerWaalsContact O-N 3.14Å; S264-D294 WeakPolarHBondContact CB-OD2 3.49Å; S264-D294 PolarHBondContact N-OD2 3.05Å; S264-D294 PolarHBondContact OG-OD1 3.42Å; S264-D294 PolarHBondContact OG-OD2 2.86Å
265	V	95.9	Very high	96.7	Very high	25 Å²	25	40.4 Å²	40.4	15%	0.152	23%	0.234	C	C	.	.	S	Bend	trans	-68.5	144.4	-174.4	83.5	0	0	0	0	112.2	L261 P262 K263 Y268 K271 P313	L261-V265 HydrophobicContact CD1-CG1 3.92Å; L261-V265 HydrophobicContact CG-CG1 4.37Å; P262-V265 HydrophobicContact CB-CB 4.38Å; P262-V265 HydrophobicContact CG-CB 3.96Å; P262-V265 HydrophobicContact CG-CG2 4.36Å; P262-V265 VanDerWaalsContact O-CB 3.27Å; P262-V265 WeakPolarHBondContact O-CB 3.37Å; P262-V265 WeakPolarHBondContact O-CG1 3.39Å; P262-V265 PolarHBondContact O-N 2.92Å; K263-V265 VanDerWaalsContact C-N 3.32Å; V265-Y268 HydrophobicContact CG1-CD2 4.1Å; V265-K271 HydrophobicContact CG1-CD 4.32Å; V265-P313 HydrophobicContact CG2-CG 4.13Å
266	S	95.3	Very high	96.8	Very high	96 Å²	96	41.7 Å²	41.7	67%	0.671	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	139.8	167.5	56.3	0	0	0	0	111.2	Y268 K271	S266-Y268 VanDerWaalsContact C-N 3.35Å; S266-Y268 PolarHBondContact O-N 3.2Å; S266-K271 WeakPolarHBondContact O-CE 3.2Å; S266-K271 PolarHBondContact O-NZ 3.03Å
267	D	95.8	Very high	96.8	Very high	112 Å²	112	44.7 Å²	44.7	60%	0.599	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	45.6	-179.7	-169	37.3	0	0	0	113.4	D269 G270 K271	D267-D269 PolarHBondContact O-N 3.19Å; D267-G270 PolarHBondContact O-N 2.88Å; D267-G270 WeakPolarHBondContact OD1-CA 3.38Å; D267-G270 PolarHBondContact OD1-N 2.54Å; D267-K271 WeakPolarHBondContact O-CG 3.17Å; D267-K271 PolarHBondContact O-N 3.31Å; D267-K271 VanDerWaalsContact O-N 3.08Å
268	Y	97	Very high	96.8	Very high	36 Å²	36	44.7 Å²	44.7	14%	0.141	26%	0.256	C	S	.	.	H	α-helix	trans	-51.8	-52.6	176.8	178.8	-86.5	0	0	0	111.7	L261 K263 V265 S266 G270 K271 L272 F290	L261-Y268 HydrophobicContact CB-CE2 4.21Å; L261-Y268 HydrophobicContact CD2-CD2 3.61Å; L261-Y268 HydrophobicContact CD2-CE1 4.33Å; L261-Y268 HydrophobicContact CD2-CE2 3.38Å; L261-Y268 HydrophobicContact CD2-CG 4.18Å; L261-Y268 HydrophobicContact CG-CD2 3.65Å; L261-Y268 HydrophobicContact CG-CE2 3.55Å; K263-Y268 HydrophobicContact CD-CE2 3.75Å; K263-Y268 VanDerWaalsContact CE-OH 3.29Å; K263-Y268 WeakPolarHBondContact CE-OH 3.32Å; K263-Y268 HydrophobicContact CG-CE2 4.44Å; V265-Y268 HydrophobicContact CG1-CD2 4.1Å; S266-Y268 VanDerWaalsContact C-N 3.35Å; S266-Y268 PolarHBondContact O-N 3.2Å; Y268-G270 PolarHBondContact O-N 3.13Å; Y268-K271 PolarHBondContact O-N 3.18Å; Y268-L272 HydrophobicContact CE1-CD2 3.82Å; Y268-L272 WeakPolarHBondContact O-CB 3.36Å; Y268-L272 PolarHBondContact O-N 3.35Å; Y268-F290 WeakPolarHBondContact OH-CE2 3.37Å
269	D	96	Very high	96.8	Very high	125 Å²	125	44.1 Å²	44.1	67%	0.668	25%	0.253	S	S	*	.	H	α-helix	trans	-66.1	-37.2	-177.2	-66.3	-33.2	0	0	0	112.5	D267 L272 S273	D267-D269 PolarHBondContact O-N 3.19Å; D269-L272 PolarHBondContact O-N 3.09Å; D269-S273 WeakPolarHBondContact O-CB 3.28Å; D269-S273 PolarHBondContact O-N 2.85Å
270	G	96.9	Very high	96.5	Very high	21 Å²	21	50 Å²	50	22%	0.216	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-44.3	176.5	0	0	0	0	0	112.1	D267 Y268 S273 N274	D267-G270 PolarHBondContact O-N 2.88Å; D267-G270 WeakPolarHBondContact OD1-CA 3.38Å; D267-G270 PolarHBondContact OD1-N 2.54Å; Y268-G270 PolarHBondContact O-N 3.13Å; G270-S273 PolarHBondContact O-N 2.88Å; G270-N274 PolarHBondContact O-N 3.2Å
271	K	97.2	Very high	96.4	Very high	42 Å²	42	53.2 Å²	53.2	18%	0.183	30%	0.303	C	S	.	.	H	α-helix	trans	-65.8	-43.1	176	-69.9	168.7	-178.9	163.1	0	112.1	L261 V265 S266 D267 Y268 S273 N274 F275 P313	L261-K271 HydrophobicContact CD1-CB 3.96Å; L261-K271 HydrophobicContact CD1-CD 4.05Å; V265-K271 HydrophobicContact CG1-CD 4.32Å; S266-K271 WeakPolarHBondContact O-CE 3.2Å; S266-K271 PolarHBondContact O-NZ 3.03Å; D267-K271 WeakPolarHBondContact O-CG 3.17Å; D267-K271 PolarHBondContact O-N 3.31Å; D267-K271 VanDerWaalsContact O-N 3.08Å; Y268-K271 PolarHBondContact O-N 3.18Å; K271-S273 VanDerWaalsContact C-N 3.31Å; K271-S273 PolarHBondContact O-N 3.09Å; K271-N274 WeakPolarHBondContact O-CB 3.41Å; K271-N274 PolarHBondContact O-N 3.47Å; K271-F275 PolarHBondContact O-N 2.94Å; K271-F275 VanDerWaalsContact O-N 3.11Å; K271-P313 HydrophobicContact CD-CG 4.3Å
272	L	97.1	Very high	96.3	Very high	31 Å²	31	53.4 Å²	53.4	16%	0.162	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-37.6	175.9	-173.8	59.5	0	0	0	111.4	L261 Y268 D269 F275 K276 F290	L261-L272 HydrophobicContact CD2-CB 3.96Å; L261-L272 HydrophobicContact CD2-CD1 4.41Å; Y268-L272 HydrophobicContact CE1-CD2 3.82Å; Y268-L272 WeakPolarHBondContact O-CB 3.36Å; Y268-L272 PolarHBondContact O-N 3.35Å; D269-L272 PolarHBondContact O-N 3.09Å; L272-F275 WeakPolarHBondContact O-CB 3.43Å; L272-F275 PolarHBondContact O-N 2.66Å; L272-K276 WeakPolarHBondContact O-CB 3.41Å; L272-K276 PolarHBondContact O-N 2.95Å; L272-F290 HydrophobicContact CD1-CB 4.14Å; L272-F290 HydrophobicContact CD1-CD1 3.83Å; L272-F290 HydrophobicContact CD1-CD2 4.28Å; L272-F290 HydrophobicContact CD1-CE1 4.26Å; L272-F290 HydrophobicContact CD1-CG 3.82Å; L272-F290 HydrophobicContact CD2-CZ 4.45Å
273	S	96.5	Very high	95.8	Very high	66 Å²	66	57.8 Å²	57.8	46%	0.462	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-40.3	174.7	-174.3	0	0	0	0	112.5	D269 G270 K271 F275 K276 T277	D269-S273 WeakPolarHBondContact O-CB 3.28Å; D269-S273 PolarHBondContact O-N 2.85Å; G270-S273 PolarHBondContact O-N 2.88Å; K271-S273 VanDerWaalsContact C-N 3.31Å; K271-S273 PolarHBondContact O-N 3.09Å; S273-F275 VanDerWaalsContact C-N 3.32Å; S273-F275 PolarHBondContact O-N 3.34Å; S273-K276 PolarHBondContact O-N 3.21Å; S273-T277 WeakPolarHBondContact O-CB 3.48Å; S273-T277 PolarHBondContact O-N 3.38Å; S273-T277 PolarHBondContact O-OG1 2.87Å
274	N	97.6	Very high	95.3	Very high	53 Å²	53	55.1 Å²	55.1	28%	0.283	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-43.4	172.8	-71.9	-14.7	0	0	0	111.6	G270 K271 T277 A278 L334 A336	G270-N274 PolarHBondContact O-N 3.2Å; K271-N274 WeakPolarHBondContact O-CB 3.41Å; K271-N274 PolarHBondContact O-N 3.47Å; N274-T277 PolarHBondContact O-N 2.89Å; N274-A278 PolarHBondContact O-N 3.34Å; N274-A278 VanDerWaalsContact O-N 3.09Å; N274-L334 PolarHBondContact ND2-O 3.45Å; N274-A336 HydrophobicContact CB-CB 4.43Å; N274-A336 WeakPolarHBondContact O-CB 3.47Å
275	F	97.9	Very high	95.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.4	-42.1	177.3	-166.6	-114.4	0	0	0	111.9	V237 I257 L259 K271 L272 S273 A278 A279 F288 I289 V315 I339	V237-F275 HydrophobicContact CG1-CD1 3.93Å; V237-F275 HydrophobicContact CG1-CE1 4.34Å; I257-F275 HydrophobicContact CD1-CE2 4.19Å; I257-F275 HydrophobicContact CG1-CE2 4.13Å; I257-F275 HydrophobicContact CG1-CZ 4.35Å; I257-F275 HydrophobicContact CG2-CE2 4.28Å; I257-F275 HydrophobicContact CG2-CZ 3.96Å; L259-F275 HydrophobicContact CB-CD1 4.04Å; L259-F275 HydrophobicContact CB-CD2 3.9Å; L259-F275 HydrophobicContact CB-CE1 3.83Å; L259-F275 HydrophobicContact CB-CE2 3.71Å; L259-F275 HydrophobicContact CB-CG 4.07Å; L259-F275 HydrophobicContact CB-CZ 3.66Å; L259-F275 HydrophobicContact CD2-CB 3.77Å; L259-F275 HydrophobicContact CD2-CD1 4.03Å; L259-F275 HydrophobicContact CD2-CD2 4.13Å; L259-F275 HydrophobicContact CD2-CG 3.74Å; L259-F275 HydrophobicContact CG-CD2 4.47Å; L259-F275 HydrophobicContact CG-CG 4.48Å; K271-F275 PolarHBondContact O-N 2.94Å; K271-F275 VanDerWaalsContact O-N 3.11Å; L272-F275 WeakPolarHBondContact O-CB 3.43Å; L272-F275 PolarHBondContact O-N 2.66Å; S273-F275 VanDerWaalsContact C-N 3.32Å; S273-F275 PolarHBondContact O-N 3.34Å; F275-A278 PolarHBondContact O-N 2.76Å; F275-A279 PolarHBondContact O-N 3.15Å; F275-F288 HydrophobicContact CD1-CD1 4.02Å; F275-F288 AromaticContact CD2-CD1 3.98Å; F275-F288 HydrophobicContact CD2-CD1 3.98Å; F275-F288 HydrophobicContact CD2-CE1 4.23Å; F275-F288 HydrophobicContact CE1-CB 3.8Å; F275-F288 AromaticContact CE1-CD1 3.67Å; F275-F288 HydrophobicContact CE1-CD1 3.67Å; F275-F288 HydrophobicContact CE1-CG 4.2Å; F275-F288 AromaticContact CE2-CD1 3.61Å; F275-F288 HydrophobicContact CE2-CD1 3.61Å; F275-F288 AromaticContact CE2-CE1 3.96Å; F275-F288 HydrophobicContact CE2-CE1 3.96Å; F275-F288 HydrophobicContact CG-CD1 4.18Å; F275-F288 HydrophobicContact CZ-CB 4.07Å; F275-F288 AromaticContact CZ-CD1 3.45Å; F275-F288 HydrophobicContact CZ-CD1 3.45Å; F275-F288 VanDerWaalsContact CZ-CD1 3.45Å; F275-F288 HydrophobicContact CZ-CE1 4.25Å; F275-F288 HydrophobicContact CZ-CG 4.09Å; F275-I289 VanDerWaalsContact CE1-O 3.31Å; F275-I289 WeakPolarHBondContact CE1-O 3.44Å; F275-I289 WeakPolarHBondContact CZ-O 3.32Å; F275-V315 HydrophobicContact CE2-CG2 4.49Å; F275-I339 HydrophobicContact CB-CD1 4.48Å; F275-I339 HydrophobicContact CD2-CD1 4.06Å; F275-I339 HydrophobicContact CD2-CG2 4.17Å; F275-I339 HydrophobicContact CE2-CG2 4.39Å
276	K	96.2	Very high	95.2	Very high	47 Å²	47	55.8 Å²	55.8	20%	0.204	31%	0.312	C	S	.	.	H	α-helix	trans	-60.9	-44.3	174.5	-176.5	62.2	166.3	77.6	0	112.6	D210 L236 V237 L272 S273 A278 A279	D210-K276 WeakPolarHBondContact OD1-CE 3.5Å; D210-K276 IonicContact OD1-NZ 2.67Å; D210-K276 PolarHBondContact OD1-NZ 2.97Å; L236-K276 HydrophobicContact CB-CD 4.13Å; L236-K276 HydrophobicContact CD2-CD 4.09Å; L236-K276 HydrophobicContact CG-CD 4.46Å; V237-K276 HydrophobicContact CB-CD 4.25Å; V237-K276 HydrophobicContact CG1-CB 4.24Å; V237-K276 HydrophobicContact CG1-CD 3.65Å; V237-K276 HydrophobicContact CG2-CD 3.71Å; L272-K276 WeakPolarHBondContact O-CB 3.41Å; L272-K276 PolarHBondContact O-N 2.95Å; S273-K276 PolarHBondContact O-N 3.21Å; K276-A278 VanDerWaalsContact C-N 3.33Å; K276-A278 PolarHBondContact O-N 3.36Å; K276-A279 WeakPolarHBondContact O-CB 3.48Å; K276-A279 PolarHBondContact O-N 2.7Å
277	T	96.7	Very high	95.1	Very high	66 Å²	66	52.2 Å²	52.2	41%	0.405	29%	0.285	S	S	.	.	H	α-helix	trans	-61.4	-43.3	177.9	-57.1	0	0	0	0	110.7	S273 N274 A279 E280 A336	S273-T277 WeakPolarHBondContact O-CB 3.48Å; S273-T277 PolarHBondContact O-N 3.38Å; S273-T277 PolarHBondContact O-OG1 2.87Å; N274-T277 PolarHBondContact O-N 2.89Å; T277-A279 VanDerWaalsContact C-N 3.34Å; T277-A279 PolarHBondContact O-N 2.75Å; T277-E280 PolarHBondContact O-N 2.89Å; T277-A336 HydrophobicContact CG2-CB 3.93Å
278	A	97.6	Very high	95.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-39.7	176.2	0	0	0	0	0	112.1	N274 F275 K276 E280 S281 F282 F288 I339	N274-A278 PolarHBondContact O-N 3.34Å; N274-A278 VanDerWaalsContact O-N 3.09Å; F275-A278 PolarHBondContact O-N 2.76Å; K276-A278 VanDerWaalsContact C-N 3.33Å; K276-A278 PolarHBondContact O-N 3.36Å; A278-E280 PolarHBondContact O-N 3.08Å; A278-E280 VanDerWaalsContact O-N 3.14Å; A278-S281 PolarHBondContact O-N 3.04Å; A278-F282 WeakPolarHBondContact O-CD2 3.29Å; A278-F282 VanDerWaalsContact O-CE2 3.25Å; A278-F282 WeakPolarHBondContact O-CE2 3.19Å; A278-F288 HydrophobicContact CB-CE1 4.08Å; A278-I339 HydrophobicContact CB-CB 3.81Å; A278-I339 HydrophobicContact CB-CG2 3.56Å
279	A	96.8	Very high	95.3	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-28.8	-177.9	0	0	0	0	0	113.9	L236 V237 F275 K276 T277 S281 F282 F288	L236-A279 HydrophobicContact CD1-CB 4.5Å; L236-A279 HydrophobicContact CD2-CB 3.89Å; L236-A279 HydrophobicContact CG-CB 3.75Å; V237-A279 HydrophobicContact CG1-CB 3.95Å; F275-A279 PolarHBondContact O-N 3.15Å; K276-A279 WeakPolarHBondContact O-CB 3.48Å; K276-A279 PolarHBondContact O-N 2.7Å; T277-A279 VanDerWaalsContact C-N 3.34Å; T277-A279 PolarHBondContact O-N 2.75Å; A279-S281 PolarHBondContact O-N 2.89Å; A279-S281 VanDerWaalsContact O-N 3.13Å; A279-F282 PolarHBondContact O-N 3.45Å; A279-F282 VanDerWaalsContact O-N 3.09Å; A279-F288 HydrophobicContact CB-CB 3.87Å; A279-F288 HydrophobicContact CB-CD1 3.46Å; A279-F288 VanDerWaalsContact CB-CD1 3.46Å; A279-F288 HydrophobicContact CB-CD2 3.8Å; A279-F288 HydrophobicContact CB-CE1 3.88Å; A279-F288 HydrophobicContact CB-CE2 4.22Å; A279-F288 HydrophobicContact CB-CG 3.42Å; A279-F288 VanDerWaalsContact CB-CG 3.42Å; A279-F288 HydrophobicContact CB-CZ 4.25Å
280	E	93.2	Very high	95.3	Very high	126 Å²	126	40.2 Å²	40.2	59%	0.589	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-56.9	-30.3	179.8	-65.9	178	-171.9	0	0	113.1	L236 T277 A278 F282	L236-E280 HydrophobicContact CD2-CB 4.33Å; L236-E280 HydrophobicContact CD2-CG 3.61Å; T277-E280 PolarHBondContact O-N 2.89Å; A278-E280 PolarHBondContact O-N 3.08Å; A278-E280 VanDerWaalsContact O-N 3.14Å; E280-F282 VanDerWaalsContact C-N 3.33Å; E280-F282 PolarHBondContact O-N 3.04Å
281	S	94.3	Very high	95.4	Very high	68 Å²	68	39.2 Å²	39.2	48%	0.476	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-80.5	-9.9	-177.9	-61.8	0	0	0	0	114.2	A278 A279	A278-S281 PolarHBondContact O-N 3.04Å; A279-S281 PolarHBondContact O-N 2.89Å; A279-S281 VanDerWaalsContact O-N 3.13Å
282	F	95.3	Very high	95.4	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.018	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-128.5	15.7	-168.5	-50.2	-77.7	0	0	0	114.6	A278 A279 E280 G284 K285 I286 F288 T340 C343 H344 L347	A278-F282 WeakPolarHBondContact O-CD2 3.29Å; A278-F282 VanDerWaalsContact O-CE2 3.25Å; A278-F282 WeakPolarHBondContact O-CE2 3.19Å; A279-F282 PolarHBondContact O-N 3.45Å; A279-F282 VanDerWaalsContact O-N 3.09Å; E280-F282 VanDerWaalsContact C-N 3.33Å; E280-F282 PolarHBondContact O-N 3.04Å; F282-G284 PolarHBondContact O-N 3.12Å; F282-K285 PolarHBondContact O-N 2.85Å; F282-I286 HydrophobicContact CB-CB 4.06Å; F282-I286 HydrophobicContact CB-CG1 4.35Å; F282-I286 HydrophobicContact CD1-CD1 4.14Å; F282-I286 HydrophobicContact CG-CD1 4.34Å; F282-I286 PolarHBondContact O-N 2.77Å; F282-I286 VanDerWaalsContact O-N 3.08Å; F282-F288 HydrophobicContact CB-CE2 3.82Å; F282-F288 AromaticContact CD2-CE2 3.66Å; F282-F288 HydrophobicContact CD2-CE2 3.66Å; F282-F288 AromaticContact CD2-CZ 3.52Å; F282-F288 HydrophobicContact CD2-CZ 3.52Å; F282-F288 HydrophobicContact CE2-CZ 4.1Å; F282-F288 HydrophobicContact CG-CE2 4.06Å; F282-F288 HydrophobicContact CG-CZ 4.33Å; F282-T340 HydrophobicContact CE2-CG2 4.18Å; F282-T340 HydrophobicContact CZ-CG2 3.89Å; F282-C343 HydrophobicContact CD1-CB 4.03Å; F282-C343 HydrophobicContact CD2-CB 4.18Å; F282-C343 HydrophobicContact CE1-CB 3.44Å; F282-C343 VanDerWaalsContact CE1-CB 3.44Å; F282-C343 HydrophobicContact CE2-CB 3.61Å; F282-C343 HydrophobicContact CG-CB 4.36Å; F282-C343 HydrophobicContact CZ-CB 3.2Å; F282-H344 AromaticContact CE1-CD2 3.61Å; F282-H344 AromaticContact CE1-NE2 3.88Å; F282-H344 AromaticContact CZ-CD2 3.52Å; F282-H344 AromaticContact CZ-NE2 3.94Å; F282-L347 HydrophobicContact CD1-CD1 3.93Å; F282-L347 HydrophobicContact CE1-CD1 4.1Å
283	K	87.1	Confident	95.3	Very high	101 Å²	101	36.7 Å²	36.7	44%	0.439	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	127.2	175.9	-158.3	170.9	-170	168.5	0	110.3	E211 L236 K285	E211-K283 IonicContact OE1-NZ 3.82Å; E211-K283 PolarHBondContact OE1-NZ 3.35Å; E211-K283 IonicContact OE2-NZ 2.76Å; L236-K283 HydrophobicContact CD1-CB 4.25Å; L236-K283 HydrophobicContact CD1-CD 4.09Å; L236-K283 HydrophobicContact CD1-CG 4.01Å; K283-K285 VanDerWaalsContact C-N 3.29Å; K283-K285 PolarHBondContact O-N 2.88Å
284	G	86.2	Confident	95.2	Very high	42 Å²	42	36.4 Å²	36.4	43%	0.433	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	-2	-177	0	0	0	0	0	115.8	F282	F282-G284 PolarHBondContact O-N 3.12Å
285	K	92.1	Very high	95.1	Very high	129 Å²	129	38.2 Å²	38.2	56%	0.561	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.8	-44	-179.3	-60.7	178.3	-175.5	173.5	0	113	I253 F282 K283	I253-K285 WeakPolarHBondContact CG2-O 3.36Å; F282-K285 PolarHBondContact O-N 2.85Å; K283-K285 VanDerWaalsContact C-N 3.29Å; K283-K285 PolarHBondContact O-N 2.88Å
286	I	95.7	Very high	94.8	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.026	23%	0.228	C	C	.	.	S	Bend	trans	-132.6	130.3	179.8	-55.7	179.3	0	0	0	107.5	T255 I257 F282 F288 L317 C343 F346 L347	T255-I286 HydrophobicContact CG2-CG1 4.04Å; T255-I286 HydrophobicContact CG2-CG2 4.22Å; T255-I286 WeakPolarHBondContact O-CA 3.48Å; I257-I286 HydrophobicContact CB-CG2 3.91Å; I257-I286 HydrophobicContact CG2-CG2 3.6Å; F282-I286 HydrophobicContact CB-CB 4.06Å; F282-I286 HydrophobicContact CB-CG1 4.35Å; F282-I286 HydrophobicContact CD1-CD1 4.14Å; F282-I286 HydrophobicContact CG-CD1 4.34Å; F282-I286 PolarHBondContact O-N 2.77Å; F282-I286 VanDerWaalsContact O-N 3.08Å; I286-F288 HydrophobicContact CB-CD2 4.44Å; I286-F288 HydrophobicContact CB-CE2 4.05Å; I286-F288 HydrophobicContact CG2-CD2 4.19Å; I286-F288 HydrophobicContact CG2-CE2 3.94Å; I286-L317 HydrophobicContact CD1-CD1 4.38Å; I286-C343 HydrophobicContact CD1-CB 3.84Å; I286-F346 HydrophobicContact CD1-CD1 4.31Å; I286-L347 HydrophobicContact CD1-CD1 4.09Å; I286-L347 HydrophobicContact CD1-CD2 4.26Å; I286-L347 HydrophobicContact CD1-CG 4.11Å; I286-L347 HydrophobicContact CG1-CD2 4.4Å
287	L	95	Very high	94.5	Very high	22 Å²	22	45.3 Å²	45.3	12%	0.115	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	119.9	175.8	-167.1	60.8	0	0	0	109.6	I238 I248 I253 T255 H256 I257 I289	I238-L287 HydrophobicContact CD1-CD1 3.58Å; I238-L287 HydrophobicContact CD1-CD2 4.06Å; I238-L287 HydrophobicContact CD1-CG 4.01Å; I248-L287 HydrophobicContact CG1-CD2 4.43Å; I248-L287 HydrophobicContact CG2-CD2 4.17Å; I253-L287 HydrophobicContact CB-CB 4.36Å; I253-L287 HydrophobicContact CD1-CD1 4.48Å; I253-L287 HydrophobicContact CG2-CB 4.13Å; T255-L287 PolarHBondContact O-N 2.92Å; H256-L287 WeakPolarHBondContact CA-O 3.31Å; I257-L287 PolarHBondContact N-O 2.71Å; L287-I289 HydrophobicContact CD2-CD1 4.22Å; L287-I289 HydrophobicContact CD2-CG1 4.5Å; L287-I289 HydrophobicContact CG-CD1 4.38Å; L287-I289 HydrophobicContact CG-CG1 4.25Å
288	F	97.7	Very high	94.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.009	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.7	179.8	-80.7	-118.1	0	0	0	110.2	V237 I238 I257 F275 A278 A279 F282 I286 I339	V237-F288 WeakPolarHBondContact CA-O 3.16Å; V237-F288 HydrophobicContact CG1-CB 3.96Å; I238-F288 PolarHBondContact N-O 2.78Å; I257-F288 HydrophobicContact CD1-CE1 4.4Å; I257-F288 HydrophobicContact CD1-CZ 4.5Å; I257-F288 HydrophobicContact CG2-CB 4.08Å; I257-F288 HydrophobicContact CG2-CD1 3.58Å; I257-F288 HydrophobicContact CG2-CD2 3.44Å; I257-F288 VanDerWaalsContact CG2-CD2 3.44Å; I257-F288 HydrophobicContact CG2-CE1 3.77Å; I257-F288 HydrophobicContact CG2-CE2 3.61Å; I257-F288 HydrophobicContact CG2-CG 3.41Å; I257-F288 VanDerWaalsContact CG2-CG 3.41Å; I257-F288 HydrophobicContact CG2-CZ 3.77Å; F275-F288 HydrophobicContact CD1-CD1 4.02Å; F275-F288 AromaticContact CD2-CD1 3.98Å; F275-F288 HydrophobicContact CD2-CD1 3.98Å; F275-F288 HydrophobicContact CD2-CE1 4.23Å; F275-F288 HydrophobicContact CE1-CB 3.8Å; F275-F288 AromaticContact CE1-CD1 3.67Å; F275-F288 HydrophobicContact CE1-CD1 3.67Å; F275-F288 HydrophobicContact CE1-CG 4.2Å; F275-F288 AromaticContact CE2-CD1 3.61Å; F275-F288 HydrophobicContact CE2-CD1 3.61Å; F275-F288 AromaticContact CE2-CE1 3.96Å; F275-F288 HydrophobicContact CE2-CE1 3.96Å; F275-F288 HydrophobicContact CG-CD1 4.18Å; F275-F288 HydrophobicContact CZ-CB 4.07Å; F275-F288 AromaticContact CZ-CD1 3.45Å; F275-F288 HydrophobicContact CZ-CD1 3.45Å; F275-F288 VanDerWaalsContact CZ-CD1 3.45Å; F275-F288 HydrophobicContact CZ-CE1 4.25Å; F275-F288 HydrophobicContact CZ-CG 4.09Å; A278-F288 HydrophobicContact CB-CE1 4.08Å; A279-F288 HydrophobicContact CB-CB 3.87Å; A279-F288 HydrophobicContact CB-CD1 3.46Å; A279-F288 VanDerWaalsContact CB-CD1 3.46Å; A279-F288 HydrophobicContact CB-CD2 3.8Å; A279-F288 HydrophobicContact CB-CE1 3.88Å; A279-F288 HydrophobicContact CB-CE2 4.22Å; A279-F288 HydrophobicContact CB-CG 3.42Å; A279-F288 VanDerWaalsContact CB-CG 3.42Å; A279-F288 HydrophobicContact CB-CZ 4.25Å; F282-F288 HydrophobicContact CB-CE2 3.82Å; F282-F288 AromaticContact CD2-CE2 3.66Å; F282-F288 HydrophobicContact CD2-CE2 3.66Å; F282-F288 AromaticContact CD2-CZ 3.52Å; F282-F288 HydrophobicContact CD2-CZ 3.52Å; F282-F288 HydrophobicContact CE2-CZ 4.1Å; F282-F288 HydrophobicContact CG-CE2 4.06Å; F282-F288 HydrophobicContact CG-CZ 4.33Å; I286-F288 HydrophobicContact CB-CD2 4.44Å; I286-F288 HydrophobicContact CB-CE2 4.05Å; I286-F288 HydrophobicContact CG2-CD2 4.19Å; I286-F288 HydrophobicContact CG2-CE2 3.94Å; F288-I339 HydrophobicContact CE1-CG2 3.97Å
289	I	97.7	Very high	93.8	Very high	3 Å²	3	47 Å²	47	2%	0.015	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.5	-176.9	-62.2	167.9	0	0	0	108.3	I238 F240 I248 H256 I257 L258 L259 F275 L287	I238-I289 CarbonylContact O-C 3.53Å; I238-I289 VanDerWaalsContact O-CA 3.26Å; I238-I289 WeakPolarHBondContact O-CA 3.36Å; F240-I289 HydrophobicContact CB-CG2 3.73Å; I248-I289 HydrophobicContact CB-CD1 4.43Å; I248-I289 HydrophobicContact CD1-CD1 3.96Å; I248-I289 HydrophobicContact CD1-CG1 4.26Å; I248-I289 HydrophobicContact CD1-CG2 4.38Å; I248-I289 HydrophobicContact CG1-CD1 4.11Å; I248-I289 HydrophobicContact CG2-CD1 3.48Å; I248-I289 VanDerWaalsContact CG2-CD1 3.48Å; H256-I289 HydrophobicContact CB-CD1 4.39Å; I257-I289 PolarHBondContact O-N 3.44Å; L258-I289 CarbonylContact C-O 3.53Å; L258-I289 VanDerWaalsContact CA-O 3.31Å; L258-I289 WeakPolarHBondContact CA-O 3.47Å; L258-I289 HydrophobicContact CG-CB 4.35Å; L259-I289 PolarHBondContact N-O 2.81Å; F275-I289 VanDerWaalsContact CE1-O 3.31Å; F275-I289 WeakPolarHBondContact CE1-O 3.44Å; F275-I289 WeakPolarHBondContact CZ-O 3.32Å; L287-I289 HydrophobicContact CD2-CD1 4.22Å; L287-I289 HydrophobicContact CD2-CG1 4.5Å; L287-I289 HydrophobicContact CG-CD1 4.38Å; L287-I289 HydrophobicContact CG-CG1 4.25Å
290	F	97.8	Very high	93.3	Very high	15 Å²	15	56.6 Å²	56.6	7%	0.066	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	148.1	165.6	75	-81.4	0	0	0	110	I238 E239 F240 L259 Y268 L272	I238-F290 WeakPolarHBondContact O-CD1 3.33Å; I238-F290 PolarHBondContact O-N 3.38Å; E239-F290 CarbonylContact C-O 3.55Å; E239-F290 VanDerWaalsContact CA-CE1 3.44Å; E239-F290 WeakPolarHBondContact CA-O 3.19Å; E239-F290 HydrophobicContact CB-CD1 4.33Å; E239-F290 HydrophobicContact CB-CE1 3.56Å; E239-F290 HydrophobicContact CB-CE2 3.85Å; E239-F290 HydrophobicContact CB-CZ 3.29Å; E239-F290 VanDerWaalsContact CD-CE2 3.47Å; E239-F290 HydrophobicContact CG-CD2 4.18Å; E239-F290 HydrophobicContact CG-CE1 4.15Å; E239-F290 HydrophobicContact CG-CE2 3.45Å; E239-F290 VanDerWaalsContact CG-CE2 3.45Å; E239-F290 HydrophobicContact CG-CZ 3.46Å; E239-F290 VanDerWaalsContact CG-CZ 3.46Å; F240-F290 PolarHBondContact N-O 3.11Å; L259-F290 HydrophobicContact CB-CB 4.18Å; L259-F290 HydrophobicContact CD2-CB 4.44Å; L259-F290 CarbonylContact O-C 3.47Å; L259-F290 VanDerWaalsContact O-CA 3.22Å; L259-F290 WeakPolarHBondContact O-CA 3.01Å; Y268-F290 WeakPolarHBondContact OH-CE2 3.37Å; L272-F290 HydrophobicContact CD1-CB 4.14Å; L272-F290 HydrophobicContact CD1-CD1 3.83Å; L272-F290 HydrophobicContact CD1-CD2 4.28Å; L272-F290 HydrophobicContact CD1-CE1 4.26Å; L272-F290 HydrophobicContact CD1-CG 3.82Å; L272-F290 HydrophobicContact CD2-CZ 4.45Å
291	I	97.3	Very high	93.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	133.3	-175.1	-176.6	172.8	0	0	0	109.3	F240 L259 F260 L261 S293 N298 I301	F240-I291 HydrophobicContact CB-CB 3.98Å; F240-I291 HydrophobicContact CB-CD1 4.34Å; F240-I291 HydrophobicContact CB-CG1 4.09Å; F240-I291 HydrophobicContact CD1-CD1 3.84Å; F240-I291 HydrophobicContact CD1-CG1 4.22Å; F240-I291 HydrophobicContact CG-CD1 4.21Å; F240-I291 HydrophobicContact CG-CG1 4.46Å; L259-I291 PolarHBondContact O-N 3.38Å; F260-I291 HydrophobicContact CB-CG2 4.2Å; F260-I291 HydrophobicContact CD1-CG2 3.3Å; F260-I291 HydrophobicContact CD2-CG2 4.39Å; F260-I291 HydrophobicContact CE1-CD1 4.42Å; F260-I291 HydrophobicContact CE1-CG2 3.63Å; F260-I291 HydrophobicContact CG-CG2 3.73Å; F260-I291 HydrophobicContact CZ-CG2 4.28Å; L261-I291 PolarHBondContact N-O 2.95Å; I291-S293 PolarHBondContact O-N 3.03Å; I291-N298 HydrophobicContact CD1-CB 3.74Å; I291-N298 HydrophobicContact CG1-CB 3.94Å; I291-N298 WeakPolarHBondContact CG1-ND2 3.24Å; I291-I301 HydrophobicContact CD1-CB 3.93Å; I291-I301 HydrophobicContact CD1-CD1 3.69Å; I291-I301 HydrophobicContact CD1-CG1 4.37Å; I291-I301 HydrophobicContact CD1-CG2 3.81Å
292	D	97.3	Very high	92.9	Very high	20 Å²	20	49.3 Å²	49.3	11%	0.107	24%	0.243	C	C	.	.			trans	-73	106.3	174.7	-179.5	15.8	0	0	0	110.5	K263 D294 H295 N298	K263-D292 HydrophobicContact CG-CB 4.06Å; K263-D292 WeakPolarHBondContact CG-OD1 3.46Å; K263-D292 VanDerWaalsContact CG-OD2 3.3Å; K263-D292 WeakPolarHBondContact CG-OD2 3.31Å; K263-D292 PolarHBondContact N-OD1 3.24Å; K263-D292 VanDerWaalsContact N-OD1 3.16Å; D292-D294 PolarHBondContact O-N 2.82Å; D292-D294 WeakPolarHBondContact OD1-CB 3.42Å; D292-D294 PolarHBondContact OD1-N 2.88Å; D292-H295 HydrophobicContact CB-CB 4.27Å; D292-H295 PolarHBondContact O-N 2.81Å; D292-N298 WeakPolarHBondContact O-CB 3.37Å; D292-N298 PolarHBondContact O-ND2 3.19Å
293	S	95.8	Very high	92.5	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.007	26%	0.264	C	S	.	.	S	Bend	trans	-73.9	-11.7	178.6	54.9	0	0	0	0	114	P262 I291 K309 C312	P262-S293 VanDerWaalsContact CA-OG 3.28Å; P262-S293 WeakPolarHBondContact CA-OG 3.26Å; P262-S293 VanDerWaalsContact CB-OG 3.3Å; P262-S293 WeakPolarHBondContact CB-OG 3.22Å; P262-S293 VanDerWaalsContact CD-OG 3.3Å; P262-S293 WeakPolarHBondContact CD-OG 3.44Å; P262-S293 WeakPolarHBondContact CG-OG 3.32Å; P262-S293 VanDerWaalsContact N-OG 3.13Å; I291-S293 PolarHBondContact O-N 3.03Å; S293-K309 WeakPolarHBondContact O-CE 3.31Å; S293-C312 WeakPolarHBondContact OG-CB 3.23Å
294	D	95.2	Very high	92.4	Very high	60 Å²	60	52.3 Å²	52.3	32%	0.321	26%	0.258	S	S	.	.	S	Bend	trans	-78.4	-33.9	175.1	-69.3	-35	0	0	0	111.4	P262 K263 S264 D292 K309	P262-D294 WeakPolarHBondContact CB-OD1 3.21Å; P262-D294 VanDerWaalsContact CB-OD2 3.22Å; P262-D294 WeakPolarHBondContact CB-OD2 3.31Å; K263-D294 PolarHBondContact N-OD2 3.22Å; K263-D294 VanDerWaalsContact N-OD2 3.16Å; S264-D294 WeakPolarHBondContact CB-OD2 3.49Å; S264-D294 PolarHBondContact N-OD2 3.05Å; S264-D294 PolarHBondContact OG-OD1 3.42Å; S264-D294 PolarHBondContact OG-OD2 2.86Å; D292-D294 PolarHBondContact O-N 2.82Å; D292-D294 WeakPolarHBondContact OD1-CB 3.42Å; D292-D294 PolarHBondContact OD1-N 2.88Å; D294-K309 PolarHBondContact O-NZ 3.48Å; D294-K309 VanDerWaalsContact O-NZ 3.09Å
295	H	94	Very high	92.4	Very high	91 Å²	91	50.7 Å²	50.7	42%	0.421	24%	0.239	S	C	.	.	S	Bend	trans	-63.6	130.3	-177.9	-154.3	-80.5	0	0	0	112.1	D292 D297 N298	D292-H295 HydrophobicContact CB-CB 4.27Å; D292-H295 PolarHBondContact O-N 2.81Å; H295-D297 VanDerWaalsContact C-N 3.32Å; H295-D297 VanDerWaalsContact CE1-CG 3.45Å; H295-D297 IonicContact CE1-OD1 3.86Å; H295-D297 IonicContact CE1-OD2 2.9Å; H295-D297 PolarHBondContact CE1-OD2 3.3Å; H295-D297 WeakPolarHBondContact ND1-CB 3.42Å; H295-D297 PolarHBondContact ND1-N 2.99Å; H295-D297 IonicContact ND1-OD1 3.98Å; H295-D297 IonicContact ND1-OD2 2.61Å; H295-D297 PolarHBondContact O-N 3.27Å; H295-N298 PolarHBondContact O-N 2.91Å
296	T	91.9	Very high	92.1	Very high	94 Å²	94	46.2 Å²	46.2	58%	0.577	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-64.7	-35.5	-175.8	46.1	0	0	0	0	113	N298 Q299	T296-N298 PolarHBondContact O-N 3.18Å; T296-N298 VanDerWaalsContact O-N 3.14Å; T296-Q299 WeakPolarHBondContact O-CB 3.45Å; T296-Q299 PolarHBondContact O-N 3.34Å
297	D	89.9	Confident	91.7	Very high	101 Å²	101	46.4 Å²	46.4	54%	0.54	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-64.5	-22	-178.4	-57.2	-0.6	0	0	0	111.9	H295	H295-D297 VanDerWaalsContact C-N 3.32Å; H295-D297 VanDerWaalsContact CE1-CG 3.45Å; H295-D297 IonicContact CE1-OD1 3.86Å; H295-D297 IonicContact CE1-OD2 2.9Å; H295-D297 PolarHBondContact CE1-OD2 3.3Å; H295-D297 WeakPolarHBondContact ND1-CB 3.42Å; H295-D297 PolarHBondContact ND1-N 2.99Å; H295-D297 IonicContact ND1-OD1 3.98Å; H295-D297 IonicContact ND1-OD2 2.61Å; H295-D297 PolarHBondContact O-N 3.27Å
298	N	91.9	Very high	91.4	Very high	14 Å²	14	51.6 Å²	51.6	8%	0.075	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-86.8	-5.7	178.2	-66.6	-26.3	0	0	0	113.3	I291 D292 H295 T296 R300 I301 L302	I291-N298 HydrophobicContact CD1-CB 3.74Å; I291-N298 HydrophobicContact CG1-CB 3.94Å; I291-N298 WeakPolarHBondContact CG1-ND2 3.24Å; D292-N298 WeakPolarHBondContact O-CB 3.37Å; D292-N298 PolarHBondContact O-ND2 3.19Å; H295-N298 PolarHBondContact O-N 2.91Å; T296-N298 PolarHBondContact O-N 3.18Å; T296-N298 VanDerWaalsContact O-N 3.14Å; N298-R300 VanDerWaalsContact C-N 3.3Å; N298-R300 PolarHBondContact O-N 3.17Å; N298-I301 WeakPolarHBondContact O-CB 3.43Å; N298-I301 PolarHBondContact O-N 2.94Å; N298-L302 HydrophobicContact CB-CD1 4.36Å; N298-L302 WeakPolarHBondContact O-CD1 3.37Å; N298-L302 PolarHBondContact O-N 2.89Å
299	Q	88.7	Confident	91	Very high	87 Å²	87	55.3 Å²	55.3	41%	0.407	27%	0.269	S	S	.	.	H	α-helix	trans	-59.2	-38.9	-174.7	-175.4	178.1	-35	0	0	112.7	T296 I301 L302 E303	T296-Q299 WeakPolarHBondContact O-CB 3.45Å; T296-Q299 PolarHBondContact O-N 3.34Å; Q299-I301 PolarHBondContact O-N 3.25Å; Q299-L302 WeakPolarHBondContact O-CB 3.08Å; Q299-L302 PolarHBondContact O-N 2.57Å; Q299-E303 WeakPolarHBondContact CG-OE1 3.37Å; Q299-E303 PolarHBondContact NE2-OE1 3.18Å; Q299-E303 WeakPolarHBondContact O-CG 3.44Å; Q299-E303 PolarHBondContact O-N 2.79Å
300	R	85.6	Confident	90.7	Very high	204 Å²	204	62.2 Å²	62.2	77%	0.77	30%	0.301	S	S	*	.	H	α-helix	trans	-61.6	-32.4	176.5	-71	-177.2	179.5	173.7	1.2	112.7	N298 F304	N298-R300 VanDerWaalsContact C-N 3.3Å; N298-R300 PolarHBondContact O-N 3.17Å; R300-F304 WeakPolarHBondContact O-CB 3.24Å; R300-F304 PolarHBondContact O-N 3.08Å
301	I	89.1	Confident	90.3	Very high	36 Å²	36	66.2 Å²	66.2	19%	0.185	32%	0.32	C	S	.	.	H	α-helix	trans	-72.7	-41.4	177.9	-58.7	-179.1	0	0	0	109.7	F240 L258 F260 I291 N298 Q299 E303 F304 F305	F240-I301 HydrophobicContact CD1-CD1 3.7Å; F240-I301 HydrophobicContact CE1-CD1 3.09Å; F240-I301 HydrophobicContact CE2-CD1 4.13Å; F240-I301 HydrophobicContact CG-CD1 4.43Å; F240-I301 HydrophobicContact CZ-CD1 3.34Å; L258-I301 HydrophobicContact CD2-CG2 4.45Å; F260-I301 HydrophobicContact CE1-CG2 3.96Å; F260-I301 HydrophobicContact CZ-CG2 4.13Å; I291-I301 HydrophobicContact CD1-CB 3.93Å; I291-I301 HydrophobicContact CD1-CD1 3.69Å; I291-I301 HydrophobicContact CD1-CG1 4.37Å; I291-I301 HydrophobicContact CD1-CG2 3.81Å; N298-I301 WeakPolarHBondContact O-CB 3.43Å; N298-I301 PolarHBondContact O-N 2.94Å; Q299-I301 PolarHBondContact O-N 3.25Å; I301-E303 VanDerWaalsContact C-N 3.32Å; I301-E303 PolarHBondContact O-N 2.86Å; I301-F304 PolarHBondContact O-N 3.17Å; I301-F305 HydrophobicContact CG2-CD2 3.95Å; I301-F305 HydrophobicContact CG2-CE2 4.07Å; I301-F305 WeakPolarHBondContact O-CD2 3.45Å; I301-F305 PolarHBondContact O-N 3.4Å
302	L	90.5	Very high	90.2	Very high	4 Å²	4	67 Å²	67	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-57.3	-48.4	172.7	-85.2	75	0	0	0	110.9	F260 N298 Q299 F304 F305 G306 L307 K309	F260-L302 HydrophobicContact CD1-CD1 3.75Å; F260-L302 HydrophobicContact CD1-CG 3.95Å; F260-L302 HydrophobicContact CE1-CD1 3.91Å; F260-L302 HydrophobicContact CE1-CG 4.14Å; N298-L302 HydrophobicContact CB-CD1 4.36Å; N298-L302 WeakPolarHBondContact O-CD1 3.37Å; N298-L302 PolarHBondContact O-N 2.89Å; Q299-L302 WeakPolarHBondContact O-CB 3.08Å; Q299-L302 PolarHBondContact O-N 2.57Å; L302-F304 VanDerWaalsContact C-N 3.34Å; L302-F304 PolarHBondContact O-N 3.07Å; L302-F305 CarbonylContact O-C 3.6Å; L302-F305 PolarHBondContact O-N 3.02Å; L302-F305 VanDerWaalsContact O-N 3.11Å; L302-G306 PolarHBondContact O-N 3.4Å; L302-L307 CarbonylContact C-O 3.55Å; L302-L307 HydrophobicContact CB-CB 4.4Å; L302-L307 HydrophobicContact CG-CB 4.46Å; L302-L307 PolarHBondContact O-N 3.32Å; L302-K309 HydrophobicContact CD2-CG 4.05Å
303	E	86.2	Confident	90.2	Very high	96 Å²	96	67.7 Å²	67.7	45%	0.449	33%	0.33	S	S	.	.	H	α-helix	trans	-58.7	-44.4	177.5	-71.1	166.9	-171.5	0	0	111.6	Q299 I301 F305 G306 M356	Q299-E303 WeakPolarHBondContact CG-OE1 3.37Å; Q299-E303 PolarHBondContact NE2-OE1 3.18Å; Q299-E303 WeakPolarHBondContact O-CG 3.44Å; Q299-E303 PolarHBondContact O-N 2.79Å; I301-E303 VanDerWaalsContact C-N 3.32Å; I301-E303 PolarHBondContact O-N 2.86Å; E303-F305 VanDerWaalsContact C-N 3.26Å; E303-F305 PolarHBondContact O-N 3.36Å; E303-G306 PolarHBondContact O-N 3.07Å; E303-M356 WeakPolarHBondContact O-CE 3.39Å
304	F	84	Confident	90.2	Very high	73 Å²	73	67.8 Å²	67.8	32%	0.32	33%	0.331	S	S	.	.	H	α-helix	trans	-60.9	-31.8	176.5	178.4	-104.3	0	0	0	113.4	R300 I301 L302 I318 K326	R300-F304 WeakPolarHBondContact O-CB 3.24Å; R300-F304 PolarHBondContact O-N 3.08Å; I301-F304 PolarHBondContact O-N 3.17Å; L302-F304 VanDerWaalsContact C-N 3.34Å; L302-F304 PolarHBondContact O-N 3.07Å; F304-I318 HydrophobicContact CE1-CD1 3.71Å; F304-I318 HydrophobicContact CZ-CD1 4.14Å; F304-K326 VanDerWaalsContact CZ-CE 3.42Å; F304-K326 VanDerWaalsContact O-CE 3.3Å; F304-K326 WeakPolarHBondContact O-CE 3.28Å; F304-K326 PolarHBondContact O-NZ 2.61Å
305	F	88	Confident	90.3	Very high	8 Å²	8	65.1 Å²	65.1	4%	0.035	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	4.6	175.4	-80.1	-84.7	0	0	0	114	L258 F260 I301 L302 E303 L307 R316 I318 K326	L258-F305 HydrophobicContact CD1-CZ 4.08Å; L258-F305 HydrophobicContact CD2-CE2 3.73Å; L258-F305 HydrophobicContact CD2-CZ 3.94Å; F260-F305 HydrophobicContact CE2-CB 4.31Å; F260-F305 HydrophobicContact CE2-CD2 4.31Å; F260-F305 HydrophobicContact CE2-CG 4.17Å; F260-F305 HydrophobicContact CZ-CB 3.95Å; F260-F305 AromaticContact CZ-CD2 3.58Å; F260-F305 HydrophobicContact CZ-CD2 3.58Å; F260-F305 HydrophobicContact CZ-CE2 4.19Å; F260-F305 AromaticContact CZ-CG 3.8Å; F260-F305 HydrophobicContact CZ-CG 3.8Å; I301-F305 HydrophobicContact CG2-CD2 3.95Å; I301-F305 HydrophobicContact CG2-CE2 4.07Å; I301-F305 WeakPolarHBondContact O-CD2 3.45Å; I301-F305 PolarHBondContact O-N 3.4Å; L302-F305 CarbonylContact O-C 3.6Å; L302-F305 PolarHBondContact O-N 3.02Å; L302-F305 VanDerWaalsContact O-N 3.11Å; E303-F305 VanDerWaalsContact C-N 3.26Å; E303-F305 PolarHBondContact O-N 3.36Å; F305-L307 VanDerWaalsContact C-N 3.25Å; F305-L307 HydrophobicContact CB-CD1 4.29Å; F305-L307 PolarHBondContact O-N 3.49Å; F305-R316 HydrophobicContact CB-CG 4.3Å; F305-R316 HydrophobicContact CD1-CB 3.5Å; F305-R316 VanDerWaalsContact CD1-CB 3.5Å; F305-R316 HydrophobicContact CD1-CG 3.75Å; F305-R316 HydrophobicContact CE1-CB 3.75Å; F305-R316 HydrophobicContact CE1-CG 4.49Å; F305-R316 HydrophobicContact CG-CB 4.38Å; F305-R316 HydrophobicContact CG-CG 4.33Å; F305-I318 HydrophobicContact CE1-CB 4.03Å; F305-I318 HydrophobicContact CE1-CD1 4.45Å; F305-I318 HydrophobicContact CE1-CG2 4.33Å; F305-I318 HydrophobicContact CZ-CB 4.03Å; F305-I318 HydrophobicContact CZ-CD1 4.12Å; F305-I318 HydrophobicContact CZ-CG2 3.89Å; F305-K326 HydrophobicContact CD1-CD 4.16Å; F305-K326 HydrophobicContact CD1-CG 4.34Å; F305-K326 HydrophobicContact CE1-CD 4.42Å; F305-K326 HydrophobicContact CE1-CG 4.2Å
306	G	84.4	Confident	90.3	Very high	35 Å²	35	61.7 Å²	61.7	36%	0.361	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	30.6	177.5	0	0	0	0	0	112.9	L302 E303 M356	L302-G306 PolarHBondContact O-N 3.4Å; E303-G306 PolarHBondContact O-N 3.07Å; G306-M356 PolarHBondContact N-SD 3.38Å
307	L	88.1	Confident	90.5	Very high	8 Å²	8	57.2 Å²	57.2	4%	0.042	27%	0.273	C	S	.	.			trans	-105.1	139.6	-179.7	-78.2	170.6	0	0	0	110.5	F260 L302 F305 E311 A314 R316	F260-L307 HydrophobicContact CB-CD1 4.35Å; F260-L307 HydrophobicContact CD1-CD1 4.12Å; F260-L307 HydrophobicContact CD2-CD1 3.34Å; F260-L307 HydrophobicContact CE1-CD1 4.29Å; F260-L307 HydrophobicContact CE2-CD1 3.55Å; F260-L307 HydrophobicContact CG-CD1 3.67Å; F260-L307 HydrophobicContact CZ-CD1 4.04Å; L302-L307 CarbonylContact C-O 3.55Å; L302-L307 HydrophobicContact CB-CB 4.4Å; L302-L307 HydrophobicContact CG-CB 4.46Å; L302-L307 PolarHBondContact O-N 3.32Å; F305-L307 VanDerWaalsContact C-N 3.25Å; F305-L307 HydrophobicContact CB-CD1 4.29Å; F305-L307 PolarHBondContact O-N 3.49Å; L307-E311 HydrophobicContact CD2-CB 4.1Å; L307-A314 HydrophobicContact CD1-CB 4.07Å; L307-A314 HydrophobicContact CD2-CB 3.83Å; L307-R316 HydrophobicContact CD1-CG 4.06Å; L307-R316 VanDerWaalsContact CD2-NH2 3.3Å
308	K	88	Confident	90.7	Very high	132 Å²	132	52.7 Å²	52.7	57%	0.574	25%	0.249	S	C	*	.			trans	-98.4	164	163.9	-57.2	177.9	-178.7	170.1	0	110.7	E310 E311 C312	K308-E310 VanDerWaalsContact C-N 3.26Å; K308-E310 WeakPolarHBondContact CB-OE1 3.36Å; K308-E310 WeakPolarHBondContact CB-OE2 3.39Å; K308-E310 WeakPolarHBondContact CD-OE2 3.4Å; K308-E310 PolarHBondContact O-N 3.42Å; K308-E311 HydrophobicContact CB-CG 4.33Å; K308-E311 PolarHBondContact N-OE2 2.88Å; K308-E311 PolarHBondContact O-N 3.42Å; K308-C312 PolarHBondContact O-SG 3Å
309	K	90.6	Very high	90.7	Very high	80 Å²	80	52.9 Å²	52.9	35%	0.348	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-62.8	-37.2	-178.2	-71.7	-167.9	175	-167.5	0	111.7	S293 D294 L302 E311 C312	S293-K309 WeakPolarHBondContact O-CE 3.31Å; D294-K309 PolarHBondContact O-NZ 3.48Å; D294-K309 VanDerWaalsContact O-NZ 3.09Å; L302-K309 HydrophobicContact CD2-CG 4.05Å; K309-E311 PolarHBondContact O-N 3.48Å; K309-C312 WeakPolarHBondContact O-CB 3.3Å; K309-C312 PolarHBondContact O-N 2.9Å; K309-C312 VanDerWaalsContact O-N 3.17Å
310	E	90.1	Very high	90.5	Very high	147 Å²	147	50.7 Å²	50.7	69%	0.687	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-70.1	-20.5	-179.3	-22.7	71	-121.6	0	0	113.4	K308 C312	K308-E310 VanDerWaalsContact C-N 3.26Å; K308-E310 WeakPolarHBondContact CB-OE1 3.36Å; K308-E310 WeakPolarHBondContact CB-OE2 3.39Å; K308-E310 WeakPolarHBondContact CD-OE2 3.4Å; K308-E310 PolarHBondContact O-N 3.42Å; E310-C312 VanDerWaalsContact C-N 3.29Å
311	E	90.5	Very high	90.1	Very high	100 Å²	100	47.1 Å²	47.1	47%	0.467	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-84.4	-7.9	176.1	-62.5	178.3	124.3	0	0	112	L307 K308 K309	L307-E311 HydrophobicContact CD2-CB 4.1Å; K308-E311 HydrophobicContact CB-CG 4.33Å; K308-E311 PolarHBondContact N-OE2 2.88Å; K308-E311 PolarHBondContact O-N 3.42Å; K309-E311 PolarHBondContact O-N 3.48Å
312	C	94.7	Very high	89	Confident	16 Å²	16	54 Å²	54	11%	0.108	27%	0.265	C	S	.	.			trans	-84.9	142.5	175.4	-59.9	0	0	0	0	110.5	P262 S293 K308 K309 E310	P262-C312 HydrophobicContact CG-CB 3.99Å; S293-C312 WeakPolarHBondContact OG-CB 3.23Å; K308-C312 PolarHBondContact O-SG 3Å; K309-C312 WeakPolarHBondContact O-CB 3.3Å; K309-C312 PolarHBondContact O-N 2.9Å; K309-C312 VanDerWaalsContact O-N 3.17Å; E310-C312 VanDerWaalsContact C-N 3.29Å
313	P	96.2	Very high	87.9	Confident	34 Å²	34	59.8 Å²	59.8	22%	0.221	29%	0.292	C	S	.	.	S	Bend	cis	-81.5	141.6	11.1	33	-36.3	0	0	0	114.1	F260 L261 V265 K271 L334	F260-P313 CarbonylContact O-C 3.59Å; F260-P313 WeakPolarHBondContact O-CA 3.28Å; F260-P313 WeakPolarHBondContact O-CB 3.37Å; L261-P313 HydrophobicContact CD1-CB 3.84Å; V265-P313 HydrophobicContact CG2-CG 4.13Å; K271-P313 HydrophobicContact CD-CG 4.3Å; P313-L334 HydrophobicContact CB-CD1 3.73Å; P313-L334 HydrophobicContact CG-CD1 3.82Å
314	A	96.1	Very high	87.6	Confident	3 Å²	3	60.1 Å²	60.1	3%	0.025	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.9	-177.4	0	0	0	0	0	111.8	F260 L307	F260-A314 PolarHBondContact N-O 3.29Å; F260-A314 PolarHBondContact O-N 3.32Å; F260-A314 VanDerWaalsContact O-N 3.08Å; L307-A314 HydrophobicContact CD1-CB 4.07Å; L307-A314 HydrophobicContact CD2-CB 3.83Å
315	V	97.1	Very high	87.7	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.024	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.6	174.1	170.3	0	0	0	0	110.2	I257 L258 L259 F275 P329 L334 F342	I257-V315 HydrophobicContact CD1-CG1 3.67Å; I257-V315 HydrophobicContact CG1-CG1 3.66Å; L258-V315 CarbonylContact O-C 3.49Å; L258-V315 VanDerWaalsContact O-CA 3.32Å; L258-V315 WeakPolarHBondContact O-CA 3.47Å; L259-V315 HydrophobicContact CB-CG2 4.35Å; L259-V315 HydrophobicContact CD1-CG2 3.56Å; F275-V315 HydrophobicContact CE2-CG2 4.49Å; V315-P329 HydrophobicContact CB-CG 4.09Å; V315-P329 HydrophobicContact CG1-CG 4.09Å; V315-P329 WeakPolarHBondContact O-CD 3.26Å; V315-L334 HydrophobicContact CB-CD2 4.33Å; V315-L334 HydrophobicContact CG2-CD2 3.64Å; V315-F342 HydrophobicContact CG1-CD1 4.3Å; V315-F342 HydrophobicContact CG1-CE1 4.06Å
316	R	95.5	Very high	87.8	Confident	19 Å²	19	57 Å²	57	7%	0.072	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.7	170.6	-64.4	-67.6	-179.2	-88.6	2.3	109.6	I257 L258 F260 F305 L307 Y327	I257-R316 CarbonylContact C-O 3.57Å; I257-R316 WeakPolarHBondContact CA-O 3.3Å; L258-R316 PolarHBondContact N-O 2.86Å; L258-R316 PolarHBondContact O-N 3.45Å; F260-R316 HydrophobicContact CE2-CB 4.14Å; F260-R316 HydrophobicContact CE2-CG 4.03Å; F305-R316 HydrophobicContact CB-CG 4.3Å; F305-R316 HydrophobicContact CD1-CB 3.5Å; F305-R316 VanDerWaalsContact CD1-CB 3.5Å; F305-R316 HydrophobicContact CD1-CG 3.75Å; F305-R316 HydrophobicContact CE1-CB 3.75Å; F305-R316 HydrophobicContact CE1-CG 4.49Å; F305-R316 HydrophobicContact CG-CB 4.38Å; F305-R316 HydrophobicContact CG-CG 4.33Å; L307-R316 HydrophobicContact CD1-CG 4.06Å; L307-R316 VanDerWaalsContact CD2-NH2 3.3Å; R316-Y327 WeakPolarHBondContact CA-O 3.32Å
317	L	95.7	Very high	88.2	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142	172.7	-171	155.9	0	0	0	108.4	T255 H256 I257 I286 K326 Y327 F342 F346	T255-L317 HydrophobicContact CG2-CD1 4.43Å; T255-L317 HydrophobicContact CG2-CD2 3.75Å; T255-L317 HydrophobicContact CG2-CG 4.21Å; H256-L317 CarbonylContact O-C 3.57Å; H256-L317 VanDerWaalsContact O-CA 3.28Å; H256-L317 WeakPolarHBondContact O-CA 3.49Å; H256-L317 WeakPolarHBondContact O-CG 3.49Å; I257-L317 HydrophobicContact CB-CD1 4.42Å; I257-L317 HydrophobicContact CB-CG 4.45Å; I286-L317 HydrophobicContact CD1-CD1 4.38Å; L317-K326 CarbonylContact O-C 3.53Å; L317-K326 WeakPolarHBondContact O-CA 3.25Å; L317-Y327 HydrophobicContact CD2-CD2 3.8Å; L317-Y327 HydrophobicContact CD2-CE2 4.43Å; L317-Y327 PolarHBondContact N-O 2.8Å; L317-Y327 PolarHBondContact O-N 3.45Å; L317-F342 HydrophobicContact CB-CE1 3.74Å; L317-F342 HydrophobicContact CB-CZ 3.68Å; L317-F342 HydrophobicContact CD1-CE1 4.06Å; L317-F342 HydrophobicContact CD1-CZ 4.3Å; L317-F346 HydrophobicContact CD1-CB 4.16Å; L317-F346 HydrophobicContact CD1-CD1 3.67Å; L317-F346 HydrophobicContact CD1-CD2 4.31Å; L317-F346 HydrophobicContact CD1-CE1 4.24Å; L317-F346 HydrophobicContact CD1-CG 3.73Å; L317-F346 HydrophobicContact CD2-CD1 3.91Å; L317-F346 HydrophobicContact CD2-CD2 3.6Å; L317-F346 HydrophobicContact CD2-CE1 3.79Å; L317-F346 HydrophobicContact CD2-CE2 3.44Å; L317-F346 VanDerWaalsContact CD2-CE2 3.44Å; L317-F346 HydrophobicContact CD2-CG 3.85Å; L317-F346 HydrophobicContact CD2-CZ 3.55Å; L317-F346 HydrophobicContact CG-CD1 4.48Å; L317-F346 HydrophobicContact CG-CG 4.46Å
318	I	93.2	Very high	88.4	Confident	6 Å²	6	59.7 Å²	59.7	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	141	177.3	-172.4	168.1	0	0	0	110.2	H256 L258 F304 F305 L320 T325 K326	H256-I318 HydrophobicContact CB-CG2 3.8Å; H256-I318 PolarHBondContact N-O 3.39Å; H256-I318 PolarHBondContact O-N 3.14Å; L258-I318 HydrophobicContact CD1-CG2 4Å; F304-I318 HydrophobicContact CE1-CD1 3.71Å; F304-I318 HydrophobicContact CZ-CD1 4.14Å; F305-I318 HydrophobicContact CE1-CB 4.03Å; F305-I318 HydrophobicContact CE1-CD1 4.45Å; F305-I318 HydrophobicContact CE1-CG2 4.33Å; F305-I318 HydrophobicContact CZ-CB 4.03Å; F305-I318 HydrophobicContact CZ-CD1 4.12Å; F305-I318 HydrophobicContact CZ-CG2 3.89Å; I318-L320 HydrophobicContact CD1-CD2 3.86Å; I318-L320 HydrophobicContact CG1-CD2 4.04Å; I318-L320 HydrophobicContact CG2-CD2 4.26Å; I318-T325 WeakPolarHBondContact CA-O 3.41Å; I318-K326 HydrophobicContact CD1-CG 4.19Å; I318-K326 HydrophobicContact CG1-CG 4.32Å
319	T	91.6	Very high	88.6	Confident	19 Å²	19	54.2 Å²	54.2	12%	0.117	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.8	165	51.4	0	0	0	0	108.6	T255 E321 M324 T325 Y327 F346	T255-T319 HydrophobicContact CG2-CG2 4.4Å; T319-E321 VanDerWaalsContact C-N 3.28Å; T319-E321 PolarHBondContact O-N 3.24Å; T319-M324 CarbonylContact O-C 3.45Å; T319-M324 WeakPolarHBondContact O-CA 3.46Å; T319-T325 PolarHBondContact N-O 3.06Å; T319-T325 VanDerWaalsContact N-O 3.11Å; T319-T325 PolarHBondContact O-N 2.95Å; T319-T325 PolarHBondContact OG1-N 3.16Å; T319-Y327 HydrophobicContact CG2-CE2 4.32Å; T319-F346 HydrophobicContact CG2-CE2 4Å; T319-F346 HydrophobicContact CG2-CZ 3.57Å
320	L	84.7	Confident	88.4	Confident	40 Å²	40	56.9 Å²	56.9	21%	0.209	27%	0.274	C	S	.	.			trans	-94.4	26.4	178.6	-58.9	-176.1	0	0	0	112.6	F249 K254 H256 I318	F249-L320 HydrophobicContact CD1-CD1 3.83Å; F249-L320 HydrophobicContact CE1-CD1 4.12Å; K254-L320 HydrophobicContact CB-CB 4.39Å; K254-L320 PolarHBondContact O-N 3.4Å; H256-L320 WeakPolarHBondContact CE1-CD1 3.49Å; H256-L320 WeakPolarHBondContact ND1-CD1 3.39Å; I318-L320 HydrophobicContact CD1-CD2 3.86Å; I318-L320 HydrophobicContact CG1-CD2 4.04Å; I318-L320 HydrophobicContact CG2-CD2 4.26Å
321	E	78.4	Confident	88.1	Confident	130 Å²	130	51.3 Å²	51.3	61%	0.607	25%	0.251	S	S	*	.	S	Bend	trans	-81.4	-173.8	168.9	-63.8	-178.8	176.3	0	0	109.3	K254 T319 E323 M324	K254-E321 HydrophobicContact CB-CG 4.03Å; K254-E321 HydrophobicContact CG-CG 4.5Å; T319-E321 VanDerWaalsContact C-N 3.28Å; T319-E321 PolarHBondContact O-N 3.24Å; E321-E323 PolarHBondContact O-N 3.46Å; E321-M324 PolarHBondContact O-N 3.47Å; E321-M324 VanDerWaalsContact O-N 3.12Å
322	E	65	Low	87.8	Confident	180 Å²	180	52.9 Å²	52.9	84%	0.841	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	-34.8	-171.4	-67.9	174.7	-176.5	0	0	114.1
323	E	67	Low	87.6	Confident	125 Å²	125	57.3 Å²	57.3	58%	0.584	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	5.5	-172.1	-59	-173.1	178	0	0	116.2	E321 T325	E321-E323 PolarHBondContact O-N 3.46Å; E323-T325 VanDerWaalsContact C-N 3.29Å; E323-T325 PolarHBondContact O-N 3.1Å; E323-T325 PolarHBondContact O-OG1 2.9Å
324	M	80.9	Confident	87.5	Confident	104 Å²	104	57 Å²	57	51%	0.512	27%	0.274	S	S	.	.			trans	31.1	52.6	179.1	-72.6	-157.6	-174.9	0	0	116.4	T319 E321	T319-M324 CarbonylContact O-C 3.45Å; T319-M324 WeakPolarHBondContact O-CA 3.46Å; E321-M324 PolarHBondContact O-N 3.47Å; E321-M324 VanDerWaalsContact O-N 3.12Å
325	T	85	Confident	87.5	Confident	10 Å²	10	59.5 Å²	59.5	6%	0.061	29%	0.289	C	S	.	.			trans	-89.1	134.6	-167.5	-63.4	0	0	0	0	112.4	I318 T319 E323 Y327 P353	I318-T325 WeakPolarHBondContact CA-O 3.41Å; T319-T325 PolarHBondContact N-O 3.06Å; T319-T325 VanDerWaalsContact N-O 3.11Å; T319-T325 PolarHBondContact O-N 2.95Å; T319-T325 PolarHBondContact OG1-N 3.16Å; E323-T325 VanDerWaalsContact C-N 3.29Å; E323-T325 PolarHBondContact O-N 3.1Å; E323-T325 PolarHBondContact O-OG1 2.9Å; T325-Y327 HydrophobicContact CG2-CE1 4.18Å; T325-Y327 HydrophobicContact CG2-CE2 3.74Å; T325-Y327 WeakPolarHBondContact CG2-OH 3.47Å; T325-Y327 WeakPolarHBondContact O-CE2 3.3Å; T325-P353 HydrophobicContact CG2-CB 3.67Å; T325-P353 HydrophobicContact CG2-CG 3.82Å
326	K	90.8	Very high	87.5	Confident	6 Å²	6	60.2 Å²	60.2	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	147.5	-178.7	-62.1	169.4	-163.4	150	0	111.7	F304 F305 L317 I318 P353 H354 M356 E431	F304-K326 VanDerWaalsContact CZ-CE 3.42Å; F304-K326 VanDerWaalsContact O-CE 3.3Å; F304-K326 WeakPolarHBondContact O-CE 3.28Å; F304-K326 PolarHBondContact O-NZ 2.61Å; F305-K326 HydrophobicContact CD1-CD 4.16Å; F305-K326 HydrophobicContact CD1-CG 4.34Å; F305-K326 HydrophobicContact CE1-CD 4.42Å; F305-K326 HydrophobicContact CE1-CG 4.2Å; L317-K326 CarbonylContact O-C 3.53Å; L317-K326 WeakPolarHBondContact O-CA 3.25Å; I318-K326 HydrophobicContact CD1-CG 4.19Å; I318-K326 HydrophobicContact CG1-CG 4.32Å; K326-P353 WeakPolarHBondContact O-CA 3.36Å; K326-H354 PolarHBondContact O-N 3.09Å; K326-M356 HydrophobicContact CD-SD 4.23Å; K326-E431 VanDerWaalsContact CD-OE1 3.25Å; K326-E431 WeakPolarHBondContact CD-OE1 3.32Å; K326-E431 WeakPolarHBondContact CE-OE1 3.3Å; K326-E431 IonicContact NZ-OE1 3.44Å; K326-E431 PolarHBondContact NZ-OE1 2.8Å
327	Y	93.4	Very high	87.5	Confident	34 Å²	34	66.4 Å²	66.4	13%	0.133	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.4	179.1	-53.9	-93.2	0	0	0	109.8	R316 L317 T319 T325 F346 I351 P353	R316-Y327 WeakPolarHBondContact CA-O 3.32Å; L317-Y327 HydrophobicContact CD2-CD2 3.8Å; L317-Y327 HydrophobicContact CD2-CE2 4.43Å; L317-Y327 PolarHBondContact N-O 2.8Å; L317-Y327 PolarHBondContact O-N 3.45Å; T319-Y327 HydrophobicContact CG2-CE2 4.32Å; T325-Y327 HydrophobicContact CG2-CE1 4.18Å; T325-Y327 HydrophobicContact CG2-CE2 3.74Å; T325-Y327 WeakPolarHBondContact CG2-OH 3.47Å; T325-Y327 WeakPolarHBondContact O-CE2 3.3Å; Y327-F346 HydrophobicContact CD1-CD2 4.32Å; Y327-F346 AromaticContact CD2-CD2 3.99Å; Y327-F346 HydrophobicContact CD2-CD2 3.99Å; Y327-F346 AromaticContact CD2-CE2 3.82Å; Y327-F346 HydrophobicContact CD2-CE2 3.82Å; Y327-F346 HydrophobicContact CE1-CD2 4.38Å; Y327-F346 HydrophobicContact CE1-CE2 4.4Å; Y327-F346 HydrophobicContact CE2-CD2 4.09Å; Y327-F346 AromaticContact CE2-CE2 3.53Å; Y327-F346 HydrophobicContact CE2-CE2 3.53Å; Y327-F346 HydrophobicContact CG-CD2 4.12Å; Y327-F346 HydrophobicContact CG-CE2 4.38Å; Y327-F346 AromaticContact CZ-CE2 3.84Å; Y327-I351 HydrophobicContact CD1-CB 4.3Å; Y327-I351 HydrophobicContact CD1-CG2 3.86Å; Y327-I351 HydrophobicContact CG-CG2 4.43Å; Y327-P353 HydrophobicContact CE1-CB 4.46Å; Y327-P353 HydrophobicContact CE1-CG 4.05Å
328	K	92.8	Very high	87.6	Confident	64 Å²	64	70.6 Å²	70.6	28%	0.278	34%	0.341	S	S	.	.			trans	-125.6	150.5	171.6	78	176.4	-157.9	77.7	0	110.6	E332 H354	K328-E332 IonicContact NZ-OE1 2.69Å; K328-H354 HydrophobicContact CB-CB 4.36Å; K328-H354 HydrophobicContact CG-CB 4.17Å
329	P	91.7	Very high	87.8	Confident	18 Å²	18	70.6 Å²	70.6	12%	0.117	34%	0.341	C	S	.	.			trans	-58.8	151	170.1	-21.2	31.7	0	0	0	112.2	V315 S331 F342	V315-P329 HydrophobicContact CB-CG 4.09Å; V315-P329 HydrophobicContact CG1-CG 4.09Å; V315-P329 WeakPolarHBondContact O-CD 3.26Å; P329-S331 WeakPolarHBondContact CB-O 3.45Å; P329-F342 HydrophobicContact CB-CD2 4.14Å; P329-F342 HydrophobicContact CB-CE2 4.5Å; P329-F342 HydrophobicContact CB-CG 4.16Å; P329-F342 HydrophobicContact CG-CD1 3.84Å; P329-F342 HydrophobicContact CG-CD2 4.15Å; P329-F342 HydrophobicContact CG-CE1 3.94Å; P329-F342 HydrophobicContact CG-CE2 4.25Å; P329-F342 HydrophobicContact CG-CG 3.93Å; P329-F342 HydrophobicContact CG-CZ 4.15Å
330	E	85.6	Confident	88.1	Confident	135 Å²	135	71.2 Å²	71.2	63%	0.631	35%	0.345	S	S	*	.	S	Bend	trans	-73	-22.2	170.4	-66.4	176.2	176.2	0	0	112	R345	E330-R345 IonicContact OE1-CZ 3.74Å; E330-R345 VanDerWaalsContact OE1-CZ 3.31Å; E330-R345 IonicContact OE1-NH1 3.58Å; E330-R345 PolarHBondContact OE1-NH1 2.96Å; E330-R345 VanDerWaalsContact OE1-NH1 3.15Å; E330-R345 IonicContact OE1-NH2 3.85Å; E330-R345 PolarHBondContact OE1-NH2 3.4Å; E330-R345 IonicContact OE2-CZ 2.69Å; E330-R345 IonicContact OE2-NH1 3.18Å; E330-R345 PolarHBondContact OE2-NH1 2.97Å; E330-R345 IonicContact OE2-NH2 3.29Å
331	S	84.3	Confident	88.7	Confident	30 Å²	30	73.9 Å²	73.9	21%	0.21	36%	0.356	C	S	.	.			trans	-114.1	137.2	-177	171.7	0	0	0	0	110.5	P329 E333 R338	P329-S331 WeakPolarHBondContact CB-O 3.45Å; S331-E333 VanDerWaalsContact C-N 3.29Å; S331-E333 PolarHBondContact OG-N 2.92Å; S331-R338 PolarHBondContact OG-NH1 2.93Å
332	E	84.4	Confident	89.6	Confident	133 Å²	133	68.1 Å²	68.1	62%	0.621	33%	0.329	S	S	*	.			trans	-82.1	-6.4	176.2	-55.8	-59.1	143.3	0	0	112.7	K328 L334	K328-E332 IonicContact NZ-OE1 2.69Å; E332-L334 PolarHBondContact O-N 3.23Å
333	E	90.1	Very high	91.2	Very high	109 Å²	109	59.5 Å²	59.5	51%	0.509	29%	0.289	S	S	.	.			trans	-72	123.2	177.4	-64.5	177.1	-164.5	0	0	112.7	S331 T335 R338	S331-E333 VanDerWaalsContact C-N 3.29Å; S331-E333 PolarHBondContact OG-N 2.92Å; E333-T335 PolarHBondContact O-N 3.26Å; E333-R338 HydrophobicContact CB-CG 4.38Å; E333-R338 IonicContact OE2-CZ 2.88Å; E333-R338 IonicContact OE2-NH1 3.09Å
334	L	93.5	Very high	92.6	Very high	29 Å²	29	57.9 Å²	57.9	15%	0.152	28%	0.281	C	S	.	.			trans	-97	54.4	-179.1	-56.2	-178	0	0	0	112.9	L259 N274 P313 V315 E332	L259-L334 HydrophobicContact CD1-CD1 4.06Å; N274-L334 PolarHBondContact ND2-O 3.45Å; P313-L334 HydrophobicContact CB-CD1 3.73Å; P313-L334 HydrophobicContact CG-CD1 3.82Å; V315-L334 HydrophobicContact CB-CD2 4.33Å; V315-L334 HydrophobicContact CG2-CD2 3.64Å; E332-L334 PolarHBondContact O-N 3.23Å
335	T	96.3	Very high	93.4	Very high	54 Å²	54	56 Å²	56	33%	0.331	27%	0.269	S	S	.	.			trans	-94.5	155.2	173.4	64.6	0	0	0	0	111.1	E333 E337 R338 I339	E333-T335 PolarHBondContact O-N 3.26Å; T335-E337 PolarHBondContact O-N 3.09Å; T335-R338 PolarHBondContact O-N 3.27Å; T335-R338 VanDerWaalsContact O-N 3.17Å; T335-R338 WeakPolarHBondContact OG1-CG 3.2Å; T335-R338 PolarHBondContact OG1-N 3.4Å; T335-I339 WeakPolarHBondContact O-CD1 3.49Å; T335-I339 WeakPolarHBondContact O-CG1 3.36Å; T335-I339 PolarHBondContact O-N 2.96Å
336	A	97.2	Very high	93.9	Very high	20 Å²	20	56.7 Å²	56.7	17%	0.165	27%	0.271	C	S	.	.	H	α-helix	trans	-55.9	-38.9	178.1	0	0	0	0	0	112.2	N274 T277 T340	N274-A336 HydrophobicContact CB-CB 4.43Å; N274-A336 WeakPolarHBondContact O-CB 3.47Å; T277-A336 HydrophobicContact CG2-CB 3.93Å; A336-T340 VanDerWaalsContact O-CB 3.26Å; A336-T340 WeakPolarHBondContact O-CB 3.38Å; A336-T340 PolarHBondContact O-N 3.17Å; A336-T340 PolarHBondContact O-OG1 3.28Å
337	E	97	Very high	94.1	Very high	148 Å²	148	60.4 Å²	60.4	69%	0.692	29%	0.29	S	S	*	.	H	α-helix	trans	-62.5	-48.2	177	-174.2	-178.5	169.2	0	0	111.9	T335 T340 E341	T335-E337 PolarHBondContact O-N 3.09Å; E337-T340 PolarHBondContact O-N 3.41Å; E337-E341 WeakPolarHBondContact O-CB 3.18Å; E337-E341 PolarHBondContact O-N 2.94Å
338	R	96.8	Very high	94.2	Very high	88 Å²	88	63.9 Å²	63.9	33%	0.332	31%	0.308	S	S	.	.	H	α-helix	trans	-70.2	-36.3	-178.4	-68.5	-63.2	170.1	95.9	2.5	113	S331 E333 T335 E341 F342	S331-R338 PolarHBondContact OG-NH1 2.93Å; E333-R338 HydrophobicContact CB-CG 4.38Å; E333-R338 IonicContact OE2-CZ 2.88Å; E333-R338 IonicContact OE2-NH1 3.09Å; T335-R338 PolarHBondContact O-N 3.27Å; T335-R338 VanDerWaalsContact O-N 3.17Å; T335-R338 WeakPolarHBondContact OG1-CG 3.2Å; T335-R338 PolarHBondContact OG1-N 3.4Å; R338-E341 WeakPolarHBondContact CD-OE2 3.42Å; R338-E341 IonicContact NE-OE2 3.01Å; R338-F342 VanDerWaalsContact O-CB 3.31Å; R338-F342 WeakPolarHBondContact O-CB 3.42Å; R338-F342 PolarHBondContact O-N 3.47Å
339	I	97.7	Very high	94.2	Very high	7 Å²	7	64.1 Å²	64.1	4%	0.036	33%	0.328	C	S	.	.	H	α-helix	trans	-65.7	-43.2	173.8	-62.8	158.4	0	0	0	109.8	I257 F275 A278 F288 T335 F342 C343	I257-I339 HydrophobicContact CD1-CG2 4.08Å; F275-I339 HydrophobicContact CB-CD1 4.48Å; F275-I339 HydrophobicContact CD2-CD1 4.06Å; F275-I339 HydrophobicContact CD2-CG2 4.17Å; F275-I339 HydrophobicContact CE2-CG2 4.39Å; A278-I339 HydrophobicContact CB-CB 3.81Å; A278-I339 HydrophobicContact CB-CG2 3.56Å; F288-I339 HydrophobicContact CE1-CG2 3.97Å; T335-I339 WeakPolarHBondContact O-CD1 3.49Å; T335-I339 WeakPolarHBondContact O-CG1 3.36Å; T335-I339 PolarHBondContact O-N 2.96Å; I339-F342 PolarHBondContact O-N 3.42Å; I339-C343 PolarHBondContact O-N 3.27Å; I339-C343 PolarHBondContact O-SG 3.47Å; I339-C343 VanDerWaalsContact O-SG 3.41Å
340	T	97.8	Very high	94.4	Very high	32 Å²	32	69 Å²	69	20%	0.196	35%	0.348	C	S	.	.	H	α-helix	trans	-62.2	-48.1	176.3	-58.7	0	0	0	0	111.3	F282 A336 E337 F342 C343 H344	F282-T340 HydrophobicContact CE2-CG2 4.18Å; F282-T340 HydrophobicContact CZ-CG2 3.89Å; A336-T340 VanDerWaalsContact O-CB 3.26Å; A336-T340 WeakPolarHBondContact O-CB 3.38Å; A336-T340 PolarHBondContact O-N 3.17Å; A336-T340 PolarHBondContact O-OG1 3.28Å; E337-T340 PolarHBondContact O-N 3.41Å; T340-F342 VanDerWaalsContact C-N 3.33Å; T340-F342 PolarHBondContact O-N 2.89Å; T340-C343 PolarHBondContact O-N 3.3Å; T340-H344 PolarHBondContact O-CD2 3.48Å; T340-H344 VanDerWaalsContact O-CD2 3.3Å; T340-H344 PolarHBondContact O-N 2.92Å
341	E	97.1	Very high	94.7	Very high	96 Å²	96	63.3 Å²	63.3	45%	0.449	32%	0.322	S	S	.	.	H	α-helix	trans	-57.5	-45.8	176.5	-179.9	-177.8	-150.1	0	0	111.6	E337 R338 C343 H344 R345	E337-E341 WeakPolarHBondContact O-CB 3.18Å; E337-E341 PolarHBondContact O-N 2.94Å; R338-E341 WeakPolarHBondContact CD-OE2 3.42Å; R338-E341 IonicContact NE-OE2 3.01Å; E341-C343 PolarHBondContact O-N 3.48Å; E341-H344 PolarHBondContact O-N 3.19Å; E341-R345 HydrophobicContact CG-CG 4.47Å; E341-R345 WeakPolarHBondContact O-CB 3.46Å; E341-R345 WeakPolarHBondContact O-CG 3.25Å; E341-R345 PolarHBondContact O-N 3.43Å
342	F	97.6	Very high	94.9	Very high	8 Å²	8	70.6 Å²	70.6	4%	0.035	35%	0.35	C	S	.	.	H	α-helix	trans	-57.2	-49.4	177.1	170	-123	0	0	0	111.7	I257 V315 L317 P329 R338 I339 T340 H344 R345 F346 I351	I257-F342 HydrophobicContact CD1-CD1 3.95Å; I257-F342 HydrophobicContact CD1-CE1 3.98Å; I257-F342 HydrophobicContact CG1-CE1 4.5Å; V315-F342 HydrophobicContact CG1-CD1 4.3Å; V315-F342 HydrophobicContact CG1-CE1 4.06Å; L317-F342 HydrophobicContact CB-CE1 3.74Å; L317-F342 HydrophobicContact CB-CZ 3.68Å; L317-F342 HydrophobicContact CD1-CE1 4.06Å; L317-F342 HydrophobicContact CD1-CZ 4.3Å; P329-F342 HydrophobicContact CB-CD2 4.14Å; P329-F342 HydrophobicContact CB-CE2 4.5Å; P329-F342 HydrophobicContact CB-CG 4.16Å; P329-F342 HydrophobicContact CG-CD1 3.84Å; P329-F342 HydrophobicContact CG-CD2 4.15Å; P329-F342 HydrophobicContact CG-CE1 3.94Å; P329-F342 HydrophobicContact CG-CE2 4.25Å; P329-F342 HydrophobicContact CG-CG 3.93Å; P329-F342 HydrophobicContact CG-CZ 4.15Å; R338-F342 VanDerWaalsContact O-CB 3.31Å; R338-F342 WeakPolarHBondContact O-CB 3.42Å; R338-F342 PolarHBondContact O-N 3.47Å; I339-F342 PolarHBondContact O-N 3.42Å; T340-F342 VanDerWaalsContact C-N 3.33Å; T340-F342 PolarHBondContact O-N 2.89Å; F342-H344 PolarHBondContact O-N 3.04Å; F342-R345 PolarHBondContact O-N 3.29Å; F342-F346 WeakPolarHBondContact O-CB 3.15Å; F342-F346 PolarHBondContact O-N 2.89Å; F342-I351 HydrophobicContact CD2-CD1 4.25Å; F342-I351 HydrophobicContact CD2-CG1 4.22Å; F342-I351 HydrophobicContact CE2-CG1 4.26Å; F342-I351 HydrophobicContact CE2-CG2 4.12Å
343	C	97.7	Very high	95	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60.9	-43.8	176.9	-72.4	0	0	0	0	112.5	I257 F282 I286 I339 T340 E341 F346 L347	I257-C343 VanDerWaalsContact CD1-SG 3.56Å; F282-C343 HydrophobicContact CD1-CB 4.03Å; F282-C343 HydrophobicContact CD2-CB 4.18Å; F282-C343 HydrophobicContact CE1-CB 3.44Å; F282-C343 VanDerWaalsContact CE1-CB 3.44Å; F282-C343 HydrophobicContact CE2-CB 3.61Å; F282-C343 HydrophobicContact CG-CB 4.36Å; F282-C343 HydrophobicContact CZ-CB 3.2Å; I286-C343 HydrophobicContact CD1-CB 3.84Å; I339-C343 PolarHBondContact O-N 3.27Å; I339-C343 PolarHBondContact O-SG 3.47Å; I339-C343 VanDerWaalsContact O-SG 3.41Å; T340-C343 PolarHBondContact O-N 3.3Å; E341-C343 PolarHBondContact O-N 3.48Å; C343-F346 PolarHBondContact O-N 3.25Å; C343-L347 VanDerWaalsContact O-CG 3.32Å; C343-L347 WeakPolarHBondContact O-CG 3.41Å; C343-L347 PolarHBondContact O-N 3.4Å
344	H	97.3	Very high	94.7	Very high	90 Å²	90	64.4 Å²	64.4	42%	0.417	33%	0.326	S	S	.	.	H	α-helix	trans	-60.4	-49.1	175.8	-89.8	-101.5	0	0	0	111.7	F282 T340 E341 F342 F346 L347 E348	F282-H344 AromaticContact CE1-CD2 3.61Å; F282-H344 AromaticContact CE1-NE2 3.88Å; F282-H344 AromaticContact CZ-CD2 3.52Å; F282-H344 AromaticContact CZ-NE2 3.94Å; T340-H344 PolarHBondContact O-CD2 3.48Å; T340-H344 VanDerWaalsContact O-CD2 3.3Å; T340-H344 PolarHBondContact O-N 2.92Å; E341-H344 PolarHBondContact O-N 3.19Å; F342-H344 PolarHBondContact O-N 3.04Å; H344-F346 VanDerWaalsContact C-N 3.29Å; H344-F346 PolarHBondContact O-N 3.42Å; H344-L347 PolarHBondContact O-N 2.85Å; H344-E348 WeakPolarHBondContact O-CB 3.39Å; H344-E348 VanDerWaalsContact O-CG 3.28Å; H344-E348 WeakPolarHBondContact O-CG 3.38Å; H344-E348 PolarHBondContact O-N 3.2Å
345	R	97	Very high	94.1	Very high	66 Å²	66	66 Å²	66	25%	0.249	33%	0.334	C	S	.	.	H	α-helix	trans	-63.9	-35.3	179.2	-74.7	-167.1	62.5	-167.3	-14.2	112.4	E330 E341 F342 E348 G349 K350 I351	E330-R345 IonicContact OE1-CZ 3.74Å; E330-R345 VanDerWaalsContact OE1-CZ 3.31Å; E330-R345 IonicContact OE1-NH1 3.58Å; E330-R345 PolarHBondContact OE1-NH1 2.96Å; E330-R345 VanDerWaalsContact OE1-NH1 3.15Å; E330-R345 IonicContact OE1-NH2 3.85Å; E330-R345 PolarHBondContact OE1-NH2 3.4Å; E330-R345 IonicContact OE2-CZ 2.69Å; E330-R345 IonicContact OE2-NH1 3.18Å; E330-R345 PolarHBondContact OE2-NH1 2.97Å; E330-R345 IonicContact OE2-NH2 3.29Å; E341-R345 HydrophobicContact CG-CG 4.47Å; E341-R345 WeakPolarHBondContact O-CB 3.46Å; E341-R345 WeakPolarHBondContact O-CG 3.25Å; E341-R345 PolarHBondContact O-N 3.43Å; F342-R345 PolarHBondContact O-N 3.29Å; R345-E348 PolarHBondContact O-N 3.07Å; R345-G349 PolarHBondContact O-N 3.32Å; R345-K350 HydrophobicContact CB-CB 4.3Å; R345-K350 PolarHBondContact NH2-O 3.46Å; R345-K350 VanDerWaalsContact NH2-O 3.16Å; R345-K350 WeakPolarHBondContact O-CA 3.28Å; R345-K350 WeakPolarHBondContact O-CB 3.19Å; R345-K350 PolarHBondContact O-N 3.25Å; R345-I351 HydrophobicContact CB-CD1 3.68Å; R345-I351 HydrophobicContact CB-CG1 3.83Å
346	F	96.1	Very high	93.4	Very high	24 Å²	24	64 Å²	64	11%	0.105	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-51.4	172.3	163.3	-97.4	0	0	0	110.8	T255 I286 L317 T319 Y327 F342 C343 H344 E348 G349 I351	T255-F346 HydrophobicContact CG2-CD1 4.34Å; T255-F346 HydrophobicContact CG2-CE1 3.44Å; T255-F346 VanDerWaalsContact CG2-CE1 3.44Å; T255-F346 HydrophobicContact CG2-CZ 3.78Å; I286-F346 HydrophobicContact CD1-CD1 4.31Å; L317-F346 HydrophobicContact CD1-CB 4.16Å; L317-F346 HydrophobicContact CD1-CD1 3.67Å; L317-F346 HydrophobicContact CD1-CD2 4.31Å; L317-F346 HydrophobicContact CD1-CE1 4.24Å; L317-F346 HydrophobicContact CD1-CG 3.73Å; L317-F346 HydrophobicContact CD2-CD1 3.91Å; L317-F346 HydrophobicContact CD2-CD2 3.6Å; L317-F346 HydrophobicContact CD2-CE1 3.79Å; L317-F346 HydrophobicContact CD2-CE2 3.44Å; L317-F346 VanDerWaalsContact CD2-CE2 3.44Å; L317-F346 HydrophobicContact CD2-CG 3.85Å; L317-F346 HydrophobicContact CD2-CZ 3.55Å; L317-F346 HydrophobicContact CG-CD1 4.48Å; L317-F346 HydrophobicContact CG-CG 4.46Å; T319-F346 HydrophobicContact CG2-CE2 4Å; T319-F346 HydrophobicContact CG2-CZ 3.57Å; Y327-F346 HydrophobicContact CD1-CD2 4.32Å; Y327-F346 AromaticContact CD2-CD2 3.99Å; Y327-F346 HydrophobicContact CD2-CD2 3.99Å; Y327-F346 AromaticContact CD2-CE2 3.82Å; Y327-F346 HydrophobicContact CD2-CE2 3.82Å; Y327-F346 HydrophobicContact CE1-CD2 4.38Å; Y327-F346 HydrophobicContact CE1-CE2 4.4Å; Y327-F346 HydrophobicContact CE2-CD2 4.09Å; Y327-F346 AromaticContact CE2-CE2 3.53Å; Y327-F346 HydrophobicContact CE2-CE2 3.53Å; Y327-F346 HydrophobicContact CG-CD2 4.12Å; Y327-F346 HydrophobicContact CG-CE2 4.38Å; Y327-F346 AromaticContact CZ-CE2 3.84Å; F342-F346 WeakPolarHBondContact O-CB 3.15Å; F342-F346 PolarHBondContact O-N 2.89Å; C343-F346 PolarHBondContact O-N 3.25Å; H344-F346 VanDerWaalsContact C-N 3.29Å; H344-F346 PolarHBondContact O-N 3.42Å; F346-E348 PolarHBondContact O-N 3.46Å; F346-G349 PolarHBondContact O-N 2.82Å; F346-I351 HydrophobicContact CB-CG1 4.23Å
347	L	95.1	Very high	92.9	Very high	84 Å²	84	65.1 Å²	65.1	44%	0.44	33%	0.328	S	S	.	.	H	α-helix	trans	-62.8	-25	179.2	-69.6	172.2	0	0	0	113.2	F282 I286 C343 H344 G349	F282-L347 HydrophobicContact CD1-CD1 3.93Å; F282-L347 HydrophobicContact CE1-CD1 4.1Å; I286-L347 HydrophobicContact CD1-CD1 4.09Å; I286-L347 HydrophobicContact CD1-CD2 4.26Å; I286-L347 HydrophobicContact CD1-CG 4.11Å; I286-L347 HydrophobicContact CG1-CD2 4.4Å; C343-L347 VanDerWaalsContact O-CG 3.32Å; C343-L347 WeakPolarHBondContact O-CG 3.41Å; C343-L347 PolarHBondContact O-N 3.4Å; H344-L347 PolarHBondContact O-N 2.85Å; L347-G349 VanDerWaalsContact C-N 3.31Å
348	E	96	Very high	92.4	Very high	106 Å²	106	62 Å²	62	50%	0.495	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-0.3	173.1	-69.5	173.2	-167	0	0	113.7	H344 R345 F346 K350	H344-E348 WeakPolarHBondContact O-CB 3.39Å; H344-E348 VanDerWaalsContact O-CG 3.28Å; H344-E348 WeakPolarHBondContact O-CG 3.38Å; H344-E348 PolarHBondContact O-N 3.2Å; R345-E348 PolarHBondContact O-N 3.07Å; F346-E348 PolarHBondContact O-N 3.46Å; E348-K350 VanDerWaalsContact C-N 3.29Å; E348-K350 HydrophobicContact CB-CD 4.13Å; E348-K350 HydrophobicContact CB-CG 4.07Å; E348-K350 PolarHBondContact O-N 2.92Å; E348-K350 WeakPolarHBondContact OE2-CD 3.44Å; E348-K350 WeakPolarHBondContact OE2-CE 3.39Å; E348-K350 IonicContact OE2-NZ 3.86Å; E348-K350 PolarHBondContact OE2-NZ 3.24Å
349	G	93.1	Very high	92.1	Very high	69 Å²	69	64.7 Å²	64.7	71%	0.711	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	20.7	-177.5	0	0	0	0	0	114.3	R345 F346 L347	R345-G349 PolarHBondContact O-N 3.32Å; F346-G349 PolarHBondContact O-N 2.82Å; L347-G349 VanDerWaalsContact C-N 3.31Å
350	K	94.5	Very high	91.9	Very high	121 Å²	121	67.5 Å²	67.5	53%	0.526	34%	0.344	S	S	.	.			trans	-96.4	-1.2	-175	-67	179.7	179.6	164.1	0	114.5	R345 E348	R345-K350 HydrophobicContact CB-CB 4.3Å; R345-K350 PolarHBondContact NH2-O 3.46Å; R345-K350 VanDerWaalsContact NH2-O 3.16Å; R345-K350 WeakPolarHBondContact O-CA 3.28Å; R345-K350 WeakPolarHBondContact O-CB 3.19Å; R345-K350 PolarHBondContact O-N 3.25Å; E348-K350 VanDerWaalsContact C-N 3.29Å; E348-K350 HydrophobicContact CB-CD 4.13Å; E348-K350 HydrophobicContact CB-CG 4.07Å; E348-K350 PolarHBondContact O-N 2.92Å; E348-K350 WeakPolarHBondContact OE2-CD 3.44Å; E348-K350 WeakPolarHBondContact OE2-CE 3.39Å; E348-K350 IonicContact OE2-NZ 3.86Å; E348-K350 PolarHBondContact OE2-NZ 3.24Å
351	I	92.7	Very high	91.7	Very high	16 Å²	16	68.1 Å²	68.1	8%	0.082	35%	0.349	C	S	.	.	S	Bend	trans	-101.1	127.7	175.4	-57.6	-61.7	0	0	0	108.2	Y327 F342 R345 F346	Y327-I351 HydrophobicContact CD1-CB 4.3Å; Y327-I351 HydrophobicContact CD1-CG2 3.86Å; Y327-I351 HydrophobicContact CG-CG2 4.43Å; F342-I351 HydrophobicContact CD2-CD1 4.25Å; F342-I351 HydrophobicContact CD2-CG1 4.22Å; F342-I351 HydrophobicContact CE2-CG1 4.26Å; F342-I351 HydrophobicContact CE2-CG2 4.12Å; R345-I351 HydrophobicContact CB-CD1 3.68Å; R345-I351 HydrophobicContact CB-CG1 3.83Å; F346-I351 HydrophobicContact CB-CG1 4.23Å
352	K	88.6	Confident	91.6	Very high	183 Å²	183	73.1 Å²	73.1	80%	0.796	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-74.9	143.7	174.3	-65	-173.7	177.5	-171.7	0	110.2	H354	K352-H354 PolarHBondContact O-N 3.41Å
353	P	86.9	Confident	91.4	Very high	63 Å²	63	77 Å²	77	41%	0.409	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-49.8	138	169.9	-29.4	37.3	0	0	0	111.9	T325 K326 Y327	T325-P353 HydrophobicContact CG2-CB 3.67Å; T325-P353 HydrophobicContact CG2-CG 3.82Å; K326-P353 WeakPolarHBondContact O-CA 3.36Å; Y327-P353 HydrophobicContact CE1-CB 4.46Å; Y327-P353 HydrophobicContact CE1-CG 4.05Å
354	H	83.3	Confident	91.4	Very high	48 Å²	48	79.7 Å²	79.7	22%	0.222	40%	0.404	C	S	.	.			trans	-90.5	112.2	170.8	177.4	43.6	0	0	0	108.3	K326 K328 K352	K326-H354 PolarHBondContact O-N 3.09Å; K328-H354 HydrophobicContact CB-CB 4.36Å; K328-H354 HydrophobicContact CG-CB 4.17Å; K352-H354 PolarHBondContact O-N 3.41Å
355	L	80.7	Confident	91.4	Very high	62 Å²	62	79.4 Å²	79.4	33%	0.325	41%	0.405	S	S	.	.			trans	-94.3	126	176.9	-60	175	0	0	0	110	E431 E433	L355-E431 HydrophobicContact CB-CB 4.25Å; L355-E431 HydrophobicContact CD2-CB 3.76Å; L355-E433 HydrophobicContact CD1-CB 3.94Å
356	M	80.5	Confident	91.3	Very high	13 Å²	13	83.6 Å²	83.6	6%	0.064	43%	0.425	C	S	.	.			trans	-80.4	147	174.4	-68.3	171.7	44.9	0	0	111.6	E303 G306 K326 N430 E431	E303-M356 WeakPolarHBondContact O-CE 3.39Å; G306-M356 PolarHBondContact N-SD 3.38Å; K326-M356 HydrophobicContact CD-SD 4.23Å; M356-N430 CarbonylContact O-C 3.53Å; M356-N430 WeakPolarHBondContact O-CA 3.47Å; M356-E431 PolarHBondContact O-N 2.92Å
357	S	86.6	Confident	91.3	Very high	43 Å²	43	87.8 Å²	87.8	30%	0.301	45%	0.445	S	S	.	.			trans	-149.3	135.2	167.1	179.9	0	0	0	0	110.4	G374 K375 N430	S357-G374 VanDerWaalsContact OG-CA 3.31Å; S357-G374 WeakPolarHBondContact OG-CA 3.39Å; S357-G374 PolarHBondContact OG-N 3.23Å; S357-K375 WeakPolarHBondContact OG-CG 3.42Å; S357-K375 PolarHBondContact OG-N 2.83Å; S357-N430 WeakPolarHBondContact CA-OD1 3.15Å; S357-N430 PolarHBondContact OG-OD1 3.28Å
358	Q	87.2	Confident	91.4	Very high	82 Å²	82	85.3 Å²	85.3	38%	0.383	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-63.4	165.9	165.3	-66.9	175.4	-54	0	0	111	V373 A429 N430	Q358-V373 HydrophobicContact CB-CB 4.35Å; Q358-V373 HydrophobicContact CB-CG1 3.8Å; Q358-A429 VanDerWaalsContact CD-CB 3.4Å; Q358-A429 HydrophobicContact CG-CB 3.6Å; Q358-N430 PolarHBondContact N-OD1 2.95Å; Q358-N430 PolarHBondContact OE1-ND2 2.91Å
359	E	90.7	Very high	91.6	Very high	145 Å²	145	80.5 Å²	80.5	68%	0.678	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-66.5	140.6	165.2	-70.9	-59.5	154.6	0	0	110.1	P361 K375	E359-P361 VanDerWaalsContact O-CD 3.28Å; E359-P361 WeakPolarHBondContact O-CD 3.43Å; E359-K375 IonicContact OE1-NZ 3.9Å; E359-K375 PolarHBondContact OE1-NZ 3.19Å; E359-K375 IonicContact OE2-NZ 3.43Å; E359-K375 PolarHBondContact OE2-NZ 2.96Å
360	L	93.2	Very high	91.8	Very high	66 Å²	66	79.7 Å²	79.7	35%	0.346	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-68.7	119.7	177.1	-178.3	65.1	0	0	0	108.9	W364 V373 N376	L360-W364 HydrophobicContact CD1-CB 3.88Å; L360-W364 HydrophobicContact CD1-CD2 4.22Å; L360-W364 HydrophobicContact CD1-CG 3.7Å; L360-W364 HydrophobicContact CG-CG 4.2Å; L360-V373 HydrophobicContact CB-CG2 4.08Å; L360-V373 HydrophobicContact CD1-CG2 3.82Å; L360-N376 HydrophobicContact CD1-CB 3.82Å; L360-N376 WeakPolarHBondContact CD1-ND2 3.45Å; L360-N376 HydrophobicContact CD2-CB 4.21Å
361	P	93.3	Very high	92	Very high	46 Å²	46	76 Å²	76	30%	0.299	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-60.4	140.2	175.7	-21.7	33.2	0	0	0	110.9	E359 D363 W364 V371	E359-P361 VanDerWaalsContact O-CD 3.28Å; E359-P361 WeakPolarHBondContact O-CD 3.43Å; P361-D363 PolarHBondContact O-N 2.93Å; P361-W364 HydrophobicContact CB-CB 4.28Å; P361-W364 WeakPolarHBondContact O-CB 3.32Å; P361-W364 VanDerWaalsContact O-CD1 3.3Å; P361-W364 PolarHBondContact O-N 2.83Å; P361-V371 HydrophobicContact CG-CG1 4.26Å
362	E	94.9	Very high	92.2	Very high	200 Å²	200	75.3 Å²	75.3	94%	0.935	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.3	177.8	-67.9	-171.6	166.7	0	0	112.6
363	D	95	Very high	92.6	Very high	89 Å²	89	66.7 Å²	66.7	48%	0.476	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	21.5	-179.2	68.4	-26.5	0	0	0	113.5	P361 D365 K366	P361-D363 PolarHBondContact O-N 2.93Å; D363-D365 PolarHBondContact O-N 3.32Å; D363-K366 HydrophobicContact CB-CB 3.96Å; D363-K366 HydrophobicContact CB-CD 4.03Å; D363-K366 VanDerWaalsContact O-CB 3.29Å; D363-K366 WeakPolarHBondContact O-CB 3.4Å; D363-K366 PolarHBondContact O-N 2.95Å
364	W	97.2	Very high	92.8	Very high	58 Å²	58	64.7 Å²	64.7	22%	0.22	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-30.4	-176.5	75.7	-87.1	0	0	0	113.8	L360 P361 K370 V371 L372 V380	L360-W364 HydrophobicContact CD1-CB 3.88Å; L360-W364 HydrophobicContact CD1-CD2 4.22Å; L360-W364 HydrophobicContact CD1-CG 3.7Å; L360-W364 HydrophobicContact CG-CG 4.2Å; P361-W364 HydrophobicContact CB-CB 4.28Å; P361-W364 WeakPolarHBondContact O-CB 3.32Å; P361-W364 VanDerWaalsContact O-CD1 3.3Å; P361-W364 PolarHBondContact O-N 2.83Å; W364-K370 HydrophobicContact CE3-CB 4.25Å; W364-K370 HydrophobicContact CZ3-CB 4.13Å; W364-K370 WeakPolarHBondContact O-CA 3.14Å; W364-V371 HydrophobicContact CB-CB 4.33Å; W364-V371 PolarHBondContact O-N 2.94Å; W364-L372 HydrophobicContact CE3-CD2 4.4Å; W364-L372 HydrophobicContact CZ3-CD2 4.2Å; W364-V380 HydrophobicContact CH2-CG2 3.53Å; W364-V380 HydrophobicContact CZ3-CG1 4.47Å; W364-V380 HydrophobicContact CZ3-CG2 3.69Å
365	D	96.1	Very high	93.2	Very high	83 Å²	83	67.7 Å²	67.7	44%	0.444	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	3.2	-178.9	70.6	-13.3	0	0	0	114.4	D363 K370	D363-D365 PolarHBondContact O-N 3.32Å; D365-K370 HydrophobicContact CB-CD 4.03Å; D365-K370 PolarHBondContact O-NZ 3.29Å
366	K	95.5	Very high	93.9	Very high	154 Å²	154	65.1 Å²	65.1	67%	0.67	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-35.6	-173.8	-174.1	177.3	179.3	178.5	0	113.1	D363	D363-K366 HydrophobicContact CB-CB 3.96Å; D363-K366 HydrophobicContact CB-CD 4.03Å; D363-K366 VanDerWaalsContact O-CB 3.29Å; D363-K366 WeakPolarHBondContact O-CB 3.4Å; D363-K366 PolarHBondContact O-N 2.95Å
367	Q	96.6	Very high	94.7	Very high	113 Å²	113	64.6 Å²	64.6	53%	0.528	32%	0.323	S	S	.	.	S	Bend	trans	-86.1	161.8	-179.4	-60.6	-57.6	-19.2	0	0	111.5	V369 K370	Q367-V369 VanDerWaalsContact C-N 3.29Å; Q367-V369 PolarHBondContact O-N 2.99Å; Q367-K370 PolarHBondContact O-NZ 2.78Å
368	P	97.8	Very high	95	Very high	31 Å²	31	66 Å²	66	20%	0.201	33%	0.325	C	S	.	.	S	Bend	trans	-56.4	-43.6	175.5	-23.9	32	0	0	0	112.6	G411 E412 K415	P368-G411 VanDerWaalsContact CB-C 3.41Å; P368-G411 WeakPolarHBondContact CB-O 2.84Å; P368-E412 WeakPolarHBondContact CG-OE2 3.41Å; P368-K415 HydrophobicContact CB-CB 4.16Å
369	V	98.4	Very high	95.4	Very high	6 Å²	6	68.2 Å²	68.2	4%	0.036	34%	0.339	C	S	.	.	S	Bend	trans	-85.2	118.4	169.9	-177.6	0	0	0	0	108.9	Q367 I422 K424	Q367-V369 VanDerWaalsContact C-N 3.29Å; Q367-V369 PolarHBondContact O-N 2.99Å; V369-I422 WeakPolarHBondContact CA-O 3.19Å; V369-I422 HydrophobicContact CG1-CG2 4.46Å; V369-I422 HydrophobicContact CG2-CG2 4.15Å; V369-K424 HydrophobicContact CG1-CB 4.19Å; V369-K424 HydrophobicContact CG1-CD 3.97Å; V369-K424 HydrophobicContact CG1-CG 3.88Å
370	K	98.3	Very high	95.6	Very high	52 Å²	52	62.3 Å²	62.3	23%	0.226	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	140.7	178.7	-49.4	-59	167.9	-162.5	0	110.6	W364 D365 Q367 V421 I422 A423 K424	W364-K370 HydrophobicContact CE3-CB 4.25Å; W364-K370 HydrophobicContact CZ3-CB 4.13Å; W364-K370 WeakPolarHBondContact O-CA 3.14Å; D365-K370 HydrophobicContact CB-CD 4.03Å; D365-K370 PolarHBondContact O-NZ 3.29Å; Q367-K370 PolarHBondContact O-NZ 2.78Å; K370-V421 HydrophobicContact CB-CG1 4.42Å; K370-V421 HydrophobicContact CG-CG1 3.67Å; K370-I422 PolarHBondContact N-O 3.48Å; K370-A423 HydrophobicContact CB-CB 4.14Å; K370-A423 CarbonylContact O-C 3.53Å; K370-A423 WeakPolarHBondContact O-CA 3.48Å; K370-K424 PolarHBondContact O-N 2.92Å
371	V	98.1	Very high	95.8	Very high	44 Å²	44	59.3 Å²	59.3	27%	0.267	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.7	176	-178.3	0	0	0	0	108.9	P361 W364	P361-V371 HydrophobicContact CG-CG1 4.26Å; W364-V371 HydrophobicContact CB-CB 4.33Å; W364-V371 PolarHBondContact O-N 2.94Å
372	L	98	Very high	96	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	150	174.8	-51.7	-175.7	0	0	0	110.1	W364 N376 F377 V380 V390 A423 K424 M425	W364-L372 HydrophobicContact CE3-CD2 4.4Å; W364-L372 HydrophobicContact CZ3-CD2 4.2Å; L372-N376 WeakPolarHBondContact CA-OD1 3.26Å; L372-F377 HydrophobicContact CD1-CD2 3.86Å; L372-F377 HydrophobicContact CD1-CE2 4.36Å; L372-V380 HydrophobicContact CD2-CB 3.81Å; L372-V380 HydrophobicContact CD2-CG1 3.79Å; L372-V380 HydrophobicContact CD2-CG2 3.96Å; L372-V390 HydrophobicContact CD1-CG1 4.17Å; L372-V390 HydrophobicContact CD1-CG2 4.04Å; L372-A423 HydrophobicContact CD1-CB 3.73Å; L372-A423 HydrophobicContact CD2-CB 4.33Å; L372-A423 HydrophobicContact CG-CB 3.81Å; L372-K424 PolarHBondContact N-O 3.05Å; L372-M425 HydrophobicContact CB-CB 4.16Å; L372-M425 HydrophobicContact CB-CG 4.4Å; L372-M425 HydrophobicContact CB-SD 4.3Å; L372-M425 WeakPolarHBondContact O-CG 3.46Å
373	V	95.6	Very high	96	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	26%	0.26	C	S	.	.			trans	-133.2	166.6	168.4	-62.8	0	0	0	0	107.4	Q358 L360 K375 N376 F377 N430	Q358-V373 HydrophobicContact CB-CB 4.35Å; Q358-V373 HydrophobicContact CB-CG1 3.8Å; L360-V373 HydrophobicContact CB-CG2 4.08Å; L360-V373 HydrophobicContact CD1-CG2 3.82Å; V373-K375 HydrophobicContact CG2-CB 4.12Å; V373-K375 PolarHBondContact O-N 3.47Å; V373-N376 WeakPolarHBondContact CG2-OD1 3.39Å; V373-N376 PolarHBondContact N-OD1 3.36Å; V373-N376 PolarHBondContact O-N 3.39Å; V373-N376 VanDerWaalsContact O-N 3.13Å; V373-N376 PolarHBondContact O-OD1 3.31Å; V373-F377 WeakPolarHBondContact O-CB 3.42Å; V373-F377 PolarHBondContact O-N 3.27Å; V373-N430 VanDerWaalsContact CA-OD1 3.3Å; V373-N430 WeakPolarHBondContact CA-OD1 3.43Å; V373-N430 WeakPolarHBondContact CB-OD1 3.32Å
374	G	92	Very high	96	Very high	22 Å²	22	54 Å²	54	23%	0.227	27%	0.267	C	S	.	.	H	α-helix	trans	-54.4	-30	-179.2	0	0	0	0	0	114.2	S357 N430	S357-G374 VanDerWaalsContact OG-CA 3.31Å; S357-G374 WeakPolarHBondContact OG-CA 3.39Å; S357-G374 PolarHBondContact OG-N 3.23Å; G374-N430 PolarHBondContact N-OD1 2.79Å; G374-N430 VanDerWaalsContact N-OD1 3.12Å
375	K	91.2	Very high	96	Very high	111 Å²	111	59 Å²	59	48%	0.483	29%	0.291	S	S	.	.	H	α-helix	trans	-69.4	-31.9	179	-70.9	175.7	-165.2	-169	0	115.2	S357 E359 V373	S357-K375 WeakPolarHBondContact OG-CG 3.42Å; S357-K375 PolarHBondContact OG-N 2.83Å; E359-K375 IonicContact OE1-NZ 3.9Å; E359-K375 PolarHBondContact OE1-NZ 3.19Å; E359-K375 IonicContact OE2-NZ 3.43Å; E359-K375 PolarHBondContact OE2-NZ 2.96Å; V373-K375 HydrophobicContact CG2-CB 4.12Å; V373-K375 PolarHBondContact O-N 3.47Å
376	N	96.1	Very high	96	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.043	28%	0.283	C	S	.	.	H	α-helix	trans	-113.8	-5.9	-179.8	76.6	-38.7	0	0	0	113.3	L360 L372 V373 E378 D379 V380	L360-N376 HydrophobicContact CD1-CB 3.82Å; L360-N376 WeakPolarHBondContact CD1-ND2 3.45Å; L360-N376 HydrophobicContact CD2-CB 4.21Å; L372-N376 WeakPolarHBondContact CA-OD1 3.26Å; V373-N376 WeakPolarHBondContact CG2-OD1 3.39Å; V373-N376 PolarHBondContact N-OD1 3.36Å; V373-N376 PolarHBondContact O-N 3.39Å; V373-N376 VanDerWaalsContact O-N 3.13Å; V373-N376 PolarHBondContact O-OD1 3.31Å; N376-E378 VanDerWaalsContact C-N 3.31Å; N376-E378 PolarHBondContact O-N 3.49Å; N376-D379 PolarHBondContact O-N 3.47Å; N376-V380 WeakPolarHBondContact O-CG2 3.36Å; N376-V380 PolarHBondContact O-N 2.97Å; N376-V380 VanDerWaalsContact O-N 3.12Å
377	F	96.3	Very high	96.1	Very high	1 Å²	1	52.3 Å²	52.3	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-53.5	-50.3	-177.7	176	-93.9	0	0	0	111.6	L372 V373 D379 V380 A381 F382 F392 M425 V432 V435 F446	L372-F377 HydrophobicContact CD1-CD2 3.86Å; L372-F377 HydrophobicContact CD1-CE2 4.36Å; V373-F377 WeakPolarHBondContact O-CB 3.42Å; V373-F377 PolarHBondContact O-N 3.27Å; F377-D379 PolarHBondContact O-N 2.69Å; F377-V380 PolarHBondContact O-N 2.94Å; F377-A381 HydrophobicContact CD1-CB 4.37Å; F377-A381 HydrophobicContact CD2-CB 4.2Å; F377-A381 HydrophobicContact CE1-CB 4.01Å; F377-A381 HydrophobicContact CE2-CB 3.81Å; F377-A381 HydrophobicContact CG-CB 4.45Å; F377-A381 HydrophobicContact CZ-CB 3.71Å; F377-A381 WeakPolarHBondContact O-CB 3.1Å; F377-A381 PolarHBondContact O-N 3.43Å; F377-F382 HydrophobicContact CE1-CE2 4.05Å; F377-F392 AromaticContact CE2-CE1 3.84Å; F377-F392 HydrophobicContact CE2-CE1 3.84Å; F377-F392 AromaticContact CE2-CZ 3.61Å; F377-F392 HydrophobicContact CE2-CZ 3.61Å; F377-F392 HydrophobicContact CZ-CE1 4.33Å; F377-F392 AromaticContact CZ-CZ 3.95Å; F377-F392 HydrophobicContact CZ-CZ 3.95Å; F377-M425 HydrophobicContact CB-SD 4.26Å; F377-M425 HydrophobicContact CD2-CE 4.16Å; F377-M425 HydrophobicContact CD2-SD 3.88Å; F377-M425 HydrophobicContact CG-SD 4.34Å; F377-V432 HydrophobicContact CB-CG1 3.73Å; F377-V432 HydrophobicContact CD1-CB 3.89Å; F377-V432 HydrophobicContact CD1-CG1 3.68Å; F377-V432 HydrophobicContact CD1-CG2 4.06Å; F377-V432 HydrophobicContact CD2-CG1 4.38Å; F377-V432 HydrophobicContact CE1-CB 4.22Å; F377-V432 HydrophobicContact CE1-CG1 4.42Å; F377-V432 HydrophobicContact CE1-CG2 3.95Å; F377-V432 HydrophobicContact CG-CB 4.33Å; F377-V432 HydrophobicContact CG-CG1 3.66Å; F377-V432 HydrophobicContact CG-CG2 4.44Å; F377-V432 HydrophobicContact CZ-CG2 4.26Å; F377-V435 HydrophobicContact CE1-CG2 4.26Å; F377-V435 HydrophobicContact CZ-CG2 3.77Å; F377-F446 HydrophobicContact CE2-CZ 4.37Å; F377-F446 HydrophobicContact CZ-CE1 4.02Å; F377-F446 HydrophobicContact CZ-CE2 4.39Å; F377-F446 AromaticContact CZ-CZ 3.73Å; F377-F446 HydrophobicContact CZ-CZ 3.73Å
378	E	93.6	Very high	96.2	Very high	74 Å²	74	47 Å²	47	35%	0.346	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-44.8	-175.4	-164.9	71.8	178.3	0	0	112.2	N376 V380 F382 R452	N376-E378 VanDerWaalsContact C-N 3.31Å; N376-E378 PolarHBondContact O-N 3.49Å; E378-V380 VanDerWaalsContact C-N 3.3Å; E378-V380 PolarHBondContact O-N 2.91Å; E378-F382 PolarHBondContact O-N 3.4Å; E378-F382 WeakPolarHBondContact OE2-CD2 3.29Å; E378-R452 IonicContact OE1-CZ 2.69Å; E378-R452 IonicContact OE1-NH1 2.67Å; E378-R452 PolarHBondContact OE1-NH1 2.82Å; E378-R452 IonicContact OE1-NH2 3.57Å; E378-R452 PolarHBondContact OE1-NH2 3.38Å; E378-R452 IonicContact OE2-NH2 3.09Å
379	D	94.8	Very high	96.3	Very high	127 Å²	127	45.5 Å²	45.5	68%	0.679	22%	0.224	S	C	*	.	H	α-helix	trans	-66.3	-32.4	-179.1	-65.8	-30.2	0	0	0	112.4	N376 F377	N376-D379 PolarHBondContact O-N 3.47Å; F377-D379 PolarHBondContact O-N 2.69Å
380	V	96.6	Very high	96.3	Very high	22 Å²	22	45.2 Å²	45.2	13%	0.133	22%	0.223	C	C	.	.	H	α-helix	trans	-89.8	-54.3	-177.6	-179.4	0	0	0	0	111.2	W364 L372 N376 F377 E378 F382 D383 V388	W364-V380 HydrophobicContact CH2-CG2 3.53Å; W364-V380 HydrophobicContact CZ3-CG1 4.47Å; W364-V380 HydrophobicContact CZ3-CG2 3.69Å; L372-V380 HydrophobicContact CD2-CB 3.81Å; L372-V380 HydrophobicContact CD2-CG1 3.79Å; L372-V380 HydrophobicContact CD2-CG2 3.96Å; N376-V380 WeakPolarHBondContact O-CG2 3.36Å; N376-V380 PolarHBondContact O-N 2.97Å; N376-V380 VanDerWaalsContact O-N 3.12Å; F377-V380 PolarHBondContact O-N 2.94Å; E378-V380 VanDerWaalsContact C-N 3.3Å; E378-V380 PolarHBondContact O-N 2.91Å; V380-F382 VanDerWaalsContact C-N 3.34Å; V380-F382 PolarHBondContact O-N 2.69Å; V380-D383 PolarHBondContact O-N 3Å; V380-V388 WeakPolarHBondContact O-CG2 3.22Å
381	A	96.8	Very high	96.3	Very high	2 Å²	2	43 Å²	43	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-34.1	-172.6	0	0	0	0	0	112.6	F377 F446	F377-A381 HydrophobicContact CD1-CB 4.37Å; F377-A381 HydrophobicContact CD2-CB 4.2Å; F377-A381 HydrophobicContact CE1-CB 4.01Å; F377-A381 HydrophobicContact CE2-CB 3.81Å; F377-A381 HydrophobicContact CG-CB 4.45Å; F377-A381 HydrophobicContact CZ-CB 3.71Å; F377-A381 WeakPolarHBondContact O-CB 3.1Å; F377-A381 PolarHBondContact O-N 3.43Å; A381-F446 HydrophobicContact CB-CD1 4.27Å; A381-F446 HydrophobicContact CB-CD2 4.23Å; A381-F446 HydrophobicContact CB-CE1 4.5Å; A381-F446 HydrophobicContact CB-CE2 4.49Å; A381-F446 HydrophobicContact CB-CG 4.16Å; A381-F446 WeakPolarHBondContact O-CB 3.17Å
382	F	96.1	Very high	96.2	Very high	28 Å²	28	40.9 Å²	40.9	12%	0.123	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	22.3	178.8	-66	-72.1	0	0	0	113.6	F377 E378 V380 E384 A434 F446 R452 V454	F377-F382 HydrophobicContact CE1-CE2 4.05Å; E378-F382 PolarHBondContact O-N 3.4Å; E378-F382 WeakPolarHBondContact OE2-CD2 3.29Å; V380-F382 VanDerWaalsContact C-N 3.34Å; V380-F382 PolarHBondContact O-N 2.69Å; F382-E384 PolarHBondContact O-N 2.71Å; F382-A434 HydrophobicContact CE2-CB 3.53Å; F382-A434 HydrophobicContact CZ-CB 3.66Å; F382-F446 HydrophobicContact CD1-CD1 4.31Å; F382-F446 AromaticContact CE1-CD1 3.74Å; F382-F446 HydrophobicContact CE1-CD1 3.74Å; F382-F446 HydrophobicContact CE1-CE1 4.24Å; F382-F446 HydrophobicContact CE2-CD1 4.47Å; F382-F446 HydrophobicContact CE2-CE1 4.41Å; F382-F446 AromaticContact CZ-CD1 3.83Å; F382-F446 HydrophobicContact CZ-CD1 3.83Å; F382-F446 AromaticContact CZ-CE1 3.86Å; F382-F446 HydrophobicContact CZ-CE1 3.86Å; F382-R452 HydrophobicContact CD1-CB 4.05Å; F382-R452 HydrophobicContact CD1-CG 4.1Å; F382-R452 HydrophobicContact CE1-CB 3.75Å; F382-R452 HydrophobicContact CE1-CG 4.23Å; F382-V454 HydrophobicContact CE1-CG2 4.22Å; F382-V454 HydrophobicContact CZ-CG2 4.2Å
383	D	96.1	Very high	96	Very high	61 Å²	61	43.5 Å²	43.5	33%	0.326	21%	0.211	S	C	.	.			trans	-63.5	110.6	167.8	-178	-13.8	0	0	0	109.3	V380 K385 K386	V380-D383 PolarHBondContact O-N 3Å; D383-K385 PolarHBondContact O-N 2.89Å; D383-K385 WeakPolarHBondContact OD1-CB 3.3Å; D383-K385 PolarHBondContact OD1-N 3.16Å; D383-K386 HydrophobicContact CB-CB 4.17Å; D383-K386 HydrophobicContact CB-CG 4.09Å; D383-K386 PolarHBondContact O-N 2.65Å; D383-K386 WeakPolarHBondContact OD2-CG 3.36Å
384	E	95.1	Very high	95.6	Very high	135 Å²	135	43.5 Å²	43.5	63%	0.631	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-14.2	-178.1	-65.9	-178	-178.9	0	0	114.3	F382 S449	F382-E384 PolarHBondContact O-N 2.71Å; E384-S449 PolarHBondContact O-N 2.96Å; E384-S449 PolarHBondContact O-OG 3.07Å; E384-S449 VanDerWaalsContact O-OG 3.13Å
385	K	96.3	Very high	95.3	Very high	163 Å²	163	45.2 Å²	45.2	71%	0.709	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-5.6	179.3	-58.5	175.2	-175	171.2	0	113.6	D383	D383-K385 PolarHBondContact O-N 2.89Å; D383-K385 WeakPolarHBondContact OD1-CB 3.3Å; D383-K385 PolarHBondContact OD1-N 3.16Å
386	K	97.3	Very high	94.7	Very high	67 Å²	67	47.8 Å²	47.8	29%	0.291	23%	0.225	S	C	.	.			trans	-124	139.9	-172.6	-58.7	-63.5	-179	171.7	0	111.2	D383 V388 E418 N419 V421 A448	D383-K386 HydrophobicContact CB-CB 4.17Å; D383-K386 HydrophobicContact CB-CG 4.09Å; D383-K386 PolarHBondContact O-N 2.65Å; D383-K386 WeakPolarHBondContact OD2-CG 3.36Å; K386-V388 HydrophobicContact CB-CG2 3.91Å; K386-E418 PolarHBondContact NZ-O 2.98Å; K386-N419 CarbonylContact C-O 3.54Å; K386-N419 WeakPolarHBondContact CA-O 3.11Å; K386-V421 HydrophobicContact CB-CG2 4.23Å; K386-V421 HydrophobicContact CD-CG2 4.19Å; K386-V421 HydrophobicContact CG-CG2 4.3Å; K386-A448 WeakPolarHBondContact O-CA 3.4Å; K386-A448 PolarHBondContact O-N 2.96Å
387	N	97.8	Very high	94.2	Very high	30 Å²	30	48.4 Å²	48.4	16%	0.16	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	104.1	168.1	-69.6	-56.6	0	0	0	106.7	N419 I420 V421 F445 F446 A448	N387-N419 PolarHBondContact N-O 3.14Å; N387-I420 HydrophobicContact CB-CG1 4.05Å; N387-I420 CarbonylContact O-C 3.6Å; N387-I420 WeakPolarHBondContact O-CA 3.26Å; N387-V421 PolarHBondContact O-N 2.83Å; N387-F445 HydrophobicContact CB-CE2 3.77Å; N387-F445 HydrophobicContact CB-CZ 3.71Å; N387-F446 WeakPolarHBondContact CA-O 3.39Å; N387-A448 WeakPolarHBondContact OD1-CB 3.19Å; N387-A448 PolarHBondContact OD1-N 2.97Å
388	V	98.4	Very high	93.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.4	-172.8	-167.4	0	0	0	0	109.5	V380 K386 V390 V421 A423 F445 F446	V380-V388 WeakPolarHBondContact O-CG2 3.22Å; K386-V388 HydrophobicContact CB-CG2 3.91Å; V388-V390 HydrophobicContact CG1-CG2 3.71Å; V388-V421 WeakPolarHBondContact CA-O 3.3Å; V388-V421 HydrophobicContact CG1-CB 4.19Å; V388-V421 HydrophobicContact CG1-CG1 4.25Å; V388-V421 HydrophobicContact CG2-CB 4.23Å; V388-A423 HydrophobicContact CG1-CB 4.41Å; V388-F445 CarbonylContact O-C 3.52Å; V388-F445 WeakPolarHBondContact O-CA 3.36Å; V388-F445 VanDerWaalsContact O-CD2 3.25Å; V388-F445 WeakPolarHBondContact O-CD2 3.3Å; V388-F446 HydrophobicContact CB-CB 4.28Å; V388-F446 HydrophobicContact CB-CD2 4.49Å; V388-F446 PolarHBondContact N-O 2.79Å; V388-F446 WeakPolarHBondContact O-CD2 3.28Å; V388-F446 PolarHBondContact O-N 2.83Å
389	F	98.4	Very high	93.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.9	174.9	-162.3	-162.4	0	0	0	109.3	W407 L410 V421 I422 A423 L443 K444 F445 Y457 F466 F469 L470	F389-W407 AromaticContact CD1-CH2 3.6Å; F389-W407 HydrophobicContact CD1-CH2 3.6Å; F389-W407 HydrophobicContact CD1-CZ2 4.49Å; F389-W407 HydrophobicContact CD1-CZ3 4.15Å; F389-W407 HydrophobicContact CD2-CH2 4.09Å; F389-W407 AromaticContact CE1-CH2 3.73Å; F389-W407 HydrophobicContact CE1-CH2 3.73Å; F389-W407 AromaticContact CE1-CZ3 3.91Å; F389-W407 HydrophobicContact CE1-CZ3 3.91Å; F389-W407 HydrophobicContact CE2-CH2 4.19Å; F389-W407 AromaticContact CG-CH2 3.79Å; F389-W407 HydrophobicContact CG-CH2 3.79Å; F389-W407 HydrophobicContact CG-CZ2 4.43Å; F389-W407 HydrophobicContact CZ-CH2 4.02Å; F389-W407 HydrophobicContact CZ-CZ3 4.28Å; F389-L410 HydrophobicContact CD1-CD2 4.21Å; F389-L410 HydrophobicContact CE1-CD2 4.48Å; F389-V421 PolarHBondContact N-O 3.35Å; F389-I422 HydrophobicContact CB-CD1 4.11Å; F389-A423 PolarHBondContact O-N 3.07Å; F389-L443 HydrophobicContact CE2-CB 4.09Å; F389-L443 HydrophobicContact CZ-CB 4.34Å; F389-K444 WeakPolarHBondContact CD2-O 3.19Å; F389-F445 HydrophobicContact CB-CD2 3.92Å; F389-F445 HydrophobicContact CD2-CB 3.88Å; F389-F445 HydrophobicContact CD2-CD2 4.28Å; F389-F445 HydrophobicContact CE2-CB 4.28Å; F389-F445 HydrophobicContact CG-CD2 4.24Å; F389-Y457 HydrophobicContact CE2-CG 4.28Å; F389-Y457 HydrophobicContact CZ-CD1 4.3Å; F389-Y457 AromaticContact CZ-CD2 3.85Å; F389-Y457 HydrophobicContact CZ-CD2 3.85Å; F389-Y457 AromaticContact CZ-CG 3.68Å; F389-Y457 HydrophobicContact CZ-CG 3.68Å; F389-F466 HydrophobicContact CE1-CB 4.36Å; F389-F466 AromaticContact CE1-CD1 3.81Å; F389-F466 HydrophobicContact CE1-CD1 3.81Å; F389-F466 HydrophobicContact CE1-CG 4.33Å; F389-F466 HydrophobicContact CZ-CD1 4.18Å; F389-F469 HydrophobicContact CD2-CE1 4.39Å; F389-F469 HydrophobicContact CE1-CD1 4.11Å; F389-F469 HydrophobicContact CE1-CE1 4.4Å; F389-F469 HydrophobicContact CE2-CD1 4.47Å; F389-F469 AromaticContact CE2-CE1 3.99Å; F389-F469 HydrophobicContact CE2-CE1 3.99Å; F389-F469 HydrophobicContact CZ-CD1 4.02Å; F389-F469 AromaticContact CZ-CE1 3.99Å; F389-F469 HydrophobicContact CZ-CE1 3.99Å; F389-L470 HydrophobicContact CB-CD2 4.02Å; F389-L470 HydrophobicContact CD1-CD1 4.18Å; F389-L470 HydrophobicContact CD1-CD2 3.97Å; F389-L470 HydrophobicContact CD1-CG 4.11Å; F389-L470 HydrophobicContact CG-CD2 4.25Å
390	V	98.5	Very high	93.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.8	-168.5	-172.1	0	0	0	0	110.5	L372 V388 F392 A423 K444 F446	L372-V390 HydrophobicContact CD1-CG1 4.17Å; L372-V390 HydrophobicContact CD1-CG2 4.04Å; V388-V390 HydrophobicContact CG1-CG2 3.71Å; V390-F392 HydrophobicContact CB-CD2 4.44Å; V390-F392 HydrophobicContact CB-CE2 3.77Å; V390-F392 HydrophobicContact CB-CZ 4.11Å; V390-F392 HydrophobicContact CG1-CD2 4.16Å; V390-F392 HydrophobicContact CG1-CE1 4.3Å; V390-F392 HydrophobicContact CG1-CE2 3.72Å; V390-F392 HydrophobicContact CG1-CZ 3.79Å; V390-A423 WeakPolarHBondContact CA-O 3.27Å; V390-A423 HydrophobicContact CG2-CB 4.16Å; V390-K444 PolarHBondContact N-O 2.87Å; V390-K444 PolarHBondContact O-N 2.86Å; V390-K444 VanDerWaalsContact O-N 3.08Å; V390-F446 HydrophobicContact CB-CE2 4.04Å; V390-F446 HydrophobicContact CG2-CD2 3.9Å; V390-F446 HydrophobicContact CG2-CE2 3.66Å
391	E	98.2	Very high	93.2	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.028	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	120.8	165.7	175.6	-168.3	-150.3	0	0	110.3	L403 W407 A423 K424 M425 P441 L443	E391-L403 HydrophobicContact CG-CD2 4.48Å; E391-W407 HydrophobicContact CB-CD2 4.05Å; E391-W407 HydrophobicContact CB-CG 4.44Å; E391-W407 HydrophobicContact CB-CH2 4.35Å; E391-W407 HydrophobicContact CB-CZ2 3.7Å; E391-A423 PolarHBondContact N-O 3.05Å; E391-K424 HydrophobicContact CB-CB 4.14Å; E391-K424 CarbonylContact O-C 3.59Å; E391-K424 VanDerWaalsContact O-CA 3.22Å; E391-K424 WeakPolarHBondContact O-CA 3.48Å; E391-M425 PolarHBondContact O-N 3.43Å; E391-P441 HydrophobicContact CG-CB 4.38Å; E391-L443 HydrophobicContact CB-CD2 3.7Å; E391-L443 HydrophobicContact CG-CD2 3.77Å
392	F	96.8	Very high	93	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	109.7	170.8	-62.4	-94.7	0	0	0	108.5	F377 V390 M425 S427 V435 V437 P441 T442 K444 F446	F377-F392 AromaticContact CE2-CE1 3.84Å; F377-F392 HydrophobicContact CE2-CE1 3.84Å; F377-F392 AromaticContact CE2-CZ 3.61Å; F377-F392 HydrophobicContact CE2-CZ 3.61Å; F377-F392 HydrophobicContact CZ-CE1 4.33Å; F377-F392 AromaticContact CZ-CZ 3.95Å; F377-F392 HydrophobicContact CZ-CZ 3.95Å; V390-F392 HydrophobicContact CB-CD2 4.44Å; V390-F392 HydrophobicContact CB-CE2 3.77Å; V390-F392 HydrophobicContact CB-CZ 4.11Å; V390-F392 HydrophobicContact CG1-CD2 4.16Å; V390-F392 HydrophobicContact CG1-CE1 4.3Å; V390-F392 HydrophobicContact CG1-CE2 3.72Å; V390-F392 HydrophobicContact CG1-CZ 3.79Å; F392-M425 HydrophobicContact CD1-CB 4.43Å; F392-M425 HydrophobicContact CD1-CE 3.72Å; F392-M425 HydrophobicContact CE1-CE 3.48Å; F392-M425 VanDerWaalsContact CE1-CE 3.48Å; F392-S427 VanDerWaalsContact CB-OG 3.3Å; F392-S427 WeakPolarHBondContact CB-OG 3.29Å; F392-S427 VanDerWaalsContact CD1-OG 3.31Å; F392-S427 WeakPolarHBondContact CD1-OG 3.19Å; F392-V435 HydrophobicContact CD1-CG1 4.31Å; F392-V435 HydrophobicContact CE1-CB 4.13Å; F392-V435 HydrophobicContact CE1-CG1 3.8Å; F392-V435 HydrophobicContact CE1-CG2 4.43Å; F392-V435 HydrophobicContact CE2-CG1 4.1Å; F392-V435 HydrophobicContact CZ-CB 4.08Å; F392-V435 HydrophobicContact CZ-CG1 3.69Å; F392-V435 HydrophobicContact CZ-CG2 3.93Å; F392-V437 HydrophobicContact CB-CG1 4.07Å; F392-V437 HydrophobicContact CB-CG2 3.73Å; F392-V437 HydrophobicContact CD1-CG2 3.69Å; F392-V437 HydrophobicContact CE1-CG2 4.46Å; F392-V437 HydrophobicContact CG-CG2 3.74Å; F392-P441 WeakPolarHBondContact O-CA 3.22Å; F392-T442 WeakPolarHBondContact CB-O 3.31Å; F392-T442 WeakPolarHBondContact CD2-O 3.43Å; F392-T442 PolarHBondContact N-O 2.81Å; F392-T442 PolarHBondContact O-N 2.92Å; F392-K444 HydrophobicContact CD2-CG 4.46Å; F392-K444 HydrophobicContact CE2-CB 3.98Å; F392-K444 HydrophobicContact CE2-CG 4.12Å; F392-F446 HydrophobicContact CE2-CE2 4.43Å; F392-F446 HydrophobicContact CE2-CZ 4.44Å; F392-F446 HydrophobicContact CZ-CE2 4.43Å; F392-F446 HydrophobicContact CZ-CZ 4.19Å
393	Y	93.7	Very high	93	Very high	56 Å²	56	56.6 Å²	56.6	22%	0.22	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	167.4	-170.2	76.3	-84.5	0	0	0	113	P395 K424 M425 D426 S427	Y393-P395 HydrophobicContact CE2-CG 4.34Å; Y393-K424 HydrophobicContact CD1-CB 4.17Å; Y393-K424 HydrophobicContact CE1-CB 4.09Å; Y393-K424 HydrophobicContact CE1-CD 4.1Å; Y393-K424 HydrophobicContact CE1-CG 4.05Å; Y393-M425 VanDerWaalsContact CD1-O 3.32Å; Y393-M425 WeakPolarHBondContact CD1-O 3.42Å; Y393-M425 VanDerWaalsContact CE1-C 3.48Å; Y393-M425 PolarHBondContact N-O 3.08Å; Y393-M425 VanDerWaalsContact N-O 3.08Å; Y393-D426 HydrophobicContact CE1-CB 4.13Å; Y393-D426 HydrophobicContact CE2-CB 4.26Å; Y393-S427 PolarHBondContact O-N 3.46Å
394	A	87.2	Confident	93.1	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.008	27%	0.27	C	S	.	.			trans	-121.9	134	168.3	0	0	0	0	0	110.2	W396 C397 T428 F440	A394-W396 PolarHBondContact O-N 3.15Å; A394-W396 VanDerWaalsContact O-N 3.1Å; A394-C397 HydrophobicContact CB-CB 4.11Å; A394-C397 WeakPolarHBondContact O-CB 3.47Å; A394-C397 PolarHBondContact O-N 2.91Å; A394-T428 HydrophobicContact CB-CG2 3.42Å; A394-T428 VanDerWaalsContact CB-CG2 3.42Å; A394-F440 HydrophobicContact CB-CB 4.19Å; A394-F440 HydrophobicContact CB-CD1 4.08Å; A394-F440 HydrophobicContact CB-CD2 3.66Å; A394-F440 HydrophobicContact CB-CE1 4.42Å; A394-F440 HydrophobicContact CB-CE2 4.01Å; A394-F440 HydrophobicContact CB-CG 3.69Å; A394-F440 HydrophobicContact CB-CZ 4.38Å
395	P	85.3	Confident	93.2	Very high	57 Å²	57	52.9 Å²	52.9	37%	0.37	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-28.6	-175.7	-27.6	34.9	0	0	0	115.1	Y393 K401 D426	Y393-P395 HydrophobicContact CE2-CG 4.34Å; P395-K401 VanDerWaalsContact O-CE 3.24Å; P395-K401 WeakPolarHBondContact O-CE 3.48Å; P395-D426 WeakPolarHBondContact CG-OD2 3.3Å
396	W	79.3	Confident	93.3	Very high	166 Å²	166	47.5 Å²	47.5	63%	0.629	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-4.2	-179.1	51.2	85.8	0	0	0	114.3	A394 G398 T428	A394-W396 PolarHBondContact O-N 3.15Å; A394-W396 VanDerWaalsContact O-N 3.1Å; W396-G398 PolarHBondContact O-N 3Å; W396-T428 VanDerWaalsContact CH2-CB 3.42Å; W396-T428 HydrophobicContact CH2-CG2 3.45Å; W396-T428 VanDerWaalsContact CH2-CG2 3.45Å; W396-T428 WeakPolarHBondContact CH2-OG1 3.48Å; W396-T428 HydrophobicContact CZ2-CG2 3.43Å; W396-T428 VanDerWaalsContact CZ2-CG2 3.43Å; W396-T428 HydrophobicContact CZ3-CG2 4.19Å
397	C	85.9	Confident	93.3	Very high	20 Å²	20	44.3 Å²	44.3	14%	0.135	23%	0.23	C	C	.	.			trans	-76.4	123.7	-179.1	174	0	0	0	0	111.4	A394 C400 K401 F440	A394-C397 HydrophobicContact CB-CB 4.11Å; A394-C397 WeakPolarHBondContact O-CB 3.47Å; A394-C397 PolarHBondContact O-N 2.91Å; C397-C400 HydrophobicContact CB-CB 3.89Å; C397-C400 WeakPolarHBondContact CB-SG 3.45Å; C397-C400 WeakPolarHBondContact O-CB 3.44Å; C397-C400 PolarHBondContact O-N 3.36Å; C397-C400 PolarHBondContact SG-N 3.01Å; C397-C400 PolarHBondContact SG-SG 3.43Å; C397-K401 PolarHBondContact O-N 3.13Å; C397-K401 VanDerWaalsContact O-N 3.15Å; C397-F440 HydrophobicContact CB-CB 4.16Å; C397-F440 PolarHBondContact SG-O 2.85Å; C397-F440 VanDerWaalsContact SG-O 3.37Å
398	G	85.3	Confident	93.3	Very high	44 Å²	44	46.7 Å²	46.7	45%	0.454	24%	0.243	S	C	.	.	H	α-helix	trans	-59.6	-46	177.3	0	0	0	0	0	113	W396 C400 K401 Q402	W396-G398 PolarHBondContact O-N 3Å; G398-C400 VanDerWaalsContact C-N 3.31Å; G398-C400 PolarHBondContact O-N 3.22Å; G398-K401 WeakPolarHBondContact O-CB 3.3Å; G398-K401 PolarHBondContact O-N 3.23Å; G398-K401 VanDerWaalsContact O-N 3.1Å; G398-Q402 PolarHBondContact O-N 2.96Å
399	H	89.1	Confident	93.3	Very high	100 Å²	100	52.8 Å²	52.8	46%	0.463	27%	0.269	S	S	.	.	H	α-helix	trans	-63.2	-34.8	178	-61	-62.8	0	0	0	113	Q402 L403	H399-Q402 PolarHBondContact O-N 3.46Å; H399-L403 WeakPolarHBondContact O-CB 3.26Å; H399-L403 PolarHBondContact O-N 2.95Å
400	C	92.9	Very high	93.3	Very high	6 Å²	6	52.8 Å²	52.8	4%	0.041	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-42.9	173.3	-64	0	0	0	0	111	C397 G398 Q402 L403 A404	C397-C400 HydrophobicContact CB-CB 3.89Å; C397-C400 WeakPolarHBondContact CB-SG 3.45Å; C397-C400 WeakPolarHBondContact O-CB 3.44Å; C397-C400 PolarHBondContact O-N 3.36Å; C397-C400 PolarHBondContact SG-N 3.01Å; C397-C400 PolarHBondContact SG-SG 3.43Å; G398-C400 VanDerWaalsContact C-N 3.31Å; G398-C400 PolarHBondContact O-N 3.22Å; C400-Q402 VanDerWaalsContact C-N 3.3Å; C400-Q402 PolarHBondContact O-N 3.27Å; C400-L403 PolarHBondContact O-N 3.21Å; C400-A404 PolarHBondContact O-N 3.49Å
401	K	91.9	Very high	93.3	Very high	140 Å²	140	52.8 Å²	52.8	61%	0.609	27%	0.269	S	S	*	.	H	α-helix	trans	-63.1	-36.8	176.2	-68.4	177.5	-179.2	175.4	0	112.2	P395 C397 G398 P405	P395-K401 VanDerWaalsContact O-CE 3.24Å; P395-K401 WeakPolarHBondContact O-CE 3.48Å; C397-K401 PolarHBondContact O-N 3.13Å; C397-K401 VanDerWaalsContact O-N 3.15Å; G398-K401 WeakPolarHBondContact O-CB 3.3Å; G398-K401 PolarHBondContact O-N 3.23Å; G398-K401 VanDerWaalsContact O-N 3.1Å; K401-P405 WeakPolarHBondContact O-CD 3.4Å
402	Q	93.6	Very high	93.3	Very high	132 Å²	132	56.9 Å²	56.9	62%	0.617	29%	0.289	S	S	*	.	H	α-helix	trans	-68.7	-35.6	175.2	-170.8	-179.1	2.7	0	0	112.3	G398 H399 C400 P405	G398-Q402 PolarHBondContact O-N 2.96Å; H399-Q402 PolarHBondContact O-N 3.46Å; C400-Q402 VanDerWaalsContact C-N 3.3Å; C400-Q402 PolarHBondContact O-N 3.27Å; Q402-P405 WeakPolarHBondContact O-CD 3.3Å
403	L	96.9	Very high	93.3	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-75.4	-32.6	179.1	-179.8	59	0	0	0	113	E391 H399 C400 P405 I406 W407 P441 L443 R461 F466	E391-L403 HydrophobicContact CG-CD2 4.48Å; H399-L403 WeakPolarHBondContact O-CB 3.26Å; H399-L403 PolarHBondContact O-N 2.95Å; C400-L403 PolarHBondContact O-N 3.21Å; L403-P405 VanDerWaalsContact C-CD 3.45Å; L403-P405 VanDerWaalsContact O-N 3.16Å; L403-I406 HydrophobicContact CD1-CB 4.21Å; L403-I406 WeakPolarHBondContact O-CA 3.26Å; L403-I406 WeakPolarHBondContact O-CB 3.36Å; L403-I406 PolarHBondContact O-N 3.48Å; L403-W407 PolarHBondContact O-N 3.14Å; L403-P441 HydrophobicContact CD2-CB 4.03Å; L403-P441 HydrophobicContact CD2-CG 3.79Å; L403-L443 HydrophobicContact CD2-CD1 4.21Å; L403-L443 HydrophobicContact CD2-CD2 4.02Å; L403-R461 HydrophobicContact CD1-CB 4.3Å; L403-F466 HydrophobicContact CD1-CE2 3.83Å; L403-F466 HydrophobicContact CD1-CZ 3.71Å
404	A	96.2	Very high	93.5	Very high	33 Å²	33	58.3 Å²	58.3	27%	0.273	30%	0.301	S	S	.	.	H	α-helix	trans	-48.4	-45.5	-172.9	0	0	0	0	0	115.1	C400 I406 W407 D408	C400-A404 PolarHBondContact O-N 3.49Å; A404-I406 VanDerWaalsContact C-N 3.3Å; A404-I406 PolarHBondContact O-N 3.02Å; A404-W407 PolarHBondContact O-N 3.22Å; A404-D408 WeakPolarHBondContact O-CB 3.49Å; A404-D408 PolarHBondContact O-N 3.24Å
405	P	97.8	Very high	93.9	Very high	84 Å²	84	63.2 Å²	63.2	55%	0.545	32%	0.323	S	S	.	.	H	α-helix	trans	-65.1	-32.5	177.9	-18.5	31.5	0	0	0	113.6	K401 Q402 L403 K409	K401-P405 WeakPolarHBondContact O-CD 3.4Å; Q402-P405 WeakPolarHBondContact O-CD 3.3Å; L403-P405 VanDerWaalsContact C-CD 3.45Å; L403-P405 VanDerWaalsContact O-N 3.16Å; P405-K409 WeakPolarHBondContact O-CB 3.47Å; P405-K409 PolarHBondContact O-N 3.35Å
406	I	98.3	Very high	94.4	Very high	51 Å²	51	67.4 Å²	67.4	26%	0.262	34%	0.342	S	S	.	.	H	α-helix	trans	-73.9	-42.3	178.9	-55	169.7	0	0	0	109	L403 A404 K409 L410 L463 F466	L403-I406 HydrophobicContact CD1-CB 4.21Å; L403-I406 WeakPolarHBondContact O-CA 3.26Å; L403-I406 WeakPolarHBondContact O-CB 3.36Å; L403-I406 PolarHBondContact O-N 3.48Å; A404-I406 VanDerWaalsContact C-N 3.3Å; A404-I406 PolarHBondContact O-N 3.02Å; I406-K409 PolarHBondContact O-N 3.17Å; I406-L410 PolarHBondContact O-N 2.79Å; I406-L463 HydrophobicContact CG2-CB 4.17Å; I406-F466 HydrophobicContact CG2-CD2 4.13Å; I406-F466 HydrophobicContact CG2-CE2 3.74Å
407	W	98.3	Very high	95.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.1	-43.2	177.2	-157.3	-111	0	0	0	112.3	F389 E391 L403 A404 K409 L410 G411 I422 A423 L443 F466	F389-W407 AromaticContact CD1-CH2 3.6Å; F389-W407 HydrophobicContact CD1-CH2 3.6Å; F389-W407 HydrophobicContact CD1-CZ2 4.49Å; F389-W407 HydrophobicContact CD1-CZ3 4.15Å; F389-W407 HydrophobicContact CD2-CH2 4.09Å; F389-W407 AromaticContact CE1-CH2 3.73Å; F389-W407 HydrophobicContact CE1-CH2 3.73Å; F389-W407 AromaticContact CE1-CZ3 3.91Å; F389-W407 HydrophobicContact CE1-CZ3 3.91Å; F389-W407 HydrophobicContact CE2-CH2 4.19Å; F389-W407 AromaticContact CG-CH2 3.79Å; F389-W407 HydrophobicContact CG-CH2 3.79Å; F389-W407 HydrophobicContact CG-CZ2 4.43Å; F389-W407 HydrophobicContact CZ-CH2 4.02Å; F389-W407 HydrophobicContact CZ-CZ3 4.28Å; E391-W407 HydrophobicContact CB-CD2 4.05Å; E391-W407 HydrophobicContact CB-CG 4.44Å; E391-W407 HydrophobicContact CB-CH2 4.35Å; E391-W407 HydrophobicContact CB-CZ2 3.7Å; L403-W407 PolarHBondContact O-N 3.14Å; A404-W407 PolarHBondContact O-N 3.22Å; W407-K409 VanDerWaalsContact C-N 3.3Å; W407-K409 PolarHBondContact O-N 3.04Å; W407-L410 HydrophobicContact CE3-CD2 4Å; W407-L410 HydrophobicContact CH2-CD2 4.33Å; W407-L410 HydrophobicContact CZ3-CD2 3.9Å; W407-L410 WeakPolarHBondContact O-CB 3.4Å; W407-L410 PolarHBondContact O-N 2.68Å; W407-G411 PolarHBondContact O-N 3.49Å; W407-I422 HydrophobicContact CD2-CG2 4.28Å; W407-I422 HydrophobicContact CZ2-CG2 3.92Å; W407-A423 PolarHBondContact NE1-O 2.69Å; W407-L443 HydrophobicContact CH2-CD2 4.11Å; W407-L443 HydrophobicContact CZ3-CD1 4.15Å; W407-L443 HydrophobicContact CZ3-CD2 4.07Å; W407-F466 HydrophobicContact CE3-CD2 4.45Å; W407-F466 HydrophobicContact CE3-CE2 4.07Å; W407-F466 HydrophobicContact CE3-CZ 4.18Å; W407-F466 HydrophobicContact CZ3-CD1 4.32Å; W407-F466 HydrophobicContact CZ3-CD2 4.47Å; W407-F466 HydrophobicContact CZ3-CE1 4.09Å; W407-F466 HydrophobicContact CZ3-CE2 4.26Å; W407-F466 HydrophobicContact CZ3-CZ 4.07Å
408	D	98.1	Very high	95.7	Very high	79 Å²	79	71.3 Å²	71.3	42%	0.422	37%	0.365	S	S	.	.	H	α-helix	trans	-61.1	-39.8	174.6	-76.3	-11.3	0	0	0	111.5	A404 G411 E412	A404-D408 WeakPolarHBondContact O-CB 3.49Å; A404-D408 PolarHBondContact O-N 3.24Å; D408-G411 PolarHBondContact O-N 3.33Å; D408-E412 PolarHBondContact O-N 3.43Å
409	K	98.1	Very high	96.2	Very high	128 Å²	128	71.9 Å²	71.9	56%	0.557	36%	0.357	S	S	*	.	H	α-helix	trans	-69.4	-33.2	176.6	-166.9	168.1	-178.2	179.7	0	112.7	P405 I406 W407 T413 L463	P405-K409 WeakPolarHBondContact O-CB 3.47Å; P405-K409 PolarHBondContact O-N 3.35Å; I406-K409 PolarHBondContact O-N 3.17Å; W407-K409 VanDerWaalsContact C-N 3.3Å; W407-K409 PolarHBondContact O-N 3.04Å; K409-T413 PolarHBondContact O-N 2.79Å; K409-T413 VanDerWaalsContact O-N 3.08Å; K409-T413 PolarHBondContact O-OG1 3.44Å; K409-L463 HydrophobicContact CD-CD2 3.95Å; K409-L463 HydrophobicContact CG-CD2 4Å
410	L	98.3	Very high	96.6	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.1	-48.4	171.5	-176.3	68.5	0	0	0	110.3	F389 I406 W407 E412 T413 Y414 I422 L463 F466 L470	F389-L410 HydrophobicContact CD1-CD2 4.21Å; F389-L410 HydrophobicContact CE1-CD2 4.48Å; I406-L410 PolarHBondContact O-N 2.79Å; W407-L410 HydrophobicContact CE3-CD2 4Å; W407-L410 HydrophobicContact CH2-CD2 4.33Å; W407-L410 HydrophobicContact CZ3-CD2 3.9Å; W407-L410 WeakPolarHBondContact O-CB 3.4Å; W407-L410 PolarHBondContact O-N 2.68Å; L410-E412 VanDerWaalsContact C-N 3.35Å; L410-E412 PolarHBondContact O-N 2.86Å; L410-T413 WeakPolarHBondContact O-CB 3.44Å; L410-T413 PolarHBondContact O-N 3.31Å; L410-T413 VanDerWaalsContact O-N 3.1Å; L410-Y414 HydrophobicContact CD1-CD2 3.8Å; L410-Y414 HydrophobicContact CD1-CE2 3.65Å; L410-Y414 HydrophobicContact CG-CD2 4.3Å; L410-Y414 PolarHBondContact O-N 3.27Å; L410-Y414 VanDerWaalsContact O-N 3.15Å; L410-I422 HydrophobicContact CD2-CD1 3.93Å; L410-I422 HydrophobicContact CD2-CG1 4.45Å; L410-I422 HydrophobicContact CD2-CG2 4.31Å; L410-I422 HydrophobicContact CG-CD1 4.01Å; L410-I422 HydrophobicContact CG-CG1 4.17Å; L410-L463 HydrophobicContact CB-CD1 3.94Å; L410-L463 HydrophobicContact CD1-CD1 3.91Å; L410-F466 HydrophobicContact CD1-CB 3.75Å; L410-F466 HydrophobicContact CD2-CB 3.72Å; L410-F466 HydrophobicContact CD2-CD2 3.96Å; L410-F466 HydrophobicContact CD2-CG 3.95Å; L410-F466 HydrophobicContact CG-CB 4.36Å; L410-L470 HydrophobicContact CD1-CD1 4.07Å; L410-L470 HydrophobicContact CD2-CD1 4.38Å
411	G	98.3	Very high	96.9	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-55.1	-47.7	174.1	0	0	0	0	0	112.4	P368 W407 D408 T413 Y414 K415	P368-G411 VanDerWaalsContact CB-C 3.41Å; P368-G411 WeakPolarHBondContact CB-O 2.84Å; W407-G411 PolarHBondContact O-N 3.49Å; D408-G411 PolarHBondContact O-N 3.33Å; G411-T413 VanDerWaalsContact C-N 3.25Å; G411-T413 PolarHBondContact O-N 2.85Å; G411-Y414 PolarHBondContact O-N 3.11Å; G411-K415 PolarHBondContact O-N 3.09Å
412	E	98.1	Very high	97.2	Very high	92 Å²	92	62.4 Å²	62.4	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-33.4	177.7	-171.6	61.8	-158	0	0	112.6	P368 D408 L410 K415	P368-E412 WeakPolarHBondContact CG-OE2 3.41Å; D408-E412 PolarHBondContact O-N 3.43Å; L410-E412 VanDerWaalsContact C-N 3.35Å; L410-E412 PolarHBondContact O-N 2.86Å; E412-K415 WeakPolarHBondContact O-CG 3.38Å; E412-K415 WeakPolarHBondContact OE1-CE 3.37Å; E412-K415 IonicContact OE1-NZ 2.67Å; E412-K415 PolarHBondContact OE1-NZ 3.14Å
413	T	97.8	Very high	97.4	Very high	68 Å²	68	56.1 Å²	56.1	42%	0.417	29%	0.288	S	S	.	.	H	α-helix	trans	-69.4	-38	178.3	-57.7	0	0	0	0	112.2	K409 L410 G411	K409-T413 PolarHBondContact O-N 2.79Å; K409-T413 VanDerWaalsContact O-N 3.08Å; K409-T413 PolarHBondContact O-OG1 3.44Å; L410-T413 WeakPolarHBondContact O-CB 3.44Å; L410-T413 PolarHBondContact O-N 3.31Å; L410-T413 VanDerWaalsContact O-N 3.1Å; G411-T413 VanDerWaalsContact C-N 3.25Å; G411-T413 PolarHBondContact O-N 2.85Å
414	Y	97.4	Very high	97.5	Very high	19 Å²	19	58.3 Å²	58.3	8%	0.075	30%	0.297	C	S	.	.	H	α-helix	trans	-101.3	4.7	-175	-74.8	-76.2	0	0	0	114.4	L410 G411 D416 H417 I420 I422 K467 L470	L410-Y414 HydrophobicContact CD1-CD2 3.8Å; L410-Y414 HydrophobicContact CD1-CE2 3.65Å; L410-Y414 HydrophobicContact CG-CD2 4.3Å; L410-Y414 PolarHBondContact O-N 3.27Å; L410-Y414 VanDerWaalsContact O-N 3.15Å; G411-Y414 PolarHBondContact O-N 3.11Å; Y414-D416 PolarHBondContact O-N 2.85Å; Y414-D416 VanDerWaalsContact O-N 3.09Å; Y414-H417 HydrophobicContact CD1-CB 4.03Å; Y414-H417 AromaticContact CD1-CD2 3.96Å; Y414-H417 WeakPolarHBondContact O-CB 3.29Å; Y414-H417 PolarHBondContact O-N 2.89Å; Y414-I420 HydrophobicContact CD1-CB 4.16Å; Y414-I420 HydrophobicContact CD1-CD1 3.75Å; Y414-I420 HydrophobicContact CD1-CG2 3.96Å; Y414-I420 HydrophobicContact CE1-CD1 3.59Å; Y414-I420 HydrophobicContact CG-CG2 3.93Å; Y414-I422 HydrophobicContact CD2-CD1 4.5Å; Y414-K467 HydrophobicContact CE2-CG 4.22Å; Y414-L470 HydrophobicContact CD2-CD1 3.96Å; Y414-L470 HydrophobicContact CE2-CD1 3.53Å
415	K	96.2	Very high	97.5	Very high	104 Å²	104	56.9 Å²	56.9	45%	0.452	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.7	-174.6	73.7	-176.3	-178	178.9	0	115.1	P368 G411 E412	P368-K415 HydrophobicContact CB-CB 4.16Å; G411-K415 PolarHBondContact O-N 3.09Å; E412-K415 WeakPolarHBondContact O-CG 3.38Å; E412-K415 WeakPolarHBondContact OE1-CE 3.37Å; E412-K415 IonicContact OE1-NZ 2.67Å; E412-K415 PolarHBondContact OE1-NZ 3.14Å
416	D	95.6	Very high	97.3	Very high	145 Å²	145	53.6 Å²	53.6	78%	0.775	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	7	-179.3	-61.7	-49.4	0	0	0	112.1	Y414	Y414-D416 PolarHBondContact O-N 2.85Å; Y414-D416 VanDerWaalsContact O-N 3.09Å
417	H	96.3	Very high	97	Very high	89 Å²	89	52 Å²	52	41%	0.412	26%	0.256	S	S	.	.			trans	-73.5	138.2	179.7	-159.5	-89	0	0	0	111	Y414 N419 I420	Y414-H417 HydrophobicContact CD1-CB 4.03Å; Y414-H417 AromaticContact CD1-CD2 3.96Å; Y414-H417 WeakPolarHBondContact O-CB 3.29Å; Y414-H417 PolarHBondContact O-N 2.89Å; H417-N419 VanDerWaalsContact C-N 3.33Å; H417-N419 PolarHBondContact CE1-OD1 3.31Å; H417-N419 PolarHBondContact ND1-N 2.7Å; H417-N419 PolarHBondContact ND1-OD1 3.46Å; H417-N419 VanDerWaalsContact ND1-OD1 3.09Å; H417-N419 PolarHBondContact O-N 3.48Å; H417-I420 HydrophobicContact CB-CB 4.13Å; H417-I420 WeakPolarHBondContact ND1-CG1 3.47Å; H417-I420 PolarHBondContact ND1-N 2.9Å
418	E	95	Very high	96.1	Very high	178 Å²	178	52.8 Å²	52.8	83%	0.832	26%	0.261	S	S	*	.	S	Bend	trans	-64.4	-37.2	-172	-169.3	-176.7	175.6	0	0	112.7	K386	K386-E418 PolarHBondContact NZ-O 2.98Å
419	N	95.9	Very high	95.5	Very high	56 Å²	56	50 Å²	50	30%	0.299	25%	0.249	S	C	.	.	S	Bend	trans	-131.3	4.8	-172.6	70.2	5.9	0	0	0	115.6	K386 N387 H417	K386-N419 CarbonylContact C-O 3.54Å; K386-N419 WeakPolarHBondContact CA-O 3.11Å; N387-N419 PolarHBondContact N-O 3.14Å; H417-N419 VanDerWaalsContact C-N 3.33Å; H417-N419 PolarHBondContact CE1-OD1 3.31Å; H417-N419 PolarHBondContact ND1-N 2.7Å; H417-N419 PolarHBondContact ND1-OD1 3.46Å; H417-N419 VanDerWaalsContact ND1-OD1 3.09Å; H417-N419 PolarHBondContact O-N 3.48Å
420	I	97.9	Very high	95.1	Very high	18 Å²	18	44 Å²	44	9%	0.092	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.2	177.2	-71.3	169.7	0	0	0	109	N387 Y414 H417 I422 L470	N387-I420 HydrophobicContact CB-CG1 4.05Å; N387-I420 CarbonylContact O-C 3.6Å; N387-I420 WeakPolarHBondContact O-CA 3.26Å; Y414-I420 HydrophobicContact CD1-CB 4.16Å; Y414-I420 HydrophobicContact CD1-CD1 3.75Å; Y414-I420 HydrophobicContact CD1-CG2 3.96Å; Y414-I420 HydrophobicContact CE1-CD1 3.59Å; Y414-I420 HydrophobicContact CG-CG2 3.93Å; H417-I420 HydrophobicContact CB-CB 4.13Å; H417-I420 WeakPolarHBondContact ND1-CG1 3.47Å; H417-I420 PolarHBondContact ND1-N 2.9Å; I420-I422 HydrophobicContact CG2-CD1 3.91Å; I420-L470 HydrophobicContact CD1-CB 4.41Å; I420-L470 HydrophobicContact CG2-CD1 4.44Å; I420-L470 HydrophobicContact CG2-CD2 4.36Å
421	V	98.3	Very high	94.4	Very high	25 Å²	25	45.9 Å²	45.9	15%	0.152	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.4	175.6	179.9	0	0	0	0	108.6	K370 K386 N387 V388 F389	K370-V421 HydrophobicContact CB-CG1 4.42Å; K370-V421 HydrophobicContact CG-CG1 3.67Å; K386-V421 HydrophobicContact CB-CG2 4.23Å; K386-V421 HydrophobicContact CD-CG2 4.19Å; K386-V421 HydrophobicContact CG-CG2 4.3Å; N387-V421 PolarHBondContact O-N 2.83Å; V388-V421 WeakPolarHBondContact CA-O 3.3Å; V388-V421 HydrophobicContact CG1-CB 4.19Å; V388-V421 HydrophobicContact CG1-CG1 4.25Å; V388-V421 HydrophobicContact CG2-CB 4.23Å; F389-V421 PolarHBondContact N-O 3.35Å
422	I	98.7	Very high	93.8	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.4	171.1	-51.6	-55	0	0	0	107.6	V369 K370 F389 W407 L410 Y414 I420 L470	V369-I422 WeakPolarHBondContact CA-O 3.19Å; V369-I422 HydrophobicContact CG1-CG2 4.46Å; V369-I422 HydrophobicContact CG2-CG2 4.15Å; K370-I422 PolarHBondContact N-O 3.48Å; F389-I422 HydrophobicContact CB-CD1 4.11Å; W407-I422 HydrophobicContact CD2-CG2 4.28Å; W407-I422 HydrophobicContact CZ2-CG2 3.92Å; L410-I422 HydrophobicContact CD2-CD1 3.93Å; L410-I422 HydrophobicContact CD2-CG1 4.45Å; L410-I422 HydrophobicContact CD2-CG2 4.31Å; L410-I422 HydrophobicContact CG-CD1 4.01Å; L410-I422 HydrophobicContact CG-CG1 4.17Å; Y414-I422 HydrophobicContact CD2-CD1 4.5Å; I420-I422 HydrophobicContact CG2-CD1 3.91Å; I422-L470 HydrophobicContact CD1-CD1 3.9Å
423	A	98.6	Very high	93	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	166.1	-176	0	0	0	0	0	112	K370 L372 V388 F389 V390 E391 W407	K370-A423 HydrophobicContact CB-CB 4.14Å; K370-A423 CarbonylContact O-C 3.53Å; K370-A423 WeakPolarHBondContact O-CA 3.48Å; L372-A423 HydrophobicContact CD1-CB 3.73Å; L372-A423 HydrophobicContact CD2-CB 4.33Å; L372-A423 HydrophobicContact CG-CB 3.81Å; V388-A423 HydrophobicContact CG1-CB 4.41Å; F389-A423 PolarHBondContact O-N 3.07Å; V390-A423 WeakPolarHBondContact CA-O 3.27Å; V390-A423 HydrophobicContact CG2-CB 4.16Å; E391-A423 PolarHBondContact N-O 3.05Å; W407-A423 PolarHBondContact NE1-O 2.69Å
424	K	98.4	Very high	92.3	Very high	52 Å²	52	48.5 Å²	48.5	23%	0.226	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	149.5	170.7	66.3	-175.1	174.8	-169.3	0	111.4	V369 K370 L372 E391 Y393	V369-K424 HydrophobicContact CG1-CB 4.19Å; V369-K424 HydrophobicContact CG1-CD 3.97Å; V369-K424 HydrophobicContact CG1-CG 3.88Å; K370-K424 PolarHBondContact O-N 2.92Å; L372-K424 PolarHBondContact N-O 3.05Å; E391-K424 HydrophobicContact CB-CB 4.14Å; E391-K424 CarbonylContact O-C 3.59Å; E391-K424 VanDerWaalsContact O-CA 3.22Å; E391-K424 WeakPolarHBondContact O-CA 3.48Å; Y393-K424 HydrophobicContact CD1-CB 4.17Å; Y393-K424 HydrophobicContact CE1-CB 4.09Å; Y393-K424 HydrophobicContact CE1-CD 4.1Å; Y393-K424 HydrophobicContact CE1-CG 4.05Å
425	M	97.1	Very high	91.8	Very high	2 Å²	2	48 Å²	48	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	126.4	176.5	-169.9	164	79.6	0	0	110.4	L372 F377 E391 F392 Y393 S427 N430 V432	L372-M425 HydrophobicContact CB-CB 4.16Å; L372-M425 HydrophobicContact CB-CG 4.4Å; L372-M425 HydrophobicContact CB-SD 4.3Å; L372-M425 WeakPolarHBondContact O-CG 3.46Å; F377-M425 HydrophobicContact CB-SD 4.26Å; F377-M425 HydrophobicContact CD2-CE 4.16Å; F377-M425 HydrophobicContact CD2-SD 3.88Å; F377-M425 HydrophobicContact CG-SD 4.34Å; E391-M425 PolarHBondContact O-N 3.43Å; F392-M425 HydrophobicContact CD1-CB 4.43Å; F392-M425 HydrophobicContact CD1-CE 3.72Å; F392-M425 HydrophobicContact CE1-CE 3.48Å; F392-M425 VanDerWaalsContact CE1-CE 3.48Å; Y393-M425 VanDerWaalsContact CD1-O 3.32Å; Y393-M425 WeakPolarHBondContact CD1-O 3.42Å; Y393-M425 VanDerWaalsContact CE1-C 3.48Å; Y393-M425 PolarHBondContact N-O 3.08Å; Y393-M425 VanDerWaalsContact N-O 3.08Å; M425-S427 PolarHBondContact O-N 3.34Å; M425-S427 VanDerWaalsContact O-N 3.08Å; M425-S427 PolarHBondContact O-OG 3.45Å; M425-N430 HydrophobicContact CE-CB 4.31Å; M425-N430 HydrophobicContact CG-CB 3.94Å; M425-N430 HydrophobicContact SD-CB 3.92Å; M425-V432 HydrophobicContact CE-CG1 3.84Å; M425-V432 HydrophobicContact CE-CG2 3.9Å; M425-V432 HydrophobicContact SD-CG1 4.19Å
426	D	93.6	Very high	90.8	Very high	16 Å²	16	46.1 Å²	46.1	9%	0.086	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	104.6	168.4	-176.2	-19.2	0	0	0	108.6	Y393 P395 T428 A429 N430	Y393-D426 HydrophobicContact CE1-CB 4.13Å; Y393-D426 HydrophobicContact CE2-CB 4.26Å; P395-D426 WeakPolarHBondContact CG-OD2 3.3Å; D426-T428 PolarHBondContact O-N 3.37Å; D426-T428 WeakPolarHBondContact OD1-CB 3.4Å; D426-T428 PolarHBondContact OD1-N 2.82Å; D426-T428 PolarHBondContact OD1-OG1 2.75Å; D426-A429 PolarHBondContact O-N 3.45Å; D426-A429 PolarHBondContact OD1-N 3.18Å; D426-N430 WeakPolarHBondContact O-CB 3.46Å; D426-N430 PolarHBondContact O-N 2.95Å; D426-N430 VanDerWaalsContact O-N 3.12Å; D426-N430 PolarHBondContact O-ND2 2.9Å
427	S	90.4	Very high	90.2	Very high	17 Å²	17	41 Å²	41	12%	0.119	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	1.6	-174.7	-62.2	0	0	0	0	113.2	F392 Y393 M425 N430	F392-S427 VanDerWaalsContact CB-OG 3.3Å; F392-S427 WeakPolarHBondContact CB-OG 3.29Å; F392-S427 VanDerWaalsContact CD1-OG 3.31Å; F392-S427 WeakPolarHBondContact CD1-OG 3.19Å; Y393-S427 PolarHBondContact O-N 3.46Å; M425-S427 PolarHBondContact O-N 3.34Å; M425-S427 VanDerWaalsContact O-N 3.08Å; M425-S427 PolarHBondContact O-OG 3.45Å; S427-N430 CarbonylContact C-O 3.57Å; S427-N430 WeakPolarHBondContact CA-O 3.23Å
428	T	80.9	Confident	89.2	Confident	17 Å²	17	42.4 Å²	42.4	10%	0.104	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-26.4	171.4	72.9	0	0	0	0	111.5	A394 W396 D426 F440	A394-T428 HydrophobicContact CB-CG2 3.42Å; A394-T428 VanDerWaalsContact CB-CG2 3.42Å; W396-T428 VanDerWaalsContact CH2-CB 3.42Å; W396-T428 HydrophobicContact CH2-CG2 3.45Å; W396-T428 VanDerWaalsContact CH2-CG2 3.45Å; W396-T428 WeakPolarHBondContact CH2-OG1 3.48Å; W396-T428 HydrophobicContact CZ2-CG2 3.43Å; W396-T428 VanDerWaalsContact CZ2-CG2 3.43Å; W396-T428 HydrophobicContact CZ3-CG2 4.19Å; D426-T428 PolarHBondContact O-N 3.37Å; D426-T428 WeakPolarHBondContact OD1-CB 3.4Å; D426-T428 PolarHBondContact OD1-N 2.82Å; D426-T428 PolarHBondContact OD1-OG1 2.75Å; T428-F440 HydrophobicContact CG2-CZ 4.34Å
429	A	85.5	Confident	88.6	Confident	20 Å²	20	36.4 Å²	36.4	17%	0.165	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-5.4	-179.5	0	0	0	0	0	113.4	Q358 D426	Q358-A429 VanDerWaalsContact CD-CB 3.4Å; Q358-A429 HydrophobicContact CG-CB 3.6Å; D426-A429 PolarHBondContact O-N 3.45Å; D426-A429 PolarHBondContact OD1-N 3.18Å
430	N	88.3	Confident	88.2	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.016	19%	0.194	C	C	.	.			trans	-136.5	137.1	179.8	-57.2	-86.5	0	0	0	110.8	M356 S357 Q358 V373 G374 M425 D426 S427	M356-N430 CarbonylContact O-C 3.53Å; M356-N430 WeakPolarHBondContact O-CA 3.47Å; S357-N430 WeakPolarHBondContact CA-OD1 3.15Å; S357-N430 PolarHBondContact OG-OD1 3.28Å; Q358-N430 PolarHBondContact N-OD1 2.95Å; Q358-N430 PolarHBondContact OE1-ND2 2.91Å; V373-N430 VanDerWaalsContact CA-OD1 3.3Å; V373-N430 WeakPolarHBondContact CA-OD1 3.43Å; V373-N430 WeakPolarHBondContact CB-OD1 3.32Å; G374-N430 PolarHBondContact N-OD1 2.79Å; G374-N430 VanDerWaalsContact N-OD1 3.12Å; M425-N430 HydrophobicContact CE-CB 4.31Å; M425-N430 HydrophobicContact CG-CB 3.94Å; M425-N430 HydrophobicContact SD-CB 3.92Å; D426-N430 WeakPolarHBondContact O-CB 3.46Å; D426-N430 PolarHBondContact O-N 2.95Å; D426-N430 VanDerWaalsContact O-N 3.12Å; D426-N430 PolarHBondContact O-ND2 2.9Å; S427-N430 CarbonylContact C-O 3.57Å; S427-N430 WeakPolarHBondContact CA-O 3.23Å
431	E	84.8	Confident	88.1	Confident	39 Å²	39	35.9 Å²	35.9	18%	0.182	19%	0.19	C	C	.	.			trans	-126.6	142.2	172.6	-66.1	175.6	159.8	0	0	108.8	K326 L355 M356	K326-E431 VanDerWaalsContact CD-OE1 3.25Å; K326-E431 WeakPolarHBondContact CD-OE1 3.32Å; K326-E431 WeakPolarHBondContact CE-OE1 3.3Å; K326-E431 IonicContact NZ-OE1 3.44Å; K326-E431 PolarHBondContact NZ-OE1 2.8Å; L355-E431 HydrophobicContact CB-CB 4.25Å; L355-E431 HydrophobicContact CD2-CB 3.76Å; M356-E431 PolarHBondContact O-N 2.92Å
432	V	84.5	Confident	87.9	Confident	11 Å²	11	35.5 Å²	35.5	7%	0.067	19%	0.188	C	C	.	.			trans	-131.5	151.6	-179.8	-66.5	0	0	0	0	109.8	F377 M425 V435	F377-V432 HydrophobicContact CB-CG1 3.73Å; F377-V432 HydrophobicContact CD1-CB 3.89Å; F377-V432 HydrophobicContact CD1-CG1 3.68Å; F377-V432 HydrophobicContact CD1-CG2 4.06Å; F377-V432 HydrophobicContact CD2-CG1 4.38Å; F377-V432 HydrophobicContact CE1-CB 4.22Å; F377-V432 HydrophobicContact CE1-CG1 4.42Å; F377-V432 HydrophobicContact CE1-CG2 3.95Å; F377-V432 HydrophobicContact CG-CB 4.33Å; F377-V432 HydrophobicContact CG-CG1 3.66Å; F377-V432 HydrophobicContact CG-CG2 4.44Å; F377-V432 HydrophobicContact CZ-CG2 4.26Å; M425-V432 HydrophobicContact CE-CG1 3.84Å; M425-V432 HydrophobicContact CE-CG2 3.9Å; M425-V432 HydrophobicContact SD-CG1 4.19Å; V432-V435 HydrophobicContact CG2-CB 3.79Å; V432-V435 HydrophobicContact CG2-CG2 4.42Å; V432-V435 VanDerWaalsContact O-O 3.1Å
433	E	82.3	Confident	87.8	Confident	165 Å²	165	35.6 Å²	35.6	77%	0.771	19%	0.188	S	C	*	.	S	Bend	trans	-69.8	-40.5	-176.4	-168.2	173	177	0	0	111.5	L355 V435	L355-E433 HydrophobicContact CD1-CB 3.94Å; E433-V435 VanDerWaalsContact C-N 3.34Å; E433-V435 PolarHBondContact O-N 2.89Å
434	A	83.9	Confident	87.7	Confident	38 Å²	38	36.9 Å²	36.9	31%	0.314	19%	0.194	S	C	.	.	S	Bend	trans	-77.6	-15	-171.6	0	0	0	0	0	114.8	F382	F382-A434 HydrophobicContact CE2-CB 3.53Å; F382-A434 HydrophobicContact CZ-CB 3.66Å
435	V	85.1	Confident	87.7	Confident	9 Å²	9	34.5 Å²	34.5	6%	0.055	18%	0.183	C	C	.	.			trans	-136.3	127.8	-176.1	-179.2	0	0	0	0	109.9	F377 F392 V432 E433 V437 K444 F446	F377-V435 HydrophobicContact CE1-CG2 4.26Å; F377-V435 HydrophobicContact CZ-CG2 3.77Å; F392-V435 HydrophobicContact CD1-CG1 4.31Å; F392-V435 HydrophobicContact CE1-CB 4.13Å; F392-V435 HydrophobicContact CE1-CG1 3.8Å; F392-V435 HydrophobicContact CE1-CG2 4.43Å; F392-V435 HydrophobicContact CE2-CG1 4.1Å; F392-V435 HydrophobicContact CZ-CB 4.08Å; F392-V435 HydrophobicContact CZ-CG1 3.69Å; F392-V435 HydrophobicContact CZ-CG2 3.93Å; V432-V435 HydrophobicContact CG2-CB 3.79Å; V432-V435 HydrophobicContact CG2-CG2 4.42Å; V432-V435 VanDerWaalsContact O-O 3.1Å; E433-V435 VanDerWaalsContact C-N 3.34Å; E433-V435 PolarHBondContact O-N 2.89Å; V435-V437 HydrophobicContact CG1-CG2 3.86Å; V435-K444 HydrophobicContact CG1-CD 3.71Å; V435-K444 HydrophobicContact CG2-CD 4.37Å; V435-F446 HydrophobicContact CG2-CE1 3.96Å; V435-F446 HydrophobicContact CG2-CZ 3.71Å
436	K	75.9	Confident	87.7	Confident	65 Å²	65	34.5 Å²	34.5	28%	0.283	18%	0.184	S	C	.	.			trans	-107.1	137.5	169.7	-56.3	-59	-178.3	179.4	0	108.7
437	V	82.7	Confident	87.8	Confident	38 Å²	38	34.9 Å²	34.9	23%	0.23	19%	0.187	C	C	.	.			trans	-130	114.5	-175.1	-176.6	0	0	0	0	108.2	F392 V435 S439 F440	F392-V437 HydrophobicContact CB-CG1 4.07Å; F392-V437 HydrophobicContact CB-CG2 3.73Å; F392-V437 HydrophobicContact CD1-CG2 3.69Å; F392-V437 HydrophobicContact CE1-CG2 4.46Å; F392-V437 HydrophobicContact CG-CG2 3.74Å; V435-V437 HydrophobicContact CG1-CG2 3.86Å; V437-S439 WeakPolarHBondContact CG1-O 3.32Å; V437-F440 HydrophobicContact CB-CE1 4.42Å; V437-F440 HydrophobicContact CG1-CD1 3.83Å; V437-F440 HydrophobicContact CG1-CE1 3.46Å; V437-F440 VanDerWaalsContact CG1-CE1 3.46Å; V437-F440 HydrophobicContact CG1-CZ 4.3Å
438	H	75.3	Confident	88	Confident	117 Å²	117	35.2 Å²	35.2	54%	0.542	19%	0.19	S	C	.	.			trans	-104.8	-26.8	-178.5	9.9	81.5	0	0	0	112.3
439	S	82.8	Confident	88.6	Confident	53 Å²	53	39.3 Å²	39.3	37%	0.371	22%	0.22	S	C	.	.	S	Bend	trans	-132.9	158.5	-179	63.5	0	0	0	0	111.4	V437 T442	V437-S439 WeakPolarHBondContact CG1-O 3.32Å; S439-T442 PolarHBondContact O-OG1 2.87Å
440	F	88.2	Confident	88.8	Confident	61 Å²	61	39.8 Å²	39.8	27%	0.268	22%	0.224	S	C	.	.	S	Bend	trans	-128.3	137.5	-175.4	-53	-70.6	0	0	0	111.6	A394 C397 T428 V437	A394-F440 HydrophobicContact CB-CB 4.19Å; A394-F440 HydrophobicContact CB-CD1 4.08Å; A394-F440 HydrophobicContact CB-CD2 3.66Å; A394-F440 HydrophobicContact CB-CE1 4.42Å; A394-F440 HydrophobicContact CB-CE2 4.01Å; A394-F440 HydrophobicContact CB-CG 3.69Å; A394-F440 HydrophobicContact CB-CZ 4.38Å; C397-F440 HydrophobicContact CB-CB 4.16Å; C397-F440 PolarHBondContact SG-O 2.85Å; C397-F440 VanDerWaalsContact SG-O 3.37Å; T428-F440 HydrophobicContact CG2-CZ 4.34Å; V437-F440 HydrophobicContact CB-CE1 4.42Å; V437-F440 HydrophobicContact CG1-CD1 3.83Å; V437-F440 HydrophobicContact CG1-CE1 3.46Å; V437-F440 VanDerWaalsContact CG1-CE1 3.46Å; V437-F440 HydrophobicContact CG1-CZ 4.3Å
441	P	94.3	Very high	88.8	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.013	26%	0.259	C	S	.	.	S	Bend	cis	-72.6	144.3	-11.2	30.1	-33.5	0	0	0	111.6	E391 F392 L403 L443 R461	E391-P441 HydrophobicContact CG-CB 4.38Å; F392-P441 WeakPolarHBondContact O-CA 3.22Å; L403-P441 HydrophobicContact CD2-CB 4.03Å; L403-P441 HydrophobicContact CD2-CG 3.79Å; P441-L443 HydrophobicContact CB-CD2 4.38Å; P441-R461 PolarHBondContact O-NH2 3.43Å
442	T	95	Very high	89.1	Confident	17 Å²	17	50.6 Å²	50.6	10%	0.104	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.1	164.2	-71.9	0	0	0	0	108.2	F392 S439 K444	F392-T442 WeakPolarHBondContact CB-O 3.31Å; F392-T442 WeakPolarHBondContact CD2-O 3.43Å; F392-T442 PolarHBondContact N-O 2.81Å; F392-T442 PolarHBondContact O-N 2.92Å; S439-T442 PolarHBondContact O-OG1 2.87Å; T442-K444 HydrophobicContact CG2-CD 4.49Å; T442-K444 HydrophobicContact CG2-CG 4.02Å
443	L	96.7	Very high	89.5	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.8	-175.6	-57.5	-175.8	0	0	0	109.1	F389 E391 L403 W407 P441 Y457 F466	F389-L443 HydrophobicContact CE2-CB 4.09Å; F389-L443 HydrophobicContact CZ-CB 4.34Å; E391-L443 HydrophobicContact CB-CD2 3.7Å; E391-L443 HydrophobicContact CG-CD2 3.77Å; L403-L443 HydrophobicContact CD2-CD1 4.21Å; L403-L443 HydrophobicContact CD2-CD2 4.02Å; W407-L443 HydrophobicContact CH2-CD2 4.11Å; W407-L443 HydrophobicContact CZ3-CD1 4.15Å; W407-L443 HydrophobicContact CZ3-CD2 4.07Å; P441-L443 HydrophobicContact CB-CD2 4.38Å; L443-Y457 HydrophobicContact CB-CD1 4.3Å; L443-Y457 HydrophobicContact CB-CG 4.5Å; L443-Y457 HydrophobicContact CD1-CD1 3.79Å; L443-Y457 HydrophobicContact CD1-CE1 4.33Å; L443-Y457 PolarHBondContact O-N 2.79Å; L443-F466 HydrophobicContact CD1-CE1 3.61Å; L443-F466 HydrophobicContact CD1-CZ 3.94Å
444	K	96.8	Very high	90.1	Very high	27 Å²	27	48 Å²	48	12%	0.117	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.8	179.9	-54.1	-164.8	176	-116	0	112.4	F389 V390 F392 V435 T442 F446 V454 I455 D456	F389-K444 WeakPolarHBondContact CD2-O 3.19Å; V390-K444 PolarHBondContact N-O 2.87Å; V390-K444 PolarHBondContact O-N 2.86Å; V390-K444 VanDerWaalsContact O-N 3.08Å; F392-K444 HydrophobicContact CD2-CG 4.46Å; F392-K444 HydrophobicContact CE2-CB 3.98Å; F392-K444 HydrophobicContact CE2-CG 4.12Å; V435-K444 HydrophobicContact CG1-CD 3.71Å; V435-K444 HydrophobicContact CG2-CD 4.37Å; T442-K444 HydrophobicContact CG2-CD 4.49Å; T442-K444 HydrophobicContact CG2-CG 4.02Å; K444-F446 HydrophobicContact CB-CE2 3.99Å; K444-F446 HydrophobicContact CB-CZ 4.05Å; K444-F446 WeakPolarHBondContact O-CE2 3.44Å; K444-V454 HydrophobicContact CB-CG1 3.85Å; K444-V454 HydrophobicContact CD-CG1 3.72Å; K444-V454 HydrophobicContact CG-CG1 4.34Å; K444-I455 WeakPolarHBondContact CA-O 3.21Å; K444-D456 WeakPolarHBondContact CD-OD1 3.49Å; K444-D456 VanDerWaalsContact CE-OD1 3.23Å; K444-D456 WeakPolarHBondContact CE-OD1 3.22Å; K444-D456 VanDerWaalsContact CG-OD1 3.29Å; K444-D456 WeakPolarHBondContact CG-OD1 3.2Å; K444-D456 IonicContact NZ-OD1 3.57Å; K444-D456 PolarHBondContact NZ-OD1 2.66Å; K444-D456 IonicContact NZ-OD2 3.53Å; K444-D456 PolarHBondContact NZ-OD2 3.17Å
445	F	97.2	Very high	90.6	Very high	1 Å²	1	48 Å²	48	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.6	-178.4	-178.2	-116.8	0	0	0	111.6	N387 V388 F389 P447 V454 I455 F469 L470	N387-F445 HydrophobicContact CB-CE2 3.77Å; N387-F445 HydrophobicContact CB-CZ 3.71Å; V388-F445 CarbonylContact O-C 3.52Å; V388-F445 WeakPolarHBondContact O-CA 3.36Å; V388-F445 VanDerWaalsContact O-CD2 3.25Å; V388-F445 WeakPolarHBondContact O-CD2 3.3Å; F389-F445 HydrophobicContact CB-CD2 3.92Å; F389-F445 HydrophobicContact CD2-CB 3.88Å; F389-F445 HydrophobicContact CD2-CD2 4.28Å; F389-F445 HydrophobicContact CE2-CB 4.28Å; F389-F445 HydrophobicContact CG-CD2 4.24Å; F445-P447 HydrophobicContact CD1-CB 4.47Å; F445-P447 HydrophobicContact CD1-CG 3.82Å; F445-P447 HydrophobicContact CE1-CB 3.89Å; F445-P447 HydrophobicContact CE1-CG 3.72Å; F445-P447 HydrophobicContact CZ-CB 4.48Å; F445-V454 WeakPolarHBondContact O-CA 3.13Å; F445-I455 HydrophobicContact CB-CB 4.37Å; F445-I455 HydrophobicContact CD1-CD1 4.25Å; F445-I455 PolarHBondContact N-O 3.2Å; F445-I455 PolarHBondContact O-N 3.16Å; F445-F469 HydrophobicContact CB-CE1 3.56Å; F445-F469 HydrophobicContact CB-CZ 3.75Å; F445-F469 HydrophobicContact CD1-CE1 4.06Å; F445-F469 HydrophobicContact CD1-CZ 4.18Å; F445-F469 HydrophobicContact CD2-CE1 4.31Å; F445-F469 AromaticContact CG-CE1 3.73Å; F445-F469 HydrophobicContact CG-CE1 3.73Å; F445-F469 HydrophobicContact CG-CZ 4.14Å; F445-L470 HydrophobicContact CD2-CD2 4.07Å; F445-L470 HydrophobicContact CE2-CD2 3.68Å; F445-L470 HydrophobicContact CZ-CD2 4.43Å
446	F	96.9	Very high	90.9	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.013	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	96.5	-176.6	-54.6	-95.7	0	0	0	107.1	F377 A381 F382 N387 V388 V390 F392 V435 K444 V454	F377-F446 HydrophobicContact CE2-CZ 4.37Å; F377-F446 HydrophobicContact CZ-CE1 4.02Å; F377-F446 HydrophobicContact CZ-CE2 4.39Å; F377-F446 AromaticContact CZ-CZ 3.73Å; F377-F446 HydrophobicContact CZ-CZ 3.73Å; A381-F446 HydrophobicContact CB-CD1 4.27Å; A381-F446 HydrophobicContact CB-CD2 4.23Å; A381-F446 HydrophobicContact CB-CE1 4.5Å; A381-F446 HydrophobicContact CB-CE2 4.49Å; A381-F446 HydrophobicContact CB-CG 4.16Å; A381-F446 WeakPolarHBondContact O-CB 3.17Å; F382-F446 HydrophobicContact CD1-CD1 4.31Å; F382-F446 AromaticContact CE1-CD1 3.74Å; F382-F446 HydrophobicContact CE1-CD1 3.74Å; F382-F446 HydrophobicContact CE1-CE1 4.24Å; F382-F446 HydrophobicContact CE2-CD1 4.47Å; F382-F446 HydrophobicContact CE2-CE1 4.41Å; F382-F446 AromaticContact CZ-CD1 3.83Å; F382-F446 HydrophobicContact CZ-CD1 3.83Å; F382-F446 AromaticContact CZ-CE1 3.86Å; F382-F446 HydrophobicContact CZ-CE1 3.86Å; N387-F446 WeakPolarHBondContact CA-O 3.39Å; V388-F446 HydrophobicContact CB-CB 4.28Å; V388-F446 HydrophobicContact CB-CD2 4.49Å; V388-F446 PolarHBondContact N-O 2.79Å; V388-F446 WeakPolarHBondContact O-CD2 3.28Å; V388-F446 PolarHBondContact O-N 2.83Å; V390-F446 HydrophobicContact CB-CE2 4.04Å; V390-F446 HydrophobicContact CG2-CD2 3.9Å; V390-F446 HydrophobicContact CG2-CE2 3.66Å; F392-F446 HydrophobicContact CE2-CE2 4.43Å; F392-F446 HydrophobicContact CE2-CZ 4.44Å; F392-F446 HydrophobicContact CZ-CE2 4.43Å; F392-F446 HydrophobicContact CZ-CZ 4.19Å; V435-F446 HydrophobicContact CG2-CE1 3.96Å; V435-F446 HydrophobicContact CG2-CZ 3.71Å; K444-F446 HydrophobicContact CB-CE2 3.99Å; K444-F446 HydrophobicContact CB-CZ 4.05Å; K444-F446 WeakPolarHBondContact O-CE2 3.44Å; F446-V454 HydrophobicContact CD1-CG1 4.27Å; F446-V454 HydrophobicContact CD1-CG2 3.83Å; F446-V454 HydrophobicContact CE1-CB 4.26Å; F446-V454 HydrophobicContact CE1-CG1 3.72Å; F446-V454 HydrophobicContact CE1-CG2 3.59Å; F446-V454 HydrophobicContact CZ-CG1 3.94Å
447	P	96.2	Very high	91.8	Very high	23 Å²	23	46.7 Å²	46.7	15%	0.149	26%	0.258	C	S	.	.			trans	-72.4	143.8	-174.4	-12.9	26.9	0	0	0	112.2	F445 A450 T453 I455	F445-P447 HydrophobicContact CD1-CB 4.47Å; F445-P447 HydrophobicContact CD1-CG 3.82Å; F445-P447 HydrophobicContact CE1-CB 3.89Å; F445-P447 HydrophobicContact CE1-CG 3.72Å; F445-P447 HydrophobicContact CZ-CB 4.48Å; P447-A450 HydrophobicContact CB-CB 3.9Å; P447-A450 HydrophobicContact CG-CB 4.31Å; P447-T453 VanDerWaalsContact CD-O 3.28Å; P447-T453 WeakPolarHBondContact CD-O 3.47Å; P447-I455 HydrophobicContact CG-CD1 3.74Å; P447-I455 HydrophobicContact CG-CG1 4.21Å
448	A	95.4	Very high	92.2	Very high	24 Å²	24	47.2 Å²	47.2	20%	0.198	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	142.8	172.1	0	0	0	0	0	110.6	K386 N387 A450	K386-A448 WeakPolarHBondContact O-CA 3.4Å; K386-A448 PolarHBondContact O-N 2.96Å; N387-A448 WeakPolarHBondContact OD1-CB 3.19Å; N387-A448 PolarHBondContact OD1-N 2.97Å; A448-A450 PolarHBondContact O-N 3.23Å; A448-A450 VanDerWaalsContact O-N 3.14Å
449	S	92.3	Very high	92.9	Very high	104 Å²	104	43 Å²	43	73%	0.727	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	28.8	174.3	-54.1	0	0	0	0	114.5	E384	E384-S449 PolarHBondContact O-N 2.96Å; E384-S449 PolarHBondContact O-OG 3.07Å; E384-S449 VanDerWaalsContact O-OG 3.13Å
450	A	90.6	Very high	93.3	Very high	29 Å²	29	47.3 Å²	47.3	24%	0.24	26%	0.262	C	S	.	.	S	Bend	trans	-117.2	35.9	177.5	0	0	0	0	0	111.7	P447 A448 R452 T453	P447-A450 HydrophobicContact CB-CB 3.9Å; P447-A450 HydrophobicContact CG-CB 4.31Å; A448-A450 PolarHBondContact O-N 3.23Å; A448-A450 VanDerWaalsContact O-N 3.14Å; A450-R452 PolarHBondContact O-N 3.36Å; A450-R452 VanDerWaalsContact O-N 3.14Å; A450-T453 VanDerWaalsContact O-CB 3.23Å; A450-T453 WeakPolarHBondContact O-CB 3.44Å; A450-T453 PolarHBondContact O-N 3.23Å; A450-T453 PolarHBondContact O-OG1 3.1Å
451	D	88.3	Confident	93.7	Very high	141 Å²	141	49.7 Å²	49.7	75%	0.754	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	-115	-172.1	-63.5	-44.6	0	0	0	111.2
452	R	91.1	Very high	93.7	Very high	129 Å²	129	52.3 Å²	52.3	49%	0.487	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	28	178.2	-59.8	-179.7	63.5	83.5	-3	112.2	E378 F382 A450 V454	E378-R452 IonicContact OE1-CZ 2.69Å; E378-R452 IonicContact OE1-NH1 2.67Å; E378-R452 PolarHBondContact OE1-NH1 2.82Å; E378-R452 IonicContact OE1-NH2 3.57Å; E378-R452 PolarHBondContact OE1-NH2 3.38Å; E378-R452 IonicContact OE2-NH2 3.09Å; F382-R452 HydrophobicContact CD1-CB 4.05Å; F382-R452 HydrophobicContact CD1-CG 4.1Å; F382-R452 HydrophobicContact CE1-CB 3.75Å; F382-R452 HydrophobicContact CE1-CG 4.23Å; A450-R452 PolarHBondContact O-N 3.36Å; A450-R452 VanDerWaalsContact O-N 3.14Å; R452-V454 PolarHBondContact O-N 3.47Å
453	T	92.7	Very high	93.8	Very high	72 Å²	72	52.9 Å²	52.9	44%	0.442	29%	0.287	S	S	.	.			trans	-60.5	135.9	177.5	-58	0	0	0	0	109.8	P447 A450 I455	P447-T453 VanDerWaalsContact CD-O 3.28Å; P447-T453 WeakPolarHBondContact CD-O 3.47Å; A450-T453 VanDerWaalsContact O-CB 3.23Å; A450-T453 WeakPolarHBondContact O-CB 3.44Å; A450-T453 PolarHBondContact O-N 3.23Å; A450-T453 PolarHBondContact O-OG1 3.1Å; T453-I455 HydrophobicContact CG2-CG1 4.14Å
454	V	94.3	Very high	93.7	Very high	49 Å²	49	57.8 Å²	57.8	30%	0.297	31%	0.313	S	S	.	.			trans	-124.3	132.8	174.3	-171.4	0	0	0	0	107.2	F382 K444 F445 F446 R452	F382-V454 HydrophobicContact CE1-CG2 4.22Å; F382-V454 HydrophobicContact CZ-CG2 4.2Å; K444-V454 HydrophobicContact CB-CG1 3.85Å; K444-V454 HydrophobicContact CD-CG1 3.72Å; K444-V454 HydrophobicContact CG-CG1 4.34Å; F445-V454 WeakPolarHBondContact O-CA 3.13Å; F446-V454 HydrophobicContact CD1-CG1 4.27Å; F446-V454 HydrophobicContact CD1-CG2 3.83Å; F446-V454 HydrophobicContact CE1-CB 4.26Å; F446-V454 HydrophobicContact CE1-CG1 3.72Å; F446-V454 HydrophobicContact CE1-CG2 3.59Å; F446-V454 HydrophobicContact CZ-CG1 3.94Å; R452-V454 PolarHBondContact O-N 3.47Å
455	I	94	Very high	93.6	Very high	37 Å²	37	57.1 Å²	57.1	19%	0.19	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124	-179.4	-54.6	179.7	0	0	0	108.1	K444 F445 P447 T453 F469 A478	K444-I455 WeakPolarHBondContact CA-O 3.21Å; F445-I455 HydrophobicContact CB-CB 4.37Å; F445-I455 HydrophobicContact CD1-CD1 4.25Å; F445-I455 PolarHBondContact N-O 3.2Å; F445-I455 PolarHBondContact O-N 3.16Å; P447-I455 HydrophobicContact CG-CD1 3.74Å; P447-I455 HydrophobicContact CG-CG1 4.21Å; T453-I455 HydrophobicContact CG2-CG1 4.14Å; I455-F469 HydrophobicContact CG2-CE2 4.18Å; I455-F469 HydrophobicContact CG2-CZ 4.03Å; I455-A478 HydrophobicContact CG2-CB 3.68Å
456	D	93.2	Very high	93.7	Very high	33 Å²	33	57.1 Å²	57.1	18%	0.176	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	138.8	177	-72.8	5.3	0	0	0	110.2	K444	K444-D456 WeakPolarHBondContact CD-OD1 3.49Å; K444-D456 VanDerWaalsContact CE-OD1 3.23Å; K444-D456 WeakPolarHBondContact CE-OD1 3.22Å; K444-D456 VanDerWaalsContact CG-OD1 3.29Å; K444-D456 WeakPolarHBondContact CG-OD1 3.2Å; K444-D456 IonicContact NZ-OD1 3.57Å; K444-D456 PolarHBondContact NZ-OD1 2.66Å; K444-D456 IonicContact NZ-OD2 3.53Å; K444-D456 PolarHBondContact NZ-OD2 3.17Å
457	Y	94.7	Very high	93.6	Very high	14 Å²	14	59.7 Å²	59.7	6%	0.055	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-98.4	108.2	176.5	179.4	-91.1	0	0	0	110.1	F389 L443 G459 E460 G465 F466 F469	F389-Y457 HydrophobicContact CE2-CG 4.28Å; F389-Y457 HydrophobicContact CZ-CD1 4.3Å; F389-Y457 AromaticContact CZ-CD2 3.85Å; F389-Y457 HydrophobicContact CZ-CD2 3.85Å; F389-Y457 AromaticContact CZ-CG 3.68Å; F389-Y457 HydrophobicContact CZ-CG 3.68Å; L443-Y457 HydrophobicContact CB-CD1 4.3Å; L443-Y457 HydrophobicContact CB-CG 4.5Å; L443-Y457 HydrophobicContact CD1-CD1 3.79Å; L443-Y457 HydrophobicContact CD1-CE1 4.33Å; L443-Y457 PolarHBondContact O-N 2.79Å; Y457-G459 VanDerWaalsContact CE1-C 3.46Å; Y457-G459 WeakPolarHBondContact CE1-O 3.45Å; Y457-E460 PolarHBondContact OH-O 3.37Å; Y457-G465 VanDerWaalsContact OH-C 3.29Å; Y457-F466 HydrophobicContact CD1-CD1 4.34Å; Y457-F466 AromaticContact CD1-CE1 3.94Å; Y457-F466 HydrophobicContact CD1-CE1 3.94Å; Y457-F466 AromaticContact CE1-CD1 3.71Å; Y457-F466 HydrophobicContact CE1-CD1 3.71Å; Y457-F466 AromaticContact CE1-CE1 3.36Å; Y457-F466 HydrophobicContact CE1-CE1 3.36Å; Y457-F466 HydrophobicContact CE2-CD1 4.12Å; Y457-F466 AromaticContact CZ-CD1 3.56Å; Y457-F466 AromaticContact CZ-CE1 3.73Å; Y457-F469 HydrophobicContact CD2-CB 3.98Å; Y457-F469 AromaticContact CD2-CD1 3.74Å; Y457-F469 HydrophobicContact CD2-CD1 3.74Å; Y457-F469 AromaticContact CD2-CD2 3.59Å; Y457-F469 HydrophobicContact CD2-CD2 3.59Å; Y457-F469 HydrophobicContact CD2-CE1 4.06Å; Y457-F469 AromaticContact CD2-CE2 3.92Å; Y457-F469 HydrophobicContact CD2-CE2 3.92Å; Y457-F469 AromaticContact CD2-CG 3.49Å; Y457-F469 HydrophobicContact CD2-CG 3.49Å; Y457-F469 VanDerWaalsContact CD2-CG 3.49Å; Y457-F469 HydrophobicContact CD2-CZ 4.14Å; Y457-F469 HydrophobicContact CE2-CB 3.62Å; Y457-F469 HydrophobicContact CE2-CD1 4.21Å; Y457-F469 AromaticContact CE2-CD2 3.99Å; Y457-F469 HydrophobicContact CE2-CD2 3.99Å; Y457-F469 AromaticContact CE2-CG 3.69Å; Y457-F469 HydrophobicContact CE2-CG 3.69Å
458	N	90	Very high	93.6	Very high	49 Å²	49	64.7 Å²	64.7	26%	0.262	35%	0.345	S	S	.	.			trans	-108.5	8.2	179	-62.7	-18.6	0	0	0	112.1	G477 G479	N458-G477 PolarHBondContact N-O 2.92Å; N458-G479 WeakPolarHBondContact ND2-CA 3.5Å
459	G	90.9	Very high	93.7	Very high	28 Å²	28	63.5 Å²	63.5	29%	0.289	34%	0.335	S	S	.	.	S	Bend	trans	-77	-178.9	178.3	0	0	0	0	0	114.6	Y457 R461 G477	Y457-G459 VanDerWaalsContact CE1-C 3.46Å; Y457-G459 WeakPolarHBondContact CE1-O 3.45Å; G459-R461 PolarHBondContact O-N 3.31Å; G459-G477 PolarHBondContact N-O 2.72Å
460	E	91.4	Very high	93.8	Very high	145 Å²	145	59 Å²	59	68%	0.678	30%	0.303	S	S	*	.			trans	-61.5	134.2	178	-65.2	-176.4	-173.2	0	0	112.1	Y457 T462	Y457-E460 PolarHBondContact OH-O 3.37Å; E460-T462 HydrophobicContact CB-CG2 4.31Å; E460-T462 PolarHBondContact O-N 2.88Å
461	R	95.1	Very high	94	Very high	111 Å²	111	64.8 Å²	64.8	42%	0.419	33%	0.325	S	S	.	.	S	Bend	trans	-79.3	53	-179.6	-62.7	-179.4	-176.5	168.3	-2	112.7	L403 P441 G459 F466	L403-R461 HydrophobicContact CD1-CB 4.3Å; P441-R461 PolarHBondContact O-NH2 3.43Å; G459-R461 PolarHBondContact O-N 3.31Å; R461-F466 HydrophobicContact CB-CZ 4.2Å
462	T	95.6	Very high	94.2	Very high	56 Å²	56	60.1 Å²	60.1	34%	0.344	30%	0.304	S	S	.	.	S	Bend	trans	-121.7	156.6	-178.9	70.3	0	0	0	0	111.2	E460 D464 G465 F466	E460-T462 HydrophobicContact CB-CG2 4.31Å; E460-T462 PolarHBondContact O-N 2.88Å; T462-D464 PolarHBondContact O-N 2.77Å; T462-G465 PolarHBondContact O-N 3.35Å; T462-G465 PolarHBondContact OG1-N 2.79Å; T462-F466 WeakPolarHBondContact O-CD2 3.49Å; T462-F466 VanDerWaalsContact O-CG 3.3Å; T462-F466 WeakPolarHBondContact O-CG 3.42Å; T462-F466 PolarHBondContact O-N 3.22Å
463	L	96	Very high	94.2	Very high	30 Å²	30	55.8 Å²	55.8	16%	0.157	30%	0.299	C	S	.	.	H	α-helix	trans	-57.4	-37.9	178.9	-176.2	64.4	0	0	0	112.4	I406 K409 L410 K467	I406-L463 HydrophobicContact CG2-CB 4.17Å; K409-L463 HydrophobicContact CD-CD2 3.95Å; K409-L463 HydrophobicContact CG-CD2 4Å; L410-L463 HydrophobicContact CB-CD1 3.94Å; L410-L463 HydrophobicContact CD1-CD1 3.91Å; L463-K467 HydrophobicContact CG-CD 4.49Å; L463-K467 VanDerWaalsContact O-CG 3.32Å; L463-K467 WeakPolarHBondContact O-CG 3.36Å; L463-K467 PolarHBondContact O-N 2.83Å; L463-K467 VanDerWaalsContact O-N 3.11Å
464	D	95.4	Very high	93.9	Very high	108 Å²	108	52.4 Å²	52.4	58%	0.578	28%	0.278	S	S	*	.	H	α-helix	trans	-73.2	-37.6	179.9	-74.1	-11.1	0	0	0	111.8	T462 K467 K468	T462-D464 PolarHBondContact O-N 2.77Å; D464-K467 PolarHBondContact O-N 2.71Å; D464-K468 WeakPolarHBondContact O-CG 3.42Å; D464-K468 PolarHBondContact O-N 3.4Å
465	G	95.6	Very high	93.3	Very high	14 Å²	14	58.1 Å²	58.1	14%	0.144	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-50.5	172.4	0	0	0	0	0	111.6	Y457 T462 K467 K468 F469	Y457-G465 VanDerWaalsContact OH-C 3.29Å; T462-G465 PolarHBondContact O-N 3.35Å; T462-G465 PolarHBondContact OG1-N 2.79Å; G465-K467 VanDerWaalsContact C-N 3.32Å; G465-K467 PolarHBondContact O-N 3.07Å; G465-K468 PolarHBondContact O-N 3.32Å; G465-F469 PolarHBondContact O-N 3.04Å
466	F	97.5	Very high	92.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.8	-39.1	177.9	-58.9	-40.6	0	0	0	113.2	F389 L403 I406 W407 L410 L443 Y457 R461 T462 L470	F389-F466 HydrophobicContact CE1-CB 4.36Å; F389-F466 AromaticContact CE1-CD1 3.81Å; F389-F466 HydrophobicContact CE1-CD1 3.81Å; F389-F466 HydrophobicContact CE1-CG 4.33Å; F389-F466 HydrophobicContact CZ-CD1 4.18Å; L403-F466 HydrophobicContact CD1-CE2 3.83Å; L403-F466 HydrophobicContact CD1-CZ 3.71Å; I406-F466 HydrophobicContact CG2-CD2 4.13Å; I406-F466 HydrophobicContact CG2-CE2 3.74Å; W407-F466 HydrophobicContact CE3-CD2 4.45Å; W407-F466 HydrophobicContact CE3-CE2 4.07Å; W407-F466 HydrophobicContact CE3-CZ 4.18Å; W407-F466 HydrophobicContact CZ3-CD1 4.32Å; W407-F466 HydrophobicContact CZ3-CD2 4.47Å; W407-F466 HydrophobicContact CZ3-CE1 4.09Å; W407-F466 HydrophobicContact CZ3-CE2 4.26Å; W407-F466 HydrophobicContact CZ3-CZ 4.07Å; L410-F466 HydrophobicContact CD1-CB 3.75Å; L410-F466 HydrophobicContact CD2-CB 3.72Å; L410-F466 HydrophobicContact CD2-CD2 3.96Å; L410-F466 HydrophobicContact CD2-CG 3.95Å; L410-F466 HydrophobicContact CG-CB 4.36Å; L443-F466 HydrophobicContact CD1-CE1 3.61Å; L443-F466 HydrophobicContact CD1-CZ 3.94Å; Y457-F466 HydrophobicContact CD1-CD1 4.34Å; Y457-F466 AromaticContact CD1-CE1 3.94Å; Y457-F466 HydrophobicContact CD1-CE1 3.94Å; Y457-F466 AromaticContact CE1-CD1 3.71Å; Y457-F466 HydrophobicContact CE1-CD1 3.71Å; Y457-F466 AromaticContact CE1-CE1 3.36Å; Y457-F466 HydrophobicContact CE1-CE1 3.36Å; Y457-F466 HydrophobicContact CE2-CD1 4.12Å; Y457-F466 AromaticContact CZ-CD1 3.56Å; Y457-F466 AromaticContact CZ-CE1 3.73Å; R461-F466 HydrophobicContact CB-CZ 4.2Å; T462-F466 WeakPolarHBondContact O-CD2 3.49Å; T462-F466 VanDerWaalsContact O-CG 3.3Å; T462-F466 WeakPolarHBondContact O-CG 3.42Å; T462-F466 PolarHBondContact O-N 3.22Å; F466-L470 WeakPolarHBondContact O-CB 3.46Å; F466-L470 WeakPolarHBondContact O-CG 3.4Å; F466-L470 PolarHBondContact O-N 3.33Å
467	K	96.6	Very high	91.1	Very high	58 Å²	58	60.7 Å²	60.7	25%	0.252	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-49	177	-77.8	175.3	173.2	-173.6	0	112.1	Y414 L463 D464 G465 F469 L470 E471	Y414-K467 HydrophobicContact CE2-CG 4.22Å; L463-K467 HydrophobicContact CG-CD 4.49Å; L463-K467 VanDerWaalsContact O-CG 3.32Å; L463-K467 WeakPolarHBondContact O-CG 3.36Å; L463-K467 PolarHBondContact O-N 2.83Å; L463-K467 VanDerWaalsContact O-N 3.11Å; D464-K467 PolarHBondContact O-N 2.71Å; G465-K467 VanDerWaalsContact C-N 3.32Å; G465-K467 PolarHBondContact O-N 3.07Å; K467-F469 VanDerWaalsContact C-N 3.29Å; K467-F469 PolarHBondContact O-N 3.5Å; K467-L470 PolarHBondContact O-N 3.21Å; K467-E471 VanDerWaalsContact O-CB 3.3Å; K467-E471 WeakPolarHBondContact O-CB 3.44Å; K467-E471 VanDerWaalsContact O-CG 3.25Å; K467-E471 WeakPolarHBondContact O-CG 3.47Å; K467-E471 PolarHBondContact O-N 3.38Å
468	K	95.3	Very high	89.8	Confident	127 Å²	127	62.4 Å²	62.4	55%	0.552	34%	0.338	S	S	*	.	H	α-helix	trans	-57.3	-45.8	177.8	-72.3	176	-177.1	174.8	0	111.3	D464 G465 E471 S472	D464-K468 WeakPolarHBondContact O-CG 3.42Å; D464-K468 PolarHBondContact O-N 3.4Å; G465-K468 PolarHBondContact O-N 3.32Å; K468-E471 PolarHBondContact O-N 3.48Å; K468-S472 WeakPolarHBondContact O-CB 3.38Å; K468-S472 PolarHBondContact O-N 2.95Å; K468-S472 PolarHBondContact O-OG 3.24Å
469	F	96.7	Very high	88.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.1	-50.4	178.1	177.8	-98.6	0	0	0	112.1	F389 F445 I455 Y457 G465 K467 S472 G473 G474 D476	F389-F469 HydrophobicContact CD2-CE1 4.39Å; F389-F469 HydrophobicContact CE1-CD1 4.11Å; F389-F469 HydrophobicContact CE1-CE1 4.4Å; F389-F469 HydrophobicContact CE2-CD1 4.47Å; F389-F469 AromaticContact CE2-CE1 3.99Å; F389-F469 HydrophobicContact CE2-CE1 3.99Å; F389-F469 HydrophobicContact CZ-CD1 4.02Å; F389-F469 AromaticContact CZ-CE1 3.99Å; F389-F469 HydrophobicContact CZ-CE1 3.99Å; F445-F469 HydrophobicContact CB-CE1 3.56Å; F445-F469 HydrophobicContact CB-CZ 3.75Å; F445-F469 HydrophobicContact CD1-CE1 4.06Å; F445-F469 HydrophobicContact CD1-CZ 4.18Å; F445-F469 HydrophobicContact CD2-CE1 4.31Å; F445-F469 AromaticContact CG-CE1 3.73Å; F445-F469 HydrophobicContact CG-CE1 3.73Å; F445-F469 HydrophobicContact CG-CZ 4.14Å; I455-F469 HydrophobicContact CG2-CE2 4.18Å; I455-F469 HydrophobicContact CG2-CZ 4.03Å; Y457-F469 HydrophobicContact CD2-CB 3.98Å; Y457-F469 AromaticContact CD2-CD1 3.74Å; Y457-F469 HydrophobicContact CD2-CD1 3.74Å; Y457-F469 AromaticContact CD2-CD2 3.59Å; Y457-F469 HydrophobicContact CD2-CD2 3.59Å; Y457-F469 HydrophobicContact CD2-CE1 4.06Å; Y457-F469 AromaticContact CD2-CE2 3.92Å; Y457-F469 HydrophobicContact CD2-CE2 3.92Å; Y457-F469 AromaticContact CD2-CG 3.49Å; Y457-F469 HydrophobicContact CD2-CG 3.49Å; Y457-F469 VanDerWaalsContact CD2-CG 3.49Å; Y457-F469 HydrophobicContact CD2-CZ 4.14Å; Y457-F469 HydrophobicContact CE2-CB 3.62Å; Y457-F469 HydrophobicContact CE2-CD1 4.21Å; Y457-F469 AromaticContact CE2-CD2 3.99Å; Y457-F469 HydrophobicContact CE2-CD2 3.99Å; Y457-F469 AromaticContact CE2-CG 3.69Å; Y457-F469 HydrophobicContact CE2-CG 3.69Å; G465-F469 PolarHBondContact O-N 3.04Å; K467-F469 VanDerWaalsContact C-N 3.29Å; K467-F469 PolarHBondContact O-N 3.5Å; F469-S472 PolarHBondContact O-N 2.87Å; F469-S472 PolarHBondContact O-OG 2.89Å; F469-G473 PolarHBondContact O-N 3Å; F469-G474 VanDerWaalsContact CE2-CA 3.45Å; F469-G474 WeakPolarHBondContact CE2-O 3.46Å; F469-G474 PolarHBondContact O-N 3.47Å; F469-D476 VanDerWaalsContact CA-O 3.28Å; F469-D476 WeakPolarHBondContact CA-O 3.44Å; F469-D476 VanDerWaalsContact CB-O 3.3Å; F469-D476 WeakPolarHBondContact CB-O 3.41Å; F469-D476 VanDerWaalsContact CD2-O 3.27Å; F469-D476 WeakPolarHBondContact CD2-O 3.46Å
470	L	96	Very high	86.1	Confident	9 Å²	9	66.2 Å²	66.2	5%	0.047	36%	0.358	C	S	.	.	H	α-helix	trans	-63.4	-43.4	178.1	-73.3	169	0	0	0	112.9	F389 L410 Y414 I420 I422 F445 F466 K467 S472 G473	F389-L470 HydrophobicContact CB-CD2 4.02Å; F389-L470 HydrophobicContact CD1-CD1 4.18Å; F389-L470 HydrophobicContact CD1-CD2 3.97Å; F389-L470 HydrophobicContact CD1-CG 4.11Å; F389-L470 HydrophobicContact CG-CD2 4.25Å; L410-L470 HydrophobicContact CD1-CD1 4.07Å; L410-L470 HydrophobicContact CD2-CD1 4.38Å; Y414-L470 HydrophobicContact CD2-CD1 3.96Å; Y414-L470 HydrophobicContact CE2-CD1 3.53Å; I420-L470 HydrophobicContact CD1-CB 4.41Å; I420-L470 HydrophobicContact CG2-CD1 4.44Å; I420-L470 HydrophobicContact CG2-CD2 4.36Å; I422-L470 HydrophobicContact CD1-CD1 3.9Å; F445-L470 HydrophobicContact CD2-CD2 4.07Å; F445-L470 HydrophobicContact CE2-CD2 3.68Å; F445-L470 HydrophobicContact CZ-CD2 4.43Å; F466-L470 WeakPolarHBondContact O-CB 3.46Å; F466-L470 WeakPolarHBondContact O-CG 3.4Å; F466-L470 PolarHBondContact O-N 3.33Å; K467-L470 PolarHBondContact O-N 3.21Å; L470-S472 PolarHBondContact O-N 3.38Å; L470-G473 PolarHBondContact O-N 3.37Å
471	E	93.4	Very high	83.9	Confident	151 Å²	151	65.4 Å²	65.4	71%	0.706	36%	0.358	S	S	*	.	H	α-helix	trans	-66.7	-26.2	178.9	-71.6	176.5	-165	0	0	112.4	K467 K468 G473	K467-E471 VanDerWaalsContact O-CB 3.3Å; K467-E471 WeakPolarHBondContact O-CB 3.44Å; K467-E471 VanDerWaalsContact O-CG 3.25Å; K467-E471 WeakPolarHBondContact O-CG 3.47Å; K467-E471 PolarHBondContact O-N 3.38Å; K468-E471 PolarHBondContact O-N 3.48Å; E471-G473 VanDerWaalsContact C-N 3.31Å
472	S	93.1	Very high	81.1	Confident	43 Å²	43	67 Å²	67	30%	0.301	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-5.9	173.1	78	0	0	0	0	114	K468 F469 L470 G474 Q475 D476	K468-S472 WeakPolarHBondContact O-CB 3.38Å; K468-S472 PolarHBondContact O-N 2.95Å; K468-S472 PolarHBondContact O-OG 3.24Å; F469-S472 PolarHBondContact O-N 2.87Å; F469-S472 PolarHBondContact O-OG 2.89Å; L470-S472 PolarHBondContact O-N 3.38Å; S472-G474 VanDerWaalsContact C-N 3.34Å; S472-G474 PolarHBondContact OG-N 3.36Å; S472-Q475 PolarHBondContact OG-N 3.41Å; S472-D476 PolarHBondContact OG-N 3.2Å
473	G	90.3	Very high	78.5	Confident	38 Å²	38	68.4 Å²	68.4	39%	0.392	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	28.7	-172.4	0	0	0	0	0	113.5	F469 L470 E471	F469-G473 PolarHBondContact O-N 3Å; L470-G473 PolarHBondContact O-N 3.37Å; E471-G473 VanDerWaalsContact C-N 3.31Å
474	G	86.2	Confident	75.8	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.01	40%	0.395	C	S	.	.	S	Bend	trans	86.5	15.7	179.1	0	0	0	0	0	115.4	F469 S472	F469-G474 VanDerWaalsContact CE2-CA 3.45Å; F469-G474 WeakPolarHBondContact CE2-O 3.46Å; F469-G474 PolarHBondContact O-N 3.47Å; S472-G474 VanDerWaalsContact C-N 3.34Å; S472-G474 PolarHBondContact OG-N 3.36Å
475	Q	81.7	Confident	73	Confident	168 Å²	168	74 Å²	74	79%	0.785	41%	0.405	S	S	*	.			trans	-88.8	-34	-179.7	-65.8	-108.1	-31.2	0	0	112.9	S472	S472-Q475 PolarHBondContact OG-N 3.41Å
476	D	72.4	Confident	70.1	Confident	102 Å²	102	79.5 Å²	79.5	55%	0.545	43%	0.431	S	S	.	.	S	Bend	trans	-101.4	96.6	-174.5	-166.5	9.1	0	0	0	110.6	F469 S472	F469-D476 VanDerWaalsContact CA-O 3.28Å; F469-D476 WeakPolarHBondContact CA-O 3.44Å; F469-D476 VanDerWaalsContact CB-O 3.3Å; F469-D476 WeakPolarHBondContact CB-O 3.41Å; F469-D476 VanDerWaalsContact CD2-O 3.27Å; F469-D476 WeakPolarHBondContact CD2-O 3.46Å; S472-D476 PolarHBondContact OG-N 3.2Å
477	G	69.6	Low	67.2	Low	22 Å²	22	85 Å²	85	23%	0.227	46%	0.459	C	S	.	.	S	Bend	trans	117.3	1.1	-173.3	0	0	0	0	0	114.9	N458 G459	N458-G477 PolarHBondContact N-O 2.92Å; G459-G477 PolarHBondContact N-O 2.72Å
478	A	67.8	Low	64.4	Low	51 Å²	51	90.9 Å²	90.9	42%	0.421	49%	0.488	S	S	.	.	B	Isolated β-bridge	trans	-72.6	124.5	165.2	0	0	0	0	0	109	I455	I455-A478 HydrophobicContact CG2-CB 3.68Å
479	G	55.7	Low	61.4	Low	24 Å²	24	93.5 Å²	93.5	25%	0.247	50%	0.502	C	S	.	.			trans	-106.6	155	170.2	0	0	0	0	0	110.5	N458	N458-G479 WeakPolarHBondContact ND2-CA 3.5Å
480	D	45.9	Very low	58.3	Low	133 Å²	133	97.5 Å²	97.5	71%	0.711	54%	0.535	S	S	*	.			trans	-70.6	151.6	168	-71.5	-37.2	0	0	0	108.8	D482 D483	D480-D482 PolarHBondContact O-N 3.08Å; D480-D483 PolarHBondContact O-N 3.27Å
481	D	46	Very low	55.2	Low	128 Å²	128	105.8 Å²	105.8	68%	0.684	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-53.4	-16.8	-175.1	-94.6	-31.1	0	0	0	114.4
482	D	37.4	Very low	52.4	Low	144 Å²	144	105.5 Å²	105.5	77%	0.77	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-81.8	-12.7	-174.7	-68.7	-27.9	0	0	0	114.4	D480 L484	D480-D482 PolarHBondContact O-N 3.08Å; D482-L484 VanDerWaalsContact C-N 3.3Å; D482-L484 PolarHBondContact O-N 3.28Å
483	D	39.2	Very low	49.4	Very low	85 Å²	85	108.2 Å²	108.2	46%	0.455	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-83.9	5	-173.2	-71	-26.4	0	0	0	114.6	D480 E485	D480-D483 PolarHBondContact O-N 3.27Å; D483-E485 VanDerWaalsContact C-N 3.26Å; D483-E485 PolarHBondContact O-N 2.8Å
484	L	40.5	Very low	46.8	Very low	88 Å²	88	114.2 Å²	114.2	46%	0.461	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-71.1	-16.9	179	-77.5	168.9	0	0	0	113.8	D482	D482-L484 VanDerWaalsContact C-N 3.3Å; D482-L484 PolarHBondContact O-N 3.28Å
485	E	36.3	Very low	44.3	Very low	169 Å²	169	122.4 Å²	122.4	79%	0.79	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-77	-24	179	-68.7	-169.9	166.7	0	0	113.2	D483	D483-E485 VanDerWaalsContact C-N 3.26Å; D483-E485 PolarHBondContact O-N 2.8Å
486	D	34.3	Very low	42.1	Very low	128 Å²	128	123 Å²	123	68%	0.684	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-92.7	-8.5	-168.6	-77.5	-13.9	0	0	0	114.7
487	L	36	Very low	40.4	Very low	116 Å²	116	127.1 Å²	127.1	61%	0.607	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-91.2	-2.4	-179.4	-71.9	171.8	0	0	0	114.2	E489	L487-E489 PolarHBondContact O-N 3.14Å
488	E	38.8	Very low	38.8	Very low	182 Å²	182	133.5 Å²	133.5	85%	0.85	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-74.2	-9.8	175	-69.4	-165.4	164.2	0	0	113.6
489	E	33.1	Very low	37.2	Very low	182 Å²	182	137.6 Å²	137.6	85%	0.85	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-93.2	-1.6	-175.4	-68.1	-165.2	159.3	0	0	115.5	L487 E491	L487-E489 PolarHBondContact O-N 3.14Å; E489-E491 PolarHBondContact O-N 3.31Å
490	A	30.3	Very low	36.2	Very low	84 Å²	84	142.5 Å²	142.5	69%	0.694	74%	0.735	S	S	*	*	S	Bend	trans	-93.2	88.7	-177.9	0	0	0	0	0	112.9
491	E	31.3	Very low	35.7	Very low	183 Å²	183	144 Å²	144	86%	0.855	74%	0.738	S	S	*	*			trans	25.2	100.2	154.7	-63.1	-176.6	168.4	0	0	116.9	E489 P493	E489-E491 PolarHBondContact O-N 3.31Å; E491-P493 WeakPolarHBondContact O-CD 3Å
492	E	33.9	Very low	35.1	Very low	144 Å²	144	146 Å²	146	67%	0.673	74%	0.741	S	S	*	*			trans	-63.4	121.7	161.8	-74.9	-176.1	-154.6	0	0	109.4	R97	R97-E492 IonicContact CZ-OE1 2.78Å; R97-E492 IonicContact NH1-OE1 3.45Å; R97-E492 PolarHBondContact NH1-OE1 3.02Å; R97-E492 IonicContact NH1-OE2 3.67Å; R97-E492 PolarHBondContact NH1-OE2 2.87Å; R97-E492 IonicContact NH2-OE1 2.76Å
493	P	31.6	Very low	35	Very low	100 Å²	100	143.7 Å²	143.7	65%	0.649	74%	0.741	S	S	*	*			trans	-79	127.2	169.2	29.6	-26.7	0	0	0	109.6	E491 M495	E491-P493 WeakPolarHBondContact O-CD 3Å; P493-M495 PolarHBondContact O-N 3.16Å
494	D	34.4	Very low	34.8	Very low	164 Å²	164	145.4 Å²	145.4	88%	0.877	76%	0.755	S	S	*	*			trans	-41.9	121.2	175.9	-65.9	-47.8	0	0	0	112.5
495	M	35.3	Very low	34.7	Very low	173 Å²	173	150.4 Å²	150.4	85%	0.852	77%	0.773	S	S	*	*			trans	-111.5	103.5	160.1	-72.4	-157.7	-56.6	0	0	108.8	P493 E497	P493-M495 PolarHBondContact O-N 3.16Å; M495-E497 PolarHBondContact O-N 3.36Å
496	E	34.6	Very low	35	Very low	180 Å²	180	149.6 Å²	149.6	84%	0.841	77%	0.773	S	S	*	*			trans	-55.2	124.7	161.2	-66.6	-178.6	153.8	0	0	108.7	D498	E496-D498 PolarHBondContact O-N 2.77Å; E496-D498 VanDerWaalsContact O-N 3.11Å
497	E	37.3	Very low	35.3	Very low	190 Å²	190	152.5 Å²	152.5	89%	0.888	78%	0.783	S	S	*	*			trans	-68.5	103.9	165.2	-73.9	-173.7	157.3	0	0	108.1	M495 D499	M495-E497 PolarHBondContact O-N 3.36Å; E497-D499 PolarHBondContact O-N 2.95Å
498	D	34.8	Very low	35.7	Very low	155 Å²	155	158.7 Å²	158.7	83%	0.829	82%	0.815	S	S	*	*			trans	-63.8	96.8	167.9	-107.2	-24.6	0	0	0	109	E496 D500	E496-D498 PolarHBondContact O-N 2.77Å; E496-D498 VanDerWaalsContact O-N 3.11Å; D498-D500 VanDerWaalsContact C-N 3.27Å; D498-D500 PolarHBondContact O-N 3.29Å
499	D	34.6	Very low	35.5	Very low	137 Å²	137	157.5 Å²	157.5	73%	0.733	81%	0.813	S	S	*	*			trans	-78.4	77.4	173.9	-143.6	8.1	0	0	0	108.9	E497 Q501	E497-D499 PolarHBondContact O-N 2.95Å; D499-Q501 PolarHBondContact O-N 2.89Å
500	D	35	Very low	35.7	Very low	128 Å²	128	156.2 Å²	156.2	68%	0.684	81%	0.812	S	S	*	*			trans	-79.1	66.3	-177.7	-145	14.1	0	0	0	110.6	D498 K502	D498-D500 VanDerWaalsContact C-N 3.27Å; D498-D500 PolarHBondContact O-N 3.29Å; D500-K502 VanDerWaalsContact C-N 3.3Å; D500-K502 PolarHBondContact O-N 2.9Å
501	Q	35.3	Very low	36	Very low	165 Å²	165	160.2 Å²	160.2	77%	0.771	82%	0.818	S	S	*	*			trans	-73.2	86.4	162.7	-77.8	-174.8	33.1	0	0	109.5	D499 A503	D499-Q501 PolarHBondContact O-N 2.89Å; Q501-A503 PolarHBondContact O-N 3.41Å
502	K	34.2	Very low	36.2	Very low	170 Å²	170	158.9 Å²	158.9	74%	0.739	82%	0.816	S	S	*	*			trans	-62.9	99.7	162.1	-84.1	177.4	-178	162.6	0	110.1	D500 V504	D500-K502 VanDerWaalsContact C-N 3.3Å; D500-K502 PolarHBondContact O-N 2.9Å; K502-V504 PolarHBondContact O-N 3.49Å
503	A	34.6	Very low	36.4	Very low	94 Å²	94	159.8 Å²	159.8	78%	0.777	83%	0.825	S	S	*	*			trans	-58.6	104.8	159.1	0	0	0	0	0	109.4	Q501 K505	Q501-A503 PolarHBondContact O-N 3.41Å; A503-K505 PolarHBondContact O-N 2.9Å; A503-K505 VanDerWaalsContact O-N 3.1Å
504	V	35.6	Very low	36.7	Very low	122 Å²	122	163.8 Å²	163.8	74%	0.739	84%	0.837	S	S	*	*			trans	-64.9	104.1	161.9	177.7	0	0	0	0	106.9	K502 D506	K502-V504 PolarHBondContact O-N 3.49Å; V504-D506 PolarHBondContact O-N 2.91Å
505	K	36.7	Very low	36.9	Very low	193 Å²	193	163.8 Å²	163.8	84%	0.839	83%	0.834	S	S	*	*			trans	-76.3	108.4	161.2	-89.2	-177.8	172.6	178.6	0	107.6	A503 E507	A503-K505 PolarHBondContact O-N 2.9Å; A503-K505 VanDerWaalsContact O-N 3.1Å; K505-E507 PolarHBondContact O-N 2.67Å
506	D	44.1	Very low	37	Very low	151 Å²	151	163.1 Å²	163.1	81%	0.807	83%	0.832	S	S	*	*			trans	-68.2	113	159.1	-80	-26.6	0	0	0	108.7	V504	V504-D506 PolarHBondContact O-N 2.91Å
507	E	39.6	Very low	37.2	Very low	190 Å²	190	161.7 Å²	161.7	89%	0.888	83%	0.831	S	S	*	*			trans	-94.9	104.5	153.2	-77.5	-172.1	162.3	0	0	107.6	K505	K505-E507 PolarHBondContact O-N 2.67Å
508	L	44.4	Very low	37.2	Very low	245 Å²	245	159.1 Å²	159.1	100%	1.283	83%	0.826	S	S	*	*			trans	-148.5	0	155.3	-97.1	172.9	0	0	0	110

Retrieved 508 of 508 residues in 150.3 ms (Link to these results)

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