A0A5K4EZI5_SCHMA Loading...

Ribonucleases P/MRP protein subunit POP1

AlphaFold DB , UniProt , Accession A0A5K4EZI5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 788 aa.

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(Predicted Aligned Error values between residue pairs)

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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	38.4	Very low	50.5	Low	222 Å²	222	137.5 Å²	137.5	100%	1.094	71%	0.711	S	S	*	*				0	73.4	0	-74.4	-167.1	178	0	0	108	F3	M1-F3 PolarHBondContact O-N 3.02Å
2	N	44.3	Very low	50.7	Low	157 Å²	157	132.9 Å²	132.9	84%	0.84	70%	0.7	S	S	*	*			trans	-88.1	104.4	-161.5	-71.7	4.9	0	0	0	110.7	K4	N2-K4 PolarHBondContact O-N 3.43Å
3	F	47.5	Very low	50.7	Low	207 Å²	207	127 Å²	127	91%	0.908	67%	0.673	S	S	*	*			trans	-57.9	106	158.3	-74.4	-87.5	0	0	0	107.4	M1 S5	M1-F3 PolarHBondContact O-N 3.02Å; F3-S5 PolarHBondContact O-N 3.35Å
4	K	45.3	Very low	50.6	Low	171 Å²	171	128.2 Å²	128.2	74%	0.743	67%	0.665	S	S	*	*			trans	-61.1	128.9	173.6	-77	-175.4	172.9	-174.5	0	108.3	N2 D8	N2-K4 PolarHBondContact O-N 3.43Å; K4-D8 HydrophobicContact CB-CB 4.46Å; K4-D8 HydrophobicContact CD-CB 4.47Å
5	S	49.3	Very low	50.7	Low	73 Å²	73	125.6 Å²	125.6	51%	0.51	66%	0.662	S	S	.	*			trans	-60.1	145.9	173.2	41.8	0	0	0	0	109.6	F3 S7 D8	F3-S5 PolarHBondContact O-N 3.35Å; S5-S7 PolarHBondContact O-N 2.99Å; S5-S7 PolarHBondContact OG-OG 3.23Å; S5-D8 PolarHBondContact O-N 3.48Å
6	I	55.1	Low	50.8	Low	137 Å²	137	128.1 Å²	128.1	70%	0.703	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-50.8	-17.2	-179.2	-77	164.4	0	0	0	113.7	D8	I6-D8 PolarHBondContact O-N 2.82Å
7	S	55.2	Low	51	Low	90 Å²	90	131.7 Å²	131.7	63%	0.629	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-62.8	-22.3	172.9	55.4	0	0	0	0	115	S5	S5-S7 PolarHBondContact O-N 2.99Å; S5-S7 PolarHBondContact OG-OG 3.23Å
8	D	58.6	Low	51	Low	96 Å²	96	127.8 Å²	127.8	51%	0.513	66%	0.664	S	S	.	*	G	3₁₀ helix	trans	-99.2	8.4	-167.5	-66.2	7.4	0	0	0	113.4	K4 S5 I6	K4-D8 HydrophobicContact CB-CB 4.46Å; K4-D8 HydrophobicContact CD-CB 4.47Å; S5-D8 PolarHBondContact O-N 3.48Å; I6-D8 PolarHBondContact O-N 2.82Å
9	L	52.5	Low	51.7	Low	100 Å²	100	127.4 Å²	127.4	52%	0.524	67%	0.672	S	S	.	*	S	Bend	trans	-83.9	124.2	175.2	-85.7	152.3	0	0	0	109.7	E11	L9-E11 PolarHBondContact O-N 3.04Å
10	P	53.5	Low	52.5	Low	80 Å²	80	127.3 Å²	127.3	52%	0.519	67%	0.666	S	S	.	*			trans	-59.9	134.2	-177.3	20	-28.8	0	0	0	111.5	S12 T13	P10-S12 PolarHBondContact O-N 2.97Å; P10-T13 PolarHBondContact O-N 3.11Å; P10-T13 PolarHBondContact O-OG1 3.24Å
11	E	55.4	Low	53.8	Low	179 Å²	179	125.8 Å²	125.8	84%	0.836	66%	0.659	S	S	*	*	H	α-helix	trans	-50.7	-29.5	-178.6	-99.2	175.6	161.8	0	0	113.4	L9 T13 Y14	L9-E11 PolarHBondContact O-N 3.04Å; E11-T13 PolarHBondContact O-N 3.41Å; E11-Y14 PolarHBondContact O-N 2.72Å; E11-Y14 VanDerWaalsContact O-N 3.15Å
12	S	52.9	Low	55.7	Low	83 Å²	83	119.9 Å²	119.9	58%	0.58	64%	0.635	S	S	*	*	H	α-helix	trans	-58.5	-33.8	178.3	59.6	0	0	0	0	112.9	P10 Y14 S15	P10-S12 PolarHBondContact O-N 2.97Å; S12-Y14 PolarHBondContact O-N 3.17Å; S12-S15 PolarHBondContact O-N 2.78Å; S12-S15 PolarHBondContact O-OG 3.06Å
13	T	50.6	Low	57.7	Low	56 Å²	56	118.9 Å²	118.9	34%	0.344	63%	0.628	S	S	.	*	H	α-helix	trans	-70.1	-30.1	-179.7	-5.9	0	0	0	0	112.7	P10 E11 S15 Y17	P10-T13 PolarHBondContact O-N 3.11Å; P10-T13 PolarHBondContact O-OG1 3.24Å; E11-T13 PolarHBondContact O-N 3.41Å; T13-S15 VanDerWaalsContact C-N 3.33Å; T13-S15 PolarHBondContact O-N 3Å; T13-Y17 WeakPolarHBondContact O-CD2 3.39Å
14	Y	50.3	Low	59.3	Low	144 Å²	144	117.4 Å²	117.4	57%	0.565	62%	0.617	S	S	*	*	H	α-helix	trans	-69.2	-32	177	-88.7	-82.4	0	0	0	112.3	E11 S12 Q16 A18	E11-Y14 PolarHBondContact O-N 2.72Å; E11-Y14 VanDerWaalsContact O-N 3.15Å; S12-Y14 PolarHBondContact O-N 3.17Å; Y14-Q16 PolarHBondContact O-N 3.18Å; Y14-A18 WeakPolarHBondContact O-CB 3.47Å; Y14-A18 PolarHBondContact O-N 3.21Å; Y14-A18 VanDerWaalsContact O-N 3.11Å
15	S	52.3	Low	61.1	Low	89 Å²	89	113.2 Å²	113.2	62%	0.622	60%	0.602	S	S	*	*	H	α-helix	trans	-67.5	-34	-176.3	74.3	0	0	0	0	113.9	S12 T13	S12-S15 PolarHBondContact O-N 2.78Å; S12-S15 PolarHBondContact O-OG 3.06Å; T13-S15 VanDerWaalsContact C-N 3.33Å; T13-S15 PolarHBondContact O-N 3Å
16	Q	51.7	Low	63	Low	165 Å²	165	112.6 Å²	112.6	77%	0.771	60%	0.602	S	S	*	*	H	α-helix	trans	-81.7	-24.5	-177.9	-79.8	-176	-15.7	0	0	113.7	Y14	Y14-Q16 PolarHBondContact O-N 3.18Å
17	Y	53.4	Low	64.7	Low	190 Å²	190	110.3 Å²	110.3	75%	0.745	59%	0.594	S	S	*	*	H	α-helix	trans	-103.8	-8.7	-178.3	-68.3	-76.7	0	0	0	114.3	T13 C19	T13-Y17 WeakPolarHBondContact O-CD2 3.39Å; Y17-C19 PolarHBondContact O-N 3.04Å
18	A	52.2	Low	66.4	Low	61 Å²	61	110 Å²	110	50%	0.504	59%	0.588	S	S	.	*			trans	-73.7	81.4	171.1	0	0	0	0	0	110	Y14 F20	Y14-A18 WeakPolarHBondContact O-CB 3.47Å; Y14-A18 PolarHBondContact O-N 3.21Å; Y14-A18 VanDerWaalsContact O-N 3.11Å; A18-F20 PolarHBondContact O-N 3.13Å
19	C	63	Low	67.9	Low	121 Å²	121	111.8 Å²	111.8	82%	0.818	59%	0.588	S	S	*	*	S	Bend	trans	-57.9	-11.2	177.7	-158	0	0	0	0	113.1	Y17	Y17-C19 PolarHBondContact O-N 3.04Å
20	F	67.9	Low	69.9	Low	125 Å²	125	108.9 Å²	108.9	55%	0.548	58%	0.582	S	S	.	*	S	Bend	trans	-162.8	144.8	167	45.8	-86.1	0	0	0	109.5	A18 V22 L25	A18-F20 PolarHBondContact O-N 3.13Å; F20-V22 HydrophobicContact CD2-CG2 4.23Å; F20-V22 HydrophobicContact CE2-CG2 4.06Å; F20-V22 PolarHBondContact O-N 3.18Å; F20-L25 HydrophobicContact CD2-CD2 4.34Å; F20-L25 HydrophobicContact CE2-CD2 4.49Å
21	D	79.9	Confident	71.8	Confident	96 Å²	96	108.1 Å²	108.1	51%	0.513	58%	0.583	S	S	.	*			trans	-71.3	109.2	170.1	175.7	-8.5	0	0	0	109.1	L23 R24 L25	D21-L23 VanDerWaalsContact C-N 3.28Å; D21-L23 PolarHBondContact O-N 3.14Å; D21-L23 WeakPolarHBondContact OD1-CA 3.37Å; D21-L23 WeakPolarHBondContact OD1-CB 3.43Å; D21-L23 PolarHBondContact OD1-N 3.41Å; D21-R24 HydrophobicContact CB-CB 3.77Å; D21-R24 VanDerWaalsContact CG-CB 3.47Å; D21-R24 PolarHBondContact O-N 2.87Å; D21-R24 PolarHBondContact OD1-N 2.88Å; D21-R24 WeakPolarHBondContact OD2-CB 3.21Å; D21-L25 WeakPolarHBondContact O-CB 3.5Å; D21-L25 PolarHBondContact O-N 3.17Å
22	V	79	Confident	73.6	Confident	98 Å²	98	102.9 Å²	102.9	59%	0.594	56%	0.558	S	S	*	*	H	α-helix	trans	-61.6	-37.2	-178.8	-180	0	0	0	0	111.3	F20 L25 A26	F20-V22 HydrophobicContact CD2-CG2 4.23Å; F20-V22 HydrophobicContact CE2-CG2 4.06Å; F20-V22 PolarHBondContact O-N 3.18Å; V22-L25 PolarHBondContact O-N 3.19Å; V22-A26 VanDerWaalsContact O-CB 3.22Å; V22-A26 WeakPolarHBondContact O-CB 3.23Å; V22-A26 PolarHBondContact O-N 3.04Å
23	L	85.3	Confident	75.3	Confident	135 Å²	135	104.5 Å²	104.5	71%	0.707	56%	0.56	S	S	*	*	H	α-helix	trans	-67.9	-43.7	178.8	-121.7	93.2	0	0	0	110.3	D21 A26 T27	D21-L23 VanDerWaalsContact C-N 3.28Å; D21-L23 PolarHBondContact O-N 3.14Å; D21-L23 WeakPolarHBondContact OD1-CA 3.37Å; D21-L23 WeakPolarHBondContact OD1-CB 3.43Å; D21-L23 PolarHBondContact OD1-N 3.41Å; L23-A26 PolarHBondContact O-N 3.01Å; L23-T27 WeakPolarHBondContact O-CB 3.4Å; L23-T27 WeakPolarHBondContact O-CG2 3.43Å; L23-T27 PolarHBondContact O-N 2.76Å; L23-T27 PolarHBondContact O-OG1 3.4Å
24	R	83	Confident	77.2	Confident	177 Å²	177	104.6 Å²	104.6	67%	0.668	57%	0.566	S	S	*	*	H	α-helix	trans	-63.9	-42.1	175	-171.6	176.9	179.3	-173.5	0.3	112.2	D21 T27 V28	D21-R24 HydrophobicContact CB-CB 3.77Å; D21-R24 VanDerWaalsContact CG-CB 3.47Å; D21-R24 PolarHBondContact O-N 2.87Å; D21-R24 PolarHBondContact OD1-N 2.88Å; D21-R24 WeakPolarHBondContact OD2-CB 3.21Å; R24-T27 VanDerWaalsContact CA-OG1 3.27Å; R24-T27 WeakPolarHBondContact CA-OG1 3.33Å; R24-T27 PolarHBondContact O-OG1 3.07Å; R24-V28 WeakPolarHBondContact O-CB 3.43Å; R24-V28 VanDerWaalsContact O-CG2 3.24Å; R24-V28 WeakPolarHBondContact O-CG2 3.4Å; R24-V28 PolarHBondContact O-N 3.11Å
25	L	82.6	Confident	79.1	Confident	82 Å²	82	100.8 Å²	100.8	43%	0.429	56%	0.561	S	S	.	*	H	α-helix	trans	-63	-47.4	175.6	-171.8	82.9	0	0	0	110.7	F20 D21 V22 T27 V28 R29	F20-L25 HydrophobicContact CD2-CD2 4.34Å; F20-L25 HydrophobicContact CE2-CD2 4.49Å; D21-L25 WeakPolarHBondContact O-CB 3.5Å; D21-L25 PolarHBondContact O-N 3.17Å; V22-L25 PolarHBondContact O-N 3.19Å; L25-T27 PolarHBondContact O-N 2.91Å; L25-V28 PolarHBondContact O-N 3.09Å; L25-R29 HydrophobicContact CG-CG 4.43Å; L25-R29 WeakPolarHBondContact O-CB 3.5Å; L25-R29 VanDerWaalsContact O-CG 3.24Å; L25-R29 WeakPolarHBondContact O-CG 3.44Å; L25-R29 PolarHBondContact O-N 3.16Å
26	A	88.6	Confident	80.5	Confident	61 Å²	61	101.9 Å²	101.9	50%	0.504	55%	0.554	S	S	.	*	H	α-helix	trans	-63.1	-40.7	-179.7	0	0	0	0	0	112.1	V22 L23 R29 G30	V22-A26 VanDerWaalsContact O-CB 3.22Å; V22-A26 WeakPolarHBondContact O-CB 3.23Å; V22-A26 PolarHBondContact O-N 3.04Å; L23-A26 PolarHBondContact O-N 3.01Å; A26-R29 PolarHBondContact O-N 2.7Å; A26-G30 PolarHBondContact O-N 2.81Å
27	T	90.8	Very high	82.1	Confident	89 Å²	89	100 Å²	100	55%	0.546	55%	0.545	S	S	.	.	H	α-helix	trans	-66.1	-44.8	176.1	45.6	0	0	0	0	112.2	L23 R24 L25 G30 A31	L23-T27 WeakPolarHBondContact O-CB 3.4Å; L23-T27 WeakPolarHBondContact O-CG2 3.43Å; L23-T27 PolarHBondContact O-N 2.76Å; L23-T27 PolarHBondContact O-OG1 3.4Å; R24-T27 VanDerWaalsContact CA-OG1 3.27Å; R24-T27 WeakPolarHBondContact CA-OG1 3.33Å; R24-T27 PolarHBondContact O-OG1 3.07Å; L25-T27 PolarHBondContact O-N 2.91Å; T27-G30 PolarHBondContact O-N 3.01Å; T27-A31 PolarHBondContact O-N 2.94Å
28	V	91	Very high	83.5	Confident	83 Å²	83	93.9 Å²	93.9	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-61.8	-44.5	174.8	171.3	0	0	0	0	111.2	R24 L25 G30 A31 E32	R24-V28 WeakPolarHBondContact O-CB 3.43Å; R24-V28 VanDerWaalsContact O-CG2 3.24Å; R24-V28 WeakPolarHBondContact O-CG2 3.4Å; R24-V28 PolarHBondContact O-N 3.11Å; L25-V28 PolarHBondContact O-N 3.09Å; V28-G30 VanDerWaalsContact C-N 3.34Å; V28-A31 PolarHBondContact O-N 3Å; V28-E32 PolarHBondContact O-N 3.5Å
29	R	89.7	Confident	84.9	Confident	133 Å²	133	93.7 Å²	93.7	50%	0.502	53%	0.526	S	S	.	.	H	α-helix	trans	-66.5	-35.7	176.6	-68.7	-60.3	-178.5	-171.3	-2.2	112.4	L25 A26 E32 L33	L25-R29 HydrophobicContact CG-CG 4.43Å; L25-R29 WeakPolarHBondContact O-CB 3.5Å; L25-R29 VanDerWaalsContact O-CG 3.24Å; L25-R29 WeakPolarHBondContact O-CG 3.44Å; L25-R29 PolarHBondContact O-N 3.16Å; A26-R29 PolarHBondContact O-N 2.7Å; R29-E32 VanDerWaalsContact CD-OE2 3.26Å; R29-E32 WeakPolarHBondContact CD-OE2 3.29Å; R29-E32 IonicContact CZ-OE2 3.7Å; R29-E32 IonicContact NE-OE2 3.8Å; R29-E32 IonicContact NH1-OE1 3.98Å; R29-E32 IonicContact NH1-OE2 2.73Å; R29-E32 PolarHBondContact NH1-OE2 2.75Å; R29-E32 PolarHBondContact O-N 3.31Å; R29-L33 WeakPolarHBondContact O-CB 3.34Å; R29-L33 VanDerWaalsContact O-CG 3.3Å; R29-L33 WeakPolarHBondContact O-CG 3.4Å; R29-L33 PolarHBondContact O-N 3.15Å
30	G	94.8	Very high	85.6	Confident	39 Å²	39	92.7 Å²	92.7	40%	0.402	51%	0.511	S	S	.	.	H	α-helix	trans	-60.1	-45.9	172.7	0	0	0	0	0	111.8	A26 T27 V28 L33 A34	A26-G30 PolarHBondContact O-N 2.81Å; T27-G30 PolarHBondContact O-N 3.01Å; V28-G30 VanDerWaalsContact C-N 3.34Å; G30-L33 PolarHBondContact O-N 3.26Å; G30-A34 WeakPolarHBondContact O-CB 3.27Å; G30-A34 PolarHBondContact O-N 3.44Å
31	A	93.1	Very high	86	Confident	65 Å²	65	91 Å²	91	54%	0.537	51%	0.508	S	S	.	.	H	α-helix	trans	-64.7	-40.8	176.3	0	0	0	0	0	112.7	T27 V28 A34 S35	T27-A31 PolarHBondContact O-N 2.94Å; V28-A31 PolarHBondContact O-N 3Å; A31-A34 PolarHBondContact O-N 3.1Å; A31-S35 PolarHBondContact O-N 3.22Å
32	E	93.7	Very high	85.9	Confident	69 Å²	69	90.7 Å²	90.7	32%	0.322	51%	0.509	S	S	.	.	H	α-helix	trans	-63.1	-45	176.4	-171.9	-173.9	-170.2	0	0	111.9	V28 R29 A34 S35 F36	V28-E32 PolarHBondContact O-N 3.5Å; R29-E32 VanDerWaalsContact CD-OE2 3.26Å; R29-E32 WeakPolarHBondContact CD-OE2 3.29Å; R29-E32 IonicContact CZ-OE2 3.7Å; R29-E32 IonicContact NE-OE2 3.8Å; R29-E32 IonicContact NH1-OE1 3.98Å; R29-E32 IonicContact NH1-OE2 2.73Å; R29-E32 PolarHBondContact NH1-OE2 2.75Å; R29-E32 PolarHBondContact O-N 3.31Å; E32-A34 PolarHBondContact O-N 3.01Å; E32-S35 WeakPolarHBondContact O-CB 3.45Å; E32-S35 PolarHBondContact O-N 2.86Å; E32-F36 HydrophobicContact CG-CD2 4.13Å; E32-F36 HydrophobicContact CG-CE2 3.56Å; E32-F36 HydrophobicContact CG-CZ 4Å; E32-F36 WeakPolarHBondContact O-CD2 3.39Å; E32-F36 PolarHBondContact O-N 3.49Å
33	L	88.2	Confident	85.5	Confident	117 Å²	117	91.9 Å²	91.9	61%	0.613	51%	0.512	S	S	*	.	H	α-helix	trans	-63.1	-41.1	176.3	-73.4	172.3	0	0	0	111.9	R29 G30 S35 F36 E37	R29-L33 WeakPolarHBondContact O-CB 3.34Å; R29-L33 VanDerWaalsContact O-CG 3.3Å; R29-L33 WeakPolarHBondContact O-CG 3.4Å; R29-L33 PolarHBondContact O-N 3.15Å; G30-L33 PolarHBondContact O-N 3.26Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 3.28Å; L33-F36 PolarHBondContact O-N 3.28Å; L33-E37 WeakPolarHBondContact O-CB 3.33Å; L33-E37 PolarHBondContact O-N 3.41Å
34	A	90.6	Very high	84.7	Confident	58 Å²	58	86.8 Å²	86.8	48%	0.479	49%	0.486	S	S	.	.	H	α-helix	trans	-62.5	-39.8	174.8	0	0	0	0	0	111.9	G30 A31 E32 E37 S38	G30-A34 WeakPolarHBondContact O-CB 3.27Å; G30-A34 PolarHBondContact O-N 3.44Å; A31-A34 PolarHBondContact O-N 3.1Å; E32-A34 PolarHBondContact O-N 3.01Å; A34-E37 PolarHBondContact O-N 3.04Å; A34-S38 WeakPolarHBondContact O-CB 3.47Å; A34-S38 PolarHBondContact O-N 3.25Å
35	S	90	Very high	84.1	Confident	64 Å²	64	81.5 Å²	81.5	45%	0.448	48%	0.476	S	S	.	.	H	α-helix	trans	-63.2	-44.9	174.4	-178.6	0	0	0	0	112.1	A31 E32 L33 E37 S38 S39	A31-S35 PolarHBondContact O-N 3.22Å; E32-S35 WeakPolarHBondContact O-CB 3.45Å; E32-S35 PolarHBondContact O-N 2.86Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 3.28Å; S35-E37 PolarHBondContact O-N 3.17Å; S35-S38 PolarHBondContact O-N 3.37Å; S35-S38 PolarHBondContact O-OG 3.27Å; S35-S39 PolarHBondContact O-N 3.35Å; S35-S39 PolarHBondContact O-OG 3.48Å
36	F	83.2	Confident	83.6	Confident	111 Å²	111	82.2 Å²	82.2	49%	0.487	48%	0.484	S	S	.	.	H	α-helix	trans	-63.8	-40.4	175.3	-70	-37.8	0	0	0	112.7	E32 L33 S39 I40	E32-F36 HydrophobicContact CG-CD2 4.13Å; E32-F36 HydrophobicContact CG-CE2 3.56Å; E32-F36 HydrophobicContact CG-CZ 4Å; E32-F36 WeakPolarHBondContact O-CD2 3.39Å; E32-F36 PolarHBondContact O-N 3.49Å; L33-F36 PolarHBondContact O-N 3.28Å; F36-S39 PolarHBondContact O-N 3.19Å; F36-I40 VanDerWaalsContact O-CG1 3.31Å; F36-I40 WeakPolarHBondContact O-CG1 3.3Å; F36-I40 PolarHBondContact O-N 3.45Å
37	E	84.1	Confident	82.6	Confident	125 Å²	125	79.9 Å²	79.9	58%	0.584	47%	0.465	S	S	*	.	H	α-helix	trans	-63.3	-43.9	176.8	-171.6	168	-160.5	0	0	111.4	L33 A34 S35 S39 I40 N41	L33-E37 WeakPolarHBondContact O-CB 3.33Å; L33-E37 PolarHBondContact O-N 3.41Å; A34-E37 PolarHBondContact O-N 3.04Å; S35-E37 PolarHBondContact O-N 3.17Å; E37-S39 VanDerWaalsContact C-N 3.35Å; E37-S39 PolarHBondContact O-N 3.24Å; E37-I40 PolarHBondContact O-N 3.15Å; E37-N41 WeakPolarHBondContact O-CB 3.42Å; E37-N41 VanDerWaalsContact O-CG 3.24Å; E37-N41 PolarHBondContact O-N 3.21Å; E37-N41 PolarHBondContact O-ND2 3.38Å
38	S	83.6	Confident	81.5	Confident	62 Å²	62	82.8 Å²	82.8	43%	0.434	48%	0.476	S	S	.	.	H	α-helix	trans	-60.5	-43	175.1	77	0	0	0	0	112.1	A34 S35 I40 N41 V42	A34-S38 WeakPolarHBondContact O-CB 3.47Å; A34-S38 PolarHBondContact O-N 3.25Å; S35-S38 PolarHBondContact O-N 3.37Å; S35-S38 PolarHBondContact O-OG 3.27Å; S38-I40 PolarHBondContact O-N 3.17Å; S38-N41 PolarHBondContact O-N 2.82Å; S38-V42 WeakPolarHBondContact O-CG2 3.34Å; S38-V42 PolarHBondContact O-N 3.45Å
39	S	82	Confident	80.4	Confident	57 Å²	57	80.7 Å²	80.7	40%	0.399	46%	0.464	S	S	.	.	H	α-helix	trans	-64.1	-41.5	178.5	-63.3	0	0	0	0	112.2	S35 F36 E37 V42 L43	S35-S39 PolarHBondContact O-N 3.35Å; S35-S39 PolarHBondContact O-OG 3.48Å; F36-S39 PolarHBondContact O-N 3.19Å; E37-S39 VanDerWaalsContact C-N 3.35Å; E37-S39 PolarHBondContact O-N 3.24Å; S39-V42 PolarHBondContact O-N 2.96Å; S39-L43 WeakPolarHBondContact O-CB 3.23Å; S39-L43 WeakPolarHBondContact O-CG 3.37Å; S39-L43 PolarHBondContact O-N 3.29Å
40	I	76	Confident	79.5	Confident	101 Å²	101	74.4 Å²	74.4	52%	0.518	44%	0.44	S	S	.	.	H	α-helix	trans	-65.4	-40.9	175.2	-69.7	168.1	0	0	0	110.5	F36 E37 S38 L43 T44	F36-I40 VanDerWaalsContact O-CG1 3.31Å; F36-I40 WeakPolarHBondContact O-CG1 3.3Å; F36-I40 PolarHBondContact O-N 3.45Å; E37-I40 PolarHBondContact O-N 3.15Å; S38-I40 PolarHBondContact O-N 3.17Å; I40-L43 PolarHBondContact O-N 3.41Å; I40-T44 HydrophobicContact CG2-CG2 4.18Å; I40-T44 WeakPolarHBondContact O-CB 3.49Å; I40-T44 VanDerWaalsContact O-CG2 3.23Å; I40-T44 WeakPolarHBondContact O-CG2 3.44Å; I40-T44 PolarHBondContact O-N 3.06Å; I40-T44 PolarHBondContact O-OG1 2.76Å
41	N	76.8	Confident	78.4	Confident	89 Å²	89	74.5 Å²	74.5	48%	0.476	43%	0.432	S	S	.	.	H	α-helix	trans	-65.5	-39.9	178.8	-72.7	-23	0	0	0	111.9	E37 S38 T44 S45	E37-N41 WeakPolarHBondContact O-CB 3.42Å; E37-N41 VanDerWaalsContact O-CG 3.24Å; E37-N41 PolarHBondContact O-N 3.21Å; E37-N41 PolarHBondContact O-ND2 3.38Å; S38-N41 PolarHBondContact O-N 2.82Å; N41-T44 WeakPolarHBondContact CA-OG1 3.43Å; N41-T44 PolarHBondContact O-N 3.08Å; N41-T44 PolarHBondContact O-OG1 3.3Å; N41-S45 WeakPolarHBondContact O-CB 3.43Å; N41-S45 PolarHBondContact O-N 3.17Å; N41-S45 PolarHBondContact O-OG 3.29Å
42	V	77.5	Confident	77.5	Confident	90 Å²	90	76 Å²	76	55%	0.545	43%	0.427	S	S	.	.	H	α-helix	trans	-63.3	-50.8	173.4	173.9	0	0	0	0	110.8	S38 S39 T44 S45 T46	S38-V42 WeakPolarHBondContact O-CG2 3.34Å; S38-V42 PolarHBondContact O-N 3.45Å; S39-V42 PolarHBondContact O-N 2.96Å; V42-T44 VanDerWaalsContact C-N 3.3Å; V42-T44 PolarHBondContact O-N 3.49Å; V42-S45 PolarHBondContact O-N 3.05Å; V42-S45 VanDerWaalsContact O-N 3.17Å; V42-S45 PolarHBondContact O-OG 3.03Å; V42-T46 PolarHBondContact O-N 3.36Å; V42-T46 VanDerWaalsContact O-N 3.08Å; V42-T46 PolarHBondContact O-OG1 3.3Å; V42-T46 VanDerWaalsContact O-OG1 3.06Å
43	L	70.2	Confident	76.7	Confident	123 Å²	123	76.5 Å²	76.5	64%	0.644	43%	0.426	S	S	*	.	H	α-helix	trans	-61.2	-36.3	179.2	-73.4	170.5	0	0	0	113.1	S39 I40 A47	S39-L43 WeakPolarHBondContact O-CB 3.23Å; S39-L43 WeakPolarHBondContact O-CG 3.37Å; S39-L43 PolarHBondContact O-N 3.29Å; I40-L43 PolarHBondContact O-N 3.41Å; L43-A47 WeakPolarHBondContact O-CB 3.47Å; L43-A47 PolarHBondContact O-N 3.17Å
44	T	70.3	Confident	76	Confident	28 Å²	28	71 Å²	71	17%	0.172	40%	0.398	C	S	.	.	H	α-helix	trans	-74.8	-33.2	177.3	52.3	0	0	0	0	111.9	I40 N41 V42 R53	I40-T44 HydrophobicContact CG2-CG2 4.18Å; I40-T44 WeakPolarHBondContact O-CB 3.49Å; I40-T44 VanDerWaalsContact O-CG2 3.23Å; I40-T44 WeakPolarHBondContact O-CG2 3.44Å; I40-T44 PolarHBondContact O-N 3.06Å; I40-T44 PolarHBondContact O-OG1 2.76Å; N41-T44 WeakPolarHBondContact CA-OG1 3.43Å; N41-T44 PolarHBondContact O-N 3.08Å; N41-T44 PolarHBondContact O-OG1 3.3Å; V42-T44 VanDerWaalsContact C-N 3.3Å; V42-T44 PolarHBondContact O-N 3.49Å; T44-R53 WeakPolarHBondContact O-CA 3.25Å; T44-R53 VanDerWaalsContact O-CG 3.23Å; T44-R53 WeakPolarHBondContact O-CG 3.06Å
45	S	70.4	Confident	75.2	Confident	66 Å²	66	71.2 Å²	71.2	46%	0.462	39%	0.394	S	S	.	.	H	α-helix	trans	-69.9	-40.9	176.8	70.8	0	0	0	0	112.7	N41 V42 R53	N41-S45 WeakPolarHBondContact O-CB 3.43Å; N41-S45 PolarHBondContact O-N 3.17Å; N41-S45 PolarHBondContact O-OG 3.29Å; V42-S45 PolarHBondContact O-N 3.05Å; V42-S45 VanDerWaalsContact O-N 3.17Å; V42-S45 PolarHBondContact O-OG 3.03Å; S45-R53 PolarHBondContact O-NE 3.33Å; S45-R53 VanDerWaalsContact O-NE 3.15Å; S45-R53 PolarHBondContact O-NH2 2.93Å
46	T	70.5	Confident	74.1	Confident	96 Å²	96	73.6 Å²	73.6	59%	0.589	41%	0.406	S	S	*	.	H	α-helix	trans	-83.7	-8.7	-178	56.8	0	0	0	0	114	V42 L48	V42-T46 PolarHBondContact O-N 3.36Å; V42-T46 VanDerWaalsContact O-N 3.08Å; V42-T46 PolarHBondContact O-OG1 3.3Å; V42-T46 VanDerWaalsContact O-OG1 3.06Å; T46-L48 PolarHBondContact O-N 3.07Å
47	A	68.1	Low	73.5	Confident	13 Å²	13	79 Å²	79	11%	0.107	42%	0.423	C	S	.	.			trans	-62.5	134.3	-176.5	0	0	0	0	0	113.9	L43 T49 Q52 R53	L43-A47 WeakPolarHBondContact O-CB 3.47Å; L43-A47 PolarHBondContact O-N 3.17Å; A47-T49 PolarHBondContact O-N 3.03Å; A47-Q52 HydrophobicContact CB-CB 3.44Å; A47-Q52 VanDerWaalsContact CB-CB 3.44Å; A47-R53 HydrophobicContact CB-CG 4.05Å; A47-R53 PolarHBondContact O-NE 3.36Å
48	L	68.2	Low	72.9	Confident	149 Å²	149	77 Å²	77	78%	0.78	42%	0.416	S	S	*	.	S	Bend	trans	-66.9	-33.5	-177.9	-67	170.5	0	0	0	113.2	T46	T46-L48 PolarHBondContact O-N 3.07Å
49	T	67.8	Low	72.6	Confident	39 Å²	39	79.2 Å²	79.2	24%	0.239	42%	0.415	C	S	.	.	S	Bend	trans	-104.6	140.1	-173.5	68.4	0	0	0	0	111.7	A47 L51 Q52 R53 T81	A47-T49 PolarHBondContact O-N 3.03Å; T49-L51 PolarHBondContact O-N 3.19Å; T49-Q52 PolarHBondContact O-N 2.87Å; T49-Q52 WeakPolarHBondContact OG1-CB 3.39Å; T49-Q52 VanDerWaalsContact OG1-CD 3.28Å; T49-Q52 VanDerWaalsContact OG1-CG 3.27Å; T49-Q52 WeakPolarHBondContact OG1-CG 3.2Å; T49-Q52 PolarHBondContact OG1-N 2.95Å; T49-Q52 PolarHBondContact OG1-OE1 3.19Å; T49-R53 PolarHBondContact O-N 3.35Å; T49-T81 HydrophobicContact CG2-CG2 3.95Å
50	G	70.1	Confident	72.1	Confident	1 Å²	1	85.1 Å²	85.1	1%	0.01	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-23.8	175.8	0	0	0	0	0	114
51	L	71.1	Confident	72	Confident	42 Å²	42	91.3 Å²	91.3	22%	0.22	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-41.3	174.1	-86.8	171.7	0	0	0	113.6	T49 L54 R59 A63 L70	T49-L51 PolarHBondContact O-N 3.19Å; L51-L54 PolarHBondContact O-N 2.99Å; L51-R59 PolarHBondContact O-NE 3.41Å; L51-R59 VanDerWaalsContact O-NE 3.09Å; L51-A63 HydrophobicContact CD2-CB 3.69Å; L51-L70 HydrophobicContact CD2-CD2 3.73Å; L51-L70 HydrophobicContact CG-CD2 4.11Å
52	Q	75.4	Confident	71.4	Confident	96 Å²	96	90 Å²	90	45%	0.449	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-34.1	-179.5	-77.6	167.4	-25	0	0	111.1	A47 T49 L54 R59	A47-Q52 HydrophobicContact CB-CB 3.44Å; A47-Q52 VanDerWaalsContact CB-CB 3.44Å; T49-Q52 PolarHBondContact O-N 2.87Å; T49-Q52 WeakPolarHBondContact OG1-CB 3.39Å; T49-Q52 VanDerWaalsContact OG1-CD 3.28Å; T49-Q52 VanDerWaalsContact OG1-CG 3.27Å; T49-Q52 WeakPolarHBondContact OG1-CG 3.2Å; T49-Q52 PolarHBondContact OG1-N 2.95Å; T49-Q52 PolarHBondContact OG1-OE1 3.19Å; Q52-L54 PolarHBondContact O-N 2.82Å; Q52-R59 PolarHBondContact O-NH2 3.47Å
53	R	76.1	Confident	71	Confident	79 Å²	79	85.9 Å²	85.9	30%	0.298	42%	0.422	S	S	.	.	S	Bend	trans	-63.3	-22.1	173.1	-60.8	-158.3	147.7	159	-6.4	114	T44 S45 A47 T49 F74 H77	T44-R53 WeakPolarHBondContact O-CA 3.25Å; T44-R53 VanDerWaalsContact O-CG 3.23Å; T44-R53 WeakPolarHBondContact O-CG 3.06Å; S45-R53 PolarHBondContact O-NE 3.33Å; S45-R53 VanDerWaalsContact O-NE 3.15Å; S45-R53 PolarHBondContact O-NH2 2.93Å; A47-R53 HydrophobicContact CB-CG 4.05Å; A47-R53 PolarHBondContact O-NE 3.36Å; T49-R53 PolarHBondContact O-N 3.35Å; R53-F74 HydrophobicContact CB-CD1 4.19Å; R53-F74 HydrophobicContact CB-CE1 3.58Å; R53-F74 HydrophobicContact CB-CZ 4.31Å; R53-F74 HydrophobicContact CG-CE1 4.41Å; R53-H77 PolarHBondContact NH1-CE1 3.41Å; R53-H77 PolarHBondContact NH1-NE2 3.09Å
54	L	75.2	Confident	71	Confident	3 Å²	3	83.8 Å²	83.8	2%	0.016	42%	0.418	C	S	.	.	S	Bend	trans	-76.8	135.5	176.6	-78.5	167.5	0	0	0	110.9	L51 Q52 L58 R59 L70 P71 F74	L51-L54 PolarHBondContact O-N 2.99Å; Q52-L54 PolarHBondContact O-N 2.82Å; L54-L58 HydrophobicContact CD2-CB 4.22Å; L54-L58 HydrophobicContact CD2-CD1 4.47Å; L54-R59 HydrophobicContact CB-CG 4.07Å; L54-R59 PolarHBondContact O-NE 2.93Å; L54-R59 PolarHBondContact O-NH2 3.29Å; L54-L70 HydrophobicContact CD1-CD2 3.36Å; L54-P71 HydrophobicContact CD2-CG 4.04Å; L54-F74 HydrophobicContact CD2-CD2 3.98Å; L54-F74 HydrophobicContact CD2-CE2 3.51Å; L54-F74 HydrophobicContact CD2-CZ 4.21Å; L54-F74 HydrophobicContact CG-CD2 4.23Å; L54-F74 HydrophobicContact CG-CE2 4.03Å; L54-F74 HydrophobicContact CG-CZ 4.49Å
55	P	73.1	Confident	70.8	Confident	62 Å²	62	90.9 Å²	90.9	40%	0.403	45%	0.449	S	S	.	.			trans	-51.1	142.5	166.3	-25.7	33.1	0	0	0	110.8	R57 L58 R59	P55-R57 HydrophobicContact CB-CG 4.42Å; P55-R57 PolarHBondContact O-N 3.48Å; P55-R57 VanDerWaalsContact O-N 3.11Å; P55-L58 HydrophobicContact CG-CD1 4.28Å; P55-L58 PolarHBondContact O-N 2.87Å; P55-R59 PolarHBondContact O-N 2.94Å
56	V	67.2	Low	71	Confident	113 Å²	113	95 Å²	95	69%	0.685	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-51.2	-42.8	-174.8	177.1	0	0	0	0	111.7	L58 R59	V56-L58 PolarHBondContact O-N 3.48Å; V56-R59 WeakPolarHBondContact O-CB 3.26Å; V56-R59 PolarHBondContact O-N 3.22Å; V56-R59 VanDerWaalsContact O-N 3.15Å
57	R	69.8	Low	71.2	Confident	224 Å²	224	92.1 Å²	92.1	85%	0.845	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-64	-20.5	179	70.4	-176.8	-177	102	-3.5	115.2	P55	P55-R57 HydrophobicContact CB-CG 4.42Å; P55-R57 PolarHBondContact O-N 3.48Å; P55-R57 VanDerWaalsContact O-N 3.11Å
58	L	72	Confident	71.6	Confident	84 Å²	84	97.3 Å²	97.3	44%	0.44	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-96.5	-7.5	177.8	-68.8	-180	0	0	0	113.2	L54 P55 V56 R60	L54-L58 HydrophobicContact CD2-CB 4.22Å; L54-L58 HydrophobicContact CD2-CD1 4.47Å; P55-L58 HydrophobicContact CG-CD1 4.28Å; P55-L58 PolarHBondContact O-N 2.87Å; V56-L58 PolarHBondContact O-N 3.48Å; L58-R60 PolarHBondContact O-N 2.94Å
59	R	77.5	Confident	72.1	Confident	109 Å²	109	95.5 Å²	95.5	41%	0.411	44%	0.443	S	S	.	.			trans	-71.6	113.8	179.6	-64.8	179.9	-174.3	171.1	0.1	110.2	L51 Q52 L54 P55 V56	L51-R59 PolarHBondContact O-NE 3.41Å; L51-R59 VanDerWaalsContact O-NE 3.09Å; Q52-R59 PolarHBondContact O-NH2 3.47Å; L54-R59 HydrophobicContact CB-CG 4.07Å; L54-R59 PolarHBondContact O-NE 2.93Å; L54-R59 PolarHBondContact O-NH2 3.29Å; P55-R59 PolarHBondContact O-N 2.94Å; V56-R59 WeakPolarHBondContact O-CB 3.26Å; V56-R59 PolarHBondContact O-N 3.22Å; V56-R59 VanDerWaalsContact O-N 3.15Å
60	R	71.9	Confident	72.4	Confident	180 Å²	180	94 Å²	94	68%	0.679	43%	0.434	S	S	*	.			trans	-92.3	149.5	177.5	-65.1	-174.1	174	-168.1	-2	112.1	L58 A63	L58-R60 PolarHBondContact O-N 2.94Å; R60-A63 WeakPolarHBondContact O-CB 3.08Å; R60-A63 PolarHBondContact O-N 3.09Å
61	R	72.1	Confident	72.8	Confident	231 Å²	231	96.6 Å²	96.6	87%	0.872	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	142.9	174.1	-73	-177.6	179.9	175.2	1.1	111.4	A63 R69	R61-A63 PolarHBondContact O-N 2.97Å; R61-R69 PolarHBondContact O-NH1 3.11Å
62	A	65.3	Low	73.1	Confident	63 Å²	63	105.3 Å²	105.3	52%	0.521	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	11.4	178.2	0	0	0	0	0	116.3	S64 H65 R66	A62-S64 PolarHBondContact O-N 2.94Å; A62-H65 PolarHBondContact O-N 2.6Å; A62-R66 PolarHBondContact O-N 3.02Å; A62-R66 VanDerWaalsContact O-N 3.16Å
63	A	69.5	Low	73.3	Confident	2 Å²	2	109.6 Å²	109.6	2%	0.017	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-11.9	176	0	0	0	0	0	113.6	L51 R60 R61 H65 R69 L70	L51-A63 HydrophobicContact CD2-CB 3.69Å; R60-A63 WeakPolarHBondContact O-CB 3.08Å; R60-A63 PolarHBondContact O-N 3.09Å; R61-A63 PolarHBondContact O-N 2.97Å; A63-H65 VanDerWaalsContact C-N 3.33Å; A63-H65 PolarHBondContact O-N 3.44Å; A63-R69 HydrophobicContact CB-CB 4.15Å; A63-L70 HydrophobicContact CB-CD2 3.95Å; A63-L70 HydrophobicContact CB-CG 4.21Å
64	S	68.8	Low	73.2	Confident	80 Å²	80	106.8 Å²	106.8	56%	0.559	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-27.4	173.6	55.1	0	0	0	0	113.8	A62 H78	A62-S64 PolarHBondContact O-N 2.94Å; S64-H78 PolarHBondContact O-CE1 2.86Å; S64-H78 PolarHBondContact O-NE2 3.47Å
65	H	67.2	Low	73.2	Confident	177 Å²	177	108.7 Å²	108.7	82%	0.819	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	-9.7	-177.9	-151.6	-58.4	0	0	0	113.3	A62 A63	A62-H65 PolarHBondContact O-N 2.6Å; A63-H65 VanDerWaalsContact C-N 3.33Å; A63-H65 PolarHBondContact O-N 3.44Å
66	R	74.7	Confident	73	Confident	153 Å²	153	114 Å²	114	58%	0.577	51%	0.508	S	S	*	.			trans	-123.9	89.4	176.9	-166.1	174.6	-174.4	-178.3	-0.3	109.6	A62 N68 R69	A62-R66 PolarHBondContact O-N 3.02Å; A62-R66 VanDerWaalsContact O-N 3.16Å; R66-N68 VanDerWaalsContact C-N 3.28Å; R66-N68 PolarHBondContact O-N 2.91Å; R66-R69 PolarHBondContact O-N 3.29Å; R66-R69 VanDerWaalsContact O-N 3.17Å
67	I	74.2	Confident	72.9	Confident	34 Å²	34	111.3 Å²	111.3	17%	0.174	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-57.9	-36.3	-170.6	-163.3	173.1	0	0	0	113.4	R69 L70 H75 H78	I67-R69 PolarHBondContact O-N 3.22Å; I67-L70 HydrophobicContact CG1-CD1 4.44Å; I67-L70 WeakPolarHBondContact O-CB 3.38Å; I67-L70 PolarHBondContact O-N 2.87Å; I67-H75 HydrophobicContact CD1-CB 3.87Å; I67-H75 WeakPolarHBondContact CD1-O 3.38Å; I67-H75 HydrophobicContact CG1-CB 4.16Å; I67-H75 PolarHBondContact O-NE2 2.97Å; I67-H75 VanDerWaalsContact O-NE2 3.11Å; I67-H78 HydrophobicContact CD1-CB 3.41Å; I67-H78 VanDerWaalsContact CD1-CB 3.41Å; I67-H78 HydrophobicContact CG1-CB 3.89Å
68	N	77.4	Confident	72.6	Confident	122 Å²	122	102 Å²	102	65%	0.652	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-60.2	-8.9	179.9	-54.2	3.5	0	0	0	114.6	R66	R66-N68 VanDerWaalsContact C-N 3.28Å; R66-N68 PolarHBondContact O-N 2.91Å
69	R	77.3	Confident	71.9	Confident	112 Å²	112	102.9 Å²	102.9	42%	0.423	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-85.2	-13.4	173.3	-71.5	-171.1	168	-163	-5.1	113.4	R61 A63 R66 I67	R61-R69 PolarHBondContact O-NH1 3.11Å; A63-R69 HydrophobicContact CB-CB 4.15Å; R66-R69 PolarHBondContact O-N 3.29Å; R66-R69 VanDerWaalsContact O-N 3.17Å; I67-R69 PolarHBondContact O-N 3.22Å
70	L	74.6	Confident	70.7	Confident	7 Å²	7	104.2 Å²	104.2	4%	0.037	47%	0.47	C	S	.	.	S	Bend	trans	-83.9	151.6	171.2	-61.3	169.1	0	0	0	108.6	L51 L54 A63 I67 R72 F74 H75	L51-L70 HydrophobicContact CD2-CD2 3.73Å; L51-L70 HydrophobicContact CG-CD2 4.11Å; L54-L70 HydrophobicContact CD1-CD2 3.36Å; A63-L70 HydrophobicContact CB-CD2 3.95Å; A63-L70 HydrophobicContact CB-CG 4.21Å; I67-L70 HydrophobicContact CG1-CD1 4.44Å; I67-L70 WeakPolarHBondContact O-CB 3.38Å; I67-L70 PolarHBondContact O-N 2.87Å; L70-R72 PolarHBondContact O-N 2.71Å; L70-F74 HydrophobicContact CB-CB 4.32Å; L70-H75 PolarHBondContact O-NE2 2.79Å
71	P	79.1	Confident	69.6	Low	56 Å²	56	98.8 Å²	98.8	36%	0.364	46%	0.457	S	S	.	.			trans	-55.9	140.1	167.5	-23.1	32.1	0	0	0	110.6	L54 R73 F74	L54-P71 HydrophobicContact CD2-CG 4.04Å; P71-R73 HydrophobicContact CB-CG 4.26Å; P71-R73 PolarHBondContact O-N 2.59Å; P71-F74 HydrophobicContact CB-CD2 3.94Å; P71-F74 HydrophobicContact CB-CE2 4.4Å; P71-F74 HydrophobicContact CG-CD2 3.96Å; P71-F74 HydrophobicContact CG-CE2 4.23Å; P71-F74 PolarHBondContact O-N 2.87Å
72	R	77.8	Confident	68.5	Low	225 Å²	225	91.5 Å²	91.5	85%	0.849	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-50.6	-34.9	-172.3	-159.2	176.3	-177.8	-172.8	0.4	113.5	L70 F74 H75	L70-R72 PolarHBondContact O-N 2.71Å; R72-F74 PolarHBondContact O-N 2.86Å; R72-H75 WeakPolarHBondContact O-CB 3.14Å; R72-H75 PolarHBondContact O-N 3.03Å; R72-H75 VanDerWaalsContact O-N 3.14Å
73	R	78.3	Confident	67.4	Low	185 Å²	185	93.3 Å²	93.3	70%	0.698	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-57.7	-29.3	175.3	66.6	-178.6	-178.1	-172.2	-0.3	114.5	P71	P71-R73 HydrophobicContact CB-CG 4.26Å; P71-R73 PolarHBondContact O-N 2.59Å
74	F	73.8	Confident	66.5	Low	21 Å²	21	100.7 Å²	100.7	9%	0.092	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-89.6	-6.5	-179.9	-66.3	-69.8	0	0	0	113.9	R53 L54 L70 P71 R72 K76 H77	R53-F74 HydrophobicContact CB-CD1 4.19Å; R53-F74 HydrophobicContact CB-CE1 3.58Å; R53-F74 HydrophobicContact CB-CZ 4.31Å; R53-F74 HydrophobicContact CG-CE1 4.41Å; L54-F74 HydrophobicContact CD2-CD2 3.98Å; L54-F74 HydrophobicContact CD2-CE2 3.51Å; L54-F74 HydrophobicContact CD2-CZ 4.21Å; L54-F74 HydrophobicContact CG-CD2 4.23Å; L54-F74 HydrophobicContact CG-CE2 4.03Å; L54-F74 HydrophobicContact CG-CZ 4.49Å; L70-F74 HydrophobicContact CB-CB 4.32Å; P71-F74 HydrophobicContact CB-CD2 3.94Å; P71-F74 HydrophobicContact CB-CE2 4.4Å; P71-F74 HydrophobicContact CG-CD2 3.96Å; P71-F74 HydrophobicContact CG-CE2 4.23Å; P71-F74 PolarHBondContact O-N 2.87Å; R72-F74 PolarHBondContact O-N 2.86Å; F74-K76 VanDerWaalsContact C-N 3.26Å; F74-K76 PolarHBondContact O-N 3.04Å; F74-H77 PolarHBondContact O-N 3.14Å
75	H	75.7	Confident	65.4	Low	43 Å²	43	103.7 Å²	103.7	20%	0.199	49%	0.486	C	S	.	.	H	α-helix	trans	-61.9	-37	179.6	-69.2	-166.8	0	0	0	111.5	I67 L70 R72 H77 H78 H79	I67-H75 HydrophobicContact CD1-CB 3.87Å; I67-H75 WeakPolarHBondContact CD1-O 3.38Å; I67-H75 HydrophobicContact CG1-CB 4.16Å; I67-H75 PolarHBondContact O-NE2 2.97Å; I67-H75 VanDerWaalsContact O-NE2 3.11Å; L70-H75 PolarHBondContact O-NE2 2.79Å; R72-H75 WeakPolarHBondContact O-CB 3.14Å; R72-H75 PolarHBondContact O-N 3.03Å; R72-H75 VanDerWaalsContact O-N 3.14Å; H75-H77 PolarHBondContact O-N 3.32Å; H75-H78 PolarHBondContact O-N 2.88Å; H75-H78 VanDerWaalsContact O-N 3.13Å; H75-H79 PolarHBondContact O-CD2 2.69Å
76	K	69.5	Low	63.9	Low	173 Å²	173	102.4 Å²	102.4	75%	0.752	49%	0.485	S	S	*	.	H	α-helix	trans	-57.6	-33.2	178	-63.6	-173.9	178.9	-175.2	0	112.9	F74	F74-K76 VanDerWaalsContact C-N 3.26Å; F74-K76 PolarHBondContact O-N 3.04Å
77	H	64.2	Low	62	Low	57 Å²	57	98.1 Å²	98.1	26%	0.264	49%	0.488	S	S	.	.	H	α-helix	trans	-82.3	-14	-178.1	-63	-61.8	0	0	0	114.4	R53 F74 H75	R53-H77 PolarHBondContact NH1-CE1 3.41Å; R53-H77 PolarHBondContact NH1-NE2 3.09Å; F74-H77 PolarHBondContact O-N 3.14Å; H75-H77 PolarHBondContact O-N 3.32Å
78	H	62.9	Low	60.1	Low	27 Å²	27	102.3 Å²	102.3	13%	0.125	52%	0.521	C	S	.	.	H	α-helix	trans	-79.6	-35.1	178.8	-165.5	-87.8	0	0	0	111.4	S64 I67 H75 L80 T81	S64-H78 PolarHBondContact O-CE1 2.86Å; S64-H78 PolarHBondContact O-NE2 3.47Å; I67-H78 HydrophobicContact CD1-CB 3.41Å; I67-H78 VanDerWaalsContact CD1-CB 3.41Å; I67-H78 HydrophobicContact CG1-CB 3.89Å; H75-H78 PolarHBondContact O-N 2.88Å; H75-H78 VanDerWaalsContact O-N 3.13Å; H78-L80 PolarHBondContact O-N 2.94Å; H78-T81 PolarHBondContact O-N 3.37Å; H78-T81 PolarHBondContact O-OG1 2.67Å
79	H	57.5	Low	58	Low	104 Å²	104	106 Å²	106	48%	0.481	53%	0.531	S	S	.	.	H	α-helix	trans	-58.8	-31.1	177.7	-75	-78.7	0	0	0	113.2	H75 T81 N82	H75-H79 PolarHBondContact O-CD2 2.69Å; H79-T81 PolarHBondContact O-N 3.39Å; H79-N82 CarbonylContact O-C 3.54Å; H79-N82 PolarHBondContact O-N 3.31Å
80	L	52.2	Low	55.8	Low	136 Å²	136	107 Å²	107	71%	0.712	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-21.3	175.8	-82.2	139.4	0	0	0	113.8	H78	H78-L80 PolarHBondContact O-N 2.94Å
81	T	50.4	Low	53.9	Low	67 Å²	67	109.1 Å²	109.1	41%	0.411	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.1	-12.2	178.1	59.1	0	0	0	0	114.4	T49 H78 H79 P83	T49-T81 HydrophobicContact CG2-CG2 3.95Å; H78-T81 PolarHBondContact O-N 3.37Å; H78-T81 PolarHBondContact O-OG1 2.67Å; H79-T81 PolarHBondContact O-N 3.39Å; T81-P83 VanDerWaalsContact C-CD 3.42Å; T81-P83 WeakPolarHBondContact O-CD 3.33Å
82	N	47.7	Very low	52	Low	78 Å²	78	113.7 Å²	113.7	42%	0.417	61%	0.606	S	S	.	*			trans	-114.1	78.4	175.2	-75.9	-14.7	0	0	0	109.3	H79 N84	H79-N82 CarbonylContact O-C 3.54Å; H79-N82 PolarHBondContact O-N 3.31Å; N82-N84 PolarHBondContact O-N 3.27Å
83	P	42.5	Very low	50.4	Low	101 Å²	101	112 Å²	112	66%	0.656	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-3.4	173.7	28.8	-35.4	0	0	0	113	T81	T81-P83 VanDerWaalsContact C-CD 3.42Å; T81-P83 WeakPolarHBondContact O-CD 3.33Å
84	N	49.9	Very low	49	Very low	157 Å²	157	111.9 Å²	111.9	84%	0.84	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-10.9	-175.3	-69.7	-6.2	0	0	0	115.1	N82	N82-N84 PolarHBondContact O-N 3.27Å
85	E	46.3	Very low	47.8	Very low	142 Å²	142	118.3 Å²	118.3	66%	0.664	65%	0.646	S	S	*	*	S	Bend	trans	-101.1	-34	-173.9	-74.3	-173.3	169.7	0	0	114.3
86	N	36.9	Very low	46.6	Very low	151 Å²	151	125.5 Å²	125.5	81%	0.807	68%	0.677	S	S	*	*	S	Bend	trans	-131.7	94.2	-180	-72.9	-7.9	0	0	0	110.8
87	G	34.9	Very low	46.1	Very low	62 Å²	62	124.6 Å²	124.6	64%	0.639	68%	0.68	S	S	*	*			trans	161.7	70.6	175.6	0	0	0	0	0	113.7	K89	G87-K89 PolarHBondContact O-N 3.4Å
88	S	33.2	Very low	45.9	Very low	122 Å²	122	131.4 Å²	131.4	85%	0.853	71%	0.709	S	S	*	*			trans	-36.7	100.1	157.7	37.7	0	0	0	0	113.8
89	K	33.8	Very low	46	Very low	199 Å²	199	136.6 Å²	136.6	87%	0.865	74%	0.737	S	S	*	*			trans	-146.8	97.7	155.2	-71.7	-163.3	178.2	178.4	0	111.3	G87 G91	G87-K89 PolarHBondContact O-N 3.4Å; K89-G91 PolarHBondContact O-N 3.18Å
90	S	31.5	Very low	46.7	Very low	134 Å²	134	137.2 Å²	137.2	94%	0.937	74%	0.738	S	S	*	*			trans	10.3	102	139.4	173.2	0	0	0	0	116.4
91	G	34.3	Very low	47.7	Very low	51 Å²	51	134.3 Å²	134.3	53%	0.526	73%	0.729	S	S	.	*			trans	-178.5	115.3	166.2	0	0	0	0	0	109.1	K89 F93	K89-G91 PolarHBondContact O-N 3.18Å; G91-F93 PolarHBondContact O-N 3.43Å
92	T	38.4	Very low	48.8	Very low	152 Å²	152	138.9 Å²	138.9	93%	0.933	74%	0.739	S	S	*	*			trans	-60.9	55	-174.9	28.7	0	0	0	0	114.5	Q94	T92-Q94 PolarHBondContact O-N 3.17Å
93	F	43.8	Very low	50	Low	191 Å²	191	145.8 Å²	145.8	84%	0.838	76%	0.759	S	S	*	*			trans	-68.6	107.7	169.8	-83.1	-84.4	0	0	0	109.1	G91 I95	G91-F93 PolarHBondContact O-N 3.43Å; F93-I95 PolarHBondContact O-N 3.29Å
94	Q	48.8	Very low	51.4	Low	182 Å²	182	144.7 Å²	144.7	85%	0.85	74%	0.742	S	S	*	*			trans	-36.9	114.7	166.9	-69.3	177	-8.4	0	0	109	T92 K96	T92-Q94 PolarHBondContact O-N 3.17Å; Q94-K96 PolarHBondContact O-N 2.92Å
95	I	49.8	Very low	52.4	Low	156 Å²	156	142.7 Å²	142.7	80%	0.8	72%	0.723	S	S	*	*			trans	-59.2	94.7	178.4	-59.9	167.9	0	0	0	105.7	F93 N97	F93-I95 PolarHBondContact O-N 3.29Å; I95-N97 PolarHBondContact O-N 2.9Å
96	K	50.6	Low	53.5	Low	194 Å²	194	142.8 Å²	142.8	84%	0.843	72%	0.717	S	S	*	*			trans	-54.1	108.6	171.6	-81.4	-178.4	177.1	174.1	0	105.1	Q94 K98	Q94-K96 PolarHBondContact O-N 2.92Å; K96-K98 WeakPolarHBondContact O-CA 3.48Å; K96-K98 PolarHBondContact O-N 3.05Å
97	N	59.6	Low	55.1	Low	153 Å²	153	143.1 Å²	143.1	82%	0.818	71%	0.707	S	S	*	*			trans	-42.5	104.1	-179.9	-92.3	-27.7	0	0	0	108.1	I95 L99	I95-N97 PolarHBondContact O-N 2.9Å; N97-L99 PolarHBondContact O-N 2.99Å
98	K	59.3	Low	56.6	Low	200 Å²	200	144.7 Å²	144.7	87%	0.87	70%	0.704	S	S	*	*			trans	-58.3	115.9	-168.6	-163.9	174.9	-172.8	172.4	0	106	K96 K100	K96-K98 WeakPolarHBondContact O-CA 3.48Å; K96-K98 PolarHBondContact O-N 3.05Å; K98-K100 PolarHBondContact O-N 3.32Å
99	L	64.2	Low	58	Low	136 Å²	136	143.6 Å²	143.6	71%	0.712	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-49.7	122.4	-180	-76.9	169.9	0	0	0	107.6	N97 S101	N97-L99 PolarHBondContact O-N 2.99Å; L99-S101 PolarHBondContact O-N 3.38Å
100	K	73.1	Confident	59.6	Low	118 Å²	118	139.2 Å²	139.2	51%	0.513	67%	0.666	S	S	.	*	P	Polyproline II helix	trans	-47.4	142.4	-179.1	-63.9	-171.9	-179.3	-174.1	0	109.5	K98 Y104 R105	K98-K100 PolarHBondContact O-N 3.32Å; K100-Y104 HydrophobicContact CB-CD1 3.56Å; K100-Y104 HydrophobicContact CB-CE1 4.23Å; K100-Y104 HydrophobicContact CB-CG 4.07Å; K100-Y104 HydrophobicContact CD-CD1 3.37Å; K100-Y104 HydrophobicContact CD-CE1 3.1Å; K100-Y104 HydrophobicContact CD-CE2 4.37Å; K100-Y104 HydrophobicContact CD-CG 4.13Å; K100-Y104 HydrophobicContact CG-CD1 4.08Å; K100-Y104 HydrophobicContact CG-CE1 4.26Å; K100-Y104 PolarHBondContact NZ-OH 3.16Å; K100-Y104 VanDerWaalsContact NZ-OH 3.07Å; K100-R105 PolarHBondContact O-NE 3.24Å; K100-R105 VanDerWaalsContact O-NE 3.1Å
101	S	73.5	Confident	61.2	Low	74 Å²	74	135 Å²	135	52%	0.517	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-48.3	148.1	-171.5	75.2	0	0	0	0	111.9	L99 R103 Y104 R105	L99-S101 PolarHBondContact O-N 3.38Å; S101-R103 PolarHBondContact O-N 2.99Å; S101-R103 VanDerWaalsContact O-N 3.09Å; S101-Y104 WeakPolarHBondContact O-CA 3.36Å; S101-Y104 WeakPolarHBondContact O-CB 3.41Å; S101-Y104 PolarHBondContact O-N 3.44Å; S101-Y104 WeakPolarHBondContact OG-CB 3.5Å; S101-Y104 PolarHBondContact OG-N 3.48Å; S101-Y104 VanDerWaalsContact OG-N 3.11Å; S101-R105 PolarHBondContact O-N 3.33Å
102	R	72	Confident	62.5	Low	164 Å²	164	133.1 Å²	133.1	62%	0.619	61%	0.611	S	S	*	*	H	α-helix	trans	-52.6	-34.3	176.5	-175.1	179.9	-177.3	-124.1	14.2	111.5	R106	R102-R106 VanDerWaalsContact CZ-CZ 3.46Å; R102-R106 VanDerWaalsContact CZ-NH1 3.26Å; R102-R106 VanDerWaalsContact NH2-NH1 3.17Å; R102-R106 VanDerWaalsContact NH2-NH2 3.16Å; R102-R106 WeakPolarHBondContact O-CB 3.31Å; R102-R106 WeakPolarHBondContact O-CG 3.46Å; R102-R106 PolarHBondContact O-N 3.03Å
103	R	73.6	Confident	63.5	Low	223 Å²	223	127.3 Å²	127.3	84%	0.842	58%	0.579	S	S	*	*	H	α-helix	trans	-65	-46	175.1	-167.2	176.6	-176.5	178.8	0.4	111.6	S101 R106 R107	S101-R103 PolarHBondContact O-N 2.99Å; S101-R103 VanDerWaalsContact O-N 3.09Å; R103-R106 PolarHBondContact O-N 3.33Å; R103-R107 PolarHBondContact O-N 2.95Å
104	Y	72.8	Confident	64.5	Low	78 Å²	78	122.5 Å²	122.5	31%	0.306	56%	0.56	S	S	.	*	H	α-helix	trans	-61.4	-45.6	175.9	-178.8	-87.5	0	0	0	112.2	K100 S101 R106 R107 R110	K100-Y104 HydrophobicContact CB-CD1 3.56Å; K100-Y104 HydrophobicContact CB-CE1 4.23Å; K100-Y104 HydrophobicContact CB-CG 4.07Å; K100-Y104 HydrophobicContact CD-CD1 3.37Å; K100-Y104 HydrophobicContact CD-CE1 3.1Å; K100-Y104 HydrophobicContact CD-CE2 4.37Å; K100-Y104 HydrophobicContact CD-CG 4.13Å; K100-Y104 HydrophobicContact CG-CD1 4.08Å; K100-Y104 HydrophobicContact CG-CE1 4.26Å; K100-Y104 PolarHBondContact NZ-OH 3.16Å; K100-Y104 VanDerWaalsContact NZ-OH 3.07Å; S101-Y104 WeakPolarHBondContact O-CA 3.36Å; S101-Y104 WeakPolarHBondContact O-CB 3.41Å; S101-Y104 PolarHBondContact O-N 3.44Å; S101-Y104 WeakPolarHBondContact OG-CB 3.5Å; S101-Y104 PolarHBondContact OG-N 3.48Å; S101-Y104 VanDerWaalsContact OG-N 3.11Å; Y104-R106 PolarHBondContact O-N 2.96Å; Y104-R106 VanDerWaalsContact O-N 3.17Å; Y104-R107 PolarHBondContact O-N 3.09Å; Y104-R110 VanDerWaalsContact CD1-NH1 3.28Å
105	R	69.4	Low	65.1	Low	115 Å²	115	114.1 Å²	114.1	43%	0.434	52%	0.521	S	S	.	.	H	α-helix	trans	-62.5	-21.6	178.9	-76	-170.7	-79.9	158.6	-4.3	113.9	K100 S101	K100-R105 PolarHBondContact O-NE 3.24Å; K100-R105 VanDerWaalsContact O-NE 3.1Å; S101-R105 PolarHBondContact O-N 3.33Å
106	R	70.1	Confident	65.6	Low	144 Å²	144	107 Å²	107	54%	0.543	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	7.9	-177.3	-70.8	-178.5	171.6	-161.1	-5.2	114.1	R102 R103 Y104 T108	R102-R106 VanDerWaalsContact CZ-CZ 3.46Å; R102-R106 VanDerWaalsContact CZ-NH1 3.26Å; R102-R106 VanDerWaalsContact NH2-NH1 3.17Å; R102-R106 VanDerWaalsContact NH2-NH2 3.16Å; R102-R106 WeakPolarHBondContact O-CB 3.31Å; R102-R106 WeakPolarHBondContact O-CG 3.46Å; R102-R106 PolarHBondContact O-N 3.03Å; R103-R106 PolarHBondContact O-N 3.33Å; Y104-R106 PolarHBondContact O-N 2.96Å; Y104-R106 VanDerWaalsContact O-N 3.17Å; R106-T108 PolarHBondContact O-N 3.26Å
107	R	71.1	Confident	65.9	Low	158 Å²	158	106.1 Å²	106.1	60%	0.596	48%	0.477	S	S	*	.			trans	-58.6	135.5	172.2	-78.5	-174.8	175.7	174.8	-1.1	109.9	R103 Y104 L109 R110 L111	R103-R107 PolarHBondContact O-N 2.95Å; Y104-R107 PolarHBondContact O-N 3.09Å; R107-L109 PolarHBondContact O-N 3.08Å; R107-R110 HydrophobicContact CB-CB 4.49Å; R107-R110 PolarHBondContact O-N 3.34Å; R107-R110 VanDerWaalsContact O-N 3.07Å; R107-L111 PolarHBondContact O-N 2.94Å; R107-L111 VanDerWaalsContact O-N 3.17Å
108	T	65.9	Low	65.8	Low	94 Å²	94	100.9 Å²	100.9	58%	0.577	45%	0.446	S	S	*	.	H	α-helix	trans	-52.2	-52.5	-177.4	-51	0	0	0	0	111.3	R106 R110 L111 L112	R106-T108 PolarHBondContact O-N 3.26Å; T108-R110 VanDerWaalsContact C-N 3.27Å; T108-R110 PolarHBondContact O-N 2.61Å; T108-L111 WeakPolarHBondContact O-CB 3.44Å; T108-L111 PolarHBondContact O-N 3.36Å; T108-L112 HydrophobicContact CG2-CD1 4.07Å; T108-L112 HydrophobicContact CG2-CG 4.42Å; T108-L112 VanDerWaalsContact O-CG 3.3Å; T108-L112 WeakPolarHBondContact O-CG 3.49Å; T108-L112 PolarHBondContact O-N 3.39Å
109	L	62.9	Low	65.6	Low	99 Å²	99	93.1 Å²	93.1	52%	0.518	42%	0.416	S	S	.	.	H	α-helix	trans	-55.4	-36.6	178.5	-66	174.7	0	0	0	113.8	R107 L112 A113	R107-L109 PolarHBondContact O-N 3.08Å; L109-L112 HydrophobicContact CD2-CD1 4.25Å; L109-L112 WeakPolarHBondContact O-CB 3.5Å; L109-L112 PolarHBondContact O-N 3.48Å; L109-A113 WeakPolarHBondContact O-CB 3.37Å; L109-A113 PolarHBondContact O-N 2.9Å
110	R	67.8	Low	64.9	Low	107 Å²	107	90.3 Å²	90.3	40%	0.404	40%	0.401	S	S	.	.	H	α-helix	trans	-70.7	-40.2	177.2	-176	179.6	174	164	2.5	112	Y104 R107 T108 L112 M114	Y104-R110 VanDerWaalsContact CD1-NH1 3.28Å; R107-R110 HydrophobicContact CB-CB 4.49Å; R107-R110 PolarHBondContact O-N 3.34Å; R107-R110 VanDerWaalsContact O-N 3.07Å; T108-R110 VanDerWaalsContact C-N 3.27Å; T108-R110 PolarHBondContact O-N 2.61Å; R110-L112 PolarHBondContact O-N 2.83Å; R110-M114 WeakPolarHBondContact O-CB 3.3Å; R110-M114 PolarHBondContact O-N 2.74Å
111	L	64	Low	63.7	Low	46 Å²	46	87.4 Å²	87.4	24%	0.241	39%	0.393	C	S	.	.	H	α-helix	trans	-64.7	-34.8	175	-66.8	174.5	0	0	0	110.7	R107 T108 M114 H115 I140	R107-L111 PolarHBondContact O-N 2.94Å; R107-L111 VanDerWaalsContact O-N 3.17Å; T108-L111 WeakPolarHBondContact O-CB 3.44Å; T108-L111 PolarHBondContact O-N 3.36Å; L111-M114 PolarHBondContact O-N 3.16Å; L111-H115 PolarHBondContact O-N 2.9Å; L111-I140 HydrophobicContact CB-CD1 4.19Å
112	L	61.7	Low	62.5	Low	12 Å²	12	86.3 Å²	86.3	6%	0.063	38%	0.381	C	S	.	.	H	α-helix	trans	-65.8	-53	174.2	-64.5	173.1	0	0	0	112.3	T108 L109 R110 M114 H115 A116 L494 L498	T108-L112 HydrophobicContact CG2-CD1 4.07Å; T108-L112 HydrophobicContact CG2-CG 4.42Å; T108-L112 VanDerWaalsContact O-CG 3.3Å; T108-L112 WeakPolarHBondContact O-CG 3.49Å; T108-L112 PolarHBondContact O-N 3.39Å; L109-L112 HydrophobicContact CD2-CD1 4.25Å; L109-L112 WeakPolarHBondContact O-CB 3.5Å; L109-L112 PolarHBondContact O-N 3.48Å; R110-L112 PolarHBondContact O-N 2.83Å; L112-M114 PolarHBondContact O-N 2.82Å; L112-H115 PolarHBondContact O-N 3.38Å; L112-A116 PolarHBondContact O-N 3.08Å; L112-L494 HydrophobicContact CB-CB 4.45Å; L112-L494 HydrophobicContact CB-CD1 4.36Å; L112-L498 HydrophobicContact CD1-CD1 4.22Å; L112-L498 HydrophobicContact CD2-CD1 3.21Å; L112-L498 HydrophobicContact CD2-CD2 3.29Å; L112-L498 HydrophobicContact CD2-CG 3.35Å; L112-L498 HydrophobicContact CG-CD1 4.32Å
113	A	60.2	Low	61.4	Low	30 Å²	30	85.4 Å²	85.4	25%	0.248	38%	0.382	C	S	.	.	H	α-helix	trans	-57.2	-34	175.2	0	0	0	0	0	111.8	L109 R117	L109-A113 WeakPolarHBondContact O-CB 3.37Å; L109-A113 PolarHBondContact O-N 2.9Å; A113-R117 WeakPolarHBondContact O-CB 2.99Å; A113-R117 VanDerWaalsContact O-CD 3.26Å; A113-R117 WeakPolarHBondContact O-CD 3.45Å; A113-R117 WeakPolarHBondContact O-CG 3.46Å; A113-R117 PolarHBondContact O-N 2.57Å
114	M	63.5	Low	60.1	Low	90 Å²	90	82.4 Å²	82.4	44%	0.443	38%	0.377	S	S	.	.	H	α-helix	trans	-68.4	-45.1	175.4	-165.6	175.5	-146.2	0	0	111.8	R110 L111 L112 R117 F118 W135	R110-M114 WeakPolarHBondContact O-CB 3.3Å; R110-M114 PolarHBondContact O-N 2.74Å; L111-M114 PolarHBondContact O-N 3.16Å; L112-M114 PolarHBondContact O-N 2.82Å; M114-R117 PolarHBondContact O-N 3.01Å; M114-F118 HydrophobicContact CE-CE2 4.32Å; M114-F118 HydrophobicContact CG-CD2 4.19Å; M114-F118 HydrophobicContact CG-CE2 3.79Å; M114-F118 WeakPolarHBondContact O-CD2 3.44Å; M114-F118 PolarHBondContact O-N 3.17Å; M114-W135 HydrophobicContact CG-CH2 4.39Å; M114-W135 HydrophobicContact CG-CZ3 4.43Å; M114-W135 HydrophobicContact SD-CH2 4.36Å
115	H	61.5	Low	58.7	Low	5 Å²	5	82.8 Å²	82.8	2%	0.023	39%	0.385	C	S	.	.	H	α-helix	trans	-64	-49.1	178.8	-173.3	-96.5	0	0	0	112	L111 L112 R117 F118 V119 L136 P137 I140	L111-H115 PolarHBondContact O-N 2.9Å; L112-H115 PolarHBondContact O-N 3.38Å; H115-R117 VanDerWaalsContact C-N 3.27Å; H115-R117 PolarHBondContact O-N 3.38Å; H115-F118 PolarHBondContact O-N 3.26Å; H115-F118 VanDerWaalsContact O-N 3.14Å; H115-V119 PolarHBondContact O-N 2.9Å; H115-L136 PolarHBondContact NE2-O 2.96Å; H115-P137 PolarHBondContact NE2-O 2.94Å; H115-I140 HydrophobicContact CB-CD1 3.82Å
116	A	59.8	Low	57.6	Low	7 Å²	7	84 Å²	84	6%	0.058	40%	0.399	C	S	.	.	H	α-helix	trans	-57	-39.4	175.6	0	0	0	0	0	112.8	L112 F118 V119 I120 P486 L494	L112-A116 PolarHBondContact O-N 3.08Å; A116-F118 PolarHBondContact O-N 3.15Å; A116-V119 PolarHBondContact O-N 3.49Å; A116-I120 WeakPolarHBondContact O-CG1 3.3Å; A116-I120 PolarHBondContact O-N 3.31Å; A116-P486 HydrophobicContact CB-CG 3.85Å; A116-L494 HydrophobicContact CB-CD2 3.38Å
117	R	57.5	Low	56.4	Low	176 Å²	176	85.5 Å²	85.5	66%	0.664	41%	0.412	S	S	*	.	H	α-helix	trans	-62.4	-42.1	176.8	-76.9	168.6	-169.3	-162.6	0.3	112.9	A113 M114 H115 V119 I120 T121	A113-R117 WeakPolarHBondContact O-CB 2.99Å; A113-R117 VanDerWaalsContact O-CD 3.26Å; A113-R117 WeakPolarHBondContact O-CD 3.45Å; A113-R117 WeakPolarHBondContact O-CG 3.46Å; A113-R117 PolarHBondContact O-N 2.57Å; M114-R117 PolarHBondContact O-N 3.01Å; H115-R117 VanDerWaalsContact C-N 3.27Å; H115-R117 PolarHBondContact O-N 3.38Å; R117-V119 PolarHBondContact O-N 2.81Å; R117-I120 PolarHBondContact O-N 3.26Å; R117-T121 WeakPolarHBondContact O-CG2 3.35Å; R117-T121 PolarHBondContact O-N 3.18Å; R117-T121 VanDerWaalsContact O-N 3.08Å; R117-T121 PolarHBondContact O-OG1 3.32Å; R117-T121 VanDerWaalsContact O-OG1 3.14Å
118	F	58.1	Low	55.2	Low	42 Å²	42	86.3 Å²	86.3	18%	0.184	43%	0.428	C	S	.	.	H	α-helix	trans	-66.7	-22.5	-179.6	-82.8	-73.2	0	0	0	113.3	M114 H115 A116 K132 W135	M114-F118 HydrophobicContact CE-CE2 4.32Å; M114-F118 HydrophobicContact CG-CD2 4.19Å; M114-F118 HydrophobicContact CG-CE2 3.79Å; M114-F118 WeakPolarHBondContact O-CD2 3.44Å; M114-F118 PolarHBondContact O-N 3.17Å; H115-F118 PolarHBondContact O-N 3.26Å; H115-F118 VanDerWaalsContact O-N 3.14Å; A116-F118 PolarHBondContact O-N 3.15Å; F118-K132 HydrophobicContact CE1-CD 4.19Å; F118-W135 HydrophobicContact CB-CD2 4.21Å; F118-W135 HydrophobicContact CB-CE3 4.31Å; F118-W135 HydrophobicContact CB-CG 4.32Å; F118-W135 AromaticContact CD2-CD2 3.82Å; F118-W135 HydrophobicContact CD2-CD2 3.82Å; F118-W135 AromaticContact CD2-CE2 3.83Å; F118-W135 AromaticContact CD2-CE3 3.62Å; F118-W135 HydrophobicContact CD2-CE3 3.62Å; F118-W135 AromaticContact CD2-CH2 3.56Å; F118-W135 HydrophobicContact CD2-CH2 3.56Å; F118-W135 AromaticContact CD2-CZ2 3.72Å; F118-W135 HydrophobicContact CD2-CZ2 3.72Å; F118-W135 AromaticContact CD2-CZ3 3.49Å; F118-W135 HydrophobicContact CD2-CZ3 3.49Å; F118-W135 VanDerWaalsContact CD2-CZ3 3.49Å; F118-W135 HydrophobicContact CE1-CZ2 4.33Å; F118-W135 HydrophobicContact CE2-CD2 4.37Å; F118-W135 AromaticContact CE2-CE2 3.92Å; F118-W135 HydrophobicContact CE2-CE3 4.25Å; F118-W135 AromaticContact CE2-CH2 3.29Å; F118-W135 HydrophobicContact CE2-CH2 3.29Å; F118-W135 AromaticContact CE2-CZ2 3.39Å; F118-W135 HydrophobicContact CE2-CZ2 3.39Å; F118-W135 AromaticContact CE2-CZ3 3.75Å; F118-W135 HydrophobicContact CE2-CZ3 3.75Å; F118-W135 AromaticContact CG-CD2 3.96Å; F118-W135 HydrophobicContact CG-CD2 3.96Å; F118-W135 HydrophobicContact CG-CE3 4.14Å; F118-W135 HydrophobicContact CG-CG 4.4Å; F118-W135 HydrophobicContact CG-CZ2 4.36Å; F118-W135 HydrophobicContact CG-CZ3 4.43Å; F118-W135 HydrophobicContact CZ-CH2 4.09Å; F118-W135 AromaticContact CZ-CZ2 3.73Å; F118-W135 HydrophobicContact CZ-CZ2 3.73Å
119	V	54.2	Low	54.3	Low	37 Å²	37	88.4 Å²	88.4	22%	0.224	43%	0.429	C	S	.	.	H	α-helix	trans	-77.7	-40.5	176.1	-179.7	0	0	0	0	111.1	H115 A116 R117 F485	H115-V119 PolarHBondContact O-N 2.9Å; A116-V119 PolarHBondContact O-N 3.49Å; R117-V119 PolarHBondContact O-N 2.81Å; V119-F485 HydrophobicContact CG1-CD1 3.38Å; V119-F485 HydrophobicContact CG1-CE1 3.21Å
120	I	50.2	Low	53.7	Low	77 Å²	77	93 Å²	93	40%	0.395	45%	0.445	S	S	.	.	H	α-helix	trans	-76.8	-40.4	-176.4	-61.5	165.7	0	0	0	112.3	A116 R117 N122 K123 P486	A116-I120 WeakPolarHBondContact O-CG1 3.3Å; A116-I120 PolarHBondContact O-N 3.31Å; R117-I120 PolarHBondContact O-N 3.26Å; I120-N122 PolarHBondContact O-N 2.88Å; I120-K123 PolarHBondContact O-N 3.28Å; I120-P486 HydrophobicContact CD1-CG 4.2Å
121	T	47.7	Very low	53.3	Low	57 Å²	57	97.2 Å²	97.2	35%	0.35	47%	0.469	S	S	.	.	H	α-helix	trans	-67.9	-12.2	-160.9	50.9	0	0	0	0	116.3	R117	R117-T121 WeakPolarHBondContact O-CG2 3.35Å; R117-T121 PolarHBondContact O-N 3.18Å; R117-T121 VanDerWaalsContact O-N 3.08Å; R117-T121 PolarHBondContact O-OG1 3.32Å; R117-T121 VanDerWaalsContact O-OG1 3.14Å
122	N	49.2	Very low	53.7	Low	52 Å²	52	100.5 Å²	100.5	28%	0.278	48%	0.481	S	S	.	.	H	α-helix	trans	-94.2	-10	-179	-74.8	-1	0	0	0	114	I120 K132 F134	I120-N122 PolarHBondContact O-N 2.88Å; N122-K132 PolarHBondContact ND2-O 2.79Å; N122-F134 HydrophobicContact CB-CD1 4.33Å; N122-F134 HydrophobicContact CB-CE1 3.38Å; N122-F134 HydrophobicContact CB-CZ 3.48Å; N122-F134 VanDerWaalsContact CB-CZ 3.48Å; N122-F134 WeakPolarHBondContact ND2-CD1 3.17Å; N122-F134 WeakPolarHBondContact ND2-CE1 3.48Å; N122-F134 WeakPolarHBondContact ND2-CZ 3.28Å
123	K	49.1	Very low	54.6	Low	145 Å²	145	101.1 Å²	101.1	63%	0.63	49%	0.486	S	S	*	.	H	α-helix	trans	-84.3	-23.4	176.3	-103.6	-172.6	177.2	-173.9	0	114.2	I120 Y309	I120-K123 PolarHBondContact O-N 3.28Å; K123-Y309 PolarHBondContact NZ-OH 2.88Å
124	H	46.2	Very low	55.6	Low	159 Å²	159	103.3 Å²	103.3	74%	0.736	49%	0.491	S	S	*	.	H	α-helix	trans	-118.6	-14.5	-168.3	-81.6	-67.9	0	0	0	117.1
125	D	43.5	Very low	56.6	Low	87 Å²	87	101.1 Å²	101.1	47%	0.465	48%	0.477	S	S	.	.			trans	-107.6	79.2	-175.8	-79.7	-11.5	0	0	0	111.5	H127 K129	D125-H127 PolarHBondContact O-N 3.49Å; D125-K129 IonicContact OD2-NZ 3.7Å; D125-K129 PolarHBondContact OD2-NZ 2.84Å
126	N	45.2	Very low	57.9	Low	139 Å²	139	100.9 Å²	100.9	74%	0.743	48%	0.476	S	S	*	.			trans	-77	-6.8	-169.4	-99.2	-3	0	0	0	117.3
127	H	44.7	Very low	59.1	Low	177 Å²	177	100.9 Å²	100.9	82%	0.819	48%	0.475	S	S	*	.	S	Bend	trans	-121.3	-21.7	-164.2	-78.3	-13.6	0	0	0	120.7	D125	D125-H127 PolarHBondContact O-N 3.49Å
128	L	46.1	Very low	60.5	Low	175 Å²	175	92.5 Å²	92.5	92%	0.916	44%	0.444	S	S	*	.	S	Bend	trans	-146.1	9.4	-172.1	-87.9	142.6	0	0	0	117
129	K	47.3	Very low	62	Low	137 Å²	137	91.2 Å²	91.2	60%	0.596	44%	0.438	S	S	*	.	S	Bend	trans	-106.9	118.2	179	-75.9	172.7	-172.2	159.6	0	110.2	D125 E131	D125-K129 IonicContact OD2-NZ 3.7Å; D125-K129 PolarHBondContact OD2-NZ 2.84Å; K129-E131 PolarHBondContact O-N 3.02Å
130	K	50.2	Low	63.3	Low	197 Å²	197	90.3 Å²	90.3	86%	0.857	43%	0.432	S	S	*	.			trans	-27.9	115.1	161.2	-70.3	178.8	177.5	179.4	0	108.9	K132	K130-K132 WeakPolarHBondContact O-CG 3.48Å; K130-K132 PolarHBondContact O-N 3.44Å
131	E	60	Low	65.1	Low	194 Å²	194	87.4 Å²	87.4	91%	0.907	42%	0.416	S	S	*	.			trans	-48.1	101	-177.6	-72.8	-173.7	158.7	0	0	109.6	K129 S133	K129-E131 PolarHBondContact O-N 3.02Å; E131-S133 PolarHBondContact O-N 3.15Å
132	K	71.2	Confident	67.3	Low	116 Å²	116	84.7 Å²	84.7	50%	0.504	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-78.1	123.7	179.8	-75.7	-177.1	-176.2	170.9	0	106.5	F118 N122 K130 F134	F118-K132 HydrophobicContact CE1-CD 4.19Å; N122-K132 PolarHBondContact ND2-O 2.79Å; K130-K132 WeakPolarHBondContact O-CG 3.48Å; K130-K132 PolarHBondContact O-N 3.44Å; K132-F134 PolarHBondContact O-N 3.18Å
133	S	81.9	Confident	69.3	Low	25 Å²	25	84.5 Å²	84.5	18%	0.175	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-58.2	136	178.2	-43.7	0	0	0	0	111.6	E131 T150 G153	E131-S133 PolarHBondContact O-N 3.15Å; S133-T150 WeakPolarHBondContact OG-CG2 3.41Å; S133-T150 PolarHBondContact OG-OG1 2.89Å; S133-G153 CarbonylContact C-O 3.47Å; S133-G153 WeakPolarHBondContact CA-O 3.2Å; S133-G153 WeakPolarHBondContact CB-O 3.34Å
134	F	80.7	Confident	71.1	Confident	76 Å²	76	84 Å²	84	33%	0.333	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	149.8	176.7	-65.9	-83.2	0	0	0	112.1	N122 K132 G153 W154 R155	N122-F134 HydrophobicContact CB-CD1 4.33Å; N122-F134 HydrophobicContact CB-CE1 3.38Å; N122-F134 HydrophobicContact CB-CZ 3.48Å; N122-F134 VanDerWaalsContact CB-CZ 3.48Å; N122-F134 WeakPolarHBondContact ND2-CD1 3.17Å; N122-F134 WeakPolarHBondContact ND2-CE1 3.48Å; N122-F134 WeakPolarHBondContact ND2-CZ 3.28Å; K132-F134 PolarHBondContact O-N 3.18Å; F134-G153 WeakPolarHBondContact CD2-O 3.34Å; F134-G153 PolarHBondContact N-O 3.14Å; F134-W154 HydrophobicContact CB-CD2 3.71Å; F134-W154 HydrophobicContact CB-CE3 3.4Å; F134-W154 HydrophobicContact CB-CG 4.4Å; F134-W154 HydrophobicContact CB-CH2 4.06Å; F134-W154 HydrophobicContact CB-CZ2 4.34Å; F134-W154 HydrophobicContact CB-CZ3 3.59Å; F134-W154 CarbonylContact O-C 3.57Å; F134-W154 WeakPolarHBondContact O-CA 3.5Å; F134-R155 PolarHBondContact O-N 2.67Å
135	W	85.4	Confident	73.2	Confident	44 Å²	44	81.2 Å²	81.2	17%	0.167	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.4	177	-75.5	11.6	0	0	0	110.7	M114 F118 H139	M114-W135 HydrophobicContact CG-CH2 4.39Å; M114-W135 HydrophobicContact CG-CZ3 4.43Å; M114-W135 HydrophobicContact SD-CH2 4.36Å; F118-W135 HydrophobicContact CB-CD2 4.21Å; F118-W135 HydrophobicContact CB-CE3 4.31Å; F118-W135 HydrophobicContact CB-CG 4.32Å; F118-W135 AromaticContact CD2-CD2 3.82Å; F118-W135 HydrophobicContact CD2-CD2 3.82Å; F118-W135 AromaticContact CD2-CE2 3.83Å; F118-W135 AromaticContact CD2-CE3 3.62Å; F118-W135 HydrophobicContact CD2-CE3 3.62Å; F118-W135 AromaticContact CD2-CH2 3.56Å; F118-W135 HydrophobicContact CD2-CH2 3.56Å; F118-W135 AromaticContact CD2-CZ2 3.72Å; F118-W135 HydrophobicContact CD2-CZ2 3.72Å; F118-W135 AromaticContact CD2-CZ3 3.49Å; F118-W135 HydrophobicContact CD2-CZ3 3.49Å; F118-W135 VanDerWaalsContact CD2-CZ3 3.49Å; F118-W135 HydrophobicContact CE1-CZ2 4.33Å; F118-W135 HydrophobicContact CE2-CD2 4.37Å; F118-W135 AromaticContact CE2-CE2 3.92Å; F118-W135 HydrophobicContact CE2-CE3 4.25Å; F118-W135 AromaticContact CE2-CH2 3.29Å; F118-W135 HydrophobicContact CE2-CH2 3.29Å; F118-W135 AromaticContact CE2-CZ2 3.39Å; F118-W135 HydrophobicContact CE2-CZ2 3.39Å; F118-W135 AromaticContact CE2-CZ3 3.75Å; F118-W135 HydrophobicContact CE2-CZ3 3.75Å; F118-W135 AromaticContact CG-CD2 3.96Å; F118-W135 HydrophobicContact CG-CD2 3.96Å; F118-W135 HydrophobicContact CG-CE3 4.14Å; F118-W135 HydrophobicContact CG-CG 4.4Å; F118-W135 HydrophobicContact CG-CZ2 4.36Å; F118-W135 HydrophobicContact CG-CZ3 4.43Å; F118-W135 HydrophobicContact CZ-CH2 4.09Å; F118-W135 AromaticContact CZ-CZ2 3.73Å; F118-W135 HydrophobicContact CZ-CZ2 3.73Å; W135-H139 HydrophobicContact CB-CB 3.83Å; W135-H139 AromaticContact CD1-CE1 3.8Å; W135-H139 AromaticContact CD1-ND1 3.89Å; W135-H139 HydrophobicContact CD2-CB 4.38Å; W135-H139 AromaticContact CD2-CD2 3.33Å; W135-H139 AromaticContact CD2-CG 3.72Å; W135-H139 AromaticContact CD2-NE2 3.64Å; W135-H139 AromaticContact CE2-CD2 3.66Å; W135-H139 AromaticContact CE2-CE1 3.94Å; W135-H139 AromaticContact CE2-NE2 3.43Å; W135-H139 HydrophobicContact CE3-CB 4.44Å; W135-H139 AromaticContact CE3-CD2 3.5Å; W135-H139 HydrophobicContact CG-CB 4.16Å; W135-H139 AromaticContact CG-CD2 3.77Å; W135-H139 AromaticContact CG-CE1 3.99Å; W135-H139 AromaticContact CG-CG 3.64Å; W135-H139 AromaticContact CG-ND1 3.78Å; W135-H139 AromaticContact CZ2-NE2 3.77Å; W135-H139 AromaticContact CZ3-CD2 3.94Å; W135-H139 AromaticContact NE1-CE1 3.76Å; W135-H139 AromaticContact NE1-NE2 3.72Å
136	L	87.9	Confident	75.8	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	37%	0.366	C	S	.	.			trans	-59.5	154.4	167.3	-67.7	176.8	0	0	0	111.4	H115 T138 H139 W154 L156 P157 D180	H115-L136 PolarHBondContact NE2-O 2.96Å; L136-T138 PolarHBondContact O-N 3.14Å; L136-T138 VanDerWaalsContact O-N 3.16Å; L136-H139 HydrophobicContact CB-CB 4.42Å; L136-H139 WeakPolarHBondContact O-CB 3.24Å; L136-H139 PolarHBondContact O-N 3.03Å; L136-W154 HydrophobicContact CD2-CE3 4.15Å; L136-W154 HydrophobicContact CD2-CZ3 4.48Å; L136-L156 HydrophobicContact CD1-CD2 3.72Å; L136-L156 HydrophobicContact CD2-CD2 3.92Å; L136-L156 HydrophobicContact CG-CD2 3.85Å; L136-P157 HydrophobicContact CD1-CG 4.47Å; L136-D180 HydrophobicContact CD1-CB 4.26Å
137	P	84.3	Confident	78.3	Confident	6 Å²	6	76.3 Å²	76.3	4%	0.039	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-36.1	171.8	-27.8	37.7	0	0	0	112.7	H115 C311 R483 A500	H115-P137 PolarHBondContact NE2-O 2.94Å; P137-C311 HydrophobicContact CB-CB 4.31Å; P137-C311 HydrophobicContact CG-CB 3.68Å; P137-R483 VanDerWaalsContact CG-NE 3.34Å; P137-A500 HydrophobicContact CB-CB 3.64Å
138	T	88.4	Confident	80.7	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	7.3	-179.5	68.1	0	0	0	0	113.7	L136 I140 W141 H142 D180 L313 A500 L504	L136-T138 PolarHBondContact O-N 3.14Å; L136-T138 VanDerWaalsContact O-N 3.16Å; T138-I140 VanDerWaalsContact C-N 3.34Å; T138-I140 PolarHBondContact O-N 3.48Å; T138-W141 WeakPolarHBondContact O-CA 3.44Å; T138-W141 WeakPolarHBondContact O-CB 3.31Å; T138-W141 PolarHBondContact O-N 3.27Å; T138-H142 WeakPolarHBondContact CB-ND1 3.26Å; T138-H142 PolarHBondContact O-N 3.08Å; T138-H142 VanDerWaalsContact O-N 3.1Å; T138-H142 PolarHBondContact O-ND1 3.29Å; T138-H142 PolarHBondContact OG1-CE1 3.3Å; T138-H142 PolarHBondContact OG1-ND1 3.43Å; T138-D180 WeakPolarHBondContact CB-OD2 3.19Å; T138-D180 WeakPolarHBondContact CG2-OD2 3.42Å; T138-D180 PolarHBondContact OG1-OD2 3.16Å; T138-L313 HydrophobicContact CG2-CD2 4.1Å; T138-A500 HydrophobicContact CG2-CB 4.35Å; T138-L504 HydrophobicContact CG2-CB 4.33Å; T138-L504 HydrophobicContact CG2-CD1 3.76Å
139	H	88	Confident	83	Confident	15 Å²	15	64.1 Å²	64.1	7%	0.069	30%	0.296	C	S	.	.	H	α-helix	trans	-53.5	-43.7	-170.1	-178.6	92.6	0	0	0	113.4	W135 L136 W141 H142 A143	W135-H139 HydrophobicContact CB-CB 3.83Å; W135-H139 AromaticContact CD1-CE1 3.8Å; W135-H139 AromaticContact CD1-ND1 3.89Å; W135-H139 HydrophobicContact CD2-CB 4.38Å; W135-H139 AromaticContact CD2-CD2 3.33Å; W135-H139 AromaticContact CD2-CG 3.72Å; W135-H139 AromaticContact CD2-NE2 3.64Å; W135-H139 AromaticContact CE2-CD2 3.66Å; W135-H139 AromaticContact CE2-CE1 3.94Å; W135-H139 AromaticContact CE2-NE2 3.43Å; W135-H139 HydrophobicContact CE3-CB 4.44Å; W135-H139 AromaticContact CE3-CD2 3.5Å; W135-H139 HydrophobicContact CG-CB 4.16Å; W135-H139 AromaticContact CG-CD2 3.77Å; W135-H139 AromaticContact CG-CE1 3.99Å; W135-H139 AromaticContact CG-CG 3.64Å; W135-H139 AromaticContact CG-ND1 3.78Å; W135-H139 AromaticContact CZ2-NE2 3.77Å; W135-H139 AromaticContact CZ3-CD2 3.94Å; W135-H139 AromaticContact NE1-CE1 3.76Å; W135-H139 AromaticContact NE1-NE2 3.72Å; L136-H139 HydrophobicContact CB-CB 4.42Å; L136-H139 WeakPolarHBondContact O-CB 3.24Å; L136-H139 PolarHBondContact O-N 3.03Å; H139-W141 PolarHBondContact O-N 3.31Å; H139-H142 PolarHBondContact O-N 3.14Å; H139-A143 VanDerWaalsContact O-CB 3.24Å; H139-A143 WeakPolarHBondContact O-CB 3.47Å; H139-A143 PolarHBondContact O-N 3.07Å
140	I	82.9	Confident	85.2	Confident	19 Å²	19	60.9 Å²	60.9	10%	0.097	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-32.4	179.2	-67.6	167.1	0	0	0	111.9	L111 H115 T138	L111-I140 HydrophobicContact CB-CD1 4.19Å; H115-I140 HydrophobicContact CB-CD1 3.82Å; T138-I140 VanDerWaalsContact C-N 3.34Å; T138-I140 PolarHBondContact O-N 3.48Å
141	W	87.8	Confident	87.2	Confident	16 Å²	16	53.4 Å²	53.4	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-77.1	-45.4	178.1	-174.5	102.7	0	0	0	111.2	T138 H139 R145 F146 R501 L504 V508 V514	T138-W141 WeakPolarHBondContact O-CA 3.44Å; T138-W141 WeakPolarHBondContact O-CB 3.31Å; T138-W141 PolarHBondContact O-N 3.27Å; H139-W141 PolarHBondContact O-N 3.31Å; W141-R145 VanDerWaalsContact CD1-NH1 3.32Å; W141-R145 PolarHBondContact O-NH1 3.01Å; W141-F146 HydrophobicContact CE3-CE2 4.47Å; W141-F146 HydrophobicContact CH2-CE2 4.01Å; W141-F146 HydrophobicContact CZ3-CD2 4.22Å; W141-F146 AromaticContact CZ3-CE2 3.51Å; W141-F146 HydrophobicContact CZ3-CE2 3.51Å; W141-F146 HydrophobicContact CZ3-CZ 4.33Å; W141-R501 HydrophobicContact CB-CG 4.24Å; W141-L504 HydrophobicContact CB-CD2 4.5Å; W141-L504 HydrophobicContact CD2-CD2 3.26Å; W141-L504 HydrophobicContact CE3-CD1 4.21Å; W141-L504 HydrophobicContact CE3-CD2 3.57Å; W141-L504 HydrophobicContact CG-CD2 3.68Å; W141-L504 HydrophobicContact CH2-CD2 4.03Å; W141-L504 HydrophobicContact CZ2-CD2 3.73Å; W141-L504 HydrophobicContact CZ3-CD1 4.46Å; W141-L504 HydrophobicContact CZ3-CD2 3.93Å; W141-V508 HydrophobicContact CH2-CG2 4.24Å; W141-V508 HydrophobicContact CZ2-CG1 4.44Å; W141-V508 HydrophobicContact CZ2-CG2 3.77Å; W141-V514 HydrophobicContact CH2-CB 3.77Å; W141-V514 HydrophobicContact CH2-CG1 4.12Å; W141-V514 HydrophobicContact CH2-CG2 3.52Å; W141-V514 HydrophobicContact CZ2-CG2 4.28Å; W141-V514 HydrophobicContact CZ3-CB 3.98Å; W141-V514 HydrophobicContact CZ3-CG1 3.8Å; W141-V514 HydrophobicContact CZ3-CG2 4.03Å
142	H	93.1	Very high	88.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.8	-45.8	179.5	-77.3	101.9	0	0	0	112.7	T138 H139 K144 R145 F146 M148 P157 V514	T138-H142 WeakPolarHBondContact CB-ND1 3.26Å; T138-H142 PolarHBondContact O-N 3.08Å; T138-H142 VanDerWaalsContact O-N 3.1Å; T138-H142 PolarHBondContact O-ND1 3.29Å; T138-H142 PolarHBondContact OG1-CE1 3.3Å; T138-H142 PolarHBondContact OG1-ND1 3.43Å; H139-H142 PolarHBondContact O-N 3.14Å; H142-K144 PolarHBondContact O-N 3.04Å; H142-R145 CarbonylContact O-C 3.6Å; H142-R145 PolarHBondContact O-N 3.28Å; H142-F146 HydrophobicContact CB-CD2 4.38Å; H142-F146 AromaticContact CD2-CD2 3.6Å; H142-F146 AromaticContact CD2-CE2 3.69Å; H142-F146 WeakPolarHBondContact O-CB 3.1Å; H142-F146 PolarHBondContact O-N 3.29Å; H142-M148 HydrophobicContact CB-CE 4.27Å; H142-M148 HydrophobicContact CB-SD 3.83Å; H142-P157 HydrophobicContact CB-CB 4.14Å; H142-P157 HydrophobicContact CB-CG 4.47Å; H142-V514 WeakPolarHBondContact NE2-CG1 3.4Å
143	A	90.3	Very high	89.4	Confident	48 Å²	48	43.3 Å²	43.3	40%	0.397	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.7	-176.8	0	0	0	0	0	114.7	H139 M148	H139-A143 VanDerWaalsContact O-CB 3.24Å; H139-A143 WeakPolarHBondContact O-CB 3.47Å; H139-A143 PolarHBondContact O-N 3.07Å; A143-M148 HydrophobicContact CB-CG 4.05Å; A143-M148 HydrophobicContact CB-SD 4.47Å
144	K	87.5	Confident	89.8	Confident	134 Å²	134	43 Å²	43	58%	0.583	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-12.9	174.9	-68.1	177.7	-177.6	172.1	0	114.1	H142	H142-K144 PolarHBondContact O-N 3.04Å
145	R	91.2	Very high	90.3	Very high	101 Å²	101	44.1 Å²	44.1	38%	0.381	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-9.8	-166.4	-66.4	174.9	-177.7	80.4	-2.2	113.7	W141 H142 T161	W141-R145 VanDerWaalsContact CD1-NH1 3.32Å; W141-R145 PolarHBondContact O-NH1 3.01Å; H142-R145 CarbonylContact O-C 3.6Å; H142-R145 PolarHBondContact O-N 3.28Å; R145-T161 PolarHBondContact O-N 3.42Å; R145-T161 PolarHBondContact O-OG1 2.97Å
146	F	97.1	Very high	90.8	Very high	12 Å²	12	42 Å²	42	5%	0.053	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.6	-175.2	-73.3	-107.3	0	0	0	110.1	W141 H142 M148 P157 A159 P160 V514	W141-F146 HydrophobicContact CE3-CE2 4.47Å; W141-F146 HydrophobicContact CH2-CE2 4.01Å; W141-F146 HydrophobicContact CZ3-CD2 4.22Å; W141-F146 AromaticContact CZ3-CE2 3.51Å; W141-F146 HydrophobicContact CZ3-CE2 3.51Å; W141-F146 HydrophobicContact CZ3-CZ 4.33Å; H142-F146 HydrophobicContact CB-CD2 4.38Å; H142-F146 AromaticContact CD2-CD2 3.6Å; H142-F146 AromaticContact CD2-CE2 3.69Å; H142-F146 WeakPolarHBondContact O-CB 3.1Å; H142-F146 PolarHBondContact O-N 3.29Å; F146-M148 HydrophobicContact CB-SD 4.11Å; F146-M148 PolarHBondContact O-N 2.93Å; F146-P157 HydrophobicContact CB-CB 3.85Å; F146-P157 HydrophobicContact CD1-CB 3.61Å; F146-P157 HydrophobicContact CE1-CB 4.35Å; F146-P157 HydrophobicContact CG-CB 3.77Å; F146-A159 CarbonylContact C-O 3.55Å; F146-A159 WeakPolarHBondContact CA-O 3.48Å; F146-P160 HydrophobicContact CD1-CB 4.32Å; F146-P160 HydrophobicContact CD1-CG 4.12Å; F146-P160 VanDerWaalsContact CD1-N 3.33Å; F146-P160 HydrophobicContact CE1-CB 3.98Å; F146-P160 HydrophobicContact CE1-CG 3.47Å; F146-P160 VanDerWaalsContact CE1-CG 3.47Å; F146-P160 HydrophobicContact CZ-CB 4.17Å; F146-P160 HydrophobicContact CZ-CG 3.86Å; F146-V514 HydrophobicContact CE2-CG1 4.45Å; F146-V514 HydrophobicContact CZ-CB 4.09Å; F146-V514 HydrophobicContact CZ-CG1 3.99Å; F146-V514 WeakPolarHBondContact CZ-O 3.29Å
147	H	97.5	Very high	91.3	Very high	111 Å²	111	42.5 Å²	42.5	51%	0.514	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	116.2	158.4	-64.4	-71.7	0	0	0	107.7	Y158 A159	H147-Y158 WeakPolarHBondContact O-CB 3.43Å; H147-Y158 PolarHBondContact O-N 3.23Å; H147-A159 PolarHBondContact N-O 2.81Å
148	M	95.5	Very high	91.9	Very high	39 Å²	39	46.9 Å²	46.9	19%	0.192	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.1	-178.3	-60.5	-61.6	-64.8	0	0	110	H142 A143 F146 R155 L156 P157	H142-M148 HydrophobicContact CB-CE 4.27Å; H142-M148 HydrophobicContact CB-SD 3.83Å; A143-M148 HydrophobicContact CB-CG 4.05Å; A143-M148 HydrophobicContact CB-SD 4.47Å; F146-M148 HydrophobicContact CB-SD 4.11Å; F146-M148 PolarHBondContact O-N 2.93Å; M148-R155 WeakPolarHBondContact CE-O 3.43Å; M148-L156 WeakPolarHBondContact CA-O 3.49Å; M148-P157 HydrophobicContact SD-CB 4.1Å
149	I	95.2	Very high	92.2	Very high	56 Å²	56	47.1 Å²	47.1	29%	0.287	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	156.7	175.6	64	171.5	0	0	0	110.4	R155 L156 Y158 L517	I149-R155 CarbonylContact O-C 3.14Å; I149-R155 WeakPolarHBondContact O-CA 3.39Å; I149-L156 PolarHBondContact N-O 3.2Å; I149-L156 PolarHBondContact O-N 2.95Å; I149-Y158 HydrophobicContact CD1-CD2 3.82Å; I149-Y158 HydrophobicContact CD1-CG 4.22Å; I149-Y158 HydrophobicContact CG2-CG 4.27Å; I149-L517 HydrophobicContact CD1-CD1 3.97Å; I149-L517 HydrophobicContact CG1-CD1 4.46Å
150	T	93.5	Very high	92.6	Very high	69 Å²	69	46.9 Å²	46.9	42%	0.423	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	122.3	168.2	-71.6	0	0	0	0	108.1	S133 W154 R155	S133-T150 WeakPolarHBondContact OG-CG2 3.41Å; S133-T150 PolarHBondContact OG-OG1 2.89Å; T150-W154 CarbonylContact C-O 3.37Å; T150-W154 VanDerWaalsContact CA-O 3.27Å; T150-W154 WeakPolarHBondContact CA-O 3.45Å; T150-R155 VanDerWaalsContact OG1-CD 3.3Å; T150-R155 WeakPolarHBondContact OG1-CD 3.43Å; T150-R155 PolarHBondContact OG1-NE 2.81Å; T150-R155 PolarHBondContact OG1-NH2 3.02Å
151	K	91.7	Very high	93	Very high	41 Å²	41	49 Å²	49	18%	0.178	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	139.8	174.6	-153.3	170.5	179.7	169.2	0	110.7	G153 W154 L156 E539	K151-G153 PolarHBondContact O-N 3.37Å; K151-W154 PolarHBondContact N-O 2.96Å; K151-W154 PolarHBondContact O-N 3.1Å; K151-L156 HydrophobicContact CB-CD1 4.45Å; K151-E539 IonicContact NZ-OE1 2.71Å; K151-E539 PolarHBondContact NZ-OE1 3.17Å; K151-E539 IonicContact NZ-OE2 3.34Å
152	W	90.1	Very high	93	Very high	61 Å²	61	53.3 Å²	53.3	23%	0.231	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	37.6	-179.8	-39.1	-65.2	0	0	0	114.7	W154 L156 Y183 H273 P274 L517 Y521 P538	W152-W154 VanDerWaalsContact C-N 3.25Å; W152-W154 PolarHBondContact O-N 3.23Å; W152-L156 HydrophobicContact CE3-CD1 3.59Å; W152-L156 HydrophobicContact CZ3-CD1 3.45Å; W152-L156 VanDerWaalsContact CZ3-CD1 3.45Å; W152-Y183 HydrophobicContact CE3-CD2 4.16Å; W152-Y183 HydrophobicContact CE3-CE2 4.12Å; W152-Y183 HydrophobicContact CZ3-CD2 4.26Å; W152-Y183 AromaticContact CZ3-CE2 3.83Å; W152-Y183 HydrophobicContact CZ3-CE2 3.83Å; W152-H273 AromaticContact CD2-CE1 3.52Å; W152-H273 AromaticContact CD2-NE2 3.86Å; W152-H273 AromaticContact CE2-CE1 3.33Å; W152-H273 AromaticContact CE2-NE2 3.74Å; W152-H273 AromaticContact CE3-CE1 3.86Å; W152-H273 AromaticContact CE3-NE2 3.73Å; W152-H273 AromaticContact CH2-CE1 3.91Å; W152-H273 AromaticContact CH2-NE2 3.45Å; W152-H273 WeakPolarHBondContact CH2-NE2 3.37Å; W152-H273 AromaticContact CZ2-CE1 3.54Å; W152-H273 AromaticContact CZ2-NE2 3.54Å; W152-H273 AromaticContact CZ3-NE2 3.52Å; W152-H273 AromaticContact NE1-CE1 3.72Å; W152-P274 HydrophobicContact CB-CB 3.88Å; W152-P274 HydrophobicContact CB-CG 4.37Å; W152-L517 HydrophobicContact CZ3-CD1 4.41Å; W152-L517 HydrophobicContact CZ3-CD2 4.41Å; W152-Y521 VanDerWaalsContact CH2-OH 3.29Å; W152-Y521 WeakPolarHBondContact CH2-OH 3.45Å; W152-P538 HydrophobicContact CZ2-CG 4.38Å
153	G	86.8	Confident	92.8	Very high	37 Å²	37	63.9 Å²	63.9	38%	0.381	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-4	-175.8	0	0	0	0	0	115	S133 F134 K151	S133-G153 CarbonylContact C-O 3.47Å; S133-G153 WeakPolarHBondContact CA-O 3.2Å; S133-G153 WeakPolarHBondContact CB-O 3.34Å; F134-G153 WeakPolarHBondContact CD2-O 3.34Å; F134-G153 PolarHBondContact N-O 3.14Å; K151-G153 PolarHBondContact O-N 3.37Å
154	W	90.8	Very high	92.6	Very high	18 Å²	18	63.9 Å²	63.9	7%	0.068	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	154.2	-178.4	-65.5	90	0	0	0	113.4	F134 L136 T150 K151 W152 L156 Y183	F134-W154 HydrophobicContact CB-CD2 3.71Å; F134-W154 HydrophobicContact CB-CE3 3.4Å; F134-W154 HydrophobicContact CB-CG 4.4Å; F134-W154 HydrophobicContact CB-CH2 4.06Å; F134-W154 HydrophobicContact CB-CZ2 4.34Å; F134-W154 HydrophobicContact CB-CZ3 3.59Å; F134-W154 CarbonylContact O-C 3.57Å; F134-W154 WeakPolarHBondContact O-CA 3.5Å; L136-W154 HydrophobicContact CD2-CE3 4.15Å; L136-W154 HydrophobicContact CD2-CZ3 4.48Å; T150-W154 CarbonylContact C-O 3.37Å; T150-W154 VanDerWaalsContact CA-O 3.27Å; T150-W154 WeakPolarHBondContact CA-O 3.45Å; K151-W154 PolarHBondContact N-O 2.96Å; K151-W154 PolarHBondContact O-N 3.1Å; W152-W154 VanDerWaalsContact C-N 3.25Å; W152-W154 PolarHBondContact O-N 3.23Å; W154-L156 HydrophobicContact CB-CD1 4.3Å; W154-L156 HydrophobicContact CB-CD2 3.61Å; W154-L156 HydrophobicContact CB-CG 3.8Å; W154-L156 HydrophobicContact CG-CD2 4.4Å; W154-Y183 PolarHBondContact NE1-O 3.16Å
155	R	92.1	Very high	92.8	Very high	99 Å²	99	60.2 Å²	60.2	37%	0.374	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	101.7	165.5	-80.8	-75.3	-175.2	172.2	-9.5	110.7	F134 M148 I149 T150	F134-R155 PolarHBondContact O-N 2.67Å; M148-R155 WeakPolarHBondContact CE-O 3.43Å; I149-R155 CarbonylContact O-C 3.14Å; I149-R155 WeakPolarHBondContact O-CA 3.39Å; T150-R155 VanDerWaalsContact OG1-CD 3.3Å; T150-R155 WeakPolarHBondContact OG1-CD 3.43Å; T150-R155 PolarHBondContact OG1-NE 2.81Å; T150-R155 PolarHBondContact OG1-NH2 3.02Å
156	L	95.5	Very high	92.7	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	147.3	-170.5	-56.5	179.6	0	0	0	112.6	L136 M148 I149 K151 W152 W154 Y158 Y183 L517	L136-L156 HydrophobicContact CD1-CD2 3.72Å; L136-L156 HydrophobicContact CD2-CD2 3.92Å; L136-L156 HydrophobicContact CG-CD2 3.85Å; M148-L156 WeakPolarHBondContact CA-O 3.49Å; I149-L156 PolarHBondContact N-O 3.2Å; I149-L156 PolarHBondContact O-N 2.95Å; K151-L156 HydrophobicContact CB-CD1 4.45Å; W152-L156 HydrophobicContact CE3-CD1 3.59Å; W152-L156 HydrophobicContact CZ3-CD1 3.45Å; W152-L156 VanDerWaalsContact CZ3-CD1 3.45Å; W154-L156 HydrophobicContact CB-CD1 4.3Å; W154-L156 HydrophobicContact CB-CD2 3.61Å; W154-L156 HydrophobicContact CB-CG 3.8Å; W154-L156 HydrophobicContact CG-CD2 4.4Å; L156-Y158 PolarHBondContact O-N 3.48Å; L156-Y183 HydrophobicContact CD1-CD1 4.48Å; L156-Y183 HydrophobicContact CD1-CD2 4.4Å; L156-Y183 HydrophobicContact CD1-CG 4.25Å; L156-Y183 HydrophobicContact CD2-CD1 4.01Å; L156-Y183 HydrophobicContact CD2-CG 3.96Å; L156-L517 HydrophobicContact CB-CD1 3.83Å; L156-L517 HydrophobicContact CD1-CD1 3.86Å; L156-L517 HydrophobicContact CG-CD1 4.5Å
157	P	97.4	Very high	92.4	Very high	9 Å²	9	63.3 Å²	63.3	6%	0.058	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	117.5	169.9	29	-32.3	0	0	0	110.4	L136 H142 F146 M148 G516 L517	L136-P157 HydrophobicContact CD1-CG 4.47Å; H142-P157 HydrophobicContact CB-CB 4.14Å; H142-P157 HydrophobicContact CB-CG 4.47Å; F146-P157 HydrophobicContact CB-CB 3.85Å; F146-P157 HydrophobicContact CD1-CB 3.61Å; F146-P157 HydrophobicContact CE1-CB 4.35Å; F146-P157 HydrophobicContact CG-CB 3.77Å; M148-P157 HydrophobicContact SD-CB 4.1Å; P157-G516 CarbonylContact O-C 3.55Å; P157-G516 VanDerWaalsContact O-CA 3.27Å; P157-G516 WeakPolarHBondContact O-CA 3.49Å; P157-L517 PolarHBondContact O-N 3.31Å
158	Y	97	Very high	92.1	Very high	99 Å²	99	58.1 Å²	58.1	39%	0.388	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-55.6	177.2	176.4	-111.2	0	0	0	112.1	H147 I149 L156 G516 L517 R518	H147-Y158 WeakPolarHBondContact O-CB 3.43Å; H147-Y158 PolarHBondContact O-N 3.23Å; I149-Y158 HydrophobicContact CD1-CD2 3.82Å; I149-Y158 HydrophobicContact CD1-CG 4.22Å; I149-Y158 HydrophobicContact CG2-CG 4.27Å; L156-Y158 PolarHBondContact O-N 3.48Å; Y158-G516 CarbonylContact O-C 3.55Å; Y158-G516 WeakPolarHBondContact O-CA 3.35Å; Y158-L517 HydrophobicContact CD2-CB 4.44Å; Y158-L517 PolarHBondContact O-N 2.97Å; Y158-L517 VanDerWaalsContact O-N 3.14Å; Y158-R518 HydrophobicContact CD2-CB 4.41Å; Y158-R518 HydrophobicContact CE1-CB 4.38Å; Y158-R518 HydrophobicContact CE2-CB 4Å; Y158-R518 WeakPolarHBondContact O-CB 3.36Å; Y158-R518 PolarHBondContact O-N 2.88Å
159	A	95.8	Very high	91.8	Very high	4 Å²	4	57.2 Å²	57.2	3%	0.033	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	145.7	-178.3	0	0	0	0	0	110.5	F146 H147 R518	F146-A159 CarbonylContact C-O 3.55Å; F146-A159 WeakPolarHBondContact CA-O 3.48Å; H147-A159 PolarHBondContact N-O 2.81Å; A159-R518 HydrophobicContact CB-CB 4.5Å
160	P	94.9	Very high	91.6	Very high	10 Å²	10	61.3 Å²	61.3	7%	0.065	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	141	173.9	-19.1	26.4	0	0	0	110.9	F146 N162 I164 D519	F146-P160 HydrophobicContact CD1-CB 4.32Å; F146-P160 HydrophobicContact CD1-CG 4.12Å; F146-P160 VanDerWaalsContact CD1-N 3.33Å; F146-P160 HydrophobicContact CE1-CB 3.98Å; F146-P160 HydrophobicContact CE1-CG 3.47Å; F146-P160 VanDerWaalsContact CE1-CG 3.47Å; F146-P160 HydrophobicContact CZ-CB 4.17Å; F146-P160 HydrophobicContact CZ-CG 3.86Å; P160-N162 PolarHBondContact O-N 2.87Å; P160-I164 HydrophobicContact CB-CD1 3.96Å; P160-I164 HydrophobicContact CB-CG1 3.75Å; P160-I164 HydrophobicContact CG-CD1 3.98Å; P160-I164 HydrophobicContact CG-CG1 3.82Å; P160-D519 WeakPolarHBondContact CD-OD2 3.42Å
161	T	92	Very high	91.5	Very high	65 Å²	65	58.5 Å²	58.5	40%	0.399	28%	0.282	S	S	.	.	S	Bend	trans	-68.3	-22.8	171.4	54.8	0	0	0	0	111.5	R145	R145-T161 PolarHBondContact O-N 3.42Å; R145-T161 PolarHBondContact O-OG1 2.97Å
162	N	87.5	Confident	91.5	Very high	106 Å²	106	56.6 Å²	56.6	57%	0.567	27%	0.274	S	S	*	.	S	Bend	trans	-81.4	139.1	172.2	-65	32	0	0	0	108.7	P160 I164	P160-N162 PolarHBondContact O-N 2.87Å; N162-I164 HydrophobicContact CB-CG1 4.38Å; N162-I164 HydrophobicContact CB-CG2 3.86Å; N162-I164 PolarHBondContact O-N 2.84Å
163	K	88.8	Confident	91.3	Very high	222 Å²	222	54.9 Å²	54.9	97%	0.965	27%	0.269	S	S	*	.	S	Bend	trans	-74	61.5	178.4	-64.5	-176.7	179.3	-179	0	112
164	I	86.6	Confident	91.3	Very high	47 Å²	47	57.6 Å²	57.6	24%	0.241	27%	0.274	C	S	.	.			trans	-106.2	16.7	-172.5	60.9	164.9	0	0	0	114	P160 N162 K166 A167 C168	P160-I164 HydrophobicContact CB-CD1 3.96Å; P160-I164 HydrophobicContact CB-CG1 3.75Å; P160-I164 HydrophobicContact CG-CD1 3.98Å; P160-I164 HydrophobicContact CG-CG1 3.82Å; N162-I164 HydrophobicContact CB-CG1 4.38Å; N162-I164 HydrophobicContact CB-CG2 3.86Å; N162-I164 PolarHBondContact O-N 2.84Å; I164-K166 VanDerWaalsContact C-N 3.35Å; I164-K166 PolarHBondContact O-N 2.97Å; I164-A167 HydrophobicContact CB-CB 4.19Å; I164-A167 CarbonylContact O-C 3.58Å; I164-A167 WeakPolarHBondContact O-CA 3.28Å; I164-A167 WeakPolarHBondContact O-CB 3.32Å; I164-A167 PolarHBondContact O-N 3.39Å; I164-C168 PolarHBondContact O-N 3.33Å; I164-C168 PolarHBondContact O-SG 2.98Å
165	F	90.6	Very high	91.3	Very high	57 Å²	57	57 Å²	57	25%	0.25	27%	0.274	C	S	.	.	H	α-helix	trans	-50.7	-49.1	-178.8	178.7	-105.9	0	0	0	113.4	A167 C168 H169 D519 Y522	F165-A167 VanDerWaalsContact C-N 3.26Å; F165-A167 PolarHBondContact O-N 3.31Å; F165-C168 PolarHBondContact O-N 3.01Å; F165-H169 PolarHBondContact O-N 3.18Å; F165-D519 WeakPolarHBondContact CD2-OD1 3.42Å; F165-Y522 HydrophobicContact CE2-CD1 4.32Å; F165-Y522 HydrophobicContact CE2-CD2 4.37Å; F165-Y522 AromaticContact CE2-CG 3.99Å; F165-Y522 HydrophobicContact CE2-CG 3.99Å; F165-Y522 AromaticContact CZ-CD1 3.88Å; F165-Y522 HydrophobicContact CZ-CD1 3.88Å; F165-Y522 AromaticContact CZ-CD2 3.66Å; F165-Y522 HydrophobicContact CZ-CD2 3.66Å; F165-Y522 HydrophobicContact CZ-CE1 4.15Å; F165-Y522 AromaticContact CZ-CE2 3.9Å; F165-Y522 HydrophobicContact CZ-CE2 3.9Å; F165-Y522 AromaticContact CZ-CG 3.62Å; F165-Y522 HydrophobicContact CZ-CG 3.62Å
166	K	90.2	Very high	91.3	Very high	143 Å²	143	52.5 Å²	52.5	62%	0.622	26%	0.257	S	S	*	.	H	α-helix	trans	-62.9	-32.8	176.5	-63.8	-169.9	177.9	-177.4	0	112.7	I164 K170	I164-K166 VanDerWaalsContact C-N 3.35Å; I164-K166 PolarHBondContact O-N 2.97Å; K166-K170 WeakPolarHBondContact O-CB 3.33Å; K166-K170 PolarHBondContact O-N 3.23Å
167	A	89.9	Confident	91.3	Very high	36 Å²	36	52.5 Å²	52.5	30%	0.298	26%	0.258	S	S	.	.	H	α-helix	trans	-72.1	-39.6	177.5	0	0	0	0	0	111.4	I164 F165 K170 A171	I164-A167 HydrophobicContact CB-CB 4.19Å; I164-A167 CarbonylContact O-C 3.58Å; I164-A167 WeakPolarHBondContact O-CA 3.28Å; I164-A167 WeakPolarHBondContact O-CB 3.32Å; I164-A167 PolarHBondContact O-N 3.39Å; F165-A167 VanDerWaalsContact C-N 3.26Å; F165-A167 PolarHBondContact O-N 3.31Å; A167-K170 PolarHBondContact O-N 2.99Å; A167-A171 VanDerWaalsContact O-CB 3.23Å; A167-A171 WeakPolarHBondContact O-CB 3.38Å; A167-A171 PolarHBondContact O-N 3.49Å
168	C	91.8	Very high	91.3	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.014	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-47.6	171.9	-63.2	0	0	0	0	110.9	I164 F165 K170 A171 S172 L177 D519	I164-C168 PolarHBondContact O-N 3.33Å; I164-C168 PolarHBondContact O-SG 2.98Å; F165-C168 PolarHBondContact O-N 3.01Å; C168-K170 PolarHBondContact O-N 3.45Å; C168-A171 WeakPolarHBondContact O-CB 3.47Å; C168-A171 PolarHBondContact O-N 2.93Å; C168-A171 VanDerWaalsContact O-N 3.11Å; C168-S172 PolarHBondContact O-N 3.39Å; C168-L177 HydrophobicContact CB-CD1 3.9Å; C168-L177 HydrophobicContact CB-CD2 4.24Å; C168-D519 HydrophobicContact CB-CB 4.41Å
169	H	90.5	Very high	91.3	Very high	20 Å²	20	47.7 Å²	47.7	9%	0.093	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-41.8	176	179.3	-113.4	0	0	0	113.2	F165 A171 S172 H173 Y522	F165-H169 PolarHBondContact O-N 3.18Å; H169-A171 VanDerWaalsContact C-N 3.3Å; H169-A171 PolarHBondContact O-N 2.84Å; H169-S172 PolarHBondContact O-N 3.47Å; H169-S172 PolarHBondContact O-OG 2.8Å; H169-H173 AromaticContact CD2-CE1 3.77Å; H169-H173 AromaticContact NE2-CE1 3.41Å; H169-H173 PolarHBondContact NE2-CE1 3.04Å; H169-H173 PolarHBondContact O-ND1 3.4Å; H169-Y522 AromaticContact CD2-CE1 3.45Å; H169-Y522 VanDerWaalsContact CD2-CE1 3.45Å; H169-Y522 WeakPolarHBondContact CD2-CE1 3.43Å; H169-Y522 AromaticContact NE2-CE1 3.9Å
170	K	89.8	Confident	91.3	Very high	142 Å²	142	48 Å²	48	62%	0.617	24%	0.239	S	C	*	.	H	α-helix	trans	-65.5	-37	174.2	-175	173.4	-179.6	172.3	0	111.6	K166 A167 C168 H173 N174	K166-K170 WeakPolarHBondContact O-CB 3.33Å; K166-K170 PolarHBondContact O-N 3.23Å; A167-K170 PolarHBondContact O-N 2.99Å; C168-K170 PolarHBondContact O-N 3.45Å; K170-H173 PolarHBondContact O-N 2.95Å; K170-N174 PolarHBondContact O-N 2.8Å
171	A	91.4	Very high	91.4	Very high	9 Å²	9	47.7 Å²	47.7	7%	0.074	24%	0.237	C	C	.	.	H	α-helix	trans	-69.3	-32.3	-179.6	0	0	0	0	0	112.7	A167 C168 H169 H173 G175 C176 L177 E513	A167-A171 VanDerWaalsContact O-CB 3.23Å; A167-A171 WeakPolarHBondContact O-CB 3.38Å; A167-A171 PolarHBondContact O-N 3.49Å; C168-A171 WeakPolarHBondContact O-CB 3.47Å; C168-A171 PolarHBondContact O-N 2.93Å; C168-A171 VanDerWaalsContact O-N 3.11Å; H169-A171 VanDerWaalsContact C-N 3.3Å; H169-A171 PolarHBondContact O-N 2.84Å; A171-H173 PolarHBondContact O-N 3.28Å; A171-G175 CarbonylContact O-C 3.48Å; A171-G175 VanDerWaalsContact O-CA 3.26Å; A171-G175 WeakPolarHBondContact O-CA 3.3Å; A171-G175 PolarHBondContact O-N 3.12Å; A171-C176 PolarHBondContact O-N 3.04Å; A171-L177 HydrophobicContact CB-CB 4.28Å; A171-E513 HydrophobicContact CB-CB 3.95Å; A171-E513 HydrophobicContact CB-CG 4Å
172	S	91.2	Very high	91.4	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.007	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-28.2	176	67.2	0	0	0	0	113.1	C168 H169 G317 T474	C168-S172 PolarHBondContact O-N 3.39Å; H169-S172 PolarHBondContact O-N 3.47Å; H169-S172 PolarHBondContact O-OG 2.8Å; S172-G317 WeakPolarHBondContact O-CA 3.21Å; S172-T474 WeakPolarHBondContact O-CA 3.36Å; S172-T474 WeakPolarHBondContact O-CG2 3.28Å
173	H	87.3	Confident	91.6	Very high	26 Å²	26	39.9 Å²	39.9	12%	0.12	19%	0.192	C	C	.	.	H	α-helix	trans	-100.2	-45.8	-178.5	-61	83.2	0	0	0	113.1	H169 K170 A171 R318 E473 G527	H169-H173 AromaticContact CD2-CE1 3.77Å; H169-H173 AromaticContact NE2-CE1 3.41Å; H169-H173 PolarHBondContact NE2-CE1 3.04Å; H169-H173 PolarHBondContact O-ND1 3.4Å; K170-H173 PolarHBondContact O-N 2.95Å; A171-H173 PolarHBondContact O-N 3.28Å; H173-R318 WeakPolarHBondContact O-CG 3.34Å; H173-E473 HydrophobicContact CB-CG 4.47Å; H173-E473 IonicContact CD2-OE1 3.16Å; H173-G527 PolarHBondContact NE2-O 2.85Å
174	N	86	Confident	91.9	Very high	93 Å²	93	30.1 Å²	30.1	50%	0.497	15%	0.15	S	C	.	.	H	α-helix	trans	-115.6	5.9	-169.6	-67.3	-50.1	0	0	0	113.5	K170	K170-N174 PolarHBondContact O-N 2.8Å
175	G	90.2	Very high	92.3	Very high	7 Å²	7	28.8 Å²	28.8	7%	0.072	14%	0.144	C	C	.	.	S	Bend	trans	-142.5	-141.1	-175.9	0	0	0	0	0	111	A171 G317 R318 Q319	A171-G175 CarbonylContact O-C 3.48Å; A171-G175 VanDerWaalsContact O-CA 3.26Å; A171-G175 WeakPolarHBondContact O-CA 3.3Å; A171-G175 PolarHBondContact O-N 3.12Å; G175-G317 CarbonylContact O-C 3.27Å; G175-G317 VanDerWaalsContact O-C 3.24Å; G175-G317 WeakPolarHBondContact O-CA 3.39Å; G175-R318 PolarHBondContact O-N 3.11Å; G175-Q319 WeakPolarHBondContact O-CB 3.23Å; G175-Q319 PolarHBondContact O-N 2.9Å
176	C	93.1	Very high	92.4	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.02	13%	0.132	C	C	.	.			trans	-132.3	126.2	169.3	179.2	0	0	0	0	109.3	A171 I316 Q319 L323 A512 E513	A171-C176 PolarHBondContact O-N 3.04Å; C176-I316 CarbonylContact C-O 3.34Å; C176-I316 VanDerWaalsContact CA-O 3.28Å; C176-I316 WeakPolarHBondContact CA-O 3.04Å; C176-Q319 HydrophobicContact CB-CB 4.19Å; C176-L323 HydrophobicContact CB-CD1 4.4Å; C176-A512 HydrophobicContact CB-CB 4.16Å; C176-A512 WeakPolarHBondContact O-CA 3.4Å; C176-E513 PolarHBondContact O-N 3.31Å
177	L	95.9	Very high	92.7	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131	170.9	-177.6	63.5	0	0	0	108.9	C168 A171 F179 I316 E513	C168-L177 HydrophobicContact CB-CD1 3.9Å; C168-L177 HydrophobicContact CB-CD2 4.24Å; A171-L177 HydrophobicContact CB-CB 4.28Å; L177-F179 HydrophobicContact CD2-CE1 4.36Å; L177-F179 HydrophobicContact CD2-CE2 3.64Å; L177-F179 HydrophobicContact CD2-CZ 3.39Å; L177-F179 HydrophobicContact CG-CD2 4.5Å; L177-F179 HydrophobicContact CG-CE2 3.76Å; L177-F179 HydrophobicContact CG-CZ 3.78Å; L177-I316 HydrophobicContact CB-CD1 4.13Å; L177-I316 HydrophobicContact CB-CG1 3.77Å; L177-I316 HydrophobicContact CD2-CD1 4.14Å; L177-I316 HydrophobicContact CG-CD1 4.43Å; L177-I316 HydrophobicContact CG-CG1 4.41Å; L177-I316 PolarHBondContact N-O 3.35Å; L177-I316 VanDerWaalsContact O-CG1 3.25Å; L177-I316 WeakPolarHBondContact O-CG1 3.13Å; L177-I316 PolarHBondContact O-N 3.25Å; L177-E513 CarbonylContact C-O 2.88Å; L177-E513 WeakPolarHBondContact CA-O 3.49Å; L177-E513 HydrophobicContact CD1-CB 4.07Å
178	L	96.8	Very high	92.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.4	-177.6	-178.6	84.8	0	0	0	110.5	L313 R314 L315 L504 E513 V514 G515	L178-L313 HydrophobicContact CD1-CB 4.34Å; L178-R314 CarbonylContact C-O 3.57Å; L178-R314 VanDerWaalsContact CA-O 3.31Å; L178-R314 WeakPolarHBondContact CA-O 3.47Å; L178-L315 HydrophobicContact CD1-CD1 3.72Å; L178-L315 HydrophobicContact CD1-CD2 4.34Å; L178-L315 HydrophobicContact CD1-CG 3.56Å; L178-L504 HydrophobicContact CD2-CB 3.99Å; L178-L504 HydrophobicContact CD2-CD1 3.63Å; L178-L504 HydrophobicContact CD2-CG 3.44Å; L178-L504 VanDerWaalsContact CD2-CG 3.44Å; L178-E513 PolarHBondContact N-O 3.24Å; L178-V514 HydrophobicContact CB-CG2 4.36Å; L178-V514 HydrophobicContact CD2-CG2 4.12Å; L178-V514 WeakPolarHBondContact O-CA 3.4Å; L178-G515 PolarHBondContact O-N 2.98Å
179	F	97.5	Very high	92.9	Very high	6 Å²	6	18.1 Å²	18.1	3%	0.026	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151.1	171.3	-63	-76	0	0	0	111.2	L177 F181 L313 R314 I316 D519 L520	L177-F179 HydrophobicContact CD2-CE1 4.36Å; L177-F179 HydrophobicContact CD2-CE2 3.64Å; L177-F179 HydrophobicContact CD2-CZ 3.39Å; L177-F179 HydrophobicContact CG-CD2 4.5Å; L177-F179 HydrophobicContact CG-CE2 3.76Å; L177-F179 HydrophobicContact CG-CZ 3.78Å; F179-F181 HydrophobicContact CB-CD2 3.8Å; F179-F181 HydrophobicContact CB-CE2 3.52Å; F179-F181 HydrophobicContact CD2-CE2 4.4Å; F179-F181 HydrophobicContact CG-CE2 4.19Å; F179-L313 WeakPolarHBondContact O-CA 3.18Å; F179-R314 HydrophobicContact CB-CB 4.48Å; F179-R314 PolarHBondContact N-O 3.33Å; F179-R314 PolarHBondContact O-N 3.3Å; F179-I316 HydrophobicContact CD2-CD1 4.46Å; F179-I316 HydrophobicContact CE2-CD1 3.73Å; F179-I316 HydrophobicContact CE2-CG1 4.16Å; F179-D519 HydrophobicContact CE1-CB 4.4Å; F179-L520 HydrophobicContact CD1-CB 3.96Å; F179-L520 HydrophobicContact CD1-CD1 4.35Å; F179-L520 HydrophobicContact CD2-CD1 4.02Å; F179-L520 HydrophobicContact CE1-CB 3.57Å; F179-L520 HydrophobicContact CE1-CD1 4.3Å; F179-L520 HydrophobicContact CE2-CD1 3.95Å; F179-L520 HydrophobicContact CG-CD1 4.2Å; F179-L520 HydrophobicContact CZ-CB 3.92Å; F179-L520 HydrophobicContact CZ-CD1 4.09Å
180	D	95.7	Very high	92.8	Very high	12 Å²	12	19.1 Å²	19.1	6%	0.064	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	105.2	172	-172.7	-12.8	0	0	0	109.6	L136 T138 S182 L313	L136-D180 HydrophobicContact CD1-CB 4.26Å; T138-D180 WeakPolarHBondContact CB-OD2 3.19Å; T138-D180 WeakPolarHBondContact CG2-OD2 3.42Å; T138-D180 PolarHBondContact OG1-OD2 3.16Å; D180-S182 VanDerWaalsContact C-N 3.34Å; D180-S182 WeakPolarHBondContact OD1-CB 3.47Å; D180-S182 PolarHBondContact OD1-N 3.13Å; D180-S182 PolarHBondContact OD1-OG 2.86Å; D180-L313 HydrophobicContact CB-CD2 3.78Å
181	F	95.6	Very high	92.9	Very high	3 Å²	3	12.4 Å²	12.4	1%	0.013	6%	0.064	C	C	.	.			trans	-94.6	12.5	178.9	-82.4	-94.1	0	0	0	112.6	F179 Y183 L184 R312 R314 L520 D535	F179-F181 HydrophobicContact CB-CD2 3.8Å; F179-F181 HydrophobicContact CB-CE2 3.52Å; F179-F181 HydrophobicContact CD2-CE2 4.4Å; F179-F181 HydrophobicContact CG-CE2 4.19Å; F181-Y183 HydrophobicContact CD1-CE1 4.31Å; F181-Y183 PolarHBondContact O-N 3.26Å; F181-L184 HydrophobicContact CB-CD1 4.16Å; F181-L184 HydrophobicContact CB-CG 4.42Å; F181-L184 HydrophobicContact CD1-CD1 3.85Å; F181-L184 HydrophobicContact CD1-CG 4.2Å; F181-L184 HydrophobicContact CG-CD1 4.47Å; F181-L184 WeakPolarHBondContact O-CB 3.32Å; F181-L184 WeakPolarHBondContact O-CG 3.39Å; F181-L184 PolarHBondContact O-N 3.21Å; F181-R312 CarbonylContact C-O 3.58Å; F181-R312 WeakPolarHBondContact CA-O 3.13Å; F181-R312 HydrophobicContact CB-CB 4.47Å; F181-R312 PolarHBondContact N-O 2.71Å; F181-R314 HydrophobicContact CD2-CB 3.45Å; F181-R314 VanDerWaalsContact CD2-CB 3.45Å; F181-R314 HydrophobicContact CD2-CG 4.35Å; F181-R314 HydrophobicContact CE2-CB 3.58Å; F181-R314 HydrophobicContact CE2-CG 3.99Å; F181-L520 HydrophobicContact CE1-CD2 3.94Å; F181-L520 HydrophobicContact CE2-CD1 4.09Å; F181-L520 HydrophobicContact CE2-CD2 4.41Å; F181-L520 HydrophobicContact CZ-CD1 3.54Å; F181-L520 HydrophobicContact CZ-CD2 3.63Å; F181-L520 HydrophobicContact CZ-CG 4.24Å; F181-D535 HydrophobicContact CE1-CB 4.41Å; F181-D535 HydrophobicContact CZ-CB 4.27Å
182	S	92.3	Very high	92.8	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.007	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	4.8	-176	-43.3	0	0	0	0	114.4	D180 C311 R312 R483	D180-S182 VanDerWaalsContact C-N 3.34Å; D180-S182 WeakPolarHBondContact OD1-CB 3.47Å; D180-S182 PolarHBondContact OD1-N 3.13Å; D180-S182 PolarHBondContact OD1-OG 2.86Å; S182-C311 WeakPolarHBondContact OG-CA 3.36Å; S182-C311 VanDerWaalsContact OG-CB 3.29Å; S182-C311 WeakPolarHBondContact OG-CB 3.33Å; S182-R312 PolarHBondContact N-O 3.22Å; S182-R312 PolarHBondContact OG-N 2.96Å; S182-R312 PolarHBondContact OG-O 3.33Å; S182-R483 PolarHBondContact O-NH2 2.84Å
183	Y	93	Very high	92.6	Very high	6 Å²	6	13.2 Å²	13.2	2%	0.024	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-12.2	169.6	70.1	-88.7	0	0	0	113.3	W152 W154 L156 F181 H273 P274	W152-Y183 HydrophobicContact CE3-CD2 4.16Å; W152-Y183 HydrophobicContact CE3-CE2 4.12Å; W152-Y183 HydrophobicContact CZ3-CD2 4.26Å; W152-Y183 AromaticContact CZ3-CE2 3.83Å; W152-Y183 HydrophobicContact CZ3-CE2 3.83Å; W154-Y183 PolarHBondContact NE1-O 3.16Å; L156-Y183 HydrophobicContact CD1-CD1 4.48Å; L156-Y183 HydrophobicContact CD1-CD2 4.4Å; L156-Y183 HydrophobicContact CD1-CG 4.25Å; L156-Y183 HydrophobicContact CD2-CD1 4.01Å; L156-Y183 HydrophobicContact CD2-CG 3.96Å; F181-Y183 HydrophobicContact CD1-CE1 4.31Å; F181-Y183 PolarHBondContact O-N 3.26Å; Y183-H273 AromaticContact CE2-CD2 3.77Å; Y183-H273 AromaticContact CE2-NE2 3.67Å; Y183-P274 HydrophobicContact CD2-CG 4.1Å; Y183-P274 WeakPolarHBondContact O-CG 3.3Å
184	L	94.8	Very high	92.7	Very high	16 Å²	16	16.3 Å²	16.3	8%	0.084	9%	0.085	C	C	.	.	S	Bend	trans	-61.9	147.5	173.3	-64.9	-179.6	0	0	0	110	F181 W271 H273	F181-L184 HydrophobicContact CB-CD1 4.16Å; F181-L184 HydrophobicContact CB-CG 4.42Å; F181-L184 HydrophobicContact CD1-CD1 3.85Å; F181-L184 HydrophobicContact CD1-CG 4.2Å; F181-L184 HydrophobicContact CG-CD1 4.47Å; F181-L184 WeakPolarHBondContact O-CB 3.32Å; F181-L184 WeakPolarHBondContact O-CG 3.39Å; F181-L184 PolarHBondContact O-N 3.21Å; L184-W271 HydrophobicContact CB-CE3 3.85Å; L184-W271 HydrophobicContact CB-CZ3 4.34Å; L184-W271 WeakPolarHBondContact O-CZ3 3.43Å; L184-H273 HydrophobicContact CD2-CB 4.29Å
185	N	94	Very high	92.8	Very high	20 Å²	20	12.1 Å²	12.1	11%	0.107	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	149.5	173.9	-74.6	30	0	0	0	109.8	F187 W271 L272 S277 T307	N185-F187 HydrophobicContact CB-CE1 4.48Å; N185-W271 WeakPolarHBondContact O-CA 3.2Å; N185-W271 VanDerWaalsContact O-CE3 3.24Å; N185-L272 HydrophobicContact CB-CG 4.48Å; N185-L272 PolarHBondContact N-O 3.12Å; N185-L272 PolarHBondContact O-N 3.42Å; N185-S277 WeakPolarHBondContact ND2-CB 3.22Å; N185-S277 PolarHBondContact ND2-OG 3.33Å; N185-T307 WeakPolarHBondContact CA-OG1 3.41Å; N185-T307 HydrophobicContact CB-CG2 4.18Å; N185-T307 WeakPolarHBondContact CB-OG1 3.42Å
186	C	94	Very high	92.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	116.8	-179.9	-164.8	0	0	0	0	110.5	L270 W271 V306 T307	C186-L270 VanDerWaalsContact CA-O 3.3Å; C186-L270 WeakPolarHBondContact CA-O 3.2Å; C186-W271 HydrophobicContact CB-CD2 3.99Å; C186-W271 HydrophobicContact CB-CE3 3.64Å; C186-W271 HydrophobicContact CB-CH2 3.37Å; C186-W271 HydrophobicContact CB-CZ2 3.71Å; C186-W271 HydrophobicContact CB-CZ3 3.36Å; C186-W271 WeakPolarHBondContact SG-CZ2 3.5Å; C186-V306 HydrophobicContact CB-CG2 3.81Å; C186-V306 CarbonylContact O-C 3.57Å; C186-V306 WeakPolarHBondContact O-CG2 3.29Å; C186-V306 PolarHBondContact O-N 2.98Å; C186-V306 VanDerWaalsContact SG-CG2 3.59Å; C186-T307 PolarHBondContact N-OG1 2.84Å; C186-T307 PolarHBondContact O-N 3.26Å
187	F	95.2	Very high	92.6	Very high	4 Å²	4	12.4 Å²	12.4	2%	0.018	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.6	170.3	-55.7	-30.1	0	0	0	109.1	N185 W269 L270 L272 A280 W281 L284 L303 D305	N185-F187 HydrophobicContact CB-CE1 4.48Å; F187-W269 CarbonylContact O-C 3.6Å; F187-W269 WeakPolarHBondContact O-CA 3.22Å; F187-L270 HydrophobicContact CB-CB 4.47Å; F187-L270 PolarHBondContact N-O 3.1Å; F187-L270 PolarHBondContact O-N 3.45Å; F187-L272 HydrophobicContact CD2-CD2 3.58Å; F187-L272 HydrophobicContact CE2-CD1 3.89Å; F187-L272 HydrophobicContact CE2-CD2 3.8Å; F187-L272 HydrophobicContact CE2-CG 4.39Å; F187-L272 HydrophobicContact CG-CD2 4.28Å; F187-L272 HydrophobicContact CZ-CD1 4.36Å; F187-A280 HydrophobicContact CE2-CB 4.18Å; F187-W281 AromaticContact CD1-CE3 3.93Å; F187-W281 HydrophobicContact CD1-CE3 3.93Å; F187-W281 HydrophobicContact CD1-CZ3 4.21Å; F187-W281 HydrophobicContact CD2-CE3 4.42Å; F187-W281 AromaticContact CE1-CE3 3.89Å; F187-W281 HydrophobicContact CE1-CE3 3.89Å; F187-W281 HydrophobicContact CE1-CZ3 4.5Å; F187-W281 HydrophobicContact CE2-CB 4.12Å; F187-W281 HydrophobicContact CE2-CE3 4.36Å; F187-W281 HydrophobicContact CG-CE3 4.22Å; F187-W281 HydrophobicContact CZ-CB 4.04Å; F187-W281 HydrophobicContact CZ-CE3 4.1Å; F187-L284 HydrophobicContact CD2-CD1 3.75Å; F187-L284 HydrophobicContact CE2-CD1 4.47Å; F187-L303 HydrophobicContact CB-CD1 4.2Å; F187-D305 HydrophobicContact CD1-CB 4.27Å; F187-D305 HydrophobicContact CE1-CB 4.4Å
188	Q	92.9	Very high	92.3	Very high	5 Å²	5	17.1 Å²	17.1	2%	0.023	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.5	177.5	179.1	-179.2	-45.5	0	0	108.5	H267 I268 L303 D304 V306	Q188-H267 PolarHBondContact NE2-ND1 3.27Å; Q188-I268 CarbonylContact C-O 3.32Å; Q188-I268 WeakPolarHBondContact CA-O 3.33Å; Q188-L303 WeakPolarHBondContact O-CA 3.37Å; Q188-D304 HydrophobicContact CB-CB 4.39Å; Q188-D304 PolarHBondContact N-O 3.48Å; Q188-D304 PolarHBondContact O-N 3.17Å; Q188-V306 HydrophobicContact CB-CG1 4.06Å; Q188-V306 HydrophobicContact CB-CG2 3.95Å
189	I	93.3	Very high	91.9	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.021	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134	170.4	-59.4	175.4	0	0	0	108.1	L196 I268 L270 L284 I288 L301 E302 L303	I189-L196 HydrophobicContact CG2-CD1 4.07Å; I189-I268 PolarHBondContact N-O 3.04Å; I189-I268 PolarHBondContact O-N 3.3Å; I189-L270 HydrophobicContact CD1-CD1 3.63Å; I189-L270 HydrophobicContact CG1-CD1 3.91Å; I189-L284 HydrophobicContact CD1-CD2 4.12Å; I189-I288 HydrophobicContact CD1-CD1 4.21Å; I189-I288 HydrophobicContact CG1-CD1 4.39Å; I189-L301 HydrophobicContact CG2-CD2 4.43Å; I189-E302 VanDerWaalsContact CA-O 3.28Å; I189-E302 WeakPolarHBondContact CA-O 3.48Å; I189-L303 HydrophobicContact CD1-CD1 4.24Å; I189-L303 HydrophobicContact CG1-CD1 3.65Å
190	Y	89.9	Confident	91.6	Very high	42 Å²	42	17.2 Å²	17.2	17%	0.165	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	136.9	175.5	178.6	-117.1	0	0	0	110.6	N259 F265 H267 L301 E302	Y190-N259 PolarHBondContact OH-ND2 2.89Å; Y190-F265 AromaticContact CE1-CD1 3.85Å; Y190-F265 HydrophobicContact CE1-CD1 3.85Å; Y190-F265 HydrophobicContact CE1-CE1 4.42Å; Y190-F265 HydrophobicContact CE2-CB 3.99Å; Y190-F265 HydrophobicContact CE2-CD1 4.2Å; Y190-F265 AromaticContact CZ-CD1 3.67Å; Y190-H267 AromaticContact CD2-CD2 3.6Å; Y190-H267 AromaticContact CD2-CE1 3.05Å; Y190-H267 WeakPolarHBondContact CD2-CE1 3.36Å; Y190-H267 AromaticContact CD2-CG 3.62Å; Y190-H267 AromaticContact CD2-ND1 3.29Å; Y190-H267 VanDerWaalsContact CD2-ND1 3.29Å; Y190-H267 WeakPolarHBondContact CD2-ND1 3.3Å; Y190-H267 AromaticContact CD2-NE2 3.27Å; Y190-H267 VanDerWaalsContact CD2-NE2 3.27Å; Y190-H267 WeakPolarHBondContact CD2-NE2 3.2Å; Y190-H267 AromaticContact CE2-CD2 3.76Å; Y190-H267 AromaticContact CE2-CE1 3.65Å; Y190-H267 AromaticContact CE2-NE2 3.37Å; Y190-H267 WeakPolarHBondContact CE2-NE2 3.48Å; Y190-H267 AromaticContact CG-CE1 3.37Å; Y190-H267 AromaticContact CG-ND1 3.7Å; Y190-H267 AromaticContact CG-NE2 3.99Å; Y190-L301 WeakPolarHBondContact O-CA 3.33Å; Y190-E302 PolarHBondContact N-O 3.45Å; Y190-E302 PolarHBondContact O-N 2.86Å
191	G	90	Very high	91.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.3	-164.6	173	0	0	0	0	0	112.5	F265 R266	G191-F265 WeakPolarHBondContact O-CA 3.36Å; G191-R266 PolarHBondContact N-O 3.07Å; G191-R266 PolarHBondContact O-N 2.93Å
192	P	89.6	Confident	90.7	Very high	6 Å²	6	23 Å²	23	4%	0.039	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	133.5	-177.9	-24.2	35.7	0	0	0	113.1	N194 I195 L196 S264 F265 C299	P192-N194 WeakPolarHBondContact CB-OD1 3.19Å; P192-N194 PolarHBondContact O-N 3.27Å; P192-I195 HydrophobicContact CB-CB 4.33Å; P192-I195 HydrophobicContact CB-CD1 4.02Å; P192-I195 HydrophobicContact CB-CG1 4.02Å; P192-I195 HydrophobicContact CG-CD1 3.92Å; P192-I195 HydrophobicContact CG-CG1 4.46Å; P192-I195 PolarHBondContact O-N 3.09Å; P192-L196 VanDerWaalsContact O-CB 3.28Å; P192-L196 WeakPolarHBondContact O-CB 3.23Å; P192-L196 PolarHBondContact O-N 2.87Å; P192-S264 CarbonylContact C-O 3.49Å; P192-S264 VanDerWaalsContact CA-O 3.25Å; P192-S264 WeakPolarHBondContact CA-O 3.31Å; P192-F265 HydrophobicContact CG-CE1 4.22Å; P192-F265 HydrophobicContact CG-CE2 4.08Å; P192-F265 HydrophobicContact CG-CZ 3.93Å; P192-C299 HydrophobicContact CG-CB 3.47Å; P192-C299 VanDerWaalsContact CG-CB 3.47Å
193	E	88.1	Confident	90.6	Very high	22 Å²	22	23 Å²	23	10%	0.103	11%	0.114	C	C	.	.	H	α-helix	trans	-60.5	-42.2	-174.8	-177.2	175.6	-139	0	0	112.5	I195 L196 V197 T222 S264 R266	E193-I195 PolarHBondContact O-N 3.45Å; E193-L196 PolarHBondContact O-N 2.95Å; E193-V197 HydrophobicContact CG-CG2 4.34Å; E193-V197 WeakPolarHBondContact O-CG2 3.33Å; E193-V197 PolarHBondContact O-N 3.36Å; E193-T222 VanDerWaalsContact CD-OG1 3.28Å; E193-T222 HydrophobicContact CG-CG2 3.97Å; E193-T222 WeakPolarHBondContact OE1-CB 3.38Å; E193-T222 WeakPolarHBondContact OE1-CG2 3.29Å; E193-T222 PolarHBondContact OE1-OG1 3.44Å; E193-S264 PolarHBondContact N-O 3.03Å; E193-R266 IonicContact OE1-CZ 2.78Å; E193-R266 IonicContact OE1-NH1 2.71Å; E193-R266 PolarHBondContact OE1-NH1 3.21Å
194	N	87.8	Confident	90.5	Very high	91 Å²	91	23.6 Å²	23.6	49%	0.487	12%	0.117	S	C	.	.	H	α-helix	trans	-59.4	-43.6	177.8	61.1	-33.1	0	0	0	112.6	P192 K198 I220	P192-N194 WeakPolarHBondContact CB-OD1 3.19Å; P192-N194 PolarHBondContact O-N 3.27Å; N194-K198 PolarHBondContact O-N 2.92Å; N194-I220 HydrophobicContact CB-CD1 4.39Å
195	I	89.4	Confident	90.1	Very high	5 Å²	5	26 Å²	26	3%	0.026	13%	0.128	C	C	.	.	H	α-helix	trans	-70.2	-43.1	179.3	-57.6	-175.2	0	0	0	109.9	P192 E193 V197 K198 C199 V291 N295 C299 L301	P192-I195 HydrophobicContact CB-CB 4.33Å; P192-I195 HydrophobicContact CB-CD1 4.02Å; P192-I195 HydrophobicContact CB-CG1 4.02Å; P192-I195 HydrophobicContact CG-CD1 3.92Å; P192-I195 HydrophobicContact CG-CG1 4.46Å; P192-I195 PolarHBondContact O-N 3.09Å; E193-I195 PolarHBondContact O-N 3.45Å; I195-V197 VanDerWaalsContact C-N 3.33Å; I195-V197 PolarHBondContact O-N 2.92Å; I195-K198 PolarHBondContact O-N 3.48Å; I195-C199 PolarHBondContact O-N 2.98Å; I195-V291 HydrophobicContact CG2-CG1 3.33Å; I195-N295 HydrophobicContact CD1-CB 4.32Å; I195-C299 WeakPolarHBondContact CD1-O 3.27Å; I195-L301 HydrophobicContact CB-CD2 4.29Å; I195-L301 HydrophobicContact CB-CG 4.33Å; I195-L301 HydrophobicContact CG2-CD1 3.75Å; I195-L301 HydrophobicContact CG2-CD2 4.19Å; I195-L301 HydrophobicContact CG2-CG 3.69Å
196	L	90.5	Very high	89.7	Confident	3 Å²	3	26 Å²	26	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-58.9	-43.3	178.1	178.5	149.8	0	0	0	111.8	I189 P192 E193 C199 L200 W255 I268 L301	I189-L196 HydrophobicContact CG2-CD1 4.07Å; P192-L196 VanDerWaalsContact O-CB 3.28Å; P192-L196 WeakPolarHBondContact O-CB 3.23Å; P192-L196 PolarHBondContact O-N 2.87Å; E193-L196 PolarHBondContact O-N 2.95Å; L196-C199 PolarHBondContact O-N 3.09Å; L196-L200 HydrophobicContact CD2-CD1 3.79Å; L196-L200 HydrophobicContact CD2-CG 4.38Å; L196-L200 WeakPolarHBondContact O-CG 3.22Å; L196-L200 PolarHBondContact O-N 2.97Å; L196-W255 HydrophobicContact CD2-CH2 3.61Å; L196-W255 HydrophobicContact CD2-CZ3 3.59Å; L196-I268 HydrophobicContact CD1-CB 4.38Å; L196-I268 HydrophobicContact CD1-CD1 3.52Å; L196-I268 HydrophobicContact CD1-CG1 3.81Å; L196-I268 HydrophobicContact CD2-CD1 3.19Å; L196-I268 HydrophobicContact CD2-CG1 4.31Å; L196-I268 HydrophobicContact CG-CD1 3.82Å; L196-L301 HydrophobicContact CB-CD2 3.92Å
197	V	89.4	Confident	88.7	Confident	13 Å²	13	27.8 Å²	27.8	8%	0.079	14%	0.137	C	C	.	.	H	α-helix	trans	-66.9	-41.1	-179.8	171.8	0	0	0	0	111.1	E193 I195 C199 L200 N201 I220 T222 W255	E193-V197 HydrophobicContact CG-CG2 4.34Å; E193-V197 WeakPolarHBondContact O-CG2 3.33Å; E193-V197 PolarHBondContact O-N 3.36Å; I195-V197 VanDerWaalsContact C-N 3.33Å; I195-V197 PolarHBondContact O-N 2.92Å; V197-C199 VanDerWaalsContact C-N 3.35Å; V197-L200 PolarHBondContact O-N 3.18Å; V197-N201 VanDerWaalsContact CG1-ND2 3.33Å; V197-N201 WeakPolarHBondContact CG1-ND2 3.37Å; V197-N201 WeakPolarHBondContact O-CB 3.47Å; V197-N201 VanDerWaalsContact O-CG 3.24Å; V197-N201 PolarHBondContact O-N 2.95Å; V197-N201 PolarHBondContact O-ND2 3.49Å; V197-I220 HydrophobicContact CB-CG2 4.21Å; V197-I220 HydrophobicContact CG1-CG2 4.09Å; V197-I220 HydrophobicContact CG2-CG2 4.17Å; V197-T222 HydrophobicContact CB-CG2 4.44Å; V197-T222 HydrophobicContact CG2-CG2 3.03Å; V197-W255 HydrophobicContact CG2-CH2 4.42Å
198	K	87.7	Confident	87	Confident	100 Å²	100	33.3 Å²	33.3	44%	0.435	16%	0.159	S	C	.	.	H	α-helix	trans	-59	-49.7	176.1	-163	177.9	-178.7	-177.2	0	110.1	N194 I195 L200 N201 D202	N194-K198 PolarHBondContact O-N 2.92Å; I195-K198 PolarHBondContact O-N 3.48Å; K198-L200 PolarHBondContact O-N 3.23Å; K198-N201 PolarHBondContact O-N 3.41Å; K198-D202 PolarHBondContact O-N 2.76Å
199	C	89.9	Confident	85.2	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.007	17%	0.17	C	C	.	.	H	α-helix	trans	-58	-45.9	176	-179.5	0	0	0	0	112.7	I195 L196 V197 I203 S287 V291 L301	I195-C199 PolarHBondContact O-N 2.98Å; L196-C199 PolarHBondContact O-N 3.09Å; V197-C199 VanDerWaalsContact C-N 3.35Å; C199-I203 WeakPolarHBondContact O-CG1 3.24Å; C199-S287 PolarHBondContact SG-OG 3.36Å; C199-V291 HydrophobicContact CB-CG2 4.15Å; C199-L301 HydrophobicContact CB-CD1 3.94Å
200	L	90.2	Very high	82.7	Confident	8 Å²	8	42.6 Å²	42.6	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-67.1	-43	179.2	-73.3	-177.8	0	0	0	112.7	L196 V197 K198 D202 I203 F204 I253 W255 I268	L196-L200 HydrophobicContact CD2-CD1 3.79Å; L196-L200 HydrophobicContact CD2-CG 4.38Å; L196-L200 WeakPolarHBondContact O-CG 3.22Å; L196-L200 PolarHBondContact O-N 2.97Å; V197-L200 PolarHBondContact O-N 3.18Å; K198-L200 PolarHBondContact O-N 3.23Å; L200-D202 PolarHBondContact O-N 3Å; L200-I203 PolarHBondContact O-N 2.77Å; L200-I203 VanDerWaalsContact O-N 3.11Å; L200-F204 WeakPolarHBondContact O-CA 3.21Å; L200-F204 VanDerWaalsContact O-CB 3.25Å; L200-F204 WeakPolarHBondContact O-CB 3.45Å; L200-F204 PolarHBondContact O-N 3.26Å; L200-I253 HydrophobicContact CD1-CD1 4.36Å; L200-I253 HydrophobicContact CD2-CD1 4.26Å; L200-W255 HydrophobicContact CD1-CH2 3.82Å; L200-W255 HydrophobicContact CD1-CZ2 3.79Å; L200-I268 HydrophobicContact CD1-CD1 3.88Å
201	N	87.2	Confident	80.5	Confident	92 Å²	92	43.4 Å²	43.4	49%	0.492	22%	0.219	S	C	.	.	H	α-helix	trans	-60.9	-30.1	-178	-76.2	-27.9	0	0	0	112.9	V197 K198 I203 Y239	V197-N201 VanDerWaalsContact CG1-ND2 3.33Å; V197-N201 WeakPolarHBondContact CG1-ND2 3.37Å; V197-N201 WeakPolarHBondContact O-CB 3.47Å; V197-N201 VanDerWaalsContact O-CG 3.24Å; V197-N201 PolarHBondContact O-N 2.95Å; V197-N201 PolarHBondContact O-ND2 3.49Å; K198-N201 PolarHBondContact O-N 3.41Å; N201-I203 VanDerWaalsContact C-N 3.34Å; N201-Y239 WeakPolarHBondContact O-CD2 3.48Å
202	D	86.5	Confident	78.4	Confident	44 Å²	44	48.7 Å²	48.7	24%	0.235	26%	0.256	C	S	.	.	H	α-helix	trans	-67.1	-37.1	178.6	-69.3	-24	0	0	0	111.3	K198 L200 R245	K198-D202 PolarHBondContact O-N 2.76Å; L200-D202 PolarHBondContact O-N 3Å; D202-R245 PolarHBondContact O-NH1 3.23Å; D202-R245 PolarHBondContact O-NH2 2.73Å
203	I	89.7	Confident	76.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-113.8	-20.8	-169.3	63.4	-178	0	0	0	115.3	C199 L200 N201 L233 Y234 N237 L283 L284	C199-I203 WeakPolarHBondContact O-CG1 3.24Å; L200-I203 PolarHBondContact O-N 2.77Å; L200-I203 VanDerWaalsContact O-N 3.11Å; N201-I203 VanDerWaalsContact C-N 3.34Å; I203-L233 HydrophobicContact CB-CD1 4.06Å; I203-L233 HydrophobicContact CD1-CD1 4.01Å; I203-L233 HydrophobicContact CG1-CD1 3.9Å; I203-Y234 WeakPolarHBondContact O-CB 3.26Å; I203-Y234 WeakPolarHBondContact O-CD2 3.43Å; I203-Y234 PolarHBondContact O-N 2.78Å; I203-N237 HydrophobicContact CG2-CB 4.42Å; I203-N237 WeakPolarHBondContact CG2-OD1 3.38Å; I203-L283 HydrophobicContact CB-CD2 3.77Å; I203-L283 HydrophobicContact CD1-CD2 3.79Å; I203-L283 HydrophobicContact CG1-CD2 4.34Å; I203-L283 HydrophobicContact CG2-CD2 3.57Å; I203-L283 HydrophobicContact CG2-CG 4.31Å; I203-L284 HydrophobicContact CD1-CD2 3.28Å; I203-L284 HydrophobicContact CD1-CG 4.32Å
204	F	90.1	Very high	75.9	Confident	19 Å²	19	55 Å²	55	8%	0.083	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.4	-170.3	172.5	-101.1	0	0	0	110.5	L200 L206 I232 V251 I253	L200-F204 WeakPolarHBondContact O-CA 3.21Å; L200-F204 VanDerWaalsContact O-CB 3.25Å; L200-F204 WeakPolarHBondContact O-CB 3.45Å; L200-F204 PolarHBondContact O-N 3.26Å; F204-L206 HydrophobicContact CE1-CB 3.87Å; F204-L206 HydrophobicContact CE1-CD1 3.81Å; F204-L206 HydrophobicContact CE1-CG 4.48Å; F204-L206 HydrophobicContact CZ-CB 4.36Å; F204-L206 HydrophobicContact CZ-CD1 3.81Å; F204-I232 WeakPolarHBondContact CA-O 3.48Å; F204-I232 WeakPolarHBondContact CD2-O 3.38Å; F204-V251 HydrophobicContact CD2-CG1 3.41Å; F204-V251 VanDerWaalsContact CD2-CG1 3.41Å; F204-V251 HydrophobicContact CE2-CG1 3.32Å; F204-I253 HydrophobicContact CD1-CD1 3.81Å; F204-I253 HydrophobicContact CD2-CD1 3.75Å; F204-I253 HydrophobicContact CE1-CD1 3.68Å; F204-I253 HydrophobicContact CE2-CD1 3.62Å; F204-I253 HydrophobicContact CE2-CG1 4.13Å; F204-I253 HydrophobicContact CG-CD1 3.83Å; F204-I253 HydrophobicContact CZ-CD1 3.57Å; F204-I253 HydrophobicContact CZ-CG1 4.15Å
205	Q	87.9	Confident	75.1	Confident	68 Å²	68	51.2 Å²	51.2	32%	0.318	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.2	166.8	-179.5	179.4	22.1	0	0	109.4	G231 I232 Y234 E634	Q205-G231 CarbonylContact O-C 3.57Å; Q205-G231 VanDerWaalsContact O-CA 3.27Å; Q205-G231 WeakPolarHBondContact O-CA 3.29Å; Q205-I232 PolarHBondContact N-O 2.84Å; Q205-I232 PolarHBondContact O-N 2.83Å; Q205-Y234 HydrophobicContact CB-CE2 3.63Å; Q205-Y234 PolarHBondContact OE1-OH 3.49Å; Q205-E634 PolarHBondContact NE2-OE1 2.57Å
206	L	84.1	Confident	74.3	Confident	18 Å²	18	55.4 Å²	55.4	9%	0.094	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	139.4	171.8	-169.7	69.8	0	0	0	110.4	F204 Y208 Q229 T230	F204-L206 HydrophobicContact CE1-CB 3.87Å; F204-L206 HydrophobicContact CE1-CD1 3.81Å; F204-L206 HydrophobicContact CE1-CG 4.48Å; F204-L206 HydrophobicContact CZ-CB 4.36Å; F204-L206 HydrophobicContact CZ-CD1 3.81Å; L206-Y208 HydrophobicContact CB-CD2 3.78Å; L206-Y208 HydrophobicContact CB-CE2 3.58Å; L206-Y208 HydrophobicContact CB-CG 4.45Å; L206-Y208 HydrophobicContact CD2-CD1 3.84Å; L206-Y208 HydrophobicContact CD2-CD2 4.12Å; L206-Y208 HydrophobicContact CD2-CE1 3.45Å; L206-Y208 VanDerWaalsContact CD2-CE1 3.45Å; L206-Y208 HydrophobicContact CD2-CE2 3.77Å; L206-Y208 HydrophobicContact CD2-CG 4.15Å; L206-Y208 HydrophobicContact CG-CD2 4.26Å; L206-Y208 HydrophobicContact CG-CE2 4.18Å; L206-Y208 HydrophobicContact CG-CG 4.47Å; L206-Y208 PolarHBondContact O-N 3.41Å; L206-Q229 HydrophobicContact CD1-CB 3.59Å; L206-Q229 HydrophobicContact CD1-CG 4.02Å; L206-T230 WeakPolarHBondContact CD1-O 3.32Å
207	D	73.9	Confident	73.8	Confident	38 Å²	38	58.4 Å²	58.4	20%	0.203	30%	0.298	C	S	.	.			trans	-72.6	77	170.9	-163.5	23.9	0	0	0	107.9	T230 P465 F534	D207-T230 WeakPolarHBondContact CB-O 3.35Å; D207-T230 PolarHBondContact N-O 3.32Å; D207-T230 VanDerWaalsContact N-O 3.1Å; D207-P465 HydrophobicContact CB-CG 4.19Å; D207-P465 WeakPolarHBondContact O-CG 3.41Å; D207-F534 HydrophobicContact CB-CZ 4.32Å
208	Y	59.9	Low	73.2	Confident	121 Å²	121	59.4 Å²	59.4	48%	0.475	31%	0.305	S	S	.	.			trans	-72.3	142.7	-177.5	-82.8	-77.3	0	0	0	112	L206 L214	L206-Y208 HydrophobicContact CB-CD2 3.78Å; L206-Y208 HydrophobicContact CB-CE2 3.58Å; L206-Y208 HydrophobicContact CB-CG 4.45Å; L206-Y208 HydrophobicContact CD2-CD1 3.84Å; L206-Y208 HydrophobicContact CD2-CD2 4.12Å; L206-Y208 HydrophobicContact CD2-CE1 3.45Å; L206-Y208 VanDerWaalsContact CD2-CE1 3.45Å; L206-Y208 HydrophobicContact CD2-CE2 3.77Å; L206-Y208 HydrophobicContact CD2-CG 4.15Å; L206-Y208 HydrophobicContact CG-CD2 4.26Å; L206-Y208 HydrophobicContact CG-CE2 4.18Å; L206-Y208 HydrophobicContact CG-CG 4.47Å; L206-Y208 PolarHBondContact O-N 3.41Å; Y208-L214 HydrophobicContact CD1-CD1 3.99Å; Y208-L214 HydrophobicContact CD1-CD2 4.29Å; Y208-L214 HydrophobicContact CE1-CD1 4.08Å; Y208-L214 HydrophobicContact CE1-CD2 4.46Å
209	H	53.5	Low	72.7	Confident	55 Å²	55	63 Å²	63	26%	0.255	33%	0.329	S	S	.	.			trans	-113.6	150	151.5	-158.1	-84.5	0	0	0	109.5	D211 R469	H209-D211 IonicContact CE1-OD2 3.86Å; H209-D211 PolarHBondContact CE1-OD2 3.34Å; H209-D211 WeakPolarHBondContact ND1-CB 3.48Å; H209-D211 VanDerWaalsContact ND1-CG 3.34Å; H209-D211 PolarHBondContact ND1-N 3.27Å; H209-D211 IonicContact ND1-OD2 2.73Å; H209-D211 PolarHBondContact ND1-OD2 2.99Å; H209-D211 IonicContact NE2-OD2 3.9Å; H209-D211 PolarHBondContact O-N 2.76Å; H209-D211 VanDerWaalsContact O-N 3.08Å; H209-R469 PolarHBondContact CD2-NH2 3.05Å; H209-R469 PolarHBondContact NE2-NH2 3.4Å
210	V	40.9	Very low	72	Confident	149 Å²	149	66.7 Å²	66.7	90%	0.903	35%	0.348	S	S	*	.			trans	-77.7	22	177.3	-173.9	0	0	0	0	112.3
211	D	44.1	Very low	71.5	Confident	59 Å²	59	73.6 Å²	73.6	32%	0.316	38%	0.378	S	S	.	.	S	Bend	trans	-100.2	153.6	-174.1	-93	-43.9	0	0	0	113.7	H209 R213 L214	H209-D211 IonicContact CE1-OD2 3.86Å; H209-D211 PolarHBondContact CE1-OD2 3.34Å; H209-D211 WeakPolarHBondContact ND1-CB 3.48Å; H209-D211 VanDerWaalsContact ND1-CG 3.34Å; H209-D211 PolarHBondContact ND1-N 3.27Å; H209-D211 IonicContact ND1-OD2 2.73Å; H209-D211 PolarHBondContact ND1-OD2 2.99Å; H209-D211 IonicContact NE2-OD2 3.9Å; H209-D211 PolarHBondContact O-N 2.76Å; H209-D211 VanDerWaalsContact O-N 3.08Å; D211-R213 HydrophobicContact CB-CB 4.5Å; D211-R213 HydrophobicContact CB-CG 4.29Å; D211-R213 VanDerWaalsContact CG-CZ 3.42Å; D211-R213 VanDerWaalsContact CG-NH2 3.33Å; D211-R213 PolarHBondContact O-N 3.47Å; D211-R213 IonicContact OD1-NH1 2.76Å; D211-R213 IonicContact OD2-CZ 3.23Å; D211-R213 IonicContact OD2-NH1 3.15Å; D211-R213 PolarHBondContact OD2-NH1 3.34Å; D211-R213 IonicContact OD2-NH2 3.89Å; D211-R213 PolarHBondContact OD2-NH2 2.91Å; D211-L214 PolarHBondContact O-N 3.24Å
212	S	45.2	Very low	71.2	Confident	110 Å²	110	69.4 Å²	69.4	77%	0.769	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	17.3	170.8	54.1	0	0	0	0	115.6
213	R	59	Low	71.1	Confident	100 Å²	100	67.3 Å²	67.3	38%	0.377	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	4.2	-173.8	-59.1	-172.3	-63.9	-92.5	0.7	112.8	D211 W424	D211-R213 HydrophobicContact CB-CB 4.5Å; D211-R213 HydrophobicContact CB-CG 4.29Å; D211-R213 VanDerWaalsContact CG-CZ 3.42Å; D211-R213 VanDerWaalsContact CG-NH2 3.33Å; D211-R213 PolarHBondContact O-N 3.47Å; D211-R213 IonicContact OD1-NH1 2.76Å; D211-R213 IonicContact OD2-CZ 3.23Å; D211-R213 IonicContact OD2-NH1 3.15Å; D211-R213 PolarHBondContact OD2-NH1 3.34Å; D211-R213 IonicContact OD2-NH2 3.89Å; D211-R213 PolarHBondContact OD2-NH2 2.91Å; R213-W424 PolarHBondContact O-NE1 3.1Å
214	L	66.8	Low	70.5	Confident	62 Å²	62	70.3 Å²	70.3	33%	0.325	36%	0.36	S	S	.	.	S	Bend	trans	-73.8	145.8	170.1	-69.7	170.5	0	0	0	109.9	Y208 D211	Y208-L214 HydrophobicContact CD1-CD1 3.99Å; Y208-L214 HydrophobicContact CD1-CD2 4.29Å; Y208-L214 HydrophobicContact CE1-CD1 4.08Å; Y208-L214 HydrophobicContact CE1-CD2 4.46Å; D211-L214 PolarHBondContact O-N 3.24Å
215	P	70.5	Confident	70	Confident	10 Å²	10	70.5 Å²	70.5	7%	0.065	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-56.8	150.1	168.3	25.7	-33.1	0	0	0	109.2	L217 P223 W424	P215-L217 WeakPolarHBondContact O-CG 3.14Å; P215-L217 PolarHBondContact O-N 3.43Å; P215-P223 HydrophobicContact CB-CB 4.23Å; P215-P223 HydrophobicContact CG-CB 3.95Å; P215-W424 HydrophobicContact CB-CD2 4Å; P215-W424 HydrophobicContact CB-CE3 4.38Å; P215-W424 HydrophobicContact CB-CG 4.47Å; P215-W424 HydrophobicContact CB-CH2 4.25Å; P215-W424 HydrophobicContact CB-CZ2 3.88Å; P215-W424 HydrophobicContact CB-CZ3 4.48Å; P215-W424 HydrophobicContact CG-CZ2 4.28Å; P215-W424 VanDerWaalsContact N-NE1 3.16Å
216	E	74.5	Confident	69.9	Low	94 Å²	94	67.5 Å²	67.5	44%	0.439	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-55.1	129	173.2	-170.2	167.2	-175.1	0	0	109.2	L224 W225	E216-L224 PolarHBondContact O-N 3.17Å; E216-W225 HydrophobicContact CB-CH2 4.33Å; E216-W225 HydrophobicContact CB-CZ2 4.42Å
217	L	79.1	Confident	70.1	Confident	65 Å²	65	66.7 Å²	66.7	34%	0.34	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-103.8	140.8	-174.1	-61.7	-179.8	0	0	0	110	P215 T222	P215-L217 WeakPolarHBondContact O-CG 3.14Å; P215-L217 PolarHBondContact O-N 3.43Å; L217-T222 CarbonylContact C-O 3.57Å; L217-T222 VanDerWaalsContact CA-O 3.23Å; L217-T222 WeakPolarHBondContact CA-O 3.45Å
218	S	77.2	Confident	70.9	Confident	34 Å²	34	65.4 Å²	65.4	24%	0.238	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-67.2	172.7	169.2	75.5	0	0	0	0	111.6	I220 K221 T222	S218-I220 PolarHBondContact O-N 3.29Å; S218-I220 VanDerWaalsContact O-N 3.11Å; S218-I220 PolarHBondContact OG-N 3.15Å; S218-K221 WeakPolarHBondContact O-CA 3.37Å; S218-K221 PolarHBondContact O-N 3.22Å; S218-T222 PolarHBondContact N-O 3.38Å; S218-T222 PolarHBondContact OG-N 2.79Å; S218-T222 PolarHBondContact OG-O 2.77Å; S218-T222 PolarHBondContact OG-OG1 2.85Å
219	N	76	Confident	72.3	Confident	175 Å²	175	60.7 Å²	60.7	94%	0.936	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.9	171.9	-68.1	-23.4	0	0	0	113.1	K221	N219-K221 VanDerWaalsContact C-N 3.27Å
220	I	76.2	Confident	74.1	Confident	79 Å²	79	58.5 Å²	58.5	41%	0.405	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	8.1	179.8	-45.9	175.4	0	0	0	110.9	N194 V197 S218 T222	N194-I220 HydrophobicContact CB-CD1 4.39Å; V197-I220 HydrophobicContact CB-CG2 4.21Å; V197-I220 HydrophobicContact CG1-CG2 4.09Å; V197-I220 HydrophobicContact CG2-CG2 4.17Å; S218-I220 PolarHBondContact O-N 3.29Å; S218-I220 VanDerWaalsContact O-N 3.11Å; S218-I220 PolarHBondContact OG-N 3.15Å; I220-T222 VanDerWaalsContact C-N 3.27Å; I220-T222 PolarHBondContact O-N 3.06Å
221	K	79.7	Confident	76.6	Confident	154 Å²	154	51.4 Å²	51.4	67%	0.67	27%	0.265	S	S	*	.	S	Bend	trans	64.5	24.8	-178.8	-52.5	179.6	179.2	176.3	0	114.4	S218 N219	S218-K221 WeakPolarHBondContact O-CA 3.37Å; S218-K221 PolarHBondContact O-N 3.22Å; N219-K221 VanDerWaalsContact C-N 3.27Å
222	T	81.4	Confident	78.9	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.018	25%	0.254	C	S	.	.			trans	-92.4	152.2	171.5	52.6	0	0	0	0	111.3	E193 V197 L217 S218 I220 L224 W255	E193-T222 VanDerWaalsContact CD-OG1 3.28Å; E193-T222 HydrophobicContact CG-CG2 3.97Å; E193-T222 WeakPolarHBondContact OE1-CB 3.38Å; E193-T222 WeakPolarHBondContact OE1-CG2 3.29Å; E193-T222 PolarHBondContact OE1-OG1 3.44Å; V197-T222 HydrophobicContact CB-CG2 4.44Å; V197-T222 HydrophobicContact CG2-CG2 3.03Å; L217-T222 CarbonylContact C-O 3.57Å; L217-T222 VanDerWaalsContact CA-O 3.23Å; L217-T222 WeakPolarHBondContact CA-O 3.45Å; S218-T222 PolarHBondContact N-O 3.38Å; S218-T222 PolarHBondContact OG-N 2.79Å; S218-T222 PolarHBondContact OG-O 2.77Å; S218-T222 PolarHBondContact OG-OG1 2.85Å; I220-T222 VanDerWaalsContact C-N 3.27Å; I220-T222 PolarHBondContact O-N 3.06Å; T222-L224 PolarHBondContact O-N 2.87Å; T222-W255 HydrophobicContact CG2-CH2 3.9Å; T222-W255 HydrophobicContact CG2-CZ3 3.86Å
223	P	83.2	Confident	81.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-65.8	128.8	174.7	27.9	-33.4	0	0	0	110.3	P215 W225 C227 W255 R266	P215-P223 HydrophobicContact CB-CB 4.23Å; P215-P223 HydrophobicContact CG-CB 3.95Å; P223-W225 PolarHBondContact O-N 2.76Å; P223-C227 WeakPolarHBondContact CB-SG 3.19Å; P223-C227 VanDerWaalsContact CG-SG 3.6Å; P223-W255 HydrophobicContact CG-CB 3.98Å; P223-W255 HydrophobicContact CG-CD2 3.67Å; P223-W255 HydrophobicContact CG-CE3 4.19Å; P223-W255 HydrophobicContact CG-CG 3.54Å; P223-R266 VanDerWaalsContact O-CZ 3.25Å; P223-R266 PolarHBondContact O-NH1 3Å; P223-R266 PolarHBondContact O-NH2 2.92Å
224	L	78.2	Confident	82.8	Confident	63 Å²	63	40.7 Å²	40.7	33%	0.33	21%	0.205	S	C	.	.	S	Bend	trans	-63	-29.8	178.1	-173.6	62.2	0	0	0	112	E216 T222	E216-L224 PolarHBondContact O-N 3.17Å; T222-L224 PolarHBondContact O-N 2.87Å
225	W	78.2	Confident	83.8	Confident	23 Å²	23	39.9 Å²	39.9	9%	0.087	21%	0.207	C	C	.	.	S	Bend	trans	-111	162.4	-177.8	-48.4	-36.9	0	0	0	112.1	E216 P223 C227 R266 W424 N428 H434	E216-W225 HydrophobicContact CB-CH2 4.33Å; E216-W225 HydrophobicContact CB-CZ2 4.42Å; P223-W225 PolarHBondContact O-N 2.76Å; W225-C227 PolarHBondContact O-N 3.2Å; W225-R266 PolarHBondContact O-NH2 2.87Å; W225-W424 HydrophobicContact CE3-CD2 4.46Å; W225-W424 AromaticContact CE3-CE3 3.57Å; W225-W424 HydrophobicContact CE3-CE3 3.57Å; W225-W424 HydrophobicContact CE3-CZ3 4.02Å; W225-W424 HydrophobicContact CZ3-CB 3.85Å; W225-W424 HydrophobicContact CZ3-CD2 4.28Å; W225-W424 AromaticContact CZ3-CE3 3.65Å; W225-W424 HydrophobicContact CZ3-CE3 3.65Å; W225-W424 HydrophobicContact CZ3-CG 4.42Å; W225-W424 WeakPolarHBondContact CZ3-O 3.32Å; W225-N428 HydrophobicContact CH2-CB 3.94Å; W225-N428 HydrophobicContact CZ2-CB 4.22Å; W225-H434 AromaticContact CD1-CD2 3.89Å; W225-H434 AromaticContact CD1-CE1 3.83Å; W225-H434 AromaticContact CD1-CG 3.39Å; W225-H434 AromaticContact CD1-ND1 3.36Å; W225-H434 AromaticContact CE2-CE1 3.37Å; W225-H434 AromaticContact CE2-ND1 3.55Å; W225-H434 AromaticContact CE2-NE2 3.95Å; W225-H434 AromaticContact CZ2-CE1 3.54Å; W225-H434 AromaticContact NE1-CD2 3.39Å; W225-H434 PolarHBondContact NE1-CD2 3.01Å; W225-H434 AromaticContact NE1-CE1 2.89Å; W225-H434 PolarHBondContact NE1-CE1 3.37Å; W225-H434 AromaticContact NE1-CG 3.21Å; W225-H434 AromaticContact NE1-ND1 2.89Å; W225-H434 PolarHBondContact NE1-ND1 2.79Å; W225-H434 AromaticContact NE1-NE2 3.16Å; W225-H434 PolarHBondContact NE1-NE2 3.12Å; W225-H434 VanDerWaalsContact NE1-NE2 3.16Å
226	S	85.8	Confident	84.4	Confident	6 Å²	6	42 Å²	42	4%	0.042	22%	0.22	C	C	.	.			trans	-60.6	119	168.2	-55.2	0	0	0	0	109.8	W255 S257 N436 P438	S226-W255 VanDerWaalsContact CA-O 3.24Å; S226-W255 WeakPolarHBondContact CA-O 3.06Å; S226-W255 WeakPolarHBondContact CB-O 3.39Å; S226-S257 PolarHBondContact OG-N 2.81Å; S226-N436 WeakPolarHBondContact CB-O 3.22Å; S226-N436 PolarHBondContact OG-O 3Å; S226-P438 WeakPolarHBondContact OG-CD 3.35Å
227	C	88	Confident	84.4	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.007	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-150.5	158.8	178	72.3	0	0	0	0	110.6	P223 W225 W255 G359 W424	P223-C227 WeakPolarHBondContact CB-SG 3.19Å; P223-C227 VanDerWaalsContact CG-SG 3.6Å; W225-C227 PolarHBondContact O-N 3.2Å; C227-W255 PolarHBondContact N-O 2.8Å; C227-W255 WeakPolarHBondContact O-CB 3.43Å; C227-W255 PolarHBondContact O-N 2.67Å; C227-G359 CarbonylContact C-O 3.54Å; C227-G359 VanDerWaalsContact CA-O 3.31Å; C227-G359 WeakPolarHBondContact CA-O 3.48Å; C227-W424 HydrophobicContact CB-CH2 3.81Å; C227-W424 HydrophobicContact CB-CZ2 4.43Å
228	E	90.9	Very high	84.1	Confident	10 Å²	10	43.6 Å²	43.6	5%	0.047	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.6	169.5	-176.1	171	-82.3	0	0	110.8	R252 I253 L254 R312 G359 V460	E228-R252 HydrophobicContact CG-CB 4.38Å; E228-R252 WeakPolarHBondContact OE2-CD 3.24Å; E228-R252 IonicContact OE2-CZ 3.74Å; E228-R252 IonicContact OE2-NH1 3.86Å; E228-R252 PolarHBondContact OE2-NH1 3.23Å; E228-I253 CarbonylContact C-O 3.58Å; E228-I253 WeakPolarHBondContact CA-O 3.44Å; E228-L254 HydrophobicContact CB-CD1 4.32Å; E228-R312 IonicContact OE1-CZ 2.67Å; E228-R312 IonicContact OE1-NH1 3.56Å; E228-R312 PolarHBondContact OE1-NH1 3.16Å; E228-R312 IonicContact OE1-NH2 2.86Å; E228-R312 PolarHBondContact OE1-NH2 2.87Å; E228-R312 IonicContact OE2-CZ 3.62Å; E228-R312 IonicContact OE2-NH2 3.48Å; E228-R312 PolarHBondContact OE2-NH2 2.68Å; E228-G359 PolarHBondContact N-O 2.84Å; E228-G359 WeakPolarHBondContact O-CA 3.39Å; E228-V460 HydrophobicContact CB-CG1 3.49Å; E228-V460 VanDerWaalsContact CB-CG1 3.49Å; E228-V460 HydrophobicContact CG-CG1 4.25Å
229	Q	90.3	Very high	83.5	Confident	22 Å²	22	48.1 Å²	48.1	10%	0.103	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.5	175.8	-80.5	-175.6	-13.4	0	0	110	L206 I253	L206-Q229 HydrophobicContact CD1-CB 3.59Å; L206-Q229 HydrophobicContact CD1-CG 4.02Å; Q229-I253 PolarHBondContact N-O 3.28Å; Q229-I253 PolarHBondContact O-N 3.18Å
230	T	91.9	Very high	83.1	Confident	10 Å²	10	43.5 Å²	43.5	6%	0.061	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.2	179	61.1	0	0	0	0	110.5	L206 D207 R252 T464 P465	L206-T230 WeakPolarHBondContact CD1-O 3.32Å; D207-T230 WeakPolarHBondContact CB-O 3.35Å; D207-T230 PolarHBondContact N-O 3.32Å; D207-T230 VanDerWaalsContact N-O 3.1Å; T230-R252 HydrophobicContact CG2-CG 3.83Å; T230-T464 HydrophobicContact CG2-CG2 3.92Å; T230-P465 WeakPolarHBondContact OG1-CD 3.42Å
231	G	91.9	Very high	82.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	-162.4	175.7	0	0	0	0	0	112.8	Q205 P250 V251 F534	Q205-G231 CarbonylContact O-C 3.57Å; Q205-G231 VanDerWaalsContact O-CA 3.27Å; Q205-G231 WeakPolarHBondContact O-CA 3.29Å; G231-P250 WeakPolarHBondContact O-CA 3.27Å; G231-V251 PolarHBondContact N-O 2.76Å; G231-V251 PolarHBondContact O-N 2.99Å; G231-F534 VanDerWaalsContact O-CE1 3.25Å; G231-F534 WeakPolarHBondContact O-CE1 3.44Å
232	I	92.6	Very high	82.6	Confident	15 Å²	15	43.4 Å²	43.4	8%	0.077	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.3	-175	-63.4	171.3	0	0	0	108.8	F204 Q205 V247 W542	F204-I232 WeakPolarHBondContact CA-O 3.48Å; F204-I232 WeakPolarHBondContact CD2-O 3.38Å; Q205-I232 PolarHBondContact N-O 2.84Å; Q205-I232 PolarHBondContact O-N 2.83Å; I232-V247 HydrophobicContact CG2-CB 4.11Å; I232-V247 HydrophobicContact CG2-CG1 3.26Å; I232-V247 HydrophobicContact CG2-CG2 3.79Å; I232-W542 HydrophobicContact CG1-CH2 4.38Å
233	L	93.9	Very high	82.7	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.6	170.5	-169.3	66.2	0	0	0	109.1	I203 L248 G249 V251 M276 A280 L283	I203-L233 HydrophobicContact CB-CD1 4.06Å; I203-L233 HydrophobicContact CD1-CD1 4.01Å; I203-L233 HydrophobicContact CG1-CD1 3.9Å; L233-L248 HydrophobicContact CD2-CD2 3.91Å; L233-L248 HydrophobicContact CG-CD2 4.42Å; L233-L248 WeakPolarHBondContact O-CA 2.93Å; L233-L248 WeakPolarHBondContact O-CB 3.4Å; L233-L248 PolarHBondContact O-N 2.91Å; L233-G249 PolarHBondContact N-O 2.93Å; L233-G249 PolarHBondContact O-N 3.45Å; L233-V251 HydrophobicContact CB-CG1 4.16Å; L233-M276 HydrophobicContact CB-CE 4.08Å; L233-M276 HydrophobicContact CD2-CE 3.89Å; L233-A280 HydrophobicContact CD2-CB 3.75Å; L233-L283 HydrophobicContact CD1-CD2 4.3Å
234	Y	91.9	Very high	82.9	Confident	27 Å²	27	47 Å²	47	11%	0.106	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	156.6	175.1	-70.3	-67.8	0	0	0	111.8	I203 Q205 T236 R245 V247 L283	I203-Y234 WeakPolarHBondContact O-CB 3.26Å; I203-Y234 WeakPolarHBondContact O-CD2 3.43Å; I203-Y234 PolarHBondContact O-N 2.78Å; Q205-Y234 HydrophobicContact CB-CE2 3.63Å; Q205-Y234 PolarHBondContact OE1-OH 3.49Å; Y234-T236 VanDerWaalsContact C-N 3.34Å; Y234-R245 HydrophobicContact CD1-CB 4.04Å; Y234-R245 VanDerWaalsContact CD1-CD 3.47Å; Y234-R245 HydrophobicContact CD1-CG 3.5Å; Y234-R245 VanDerWaalsContact CD1-CG 3.5Å; Y234-R245 VanDerWaalsContact CD2-CZ 3.41Å; Y234-R245 VanDerWaalsContact CD2-NH1 3.28Å; Y234-R245 HydrophobicContact CE1-CB 3.81Å; Y234-R245 HydrophobicContact CE1-CG 3.76Å; Y234-R245 HydrophobicContact CG-CG 4.02Å; Y234-R245 VanDerWaalsContact CG-NE 3.34Å; Y234-V247 HydrophobicContact CD1-CG2 4.1Å; Y234-V247 HydrophobicContact CE1-CG2 3.92Å; Y234-L283 WeakPolarHBondContact O-CD1 3.42Å
235	A	88	Confident	83.4	Confident	45 Å²	45	44.8 Å²	44.8	37%	0.372	22%	0.223	S	C	.	.	S	Bend	trans	-85.4	-6.2	-179.7	0	0	0	0	0	113.6	P246 L248 L283	A235-P246 HydrophobicContact CB-CB 4.18Å; A235-P246 HydrophobicContact CB-CG 4.29Å; A235-P246 PolarHBondContact N-O 2.97Å; A235-L248 HydrophobicContact CB-CB 4.22Å; A235-L283 WeakPolarHBondContact O-CD1 3.12Å
236	T	84.4	Confident	83.9	Confident	55 Å²	55	46.4 Å²	46.4	34%	0.337	24%	0.236	S	C	.	.			trans	-125.3	145.2	-178	57.7	0	0	0	0	110.3	Y234 K238 R245 P246	Y234-T236 VanDerWaalsContact C-N 3.34Å; T236-K238 VanDerWaalsContact C-N 3.35Å; T236-R245 PolarHBondContact O-NH2 2.97Å; T236-R245 PolarHBondContact OG1-NE 3.46Å; T236-P246 HydrophobicContact CG2-CG 3.9Å
237	N	74.5	Confident	84.3	Confident	22 Å²	22	46.7 Å²	46.7	12%	0.118	24%	0.238	C	C	.	.	S	Bend	trans	-82	-12.9	176.1	-165.5	31.6	0	0	0	113.5	I203 Y239 S287 E290	I203-N237 HydrophobicContact CG2-CB 4.42Å; I203-N237 WeakPolarHBondContact CG2-OD1 3.38Å; N237-Y239 PolarHBondContact O-N 2.99Å; N237-S287 WeakPolarHBondContact ND2-CA 3.05Å; N237-S287 VanDerWaalsContact OD1-CB 3.31Å; N237-S287 WeakPolarHBondContact OD1-CB 3.4Å; N237-S287 PolarHBondContact OD1-OG 3.36Å; N237-E290 VanDerWaalsContact ND2-CD 3.31Å; N237-E290 PolarHBondContact ND2-OE2 3.01Å
238	K	71.8	Confident	84.6	Confident	170 Å²	170	47.3 Å²	47.3	74%	0.739	24%	0.241	S	C	*	.	S	Bend	trans	-77.6	118.3	-179.8	-64.5	-178.1	-179.1	178.1	0	109.4	T236 V240 R245	T236-K238 VanDerWaalsContact C-N 3.35Å; K238-V240 VanDerWaalsContact C-N 3.26Å; K238-V240 HydrophobicContact CB-CG2 4.22Å; K238-V240 PolarHBondContact O-N 2.54Å; K238-R245 PolarHBondContact O-NH2 2.83Å
239	Y	65.8	Low	84.8	Confident	129 Å²	129	46.8 Å²	46.8	51%	0.506	24%	0.239	S	C	.	.			trans	-68.2	86.8	172.4	-172.5	-98	0	0	0	110	N201 N237 K241	N201-Y239 WeakPolarHBondContact O-CD2 3.48Å; N237-Y239 PolarHBondContact O-N 2.99Å; Y239-K241 HydrophobicContact CD1-CG 4.25Å; Y239-K241 HydrophobicContact CE1-CD 4.03Å; Y239-K241 VanDerWaalsContact CE1-CE 3.47Å; Y239-K241 HydrophobicContact CE1-CG 3.38Å; Y239-K241 WeakPolarHBondContact OH-CE 3.5Å
240	V	66.4	Low	85	Confident	79 Å²	79	46.2 Å²	46.2	48%	0.479	24%	0.237	S	C	.	.			trans	-103.2	117.5	168.6	-169.9	0	0	0	0	106.2	K238 D242	K238-V240 VanDerWaalsContact C-N 3.26Å; K238-V240 HydrophobicContact CB-CG2 4.22Å; K238-V240 PolarHBondContact O-N 2.54Å; V240-D242 HydrophobicContact CG1-CB 3.68Å; V240-D242 PolarHBondContact O-N 3.36Å
241	K	67.6	Low	85.2	Confident	178 Å²	178	45.8 Å²	45.8	77%	0.774	23%	0.234	S	C	*	.			trans	-73.3	51.1	171.5	-65.7	-172.7	-178.2	179.8	0	110.6	Y239	Y239-K241 HydrophobicContact CD1-CG 4.25Å; Y239-K241 HydrophobicContact CE1-CD 4.03Å; Y239-K241 VanDerWaalsContact CE1-CE 3.47Å; Y239-K241 HydrophobicContact CE1-CG 3.38Å; Y239-K241 WeakPolarHBondContact OH-CE 3.5Å
242	D	78.8	Confident	85.3	Confident	52 Å²	52	46.3 Å²	46.3	28%	0.278	24%	0.236	S	C	.	.			trans	-101.9	137.4	177.6	-172.3	15.8	0	0	0	110.3	V240 S244 R245	V240-D242 HydrophobicContact CG1-CB 3.68Å; V240-D242 PolarHBondContact O-N 3.36Å; D242-S244 PolarHBondContact O-N 2.93Å; D242-S244 PolarHBondContact OD1-N 2.97Å; D242-S244 WeakPolarHBondContact OD2-CB 3.5Å; D242-S244 PolarHBondContact OD2-OG 2.83Å; D242-R245 VanDerWaalsContact O-CB 3.26Å; D242-R245 WeakPolarHBondContact O-CB 3.33Å; D242-R245 PolarHBondContact O-N 3.03Å
243	I	83.7	Confident	85.4	Confident	40 Å²	40	45.6 Å²	45.6	21%	0.205	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-26.4	178.3	-61.7	157.6	0	0	0	110.3	R245 F630 L632 E634 L637	I243-R245 VanDerWaalsContact C-N 3.32Å; I243-F630 HydrophobicContact CG2-CE2 3.83Å; I243-F630 HydrophobicContact CG2-CZ 4.06Å; I243-F630 WeakPolarHBondContact O-CE2 3.24Å; I243-L632 HydrophobicContact CG2-CD1 3.29Å; I243-E634 HydrophobicContact CG1-CG 4.28Å; I243-L637 HydrophobicContact CD1-CD1 3.55Å; I243-L637 HydrophobicContact CG1-CD1 4.27Å; I243-L637 HydrophobicContact CG2-CD1 4.42Å
244	S	86.2	Confident	85.3	Confident	40 Å²	40	45.5 Å²	45.5	28%	0.28	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-0.4	179	89.2	0	0	0	0	114.5	D242	D242-S244 PolarHBondContact O-N 2.93Å; D242-S244 PolarHBondContact OD1-N 2.97Å; D242-S244 WeakPolarHBondContact OD2-CB 3.5Å; D242-S244 PolarHBondContact OD2-OG 2.83Å
245	R	88	Confident	85.2	Confident	15 Å²	15	44.8 Å²	44.8	6%	0.057	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-54.4	127.1	-172.2	-172.5	178.5	-179.6	-171.6	-2.3	111.4	D202 Y234 T236 K238 D242 I243 V247	D202-R245 PolarHBondContact O-NH1 3.23Å; D202-R245 PolarHBondContact O-NH2 2.73Å; Y234-R245 HydrophobicContact CD1-CB 4.04Å; Y234-R245 VanDerWaalsContact CD1-CD 3.47Å; Y234-R245 HydrophobicContact CD1-CG 3.5Å; Y234-R245 VanDerWaalsContact CD1-CG 3.5Å; Y234-R245 VanDerWaalsContact CD2-CZ 3.41Å; Y234-R245 VanDerWaalsContact CD2-NH1 3.28Å; Y234-R245 HydrophobicContact CE1-CB 3.81Å; Y234-R245 HydrophobicContact CE1-CG 3.76Å; Y234-R245 HydrophobicContact CG-CG 4.02Å; Y234-R245 VanDerWaalsContact CG-NE 3.34Å; T236-R245 PolarHBondContact O-NH2 2.97Å; T236-R245 PolarHBondContact OG1-NE 3.46Å; K238-R245 PolarHBondContact O-NH2 2.83Å; D242-R245 VanDerWaalsContact O-CB 3.26Å; D242-R245 WeakPolarHBondContact O-CB 3.33Å; D242-R245 PolarHBondContact O-N 3.03Å; I243-R245 VanDerWaalsContact C-N 3.32Å; R245-V247 PolarHBondContact O-N 2.52Å
246	P	90.6	Very high	85.2	Confident	57 Å²	57	42.6 Å²	42.6	37%	0.37	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-66.7	124.8	-173.1	25.9	-35.4	0	0	0	111.4	A235 T236	A235-P246 HydrophobicContact CB-CB 4.18Å; A235-P246 HydrophobicContact CB-CG 4.29Å; A235-P246 PolarHBondContact N-O 2.97Å; T236-P246 HydrophobicContact CG2-CG 3.9Å
247	V	93	Very high	85.1	Confident	12 Å²	12	40.9 Å²	40.9	7%	0.073	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	129.5	-179.9	170.8	0	0	0	0	110.4	I232 Y234 R245 W542 T545	I232-V247 HydrophobicContact CG2-CB 4.11Å; I232-V247 HydrophobicContact CG2-CG1 3.26Å; I232-V247 HydrophobicContact CG2-CG2 3.79Å; Y234-V247 HydrophobicContact CD1-CG2 4.1Å; Y234-V247 HydrophobicContact CE1-CG2 3.92Å; R245-V247 PolarHBondContact O-N 2.52Å; V247-W542 HydrophobicContact CG1-CZ3 4.19Å; V247-T545 HydrophobicContact CB-CG2 4.34Å; V247-T545 HydrophobicContact CG1-CG2 4.01Å; V247-T545 WeakPolarHBondContact O-CG2 3.24Å
248	L	94.1	Very high	85.1	Confident	14 Å²	14	42.8 Å²	42.8	7%	0.073	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-43.5	172.9	-173.2	60.1	0	0	0	111.3	L233 A235 M276 A280	L233-L248 HydrophobicContact CD2-CD2 3.91Å; L233-L248 HydrophobicContact CG-CD2 4.42Å; L233-L248 WeakPolarHBondContact O-CA 2.93Å; L233-L248 WeakPolarHBondContact O-CB 3.4Å; L233-L248 PolarHBondContact O-N 2.91Å; A235-L248 HydrophobicContact CB-CB 4.22Å; L248-M276 HydrophobicContact CB-CE 4.36Å; L248-M276 HydrophobicContact CD1-CB 4.23Å; L248-M276 HydrophobicContact CD2-CE 4.16Å; L248-M276 HydrophobicContact CG-CB 4.04Å; L248-M276 HydrophobicContact CG-CE 3.94Å; L248-A280 HydrophobicContact CD2-CB 3.79Å
249	G	95	Very high	84.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.1	-178.5	173.1	0	0	0	0	0	114	L233	L233-G249 PolarHBondContact N-O 2.93Å; L233-G249 PolarHBondContact O-N 3.45Å
250	P	95.7	Very high	84.7	Confident	9 Å²	9	35.3 Å²	35.3	6%	0.058	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	143.7	178.1	30	-32.8	0	0	0	112	G231 F534 F537 W542	G231-P250 WeakPolarHBondContact O-CA 3.27Å; P250-F534 HydrophobicContact CB-CB 4.3Å; P250-F534 HydrophobicContact CB-CD1 3.48Å; P250-F534 VanDerWaalsContact CB-CD1 3.48Å; P250-F534 HydrophobicContact CB-CE1 3.81Å; P250-F534 HydrophobicContact CB-CG 3.88Å; P250-F534 HydrophobicContact CB-CZ 4.48Å; P250-F537 VanDerWaalsContact CD-CD2 3.46Å; P250-F537 HydrophobicContact CG-CB 3.65Å; P250-F537 HydrophobicContact CG-CD1 4.39Å; P250-F537 HydrophobicContact CG-CD2 4.23Å; P250-F537 HydrophobicContact CG-CG 3.85Å; P250-W542 HydrophobicContact CB-CH2 3.95Å; P250-W542 HydrophobicContact CB-CZ2 3.9Å; P250-W542 HydrophobicContact CG-CH2 4.12Å; P250-W542 HydrophobicContact CG-CZ2 3.77Å
251	V	95.3	Very high	84.4	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	145.6	176.2	67.4	0	0	0	0	110.8	F204 G231 L233 I253 L270 L272	F204-V251 HydrophobicContact CD2-CG1 3.41Å; F204-V251 VanDerWaalsContact CD2-CG1 3.41Å; F204-V251 HydrophobicContact CE2-CG1 3.32Å; G231-V251 PolarHBondContact N-O 2.76Å; G231-V251 PolarHBondContact O-N 2.99Å; L233-V251 HydrophobicContact CB-CG1 4.16Å; V251-I253 HydrophobicContact CG1-CG1 4.36Å; V251-I253 HydrophobicContact CG2-CG1 4.44Å; V251-L270 HydrophobicContact CG2-CB 4.09Å; V251-L270 HydrophobicContact CG2-CD2 4.26Å; V251-L272 HydrophobicContact CG2-CB 4.29Å; V251-L272 HydrophobicContact CG2-CD2 4.49Å
252	R	94.8	Very high	84.3	Confident	11 Å²	11	33.9 Å²	33.9	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.1	172.6	-68.4	178.4	170.9	-97.1	1.4	108.7	E228 T230 W271 R314 N462	E228-R252 HydrophobicContact CG-CB 4.38Å; E228-R252 WeakPolarHBondContact OE2-CD 3.24Å; E228-R252 IonicContact OE2-CZ 3.74Å; E228-R252 IonicContact OE2-NH1 3.86Å; E228-R252 PolarHBondContact OE2-NH1 3.23Å; T230-R252 HydrophobicContact CG2-CG 3.83Å; R252-W271 HydrophobicContact CB-CB 4.22Å; R252-W271 PolarHBondContact N-O 2.95Å; R252-W271 PolarHBondContact O-N 3.19Å; R252-R314 VanDerWaalsContact CZ-NH2 3.28Å; R252-N462 PolarHBondContact NH1-O 3.32Å; R252-N462 PolarHBondContact NH2-O 3.44Å; R252-N462 VanDerWaalsContact NH2-O 3.16Å
253	I	94	Very high	83.5	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	111.5	-177.2	-58.5	-171.2	0	0	0	107.7	L200 F204 E228 Q229 V251 I268 L270	L200-I253 HydrophobicContact CD1-CD1 4.36Å; L200-I253 HydrophobicContact CD2-CD1 4.26Å; F204-I253 HydrophobicContact CD1-CD1 3.81Å; F204-I253 HydrophobicContact CD2-CD1 3.75Å; F204-I253 HydrophobicContact CE1-CD1 3.68Å; F204-I253 HydrophobicContact CE2-CD1 3.62Å; F204-I253 HydrophobicContact CE2-CG1 4.13Å; F204-I253 HydrophobicContact CG-CD1 3.83Å; F204-I253 HydrophobicContact CZ-CD1 3.57Å; F204-I253 HydrophobicContact CZ-CG1 4.15Å; E228-I253 CarbonylContact C-O 3.58Å; E228-I253 WeakPolarHBondContact CA-O 3.44Å; Q229-I253 PolarHBondContact N-O 3.28Å; Q229-I253 PolarHBondContact O-N 3.18Å; V251-I253 HydrophobicContact CG1-CG1 4.36Å; V251-I253 HydrophobicContact CG2-CG1 4.44Å; I253-I268 HydrophobicContact CG2-CD1 4.4Å; I253-I268 HydrophobicContact CG2-CG2 3.32Å; I253-L270 HydrophobicContact CG1-CG 4.39Å
254	L	92.8	Very high	83.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114.9	170.5	177.4	65.7	0	0	0	108.3	E228 I268 W269 V361 L442 V460 I480	E228-L254 HydrophobicContact CB-CD1 4.32Å; L254-I268 WeakPolarHBondContact O-CA 3.37Å; L254-W269 HydrophobicContact CB-CB 4.32Å; L254-W269 HydrophobicContact CB-CE3 4.24Å; L254-W269 HydrophobicContact CD2-CE3 3.83Å; L254-W269 HydrophobicContact CD2-CZ3 4.39Å; L254-W269 HydrophobicContact CG-CE3 3.89Å; L254-W269 HydrophobicContact CG-CZ3 4.42Å; L254-W269 PolarHBondContact N-O 2.91Å; L254-W269 PolarHBondContact O-N 3.41Å; L254-V361 HydrophobicContact CD1-CB 4.47Å; L254-V361 HydrophobicContact CD1-CG1 4.28Å; L254-V361 HydrophobicContact CD1-CG2 3.38Å; L254-L442 HydrophobicContact CD2-CD1 3.58Å; L254-V460 HydrophobicContact CD1-CG2 4.44Å; L254-I480 HydrophobicContact CD2-CD1 4.27Å
255	W	89.8	Confident	83.3	Confident	11 Å²	11	39.5 Å²	39.5	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	128	174.8	-67.1	85	0	0	0	110.1	L196 V197 L200 T222 P223 S226 C227 I268	L196-W255 HydrophobicContact CD2-CH2 3.61Å; L196-W255 HydrophobicContact CD2-CZ3 3.59Å; V197-W255 HydrophobicContact CG2-CH2 4.42Å; L200-W255 HydrophobicContact CD1-CH2 3.82Å; L200-W255 HydrophobicContact CD1-CZ2 3.79Å; T222-W255 HydrophobicContact CG2-CH2 3.9Å; T222-W255 HydrophobicContact CG2-CZ3 3.86Å; P223-W255 HydrophobicContact CG-CB 3.98Å; P223-W255 HydrophobicContact CG-CD2 3.67Å; P223-W255 HydrophobicContact CG-CE3 4.19Å; P223-W255 HydrophobicContact CG-CG 3.54Å; S226-W255 VanDerWaalsContact CA-O 3.24Å; S226-W255 WeakPolarHBondContact CA-O 3.06Å; S226-W255 WeakPolarHBondContact CB-O 3.39Å; C227-W255 PolarHBondContact N-O 2.8Å; C227-W255 WeakPolarHBondContact O-CB 3.43Å; C227-W255 PolarHBondContact O-N 2.67Å; W255-I268 HydrophobicContact CD2-CD1 3.7Å; W255-I268 HydrophobicContact CD2-CG1 4.18Å; W255-I268 HydrophobicContact CE3-CD1 3.33Å; W255-I268 HydrophobicContact CE3-CG1 3.84Å; W255-I268 HydrophobicContact CH2-CD1 3.56Å; W255-I268 HydrophobicContact CZ2-CD1 3.9Å; W255-I268 HydrophobicContact CZ3-CD1 3.3Å; W255-I268 HydrophobicContact CZ3-CG1 4.23Å
256	G	87.2	Confident	83.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	179.5	168.9	0	0	0	0	0	112.8	R266 H267 D439	G256-R266 VanDerWaalsContact O-CZ 3.24Å; G256-R266 PolarHBondContact O-NE 3.1Å; G256-R266 PolarHBondContact O-NH2 3.4Å; G256-H267 WeakPolarHBondContact CA-O 3.24Å; G256-H267 PolarHBondContact N-O 2.86Å; G256-D439 WeakPolarHBondContact CA-OD1 3.48Å
257	S	81.8	Confident	83.2	Confident	18 Å²	18	37.7 Å²	37.7	13%	0.126	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	158.7	171	51.7	0	0	0	0	111	S226 N259 S437 D439	S226-S257 PolarHBondContact OG-N 2.81Å; S257-N259 PolarHBondContact O-N 2.79Å; S257-S437 WeakPolarHBondContact OG-CA 3.31Å; S257-S437 WeakPolarHBondContact OG-CB 3.16Å; S257-D439 PolarHBondContact N-OD1 3.35Å; S257-D439 PolarHBondContact OG-OD2 2.89Å
258	L	75.5	Confident	83.1	Confident	63 Å²	63	37.2 Å²	37.2	33%	0.33	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	133.8	165.2	-71.1	157.6	0	0	0	108.9	S260 E263	L258-S260 PolarHBondContact O-N 3.01Å; L258-E263 VanDerWaalsContact CD2-O 3.32Å; L258-E263 WeakPolarHBondContact CD2-O 3.38Å
259	N	65.4	Low	83.1	Confident	34 Å²	34	36.6 Å²	36.6	18%	0.182	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-69.2	129.3	-175.2	-173.4	-10.6	0	0	0	110.2	Y190 S257 L261 N262 E263 F265	Y190-N259 PolarHBondContact OH-ND2 2.89Å; S257-N259 PolarHBondContact O-N 2.79Å; N259-L261 PolarHBondContact O-N 3.47Å; N259-L261 PolarHBondContact OD1-N 3.39Å; N259-N262 CarbonylContact O-C 3.54Å; N259-N262 PolarHBondContact O-N 2.9Å; N259-N262 VanDerWaalsContact O-O 3.14Å; N259-E263 WeakPolarHBondContact O-CA 3.43Å; N259-E263 PolarHBondContact O-N 2.82Å; N259-F265 HydrophobicContact CB-CB 4.36Å; N259-F265 WeakPolarHBondContact CB-O 3.41Å; N259-F265 PolarHBondContact N-O 2.8Å
260	S	62.2	Low	83.2	Confident	107 Å²	107	36.7 Å²	36.7	75%	0.748	20%	0.201	S	C	*	.	S	Bend	trans	-62.9	-29	-179.5	56.9	0	0	0	0	113.6	L258	L258-S260 PolarHBondContact O-N 3.01Å
261	L	61.7	Low	83.2	Confident	149 Å²	149	36.6 Å²	36.6	78%	0.78	20%	0.2	S	C	*	.	S	Bend	trans	-81.4	-42.8	-178.5	-66	174.6	0	0	0	111.8	N259	N259-L261 PolarHBondContact O-N 3.47Å; N259-L261 PolarHBondContact OD1-N 3.39Å
262	N	64.4	Low	83.2	Confident	78 Å²	78	36.7 Å²	36.7	42%	0.417	20%	0.2	S	C	.	.	S	Bend	trans	-124.9	91.1	178.1	-66.1	-10	0	0	0	107.1	N259 S264 F265	N259-N262 CarbonylContact O-C 3.54Å; N259-N262 PolarHBondContact O-N 2.9Å; N259-N262 VanDerWaalsContact O-O 3.14Å; N262-S264 PolarHBondContact O-N 2.88Å; N262-F265 HydrophobicContact CB-CB 4.07Å; N262-F265 HydrophobicContact CB-CD2 3.6Å; N262-F265 HydrophobicContact CB-CE2 4.31Å; N262-F265 HydrophobicContact CB-CG 4.06Å; N262-F265 PolarHBondContact O-N 2.66Å
263	E	63	Low	83.3	Confident	160 Å²	160	36.7 Å²	36.7	75%	0.748	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-17.4	-175.3	-65.5	-174.9	164.6	0	0	113.6	L258 N259	L258-E263 VanDerWaalsContact CD2-O 3.32Å; L258-E263 WeakPolarHBondContact CD2-O 3.38Å; N259-E263 WeakPolarHBondContact O-CA 3.43Å; N259-E263 PolarHBondContact O-N 2.82Å
264	S	78.9	Confident	83.4	Confident	65 Å²	65	37.5 Å²	37.5	46%	0.455	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-13.2	175.6	57.3	0	0	0	0	114.7	P192 E193 N262	P192-S264 CarbonylContact C-O 3.49Å; P192-S264 VanDerWaalsContact CA-O 3.25Å; P192-S264 WeakPolarHBondContact CA-O 3.31Å; E193-S264 PolarHBondContact N-O 3.03Å; N262-S264 PolarHBondContact O-N 2.88Å
265	F	85.6	Confident	83.5	Confident	25 Å²	25	39.5 Å²	39.5	11%	0.11	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	144.3	-174.7	-78.3	-116.4	0	0	0	112.1	Y190 G191 P192 N259 N262 C299	Y190-F265 AromaticContact CE1-CD1 3.85Å; Y190-F265 HydrophobicContact CE1-CD1 3.85Å; Y190-F265 HydrophobicContact CE1-CE1 4.42Å; Y190-F265 HydrophobicContact CE2-CB 3.99Å; Y190-F265 HydrophobicContact CE2-CD1 4.2Å; Y190-F265 AromaticContact CZ-CD1 3.67Å; G191-F265 WeakPolarHBondContact O-CA 3.36Å; P192-F265 HydrophobicContact CG-CE1 4.22Å; P192-F265 HydrophobicContact CG-CE2 4.08Å; P192-F265 HydrophobicContact CG-CZ 3.93Å; N259-F265 HydrophobicContact CB-CB 4.36Å; N259-F265 WeakPolarHBondContact CB-O 3.41Å; N259-F265 PolarHBondContact N-O 2.8Å; N262-F265 HydrophobicContact CB-CB 4.07Å; N262-F265 HydrophobicContact CB-CD2 3.6Å; N262-F265 HydrophobicContact CB-CE2 4.31Å; N262-F265 HydrophobicContact CB-CG 4.06Å; N262-F265 PolarHBondContact O-N 2.66Å; F265-C299 HydrophobicContact CE2-CB 4.26Å; F265-C299 HydrophobicContact CZ-CB 3.66Å
266	R	87.1	Confident	83.8	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	146.6	-176.9	-164.2	168	-174.1	174.2	4.7	112.3	G191 E193 P223 W225 G256	G191-R266 PolarHBondContact N-O 3.07Å; G191-R266 PolarHBondContact O-N 2.93Å; E193-R266 IonicContact OE1-CZ 2.78Å; E193-R266 IonicContact OE1-NH1 2.71Å; E193-R266 PolarHBondContact OE1-NH1 3.21Å; P223-R266 VanDerWaalsContact O-CZ 3.25Å; P223-R266 PolarHBondContact O-NH1 3Å; P223-R266 PolarHBondContact O-NH2 2.92Å; W225-R266 PolarHBondContact O-NH2 2.87Å; G256-R266 VanDerWaalsContact O-CZ 3.24Å; G256-R266 PolarHBondContact O-NE 3.1Å; G256-R266 PolarHBondContact O-NH2 3.4Å
267	H	89.1	Confident	84.1	Confident	35 Å²	35	40 Å²	40	16%	0.162	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	143.7	170.3	-75.8	-74.8	0	0	0	112	Q188 Y190 G256 W269 D439	Q188-H267 PolarHBondContact NE2-ND1 3.27Å; Y190-H267 AromaticContact CD2-CD2 3.6Å; Y190-H267 AromaticContact CD2-CE1 3.05Å; Y190-H267 WeakPolarHBondContact CD2-CE1 3.36Å; Y190-H267 AromaticContact CD2-CG 3.62Å; Y190-H267 AromaticContact CD2-ND1 3.29Å; Y190-H267 VanDerWaalsContact CD2-ND1 3.29Å; Y190-H267 WeakPolarHBondContact CD2-ND1 3.3Å; Y190-H267 AromaticContact CD2-NE2 3.27Å; Y190-H267 VanDerWaalsContact CD2-NE2 3.27Å; Y190-H267 WeakPolarHBondContact CD2-NE2 3.2Å; Y190-H267 AromaticContact CE2-CD2 3.76Å; Y190-H267 AromaticContact CE2-CE1 3.65Å; Y190-H267 AromaticContact CE2-NE2 3.37Å; Y190-H267 WeakPolarHBondContact CE2-NE2 3.48Å; Y190-H267 AromaticContact CG-CE1 3.37Å; Y190-H267 AromaticContact CG-ND1 3.7Å; Y190-H267 AromaticContact CG-NE2 3.99Å; G256-H267 WeakPolarHBondContact CA-O 3.24Å; G256-H267 PolarHBondContact N-O 2.86Å; H267-W269 HydrophobicContact CB-CH2 3.69Å; H267-W269 HydrophobicContact CB-CZ2 3.9Å; H267-W269 HydrophobicContact CB-CZ3 4.2Å; H267-D439 IonicContact CD2-OD2 2.67Å; H267-D439 PolarHBondContact CD2-OD2 2.87Å
268	I	92.3	Very high	84.7	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	141.3	168.9	-66.3	-172.4	0	0	0	110.4	Q188 I189 L196 L200 I253 L254 W255 L270	Q188-I268 CarbonylContact C-O 3.32Å; Q188-I268 WeakPolarHBondContact CA-O 3.33Å; I189-I268 PolarHBondContact N-O 3.04Å; I189-I268 PolarHBondContact O-N 3.3Å; L196-I268 HydrophobicContact CD1-CB 4.38Å; L196-I268 HydrophobicContact CD1-CD1 3.52Å; L196-I268 HydrophobicContact CD1-CG1 3.81Å; L196-I268 HydrophobicContact CD2-CD1 3.19Å; L196-I268 HydrophobicContact CD2-CG1 4.31Å; L196-I268 HydrophobicContact CG-CD1 3.82Å; L200-I268 HydrophobicContact CD1-CD1 3.88Å; I253-I268 HydrophobicContact CG2-CD1 4.4Å; I253-I268 HydrophobicContact CG2-CG2 3.32Å; L254-I268 WeakPolarHBondContact O-CA 3.37Å; W255-I268 HydrophobicContact CD2-CD1 3.7Å; W255-I268 HydrophobicContact CD2-CG1 4.18Å; W255-I268 HydrophobicContact CE3-CD1 3.33Å; W255-I268 HydrophobicContact CE3-CG1 3.84Å; W255-I268 HydrophobicContact CH2-CD1 3.56Å; W255-I268 HydrophobicContact CZ2-CD1 3.9Å; W255-I268 HydrophobicContact CZ3-CD1 3.3Å; W255-I268 HydrophobicContact CZ3-CG1 4.23Å; I268-L270 HydrophobicContact CG2-CD1 3.87Å; I268-L270 HydrophobicContact CG2-CG 4.4Å
269	W	94.3	Very high	85.6	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.7	170.8	-57.1	-88.1	0	0	0	111.2	F187 L254 H267 P438 D439 L442	F187-W269 CarbonylContact O-C 3.6Å; F187-W269 WeakPolarHBondContact O-CA 3.22Å; L254-W269 HydrophobicContact CB-CB 4.32Å; L254-W269 HydrophobicContact CB-CE3 4.24Å; L254-W269 HydrophobicContact CD2-CE3 3.83Å; L254-W269 HydrophobicContact CD2-CZ3 4.39Å; L254-W269 HydrophobicContact CG-CE3 3.89Å; L254-W269 HydrophobicContact CG-CZ3 4.42Å; L254-W269 PolarHBondContact N-O 2.91Å; L254-W269 PolarHBondContact O-N 3.41Å; H267-W269 HydrophobicContact CB-CH2 3.69Å; H267-W269 HydrophobicContact CB-CZ2 3.9Å; H267-W269 HydrophobicContact CB-CZ3 4.2Å; W269-P438 HydrophobicContact CH2-CG 4.27Å; W269-P438 HydrophobicContact CZ3-CB 4.41Å; W269-P438 HydrophobicContact CZ3-CG 3.9Å; W269-D439 HydrophobicContact CH2-CB 4.38Å; W269-D439 WeakPolarHBondContact CH2-OD1 3.48Å; W269-L442 HydrophobicContact CD2-CD1 3.95Å; W269-L442 HydrophobicContact CE3-CD1 3.97Å; W269-L442 HydrophobicContact CH2-CB 4.08Å; W269-L442 HydrophobicContact CH2-CD1 4.13Å; W269-L442 HydrophobicContact CZ2-CB 3.52Å; W269-L442 HydrophobicContact CZ2-CD1 4.12Å; W269-L442 HydrophobicContact CZ2-CG 4.45Å; W269-L442 HydrophobicContact CZ3-CD1 4.07Å
270	L	95.8	Very high	87	Confident	2 Å²	2	41 Å²	41	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	113	176.2	-64.5	90.9	0	0	0	109.2	C186 F187 I189 V251 I253 I268 L272 L284	C186-L270 VanDerWaalsContact CA-O 3.3Å; C186-L270 WeakPolarHBondContact CA-O 3.2Å; F187-L270 HydrophobicContact CB-CB 4.47Å; F187-L270 PolarHBondContact N-O 3.1Å; F187-L270 PolarHBondContact O-N 3.45Å; I189-L270 HydrophobicContact CD1-CD1 3.63Å; I189-L270 HydrophobicContact CG1-CD1 3.91Å; V251-L270 HydrophobicContact CG2-CB 4.09Å; V251-L270 HydrophobicContact CG2-CD2 4.26Å; I253-L270 HydrophobicContact CG1-CG 4.39Å; I268-L270 HydrophobicContact CG2-CD1 3.87Å; I268-L270 HydrophobicContact CG2-CG 4.4Å; L270-L272 HydrophobicContact CB-CD2 4.13Å; L270-L284 HydrophobicContact CD2-CD1 4.34Å; L270-L284 HydrophobicContact CD2-CD2 4.43Å
271	W	96.5	Very high	88.6	Confident	7 Å²	7	39 Å²	39	3%	0.027	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.5	171.8	-71.8	103	0	0	0	110.2	L184 N185 C186 R252 F310	L184-W271 HydrophobicContact CB-CE3 3.85Å; L184-W271 HydrophobicContact CB-CZ3 4.34Å; L184-W271 WeakPolarHBondContact O-CZ3 3.43Å; N185-W271 WeakPolarHBondContact O-CA 3.2Å; N185-W271 VanDerWaalsContact O-CE3 3.24Å; C186-W271 HydrophobicContact CB-CD2 3.99Å; C186-W271 HydrophobicContact CB-CE3 3.64Å; C186-W271 HydrophobicContact CB-CH2 3.37Å; C186-W271 HydrophobicContact CB-CZ2 3.71Å; C186-W271 HydrophobicContact CB-CZ3 3.36Å; C186-W271 WeakPolarHBondContact SG-CZ2 3.5Å; R252-W271 HydrophobicContact CB-CB 4.22Å; R252-W271 PolarHBondContact N-O 2.95Å; R252-W271 PolarHBondContact O-N 3.19Å; W271-F310 HydrophobicContact CH2-CB 3.89Å; W271-F310 HydrophobicContact CH2-CD2 4.13Å; W271-F310 HydrophobicContact CZ2-CB 3.91Å; W271-F310 AromaticContact CZ2-CD2 3.9Å; W271-F310 HydrophobicContact CZ2-CD2 3.9Å; W271-F310 HydrophobicContact CZ2-CG 4.3Å
272	L	96.1	Very high	90.2	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	161.4	-178.8	55.3	127.7	0	0	0	111.8	N185 F187 V251 L270 M276 S277 A280	N185-L272 HydrophobicContact CB-CG 4.48Å; N185-L272 PolarHBondContact N-O 3.12Å; N185-L272 PolarHBondContact O-N 3.42Å; F187-L272 HydrophobicContact CD2-CD2 3.58Å; F187-L272 HydrophobicContact CE2-CD1 3.89Å; F187-L272 HydrophobicContact CE2-CD2 3.8Å; F187-L272 HydrophobicContact CE2-CG 4.39Å; F187-L272 HydrophobicContact CG-CD2 4.28Å; F187-L272 HydrophobicContact CZ-CD1 4.36Å; V251-L272 HydrophobicContact CG2-CB 4.29Å; V251-L272 HydrophobicContact CG2-CD2 4.49Å; L270-L272 HydrophobicContact CB-CD2 4.13Å; L272-M276 HydrophobicContact CB-CE 4.36Å; L272-M276 HydrophobicContact CB-CG 4.45Å; L272-M276 HydrophobicContact CB-SD 4.41Å; L272-M276 HydrophobicContact CD1-CG 4.08Å; L272-S277 VanDerWaalsContact CD1-CA 3.45Å; L272-A280 HydrophobicContact CD1-CB 3.86Å
273	H	96.9	Very high	91.6	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.046	19%	0.192	C	C	.	.			trans	-76.2	140.5	-177.9	-172.6	-80.4	0	0	0	111.3	W152 Y183 L184 A275 M276 F537 P538	W152-H273 AromaticContact CD2-CE1 3.52Å; W152-H273 AromaticContact CD2-NE2 3.86Å; W152-H273 AromaticContact CE2-CE1 3.33Å; W152-H273 AromaticContact CE2-NE2 3.74Å; W152-H273 AromaticContact CE3-CE1 3.86Å; W152-H273 AromaticContact CE3-NE2 3.73Å; W152-H273 AromaticContact CH2-CE1 3.91Å; W152-H273 AromaticContact CH2-NE2 3.45Å; W152-H273 WeakPolarHBondContact CH2-NE2 3.37Å; W152-H273 AromaticContact CZ2-CE1 3.54Å; W152-H273 AromaticContact CZ2-NE2 3.54Å; W152-H273 AromaticContact CZ3-NE2 3.52Å; W152-H273 AromaticContact NE1-CE1 3.72Å; Y183-H273 AromaticContact CE2-CD2 3.77Å; Y183-H273 AromaticContact CE2-NE2 3.67Å; L184-H273 HydrophobicContact CD2-CB 4.29Å; H273-A275 VanDerWaalsContact ND1-CB 3.3Å; H273-A275 WeakPolarHBondContact ND1-CB 3.37Å; H273-A275 PolarHBondContact ND1-N 3.43Å; H273-A275 VanDerWaalsContact ND1-N 3.14Å; H273-A275 PolarHBondContact O-N 3.22Å; H273-M276 WeakPolarHBondContact O-CG 3.46Å; H273-M276 PolarHBondContact O-N 3.47Å; H273-M276 VanDerWaalsContact O-N 3.09Å; H273-F537 HydrophobicContact CB-CD1 3.52Å; H273-F537 HydrophobicContact CB-CE1 3.7Å; H273-F537 AromaticContact CG-CD1 3.75Å; H273-P538 WeakPolarHBondContact CE1-CD 3.39Å
274	P	95.2	Very high	93.1	Very high	17 Å²	17	25.6 Å²	25.6	11%	0.11	16%	0.157	C	C	.	.	H	α-helix	trans	-55.7	-31.2	-176.4	-28.7	35.1	0	0	0	114.7	W152 Y183 M276 S277	W152-P274 HydrophobicContact CB-CB 3.88Å; W152-P274 HydrophobicContact CB-CG 4.37Å; Y183-P274 HydrophobicContact CD2-CG 4.1Å; Y183-P274 WeakPolarHBondContact O-CG 3.3Å; P274-M276 PolarHBondContact O-N 3.2Å; P274-M276 VanDerWaalsContact O-N 3.17Å; P274-S277 WeakPolarHBondContact O-CB 3.41Å; P274-S277 PolarHBondContact O-N 3.5Å; P274-S277 VanDerWaalsContact O-N 3.13Å; P274-S277 PolarHBondContact O-OG 3.5Å
275	A	94.9	Very high	93.9	Very high	42 Å²	42	26 Å²	26	35%	0.347	15%	0.151	S	C	.	.	H	α-helix	trans	-61.3	-21	-179.9	0	0	0	0	0	114.9	H273 P538 A547	H273-A275 VanDerWaalsContact ND1-CB 3.3Å; H273-A275 WeakPolarHBondContact ND1-CB 3.37Å; H273-A275 PolarHBondContact ND1-N 3.43Å; H273-A275 VanDerWaalsContact ND1-N 3.14Å; H273-A275 PolarHBondContact O-N 3.22Å; A275-P538 HydrophobicContact CB-CB 4.47Å; A275-P538 HydrophobicContact CB-CG 3.96Å; A275-A547 HydrophobicContact CB-CB 4.03Å
276	M	95.3	Very high	94.2	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-112.1	1	176.8	59.7	-177.1	-80.8	0	0	113.1	L233 L248 L272 H273 P274 A280 F537	L233-M276 HydrophobicContact CB-CE 4.08Å; L233-M276 HydrophobicContact CD2-CE 3.89Å; L248-M276 HydrophobicContact CB-CE 4.36Å; L248-M276 HydrophobicContact CD1-CB 4.23Å; L248-M276 HydrophobicContact CD2-CE 4.16Å; L248-M276 HydrophobicContact CG-CB 4.04Å; L248-M276 HydrophobicContact CG-CE 3.94Å; L272-M276 HydrophobicContact CB-CE 4.36Å; L272-M276 HydrophobicContact CB-CG 4.45Å; L272-M276 HydrophobicContact CB-SD 4.41Å; L272-M276 HydrophobicContact CD1-CG 4.08Å; H273-M276 WeakPolarHBondContact O-CG 3.46Å; H273-M276 PolarHBondContact O-N 3.47Å; H273-M276 VanDerWaalsContact O-N 3.09Å; P274-M276 PolarHBondContact O-N 3.2Å; P274-M276 VanDerWaalsContact O-N 3.17Å; M276-A280 VanDerWaalsContact O-CB 3.25Å; M276-A280 WeakPolarHBondContact O-CB 3.45Å; M276-A280 PolarHBondContact O-N 2.61Å; M276-F537 HydrophobicContact CB-CE1 4.28Å; M276-F537 HydrophobicContact CB-CZ 4.15Å; M276-F537 HydrophobicContact CG-CE1 3.92Å; M276-F537 HydrophobicContact CG-CZ 4.18Å; M276-F537 HydrophobicContact SD-CD1 4.49Å; M276-F537 HydrophobicContact SD-CE1 3.68Å; M276-F537 HydrophobicContact SD-CZ 3.79Å
277	S	94	Very high	94.4	Very high	20 Å²	20	27.9 Å²	27.9	14%	0.14	17%	0.165	C	C	.	.	H	α-helix	trans	-67	-42.4	-166.9	61.1	0	0	0	0	115	N185 L272 P274 A280 W281	N185-S277 WeakPolarHBondContact ND2-CB 3.22Å; N185-S277 PolarHBondContact ND2-OG 3.33Å; L272-S277 VanDerWaalsContact CD1-CA 3.45Å; P274-S277 WeakPolarHBondContact O-CB 3.41Å; P274-S277 PolarHBondContact O-N 3.5Å; P274-S277 VanDerWaalsContact O-N 3.13Å; P274-S277 PolarHBondContact O-OG 3.5Å; S277-A280 PolarHBondContact O-N 2.96Å; S277-W281 WeakPolarHBondContact O-CB 3.33Å; S277-W281 PolarHBondContact O-N 3.13Å
278	A	93.8	Very high	94.6	Very high	68 Å²	68	26.7 Å²	26.7	56%	0.562	16%	0.16	S	C	*	.	H	α-helix	trans	-61.3	-52.3	177.9	0	0	0	0	0	111.3	A280 W281 D282	A278-A280 VanDerWaalsContact C-N 3.29Å; A278-A280 PolarHBondContact O-N 3.35Å; A278-W281 WeakPolarHBondContact O-CB 3.32Å; A278-W281 PolarHBondContact O-N 2.93Å; A278-D282 PolarHBondContact O-N 2.86Å; A278-D282 VanDerWaalsContact O-N 3.09Å
279	S	94.9	Very high	94.5	Very high	68 Å²	68	32.9 Å²	32.9	48%	0.476	19%	0.187	S	C	.	.	H	α-helix	trans	-62.7	-35.3	177.5	-54.6	0	0	0	0	112.9	L283	S279-L283 VanDerWaalsContact O-CB 3.24Å; S279-L283 WeakPolarHBondContact O-CB 3.27Å; S279-L283 PolarHBondContact O-N 3.26Å; S279-L283 VanDerWaalsContact O-N 3.1Å
280	A	96	Very high	94.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-68.4	-38.7	176.1	0	0	0	0	0	111.9	F187 L233 L248 L272 M276 S277 A278 L284	F187-A280 HydrophobicContact CE2-CB 4.18Å; L233-A280 HydrophobicContact CD2-CB 3.75Å; L248-A280 HydrophobicContact CD2-CB 3.79Å; L272-A280 HydrophobicContact CD1-CB 3.86Å; M276-A280 VanDerWaalsContact O-CB 3.25Å; M276-A280 WeakPolarHBondContact O-CB 3.45Å; M276-A280 PolarHBondContact O-N 2.61Å; S277-A280 PolarHBondContact O-N 2.96Å; A278-A280 VanDerWaalsContact C-N 3.29Å; A278-A280 PolarHBondContact O-N 3.35Å; A280-L284 WeakPolarHBondContact O-CB 3.23Å; A280-L284 WeakPolarHBondContact O-CD1 3.27Å; A280-L284 WeakPolarHBondContact O-CG 3.38Å; A280-L284 PolarHBondContact O-N 3Å
281	W	95.9	Very high	93.9	Very high	65 Å²	65	37.6 Å²	37.6	25%	0.246	21%	0.209	C	C	.	.	H	α-helix	trans	-61.6	-50.7	175.7	177	-87.9	0	0	0	111.3	F187 S277 A278 L283 L284 Q285 L303 D305	F187-W281 AromaticContact CD1-CE3 3.93Å; F187-W281 HydrophobicContact CD1-CE3 3.93Å; F187-W281 HydrophobicContact CD1-CZ3 4.21Å; F187-W281 HydrophobicContact CD2-CE3 4.42Å; F187-W281 AromaticContact CE1-CE3 3.89Å; F187-W281 HydrophobicContact CE1-CE3 3.89Å; F187-W281 HydrophobicContact CE1-CZ3 4.5Å; F187-W281 HydrophobicContact CE2-CB 4.12Å; F187-W281 HydrophobicContact CE2-CE3 4.36Å; F187-W281 HydrophobicContact CG-CE3 4.22Å; F187-W281 HydrophobicContact CZ-CB 4.04Å; F187-W281 HydrophobicContact CZ-CE3 4.1Å; S277-W281 WeakPolarHBondContact O-CB 3.33Å; S277-W281 PolarHBondContact O-N 3.13Å; A278-W281 WeakPolarHBondContact O-CB 3.32Å; A278-W281 PolarHBondContact O-N 2.93Å; W281-L283 VanDerWaalsContact C-N 3.3Å; W281-L283 PolarHBondContact O-N 3.07Å; W281-L284 PolarHBondContact O-N 3.01Å; W281-Q285 VanDerWaalsContact O-CB 3.29Å; W281-Q285 WeakPolarHBondContact O-CB 3.41Å; W281-Q285 PolarHBondContact O-N 2.79Å; W281-L303 HydrophobicContact CD2-CD2 4.15Å; W281-L303 HydrophobicContact CE3-CD2 3.94Å; W281-L303 HydrophobicContact CE3-CG 4.22Å; W281-L303 HydrophobicContact CH2-CD2 3.91Å; W281-L303 HydrophobicContact CH2-CG 3.75Å; W281-L303 HydrophobicContact CZ2-CD2 4.11Å; W281-L303 HydrophobicContact CZ2-CG 4.41Å; W281-L303 HydrophobicContact CZ3-CD1 4.22Å; W281-L303 HydrophobicContact CZ3-CD2 3.81Å; W281-L303 HydrophobicContact CZ3-CG 3.63Å; W281-D305 HydrophobicContact CE3-CB 4.38Å; W281-D305 HydrophobicContact CH2-CB 4.26Å; W281-D305 HydrophobicContact CZ3-CB 3.76Å
282	D	95.2	Very high	93.6	Very high	94 Å²	94	39.3 Å²	39.3	50%	0.503	22%	0.219	S	C	.	.	H	α-helix	trans	-59.1	-45.4	179.9	-64.2	-25.9	0	0	0	110.7	A278 Q285 T286	A278-D282 PolarHBondContact O-N 2.86Å; A278-D282 VanDerWaalsContact O-N 3.09Å; D282-Q285 PolarHBondContact O-N 2.89Å; D282-T286 WeakPolarHBondContact O-CG2 3.4Å; D282-T286 PolarHBondContact O-N 3.17Å; D282-T286 PolarHBondContact O-OG1 3.06Å
283	L	93.8	Very high	93.2	Very high	12 Å²	12	43.5 Å²	43.5	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-42.9	178.6	177.9	147	0	0	0	113.1	I203 L233 Y234 A235 S279 W281 T286 S287	I203-L283 HydrophobicContact CB-CD2 3.77Å; I203-L283 HydrophobicContact CD1-CD2 3.79Å; I203-L283 HydrophobicContact CG1-CD2 4.34Å; I203-L283 HydrophobicContact CG2-CD2 3.57Å; I203-L283 HydrophobicContact CG2-CG 4.31Å; L233-L283 HydrophobicContact CD1-CD2 4.3Å; Y234-L283 WeakPolarHBondContact O-CD1 3.42Å; A235-L283 WeakPolarHBondContact O-CD1 3.12Å; S279-L283 VanDerWaalsContact O-CB 3.24Å; S279-L283 WeakPolarHBondContact O-CB 3.27Å; S279-L283 PolarHBondContact O-N 3.26Å; S279-L283 VanDerWaalsContact O-N 3.1Å; W281-L283 VanDerWaalsContact C-N 3.3Å; W281-L283 PolarHBondContact O-N 3.07Å; L283-T286 WeakPolarHBondContact CA-OG1 3.3Å; L283-T286 PolarHBondContact O-OG1 2.94Å; L283-S287 WeakPolarHBondContact O-CB 3.13Å; L283-S287 PolarHBondContact O-N 3.05Å
284	L	94.3	Very high	92.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-42.2	175.6	-74.3	167.4	0	0	0	110.7	F187 I189 I203 L270 A280 W281 T286 S287 I288 L303	F187-L284 HydrophobicContact CD2-CD1 3.75Å; F187-L284 HydrophobicContact CE2-CD1 4.47Å; I189-L284 HydrophobicContact CD1-CD2 4.12Å; I203-L284 HydrophobicContact CD1-CD2 3.28Å; I203-L284 HydrophobicContact CD1-CG 4.32Å; L270-L284 HydrophobicContact CD2-CD1 4.34Å; L270-L284 HydrophobicContact CD2-CD2 4.43Å; A280-L284 WeakPolarHBondContact O-CB 3.23Å; A280-L284 WeakPolarHBondContact O-CD1 3.27Å; A280-L284 WeakPolarHBondContact O-CG 3.38Å; A280-L284 PolarHBondContact O-N 3Å; W281-L284 PolarHBondContact O-N 3.01Å; L284-T286 PolarHBondContact O-N 3.16Å; L284-S287 PolarHBondContact O-N 3.36Å; L284-I288 VanDerWaalsContact O-CB 3.28Å; L284-I288 WeakPolarHBondContact O-CB 3.43Å; L284-I288 WeakPolarHBondContact O-CG1 3.44Å; L284-I288 PolarHBondContact O-N 2.87Å; L284-L303 HydrophobicContact CB-CD1 4.46Å; L284-L303 HydrophobicContact CB-CD2 3.94Å; L284-L303 HydrophobicContact CD1-CD1 4.45Å
285	Q	94.4	Very high	91.8	Very high	73 Å²	73	50.2 Å²	50.2	34%	0.341	28%	0.283	S	S	.	.	H	α-helix	trans	-66.1	-38.7	180	-169.9	172.7	5.9	0	0	112	W281 D282 K289 L303	W281-Q285 VanDerWaalsContact O-CB 3.29Å; W281-Q285 WeakPolarHBondContact O-CB 3.41Å; W281-Q285 PolarHBondContact O-N 2.79Å; D282-Q285 PolarHBondContact O-N 2.89Å; Q285-K289 WeakPolarHBondContact O-CB 3.37Å; Q285-K289 VanDerWaalsContact O-CG 3.24Å; Q285-K289 WeakPolarHBondContact O-CG 3.27Å; Q285-K289 PolarHBondContact O-N 3.38Å; Q285-K289 VanDerWaalsContact O-N 3.12Å; Q285-L303 HydrophobicContact CB-CD2 4.22Å
286	T	92.8	Very high	90.4	Very high	65 Å²	65	56.4 Å²	56.4	40%	0.399	31%	0.31	S	S	.	.	H	α-helix	trans	-66.3	-47.2	173.6	51.3	0	0	0	0	111.3	D282 L283 L284 I288 K289 E290	D282-T286 WeakPolarHBondContact O-CG2 3.4Å; D282-T286 PolarHBondContact O-N 3.17Å; D282-T286 PolarHBondContact O-OG1 3.06Å; L283-T286 WeakPolarHBondContact CA-OG1 3.3Å; L283-T286 PolarHBondContact O-OG1 2.94Å; L284-T286 PolarHBondContact O-N 3.16Å; T286-I288 VanDerWaalsContact C-N 3.35Å; T286-I288 PolarHBondContact O-N 2.67Å; T286-K289 PolarHBondContact O-N 2.87Å; T286-E290 WeakPolarHBondContact O-CG 3.37Å; T286-E290 PolarHBondContact O-N 3.42Å
287	S	91.8	Very high	88.9	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-43.1	-179.5	-172.9	0	0	0	0	111.8	C199 N237 L283 L284 K289 E290 V291	C199-S287 PolarHBondContact SG-OG 3.36Å; N237-S287 WeakPolarHBondContact ND2-CA 3.05Å; N237-S287 VanDerWaalsContact OD1-CB 3.31Å; N237-S287 WeakPolarHBondContact OD1-CB 3.4Å; N237-S287 PolarHBondContact OD1-OG 3.36Å; L283-S287 WeakPolarHBondContact O-CB 3.13Å; L283-S287 PolarHBondContact O-N 3.05Å; L284-S287 PolarHBondContact O-N 3.36Å; S287-K289 PolarHBondContact O-N 2.88Å; S287-E290 PolarHBondContact O-N 3.33Å; S287-V291 WeakPolarHBondContact O-CB 3.46Å; S287-V291 VanDerWaalsContact O-CG2 3.32Å; S287-V291 WeakPolarHBondContact O-CG2 3.44Å; S287-V291 PolarHBondContact O-N 2.59Å
288	I	92.6	Very high	87.6	Confident	9 Å²	9	69.3 Å²	69.3	5%	0.046	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-42.4	176.6	-73.5	169.9	0	0	0	111.7	I189 L284 T286 V291 N292 L301 L303	I189-I288 HydrophobicContact CD1-CD1 4.21Å; I189-I288 HydrophobicContact CG1-CD1 4.39Å; L284-I288 VanDerWaalsContact O-CB 3.28Å; L284-I288 WeakPolarHBondContact O-CB 3.43Å; L284-I288 WeakPolarHBondContact O-CG1 3.44Å; L284-I288 PolarHBondContact O-N 2.87Å; T286-I288 VanDerWaalsContact C-N 3.35Å; T286-I288 PolarHBondContact O-N 2.67Å; I288-V291 PolarHBondContact O-N 2.88Å; I288-N292 WeakPolarHBondContact CG2-ND2 3.39Å; I288-N292 WeakPolarHBondContact O-CB 3.38Å; I288-N292 PolarHBondContact O-N 2.91Å; I288-N292 PolarHBondContact O-ND2 3.48Å; I288-L301 HydrophobicContact CG1-CB 4.39Å; I288-L301 HydrophobicContact CG1-CD1 4.18Å; I288-L301 HydrophobicContact CG2-CB 3.89Å; I288-L303 HydrophobicContact CD1-CB 3.71Å; I288-L303 HydrophobicContact CD1-CD1 4.26Å; I288-L303 HydrophobicContact CD1-CD2 4.22Å; I288-L303 HydrophobicContact CD1-CG 4.27Å
289	K	91.2	Very high	86.6	Confident	132 Å²	132	68.3 Å²	68.3	57%	0.574	36%	0.362	S	S	*	.	H	α-helix	trans	-62.2	-44.4	176.3	-76.5	172.6	-178.5	176.7	0	111.9	Q285 T286 S287 S293	Q285-K289 WeakPolarHBondContact O-CB 3.37Å; Q285-K289 VanDerWaalsContact O-CG 3.24Å; Q285-K289 WeakPolarHBondContact O-CG 3.27Å; Q285-K289 PolarHBondContact O-N 3.38Å; Q285-K289 VanDerWaalsContact O-N 3.12Å; T286-K289 PolarHBondContact O-N 2.87Å; S287-K289 PolarHBondContact O-N 2.88Å; K289-S293 WeakPolarHBondContact O-CB 3.48Å; K289-S293 PolarHBondContact O-N 2.85Å; K289-S293 PolarHBondContact O-OG 2.86Å
290	E	89.3	Confident	86.1	Confident	99 Å²	99	67.6 Å²	67.6	46%	0.463	36%	0.361	S	S	.	.	H	α-helix	trans	-62	-50.1	177.7	-73	173.4	-154.1	0	0	111.2	N237 T286 S287 N292 S293 L294	N237-E290 VanDerWaalsContact ND2-CD 3.31Å; N237-E290 PolarHBondContact ND2-OE2 3.01Å; T286-E290 WeakPolarHBondContact O-CG 3.37Å; T286-E290 PolarHBondContact O-N 3.42Å; S287-E290 PolarHBondContact O-N 3.33Å; E290-N292 PolarHBondContact O-N 3.23Å; E290-S293 PolarHBondContact O-N 3.4Å; E290-S293 PolarHBondContact O-OG 3Å; E290-L294 WeakPolarHBondContact O-CG 3.42Å; E290-L294 PolarHBondContact O-N 2.91Å
291	V	88.1	Confident	85.8	Confident	4 Å²	4	68 Å²	68	2%	0.024	36%	0.363	C	S	.	.	H	α-helix	trans	-66.8	-38.4	-179	176.7	0	0	0	0	111.9	I195 C199 S287 I288 S293 L294 N295	I195-V291 HydrophobicContact CG2-CG1 3.33Å; C199-V291 HydrophobicContact CB-CG2 4.15Å; S287-V291 WeakPolarHBondContact O-CB 3.46Å; S287-V291 VanDerWaalsContact O-CG2 3.32Å; S287-V291 WeakPolarHBondContact O-CG2 3.44Å; S287-V291 PolarHBondContact O-N 2.59Å; I288-V291 PolarHBondContact O-N 2.88Å; V291-S293 VanDerWaalsContact C-N 3.32Å; V291-S293 PolarHBondContact O-N 2.9Å; V291-L294 PolarHBondContact O-N 3.38Å; V291-N295 PolarHBondContact O-ND2 3.48Å; V291-N295 VanDerWaalsContact O-ND2 3.14Å
292	N	89.2	Confident	85.6	Confident	43 Å²	43	69 Å²	69	23%	0.23	37%	0.37	C	S	.	.	H	α-helix	trans	-65.4	-35.1	174.4	-73.4	-16.8	0	0	0	111.5	I288 E290 L294 N295 L301	I288-N292 WeakPolarHBondContact CG2-ND2 3.39Å; I288-N292 WeakPolarHBondContact O-CB 3.38Å; I288-N292 PolarHBondContact O-N 2.91Å; I288-N292 PolarHBondContact O-ND2 3.48Å; E290-N292 PolarHBondContact O-N 3.23Å; N292-L294 VanDerWaalsContact C-N 3.3Å; N292-L294 PolarHBondContact O-N 2.94Å; N292-N295 PolarHBondContact O-N 2.97Å; N292-N295 VanDerWaalsContact O-O 3.1Å; N292-L301 PolarHBondContact ND2-O 2.89Å; N292-L301 PolarHBondContact OD1-N 2.9Å
293	S	87.2	Confident	85.5	Confident	90 Å²	90	65.9 Å²	65.9	63%	0.629	35%	0.353	S	S	*	.	H	α-helix	trans	-69.4	-25.4	177.5	72.9	0	0	0	0	114.1	K289 E290 V291	K289-S293 WeakPolarHBondContact O-CB 3.48Å; K289-S293 PolarHBondContact O-N 2.85Å; K289-S293 PolarHBondContact O-OG 2.86Å; E290-S293 PolarHBondContact O-N 3.4Å; E290-S293 PolarHBondContact O-OG 3Å; V291-S293 VanDerWaalsContact C-N 3.32Å; V291-S293 PolarHBondContact O-N 2.9Å
294	L	84.4	Confident	85.4	Confident	120 Å²	120	67.8 Å²	67.8	63%	0.628	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-11.7	179.2	-69.9	170.4	0	0	0	113.3	E290 V291 N292	E290-L294 WeakPolarHBondContact O-CG 3.42Å; E290-L294 PolarHBondContact O-N 2.91Å; V291-L294 PolarHBondContact O-N 3.38Å; N292-L294 VanDerWaalsContact C-N 3.3Å; N292-L294 PolarHBondContact O-N 2.94Å
295	N	79.4	Confident	85.1	Confident	48 Å²	48	71.7 Å²	71.7	26%	0.257	39%	0.385	S	S	.	.			trans	-118.2	111.5	-178.3	-64.7	-45.1	0	0	0	109.6	I195 V291 N292 T297	I195-N295 HydrophobicContact CD1-CB 4.32Å; V291-N295 PolarHBondContact O-ND2 3.48Å; V291-N295 VanDerWaalsContact O-ND2 3.14Å; N292-N295 PolarHBondContact O-N 2.97Å; N292-N295 VanDerWaalsContact O-O 3.1Å; N295-T297 PolarHBondContact O-N 3.17Å
296	D	65	Low	84.8	Confident	173 Å²	173	68.4 Å²	68.4	93%	0.925	37%	0.369	S	S	*	.			trans	-69.6	0.9	177.3	-75.3	-33.2	0	0	0	114.3
297	T	64.2	Low	84.5	Confident	85 Å²	85	66.9 Å²	66.9	52%	0.521	36%	0.36	S	S	.	.	S	Bend	trans	-69.3	141.5	-176.8	52.9	0	0	0	0	111.3	N295 C299	N295-T297 PolarHBondContact O-N 3.17Å; T297-C299 PolarHBondContact O-N 3.38Å
298	Q	66.4	Low	83.9	Confident	207 Å²	207	67.3 Å²	67.3	97%	0.967	37%	0.365	S	S	*	.	S	Bend	trans	-58.2	3.5	172.3	-68.3	-178.5	-12.1	0	0	114.8
299	C	72.2	Confident	83.3	Confident	47 Å²	47	70.5 Å²	70.5	32%	0.318	38%	0.377	S	S	.	.			trans	-113	101	-175.7	-57.5	0	0	0	0	109.9	P192 I195 F265 T297	P192-C299 HydrophobicContact CG-CB 3.47Å; P192-C299 VanDerWaalsContact CG-CB 3.47Å; I195-C299 WeakPolarHBondContact CD1-O 3.27Å; F265-C299 HydrophobicContact CE2-CB 4.26Å; F265-C299 HydrophobicContact CZ-CB 3.66Å; T297-C299 PolarHBondContact O-N 3.38Å
300	A	84.8	Confident	83.1	Confident	54 Å²	54	64.4 Å²	64.4	45%	0.446	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-101.4	154.5	177.9	0	0	0	0	0	111.7
301	L	90.5	Very high	83	Confident	8 Å²	8	59.8 Å²	59.8	4%	0.042	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-74.3	132.6	168.1	-63	178.2	0	0	0	110.6	I189 Y190 I195 L196 C199 I288 N292	I189-L301 HydrophobicContact CG2-CD2 4.43Å; Y190-L301 WeakPolarHBondContact O-CA 3.33Å; I195-L301 HydrophobicContact CB-CD2 4.29Å; I195-L301 HydrophobicContact CB-CG 4.33Å; I195-L301 HydrophobicContact CG2-CD1 3.75Å; I195-L301 HydrophobicContact CG2-CD2 4.19Å; I195-L301 HydrophobicContact CG2-CG 3.69Å; L196-L301 HydrophobicContact CB-CD2 3.92Å; C199-L301 HydrophobicContact CB-CD1 3.94Å; I288-L301 HydrophobicContact CG1-CB 4.39Å; I288-L301 HydrophobicContact CG1-CD1 4.18Å; I288-L301 HydrophobicContact CG2-CB 3.89Å; N292-L301 PolarHBondContact ND2-O 2.89Å; N292-L301 PolarHBondContact OD1-N 2.9Å
302	E	90.2	Very high	83.3	Confident	85 Å²	85	59.6 Å²	59.6	40%	0.397	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.4	172.5	-61.4	-175.8	166.3	0	0	110.3	I189 Y190 K445	I189-E302 VanDerWaalsContact CA-O 3.28Å; I189-E302 WeakPolarHBondContact CA-O 3.48Å; Y190-E302 PolarHBondContact N-O 3.45Å; Y190-E302 PolarHBondContact O-N 2.86Å; E302-K445 IonicContact OE2-NZ 2.57Å; E302-K445 PolarHBondContact OE2-NZ 2.78Å
303	L	93.8	Very high	83.7	Confident	29 Å²	29	57.5 Å²	57.5	15%	0.152	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.8	175.7	178.4	68.8	0	0	0	109.9	F187 Q188 I189 W281 L284 Q285 I288	F187-L303 HydrophobicContact CB-CD1 4.2Å; Q188-L303 WeakPolarHBondContact O-CA 3.37Å; I189-L303 HydrophobicContact CD1-CD1 4.24Å; I189-L303 HydrophobicContact CG1-CD1 3.65Å; W281-L303 HydrophobicContact CD2-CD2 4.15Å; W281-L303 HydrophobicContact CE3-CD2 3.94Å; W281-L303 HydrophobicContact CE3-CG 4.22Å; W281-L303 HydrophobicContact CH2-CD2 3.91Å; W281-L303 HydrophobicContact CH2-CG 3.75Å; W281-L303 HydrophobicContact CZ2-CD2 4.11Å; W281-L303 HydrophobicContact CZ2-CG 4.41Å; W281-L303 HydrophobicContact CZ3-CD1 4.22Å; W281-L303 HydrophobicContact CZ3-CD2 3.81Å; W281-L303 HydrophobicContact CZ3-CG 3.63Å; L284-L303 HydrophobicContact CB-CD1 4.46Å; L284-L303 HydrophobicContact CB-CD2 3.94Å; L284-L303 HydrophobicContact CD1-CD1 4.45Å; Q285-L303 HydrophobicContact CB-CD2 4.22Å; I288-L303 HydrophobicContact CD1-CB 3.71Å; I288-L303 HydrophobicContact CD1-CD1 4.26Å; I288-L303 HydrophobicContact CD1-CD2 4.22Å; I288-L303 HydrophobicContact CD1-CG 4.27Å
304	D	90.8	Very high	84.2	Confident	52 Å²	52	53.3 Å²	53.3	28%	0.278	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.4	179.7	-74	-35.9	0	0	0	111.1	Q188 V306 K445	Q188-D304 HydrophobicContact CB-CB 4.39Å; Q188-D304 PolarHBondContact N-O 3.48Å; Q188-D304 PolarHBondContact O-N 3.17Å; D304-V306 HydrophobicContact CB-CG1 4.36Å; D304-K445 WeakPolarHBondContact OD2-CE 3.05Å; D304-K445 IonicContact OD2-NZ 3.75Å
305	D	89.5	Confident	84.8	Confident	82 Å²	82	47.6 Å²	47.6	44%	0.439	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	107.4	169.2	-176.2	10.5	0	0	0	110.5	F187 W281 T307	F187-D305 HydrophobicContact CD1-CB 4.27Å; F187-D305 HydrophobicContact CE1-CB 4.4Å; W281-D305 HydrophobicContact CE3-CB 4.38Å; W281-D305 HydrophobicContact CH2-CB 4.26Å; W281-D305 HydrophobicContact CZ3-CB 3.76Å; D305-T307 WeakPolarHBondContact OD1-CB 3.13Å; D305-T307 PolarHBondContact OD1-N 2.89Å; D305-T307 PolarHBondContact OD1-OG1 3.46Å
306	V	86.9	Confident	85.6	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.024	25%	0.245	C	C	.	.			trans	-106.2	23.2	178.4	-58.4	0	0	0	0	111.4	C186 Q188 D304 G308 Y309 F310 T444	C186-V306 HydrophobicContact CB-CG2 3.81Å; C186-V306 CarbonylContact O-C 3.57Å; C186-V306 WeakPolarHBondContact O-CG2 3.29Å; C186-V306 PolarHBondContact O-N 2.98Å; C186-V306 VanDerWaalsContact SG-CG2 3.59Å; Q188-V306 HydrophobicContact CB-CG1 4.06Å; Q188-V306 HydrophobicContact CB-CG2 3.95Å; D304-V306 HydrophobicContact CB-CG1 4.36Å; V306-G308 PolarHBondContact O-N 2.76Å; V306-Y309 HydrophobicContact CB-CD2 4.22Å; V306-Y309 WeakPolarHBondContact O-CB 3.35Å; V306-Y309 WeakPolarHBondContact O-CD2 3.04Å; V306-Y309 PolarHBondContact O-N 2.97Å; V306-Y309 VanDerWaalsContact O-N 3.12Å; V306-F310 HydrophobicContact CB-CE2 4.2Å; V306-F310 HydrophobicContact CG2-CD2 4.5Å; V306-F310 HydrophobicContact CG2-CE2 3.87Å; V306-T444 HydrophobicContact CB-CG2 4.15Å; V306-T444 HydrophobicContact CG1-CG2 3.58Å
307	T	86.8	Confident	86.8	Confident	34 Å²	34	37 Å²	37	21%	0.209	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	129.6	176.5	-65.2	0	0	0	0	111.5	N185 C186 D305 Y309	N185-T307 WeakPolarHBondContact CA-OG1 3.41Å; N185-T307 HydrophobicContact CB-CG2 4.18Å; N185-T307 WeakPolarHBondContact CB-OG1 3.42Å; C186-T307 PolarHBondContact N-OG1 2.84Å; C186-T307 PolarHBondContact O-N 3.26Å; D305-T307 WeakPolarHBondContact OD1-CB 3.13Å; D305-T307 PolarHBondContact OD1-N 2.89Å; D305-T307 PolarHBondContact OD1-OG1 3.46Å; T307-Y309 VanDerWaalsContact C-N 3.27Å; T307-Y309 PolarHBondContact O-N 2.84Å
308	G	79.3	Confident	88	Confident	9 Å²	9	37.4 Å²	37.4	9%	0.093	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-8.8	179.6	0	0	0	0	0	115.3	V306 F310 R483 F485	V306-G308 PolarHBondContact O-N 2.76Å; G308-F310 VanDerWaalsContact C-N 3.31Å; G308-R483 WeakPolarHBondContact O-CD 3.48Å; G308-R483 PolarHBondContact O-NE 3.49Å; G308-F485 VanDerWaalsContact O-CZ 3.31Å; G308-F485 WeakPolarHBondContact O-CZ 3.17Å
309	Y	80.7	Confident	89.1	Confident	76 Å²	76	28.3 Å²	28.3	30%	0.298	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-29.5	174.6	-76.8	-104.3	0	0	0	112.7	K123 V306 T307 T444 R483 F485	K123-Y309 PolarHBondContact NZ-OH 2.88Å; V306-Y309 HydrophobicContact CB-CD2 4.22Å; V306-Y309 WeakPolarHBondContact O-CB 3.35Å; V306-Y309 WeakPolarHBondContact O-CD2 3.04Å; V306-Y309 PolarHBondContact O-N 2.97Å; V306-Y309 VanDerWaalsContact O-N 3.12Å; T307-Y309 VanDerWaalsContact C-N 3.27Å; T307-Y309 PolarHBondContact O-N 2.84Å; Y309-T444 HydrophobicContact CD1-CG2 4.21Å; Y309-T444 HydrophobicContact CG-CG2 4.48Å; Y309-R483 VanDerWaalsContact O-CB 3.29Å; Y309-R483 WeakPolarHBondContact O-CB 3.32Å; Y309-R483 WeakPolarHBondContact O-CG 3.49Å; Y309-R483 PolarHBondContact O-N 3.34Å; Y309-F485 HydrophobicContact CD1-CD2 4.35Å; Y309-F485 AromaticContact CD1-CE2 3.59Å; Y309-F485 HydrophobicContact CD1-CE2 3.59Å; Y309-F485 HydrophobicContact CD1-CZ 4.43Å; Y309-F485 HydrophobicContact CD2-CE2 4.47Å; Y309-F485 HydrophobicContact CE1-CD2 4.48Å; Y309-F485 AromaticContact CE1-CE2 3.99Å; Y309-F485 HydrophobicContact CE1-CE2 3.99Å; Y309-F485 AromaticContact CG-CE2 3.86Å; Y309-F485 HydrophobicContact CG-CE2 3.86Å; Y309-F485 HydrophobicContact CG-CZ 4.3Å
310	F	86.5	Confident	90.1	Very high	4 Å²	4	26 Å²	26	2%	0.018	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	154.1	177.1	-46.4	-71	0	0	0	111.3	W271 V306 G308 L442 T444 I480 L481 R483	W271-F310 HydrophobicContact CH2-CB 3.89Å; W271-F310 HydrophobicContact CH2-CD2 4.13Å; W271-F310 HydrophobicContact CZ2-CB 3.91Å; W271-F310 AromaticContact CZ2-CD2 3.9Å; W271-F310 HydrophobicContact CZ2-CD2 3.9Å; W271-F310 HydrophobicContact CZ2-CG 4.3Å; V306-F310 HydrophobicContact CB-CE2 4.2Å; V306-F310 HydrophobicContact CG2-CD2 4.5Å; V306-F310 HydrophobicContact CG2-CE2 3.87Å; G308-F310 VanDerWaalsContact C-N 3.31Å; F310-L442 HydrophobicContact CD1-CD2 3.63Å; F310-L442 HydrophobicContact CE1-CB 4.13Å; F310-L442 HydrophobicContact CE1-CD2 3.58Å; F310-L442 HydrophobicContact CE1-CG 4.46Å; F310-L442 HydrophobicContact CG-CD2 4.28Å; F310-L442 HydrophobicContact CZ-CB 4.08Å; F310-L442 HydrophobicContact CZ-CD2 4.18Å; F310-L442 WeakPolarHBondContact CZ-O 3.38Å; F310-T444 HydrophobicContact CZ-CG2 4.24Å; F310-I480 HydrophobicContact CB-CG2 4.08Å; F310-L481 CarbonylContact C-O 3.51Å; F310-L481 WeakPolarHBondContact CA-O 3.38Å; F310-R483 PolarHBondContact O-NE 2.86Å; F310-R483 PolarHBondContact O-NH2 3.25Å
311	C	88.3	Confident	90.5	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.8	163.1	70.1	0	0	0	0	109.3	P137 S182 I480 L481 R483 A500	P137-C311 HydrophobicContact CB-CB 4.31Å; P137-C311 HydrophobicContact CG-CB 3.68Å; S182-C311 WeakPolarHBondContact OG-CA 3.36Å; S182-C311 VanDerWaalsContact OG-CB 3.29Å; S182-C311 WeakPolarHBondContact OG-CB 3.33Å; C311-I480 CarbonylContact O-C 2.96Å; C311-I480 VanDerWaalsContact O-CA 3.29Å; C311-I480 WeakPolarHBondContact O-CA 3.44Å; C311-L481 PolarHBondContact N-O 2.78Å; C311-L481 PolarHBondContact O-N 3.29Å; C311-L481 WeakPolarHBondContact SG-CB 3.35Å; C311-L481 PolarHBondContact SG-O 2.96Å; C311-R483 HydrophobicContact CB-CG 4.21Å; C311-A500 HydrophobicContact CB-CB 4.21Å; C311-A500 VanDerWaalsContact SG-CB 3.59Å
312	R	94	Very high	90.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	111	-178.5	-172.8	166	178.3	156.6	4.1	108.3	F181 S182 E228 D478 V479 I480	F181-R312 CarbonylContact C-O 3.58Å; F181-R312 WeakPolarHBondContact CA-O 3.13Å; F181-R312 HydrophobicContact CB-CB 4.47Å; F181-R312 PolarHBondContact N-O 2.71Å; S182-R312 PolarHBondContact N-O 3.22Å; S182-R312 PolarHBondContact OG-N 2.96Å; S182-R312 PolarHBondContact OG-O 3.33Å; E228-R312 IonicContact OE1-CZ 2.67Å; E228-R312 IonicContact OE1-NH1 3.56Å; E228-R312 PolarHBondContact OE1-NH1 3.16Å; E228-R312 IonicContact OE1-NH2 2.86Å; E228-R312 PolarHBondContact OE1-NH2 2.87Å; E228-R312 IonicContact OE2-CZ 3.62Å; E228-R312 IonicContact OE2-NH2 3.48Å; E228-R312 PolarHBondContact OE2-NH2 2.68Å; R312-D478 HydrophobicContact CG-CB 4.39Å; R312-D478 IonicContact CZ-OD2 3.85Å; R312-D478 VanDerWaalsContact CZ-OD2 3.23Å; R312-D478 IonicContact NE-OD2 3.12Å; R312-D478 PolarHBondContact NE-OD2 2.71Å; R312-D478 IonicContact NH2-OD2 3.99Å; R312-D478 PolarHBondContact NH2-OD2 2.84Å; R312-V479 WeakPolarHBondContact CA-O 3.31Å; R312-I480 HydrophobicContact CB-CG1 4.48Å; R312-I480 HydrophobicContact CG-CG1 4.04Å
313	L	96.8	Very high	90.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.2	178.4	-61.7	179.6	0	0	0	108.7	T138 L178 F179 D180 D478 V479 A500 F503	T138-L313 HydrophobicContact CG2-CD2 4.1Å; L178-L313 HydrophobicContact CD1-CB 4.34Å; F179-L313 WeakPolarHBondContact O-CA 3.18Å; D180-L313 HydrophobicContact CB-CD2 3.78Å; L313-D478 CarbonylContact O-C 3.41Å; L313-D478 WeakPolarHBondContact O-CA 3.3Å; L313-V479 HydrophobicContact CB-CB 4.5Å; L313-V479 PolarHBondContact N-O 3.27Å; L313-V479 PolarHBondContact O-N 2.89Å; L313-A500 HydrophobicContact CD1-CB 4.2Å; L313-A500 WeakPolarHBondContact CD1-O 3.32Å; L313-F503 HydrophobicContact CD1-CB 4.42Å; L313-F503 HydrophobicContact CD1-CD1 3.56Å; L313-F503 HydrophobicContact CD1-CE1 4.31Å; L313-F503 HydrophobicContact CD1-CG 4.39Å
314	R	97.5	Very high	90.5	Very high	1 Å²	1	18 Å²	18	0%	0.004	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124	-178	172.8	156.4	-59.6	153.7	6.9	110.3	L178 F179 F181 R252 I316 N462 D478 D535	L178-R314 CarbonylContact C-O 3.57Å; L178-R314 VanDerWaalsContact CA-O 3.31Å; L178-R314 WeakPolarHBondContact CA-O 3.47Å; F179-R314 HydrophobicContact CB-CB 4.48Å; F179-R314 PolarHBondContact N-O 3.33Å; F179-R314 PolarHBondContact O-N 3.3Å; F181-R314 HydrophobicContact CD2-CB 3.45Å; F181-R314 VanDerWaalsContact CD2-CB 3.45Å; F181-R314 HydrophobicContact CD2-CG 4.35Å; F181-R314 HydrophobicContact CE2-CB 3.58Å; F181-R314 HydrophobicContact CE2-CG 3.99Å; R252-R314 VanDerWaalsContact CZ-NH2 3.28Å; R314-I316 HydrophobicContact CG-CG2 3.81Å; R314-N462 WeakPolarHBondContact CG-ND2 3.12Å; R314-D478 VanDerWaalsContact CA-OD1 3.3Å; R314-D478 WeakPolarHBondContact CA-OD1 3.45Å; R314-D478 WeakPolarHBondContact CB-OD1 3.23Å; R314-D478 WeakPolarHBondContact CD-OD1 3.45Å; R314-D478 WeakPolarHBondContact CG-OD1 3.12Å; R314-D478 IonicContact CZ-OD1 2.67Å; R314-D478 IonicContact CZ-OD2 3.97Å; R314-D478 IonicContact NE-OD1 2.84Å; R314-D478 PolarHBondContact NE-OD1 3.41Å; R314-D478 IonicContact NE-OD2 3.72Å; R314-D478 PolarHBondContact NE-OD2 3.5Å; R314-D478 VanDerWaalsContact NE-OD2 3.16Å; R314-D478 IonicContact NH2-OD1 3.19Å; R314-D478 IonicContact NH2-OD2 2.93Å; R314-D478 PolarHBondContact NH2-OD2 3.16Å; R314-D535 IonicContact CZ-OD1 2.66Å; R314-D535 IonicContact CZ-OD2 3.77Å; R314-D535 IonicContact NH1-OD1 3.73Å; R314-D535 PolarHBondContact NH1-OD1 3.26Å; R314-D535 IonicContact NH1-OD2 2.67Å; R314-D535 PolarHBondContact NH1-OD2 2.93Å
315	L	97.9	Very high	90.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130	169.1	-62.8	82.9	0	0	0	108.6	L178 L323 I324 N462 G476 W477 V479 F503	L178-L315 HydrophobicContact CD1-CD1 3.72Å; L178-L315 HydrophobicContact CD1-CD2 4.34Å; L178-L315 HydrophobicContact CD1-CG 3.56Å; L315-L323 HydrophobicContact CD2-CD2 3.65Å; L315-I324 HydrophobicContact CD1-CD1 4.15Å; L315-I324 HydrophobicContact CD2-CD1 4.02Å; L315-I324 HydrophobicContact CD2-CG1 3.89Å; L315-I324 HydrophobicContact CG-CD1 4.5Å; L315-N462 PolarHBondContact O-ND2 2.78Å; L315-G476 CarbonylContact O-C 3.55Å; L315-G476 VanDerWaalsContact O-CA 3.24Å; L315-G476 WeakPolarHBondContact O-CA 3.49Å; L315-W477 WeakPolarHBondContact CA-O 3.44Å; L315-W477 WeakPolarHBondContact CB-O 3.33Å; L315-W477 PolarHBondContact N-O 2.96Å; L315-W477 PolarHBondContact O-N 2.93Å; L315-V479 HydrophobicContact CD1-CG2 3.73Å; L315-F503 HydrophobicContact CD1-CE1 3.9Å; L315-F503 HydrophobicContact CD1-CZ 4.13Å; L315-F503 HydrophobicContact CD2-CZ 4.44Å
316	I	95.6	Very high	90.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.8	176.1	59.3	159.9	0	0	0	110.1	C176 L177 F179 R314 T474 W523	C176-I316 CarbonylContact C-O 3.34Å; C176-I316 VanDerWaalsContact CA-O 3.28Å; C176-I316 WeakPolarHBondContact CA-O 3.04Å; L177-I316 HydrophobicContact CB-CD1 4.13Å; L177-I316 HydrophobicContact CB-CG1 3.77Å; L177-I316 HydrophobicContact CD2-CD1 4.14Å; L177-I316 HydrophobicContact CG-CD1 4.43Å; L177-I316 HydrophobicContact CG-CG1 4.41Å; L177-I316 PolarHBondContact N-O 3.35Å; L177-I316 VanDerWaalsContact O-CG1 3.25Å; L177-I316 WeakPolarHBondContact O-CG1 3.13Å; L177-I316 PolarHBondContact O-N 3.25Å; F179-I316 HydrophobicContact CD2-CD1 4.46Å; F179-I316 HydrophobicContact CE2-CD1 3.73Å; F179-I316 HydrophobicContact CE2-CG1 4.16Å; R314-I316 HydrophobicContact CG-CG2 3.81Å; I316-T474 WeakPolarHBondContact CA-O 3.44Å; I316-T474 WeakPolarHBondContact CB-O 3.47Å; I316-W523 HydrophobicContact CB-CZ2 4.42Å; I316-W523 HydrophobicContact CD1-CD2 3.55Å; I316-W523 HydrophobicContact CD1-CE3 4.26Å; I316-W523 HydrophobicContact CD1-CG 3.74Å; I316-W523 HydrophobicContact CD1-CZ2 3.87Å; I316-W523 HydrophobicContact CG2-CH2 4.14Å; I316-W523 HydrophobicContact CG2-CZ2 3.93Å
317	G	90.9	Very high	90.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	98.5	159.2	179.8	0	0	0	0	0	114.4	S172 G175 Q319 S320 E473 T474	S172-G317 WeakPolarHBondContact O-CA 3.21Å; G175-G317 CarbonylContact O-C 3.27Å; G175-G317 VanDerWaalsContact O-C 3.24Å; G175-G317 WeakPolarHBondContact O-CA 3.39Å; G317-Q319 PolarHBondContact O-N 2.87Å; G317-Q319 VanDerWaalsContact O-N 3.1Å; G317-S320 WeakPolarHBondContact O-CB 3.24Å; G317-S320 PolarHBondContact O-N 3.29Å; G317-S320 PolarHBondContact O-OG 2.97Å; G317-E473 CarbonylContact C-O 3.5Å; G317-E473 WeakPolarHBondContact CA-O 3.32Å; G317-T474 PolarHBondContact N-O 2.84Å
318	R	88.2	Confident	91	Very high	93 Å²	93	14 Å²	14	35%	0.351	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-35.4	-175.2	-64.7	-176.9	-176.2	-171.2	0.9	115.2	H173 G175 S320 E352 E473	H173-R318 WeakPolarHBondContact O-CG 3.34Å; G175-R318 PolarHBondContact O-N 3.11Å; R318-S320 VanDerWaalsContact C-N 3.28Å; R318-S320 PolarHBondContact O-N 2.94Å; R318-E352 WeakPolarHBondContact CD-OE1 3.41Å; R318-E352 WeakPolarHBondContact CG-OE1 3.39Å; R318-E473 HydrophobicContact CG-CB 4.06Å; R318-E473 WeakPolarHBondContact CG-O 3.19Å; R318-E473 PolarHBondContact N-O 3.43Å; R318-E473 VanDerWaalsContact N-O 3.11Å; R318-E473 VanDerWaalsContact NE-CB 3.33Å
319	Q	90	Very high	91.5	Very high	15 Å²	15	17 Å²	17	7%	0.07	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	0.9	-177.9	-62.9	-177.3	-12.6	0	0	113.6	G175 C176 G317 H321 L323 W384	G175-Q319 WeakPolarHBondContact O-CB 3.23Å; G175-Q319 PolarHBondContact O-N 2.9Å; C176-Q319 HydrophobicContact CB-CB 4.19Å; G317-Q319 PolarHBondContact O-N 2.87Å; G317-Q319 VanDerWaalsContact O-N 3.1Å; Q319-H321 PolarHBondContact O-N 3.45Å; Q319-L323 WeakPolarHBondContact O-CB 3.46Å; Q319-L323 PolarHBondContact O-N 2.78Å; Q319-L323 VanDerWaalsContact O-N 3.12Å; Q319-W384 HydrophobicContact CB-CE3 3.99Å; Q319-W384 HydrophobicContact CG-CB 4.47Å; Q319-W384 HydrophobicContact CG-CE3 4.25Å
320	S	93.4	Very high	91.9	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.3	-44.1	-179.2	58.9	0	0	0	0	112.5	G317 R318 L323 I324 G476	G317-S320 WeakPolarHBondContact O-CB 3.24Å; G317-S320 PolarHBondContact O-N 3.29Å; G317-S320 PolarHBondContact O-OG 2.97Å; R318-S320 VanDerWaalsContact C-N 3.28Å; R318-S320 PolarHBondContact O-N 2.94Å; S320-L323 PolarHBondContact O-N 2.86Å; S320-I324 WeakPolarHBondContact O-CG1 3.28Å; S320-I324 PolarHBondContact O-N 2.84Å; S320-I324 VanDerWaalsContact O-N 3.09Å; S320-G476 WeakPolarHBondContact OG-CA 3.19Å
321	H	92.2	Very high	91.8	Very high	3 Å²	3	19.4 Å²	19.4	1%	0.014	9%	0.092	C	C	.	.	H	α-helix	trans	-66.6	-53.1	-177.4	-177.6	70.9	0	0	0	112.1	Q319 L323 I324 S325 W343 R351 W477	Q319-H321 PolarHBondContact O-N 3.45Å; H321-L323 PolarHBondContact O-N 3.24Å; H321-I324 PolarHBondContact O-N 3.36Å; H321-S325 PolarHBondContact O-N 3.39Å; H321-S325 PolarHBondContact O-OG 2.87Å; H321-W343 AromaticContact CE1-CH2 3.99Å; H321-W343 AromaticContact CE1-CZ3 3.98Å; H321-R351 PolarHBondContact CD2-O 2.82Å; H321-W477 AromaticContact CG-NE1 3.8Å; H321-W477 AromaticContact ND1-CE2 3.71Å; H321-W477 AromaticContact ND1-CZ2 3.75Å; H321-W477 AromaticContact ND1-NE1 3.2Å; H321-W477 PolarHBondContact ND1-NE1 2.73Å
322	G	90.2	Very high	91.3	Very high	5 Å²	5	25.9 Å²	25.9	5%	0.052	13%	0.127	C	C	.	.	H	α-helix	trans	-60	-30	176.6	0	0	0	0	0	113.7	S325 D326 W384	G322-S325 WeakPolarHBondContact CA-OG 3.4Å; G322-S325 PolarHBondContact O-OG 3.19Å; G322-D326 WeakPolarHBondContact O-CB 3.25Å; G322-D326 VanDerWaalsContact O-CG 3.3Å; G322-D326 PolarHBondContact O-N 2.87Å; G322-W384 PolarHBondContact O-NE1 3.11Å
323	L	91.3	Very high	90.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-71.2	-38.4	174.9	-175.6	150.9	0	0	0	111.9	C176 L315 Q319 S320 H321 I327 W384 C507 R510 A512	C176-L323 HydrophobicContact CB-CD1 4.4Å; L315-L323 HydrophobicContact CD2-CD2 3.65Å; Q319-L323 WeakPolarHBondContact O-CB 3.46Å; Q319-L323 PolarHBondContact O-N 2.78Å; Q319-L323 VanDerWaalsContact O-N 3.12Å; S320-L323 PolarHBondContact O-N 2.86Å; H321-L323 PolarHBondContact O-N 3.24Å; L323-I327 HydrophobicContact CD2-CD1 3.34Å; L323-I327 HydrophobicContact CD2-CG1 4.39Å; L323-I327 HydrophobicContact CG-CD1 4.02Å; L323-I327 VanDerWaalsContact O-CG1 3.22Å; L323-I327 WeakPolarHBondContact O-CG1 3.48Å; L323-I327 PolarHBondContact O-N 3.04Å; L323-W384 HydrophobicContact CB-CH2 4.19Å; L323-W384 HydrophobicContact CB-CZ3 4.25Å; L323-W384 HydrophobicContact CG-CH2 4.5Å; L323-C507 HydrophobicContact CD1-CB 4.3Å; L323-C507 HydrophobicContact CD2-CB 3.88Å; L323-C507 VanDerWaalsContact CD2-SG 3.58Å; L323-R510 HydrophobicContact CD1-CB 3.83Å; L323-R510 HydrophobicContact CG-CB 4.07Å; L323-A512 HydrophobicContact CD1-CB 3.72Å
324	I	93.1	Very high	89.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-71.6	-43.1	178.2	-71.3	174.1	0	0	0	111	L315 S320 H321 D326 I327 I328 W343 L459 W477 V479 F503	L315-I324 HydrophobicContact CD1-CD1 4.15Å; L315-I324 HydrophobicContact CD2-CD1 4.02Å; L315-I324 HydrophobicContact CD2-CG1 3.89Å; L315-I324 HydrophobicContact CG-CD1 4.5Å; S320-I324 WeakPolarHBondContact O-CG1 3.28Å; S320-I324 PolarHBondContact O-N 2.84Å; S320-I324 VanDerWaalsContact O-N 3.09Å; H321-I324 PolarHBondContact O-N 3.36Å; I324-D326 PolarHBondContact O-N 3.26Å; I324-I327 PolarHBondContact O-N 3.49Å; I324-I327 VanDerWaalsContact O-N 3.1Å; I324-I328 HydrophobicContact CG2-CD1 3.58Å; I324-I328 HydrophobicContact CG2-CG1 4.02Å; I324-I328 PolarHBondContact O-N 3.31Å; I324-W343 HydrophobicContact CB-CH2 4.44Å; I324-W343 HydrophobicContact CG2-CH2 3.7Å; I324-W343 HydrophobicContact CG2-CZ2 3.71Å; I324-L459 HydrophobicContact CG2-CD1 4Å; I324-L459 HydrophobicContact CG2-CD2 4.05Å; I324-W477 HydrophobicContact CD1-CB 3.25Å; I324-W477 HydrophobicContact CD1-CG 3.61Å; I324-V479 HydrophobicContact CD1-CG2 4.11Å; I324-F503 HydrophobicContact CG1-CZ 4.48Å
325	S	91.1	Very high	88	Confident	26 Å²	26	37.7 Å²	37.7	18%	0.182	21%	0.214	C	C	.	.	H	α-helix	trans	-56.7	-36.7	174.5	61.4	0	0	0	0	112.6	H321 G322	H321-S325 PolarHBondContact O-N 3.39Å; H321-S325 PolarHBondContact O-OG 2.87Å; G322-S325 WeakPolarHBondContact CA-OG 3.4Å; G322-S325 PolarHBondContact O-OG 3.19Å
326	D	89.4	Confident	86.9	Confident	54 Å²	54	42.2 Å²	42.2	29%	0.289	24%	0.238	S	C	.	.	H	α-helix	trans	-79.9	-22	179.5	-75.1	18.2	0	0	0	113.4	G322 I324 N373 W384 R510	G322-D326 WeakPolarHBondContact O-CB 3.25Å; G322-D326 VanDerWaalsContact O-CG 3.3Å; G322-D326 PolarHBondContact O-N 2.87Å; I324-D326 PolarHBondContact O-N 3.26Å; D326-N373 PolarHBondContact O-ND2 2.7Å; D326-W384 HydrophobicContact CB-CZ2 4.34Å; D326-W384 WeakPolarHBondContact OD2-CZ2 3.4Å; D326-W384 PolarHBondContact OD2-NE1 3.28Å; D326-R510 PolarHBondContact O-NH2 3.08Å
327	I	92	Very high	86.2	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-94.5	-44.1	-177.8	-70.3	174.2	0	0	0	111.7	L323 I324 Q329 F370 F503 A506 C507	L323-I327 HydrophobicContact CD2-CD1 3.34Å; L323-I327 HydrophobicContact CD2-CG1 4.39Å; L323-I327 HydrophobicContact CG-CD1 4.02Å; L323-I327 VanDerWaalsContact O-CG1 3.22Å; L323-I327 WeakPolarHBondContact O-CG1 3.48Å; L323-I327 PolarHBondContact O-N 3.04Å; I324-I327 PolarHBondContact O-N 3.49Å; I324-I327 VanDerWaalsContact O-N 3.1Å; I327-Q329 PolarHBondContact O-N 3.48Å; I327-F370 HydrophobicContact CG2-CB 4.04Å; I327-F370 HydrophobicContact CG2-CD1 3.67Å; I327-F370 HydrophobicContact CG2-CE1 4.49Å; I327-F370 HydrophobicContact CG2-CG 4.14Å; I327-F503 HydrophobicContact CB-CE2 4.5Å; I327-F503 HydrophobicContact CD1-CE2 4.48Å; I327-F503 HydrophobicContact CG2-CD2 3.85Å; I327-F503 HydrophobicContact CG2-CE2 3.78Å; I327-A506 HydrophobicContact CD1-CB 3.87Å; I327-A506 HydrophobicContact CG1-CB 4.18Å; I327-A506 HydrophobicContact CG2-CB 4.19Å; I327-C507 HydrophobicContact CD1-CB 4.36Å
328	I	92.2	Very high	85.6	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	27%	0.274	C	S	.	.			trans	-89.3	108.1	-173.5	-58.8	-171.2	0	0	0	108.3	I324 W340 L364 F370 V457 L459 F503	I324-I328 HydrophobicContact CG2-CD1 3.58Å; I324-I328 HydrophobicContact CG2-CG1 4.02Å; I324-I328 PolarHBondContact O-N 3.31Å; I328-W340 HydrophobicContact CG2-CH2 3.84Å; I328-W340 HydrophobicContact CG2-CZ3 4.26Å; I328-L364 HydrophobicContact CG2-CD1 3.7Å; I328-F370 HydrophobicContact CG1-CE1 4.26Å; I328-V457 HydrophobicContact CD1-CG1 3.9Å; I328-L459 HydrophobicContact CD1-CD1 4.21Å; I328-L459 HydrophobicContact CD1-CD2 3.69Å; I328-L459 HydrophobicContact CD1-CG 4.29Å; I328-F503 HydrophobicContact CD1-CE2 4.48Å; I328-F503 HydrophobicContact CG1-CE2 4.36Å
329	Q	90.4	Very high	85.5	Confident	70 Å²	70	46 Å²	46	33%	0.327	26%	0.263	S	S	.	.			trans	-131.2	147.4	-178.4	-63	-174.2	-41.6	0	0	109.3	I327 W340 E368 N373	I327-Q329 PolarHBondContact O-N 3.48Å; Q329-W340 WeakPolarHBondContact O-CH2 3.19Å; Q329-E368 PolarHBondContact O-N 2.99Å; Q329-N373 VanDerWaalsContact CD-ND2 3.29Å; Q329-N373 PolarHBondContact NE2-ND2 2.75Å; Q329-N373 VanDerWaalsContact NE2-ND2 3.14Å; Q329-N373 PolarHBondContact OE1-ND2 3.4Å
330	L	88.8	Confident	85.3	Confident	35 Å²	35	45.4 Å²	45.4	18%	0.183	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-68.7	138.9	175.9	177.2	62.9	0	0	0	109.4	N332 N334 L336 W340	L330-N332 PolarHBondContact O-N 3.1Å; L330-N334 HydrophobicContact CD1-CB 4.05Å; L330-N334 HydrophobicContact CG-CB 4.43Å; L330-L336 HydrophobicContact CD2-CD1 4.43Å; L330-L336 HydrophobicContact CD2-CG 4.25Å; L330-W340 HydrophobicContact CB-CD2 3.92Å; L330-W340 HydrophobicContact CB-CE3 3.92Å; L330-W340 HydrophobicContact CB-CH2 4.02Å; L330-W340 HydrophobicContact CB-CZ2 4Å; L330-W340 HydrophobicContact CB-CZ3 3.98Å; L330-W340 HydrophobicContact CD1-CD2 4.1Å; L330-W340 HydrophobicContact CD1-CG 4.26Å; L330-W340 HydrophobicContact CD1-CZ2 3.96Å; L330-W340 HydrophobicContact CD2-CG 4.47Å; L330-W340 HydrophobicContact CG-CD2 4.43Å
331	K	84.4	Confident	85	Confident	97 Å²	97	48.2 Å²	48.2	42%	0.422	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-63.3	133.3	174.8	-176.5	-176.6	174.9	-169.6	0	111.1	G333 N334 D366	K331-G333 PolarHBondContact O-N 2.96Å; K331-N334 PolarHBondContact O-N 2.92Å; K331-D366 VanDerWaalsContact CB-O 3.28Å; K331-D366 WeakPolarHBondContact CB-O 3.11Å; K331-D366 PolarHBondContact N-O 3.27Å
332	N	77	Confident	84.6	Confident	136 Å²	136	48.2 Å²	48.2	73%	0.727	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	131.6	177.4	-65.2	-34.3	0	0	0	112.1	L330	L330-N332 PolarHBondContact O-N 3.1Å
333	G	72.2	Confident	84.4	Confident	85 Å²	85	48.1 Å²	48.1	88%	0.876	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.6	-5.5	176.4	0	0	0	0	0	115.5	K331	K331-G333 PolarHBondContact O-N 2.96Å
334	N	73.2	Confident	84.3	Confident	53 Å²	53	51.1 Å²	51.1	28%	0.283	29%	0.291	S	S	.	.			trans	-88.1	154.2	176.6	-75.6	-0.2	0	0	0	112.3	L330 K331 D366	L330-N334 HydrophobicContact CD1-CB 4.05Å; L330-N334 HydrophobicContact CG-CB 4.43Å; K331-N334 PolarHBondContact O-N 2.92Å; N334-D366 WeakPolarHBondContact ND2-CB 3.49Å; N334-D366 PolarHBondContact ND2-OD2 3.39Å; N334-D366 VanDerWaalsContact ND2-OD2 3.14Å
335	T	74.2	Confident	83.9	Confident	112 Å²	112	54.5 Å²	54.5	69%	0.687	31%	0.309	S	S	*	.			trans	-69.9	147.6	171.9	47.2	0	0	0	0	110.8	D337	T335-D337 PolarHBondContact O-N 3.31Å
336	L	75.9	Confident	83.6	Confident	95 Å²	95	53.3 Å²	53.3	50%	0.497	30%	0.301	S	S	.	.			trans	-87.3	100.1	-177.2	-143.7	138.9	0	0	0	108.8	L330 W340 T341	L330-L336 HydrophobicContact CD2-CD1 4.43Å; L330-L336 HydrophobicContact CD2-CG 4.25Å; L336-W340 HydrophobicContact CD2-CB 3.98Å; L336-W340 HydrophobicContact CG-CB 4.13Å; L336-T341 HydrophobicContact CD2-CG2 3.24Å
337	D	79.2	Confident	83.4	Confident	64 Å²	64	51.9 Å²	51.9	34%	0.342	30%	0.295	S	S	.	.			trans	-68.7	163.2	178.6	-55.8	-23.3	0	0	0	111.4	T335 N339 W340 T341	T335-D337 PolarHBondContact O-N 3.31Å; D337-N339 VanDerWaalsContact C-N 3.27Å; D337-N339 PolarHBondContact O-N 3.23Å; D337-W340 PolarHBondContact O-N 3.22Å; D337-T341 PolarHBondContact O-N 3.48Å
338	E	80.2	Confident	82.9	Confident	89 Å²	89	55.6 Å²	55.6	42%	0.416	32%	0.318	S	S	.	.	H	α-helix	trans	-51.9	-46.2	176.2	-66.3	-177.4	169.4	0	0	111.4	W340 T341 S342 N433 T435	E338-W340 VanDerWaalsContact C-N 3.26Å; E338-W340 PolarHBondContact O-N 3.16Å; E338-T341 PolarHBondContact O-N 3.18Å; E338-T341 VanDerWaalsContact O-N 3.09Å; E338-T341 PolarHBondContact O-OG1 2.87Å; E338-S342 PolarHBondContact O-N 3.24Å; E338-S342 PolarHBondContact O-OG 3.11Å; E338-N433 PolarHBondContact OE1-ND2 2.73Å; E338-N433 PolarHBondContact OE2-ND2 2.94Å; E338-T435 PolarHBondContact OE2-OG1 3.42Å
339	N	84.7	Confident	82.3	Confident	20 Å²	20	57.1 Å²	57.1	11%	0.107	33%	0.326	C	S	.	.	H	α-helix	trans	-61.7	-33.5	179.7	-62.8	-22.6	0	0	0	113	D337 W343 S363 L364 N436	D337-N339 VanDerWaalsContact C-N 3.27Å; D337-N339 PolarHBondContact O-N 3.23Å; N339-W343 WeakPolarHBondContact O-CB 3.27Å; N339-W343 PolarHBondContact O-N 3.32Å; N339-S363 WeakPolarHBondContact CB-O 3.2Å; N339-S363 PolarHBondContact ND2-O 3.14Å; N339-L364 HydrophobicContact CB-CD2 4.28Å; N339-N436 VanDerWaalsContact CG-OD1 3.27Å; N339-N436 PolarHBondContact ND2-OD1 3.29Å; N339-N436 PolarHBondContact OD1-OD1 2.71Å; N339-N436 VanDerWaalsContact OD1-OD1 3.1Å
340	W	87.3	Confident	81.8	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-74.4	-38.1	175.5	-80.9	106.8	0	0	0	112	I328 Q329 L330 L336 D337 E338 S342 W343 N344 L364 Q365 C367	I328-W340 HydrophobicContact CG2-CH2 3.84Å; I328-W340 HydrophobicContact CG2-CZ3 4.26Å; Q329-W340 WeakPolarHBondContact O-CH2 3.19Å; L330-W340 HydrophobicContact CB-CD2 3.92Å; L330-W340 HydrophobicContact CB-CE3 3.92Å; L330-W340 HydrophobicContact CB-CH2 4.02Å; L330-W340 HydrophobicContact CB-CZ2 4Å; L330-W340 HydrophobicContact CB-CZ3 3.98Å; L330-W340 HydrophobicContact CD1-CD2 4.1Å; L330-W340 HydrophobicContact CD1-CG 4.26Å; L330-W340 HydrophobicContact CD1-CZ2 3.96Å; L330-W340 HydrophobicContact CD2-CG 4.47Å; L330-W340 HydrophobicContact CG-CD2 4.43Å; L336-W340 HydrophobicContact CD2-CB 3.98Å; L336-W340 HydrophobicContact CG-CB 4.13Å; D337-W340 PolarHBondContact O-N 3.22Å; E338-W340 VanDerWaalsContact C-N 3.26Å; E338-W340 PolarHBondContact O-N 3.16Å; W340-S342 VanDerWaalsContact C-N 3.31Å; W340-S342 PolarHBondContact O-N 3.36Å; W340-W343 AromaticContact CE3-CD1 4Å; W340-W343 AromaticContact CZ3-CD1 3.91Å; W340-W343 PolarHBondContact O-N 3.42Å; W340-N344 VanDerWaalsContact O-CB 3.31Å; W340-N344 WeakPolarHBondContact O-CB 3.24Å; W340-N344 PolarHBondContact O-N 3.35Å; W340-N344 PolarHBondContact O-ND2 3.25Å; W340-L364 HydrophobicContact CD2-CD2 4.03Å; W340-L364 HydrophobicContact CE3-CD2 4.25Å; W340-L364 HydrophobicContact CG-CD2 4.38Å; W340-L364 HydrophobicContact CH2-CB 4.45Å; W340-L364 HydrophobicContact CH2-CD1 4.42Å; W340-L364 HydrophobicContact CZ2-CB 4.05Å; W340-L364 HydrophobicContact CZ3-CD1 4.42Å; W340-Q365 WeakPolarHBondContact CZ2-O 3.06Å; W340-Q365 PolarHBondContact NE1-O 2.94Å; W340-C367 HydrophobicContact CZ2-CB 4.46Å
341	T	85.4	Confident	81.4	Confident	59 Å²	59	59.4 Å²	59.4	36%	0.362	33%	0.33	S	S	.	.	H	α-helix	trans	-60.5	-45.4	173.6	67	0	0	0	0	110	L336 D337 E338 N344 N345	L336-T341 HydrophobicContact CD2-CG2 3.24Å; D337-T341 PolarHBondContact O-N 3.48Å; E338-T341 PolarHBondContact O-N 3.18Å; E338-T341 VanDerWaalsContact O-N 3.09Å; E338-T341 PolarHBondContact O-OG1 2.87Å; T341-N344 PolarHBondContact O-N 2.97Å; T341-N345 WeakPolarHBondContact O-CB 3.4Å; T341-N345 PolarHBondContact O-N 3.36Å; T341-N345 PolarHBondContact O-ND2 2.84Å
342	S	83.6	Confident	81.4	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-67.4	-42.9	-179.8	-48.8	0	0	0	0	112.6	E338 W340 N345 L346 F430 Y431	E338-S342 PolarHBondContact O-N 3.24Å; E338-S342 PolarHBondContact O-OG 3.11Å; W340-S342 VanDerWaalsContact C-N 3.31Å; W340-S342 PolarHBondContact O-N 3.36Å; S342-N345 PolarHBondContact O-N 2.81Å; S342-L346 WeakPolarHBondContact O-CB 3.41Å; S342-L346 VanDerWaalsContact O-CG 3.32Å; S342-L346 WeakPolarHBondContact O-CG 3.17Å; S342-L346 PolarHBondContact O-N 2.85Å; S342-F430 WeakPolarHBondContact CB-O 3.46Å; S342-F430 PolarHBondContact OG-O 3.01Å; S342-Y431 VanDerWaalsContact CB-OH 3.3Å; S342-Y431 WeakPolarHBondContact CB-OH 3.35Å; S342-Y431 WeakPolarHBondContact OG-CD1 3.34Å; S342-Y431 WeakPolarHBondContact OG-CE1 3.36Å
343	W	87.9	Confident	82	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-61.8	-43.8	174	171.5	-115.6	0	0	0	111.7	H321 I324 N339 W340 N345 L346 S347 I362 L364 L459 W477	H321-W343 AromaticContact CE1-CH2 3.99Å; H321-W343 AromaticContact CE1-CZ3 3.98Å; I324-W343 HydrophobicContact CB-CH2 4.44Å; I324-W343 HydrophobicContact CG2-CH2 3.7Å; I324-W343 HydrophobicContact CG2-CZ2 3.71Å; N339-W343 WeakPolarHBondContact O-CB 3.27Å; N339-W343 PolarHBondContact O-N 3.32Å; W340-W343 AromaticContact CE3-CD1 4Å; W340-W343 AromaticContact CZ3-CD1 3.91Å; W340-W343 PolarHBondContact O-N 3.42Å; W343-N345 VanDerWaalsContact C-N 3.35Å; W343-N345 PolarHBondContact O-N 3.27Å; W343-L346 PolarHBondContact O-N 3.29Å; W343-S347 VanDerWaalsContact O-CB 3.23Å; W343-S347 WeakPolarHBondContact O-CB 3.44Å; W343-S347 PolarHBondContact O-N 3.25Å; W343-S347 PolarHBondContact O-OG 2.82Å; W343-I362 HydrophobicContact CB-CG2 4.5Å; W343-I362 HydrophobicContact CE3-CD1 3.94Å; W343-I362 HydrophobicContact CZ3-CD1 4.41Å; W343-L364 HydrophobicContact CB-CD1 4.38Å; W343-L364 HydrophobicContact CB-CD2 3.82Å; W343-L364 HydrophobicContact CD2-CD1 4.26Å; W343-L364 HydrophobicContact CG-CD1 3.93Å; W343-L364 HydrophobicContact CG-CD2 4.25Å; W343-L459 HydrophobicContact CD2-CD1 4.32Å; W343-L459 HydrophobicContact CE3-CD1 4.02Å; W343-L459 HydrophobicContact CH2-CD1 3.92Å; W343-L459 HydrophobicContact CZ2-CD1 4.21Å; W343-L459 HydrophobicContact CZ3-CD1 3.82Å; W343-W477 HydrophobicContact CZ3-CZ2 4.46Å
344	N	87.5	Confident	82.6	Confident	63 Å²	63	47.4 Å²	47.4	34%	0.337	25%	0.251	S	S	.	.	H	α-helix	trans	-60.1	-47.6	176.4	-72.6	-23.6	0	0	0	110.4	W340 T341 L346 S347 T348	W340-N344 VanDerWaalsContact O-CB 3.31Å; W340-N344 WeakPolarHBondContact O-CB 3.24Å; W340-N344 PolarHBondContact O-N 3.35Å; W340-N344 PolarHBondContact O-ND2 3.25Å; T341-N344 PolarHBondContact O-N 2.97Å; N344-L346 PolarHBondContact O-N 2.84Å; N344-S347 WeakPolarHBondContact CA-OG 3.37Å; N344-S347 PolarHBondContact O-N 2.91Å; N344-S347 PolarHBondContact O-OG 2.98Å; N344-T348 WeakPolarHBondContact O-CG2 3.37Å; N344-T348 PolarHBondContact O-N 2.88Å; N344-T348 PolarHBondContact O-OG1 2.96Å
345	N	84.5	Confident	83.2	Confident	71 Å²	71	46 Å²	46	38%	0.38	25%	0.245	S	C	.	.	H	α-helix	trans	-58.8	-44.7	176	-71.1	-26.6	0	0	0	112.8	T341 S342 W343 T348 N349 F430	T341-N345 WeakPolarHBondContact O-CB 3.4Å; T341-N345 PolarHBondContact O-N 3.36Å; T341-N345 PolarHBondContact O-ND2 2.84Å; S342-N345 PolarHBondContact O-N 2.81Å; W343-N345 VanDerWaalsContact C-N 3.35Å; W343-N345 PolarHBondContact O-N 3.27Å; N345-T348 PolarHBondContact O-OG1 2.74Å; N345-N349 VanDerWaalsContact O-CB 3.23Å; N345-N349 WeakPolarHBondContact O-CB 3.47Å; N345-N349 PolarHBondContact O-N 3.04Å; N345-N349 PolarHBondContact O-ND2 3.26Å; N345-F430 HydrophobicContact CB-CD1 3.75Å; N345-F430 HydrophobicContact CB-CE1 4Å
346	L	84.8	Confident	83.8	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-64.6	-45.5	176.5	-73.2	174.7	0	0	0	111.2	S342 W343 N344 T348 N349 I350 L360 I362 L422 I427 F430 Y431	S342-L346 WeakPolarHBondContact O-CB 3.41Å; S342-L346 VanDerWaalsContact O-CG 3.32Å; S342-L346 WeakPolarHBondContact O-CG 3.17Å; S342-L346 PolarHBondContact O-N 2.85Å; W343-L346 PolarHBondContact O-N 3.29Å; N344-L346 PolarHBondContact O-N 2.84Å; L346-T348 VanDerWaalsContact C-N 3.28Å; L346-T348 PolarHBondContact O-N 2.98Å; L346-N349 PolarHBondContact O-N 3.2Å; L346-I350 HydrophobicContact CB-CD1 4.49Å; L346-I350 HydrophobicContact CD2-CD1 3.53Å; L346-I350 VanDerWaalsContact O-CB 3.27Å; L346-I350 WeakPolarHBondContact O-CB 3.26Å; L346-I350 PolarHBondContact O-N 3.34Å; L346-L360 HydrophobicContact CD1-CD2 4.19Å; L346-I362 HydrophobicContact CD1-CD1 3.53Å; L346-L422 HydrophobicContact CD2-CD1 4.33Å; L346-I427 HydrophobicContact CD2-CD1 4.01Å; L346-F430 HydrophobicContact CD2-CD2 4.28Å; L346-F430 HydrophobicContact CD2-CG 4.45Å; L346-Y431 HydrophobicContact CD1-CE2 3.98Å
347	S	85.4	Confident	84.3	Confident	25 Å²	25	36.2 Å²	36.2	18%	0.175	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-31.9	-178.5	76.1	0	0	0	0	113.1	W343 N344	W343-S347 VanDerWaalsContact O-CB 3.23Å; W343-S347 WeakPolarHBondContact O-CB 3.44Å; W343-S347 PolarHBondContact O-N 3.25Å; W343-S347 PolarHBondContact O-OG 2.82Å; N344-S347 WeakPolarHBondContact CA-OG 3.37Å; N344-S347 PolarHBondContact O-N 2.91Å; N344-S347 PolarHBondContact O-OG 2.98Å
348	T	82	Confident	84.6	Confident	83 Å²	83	34.8 Å²	34.8	51%	0.509	19%	0.185	S	C	.	.	H	α-helix	trans	-81.2	-40.5	177.4	54.9	0	0	0	0	112.1	N344 N345 L346 R351	N344-T348 WeakPolarHBondContact O-CG2 3.37Å; N344-T348 PolarHBondContact O-N 2.88Å; N344-T348 PolarHBondContact O-OG1 2.96Å; N345-T348 PolarHBondContact O-OG1 2.74Å; L346-T348 VanDerWaalsContact C-N 3.28Å; L346-T348 PolarHBondContact O-N 2.98Å; T348-R351 PolarHBondContact O-NH1 2.88Å
349	N	79.6	Confident	85	Confident	34 Å²	34	30.7 Å²	30.7	18%	0.182	17%	0.166	C	C	.	.	H	α-helix	trans	-85.3	-25	-171.1	-64.3	-22.8	0	0	0	113.2	N345 L346	N345-N349 VanDerWaalsContact O-CB 3.23Å; N345-N349 WeakPolarHBondContact O-CB 3.47Å; N345-N349 PolarHBondContact O-N 3.04Å; N345-N349 PolarHBondContact O-ND2 3.26Å; L346-N349 PolarHBondContact O-N 3.2Å
350	I	80.6	Confident	85.2	Confident	13 Å²	13	30 Å²	30	7%	0.067	16%	0.162	C	C	.	.			trans	-109.3	161	-175.3	-56.6	177.8	0	0	0	110.3	L346 E352 C355 V356 L422	L346-I350 HydrophobicContact CB-CD1 4.49Å; L346-I350 HydrophobicContact CD2-CD1 3.53Å; L346-I350 VanDerWaalsContact O-CB 3.27Å; L346-I350 WeakPolarHBondContact O-CB 3.26Å; L346-I350 PolarHBondContact O-N 3.34Å; I350-E352 WeakPolarHBondContact CG2-O 3.19Å; I350-C355 HydrophobicContact CG2-CB 3.54Å; I350-V356 HydrophobicContact CD1-CG2 3.62Å; I350-V356 HydrophobicContact CG2-CG2 4.33Å; I350-L422 HydrophobicContact CD1-CD1 3.44Å; I350-L422 VanDerWaalsContact CD1-CD1 3.44Å; I350-L422 HydrophobicContact CG1-CD1 4.23Å
351	R	78.7	Confident	85.3	Confident	140 Å²	140	30 Å²	30	53%	0.528	16%	0.162	S	C	.	.	S	Bend	trans	-122.2	-33.9	177.2	-64.4	-67.4	-178.8	-90.4	-2	113	H321 T348	H321-R351 PolarHBondContact CD2-O 2.82Å; T348-R351 PolarHBondContact O-NH1 2.88Å
352	E	85	Confident	85.6	Confident	52 Å²	52	27.1 Å²	27.1	24%	0.243	15%	0.145	C	C	.	.	S	Bend	trans	-126.8	147.6	-176.2	-60.1	-172.8	171.5	0	0	111	R318 I350 A354 C355	R318-E352 WeakPolarHBondContact CD-OE1 3.41Å; R318-E352 WeakPolarHBondContact CG-OE1 3.39Å; I350-E352 WeakPolarHBondContact CG2-O 3.19Å; E352-A354 PolarHBondContact O-N 2.96Å; E352-C355 WeakPolarHBondContact O-CB 3.5Å; E352-C355 PolarHBondContact O-N 3.06Å; E352-C355 VanDerWaalsContact O-N 3.16Å
353	A	89.5	Confident	85.8	Confident	1 Å²	1	27 Å²	27	1%	0.008	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-63.5	-25.5	177.7	0	0	0	0	0	112.9	C355 V356 Q461 V475 G476 W477	A353-C355 PolarHBondContact O-N 2.8Å; A353-V356 WeakPolarHBondContact O-CB 3.38Å; A353-V356 PolarHBondContact O-N 2.77Å; A353-Q461 PolarHBondContact O-NE2 2.91Å; A353-V475 HydrophobicContact CB-CG1 4.19Å; A353-G476 VanDerWaalsContact CB-CA 3.47Å; A353-G476 WeakPolarHBondContact CB-O 3.28Å; A353-W477 HydrophobicContact CB-CG 4.39Å; A353-W477 VanDerWaalsContact CB-NE1 3.29Å
354	A	86.1	Confident	85.9	Confident	14 Å²	14	27 Å²	27	12%	0.116	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-66.7	-21.6	177.5	0	0	0	0	0	113.3	E352 V356 Q421 I468 P472 V475	E352-A354 PolarHBondContact O-N 2.96Å; A354-V356 PolarHBondContact O-N 2.86Å; A354-Q421 WeakPolarHBondContact O-CG 3.45Å; A354-I468 HydrophobicContact CB-CD1 4.1Å; A354-P472 HydrophobicContact CB-CB 4.44Å; A354-V475 HydrophobicContact CB-CB 4.27Å; A354-V475 HydrophobicContact CB-CG1 4.45Å
355	C	85.5	Confident	85.8	Confident	22 Å²	22	26.6 Å²	26.6	15%	0.149	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-73.2	-9.3	176.6	-59.7	0	0	0	0	112.9	I350 E352 A353 Q421 L422	I350-C355 HydrophobicContact CG2-CB 3.54Å; E352-C355 WeakPolarHBondContact O-CB 3.5Å; E352-C355 PolarHBondContact O-N 3.06Å; E352-C355 VanDerWaalsContact O-N 3.16Å; A353-C355 PolarHBondContact O-N 2.8Å; C355-Q421 CarbonylContact O-C 3.12Å; C355-Q421 WeakPolarHBondContact O-CA 3.44Å; C355-L422 PolarHBondContact O-N 2.86Å
356	V	86.2	Confident	85.8	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.006	13%	0.128	C	C	.	.	S	Bend	trans	-102.5	147.9	-179.8	-170.3	0	0	0	0	108.2	I350 A353 A354 L360 Q421 I427 W477	I350-V356 HydrophobicContact CD1-CG2 3.62Å; I350-V356 HydrophobicContact CG2-CG2 4.33Å; A353-V356 WeakPolarHBondContact O-CB 3.38Å; A353-V356 PolarHBondContact O-N 2.77Å; A354-V356 PolarHBondContact O-N 2.86Å; V356-L360 HydrophobicContact CG1-CB 3.72Å; V356-L360 HydrophobicContact CG1-CD2 3.16Å; V356-L360 HydrophobicContact CG1-CG 4.02Å; V356-Q421 PolarHBondContact O-NE2 2.89Å; V356-I427 HydrophobicContact CG1-CD1 4.3Å; V356-W477 HydrophobicContact CG1-CH2 4.37Å; V356-W477 HydrophobicContact CG2-CH2 4.48Å; V356-W477 HydrophobicContact CG2-CZ2 4.18Å
357	P	85.7	Confident	86	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.013	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-57.3	148.8	176	20.5	-31.9	0	0	0	112.7	G359 L360 L422 W424 I427	P357-G359 PolarHBondContact O-N 3.32Å; P357-L360 PolarHBondContact O-N 2.91Å; P357-L422 WeakPolarHBondContact CD-O 3.12Å; P357-W424 HydrophobicContact CB-CD2 3.78Å; P357-W424 VanDerWaalsContact CB-CE2 3.42Å; P357-W424 HydrophobicContact CB-CE3 4.42Å; P357-W424 HydrophobicContact CB-CG 4.09Å; P357-W424 HydrophobicContact CB-CZ2 3.86Å; P357-W424 HydrophobicContact CG-CD2 3.75Å; P357-W424 HydrophobicContact CG-CE3 3.95Å; P357-W424 HydrophobicContact CG-CG 4.23Å; P357-W424 HydrophobicContact CG-CH2 4.44Å; P357-W424 HydrophobicContact CG-CZ2 4.23Å; P357-W424 HydrophobicContact CG-CZ3 4.3Å; P357-I427 HydrophobicContact CG-CD1 4.44Å; P357-I427 HydrophobicContact CG-CG1 3.61Å
358	S	85.6	Confident	86.1	Confident	34 Å²	34	25.5 Å²	25.5	24%	0.238	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	130.7	179.2	-67.1	0	0	0	0	111.2	L360 W424 S463	S358-L360 VanDerWaalsContact C-N 3.33Å; S358-L360 PolarHBondContact O-N 2.97Å; S358-W424 WeakPolarHBondContact O-CZ2 3.45Å; S358-S463 WeakPolarHBondContact CA-OG 3.38Å; S358-S463 WeakPolarHBondContact CB-OG 3.28Å; S358-S463 PolarHBondContact OG-OG 3.17Å
359	G	88.7	Confident	86.3	Confident	2 Å²	2	25.2 Å²	25.2	2%	0.021	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	13.6	178.7	0	0	0	0	0	115.3	C227 E228 P357 V361 Q461	C227-G359 CarbonylContact C-O 3.54Å; C227-G359 VanDerWaalsContact CA-O 3.31Å; C227-G359 WeakPolarHBondContact CA-O 3.48Å; E228-G359 PolarHBondContact N-O 2.84Å; E228-G359 WeakPolarHBondContact O-CA 3.39Å; P357-G359 PolarHBondContact O-N 3.32Å; G359-V361 PolarHBondContact O-N 3.21Å; G359-Q461 WeakPolarHBondContact CA-O 3.29Å; G359-Q461 PolarHBondContact N-O 3.27Å
360	L	89.7	Confident	86.7	Confident	6 Å²	6	23.7 Å²	23.7	3%	0.031	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-56.1	133.1	171.4	-178.1	67.1	0	0	0	110.6	L346 V356 P357 S358 I362 W424 I427 V460 Q461	L346-L360 HydrophobicContact CD1-CD2 4.19Å; V356-L360 HydrophobicContact CG1-CB 3.72Å; V356-L360 HydrophobicContact CG1-CD2 3.16Å; V356-L360 HydrophobicContact CG1-CG 4.02Å; P357-L360 PolarHBondContact O-N 2.91Å; S358-L360 VanDerWaalsContact C-N 3.33Å; S358-L360 PolarHBondContact O-N 2.97Å; L360-I362 HydrophobicContact CD2-CD1 4.01Å; L360-I362 HydrophobicContact CD2-CG1 4.1Å; L360-I362 HydrophobicContact CG-CG1 4.25Å; L360-W424 HydrophobicContact CB-CH2 4.43Å; L360-W424 HydrophobicContact CD1-CH2 4.23Å; L360-W424 HydrophobicContact CD1-CZ3 3.69Å; L360-I427 HydrophobicContact CD1-CG2 3.88Å; L360-I427 HydrophobicContact CD2-CD1 4.39Å; L360-I427 HydrophobicContact CD2-CG2 4.46Å; L360-V460 CarbonylContact O-C 3.57Å; L360-V460 WeakPolarHBondContact O-CA 3.44Å; L360-Q461 HydrophobicContact CB-CB 4.32Å; L360-Q461 PolarHBondContact O-N 3.08Å
361	V	90.3	Very high	86.8	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136	176.5	179.2	0	0	0	0	109.6	L254 G359 N436 V458 L459 V460	L254-V361 HydrophobicContact CD1-CB 4.47Å; L254-V361 HydrophobicContact CD1-CG1 4.28Å; L254-V361 HydrophobicContact CD1-CG2 3.38Å; G359-V361 PolarHBondContact O-N 3.21Å; V361-N436 PolarHBondContact O-ND2 3.43Å; V361-V458 HydrophobicContact CG1-CG1 3.67Å; V361-L459 CarbonylContact C-O 3.6Å; V361-L459 VanDerWaalsContact CA-O 3.27Å; V361-L459 WeakPolarHBondContact CA-O 3.44Å; V361-V460 HydrophobicContact CG2-CG1 4.26Å; V361-V460 HydrophobicContact CG2-CG2 4.15Å
362	I	89.7	Confident	87	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	122	175	-53.2	174.1	0	0	0	108.7	W343 L346 L360 L364 Y431 V458 L459 W477	W343-I362 HydrophobicContact CB-CG2 4.5Å; W343-I362 HydrophobicContact CE3-CD1 3.94Å; W343-I362 HydrophobicContact CZ3-CD1 4.41Å; L346-I362 HydrophobicContact CD1-CD1 3.53Å; L360-I362 HydrophobicContact CD2-CD1 4.01Å; L360-I362 HydrophobicContact CD2-CG1 4.1Å; L360-I362 HydrophobicContact CG-CG1 4.25Å; I362-L364 HydrophobicContact CG2-CD2 3.87Å; I362-L364 HydrophobicContact CG2-CG 4.04Å; I362-Y431 WeakPolarHBondContact CD1-OH 3.49Å; I362-Y431 WeakPolarHBondContact CG1-OH 3.23Å; I362-Y431 VanDerWaalsContact CG2-OH 3.3Å; I362-Y431 WeakPolarHBondContact CG2-OH 3.37Å; I362-V458 WeakPolarHBondContact O-CA 3.25Å; I362-L459 HydrophobicContact CB-CB 4.27Å; I362-L459 PolarHBondContact N-O 2.8Å; I362-L459 PolarHBondContact O-N 3.42Å; I362-W477 HydrophobicContact CD1-CH2 4.16Å; I362-W477 HydrophobicContact CD1-CZ3 4.38Å
363	S	88.8	Confident	86.7	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.007	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	112.6	-179.5	-68.1	0	0	0	0	110.6	N339 N436 P438	N339-S363 WeakPolarHBondContact CB-O 3.2Å; N339-S363 PolarHBondContact ND2-O 3.14Å; S363-N436 PolarHBondContact N-OD1 3.24Å; S363-P438 WeakPolarHBondContact OG-CA 3.43Å
364	L	89.5	Confident	86.3	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	116.6	-177.7	-59.5	175.5	0	0	0	110	I328 N339 W340 W343 I362 D456 V457 L459	I328-L364 HydrophobicContact CG2-CD1 3.7Å; N339-L364 HydrophobicContact CB-CD2 4.28Å; W340-L364 HydrophobicContact CD2-CD2 4.03Å; W340-L364 HydrophobicContact CE3-CD2 4.25Å; W340-L364 HydrophobicContact CG-CD2 4.38Å; W340-L364 HydrophobicContact CH2-CB 4.45Å; W340-L364 HydrophobicContact CH2-CD1 4.42Å; W340-L364 HydrophobicContact CZ2-CB 4.05Å; W340-L364 HydrophobicContact CZ3-CD1 4.42Å; W343-L364 HydrophobicContact CB-CD1 4.38Å; W343-L364 HydrophobicContact CB-CD2 3.82Å; W343-L364 HydrophobicContact CD2-CD1 4.26Å; W343-L364 HydrophobicContact CG-CD1 3.93Å; W343-L364 HydrophobicContact CG-CD2 4.25Å; I362-L364 HydrophobicContact CG2-CD2 3.87Å; I362-L364 HydrophobicContact CG2-CG 4.04Å; L364-D456 WeakPolarHBondContact O-CA 3.46Å; L364-V457 PolarHBondContact N-O 3.23Å; L364-V457 PolarHBondContact O-N 3.32Å; L364-L459 HydrophobicContact CD1-CD1 3.86Å; L364-L459 HydrophobicContact CD1-CG 4.44Å
365	Q	85.8	Confident	85.9	Confident	55 Å²	55	28.2 Å²	28.2	26%	0.257	15%	0.148	S	C	.	.			trans	-93.7	155.8	178.1	-42.2	-159.9	-16.2	0	0	110.9	W340 C367 Q440 L441 D456	W340-Q365 WeakPolarHBondContact CZ2-O 3.06Å; W340-Q365 PolarHBondContact NE1-O 2.94Å; Q365-C367 PolarHBondContact O-N 2.91Å; Q365-Q440 VanDerWaalsContact NE2-OE1 3.13Å; Q365-L441 HydrophobicContact CB-CD2 4.49Å; Q365-L441 HydrophobicContact CG-CD1 4.32Å; Q365-L441 HydrophobicContact CG-CD2 3.81Å; Q365-L441 HydrophobicContact CG-CG 4.42Å; Q365-D456 WeakPolarHBondContact CA-OD1 3.23Å
366	D	84.8	Confident	85.3	Confident	22 Å²	22	39 Å²	39	12%	0.118	19%	0.186	C	C	.	.	S	Bend	trans	55.9	42.6	171	-83.3	-29.1	0	0	0	114.3	K331 N334 K451 S454 D456	K331-D366 VanDerWaalsContact CB-O 3.28Å; K331-D366 WeakPolarHBondContact CB-O 3.11Å; K331-D366 PolarHBondContact N-O 3.27Å; N334-D366 WeakPolarHBondContact ND2-CB 3.49Å; N334-D366 PolarHBondContact ND2-OD2 3.39Å; N334-D366 VanDerWaalsContact ND2-OD2 3.14Å; D366-K451 IonicContact OD2-NZ 3.74Å; D366-K451 PolarHBondContact OD2-NZ 3.14Å; D366-S454 WeakPolarHBondContact OD1-CB 3.42Å; D366-D456 PolarHBondContact N-OD1 2.94Å
367	C	88.2	Confident	84.7	Confident	5 Å²	5	45.2 Å²	45.2	3%	0.034	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-63.7	146.3	173.6	-59.5	0	0	0	0	111.9	W340 Q365 F370 I455 V457	W340-C367 HydrophobicContact CZ2-CB 4.46Å; Q365-C367 PolarHBondContact O-N 2.91Å; C367-F370 HydrophobicContact CB-CE1 4.47Å; C367-I455 WeakPolarHBondContact CA-O 3.49Å; C367-I455 HydrophobicContact CB-CB 4.25Å; C367-I455 HydrophobicContact CB-CG2 4.32Å; C367-I455 WeakPolarHBondContact CB-O 3.41Å; C367-I455 PolarHBondContact N-O 3.23Å; C367-I455 PolarHBondContact SG-O 3Å; C367-V457 HydrophobicContact CB-CG2 4.31Å; C367-V457 VanDerWaalsContact SG-CG2 3.53Å
368	E	87.4	Confident	84	Confident	48 Å²	48	50 Å²	50	22%	0.224	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-64.8	159.9	170.4	-148.1	-163.5	152.3	0	0	111.2	Q329 F370 S372	Q329-E368 PolarHBondContact O-N 2.99Å; E368-F370 PolarHBondContact O-N 2.76Å; E368-F370 VanDerWaalsContact O-N 3.15Å; E368-S372 WeakPolarHBondContact OE1-CB 3.47Å; E368-S372 PolarHBondContact OE1-OG 3.04Å; E368-S372 PolarHBondContact OE2-OG 2.73Å
369	N	85.9	Confident	83.5	Confident	76 Å²	76	52.9 Å²	52.9	41%	0.406	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-61.6	121.4	175.8	-170	-58	0	0	0	110.5	R371 S372	N369-R371 PolarHBondContact O-N 2.85Å; N369-R371 WeakPolarHBondContact OD1-CB 3.2Å; N369-R371 PolarHBondContact OD1-N 2.84Å; N369-S372 PolarHBondContact O-N 3.14Å; N369-S372 PolarHBondContact O-OG 2.67Å
370	F	89.4	Confident	82.6	Confident	3 Å²	3	59.3 Å²	59.3	1%	0.013	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-16.1	-178.7	-52.6	-50.7	0	0	0	115.7	I327 I328 C367 E368 I455 V457 L481 F503 A506	I327-F370 HydrophobicContact CG2-CB 4.04Å; I327-F370 HydrophobicContact CG2-CD1 3.67Å; I327-F370 HydrophobicContact CG2-CE1 4.49Å; I327-F370 HydrophobicContact CG2-CG 4.14Å; I328-F370 HydrophobicContact CG1-CE1 4.26Å; C367-F370 HydrophobicContact CB-CE1 4.47Å; E368-F370 PolarHBondContact O-N 2.76Å; E368-F370 VanDerWaalsContact O-N 3.15Å; F370-I455 HydrophobicContact CE1-CG2 4.39Å; F370-I455 HydrophobicContact CE2-CG2 3.79Å; F370-I455 HydrophobicContact CZ-CG2 3.56Å; F370-V457 HydrophobicContact CE1-CG2 4.22Å; F370-V457 HydrophobicContact CZ-CG2 3.78Å; F370-L481 HydrophobicContact CE2-CD1 4.27Å; F370-L481 HydrophobicContact CE2-CD2 4.49Å; F370-L481 HydrophobicContact CZ-CD2 4.25Å; F370-F503 HydrophobicContact CD1-CD2 4.04Å; F370-F503 HydrophobicContact CD2-CB 3.56Å; F370-F503 HydrophobicContact CD2-CD2 4.03Å; F370-F503 HydrophobicContact CD2-CG 4.3Å; F370-F503 HydrophobicContact CE1-CD2 4.08Å; F370-F503 HydrophobicContact CE2-CB 3.84Å; F370-F503 HydrophobicContact CE2-CD2 4.06Å; F370-F503 HydrophobicContact CE2-CG 4.37Å; F370-F503 HydrophobicContact CG-CB 4.18Å; F370-F503 HydrophobicContact CG-CD2 4Å; F370-F503 HydrophobicContact CZ-CD2 4.08Å; F370-A506 HydrophobicContact CB-CB 4.21Å; F370-A506 WeakPolarHBondContact O-CB 3.33Å
371	R	82.6	Confident	81.7	Confident	71 Å²	71	61.4 Å²	61.4	27%	0.268	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-13.6	176.2	-68.6	-174.4	167.9	137.2	7.7	115.1	N369 R374 D502	N369-R371 PolarHBondContact O-N 2.85Å; N369-R371 WeakPolarHBondContact OD1-CB 3.2Å; N369-R371 PolarHBondContact OD1-N 2.84Å; R371-R374 VanDerWaalsContact O-CB 3.25Å; R371-R374 WeakPolarHBondContact O-CB 3.28Å; R371-R374 PolarHBondContact O-N 3.25Å; R371-D502 HydrophobicContact CG-CB 4.26Å; R371-D502 IonicContact CZ-OD1 2.85Å; R371-D502 IonicContact CZ-OD2 3.19Å; R371-D502 IonicContact NE-OD1 2.79Å; R371-D502 IonicContact NE-OD2 2.6Å; R371-D502 IonicContact NH1-OD1 2.87Å; R371-D502 PolarHBondContact NH1-OD1 2.86Å; R371-D502 IonicContact NH1-OD2 2.71Å; R371-D502 PolarHBondContact NH1-OD2 2.77Å; R371-D502 VanDerWaalsContact NH2-CG 3.28Å; R371-D502 IonicContact NH2-OD1 3.02Å; R371-D502 PolarHBondContact NH2-OD1 2.96Å; R371-D502 IonicContact NH2-OD2 3.64Å
372	S	82.9	Confident	80.7	Confident	63 Å²	63	70.9 Å²	70.9	44%	0.441	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-51.7	-179.4	60.6	0	0	0	0	110.3	E368 N369 R374	E368-S372 WeakPolarHBondContact OE1-CB 3.47Å; E368-S372 PolarHBondContact OE1-OG 3.04Å; E368-S372 PolarHBondContact OE2-OG 2.73Å; N369-S372 PolarHBondContact O-N 3.14Å; N369-S372 PolarHBondContact O-OG 2.67Å; S372-R374 PolarHBondContact O-N 2.81Å; S372-R374 VanDerWaalsContact O-N 3.09Å
373	N	78.3	Confident	79.7	Confident	65 Å²	65	76.1 Å²	76.1	35%	0.348	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	38.5	175.7	-170.1	11.8	0	0	0	112.8	D326 Q329 R510	D326-N373 PolarHBondContact O-ND2 2.7Å; Q329-N373 VanDerWaalsContact CD-ND2 3.29Å; Q329-N373 PolarHBondContact NE2-ND2 2.75Å; Q329-N373 VanDerWaalsContact NE2-ND2 3.14Å; Q329-N373 PolarHBondContact OE1-ND2 3.4Å; N373-R510 PolarHBondContact O-NH1 3.18Å; N373-R510 PolarHBondContact O-NH2 2.85Å
374	R	80.8	Confident	78.8	Confident	83 Å²	83	77.3 Å²	77.3	31%	0.313	35%	0.353	S	S	.	.			trans	-86.6	130.3	-179.9	-175.7	-172.6	-177.9	-175.2	4.6	111	R371 S372 I505 Y509	R371-R374 VanDerWaalsContact O-CB 3.25Å; R371-R374 WeakPolarHBondContact O-CB 3.28Å; R371-R374 PolarHBondContact O-N 3.25Å; S372-R374 PolarHBondContact O-N 2.81Å; S372-R374 VanDerWaalsContact O-N 3.09Å; R374-I505 VanDerWaalsContact NH2-CG2 3.25Å; R374-Y509 HydrophobicContact CG-CD1 4.11Å; R374-Y509 HydrophobicContact CG-CG 4.18Å; R374-Y509 VanDerWaalsContact NE-CD1 3.26Å; R374-Y509 VanDerWaalsContact NE-CG 3.29Å; R374-Y509 VanDerWaalsContact NH2-CD2 3.31Å; R374-Y509 PolarHBondContact NH2-OH 3.38Å
375	P	77.5	Confident	77.4	Confident	33 Å²	33	79.9 Å²	79.9	21%	0.214	37%	0.371	C	S	.	.			trans	-64.9	146.4	176.9	27.5	-34.7	0	0	0	111.5	L377 I379 R510	P375-L377 VanDerWaalsContact C-N 3.26Å; P375-L377 PolarHBondContact O-N 2.85Å; P375-I379 HydrophobicContact CB-CD1 4.23Å; P375-R510 HydrophobicContact CG-CG 4.35Å
376	R	73.3	Confident	75.9	Confident	249 Å²	249	83.3 Å²	83.3	94%	0.94	39%	0.39	S	S	*	.	S	Bend	trans	-61.4	-33.6	-179.5	-70.6	-177.3	178.6	162.7	0.4	112.8
377	L	73.2	Confident	74.3	Confident	130 Å²	130	89.4 Å²	89.4	68%	0.681	42%	0.419	S	S	*	.	S	Bend	trans	-122.6	158.3	179	-65.6	175.7	0	0	0	110.7	P375 I379	P375-L377 VanDerWaalsContact C-N 3.26Å; P375-L377 PolarHBondContact O-N 2.85Å; L377-I379 HydrophobicContact CB-CG1 4.43Å; L377-I379 PolarHBondContact O-N 3.2Å; L377-I379 VanDerWaalsContact O-N 3.15Å
378	K	71.6	Confident	72.1	Confident	104 Å²	104	92.9 Å²	92.9	45%	0.452	44%	0.442	S	S	.	.			trans	-69.5	109.3	172.3	-177.6	172.7	175.9	179.6	0	108.2	V508 Y509 E513	K378-V508 VanDerWaalsContact CD-O 3.32Å; K378-V508 WeakPolarHBondContact CD-O 3.46Å; K378-V508 WeakPolarHBondContact CE-O 3.45Å; K378-V508 WeakPolarHBondContact CG-O 3.45Å; K378-Y509 CarbonylContact C-O 3.57Å; K378-Y509 VanDerWaalsContact CA-O 3.26Å; K378-Y509 WeakPolarHBondContact CA-O 3.33Å; K378-E513 IonicContact NZ-OE1 3.04Å; K378-E513 PolarHBondContact NZ-OE1 3.5Å; K378-E513 VanDerWaalsContact NZ-OE1 3.12Å
379	I	74.7	Confident	69.7	Low	93 Å²	93	97.6 Å²	97.6	48%	0.477	47%	0.467	S	S	.	.			trans	-118	140.8	-177.1	-62.4	164.2	0	0	0	108.2	P375 L377 Y509 R510 G511	P375-I379 HydrophobicContact CB-CD1 4.23Å; L377-I379 HydrophobicContact CB-CG1 4.43Å; L377-I379 PolarHBondContact O-N 3.2Å; L377-I379 VanDerWaalsContact O-N 3.15Å; I379-Y509 PolarHBondContact N-O 3.44Å; I379-R510 CarbonylContact O-C 3.53Å; I379-R510 WeakPolarHBondContact O-CA 3.46Å; I379-G511 PolarHBondContact O-N 2.82Å
380	R	70.6	Confident	67.1	Low	138 Å²	138	103.1 Å²	103.1	52%	0.521	49%	0.487	S	S	.	.			trans	-105.3	108.5	165.3	-79.5	179	-179.4	167	2.9	107.5	R382 G511 E513	R380-R382 PolarHBondContact O-N 2.89Å; R380-G511 PolarHBondContact NE-O 2.87Å; R380-E513 IonicContact CZ-OE1 2.87Å; R380-E513 IonicContact NH2-OE1 2.93Å; R380-E513 PolarHBondContact NH2-OE1 2.96Å
381	N	70.8	Confident	64.5	Low	50 Å²	50	108.6 Å²	108.6	27%	0.267	52%	0.516	S	S	.	.			trans	-75.9	108.6	176.8	-169.9	-4.3	0	0	0	109	N383 W384	N381-N383 PolarHBondContact O-N 3.3Å; N381-N383 VanDerWaalsContact OD1-CB 3.22Å; N381-N383 WeakPolarHBondContact OD1-CB 3.29Å; N381-N383 PolarHBondContact OD1-N 2.73Å; N381-W384 HydrophobicContact CB-CD2 3.79Å; N381-W384 HydrophobicContact CB-CE3 3.98Å; N381-W384 HydrophobicContact CB-CG 4.44Å; N381-W384 HydrophobicContact CB-CH2 3.91Å; N381-W384 HydrophobicContact CB-CZ2 3.72Å; N381-W384 HydrophobicContact CB-CZ3 4.05Å; N381-W384 VanDerWaalsContact O-CE3 3.28Å
382	R	68.6	Low	62.2	Low	199 Å²	199	109.4 Å²	109.4	75%	0.751	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-77.1	-14.2	179.2	-63.5	-174.9	-176	-176.3	2.6	112.3	R380 W384 S385	R380-R382 PolarHBondContact O-N 2.89Å; R382-W384 PolarHBondContact O-N 2.81Å; R382-S385 PolarHBondContact O-N 3.02Å; R382-S385 PolarHBondContact O-OG 3.48Å
383	N	69	Low	59.8	Low	110 Å²	110	114 Å²	114	59%	0.588	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-66.7	-23.4	-178.4	-59.9	-7.7	0	0	0	111.9	N381 S385 I386	N381-N383 PolarHBondContact O-N 3.3Å; N381-N383 VanDerWaalsContact OD1-CB 3.22Å; N381-N383 WeakPolarHBondContact OD1-CB 3.29Å; N381-N383 PolarHBondContact OD1-N 2.73Å; N383-S385 PolarHBondContact O-N 2.87Å; N383-S385 VanDerWaalsContact O-N 3.17Å; N383-I386 HydrophobicContact CB-CD1 4.33Å
384	W	69.1	Low	57.8	Low	27 Å²	27	117.4 Å²	117.4	10%	0.102	57%	0.57	C	S	.	*	G	3₁₀ helix	trans	-63.5	-16.7	173.3	-58	-36.5	0	0	0	113.8	Q319 G322 L323 D326 N381 R382 R510	Q319-W384 HydrophobicContact CB-CE3 3.99Å; Q319-W384 HydrophobicContact CG-CB 4.47Å; Q319-W384 HydrophobicContact CG-CE3 4.25Å; G322-W384 PolarHBondContact O-NE1 3.11Å; L323-W384 HydrophobicContact CB-CH2 4.19Å; L323-W384 HydrophobicContact CB-CZ3 4.25Å; L323-W384 HydrophobicContact CG-CH2 4.5Å; D326-W384 HydrophobicContact CB-CZ2 4.34Å; D326-W384 WeakPolarHBondContact OD2-CZ2 3.4Å; D326-W384 PolarHBondContact OD2-NE1 3.28Å; N381-W384 HydrophobicContact CB-CD2 3.79Å; N381-W384 HydrophobicContact CB-CE3 3.98Å; N381-W384 HydrophobicContact CB-CG 4.44Å; N381-W384 HydrophobicContact CB-CH2 3.91Å; N381-W384 HydrophobicContact CB-CZ2 3.72Å; N381-W384 HydrophobicContact CB-CZ3 4.05Å; N381-W384 VanDerWaalsContact O-CE3 3.28Å; R382-W384 PolarHBondContact O-N 2.81Å; W384-R510 HydrophobicContact CH2-CB 3.99Å; W384-R510 HydrophobicContact CH2-CG 4.25Å
385	S	60.3	Low	55.4	Low	54 Å²	54	120.1 Å²	120.1	38%	0.378	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-116.3	5.5	-173	47.6	0	0	0	0	115.2	R382 N383 M387	R382-S385 PolarHBondContact O-N 3.02Å; R382-S385 PolarHBondContact O-OG 3.48Å; N383-S385 PolarHBondContact O-N 2.87Å; N383-S385 VanDerWaalsContact O-N 3.17Å; S385-M387 PolarHBondContact O-N 2.92Å
386	I	55.7	Low	53.2	Low	126 Å²	126	123.8 Å²	123.8	65%	0.646	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-64.1	128.4	179.6	-61.2	170.7	0	0	0	108.8	N383	N383-I386 HydrophobicContact CB-CD1 4.33Å
387	M	49.8	Very low	51.3	Low	150 Å²	150	120.9 Å²	120.9	74%	0.739	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-55.3	152.2	175.8	-69.1	-135.4	82.5	0	0	110.8	S385 I389	S385-M387 PolarHBondContact O-N 2.92Å; M387-I389 PolarHBondContact O-N 2.61Å
388	P	42.3	Very low	49.2	Very low	78 Å²	78	122.3 Å²	122.3	51%	0.506	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-48.7	134.9	-177.2	18.2	-31.5	0	0	0	110.6	K390 P417	P388-K390 PolarHBondContact O-N 3.49Å; P388-P417 WeakPolarHBondContact CB-O 3.3Å; P388-P417 WeakPolarHBondContact CG-O 3.38Å
389	I	36.9	Very low	47.2	Very low	148 Å²	148	125.2 Å²	125.2	76%	0.759	63%	0.633	S	S	*	*			trans	-51.5	112.1	165.8	-64.4	165.7	0	0	0	104.7	M387 L391	M387-I389 PolarHBondContact O-N 2.61Å; I389-L391 PolarHBondContact O-N 3.38Å
390	K	31.7	Very low	45.4	Very low	191 Å²	191	129 Å²	129	83%	0.83	65%	0.648	S	S	*	*			trans	-55.7	112.3	162.1	-73.8	-176.1	176.2	-174.3	0	103.7	P388 S392	P388-K390 PolarHBondContact O-N 3.49Å; K390-S392 VanDerWaalsContact C-N 3.29Å; K390-S392 PolarHBondContact O-N 3.43Å
391	L	34.2	Very low	43.4	Very low	119 Å²	119	130.9 Å²	130.9	62%	0.623	66%	0.663	S	S	*	*			trans	-51.4	108.9	167	-98.5	122.4	0	0	0	104.8	I389 D393 P417	I389-L391 PolarHBondContact O-N 3.38Å; L391-D393 PolarHBondContact O-N 3.3Å; L391-P417 HydrophobicContact CD1-CB 4.41Å; L391-P417 HydrophobicContact CD1-CG 3.88Å
392	S	33.9	Very low	41.3	Very low	87 Å²	87	135 Å²	135	61%	0.608	69%	0.692	S	S	*	*			trans	-50.1	129.6	169.3	45	0	0	0	0	106.2	K390 N394	K390-S392 VanDerWaalsContact C-N 3.29Å; K390-S392 PolarHBondContact O-N 3.43Å; S392-N394 VanDerWaalsContact C-N 3.3Å; S392-N394 PolarHBondContact O-N 3.16Å
393	D	34.4	Very low	39.5	Very low	159 Å²	159	130 Å²	130	85%	0.85	69%	0.688	S	S	*	*			trans	-40.2	97.7	172	-62.6	-56.3	0	0	0	109	L391 N395	L391-D393 PolarHBondContact O-N 3.3Å; D393-N395 PolarHBondContact O-N 2.89Å
394	N	34.9	Very low	37.4	Very low	137 Å²	137	131.9 Å²	131.9	73%	0.733	70%	0.703	S	S	*	*			trans	-69.6	98	173.1	-85	-18.2	0	0	0	105	S392	S392-N394 VanDerWaalsContact C-N 3.3Å; S392-N394 PolarHBondContact O-N 3.16Å
395	N	29.9	Very low	35.5	Very low	140 Å²	140	136.5 Å²	136.5	75%	0.749	73%	0.729	S	S	*	*			trans	0.9	122.7	171.5	-76	-40.2	0	0	0	116.4	D393 K397	D393-N395 PolarHBondContact O-N 2.89Å; N395-K397 PolarHBondContact O-N 2.89Å
396	P	31.8	Very low	33.8	Very low	111 Å²	111	143.6 Å²	143.6	72%	0.721	76%	0.756	S	S	*	*	S	Bend	trans	-75.6	30.6	-175.5	33.1	-37.3	0	0	0	114.8
397	K	32.9	Very low	32.4	Very low	187 Å²	187	141.9 Å²	141.9	81%	0.813	76%	0.755	S	S	*	*			trans	-88.7	-0.4	-173.3	-78.3	-163	175.4	-174.2	0	116.9	N395	N395-K397 PolarHBondContact O-N 2.89Å
398	N	30.8	Very low	31.2	Very low	160 Å²	160	142.2 Å²	142.2	86%	0.856	76%	0.759	S	S	*	*			trans	-118.6	66.9	175.4	-71.3	-12	0	0	0	111.2
399	Q	29	Very low	30.5	Very low	166 Å²	166	144.6 Å²	144.6	78%	0.776	77%	0.768	S	S	*	*			trans	-93.9	74.9	162	-71.7	-174	-2.5	0	0	108.9
400	H	36.1	Very low	29.9	Very low	172 Å²	172	143.8 Å²	143.8	80%	0.796	77%	0.765	S	S	*	*			trans	-135.6	110.1	163.5	-75.4	-61.4	0	0	0	110.2
401	Q	29.6	Very low	29.6	Very low	178 Å²	178	144.5 Å²	144.5	83%	0.832	77%	0.768	S	S	*	*			trans	74.6	121.8	157.2	-64.3	-176.7	-13.5	0	0	119	S403	Q401-S403 PolarHBondContact O-N 2.94Å
402	P	26.9	Very low	29.2	Very low	135 Å²	135	143 Å²	143	88%	0.877	77%	0.767	S	S	*	*			trans	-86.5	100.3	170.6	33.3	-26.7	0	0	0	109.4
403	S	29.4	Very low	28.8	Very low	94 Å²	94	141.5 Å²	141.5	66%	0.657	77%	0.766	S	S	*	*			trans	-105.1	111.9	164.1	56.7	0	0	0	0	109.1	Q401 I405	Q401-S403 PolarHBondContact O-N 2.94Å; S403-I405 PolarHBondContact O-N 2.96Å
404	T	25.6	Very low	28.5	Very low	150 Å²	150	140.2 Å²	140.2	92%	0.92	75%	0.753	S	S	*	*			trans	-54.7	95.2	164.9	12.9	0	0	0	0	109.9
405	I	29	Very low	28.4	Very low	125 Å²	125	137.7 Å²	137.7	64%	0.641	74%	0.742	S	S	*	*			trans	-135.5	106.8	166.4	-58.2	-179.9	0	0	0	107.8	S403 S407	S403-I405 PolarHBondContact O-N 2.96Å; I405-S407 PolarHBondContact O-N 3.03Å; I405-S407 VanDerWaalsContact O-N 3.15Å
406	E	25.2	Very low	28.9	Very low	203 Å²	203	134.1 Å²	134.1	95%	0.949	72%	0.723	S	S	*	*			trans	-64.7	96.6	156.9	-66.9	176.4	150.8	0	0	107.9
407	S	25.8	Very low	29.3	Very low	90 Å²	90	131.8 Å²	131.8	63%	0.629	71%	0.708	S	S	*	*			trans	-150.7	122.5	163.1	63.9	0	0	0	0	111.7	I405	I405-S407 PolarHBondContact O-N 3.03Å; I405-S407 VanDerWaalsContact O-N 3.15Å
408	L	25.7	Very low	30.1	Very low	156 Å²	156	127.1 Å²	127.1	82%	0.817	70%	0.699	S	S	*	*			trans	22.4	110.2	135.7	-108	66.5	0	0	0	116.1
409	D	26.1	Very low	31.2	Very low	128 Å²	128	122.3 Å²	122.3	68%	0.684	69%	0.687	S	S	*	*			trans	155.4	72.1	135.4	-82.2	-23.2	0	0	0	111.4
410	N	24.7	Very low	33	Very low	131 Å²	131	120.4 Å²	120.4	70%	0.701	68%	0.676	S	S	*	*			trans	-113.8	75.5	157.7	-80.5	-30.2	0	0	0	108.8	S412	N410-S412 PolarHBondContact O-N 3.13Å; N410-S412 VanDerWaalsContact O-N 3.16Å
411	K	25.2	Very low	34.7	Very low	207 Å²	207	114.4 Å²	114.4	90%	0.9	65%	0.648	S	S	*	*			trans	-72.5	19.3	168.4	-91.4	179.1	176.5	169.5	0	113.5
412	S	25.8	Very low	37	Very low	86 Å²	86	106.8 Å²	106.8	60%	0.601	61%	0.613	S	S	*	*	S	Bend	trans	-115	128.7	174.9	61.6	0	0	0	0	109.6	N410 F414	N410-S412 PolarHBondContact O-N 3.13Å; N410-S412 VanDerWaalsContact O-N 3.16Å; S412-F414 PolarHBondContact O-N 3.48Å
413	G	25.9	Very low	39.5	Very low	57 Å²	57	102.2 Å²	102.2	59%	0.588	58%	0.584	S	S	*	*			trans	-48.9	130.8	-170.8	0	0	0	0	0	113.5	V415	G413-V415 PolarHBondContact O-N 3.07Å
414	F	28.1	Very low	41.8	Very low	132 Å²	132	98.2 Å²	98.2	58%	0.579	56%	0.555	S	S	*	*			trans	-61.2	95.1	175.2	-67.8	-89.9	0	0	0	110.4	S412	S412-F414 PolarHBondContact O-N 3.48Å
415	V	33.6	Very low	44.3	Very low	83 Å²	83	96.5 Å²	96.5	50%	0.503	54%	0.539	S	S	.	.			trans	-97.8	109.1	162.6	-179.5	0	0	0	0	106.1	G413 P417	G413-V415 PolarHBondContact O-N 3.07Å; V415-P417 WeakPolarHBondContact O-CD 3.41Å
416	L	39.7	Very low	46.6	Very low	66 Å²	66	92.3 Å²	92.3	35%	0.346	52%	0.518	S	S	.	.			trans	-75.6	107	172.3	-76.9	164	0	0	0	108.4	S418 K420 L422	L416-S418 PolarHBondContact O-N 3.23Å; L416-K420 HydrophobicContact CD1-CB 4.21Å; L416-K420 HydrophobicContact CD1-CD 4.47Å; L416-K420 HydrophobicContact CD1-CG 4.44Å; L416-K420 HydrophobicContact CD2-CB 4.44Å; L416-K420 HydrophobicContact CD2-CD 4.25Å; L416-L422 HydrophobicContact CD1-CD2 3.53Å; L416-L422 HydrophobicContact CD1-CG 4.39Å
417	P	41.1	Very low	49.1	Very low	62 Å²	62	82.8 Å²	82.8	40%	0.403	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-14	-178	-11.6	30.3	0	0	0	111.9	P388 L391 V415 G419	P388-P417 WeakPolarHBondContact CB-O 3.3Å; P388-P417 WeakPolarHBondContact CG-O 3.38Å; L391-P417 HydrophobicContact CD1-CB 4.41Å; L391-P417 HydrophobicContact CD1-CG 3.88Å; V415-P417 WeakPolarHBondContact O-CD 3.41Å; P417-G419 VanDerWaalsContact C-N 3.34Å; P417-G419 PolarHBondContact O-N 3.24Å
418	S	48.4	Very low	51.4	Low	89 Å²	89	80.7 Å²	80.7	62%	0.622	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-1.1	-169.2	51.7	0	0	0	0	114.8	L416 K420	L416-S418 PolarHBondContact O-N 3.23Å; S418-K420 PolarHBondContact O-N 3.34Å; S418-K420 VanDerWaalsContact OG-CB 3.23Å; S418-K420 WeakPolarHBondContact OG-CB 3.34Å; S418-K420 PolarHBondContact OG-N 2.95Å
419	G	54.1	Low	53.7	Low	58 Å²	58	79.9 Å²	79.9	60%	0.598	45%	0.446	S	S	*	.			trans	64.2	16.4	-167.4	0	0	0	0	0	112.5	P417 Q421	P417-G419 VanDerWaalsContact C-N 3.34Å; P417-G419 PolarHBondContact O-N 3.24Å; G419-Q421 PolarHBondContact O-N 2.93Å
420	K	67.7	Low	55.7	Low	126 Å²	126	75.3 Å²	75.3	55%	0.548	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-63.7	129	175.2	-177.8	-178.3	-178.2	-172.6	0	109.1	L416 S418	L416-K420 HydrophobicContact CD1-CB 4.21Å; L416-K420 HydrophobicContact CD1-CD 4.47Å; L416-K420 HydrophobicContact CD1-CG 4.44Å; L416-K420 HydrophobicContact CD2-CB 4.44Å; L416-K420 HydrophobicContact CD2-CD 4.25Å; S418-K420 PolarHBondContact O-N 3.34Å; S418-K420 VanDerWaalsContact OG-CB 3.23Å; S418-K420 WeakPolarHBondContact OG-CB 3.34Å; S418-K420 PolarHBondContact OG-N 2.95Å
421	Q	71.6	Confident	57.7	Low	47 Å²	47	70 Å²	70	22%	0.22	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-66.9	130.9	171.7	-171.3	176.1	19.1	0	0	109.6	A354 C355 V356 G419	A354-Q421 WeakPolarHBondContact O-CG 3.45Å; C355-Q421 CarbonylContact O-C 3.12Å; C355-Q421 WeakPolarHBondContact O-CA 3.44Å; V356-Q421 PolarHBondContact O-NE2 2.89Å; G419-Q421 PolarHBondContact O-N 2.93Å
422	L	78.6	Confident	59.3	Low	17 Å²	17	64.2 Å²	64.2	9%	0.089	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-61.7	135.9	171.4	-67.3	174	0	0	0	109.3	L346 I350 C355 P357 L416 D426 I427 F430	L346-L422 HydrophobicContact CD2-CD1 4.33Å; I350-L422 HydrophobicContact CD1-CD1 3.44Å; I350-L422 VanDerWaalsContact CD1-CD1 3.44Å; I350-L422 HydrophobicContact CG1-CD1 4.23Å; C355-L422 PolarHBondContact O-N 2.86Å; P357-L422 WeakPolarHBondContact CD-O 3.12Å; L416-L422 HydrophobicContact CD1-CD2 3.53Å; L416-L422 HydrophobicContact CD1-CG 4.39Å; L422-D426 HydrophobicContact CB-CB 4.22Å; L422-D426 HydrophobicContact CD2-CB 3.95Å; L422-I427 HydrophobicContact CB-CD1 4.08Å; L422-I427 HydrophobicContact CB-CG1 4.41Å; L422-I427 HydrophobicContact CD1-CD1 3.79Å; L422-F430 HydrophobicContact CD1-CE2 4.13Å
423	S	77.9	Confident	60.9	Low	40 Å²	40	64.4 Å²	64.4	28%	0.28	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-74.5	162.6	170.2	68.5	0	0	0	0	110.4	L425 D426 I427	S423-L425 PolarHBondContact O-N 2.79Å; S423-L425 PolarHBondContact OG-N 2.99Å; S423-D426 WeakPolarHBondContact CB-OD2 3.44Å; S423-D426 PolarHBondContact N-OD2 3.29Å; S423-D426 VanDerWaalsContact N-OD2 3.12Å; S423-D426 WeakPolarHBondContact O-CB 3.09Å; S423-D426 PolarHBondContact O-N 3.04Å; S423-D426 PolarHBondContact OG-N 2.69Å; S423-D426 VanDerWaalsContact OG-N 3.1Å; S423-D426 PolarHBondContact OG-OD2 3.28Å; S423-I427 PolarHBondContact O-N 3.22Å
424	W	77.5	Confident	62.4	Low	9 Å²	9	65 Å²	65	3%	0.034	36%	0.355	C	S	.	.	H	α-helix	trans	-58.1	-32.8	170.9	-78.7	106	0	0	0	112.5	R213 P215 W225 C227 P357 S358 L360 I427 N428	R213-W424 PolarHBondContact O-NE1 3.1Å; P215-W424 HydrophobicContact CB-CD2 4Å; P215-W424 HydrophobicContact CB-CE3 4.38Å; P215-W424 HydrophobicContact CB-CG 4.47Å; P215-W424 HydrophobicContact CB-CH2 4.25Å; P215-W424 HydrophobicContact CB-CZ2 3.88Å; P215-W424 HydrophobicContact CB-CZ3 4.48Å; P215-W424 HydrophobicContact CG-CZ2 4.28Å; P215-W424 VanDerWaalsContact N-NE1 3.16Å; W225-W424 HydrophobicContact CE3-CD2 4.46Å; W225-W424 AromaticContact CE3-CE3 3.57Å; W225-W424 HydrophobicContact CE3-CE3 3.57Å; W225-W424 HydrophobicContact CE3-CZ3 4.02Å; W225-W424 HydrophobicContact CZ3-CB 3.85Å; W225-W424 HydrophobicContact CZ3-CD2 4.28Å; W225-W424 AromaticContact CZ3-CE3 3.65Å; W225-W424 HydrophobicContact CZ3-CE3 3.65Å; W225-W424 HydrophobicContact CZ3-CG 4.42Å; W225-W424 WeakPolarHBondContact CZ3-O 3.32Å; C227-W424 HydrophobicContact CB-CH2 3.81Å; C227-W424 HydrophobicContact CB-CZ2 4.43Å; P357-W424 HydrophobicContact CB-CD2 3.78Å; P357-W424 VanDerWaalsContact CB-CE2 3.42Å; P357-W424 HydrophobicContact CB-CE3 4.42Å; P357-W424 HydrophobicContact CB-CG 4.09Å; P357-W424 HydrophobicContact CB-CZ2 3.86Å; P357-W424 HydrophobicContact CG-CD2 3.75Å; P357-W424 HydrophobicContact CG-CE3 3.95Å; P357-W424 HydrophobicContact CG-CG 4.23Å; P357-W424 HydrophobicContact CG-CH2 4.44Å; P357-W424 HydrophobicContact CG-CZ2 4.23Å; P357-W424 HydrophobicContact CG-CZ3 4.3Å; S358-W424 WeakPolarHBondContact O-CZ2 3.45Å; L360-W424 HydrophobicContact CB-CH2 4.43Å; L360-W424 HydrophobicContact CD1-CH2 4.23Å; L360-W424 HydrophobicContact CD1-CZ3 3.69Å; W424-I427 PolarHBondContact O-N 3.15Å; W424-N428 PolarHBondContact O-N 3.49Å
425	L	77.9	Confident	63.6	Low	114 Å²	114	62.2 Å²	62.2	60%	0.597	35%	0.349	S	S	*	.	H	α-helix	trans	-66.1	-37	172.9	-64.6	168.7	0	0	0	112.5	S423 I427 N428	S423-L425 PolarHBondContact O-N 2.79Å; S423-L425 PolarHBondContact OG-N 2.99Å; L425-I427 VanDerWaalsContact C-N 3.35Å; L425-N428 WeakPolarHBondContact O-CB 3.32Å; L425-N428 PolarHBondContact O-N 3.38Å
426	D	79.2	Confident	64.8	Low	37 Å²	37	59 Å²	59	20%	0.198	33%	0.329	C	S	.	.	H	α-helix	trans	-69.9	-35.6	174.4	-62.1	-51.8	0	0	0	111.5	L422 S423 N428 K429 F430	L422-D426 HydrophobicContact CB-CB 4.22Å; L422-D426 HydrophobicContact CD2-CB 3.95Å; S423-D426 WeakPolarHBondContact CB-OD2 3.44Å; S423-D426 PolarHBondContact N-OD2 3.29Å; S423-D426 VanDerWaalsContact N-OD2 3.12Å; S423-D426 WeakPolarHBondContact O-CB 3.09Å; S423-D426 PolarHBondContact O-N 3.04Å; S423-D426 PolarHBondContact OG-N 2.69Å; S423-D426 VanDerWaalsContact OG-N 3.1Å; S423-D426 PolarHBondContact OG-OD2 3.28Å; D426-N428 VanDerWaalsContact C-N 3.29Å; D426-N428 PolarHBondContact O-N 3.49Å; D426-K429 WeakPolarHBondContact O-CB 3.45Å; D426-K429 PolarHBondContact O-N 3.29Å; D426-K429 IonicContact OD1-NZ 3.18Å; D426-K429 PolarHBondContact OD1-NZ 3.12Å; D426-F430 VanDerWaalsContact O-CD2 3.23Å; D426-F430 WeakPolarHBondContact O-CD2 3.44Å
427	I	77.5	Confident	66.3	Low	4 Å²	4	56.7 Å²	56.7	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-63.1	-36.6	172.9	-64.4	-58.6	0	0	0	111.5	L346 V356 P357 L360 L422 S423 W424 L425 K429 F430 Y431	L346-I427 HydrophobicContact CD2-CD1 4.01Å; V356-I427 HydrophobicContact CG1-CD1 4.3Å; P357-I427 HydrophobicContact CG-CD1 4.44Å; P357-I427 HydrophobicContact CG-CG1 3.61Å; L360-I427 HydrophobicContact CD1-CG2 3.88Å; L360-I427 HydrophobicContact CD2-CD1 4.39Å; L360-I427 HydrophobicContact CD2-CG2 4.46Å; L422-I427 HydrophobicContact CB-CD1 4.08Å; L422-I427 HydrophobicContact CB-CG1 4.41Å; L422-I427 HydrophobicContact CD1-CD1 3.79Å; S423-I427 PolarHBondContact O-N 3.22Å; W424-I427 PolarHBondContact O-N 3.15Å; L425-I427 VanDerWaalsContact C-N 3.35Å; I427-K429 PolarHBondContact O-N 3.44Å; I427-F430 CarbonylContact O-C 3.48Å; I427-F430 WeakPolarHBondContact O-CA 3.34Å; I427-F430 WeakPolarHBondContact O-CB 3.5Å; I427-F430 PolarHBondContact O-N 3.11Å; I427-Y431 HydrophobicContact CG2-CD2 3.87Å; I427-Y431 HydrophobicContact CG2-CE2 4.36Å; I427-Y431 PolarHBondContact O-N 3.4Å; I427-Y431 VanDerWaalsContact O-N 3.13Å
428	N	73.1	Confident	67.9	Low	46 Å²	46	53.8 Å²	53.8	25%	0.246	30%	0.3	C	S	.	.	H	α-helix	trans	-58.1	-34	176.5	-166.1	8.9	0	0	0	112.3	W225 W424 L425 D426 F430 Y431 H434	W225-N428 HydrophobicContact CH2-CB 3.94Å; W225-N428 HydrophobicContact CZ2-CB 4.22Å; W424-N428 PolarHBondContact O-N 3.49Å; L425-N428 WeakPolarHBondContact O-CB 3.32Å; L425-N428 PolarHBondContact O-N 3.38Å; D426-N428 VanDerWaalsContact C-N 3.29Å; D426-N428 PolarHBondContact O-N 3.49Å; N428-F430 PolarHBondContact O-N 3.49Å; N428-Y431 CarbonylContact O-C 3.55Å; N428-Y431 PolarHBondContact O-N 3.49Å; N428-Y431 PolarHBondContact OD1-O 3.23Å; N428-H434 PolarHBondContact OD1-CE1 2.71Å; N428-H434 VanDerWaalsContact OD1-CE1 3.29Å
429	K	73.3	Confident	69	Low	139 Å²	139	50.3 Å²	50.3	60%	0.604	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.6	173.6	-58.8	170.6	-174.8	157.6	0	113	D426 I427	D426-K429 WeakPolarHBondContact O-CB 3.45Å; D426-K429 PolarHBondContact O-N 3.29Å; D426-K429 IonicContact OD1-NZ 3.18Å; D426-K429 PolarHBondContact OD1-NZ 3.12Å; I427-K429 PolarHBondContact O-N 3.44Å
430	F	69.5	Low	69.8	Low	31 Å²	31	52.8 Å²	52.8	14%	0.136	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-16.5	173.6	-60.2	-78.3	0	0	0	112.9	S342 N345 L346 L422 D426 I427 N428	S342-F430 WeakPolarHBondContact CB-O 3.46Å; S342-F430 PolarHBondContact OG-O 3.01Å; N345-F430 HydrophobicContact CB-CD1 3.75Å; N345-F430 HydrophobicContact CB-CE1 4Å; L346-F430 HydrophobicContact CD2-CD2 4.28Å; L346-F430 HydrophobicContact CD2-CG 4.45Å; L422-F430 HydrophobicContact CD1-CE2 4.13Å; D426-F430 VanDerWaalsContact O-CD2 3.23Å; D426-F430 WeakPolarHBondContact O-CD2 3.44Å; I427-F430 CarbonylContact O-C 3.48Å; I427-F430 WeakPolarHBondContact O-CA 3.34Å; I427-F430 WeakPolarHBondContact O-CB 3.5Å; I427-F430 PolarHBondContact O-N 3.11Å; N428-F430 PolarHBondContact O-N 3.49Å
431	Y	67.1	Low	70	Confident	19 Å²	19	47.4 Å²	47.4	8%	0.075	25%	0.247	C	C	.	.			trans	-140.7	70.1	-175.8	-68.9	-87	0	0	0	112.4	S342 L346 I362 I427 N428 N433 N436	S342-Y431 VanDerWaalsContact CB-OH 3.3Å; S342-Y431 WeakPolarHBondContact CB-OH 3.35Å; S342-Y431 WeakPolarHBondContact OG-CD1 3.34Å; S342-Y431 WeakPolarHBondContact OG-CE1 3.36Å; L346-Y431 HydrophobicContact CD1-CE2 3.98Å; I362-Y431 WeakPolarHBondContact CD1-OH 3.49Å; I362-Y431 WeakPolarHBondContact CG1-OH 3.23Å; I362-Y431 VanDerWaalsContact CG2-OH 3.3Å; I362-Y431 WeakPolarHBondContact CG2-OH 3.37Å; I427-Y431 HydrophobicContact CG2-CD2 3.87Å; I427-Y431 HydrophobicContact CG2-CE2 4.36Å; I427-Y431 PolarHBondContact O-N 3.4Å; I427-Y431 VanDerWaalsContact O-N 3.13Å; N428-Y431 CarbonylContact O-C 3.55Å; N428-Y431 PolarHBondContact O-N 3.49Å; N428-Y431 PolarHBondContact OD1-O 3.23Å; Y431-N433 VanDerWaalsContact C-N 3.33Å; Y431-N433 PolarHBondContact O-N 2.91Å; Y431-N436 WeakPolarHBondContact CE1-ND2 3.35Å
432	P	57.4	Low	70.1	Confident	86 Å²	86	45.3 Å²	45.3	56%	0.558	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-32.2	-173	25	-33.5	0	0	0	113.7
433	N	59.6	Low	69.6	Low	90 Å²	90	45 Å²	45	48%	0.481	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-1.1	-168.2	-67.3	-15.9	0	0	0	114.5	E338 Y431 T435	E338-N433 PolarHBondContact OE1-ND2 2.73Å; E338-N433 PolarHBondContact OE2-ND2 2.94Å; Y431-N433 VanDerWaalsContact C-N 3.33Å; Y431-N433 PolarHBondContact O-N 2.91Å; N433-T435 HydrophobicContact CB-CG2 3.78Å; N433-T435 WeakPolarHBondContact O-CG2 3.5Å; N433-T435 PolarHBondContact O-N 2.98Å
434	H	58.2	Low	68.7	Low	70 Å²	70	45 Å²	45	32%	0.324	24%	0.235	S	C	.	.			trans	53.7	14.9	-178.9	-50	-31.1	0	0	0	114.9	W225 N428 N436	W225-H434 AromaticContact CD1-CD2 3.89Å; W225-H434 AromaticContact CD1-CE1 3.83Å; W225-H434 AromaticContact CD1-CG 3.39Å; W225-H434 AromaticContact CD1-ND1 3.36Å; W225-H434 AromaticContact CE2-CE1 3.37Å; W225-H434 AromaticContact CE2-ND1 3.55Å; W225-H434 AromaticContact CE2-NE2 3.95Å; W225-H434 AromaticContact CZ2-CE1 3.54Å; W225-H434 AromaticContact NE1-CD2 3.39Å; W225-H434 PolarHBondContact NE1-CD2 3.01Å; W225-H434 AromaticContact NE1-CE1 2.89Å; W225-H434 PolarHBondContact NE1-CE1 3.37Å; W225-H434 AromaticContact NE1-CG 3.21Å; W225-H434 AromaticContact NE1-ND1 2.89Å; W225-H434 PolarHBondContact NE1-ND1 2.79Å; W225-H434 AromaticContact NE1-NE2 3.16Å; W225-H434 PolarHBondContact NE1-NE2 3.12Å; W225-H434 VanDerWaalsContact NE1-NE2 3.16Å; N428-H434 PolarHBondContact OD1-CE1 2.71Å; N428-H434 VanDerWaalsContact OD1-CE1 3.29Å; H434-N436 PolarHBondContact O-N 3.15Å
435	T	53.6	Low	67.7	Low	74 Å²	74	50.8 Å²	50.8	45%	0.454	26%	0.261	S	S	.	.			trans	-72.7	8.2	-172.5	42.1	0	0	0	0	114.2	E338 N433 S437	E338-T435 PolarHBondContact OE2-OG1 3.42Å; N433-T435 HydrophobicContact CB-CG2 3.78Å; N433-T435 WeakPolarHBondContact O-CG2 3.5Å; N433-T435 PolarHBondContact O-N 2.98Å; T435-S437 PolarHBondContact O-N 3.34Å
436	N	58.5	Low	66.1	Low	14 Å²	14	48.9 Å²	48.9	8%	0.075	25%	0.25	C	S	.	.			trans	-74.9	75.2	-177.5	-126.6	-17.1	0	0	0	109.6	S226 N339 V361 S363 Y431 H434 P438	S226-N436 WeakPolarHBondContact CB-O 3.22Å; S226-N436 PolarHBondContact OG-O 3Å; N339-N436 VanDerWaalsContact CG-OD1 3.27Å; N339-N436 PolarHBondContact ND2-OD1 3.29Å; N339-N436 PolarHBondContact OD1-OD1 2.71Å; N339-N436 VanDerWaalsContact OD1-OD1 3.1Å; V361-N436 PolarHBondContact O-ND2 3.43Å; S363-N436 PolarHBondContact N-OD1 3.24Å; Y431-N436 WeakPolarHBondContact CE1-ND2 3.35Å; H434-N436 PolarHBondContact O-N 3.15Å; N436-P438 WeakPolarHBondContact O-CD 3.45Å
437	S	70	Confident	64.3	Low	19 Å²	19	54.5 Å²	54.5	13%	0.133	28%	0.28	C	S	.	.			trans	-90.3	99.8	179.5	60.7	0	0	0	0	109.9	S257 T435 D439	S257-S437 WeakPolarHBondContact OG-CA 3.31Å; S257-S437 WeakPolarHBondContact OG-CB 3.16Å; T435-S437 PolarHBondContact O-N 3.34Å; S437-D439 PolarHBondContact O-N 3.17Å
438	P	74.3	Confident	62.7	Low	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-19.9	167.3	30.7	-36.3	0	0	0	110.7	S226 W269 S363 N436 Q440 L441 L442 V458	S226-P438 WeakPolarHBondContact OG-CD 3.35Å; W269-P438 HydrophobicContact CH2-CG 4.27Å; W269-P438 HydrophobicContact CZ3-CB 4.41Å; W269-P438 HydrophobicContact CZ3-CG 3.9Å; S363-P438 WeakPolarHBondContact OG-CA 3.43Å; N436-P438 WeakPolarHBondContact O-CD 3.45Å; P438-Q440 VanDerWaalsContact C-N 3.33Å; P438-Q440 PolarHBondContact O-N 3.09Å; P438-L441 CarbonylContact O-C 3.24Å; P438-L441 WeakPolarHBondContact O-CA 3.45Å; P438-L441 PolarHBondContact O-N 3.39Å; P438-L442 HydrophobicContact CB-CD1 4Å; P438-L442 HydrophobicContact CB-CG 4.36Å; P438-L442 WeakPolarHBondContact O-CB 3.49Å; P438-L442 WeakPolarHBondContact O-CG 3.3Å; P438-L442 PolarHBondContact O-N 2.85Å; P438-V458 HydrophobicContact CB-CG1 4.34Å; P438-V458 HydrophobicContact CB-CG2 4.29Å
439	D	73.5	Confident	61.4	Low	17 Å²	17	65.8 Å²	65.8	9%	0.091	33%	0.334	C	S	.	.	H	α-helix	trans	-50.7	-46.3	179	-57.1	22.7	0	0	0	112.7	G256 S257 H267 W269 S437 L441 S443	G256-D439 WeakPolarHBondContact CA-OD1 3.48Å; S257-D439 PolarHBondContact N-OD1 3.35Å; S257-D439 PolarHBondContact OG-OD2 2.89Å; H267-D439 IonicContact CD2-OD2 2.67Å; H267-D439 PolarHBondContact CD2-OD2 2.87Å; W269-D439 HydrophobicContact CH2-CB 4.38Å; W269-D439 WeakPolarHBondContact CH2-OD1 3.48Å; S437-D439 PolarHBondContact O-N 3.17Å; D439-L441 VanDerWaalsContact C-N 3.27Å; D439-L441 PolarHBondContact O-N 3.28Å; D439-S443 WeakPolarHBondContact O-CA 3.49Å; D439-S443 WeakPolarHBondContact O-CB 3.44Å; D439-S443 PolarHBondContact O-N 3.29Å
440	Q	70.7	Confident	60.3	Low	110 Å²	110	62 Å²	62	51%	0.514	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-40.5	177.9	-68.7	-176.5	-1.3	0	0	111.4	Q365 P438 S443	Q365-Q440 VanDerWaalsContact NE2-OE1 3.13Å; P438-Q440 VanDerWaalsContact C-N 3.33Å; P438-Q440 PolarHBondContact O-N 3.09Å; Q440-S443 PolarHBondContact O-OG 3.29Å
441	L	71.1	Confident	59.6	Low	12 Å²	12	67 Å²	67	6%	0.063	34%	0.344	C	S	.	.	H	α-helix	trans	-82.7	-32.4	-175.7	-61.8	-174.9	0	0	0	113.9	Q365 P438 D439 D456 V458	Q365-L441 HydrophobicContact CB-CD2 4.49Å; Q365-L441 HydrophobicContact CG-CD1 4.32Å; Q365-L441 HydrophobicContact CG-CD2 3.81Å; Q365-L441 HydrophobicContact CG-CG 4.42Å; P438-L441 CarbonylContact O-C 3.24Å; P438-L441 WeakPolarHBondContact O-CA 3.45Å; P438-L441 PolarHBondContact O-N 3.39Å; D439-L441 VanDerWaalsContact C-N 3.27Å; D439-L441 PolarHBondContact O-N 3.28Å; L441-D456 HydrophobicContact CD1-CB 4.13Å; L441-D456 HydrophobicContact CD2-CB 3.46Å; L441-D456 VanDerWaalsContact CD2-CB 3.46Å; L441-D456 HydrophobicContact CG-CB 4.25Å; L441-V458 HydrophobicContact CB-CG2 4.13Å; L441-V458 HydrophobicContact CD1-CG2 3.89Å
442	L	74.6	Confident	59.1	Low	4 Å²	4	73.4 Å²	73.4	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-97.7	4.3	-178.5	-60.6	-176.2	0	0	0	112.8	L254 W269 F310 P438 T444 V458 I480	L254-L442 HydrophobicContact CD2-CD1 3.58Å; W269-L442 HydrophobicContact CD2-CD1 3.95Å; W269-L442 HydrophobicContact CE3-CD1 3.97Å; W269-L442 HydrophobicContact CH2-CB 4.08Å; W269-L442 HydrophobicContact CH2-CD1 4.13Å; W269-L442 HydrophobicContact CZ2-CB 3.52Å; W269-L442 HydrophobicContact CZ2-CD1 4.12Å; W269-L442 HydrophobicContact CZ2-CG 4.45Å; W269-L442 HydrophobicContact CZ3-CD1 4.07Å; F310-L442 HydrophobicContact CD1-CD2 3.63Å; F310-L442 HydrophobicContact CE1-CB 4.13Å; F310-L442 HydrophobicContact CE1-CD2 3.58Å; F310-L442 HydrophobicContact CE1-CG 4.46Å; F310-L442 HydrophobicContact CG-CD2 4.28Å; F310-L442 HydrophobicContact CZ-CB 4.08Å; F310-L442 HydrophobicContact CZ-CD2 4.18Å; F310-L442 WeakPolarHBondContact CZ-O 3.38Å; P438-L442 HydrophobicContact CB-CD1 4Å; P438-L442 HydrophobicContact CB-CG 4.36Å; P438-L442 WeakPolarHBondContact O-CB 3.49Å; P438-L442 WeakPolarHBondContact O-CG 3.3Å; P438-L442 PolarHBondContact O-N 2.85Å; L442-T444 PolarHBondContact O-N 3.33Å; L442-V458 HydrophobicContact CD2-CG2 4.32Å; L442-V458 HydrophobicContact CG-CG2 4.33Å; L442-I480 HydrophobicContact CD2-CG2 3.9Å
443	S	66.5	Low	59.3	Low	10 Å²	10	73.9 Å²	73.9	7%	0.07	37%	0.373	C	S	.	.			trans	-64.7	128.7	177.6	60.4	0	0	0	0	112.2	D439 Q440 I446	D439-S443 WeakPolarHBondContact O-CA 3.49Å; D439-S443 WeakPolarHBondContact O-CB 3.44Å; D439-S443 PolarHBondContact O-N 3.29Å; Q440-S443 PolarHBondContact O-OG 3.29Å; S443-I446 VanDerWaalsContact CB-CG1 3.48Å; S443-I446 WeakPolarHBondContact OG-CB 3.32Å; S443-I446 WeakPolarHBondContact OG-CD1 3.46Å
444	T	59.2	Low	60.1	Low	40 Å²	40	70.7 Å²	70.7	25%	0.245	36%	0.358	C	S	.	.	S	Bend	trans	-91.5	-36	172.8	53.9	0	0	0	0	112.3	V306 Y309 F310 L442	V306-T444 HydrophobicContact CB-CG2 4.15Å; V306-T444 HydrophobicContact CG1-CG2 3.58Å; Y309-T444 HydrophobicContact CD1-CG2 4.21Å; Y309-T444 HydrophobicContact CG-CG2 4.48Å; F310-T444 HydrophobicContact CZ-CG2 4.24Å; L442-T444 PolarHBondContact O-N 3.33Å
445	K	56.9	Low	61.2	Low	130 Å²	130	68.3 Å²	68.3	57%	0.565	35%	0.347	S	S	*	.	S	Bend	trans	-80.7	-23.2	-177.5	-65.8	-176.4	-178.5	179.9	0	113.2	E302 D304 N447	E302-K445 IonicContact OE2-NZ 2.57Å; E302-K445 PolarHBondContact OE2-NZ 2.78Å; D304-K445 WeakPolarHBondContact OD2-CE 3.05Å; D304-K445 IonicContact OD2-NZ 3.75Å; K445-N447 PolarHBondContact O-N 3.06Å
446	I	44.3	Very low	62.7	Low	75 Å²	75	66.3 Å²	66.3	39%	0.385	33%	0.334	S	S	.	.			trans	-81.4	101.2	-175.2	-46.9	172.9	0	0	0	108.1	S443 L448	S443-I446 VanDerWaalsContact CB-CG1 3.48Å; S443-I446 WeakPolarHBondContact OG-CB 3.32Å; S443-I446 WeakPolarHBondContact OG-CD1 3.46Å; I446-L448 HydrophobicContact CB-CD1 4.34Å; I446-L448 HydrophobicContact CG2-CB 3.74Å; I446-L448 HydrophobicContact CG2-CD1 3.29Å; I446-L448 HydrophobicContact CG2-CG 3.72Å; I446-L448 PolarHBondContact O-N 3.17Å
447	N	42.2	Very low	64.3	Low	154 Å²	154	65.6 Å²	65.6	82%	0.824	33%	0.33	S	S	*	.			trans	-64.9	37.7	161.8	-111.2	-3.4	0	0	0	110.7	K445 E449	K445-N447 PolarHBondContact O-N 3.06Å; N447-E449 PolarHBondContact O-N 2.6Å; N447-E449 VanDerWaalsContact O-N 3.16Å
448	L	44.2	Very low	65.3	Low	103 Å²	103	64.8 Å²	64.8	54%	0.539	32%	0.324	S	S	.	.			trans	-57.4	128.9	170.3	-115.6	138.9	0	0	0	104.6	I446 T450	I446-L448 HydrophobicContact CB-CD1 4.34Å; I446-L448 HydrophobicContact CG2-CB 3.74Å; I446-L448 HydrophobicContact CG2-CD1 3.29Å; I446-L448 HydrophobicContact CG2-CG 3.72Å; I446-L448 PolarHBondContact O-N 3.17Å; L448-T450 HydrophobicContact CB-CG2 4.49Å; L448-T450 PolarHBondContact O-N 3.04Å
449	E	44.5	Very low	66.3	Low	185 Å²	185	64.8 Å²	64.8	86%	0.864	32%	0.324	S	S	*	.			trans	-55.8	65.7	163.6	-62.1	175.5	159.8	0	0	107.9	N447 K451	N447-E449 PolarHBondContact O-N 2.6Å; N447-E449 VanDerWaalsContact O-N 3.16Å; E449-K451 PolarHBondContact O-N 3.09Å
450	T	51.4	Low	67.2	Low	59 Å²	59	64 Å²	64	36%	0.362	32%	0.32	S	S	.	.			trans	-58	112.1	169.3	46.8	0	0	0	0	103.2	L448 E452	L448-T450 HydrophobicContact CB-CG2 4.49Å; L448-T450 PolarHBondContact O-N 3.04Å; T450-E452 PolarHBondContact O-N 3.13Å
451	K	54.9	Low	68.3	Low	135 Å²	135	58.8 Å²	58.8	59%	0.587	30%	0.295	S	S	*	.			trans	-42.3	122.3	177.8	-63.2	172.1	-171.2	162.6	0	105.3	D366 E449 N453 S454	D366-K451 IonicContact OD2-NZ 3.74Å; D366-K451 PolarHBondContact OD2-NZ 3.14Å; E449-K451 PolarHBondContact O-N 3.09Å; K451-N453 PolarHBondContact O-N 2.94Å; K451-S454 PolarHBondContact O-N 2.91Å
452	E	56.4	Low	69.4	Low	154 Å²	154	58.2 Å²	58.2	72%	0.72	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	2.2	-160.4	-67.5	-172.5	140.7	0	0	116.2	T450	T450-E452 PolarHBondContact O-N 3.13Å
453	N	61.7	Low	70.1	Confident	96 Å²	96	58.3 Å²	58.3	51%	0.513	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.2	16.7	176.7	-66	-63.8	0	0	0	114.8	K451	K451-N453 PolarHBondContact O-N 2.94Å
454	S	74.9	Confident	71.1	Confident	23 Å²	23	57.9 Å²	57.9	16%	0.161	29%	0.291	C	S	.	.			trans	-68.3	137.1	172.5	67.7	0	0	0	0	110.1	D366 K451 D456	D366-S454 WeakPolarHBondContact OD1-CB 3.42Å; K451-S454 PolarHBondContact O-N 2.91Å; S454-D456 PolarHBondContact OG-OD2 2.97Å
455	I	81.7	Confident	72.3	Confident	21 Å²	21	57.6 Å²	57.6	11%	0.108	29%	0.289	C	S	.	.			trans	-110.2	106.4	172.2	-61.2	174	0	0	0	106.3	C367 F370 V457 T499	C367-I455 WeakPolarHBondContact CA-O 3.49Å; C367-I455 HydrophobicContact CB-CB 4.25Å; C367-I455 HydrophobicContact CB-CG2 4.32Å; C367-I455 WeakPolarHBondContact CB-O 3.41Å; C367-I455 PolarHBondContact N-O 3.23Å; C367-I455 PolarHBondContact SG-O 3Å; F370-I455 HydrophobicContact CE1-CG2 4.39Å; F370-I455 HydrophobicContact CE2-CG2 3.79Å; F370-I455 HydrophobicContact CZ-CG2 3.56Å; I455-V457 HydrophobicContact CG2-CG2 4.36Å; I455-T499 HydrophobicContact CD1-CG2 4.33Å; I455-T499 HydrophobicContact CG1-CG2 4.21Å
456	D	86.2	Confident	73.6	Confident	31 Å²	31	52 Å²	52	17%	0.166	27%	0.267	C	S	.	.			trans	-100.8	138.9	179.7	-51.4	-40	0	0	0	109.8	L364 Q365 D366 L441 S454	L364-D456 WeakPolarHBondContact O-CA 3.46Å; Q365-D456 WeakPolarHBondContact CA-OD1 3.23Å; D366-D456 PolarHBondContact N-OD1 2.94Å; L441-D456 HydrophobicContact CD1-CB 4.13Å; L441-D456 HydrophobicContact CD2-CB 3.46Å; L441-D456 VanDerWaalsContact CD2-CB 3.46Å; L441-D456 HydrophobicContact CG-CB 4.25Å; S454-D456 PolarHBondContact OG-OD2 2.97Å
457	V	90.1	Very high	75.7	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.8	-174.1	-174.8	0	0	0	0	109.8	I328 L364 C367 F370 I455 L459 V479 L481	I328-V457 HydrophobicContact CD1-CG1 3.9Å; L364-V457 PolarHBondContact N-O 3.23Å; L364-V457 PolarHBondContact O-N 3.32Å; C367-V457 HydrophobicContact CB-CG2 4.31Å; C367-V457 VanDerWaalsContact SG-CG2 3.53Å; F370-V457 HydrophobicContact CE1-CG2 4.22Å; F370-V457 HydrophobicContact CZ-CG2 3.78Å; I455-V457 HydrophobicContact CG2-CG2 4.36Å; V457-L459 HydrophobicContact CG1-CD2 3.82Å; V457-L459 HydrophobicContact CG1-CG 4.14Å; V457-V479 HydrophobicContact CG1-CG1 3.68Å; V457-L481 HydrophobicContact CB-CD2 4.1Å; V457-L481 HydrophobicContact CG1-CD2 3.98Å; V457-L481 HydrophobicContact CG2-CD2 3.58Å
458	V	92.2	Very high	77.7	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.5	165.1	179.7	0	0	0	0	108	V361 I362 P438 L441 L442 V460 I480	V361-V458 HydrophobicContact CG1-CG1 3.67Å; I362-V458 WeakPolarHBondContact O-CA 3.25Å; P438-V458 HydrophobicContact CB-CG1 4.34Å; P438-V458 HydrophobicContact CB-CG2 4.29Å; L441-V458 HydrophobicContact CB-CG2 4.13Å; L441-V458 HydrophobicContact CD1-CG2 3.89Å; L442-V458 HydrophobicContact CD2-CG2 4.32Å; L442-V458 HydrophobicContact CG-CG2 4.33Å; V458-V460 HydrophobicContact CG1-CG2 4.09Å; V458-I480 HydrophobicContact CB-CB 4.17Å; V458-I480 PolarHBondContact N-O 3.31Å; V458-I480 PolarHBondContact O-N 2.87Å
459	L	94.2	Very high	79.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.5	174.4	-64.6	-179.6	0	0	0	109.3	I324 I328 W343 V361 I362 L364 V457 W477 D478 V479	I324-L459 HydrophobicContact CG2-CD1 4Å; I324-L459 HydrophobicContact CG2-CD2 4.05Å; I328-L459 HydrophobicContact CD1-CD1 4.21Å; I328-L459 HydrophobicContact CD1-CD2 3.69Å; I328-L459 HydrophobicContact CD1-CG 4.29Å; W343-L459 HydrophobicContact CD2-CD1 4.32Å; W343-L459 HydrophobicContact CE3-CD1 4.02Å; W343-L459 HydrophobicContact CH2-CD1 3.92Å; W343-L459 HydrophobicContact CZ2-CD1 4.21Å; W343-L459 HydrophobicContact CZ3-CD1 3.82Å; V361-L459 CarbonylContact C-O 3.6Å; V361-L459 VanDerWaalsContact CA-O 3.27Å; V361-L459 WeakPolarHBondContact CA-O 3.44Å; I362-L459 HydrophobicContact CB-CB 4.27Å; I362-L459 PolarHBondContact N-O 2.8Å; I362-L459 PolarHBondContact O-N 3.42Å; L364-L459 HydrophobicContact CD1-CD1 3.86Å; L364-L459 HydrophobicContact CD1-CG 4.44Å; V457-L459 HydrophobicContact CG1-CD2 3.82Å; V457-L459 HydrophobicContact CG1-CG 4.14Å; L459-W477 HydrophobicContact CB-CE3 3.98Å; L459-W477 HydrophobicContact CB-CZ3 4.19Å; L459-D478 WeakPolarHBondContact CA-O 3.36Å; L459-V479 HydrophobicContact CD2-CG2 3.77Å
460	V	94.3	Very high	81.3	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.6	177.4	-174.2	0	0	0	0	109	E228 L254 L360 V361 V458 N462 W477 D478 I480	E228-V460 HydrophobicContact CB-CG1 3.49Å; E228-V460 VanDerWaalsContact CB-CG1 3.49Å; E228-V460 HydrophobicContact CG-CG1 4.25Å; L254-V460 HydrophobicContact CD1-CG2 4.44Å; L360-V460 CarbonylContact O-C 3.57Å; L360-V460 WeakPolarHBondContact O-CA 3.44Å; V361-V460 HydrophobicContact CG2-CG1 4.26Å; V361-V460 HydrophobicContact CG2-CG2 4.15Å; V458-V460 HydrophobicContact CG1-CG2 4.09Å; V460-N462 PolarHBondContact O-N 3.38Å; V460-W477 CarbonylContact O-C 3.57Å; V460-W477 WeakPolarHBondContact O-CA 3.3Å; V460-D478 HydrophobicContact CB-CB 4.31Å; V460-D478 PolarHBondContact N-O 3.3Å; V460-D478 PolarHBondContact O-N 3.26Å; V460-I480 HydrophobicContact CG2-CD1 3.84Å
461	Q	93.4	Very high	83	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	122.1	171.2	-165.7	-85.4	19.6	0	0	108.1	A353 G359 L360 S463 V475 W477	A353-Q461 PolarHBondContact O-NE2 2.91Å; G359-Q461 WeakPolarHBondContact CA-O 3.29Å; G359-Q461 PolarHBondContact N-O 3.27Å; L360-Q461 HydrophobicContact CB-CB 4.32Å; L360-Q461 PolarHBondContact O-N 3.08Å; Q461-S463 PolarHBondContact NE2-OG 3.21Å; Q461-S463 PolarHBondContact O-N 2.81Å; Q461-S463 VanDerWaalsContact OE1-CB 3.26Å; Q461-S463 PolarHBondContact OE1-OG 3.01Å; Q461-V475 HydrophobicContact CG-CG1 4.41Å; Q461-W477 HydrophobicContact CB-CE3 4.27Å; Q461-W477 HydrophobicContact CB-CH2 4.42Å; Q461-W477 HydrophobicContact CB-CZ3 4.05Å
462	N	93.4	Very high	84.5	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.159	C	C	.	.			trans	-95	8.3	-161	65	12.2	0	0	0	115.8	R252 R314 L315 V460 G476 W477 D478	R252-N462 PolarHBondContact NH1-O 3.32Å; R252-N462 PolarHBondContact NH2-O 3.44Å; R252-N462 VanDerWaalsContact NH2-O 3.16Å; R314-N462 WeakPolarHBondContact CG-ND2 3.12Å; L315-N462 PolarHBondContact O-ND2 2.78Å; V460-N462 PolarHBondContact O-N 3.38Å; N462-G476 VanDerWaalsContact CG-C 3.45Å; N462-G476 PolarHBondContact N-O 3.24Å; N462-G476 PolarHBondContact OD1-N 3.49Å; N462-G476 PolarHBondContact OD1-O 3.05Å; N462-G476 VanDerWaalsContact OD1-O 3.11Å; N462-W477 PolarHBondContact ND2-N 2.71Å; N462-W477 PolarHBondContact ND2-O 2.92Å; N462-D478 HydrophobicContact CB-CB 4.26Å; N462-D478 VanDerWaalsContact CB-CG 3.44Å; N462-D478 WeakPolarHBondContact CB-OD1 3.25Å; N462-D478 PolarHBondContact ND2-OD1 3.33Å
463	S	89.1	Confident	86	Confident	5 Å²	5	25.3 Å²	25.3	4%	0.035	14%	0.136	C	C	.	.			trans	-67	145.9	-177.8	67.8	0	0	0	0	112.5	S358 Q461	S358-S463 WeakPolarHBondContact CA-OG 3.38Å; S358-S463 WeakPolarHBondContact CB-OG 3.28Å; S358-S463 PolarHBondContact OG-OG 3.17Å; Q461-S463 PolarHBondContact NE2-OG 3.21Å; Q461-S463 PolarHBondContact O-N 2.81Å; Q461-S463 VanDerWaalsContact OE1-CB 3.26Å; Q461-S463 PolarHBondContact OE1-OG 3.01Å
464	T	88.8	Confident	87.3	Confident	2 Å²	2	20.8 Å²	20.8	1%	0.012	11%	0.112	C	C	.	.			trans	-101.7	159.7	162.3	62	0	0	0	0	109.1	T230 S466 L467 I468 G531 F534	T230-T464 HydrophobicContact CG2-CG2 3.92Å; T464-S466 PolarHBondContact O-N 2.81Å; T464-S466 PolarHBondContact OG1-OG 2.96Å; T464-S466 VanDerWaalsContact OG1-OG 3.07Å; T464-L467 PolarHBondContact O-N 3.43Å; T464-L467 WeakPolarHBondContact OG1-CB 3.21Å; T464-L467 PolarHBondContact OG1-N 3.16Å; T464-I468 WeakPolarHBondContact O-CG2 3.19Å; T464-I468 PolarHBondContact O-N 2.92Å; T464-G531 PolarHBondContact OG1-O 3.37Å; T464-F534 HydrophobicContact CG2-CB 4.31Å; T464-F534 HydrophobicContact CG2-CD1 4.38Å; T464-F534 HydrophobicContact CG2-CD2 4.47Å; T464-F534 HydrophobicContact CG2-CG 4.14Å
465	P	83.6	Confident	88.1	Confident	34 Å²	34	19.8 Å²	19.8	22%	0.221	11%	0.105	C	C	.	.	H	α-helix	trans	-54.1	-38.5	174.8	-27.1	35.1	0	0	0	113.2	D207 T230 I468 R469	D207-P465 HydrophobicContact CB-CG 4.19Å; D207-P465 WeakPolarHBondContact O-CG 3.41Å; T230-P465 WeakPolarHBondContact OG1-CD 3.42Å; P465-I468 WeakPolarHBondContact O-CG2 3.34Å; P465-R469 WeakPolarHBondContact O-CB 3.49Å; P465-R469 PolarHBondContact O-N 3.24Å
466	S	83.8	Confident	88.7	Confident	12 Å²	12	18.8 Å²	18.8	8%	0.084	10%	0.1	C	C	.	.	H	α-helix	trans	-67.9	-41.4	174.8	37.6	0	0	0	0	112.9	T464 S470 G531	T464-S466 PolarHBondContact O-N 2.81Å; T464-S466 PolarHBondContact OG1-OG 2.96Å; T464-S466 VanDerWaalsContact OG1-OG 3.07Å; S466-S470 WeakPolarHBondContact O-CB 3.3Å; S466-S470 PolarHBondContact O-N 2.82Å; S466-S470 PolarHBondContact O-OG 3.5Å; S466-G531 PolarHBondContact OG-O 3.08Å
467	L	87.9	Confident	89.2	Confident	2 Å²	2	17.3 Å²	17.3	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-70.2	-48	-179.1	-172.3	70.3	0	0	0	112.1	T464 R469 S470 S471 T474 V475 W523 T528 G531	T464-L467 PolarHBondContact O-N 3.43Å; T464-L467 WeakPolarHBondContact OG1-CB 3.21Å; T464-L467 PolarHBondContact OG1-N 3.16Å; L467-R469 PolarHBondContact O-N 2.68Å; L467-S470 PolarHBondContact O-N 2.61Å; L467-S470 PolarHBondContact O-OG 3.19Å; L467-S471 WeakPolarHBondContact CD1-OG 3.45Å; L467-S471 CarbonylContact O-C 3.53Å; L467-S471 PolarHBondContact O-N 3.34Å; L467-S471 PolarHBondContact O-OG 2.81Å; L467-T474 WeakPolarHBondContact CD1-OG1 3.25Å; L467-V475 HydrophobicContact CD2-CG2 4.18Å; L467-V475 HydrophobicContact CG-CG2 4.29Å; L467-W523 HydrophobicContact CD1-CH2 4.38Å; L467-W523 HydrophobicContact CD1-CZ2 3.86Å; L467-W523 HydrophobicContact CD2-CH2 4.11Å; L467-W523 HydrophobicContact CD2-CZ2 3.91Å; L467-T528 HydrophobicContact CD1-CG2 3.69Å; L467-G531 PolarHBondContact N-O 3.1Å
468	I	85.7	Confident	89.5	Confident	26 Å²	26	17.3 Å²	17.3	13%	0.133	9%	0.092	C	C	.	.	H	α-helix	trans	-63.4	-31.8	-178.4	-167.5	68.4	0	0	0	111.9	A354 T464 P465 P472 V475	A354-I468 HydrophobicContact CB-CD1 4.1Å; T464-I468 WeakPolarHBondContact O-CG2 3.19Å; T464-I468 PolarHBondContact O-N 2.92Å; P465-I468 WeakPolarHBondContact O-CG2 3.34Å; I468-P472 HydrophobicContact CD1-CB 3.98Å; I468-P472 WeakPolarHBondContact O-CB 3.47Å; I468-P472 WeakPolarHBondContact O-CD 3.2Å; I468-V475 HydrophobicContact CD1-CG2 3.8Å
469	R	80.4	Confident	89.7	Confident	123 Å²	123	17.2 Å²	17.2	46%	0.464	9%	0.091	S	C	.	.	H	α-helix	trans	-73.1	-45.4	177	-175.1	-165.1	-73.1	165	-7.9	112.3	H209 P465 L467 I788	H209-R469 PolarHBondContact CD2-NH2 3.05Å; H209-R469 PolarHBondContact NE2-NH2 3.4Å; P465-R469 WeakPolarHBondContact O-CB 3.49Å; P465-R469 PolarHBondContact O-N 3.24Å; L467-R469 PolarHBondContact O-N 2.68Å; R469-I788 PolarHBondContact NH1-O 3.17Å
470	S	82.6	Confident	89.7	Confident	50 Å²	50	17.3 Å²	17.3	35%	0.35	9%	0.092	S	C	.	.	H	α-helix	trans	-85.8	-36.5	-170.4	56.2	0	0	0	0	113.3	S466 L467 T528 G531	S466-S470 WeakPolarHBondContact O-CB 3.3Å; S466-S470 PolarHBondContact O-N 2.82Å; S466-S470 PolarHBondContact O-OG 3.5Å; L467-S470 PolarHBondContact O-N 2.61Å; L467-S470 PolarHBondContact O-OG 3.19Å; S470-T528 PolarHBondContact OG-O 2.89Å; S470-G531 VanDerWaalsContact OG-CA 3.24Å; S470-G531 WeakPolarHBondContact OG-CA 3.41Å
471	S	87.7	Confident	89.5	Confident	2 Å²	2	17.5 Å²	17.5	1%	0.014	9%	0.092	C	C	.	.			trans	-153.5	61.6	-169.4	48.3	0	0	0	0	111.8	L467 E473 T474 T528	L467-S471 WeakPolarHBondContact CD1-OG 3.45Å; L467-S471 CarbonylContact O-C 3.53Å; L467-S471 PolarHBondContact O-N 3.34Å; L467-S471 PolarHBondContact O-OG 2.81Å; S471-E473 WeakPolarHBondContact CA-OE2 3.3Å; S471-E473 PolarHBondContact O-N 3.28Å; S471-E473 VanDerWaalsContact O-N 3.16Å; S471-T474 PolarHBondContact O-N 2.99Å; S471-T474 PolarHBondContact O-OG1 3.07Å; S471-T528 VanDerWaalsContact OG-CB 3.32Å; S471-T528 WeakPolarHBondContact OG-CB 3.46Å; S471-T528 WeakPolarHBondContact OG-CG2 3.25Å
472	P	87	Confident	88.9	Confident	52 Å²	52	21.1 Å²	21.1	34%	0.338	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-57.9	-28.2	-178.5	24.3	-33.9	0	0	0	113.3	A354 I468 T474 V475	A354-P472 HydrophobicContact CB-CB 4.44Å; I468-P472 HydrophobicContact CD1-CB 3.98Å; I468-P472 WeakPolarHBondContact O-CB 3.47Å; I468-P472 WeakPolarHBondContact O-CD 3.2Å; P472-T474 PolarHBondContact O-N 3.48Å; P472-T474 VanDerWaalsContact O-N 3.13Å; P472-V475 VanDerWaalsContact O-CB 3.3Å; P472-V475 WeakPolarHBondContact O-CB 3.2Å; P472-V475 WeakPolarHBondContact O-CG2 3.25Å; P472-V475 PolarHBondContact O-N 3.07Å; P472-V475 VanDerWaalsContact O-N 3.07Å
473	E	86.5	Confident	88	Confident	50 Å²	50	22.2 Å²	22.2	23%	0.234	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-63.4	-18	177.1	67.8	-80	-171	0	0	114.3	H173 G317 R318 S471	H173-E473 HydrophobicContact CB-CG 4.47Å; H173-E473 IonicContact CD2-OE1 3.16Å; G317-E473 CarbonylContact C-O 3.5Å; G317-E473 WeakPolarHBondContact CA-O 3.32Å; R318-E473 HydrophobicContact CG-CB 4.06Å; R318-E473 WeakPolarHBondContact CG-O 3.19Å; R318-E473 PolarHBondContact N-O 3.43Å; R318-E473 VanDerWaalsContact N-O 3.11Å; R318-E473 VanDerWaalsContact NE-CB 3.33Å; S471-E473 WeakPolarHBondContact CA-OE2 3.3Å; S471-E473 PolarHBondContact O-N 3.28Å; S471-E473 VanDerWaalsContact O-N 3.16Å
474	T	90	Very high	86.8	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-92.9	-7.1	178.7	73.1	0	0	0	0	112.5	S172 I316 G317 L467 S471 P472 T528	S172-T474 WeakPolarHBondContact O-CA 3.36Å; S172-T474 WeakPolarHBondContact O-CG2 3.28Å; I316-T474 WeakPolarHBondContact CA-O 3.44Å; I316-T474 WeakPolarHBondContact CB-O 3.47Å; G317-T474 PolarHBondContact N-O 2.84Å; L467-T474 WeakPolarHBondContact CD1-OG1 3.25Å; S471-T474 PolarHBondContact O-N 2.99Å; S471-T474 PolarHBondContact O-OG1 3.07Å; P472-T474 PolarHBondContact O-N 3.48Å; P472-T474 VanDerWaalsContact O-N 3.13Å; T474-T528 HydrophobicContact CG2-CG2 4.26Å
475	V	90.9	Very high	85.2	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.012	13%	0.134	C	C	.	.			trans	-67	142.7	178.5	171.6	0	0	0	0	111	A353 A354 Q461 L467 I468 P472	A353-V475 HydrophobicContact CB-CG1 4.19Å; A354-V475 HydrophobicContact CB-CB 4.27Å; A354-V475 HydrophobicContact CB-CG1 4.45Å; Q461-V475 HydrophobicContact CG-CG1 4.41Å; L467-V475 HydrophobicContact CD2-CG2 4.18Å; L467-V475 HydrophobicContact CG-CG2 4.29Å; I468-V475 HydrophobicContact CD1-CG2 3.8Å; P472-V475 VanDerWaalsContact O-CB 3.3Å; P472-V475 WeakPolarHBondContact O-CB 3.2Å; P472-V475 WeakPolarHBondContact O-CG2 3.25Å; P472-V475 PolarHBondContact O-N 3.07Å; P472-V475 VanDerWaalsContact O-N 3.07Å
476	G	94.3	Very high	83.6	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.			trans	-151.2	-137.7	177	0	0	0	0	0	112.3	L315 S320 A353 N462	L315-G476 CarbonylContact O-C 3.55Å; L315-G476 VanDerWaalsContact O-CA 3.24Å; L315-G476 WeakPolarHBondContact O-CA 3.49Å; S320-G476 WeakPolarHBondContact OG-CA 3.19Å; A353-G476 VanDerWaalsContact CB-CA 3.47Å; A353-G476 WeakPolarHBondContact CB-O 3.28Å; N462-G476 VanDerWaalsContact CG-C 3.45Å; N462-G476 PolarHBondContact N-O 3.24Å; N462-G476 PolarHBondContact OD1-N 3.49Å; N462-G476 PolarHBondContact OD1-O 3.05Å; N462-G476 VanDerWaalsContact OD1-O 3.11Å
477	W	97.2	Very high	81.8	Confident	1 Å²	1	34.8 Å²	34.8	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.8	-172.5	-67	93.9	0	0	0	110.4	L315 H321 I324 W343 A353 V356 I362 L459 V460 Q461 N462	L315-W477 WeakPolarHBondContact CA-O 3.44Å; L315-W477 WeakPolarHBondContact CB-O 3.33Å; L315-W477 PolarHBondContact N-O 2.96Å; L315-W477 PolarHBondContact O-N 2.93Å; H321-W477 AromaticContact CG-NE1 3.8Å; H321-W477 AromaticContact ND1-CE2 3.71Å; H321-W477 AromaticContact ND1-CZ2 3.75Å; H321-W477 AromaticContact ND1-NE1 3.2Å; H321-W477 PolarHBondContact ND1-NE1 2.73Å; I324-W477 HydrophobicContact CD1-CB 3.25Å; I324-W477 HydrophobicContact CD1-CG 3.61Å; W343-W477 HydrophobicContact CZ3-CZ2 4.46Å; A353-W477 HydrophobicContact CB-CG 4.39Å; A353-W477 VanDerWaalsContact CB-NE1 3.29Å; V356-W477 HydrophobicContact CG1-CH2 4.37Å; V356-W477 HydrophobicContact CG2-CH2 4.48Å; V356-W477 HydrophobicContact CG2-CZ2 4.18Å; I362-W477 HydrophobicContact CD1-CH2 4.16Å; I362-W477 HydrophobicContact CD1-CZ3 4.38Å; L459-W477 HydrophobicContact CB-CE3 3.98Å; L459-W477 HydrophobicContact CB-CZ3 4.19Å; V460-W477 CarbonylContact O-C 3.57Å; V460-W477 WeakPolarHBondContact O-CA 3.3Å; Q461-W477 HydrophobicContact CB-CE3 4.27Å; Q461-W477 HydrophobicContact CB-CH2 4.42Å; Q461-W477 HydrophobicContact CB-CZ3 4.05Å; N462-W477 PolarHBondContact ND2-N 2.71Å; N462-W477 PolarHBondContact ND2-O 2.92Å
478	D	97	Very high	79.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.7	163.2	-73.1	2.5	0	0	0	109.1	R312 L313 R314 L459 V460 N462	R312-D478 HydrophobicContact CG-CB 4.39Å; R312-D478 IonicContact CZ-OD2 3.85Å; R312-D478 VanDerWaalsContact CZ-OD2 3.23Å; R312-D478 IonicContact NE-OD2 3.12Å; R312-D478 PolarHBondContact NE-OD2 2.71Å; R312-D478 IonicContact NH2-OD2 3.99Å; R312-D478 PolarHBondContact NH2-OD2 2.84Å; L313-D478 CarbonylContact O-C 3.41Å; L313-D478 WeakPolarHBondContact O-CA 3.3Å; R314-D478 VanDerWaalsContact CA-OD1 3.3Å; R314-D478 WeakPolarHBondContact CA-OD1 3.45Å; R314-D478 WeakPolarHBondContact CB-OD1 3.23Å; R314-D478 WeakPolarHBondContact CD-OD1 3.45Å; R314-D478 WeakPolarHBondContact CG-OD1 3.12Å; R314-D478 IonicContact CZ-OD1 2.67Å; R314-D478 IonicContact CZ-OD2 3.97Å; R314-D478 IonicContact NE-OD1 2.84Å; R314-D478 PolarHBondContact NE-OD1 3.41Å; R314-D478 IonicContact NE-OD2 3.72Å; R314-D478 PolarHBondContact NE-OD2 3.5Å; R314-D478 VanDerWaalsContact NE-OD2 3.16Å; R314-D478 IonicContact NH2-OD1 3.19Å; R314-D478 IonicContact NH2-OD2 2.93Å; R314-D478 PolarHBondContact NH2-OD2 3.16Å; L459-D478 WeakPolarHBondContact CA-O 3.36Å; V460-D478 HydrophobicContact CB-CB 4.31Å; V460-D478 PolarHBondContact N-O 3.3Å; V460-D478 PolarHBondContact O-N 3.26Å; N462-D478 HydrophobicContact CB-CB 4.26Å; N462-D478 VanDerWaalsContact CB-CG 3.44Å; N462-D478 WeakPolarHBondContact CB-OD1 3.25Å; N462-D478 PolarHBondContact ND2-OD1 3.33Å
479	V	96.1	Very high	77.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	110.2	178	180	0	0	0	0	107	R312 L313 L315 I324 V457 L459 L481 F503	R312-V479 WeakPolarHBondContact CA-O 3.31Å; L313-V479 HydrophobicContact CB-CB 4.5Å; L313-V479 PolarHBondContact N-O 3.27Å; L313-V479 PolarHBondContact O-N 2.89Å; L315-V479 HydrophobicContact CD1-CG2 3.73Å; I324-V479 HydrophobicContact CD1-CG2 4.11Å; V457-V479 HydrophobicContact CG1-CG1 3.68Å; L459-V479 HydrophobicContact CD2-CG2 3.77Å; V479-L481 HydrophobicContact CG1-CD2 3.73Å; V479-L481 HydrophobicContact CG1-CG 4.09Å; V479-F503 HydrophobicContact CB-CE1 4.25Å; V479-F503 HydrophobicContact CB-CZ 4.28Å; V479-F503 HydrophobicContact CG1-CE1 4.36Å; V479-F503 HydrophobicContact CG1-CE2 4.37Å; V479-F503 HydrophobicContact CG1-CZ 4.24Å; V479-F503 HydrophobicContact CG2-CE1 3.97Å; V479-F503 HydrophobicContact CG2-CE2 4.36Å; V479-F503 HydrophobicContact CG2-CZ 3.64Å
480	I	94.1	Very high	76.4	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125	176.5	-57.6	173	0	0	0	107.8	L254 F310 C311 R312 L442 V458 V460	L254-I480 HydrophobicContact CD2-CD1 4.27Å; F310-I480 HydrophobicContact CB-CG2 4.08Å; C311-I480 CarbonylContact O-C 2.96Å; C311-I480 VanDerWaalsContact O-CA 3.29Å; C311-I480 WeakPolarHBondContact O-CA 3.44Å; R312-I480 HydrophobicContact CB-CG1 4.48Å; R312-I480 HydrophobicContact CG-CG1 4.04Å; L442-I480 HydrophobicContact CD2-CG2 3.9Å; V458-I480 HydrophobicContact CB-CB 4.17Å; V458-I480 PolarHBondContact N-O 3.31Å; V458-I480 PolarHBondContact O-N 2.87Å; V460-I480 HydrophobicContact CG2-CD1 3.84Å
481	L	89.2	Confident	74.8	Confident	3 Å²	3	47 Å²	47	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.6	175.6	-38.1	164.8	0	0	0	109.6	F310 C311 F370 V457 V479 A500	F310-L481 CarbonylContact C-O 3.51Å; F310-L481 WeakPolarHBondContact CA-O 3.38Å; C311-L481 PolarHBondContact N-O 2.78Å; C311-L481 PolarHBondContact O-N 3.29Å; C311-L481 WeakPolarHBondContact SG-CB 3.35Å; C311-L481 PolarHBondContact SG-O 2.96Å; F370-L481 HydrophobicContact CE2-CD1 4.27Å; F370-L481 HydrophobicContact CE2-CD2 4.49Å; F370-L481 HydrophobicContact CZ-CD2 4.25Å; V457-L481 HydrophobicContact CB-CD2 4.1Å; V457-L481 HydrophobicContact CG1-CD2 3.98Å; V457-L481 HydrophobicContact CG2-CD2 3.58Å; V479-L481 HydrophobicContact CG1-CD2 3.73Å; V479-L481 HydrophobicContact CG1-CG 4.09Å; L481-A500 HydrophobicContact CD1-CB 4.32Å
482	R	81.3	Confident	72.8	Confident	76 Å²	76	51.1 Å²	51.1	29%	0.287	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	136.7	169.9	-170.2	175.3	-179.2	176	2.9	110.5
483	R	74.4	Confident	71	Confident	25 Å²	25	51.1 Å²	51.1	9%	0.094	25%	0.249	C	C	.	.			trans	-89.3	117	168.3	-57.7	-163.1	-156.2	170.9	7.9	108.7	P137 S182 G308 Y309 F310 C311 F485	P137-R483 VanDerWaalsContact CG-NE 3.34Å; S182-R483 PolarHBondContact O-NH2 2.84Å; G308-R483 WeakPolarHBondContact O-CD 3.48Å; G308-R483 PolarHBondContact O-NE 3.49Å; Y309-R483 VanDerWaalsContact O-CB 3.29Å; Y309-R483 WeakPolarHBondContact O-CB 3.32Å; Y309-R483 WeakPolarHBondContact O-CG 3.49Å; Y309-R483 PolarHBondContact O-N 3.34Å; F310-R483 PolarHBondContact O-NE 2.86Å; F310-R483 PolarHBondContact O-NH2 3.25Å; C311-R483 HydrophobicContact CB-CG 4.21Å; R483-F485 HydrophobicContact CB-CE2 4.38Å; R483-F485 HydrophobicContact CB-CZ 4.32Å; R483-F485 WeakPolarHBondContact O-CD2 3.41Å; R483-F485 PolarHBondContact O-N 3.39Å
484	N	63.7	Low	69.4	Low	48 Å²	48	49.5 Å²	49.5	26%	0.257	24%	0.242	S	C	.	.			trans	-78	110	170.6	-65.6	-8	0	0	0	108.4
485	F	56.5	Low	67.7	Low	63 Å²	63	58 Å²	58	28%	0.276	27%	0.274	S	S	.	.			trans	-81.4	128.9	169.2	-56.5	-84.9	0	0	0	108.2	V119 G308 Y309 R483 Q487	V119-F485 HydrophobicContact CG1-CD1 3.38Å; V119-F485 HydrophobicContact CG1-CE1 3.21Å; G308-F485 VanDerWaalsContact O-CZ 3.31Å; G308-F485 WeakPolarHBondContact O-CZ 3.17Å; Y309-F485 HydrophobicContact CD1-CD2 4.35Å; Y309-F485 AromaticContact CD1-CE2 3.59Å; Y309-F485 HydrophobicContact CD1-CE2 3.59Å; Y309-F485 HydrophobicContact CD1-CZ 4.43Å; Y309-F485 HydrophobicContact CD2-CE2 4.47Å; Y309-F485 HydrophobicContact CE1-CD2 4.48Å; Y309-F485 AromaticContact CE1-CE2 3.99Å; Y309-F485 HydrophobicContact CE1-CE2 3.99Å; Y309-F485 AromaticContact CG-CE2 3.86Å; Y309-F485 HydrophobicContact CG-CE2 3.86Å; Y309-F485 HydrophobicContact CG-CZ 4.3Å; R483-F485 HydrophobicContact CB-CE2 4.38Å; R483-F485 HydrophobicContact CB-CZ 4.32Å; R483-F485 WeakPolarHBondContact O-CD2 3.41Å; R483-F485 PolarHBondContact O-N 3.39Å; F485-Q487 PolarHBondContact O-N 3.25Å
486	P	48.7	Very low	66.2	Low	20 Å²	20	58.4 Å²	58.4	13%	0.13	28%	0.278	C	S	.	.			trans	-68.6	99.8	173.5	23.5	-25.1	0	0	0	108.6	A116 I120 S488 L493 L494	A116-P486 HydrophobicContact CB-CG 3.85Å; I120-P486 HydrophobicContact CD1-CG 4.2Å; P486-S488 WeakPolarHBondContact CB-O 3.44Å; P486-L493 HydrophobicContact CB-CB 3.93Å; P486-L493 HydrophobicContact CB-CD1 4.48Å; P486-L494 HydrophobicContact CG-CD2 4.21Å
487	Q	47.2	Very low	64.7	Low	186 Å²	186	59.1 Å²	59.1	87%	0.869	28%	0.283	S	S	*	.	S	Bend	trans	-68.6	-30.7	165.7	-66.9	-176.3	9.5	0	0	110.2	F485	F485-Q487 PolarHBondContact O-N 3.25Å
488	S	43.6	Very low	63.6	Low	46 Å²	46	59.6 Å²	59.6	32%	0.322	29%	0.286	S	S	.	.	S	Bend	trans	-112	160.8	175.4	83.9	0	0	0	0	112.3	P486 N490 L493	P486-S488 WeakPolarHBondContact CB-O 3.44Å; S488-N490 PolarHBondContact O-N 2.73Å; S488-N490 VanDerWaalsContact OG-CB 3.29Å; S488-N490 WeakPolarHBondContact OG-CB 3.45Å; S488-N490 PolarHBondContact OG-N 3.5Å; S488-N490 PolarHBondContact OG-ND2 2.95Å; S488-L493 WeakPolarHBondContact OG-CD1 3.2Å
489	K	46.6	Very low	62.9	Low	212 Å²	212	60.5 Å²	60.5	92%	0.922	29%	0.292	S	S	*	.	S	Bend	trans	-68.7	6.6	173.7	-71.3	177.7	-178.6	166.8	0	113.5	D491	K489-D491 PolarHBondContact O-N 3.41Å
490	N	50.1	Low	62.6	Low	99 Å²	99	60.6 Å²	60.6	53%	0.529	29%	0.292	S	S	.	.			trans	-66.9	132.7	-176.6	-70	-8.9	0	0	0	111.7	S488 L492 L493	S488-N490 PolarHBondContact O-N 2.73Å; S488-N490 VanDerWaalsContact OG-CB 3.29Å; S488-N490 WeakPolarHBondContact OG-CB 3.45Å; S488-N490 PolarHBondContact OG-N 3.5Å; S488-N490 PolarHBondContact OG-ND2 2.95Å; N490-L492 PolarHBondContact O-N 2.86Å; N490-L493 PolarHBondContact O-N 3.08Å
491	D	48.6	Very low	62.3	Low	101 Å²	101	62.9 Å²	62.9	54%	0.54	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.4	178.9	-86.7	-14.4	0	0	0	113.2	K489 L494	K489-D491 PolarHBondContact O-N 3.41Å; D491-L494 WeakPolarHBondContact O-CB 3.44Å; D491-L494 PolarHBondContact O-N 3.14Å
492	L	46.1	Very low	62.2	Low	87 Å²	87	63.4 Å²	63.4	46%	0.455	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-43.7	179.8	-94.9	115.9	0	0	0	112.8	N490 L494 R495	N490-L492 PolarHBondContact O-N 2.86Å; L492-L494 PolarHBondContact O-N 2.89Å; L492-R495 WeakPolarHBondContact O-CB 3.5Å; L492-R495 PolarHBondContact O-N 2.87Å
493	L	48.5	Very low	62.8	Low	53 Å²	53	59.8 Å²	59.8	28%	0.277	29%	0.29	S	S	.	.	H	α-helix	trans	-62.5	-27.3	178.3	-68.9	171.2	0	0	0	112.1	P486 S488 N490 R495 G496	P486-L493 HydrophobicContact CB-CB 3.93Å; P486-L493 HydrophobicContact CB-CD1 4.48Å; S488-L493 WeakPolarHBondContact OG-CD1 3.2Å; N490-L493 PolarHBondContact O-N 3.08Å; L493-R495 PolarHBondContact O-N 3.1Å; L493-G496 PolarHBondContact O-N 3.16Å
494	L	53.8	Low	63.7	Low	15 Å²	15	58.6 Å²	58.6	8%	0.079	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-26	173.7	-63	173.9	0	0	0	112.8	L112 A116 P486 D491 L492 S497	L112-L494 HydrophobicContact CB-CB 4.45Å; L112-L494 HydrophobicContact CB-CD1 4.36Å; A116-L494 HydrophobicContact CB-CD2 3.38Å; P486-L494 HydrophobicContact CG-CD2 4.21Å; D491-L494 WeakPolarHBondContact O-CB 3.44Å; D491-L494 PolarHBondContact O-N 3.14Å; L492-L494 PolarHBondContact O-N 2.89Å; L494-S497 PolarHBondContact O-N 3.37Å; L494-S497 PolarHBondContact O-OG 3.01Å
495	R	53.7	Low	65	Low	180 Å²	180	56.9 Å²	56.9	68%	0.679	28%	0.276	S	S	*	.	H	α-helix	trans	-72.1	-38.4	178.3	-69.3	-170.5	178.4	-166.3	3.3	112	L492 L493 S497 L498	L492-R495 WeakPolarHBondContact O-CB 3.5Å; L492-R495 PolarHBondContact O-N 2.87Å; L493-R495 PolarHBondContact O-N 3.1Å; R495-S497 PolarHBondContact O-N 2.87Å; R495-L498 WeakPolarHBondContact O-CB 3.44Å; R495-L498 PolarHBondContact O-N 3.49Å
496	G	59.3	Low	66.7	Low	9 Å²	9	53.9 Å²	53.9	9%	0.093	26%	0.263	C	S	.	.	H	α-helix	trans	-58.3	-33	173.8	0	0	0	0	0	112.4	L493 L498 T499	L493-G496 PolarHBondContact O-N 3.16Å; G496-L498 PolarHBondContact O-N 2.93Å; G496-L498 VanDerWaalsContact O-N 3.09Å; G496-T499 WeakPolarHBondContact O-CG2 3.42Å; G496-T499 PolarHBondContact O-N 3.5Å; G496-T499 PolarHBondContact O-OG1 3.12Å; G496-T499 VanDerWaalsContact O-OG1 3.08Å
497	S	63.6	Low	68.8	Low	16 Å²	16	52.9 Å²	52.9	11%	0.112	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.5	174.3	80.5	0	0	0	0	114.8	L494 R495	L494-S497 PolarHBondContact O-N 3.37Å; L494-S497 PolarHBondContact O-OG 3.01Å; R495-S497 PolarHBondContact O-N 2.87Å
498	L	74.7	Confident	70.9	Confident	11 Å²	11	45.1 Å²	45.1	6%	0.058	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-10.3	-178.4	-67.2	-176.3	0	0	0	115	L112 R495 G496 A500 R501 D502	L112-L498 HydrophobicContact CD1-CD1 4.22Å; L112-L498 HydrophobicContact CD2-CD1 3.21Å; L112-L498 HydrophobicContact CD2-CD2 3.29Å; L112-L498 HydrophobicContact CD2-CG 3.35Å; L112-L498 HydrophobicContact CG-CD1 4.32Å; R495-L498 WeakPolarHBondContact O-CB 3.44Å; R495-L498 PolarHBondContact O-N 3.49Å; G496-L498 PolarHBondContact O-N 2.93Å; G496-L498 VanDerWaalsContact O-N 3.09Å; L498-A500 VanDerWaalsContact C-N 3.26Å; L498-A500 PolarHBondContact O-N 2.98Å; L498-A500 VanDerWaalsContact O-N 3.17Å; L498-R501 CarbonylContact O-C 3.59Å; L498-R501 WeakPolarHBondContact O-CA 3.43Å; L498-R501 WeakPolarHBondContact O-CB 3.49Å; L498-R501 PolarHBondContact O-N 3.35Å; L498-D502 WeakPolarHBondContact O-CB 3.36Å; L498-D502 VanDerWaalsContact O-CG 3.24Å; L498-D502 PolarHBondContact O-N 3.43Å; L498-D502 VanDerWaalsContact O-OD1 3.09Å
499	T	82.2	Confident	73	Confident	19 Å²	19	46.9 Å²	46.9	12%	0.117	22%	0.222	C	C	.	.	H	α-helix	trans	-50.3	-46.6	-173.2	52.4	0	0	0	0	111.9	I455 G496 R501 D502 F503	I455-T499 HydrophobicContact CD1-CG2 4.33Å; I455-T499 HydrophobicContact CG1-CG2 4.21Å; G496-T499 WeakPolarHBondContact O-CG2 3.42Å; G496-T499 PolarHBondContact O-N 3.5Å; G496-T499 PolarHBondContact O-OG1 3.12Å; G496-T499 VanDerWaalsContact O-OG1 3.08Å; T499-R501 PolarHBondContact O-N 2.87Å; T499-D502 WeakPolarHBondContact O-CB 3.41Å; T499-D502 PolarHBondContact O-N 3.22Å; T499-D502 VanDerWaalsContact O-N 3.16Å; T499-F503 WeakPolarHBondContact O-CB 3.24Å; T499-F503 PolarHBondContact O-N 3.22Å
500	A	88.6	Confident	75.1	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-58.9	-44.2	175.4	0	0	0	0	0	113.7	P137 T138 C311 L313 L481 L498 D502 L504	P137-A500 HydrophobicContact CB-CB 3.64Å; T138-A500 HydrophobicContact CG2-CB 4.35Å; C311-A500 HydrophobicContact CB-CB 4.21Å; C311-A500 VanDerWaalsContact SG-CB 3.59Å; L313-A500 HydrophobicContact CD1-CB 4.2Å; L313-A500 WeakPolarHBondContact CD1-O 3.32Å; L481-A500 HydrophobicContact CD1-CB 4.32Å; L498-A500 VanDerWaalsContact C-N 3.26Å; L498-A500 PolarHBondContact O-N 2.98Å; L498-A500 VanDerWaalsContact O-N 3.17Å; A500-D502 VanDerWaalsContact C-N 3.31Å; A500-L504 WeakPolarHBondContact O-CB 3.26Å; A500-L504 PolarHBondContact O-N 3.49Å
501	R	87.9	Confident	76.8	Confident	51 Å²	51	32.9 Å²	32.9	19%	0.192	16%	0.157	C	C	.	.	H	α-helix	trans	-67.3	-37.4	177.4	-178.8	-162.4	162.6	-137.3	-9.9	110.8	W141 L498 T499 I505	W141-R501 HydrophobicContact CB-CG 4.24Å; L498-R501 CarbonylContact O-C 3.59Å; L498-R501 WeakPolarHBondContact O-CA 3.43Å; L498-R501 WeakPolarHBondContact O-CB 3.49Å; L498-R501 PolarHBondContact O-N 3.35Å; T499-R501 PolarHBondContact O-N 2.87Å; R501-I505 HydrophobicContact CG-CD1 4.07Å; R501-I505 WeakPolarHBondContact O-CB 3.47Å; R501-I505 WeakPolarHBondContact O-CD1 3.22Å; R501-I505 VanDerWaalsContact O-CG1 3.3Å; R501-I505 WeakPolarHBondContact O-CG1 3.49Å; R501-I505 PolarHBondContact O-N 3.42Å
502	D	88.2	Confident	78.9	Confident	14 Å²	14	28.1 Å²	28.1	8%	0.075	13%	0.131	C	C	.	.	H	α-helix	trans	-69.6	-45.3	-177.6	-70	14.3	0	0	0	110	R371 L498 T499 A500 I505 A506	R371-D502 HydrophobicContact CG-CB 4.26Å; R371-D502 IonicContact CZ-OD1 2.85Å; R371-D502 IonicContact CZ-OD2 3.19Å; R371-D502 IonicContact NE-OD1 2.79Å; R371-D502 IonicContact NE-OD2 2.6Å; R371-D502 IonicContact NH1-OD1 2.87Å; R371-D502 PolarHBondContact NH1-OD1 2.86Å; R371-D502 IonicContact NH1-OD2 2.71Å; R371-D502 PolarHBondContact NH1-OD2 2.77Å; R371-D502 VanDerWaalsContact NH2-CG 3.28Å; R371-D502 IonicContact NH2-OD1 3.02Å; R371-D502 PolarHBondContact NH2-OD1 2.96Å; R371-D502 IonicContact NH2-OD2 3.64Å; L498-D502 WeakPolarHBondContact O-CB 3.36Å; L498-D502 VanDerWaalsContact O-CG 3.24Å; L498-D502 PolarHBondContact O-N 3.43Å; L498-D502 VanDerWaalsContact O-OD1 3.09Å; T499-D502 WeakPolarHBondContact O-CB 3.41Å; T499-D502 PolarHBondContact O-N 3.22Å; T499-D502 VanDerWaalsContact O-N 3.16Å; A500-D502 VanDerWaalsContact C-N 3.31Å; D502-I505 PolarHBondContact O-N 3.35Å; D502-A506 PolarHBondContact O-N 3.25Å
503	F	92.8	Very high	81.2	Confident	0 Å²	0	25 Å²	25	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-56	-53.1	169.5	-176.9	-96.7	0	0	0	111.4	L313 L315 I324 I327 I328 F370 V479 T499 I505 A506 C507	L313-F503 HydrophobicContact CD1-CB 4.42Å; L313-F503 HydrophobicContact CD1-CD1 3.56Å; L313-F503 HydrophobicContact CD1-CE1 4.31Å; L313-F503 HydrophobicContact CD1-CG 4.39Å; L315-F503 HydrophobicContact CD1-CE1 3.9Å; L315-F503 HydrophobicContact CD1-CZ 4.13Å; L315-F503 HydrophobicContact CD2-CZ 4.44Å; I324-F503 HydrophobicContact CG1-CZ 4.48Å; I327-F503 HydrophobicContact CB-CE2 4.5Å; I327-F503 HydrophobicContact CD1-CE2 4.48Å; I327-F503 HydrophobicContact CG2-CD2 3.85Å; I327-F503 HydrophobicContact CG2-CE2 3.78Å; I328-F503 HydrophobicContact CD1-CE2 4.48Å; I328-F503 HydrophobicContact CG1-CE2 4.36Å; F370-F503 HydrophobicContact CD1-CD2 4.04Å; F370-F503 HydrophobicContact CD2-CB 3.56Å; F370-F503 HydrophobicContact CD2-CD2 4.03Å; F370-F503 HydrophobicContact CD2-CG 4.3Å; F370-F503 HydrophobicContact CE1-CD2 4.08Å; F370-F503 HydrophobicContact CE2-CB 3.84Å; F370-F503 HydrophobicContact CE2-CD2 4.06Å; F370-F503 HydrophobicContact CE2-CG 4.37Å; F370-F503 HydrophobicContact CG-CB 4.18Å; F370-F503 HydrophobicContact CG-CD2 4Å; F370-F503 HydrophobicContact CZ-CD2 4.08Å; V479-F503 HydrophobicContact CB-CE1 4.25Å; V479-F503 HydrophobicContact CB-CZ 4.28Å; V479-F503 HydrophobicContact CG1-CE1 4.36Å; V479-F503 HydrophobicContact CG1-CE2 4.37Å; V479-F503 HydrophobicContact CG1-CZ 4.24Å; V479-F503 HydrophobicContact CG2-CE1 3.97Å; V479-F503 HydrophobicContact CG2-CE2 4.36Å; V479-F503 HydrophobicContact CG2-CZ 3.64Å; T499-F503 WeakPolarHBondContact O-CB 3.24Å; T499-F503 PolarHBondContact O-N 3.22Å; F503-I505 PolarHBondContact O-N 3.46Å; F503-A506 WeakPolarHBondContact O-CA 3.44Å; F503-A506 WeakPolarHBondContact O-CB 3.39Å; F503-A506 PolarHBondContact O-N 2.99Å; F503-C507 WeakPolarHBondContact CE1-SG 3.24Å; F503-C507 PolarHBondContact O-N 3.18Å; F503-C507 PolarHBondContact O-SG 3.5Å
504	L	92.8	Very high	83.4	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-54.3	-42.4	177.6	179.9	150.9	0	0	0	112	T138 W141 L178 A500 C507 V508 V514	T138-L504 HydrophobicContact CG2-CB 4.33Å; T138-L504 HydrophobicContact CG2-CD1 3.76Å; W141-L504 HydrophobicContact CB-CD2 4.5Å; W141-L504 HydrophobicContact CD2-CD2 3.26Å; W141-L504 HydrophobicContact CE3-CD1 4.21Å; W141-L504 HydrophobicContact CE3-CD2 3.57Å; W141-L504 HydrophobicContact CG-CD2 3.68Å; W141-L504 HydrophobicContact CH2-CD2 4.03Å; W141-L504 HydrophobicContact CZ2-CD2 3.73Å; W141-L504 HydrophobicContact CZ3-CD1 4.46Å; W141-L504 HydrophobicContact CZ3-CD2 3.93Å; L178-L504 HydrophobicContact CD2-CB 3.99Å; L178-L504 HydrophobicContact CD2-CD1 3.63Å; L178-L504 HydrophobicContact CD2-CG 3.44Å; L178-L504 VanDerWaalsContact CD2-CG 3.44Å; A500-L504 WeakPolarHBondContact O-CB 3.26Å; A500-L504 PolarHBondContact O-N 3.49Å; L504-C507 PolarHBondContact O-N 3.4Å; L504-V508 HydrophobicContact CD2-CG2 4.17Å; L504-V508 VanDerWaalsContact O-CG2 3.28Å; L504-V508 WeakPolarHBondContact O-CG2 3.37Å; L504-V508 PolarHBondContact O-N 3.46Å; L504-V514 HydrophobicContact CD1-CG1 4.46Å
505	I	91	Very high	85.4	Confident	11 Å²	11	22.1 Å²	22.1	6%	0.056	10%	0.1	C	C	.	.	H	α-helix	trans	-66	-39.3	177.4	-75.5	163.4	0	0	0	111.4	R374 R501 D502 F503 V508 Y509	R374-I505 VanDerWaalsContact NH2-CG2 3.25Å; R501-I505 HydrophobicContact CG-CD1 4.07Å; R501-I505 WeakPolarHBondContact O-CB 3.47Å; R501-I505 WeakPolarHBondContact O-CD1 3.22Å; R501-I505 VanDerWaalsContact O-CG1 3.3Å; R501-I505 WeakPolarHBondContact O-CG1 3.49Å; R501-I505 PolarHBondContact O-N 3.42Å; D502-I505 PolarHBondContact O-N 3.35Å; F503-I505 PolarHBondContact O-N 3.46Å; I505-V508 PolarHBondContact O-N 3.04Å; I505-Y509 HydrophobicContact CG2-CD2 4.13Å; I505-Y509 HydrophobicContact CG2-CE2 4.35Å; I505-Y509 VanDerWaalsContact O-CD2 3.3Å; I505-Y509 WeakPolarHBondContact O-CD2 3.47Å; I505-Y509 PolarHBondContact O-N 2.85Å; I505-Y509 VanDerWaalsContact O-N 3.08Å
506	A	92.1	Very high	87.4	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.2	-43.7	175.6	0	0	0	0	0	111.2	I327 F370 D502 F503 V508 Y509 R510	I327-A506 HydrophobicContact CD1-CB 3.87Å; I327-A506 HydrophobicContact CG1-CB 4.18Å; I327-A506 HydrophobicContact CG2-CB 4.19Å; F370-A506 HydrophobicContact CB-CB 4.21Å; F370-A506 WeakPolarHBondContact O-CB 3.33Å; D502-A506 PolarHBondContact O-N 3.25Å; F503-A506 WeakPolarHBondContact O-CA 3.44Å; F503-A506 WeakPolarHBondContact O-CB 3.39Å; F503-A506 PolarHBondContact O-N 2.99Å; A506-V508 PolarHBondContact O-N 2.97Å; A506-Y509 PolarHBondContact O-N 3.24Å; A506-R510 PolarHBondContact O-N 3.41Å
507	C	92.9	Very high	89.2	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.7	-47.6	174.6	-54	0	0	0	0	112	L323 I327 F503 L504 Y509 R510 G511 A512	L323-C507 HydrophobicContact CD1-CB 4.3Å; L323-C507 HydrophobicContact CD2-CB 3.88Å; L323-C507 VanDerWaalsContact CD2-SG 3.58Å; I327-C507 HydrophobicContact CD1-CB 4.36Å; F503-C507 WeakPolarHBondContact CE1-SG 3.24Å; F503-C507 PolarHBondContact O-N 3.18Å; F503-C507 PolarHBondContact O-SG 3.5Å; L504-C507 PolarHBondContact O-N 3.4Å; C507-Y509 VanDerWaalsContact C-N 3.27Å; C507-Y509 PolarHBondContact O-N 3.06Å; C507-R510 CarbonylContact O-C 3.6Å; C507-R510 WeakPolarHBondContact O-CA 3.41Å; C507-R510 WeakPolarHBondContact O-CB 3.38Å; C507-R510 PolarHBondContact O-N 3.31Å; C507-G511 PolarHBondContact O-N 3.42Å; C507-A512 HydrophobicContact CB-CB 3.96Å; C507-A512 WeakPolarHBondContact O-CB 3.49Å; C507-A512 PolarHBondContact O-N 2.99Å; C507-A512 VanDerWaalsContact O-N 3.13Å
508	V	91.5	Very high	90.6	Very high	22 Å²	22	17 Å²	17	13%	0.133	8%	0.076	C	C	.	.	H	α-helix	trans	-62.1	-35.6	-179	169.8	0	0	0	0	111.9	W141 K378 L504 I505 A506 R510 G511 V514	W141-V508 HydrophobicContact CH2-CG2 4.24Å; W141-V508 HydrophobicContact CZ2-CG1 4.44Å; W141-V508 HydrophobicContact CZ2-CG2 3.77Å; K378-V508 VanDerWaalsContact CD-O 3.32Å; K378-V508 WeakPolarHBondContact CD-O 3.46Å; K378-V508 WeakPolarHBondContact CE-O 3.45Å; K378-V508 WeakPolarHBondContact CG-O 3.45Å; L504-V508 HydrophobicContact CD2-CG2 4.17Å; L504-V508 VanDerWaalsContact O-CG2 3.28Å; L504-V508 WeakPolarHBondContact O-CG2 3.37Å; L504-V508 PolarHBondContact O-N 3.46Å; I505-V508 PolarHBondContact O-N 3.04Å; A506-V508 PolarHBondContact O-N 2.97Å; V508-R510 VanDerWaalsContact C-N 3.28Å; V508-G511 PolarHBondContact O-N 3.15Å; V508-G511 VanDerWaalsContact O-N 3.16Å; V508-V514 HydrophobicContact CG2-CG2 3.52Å
509	Y	88.3	Confident	91.6	Very high	83 Å²	83	16.7 Å²	16.7	33%	0.325	8%	0.075	S	C	.	.	H	α-helix	trans	-73.4	-22.7	177.3	-90.3	-112.3	0	0	0	112.7	R374 K378 I379 I505 A506 C507 G511	R374-Y509 HydrophobicContact CG-CD1 4.11Å; R374-Y509 HydrophobicContact CG-CG 4.18Å; R374-Y509 VanDerWaalsContact NE-CD1 3.26Å; R374-Y509 VanDerWaalsContact NE-CG 3.29Å; R374-Y509 VanDerWaalsContact NH2-CD2 3.31Å; R374-Y509 PolarHBondContact NH2-OH 3.38Å; K378-Y509 CarbonylContact C-O 3.57Å; K378-Y509 VanDerWaalsContact CA-O 3.26Å; K378-Y509 WeakPolarHBondContact CA-O 3.33Å; I379-Y509 PolarHBondContact N-O 3.44Å; I505-Y509 HydrophobicContact CG2-CD2 4.13Å; I505-Y509 HydrophobicContact CG2-CE2 4.35Å; I505-Y509 VanDerWaalsContact O-CD2 3.3Å; I505-Y509 WeakPolarHBondContact O-CD2 3.47Å; I505-Y509 PolarHBondContact O-N 2.85Å; I505-Y509 VanDerWaalsContact O-N 3.08Å; A506-Y509 PolarHBondContact O-N 3.24Å; C507-Y509 VanDerWaalsContact C-N 3.27Å; C507-Y509 PolarHBondContact O-N 3.06Å; Y509-G511 VanDerWaalsContact C-N 3.25Å
510	R	89.8	Confident	92.3	Very high	15 Å²	15	16 Å²	16	6%	0.057	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	9.9	169.3	-82.6	175.3	-179	75.3	-4.8	113.9	L323 D326 N373 P375 I379 W384 A506 C507 V508	L323-R510 HydrophobicContact CD1-CB 3.83Å; L323-R510 HydrophobicContact CG-CB 4.07Å; D326-R510 PolarHBondContact O-NH2 3.08Å; N373-R510 PolarHBondContact O-NH1 3.18Å; N373-R510 PolarHBondContact O-NH2 2.85Å; P375-R510 HydrophobicContact CG-CG 4.35Å; I379-R510 CarbonylContact O-C 3.53Å; I379-R510 WeakPolarHBondContact O-CA 3.46Å; W384-R510 HydrophobicContact CH2-CB 3.99Å; W384-R510 HydrophobicContact CH2-CG 4.25Å; A506-R510 PolarHBondContact O-N 3.41Å; C507-R510 CarbonylContact O-C 3.6Å; C507-R510 WeakPolarHBondContact O-CA 3.41Å; C507-R510 WeakPolarHBondContact O-CB 3.38Å; C507-R510 PolarHBondContact O-N 3.31Å; V508-R510 VanDerWaalsContact C-N 3.28Å
511	G	87.2	Confident	92.5	Very high	3 Å²	3	16.6 Å²	16.6	3%	0.031	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	2.8	169.4	0	0	0	0	0	115.6	I379 R380 C507 V508 Y509	I379-G511 PolarHBondContact O-N 2.82Å; R380-G511 PolarHBondContact NE-O 2.87Å; C507-G511 PolarHBondContact O-N 3.42Å; V508-G511 PolarHBondContact O-N 3.15Å; V508-G511 VanDerWaalsContact O-N 3.16Å; Y509-G511 VanDerWaalsContact C-N 3.25Å
512	A	92	Very high	92.8	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.008	7%	0.07	C	C	.	.			trans	-59.5	142	169.6	0	0	0	0	0	110.7	C176 L323 C507	C176-A512 HydrophobicContact CB-CB 4.16Å; C176-A512 WeakPolarHBondContact O-CA 3.4Å; L323-A512 HydrophobicContact CD1-CB 3.72Å; C507-A512 HydrophobicContact CB-CB 3.96Å; C507-A512 WeakPolarHBondContact O-CB 3.49Å; C507-A512 PolarHBondContact O-N 2.99Å; C507-A512 VanDerWaalsContact O-N 3.13Å
513	E	94.1	Very high	93.1	Very high	21 Å²	21	15.3 Å²	15.3	10%	0.098	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	154.2	168.6	-63.3	-53.6	142	0	0	109.5	A171 C176 L177 L178 K378 R380	A171-E513 HydrophobicContact CB-CB 3.95Å; A171-E513 HydrophobicContact CB-CG 4Å; C176-E513 PolarHBondContact O-N 3.31Å; L177-E513 CarbonylContact C-O 2.88Å; L177-E513 WeakPolarHBondContact CA-O 3.49Å; L177-E513 HydrophobicContact CD1-CB 4.07Å; L178-E513 PolarHBondContact N-O 3.24Å; K378-E513 IonicContact NZ-OE1 3.04Å; K378-E513 PolarHBondContact NZ-OE1 3.5Å; K378-E513 VanDerWaalsContact NZ-OE1 3.12Å; R380-E513 IonicContact CZ-OE1 2.87Å; R380-E513 IonicContact NH2-OE1 2.93Å; R380-E513 PolarHBondContact NH2-OE1 2.96Å
514	V	95.9	Very high	93.2	Very high	5 Å²	5	15.3 Å²	15.3	3%	0.03	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.6	179.7	-172.5	0	0	0	0	107.9	W141 H142 F146 L178 L504 V508	W141-V514 HydrophobicContact CH2-CB 3.77Å; W141-V514 HydrophobicContact CH2-CG1 4.12Å; W141-V514 HydrophobicContact CH2-CG2 3.52Å; W141-V514 HydrophobicContact CZ2-CG2 4.28Å; W141-V514 HydrophobicContact CZ3-CB 3.98Å; W141-V514 HydrophobicContact CZ3-CG1 3.8Å; W141-V514 HydrophobicContact CZ3-CG2 4.03Å; H142-V514 WeakPolarHBondContact NE2-CG1 3.4Å; F146-V514 HydrophobicContact CE2-CG1 4.45Å; F146-V514 HydrophobicContact CZ-CB 4.09Å; F146-V514 HydrophobicContact CZ-CG1 3.99Å; F146-V514 WeakPolarHBondContact CZ-O 3.29Å; L178-V514 HydrophobicContact CB-CG2 4.36Å; L178-V514 HydrophobicContact CD2-CG2 4.12Å; L178-V514 WeakPolarHBondContact O-CA 3.4Å; L504-V514 HydrophobicContact CD1-CG1 4.46Å; V508-V514 HydrophobicContact CG2-CG2 3.52Å
515	G	95	Very high	93.2	Very high	2 Å²	2	15.4 Å²	15.4	2%	0.021	7%	0.068	C	C	.	.			trans	-101.4	155.5	178.9	0	0	0	0	0	112.1	L178	L178-G515 PolarHBondContact O-N 2.98Å
516	G	95.9	Very high	93.3	Very high	2 Å²	2	15 Å²	15	2%	0.021	7%	0.066	C	C	.	.			trans	-100.8	-176.9	165.9	0	0	0	0	0	111.4	P157 Y158 R518 D519 L520	P157-G516 CarbonylContact O-C 3.55Å; P157-G516 VanDerWaalsContact O-CA 3.27Å; P157-G516 WeakPolarHBondContact O-CA 3.49Å; Y158-G516 CarbonylContact O-C 3.55Å; Y158-G516 WeakPolarHBondContact O-CA 3.35Å; G516-R518 VanDerWaalsContact C-N 3.25Å; G516-R518 PolarHBondContact O-N 3.28Å; G516-D519 PolarHBondContact N-OD2 3.05Å; G516-D519 PolarHBondContact O-N 2.98Å; G516-L520 PolarHBondContact O-N 3.31Å
517	L	96.1	Very high	93.2	Very high	9 Å²	9	15.3 Å²	15.3	5%	0.047	7%	0.069	C	C	.	.	H	α-helix	trans	-52	-41.2	178.3	-71	170.9	0	0	0	113.2	I149 W152 L156 P157 Y158 D519 L520 Y521	I149-L517 HydrophobicContact CD1-CD1 3.97Å; I149-L517 HydrophobicContact CG1-CD1 4.46Å; W152-L517 HydrophobicContact CZ3-CD1 4.41Å; W152-L517 HydrophobicContact CZ3-CD2 4.41Å; L156-L517 HydrophobicContact CB-CD1 3.83Å; L156-L517 HydrophobicContact CD1-CD1 3.86Å; L156-L517 HydrophobicContact CG-CD1 4.5Å; P157-L517 PolarHBondContact O-N 3.31Å; Y158-L517 HydrophobicContact CD2-CB 4.44Å; Y158-L517 PolarHBondContact O-N 2.97Å; Y158-L517 VanDerWaalsContact O-N 3.14Å; L517-D519 VanDerWaalsContact C-N 3.32Å; L517-D519 PolarHBondContact O-N 3.14Å; L517-L520 WeakPolarHBondContact O-CB 3.32Å; L517-L520 PolarHBondContact O-N 2.89Å; L517-Y521 HydrophobicContact CB-CD2 4.49Å; L517-Y521 HydrophobicContact CB-CE2 4.02Å; L517-Y521 HydrophobicContact CD2-CE2 4.46Å; L517-Y521 WeakPolarHBondContact O-CD2 3.4Å; L517-Y521 PolarHBondContact O-N 3.09Å
518	R	94.8	Very high	93.1	Very high	86 Å²	86	15.3 Å²	15.3	33%	0.325	7%	0.069	S	C	.	.	H	α-helix	trans	-60.5	-43.2	177.3	-174.7	-163.5	64.9	-171.6	-7.5	111.9	Y158 A159 G516 L520 Y522	Y158-R518 HydrophobicContact CD2-CB 4.41Å; Y158-R518 HydrophobicContact CE1-CB 4.38Å; Y158-R518 HydrophobicContact CE2-CB 4Å; Y158-R518 WeakPolarHBondContact O-CB 3.36Å; Y158-R518 PolarHBondContact O-N 2.88Å; A159-R518 HydrophobicContact CB-CB 4.5Å; G516-R518 VanDerWaalsContact C-N 3.25Å; G516-R518 PolarHBondContact O-N 3.28Å; R518-L520 VanDerWaalsContact C-N 3.34Å; R518-Y522 WeakPolarHBondContact O-CB 3.31Å; R518-Y522 PolarHBondContact O-N 3.37Å; R518-Y522 VanDerWaalsContact O-N 3.14Å
519	D	95.1	Very high	93	Very high	5 Å²	5	17.2 Å²	17.2	3%	0.027	8%	0.076	C	C	.	.	H	α-helix	trans	-74.2	-32.2	-177.9	-43	-56	0	0	0	110.3	P160 F165 C168 F179 G516 L517 W523	P160-D519 WeakPolarHBondContact CD-OD2 3.42Å; F165-D519 WeakPolarHBondContact CD2-OD1 3.42Å; C168-D519 HydrophobicContact CB-CB 4.41Å; F179-D519 HydrophobicContact CE1-CB 4.4Å; G516-D519 PolarHBondContact N-OD2 3.05Å; G516-D519 PolarHBondContact O-N 2.98Å; L517-D519 VanDerWaalsContact C-N 3.32Å; L517-D519 PolarHBondContact O-N 3.14Å; D519-W523 WeakPolarHBondContact O-CB 3.4Å; D519-W523 PolarHBondContact O-N 2.89Å
520	L	95.7	Very high	93.2	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.021	6%	0.06	C	C	.	.	H	α-helix	trans	-61.1	-52.6	172.1	177	64.9	0	0	0	111.2	F179 F181 G516 L517 R518 Y522 W523 A524 D535	F179-L520 HydrophobicContact CD1-CB 3.96Å; F179-L520 HydrophobicContact CD1-CD1 4.35Å; F179-L520 HydrophobicContact CD2-CD1 4.02Å; F179-L520 HydrophobicContact CE1-CB 3.57Å; F179-L520 HydrophobicContact CE1-CD1 4.3Å; F179-L520 HydrophobicContact CE2-CD1 3.95Å; F179-L520 HydrophobicContact CG-CD1 4.2Å; F179-L520 HydrophobicContact CZ-CB 3.92Å; F179-L520 HydrophobicContact CZ-CD1 4.09Å; F181-L520 HydrophobicContact CE1-CD2 3.94Å; F181-L520 HydrophobicContact CE2-CD1 4.09Å; F181-L520 HydrophobicContact CE2-CD2 4.41Å; F181-L520 HydrophobicContact CZ-CD1 3.54Å; F181-L520 HydrophobicContact CZ-CD2 3.63Å; F181-L520 HydrophobicContact CZ-CG 4.24Å; G516-L520 PolarHBondContact O-N 3.31Å; L517-L520 WeakPolarHBondContact O-CB 3.32Å; L517-L520 PolarHBondContact O-N 2.89Å; R518-L520 VanDerWaalsContact C-N 3.34Å; L520-Y522 VanDerWaalsContact C-N 3.33Å; L520-Y522 PolarHBondContact O-N 3.11Å; L520-W523 HydrophobicContact CD1-CE3 3.83Å; L520-W523 HydrophobicContact CD1-CZ3 4.02Å; L520-W523 PolarHBondContact O-N 3.44Å; L520-W523 VanDerWaalsContact O-N 3.17Å; L520-A524 VanDerWaalsContact O-CB 3.28Å; L520-A524 WeakPolarHBondContact O-CB 3.49Å; L520-A524 PolarHBondContact O-N 3.38Å; L520-D535 HydrophobicContact CD1-CB 4.19Å
521	Y	94.6	Very high	93.1	Very high	15 Å²	15	12.7 Å²	12.7	6%	0.059	6%	0.059	C	C	.	.	H	α-helix	trans	-65	-37.9	-178.5	-63.3	-41	0	0	0	113	W152 L517 A524 G525 D535 E539	W152-Y521 VanDerWaalsContact CH2-OH 3.29Å; W152-Y521 WeakPolarHBondContact CH2-OH 3.45Å; L517-Y521 HydrophobicContact CB-CD2 4.49Å; L517-Y521 HydrophobicContact CB-CE2 4.02Å; L517-Y521 HydrophobicContact CD2-CE2 4.46Å; L517-Y521 WeakPolarHBondContact O-CD2 3.4Å; L517-Y521 PolarHBondContact O-N 3.09Å; Y521-A524 PolarHBondContact O-N 3.01Å; Y521-G525 PolarHBondContact O-N 2.75Å; Y521-D535 WeakPolarHBondContact CE1-O 3.44Å; Y521-E539 HydrophobicContact CE2-CB 4.29Å; Y521-E539 HydrophobicContact CE2-CG 3.95Å; Y521-E539 WeakPolarHBondContact CE2-OE1 3.25Å; Y521-E539 VanDerWaalsContact CE2-OE2 3.3Å; Y521-E539 WeakPolarHBondContact CE2-OE2 3.4Å; Y521-E539 PolarHBondContact OH-OE1 3.34Å
522	Y	93.6	Very high	93.3	Very high	34 Å²	34	12.6 Å²	12.6	13%	0.133	6%	0.058	C	C	.	.	H	α-helix	trans	-62.1	-44.3	173.2	-177	-88.7	0	0	0	111.7	F165 H169 R518 L520 L526 G527	F165-Y522 HydrophobicContact CE2-CD1 4.32Å; F165-Y522 HydrophobicContact CE2-CD2 4.37Å; F165-Y522 AromaticContact CE2-CG 3.99Å; F165-Y522 HydrophobicContact CE2-CG 3.99Å; F165-Y522 AromaticContact CZ-CD1 3.88Å; F165-Y522 HydrophobicContact CZ-CD1 3.88Å; F165-Y522 AromaticContact CZ-CD2 3.66Å; F165-Y522 HydrophobicContact CZ-CD2 3.66Å; F165-Y522 HydrophobicContact CZ-CE1 4.15Å; F165-Y522 AromaticContact CZ-CE2 3.9Å; F165-Y522 HydrophobicContact CZ-CE2 3.9Å; F165-Y522 AromaticContact CZ-CG 3.62Å; F165-Y522 HydrophobicContact CZ-CG 3.62Å; H169-Y522 AromaticContact CD2-CE1 3.45Å; H169-Y522 VanDerWaalsContact CD2-CE1 3.45Å; H169-Y522 WeakPolarHBondContact CD2-CE1 3.43Å; H169-Y522 AromaticContact NE2-CE1 3.9Å; R518-Y522 WeakPolarHBondContact O-CB 3.31Å; R518-Y522 PolarHBondContact O-N 3.37Å; R518-Y522 VanDerWaalsContact O-N 3.14Å; L520-Y522 VanDerWaalsContact C-N 3.33Å; L520-Y522 PolarHBondContact O-N 3.11Å; Y522-L526 HydrophobicContact CD2-CB 4.44Å; Y522-L526 HydrophobicContact CD2-CD1 4.23Å; Y522-L526 HydrophobicContact CE2-CB 4.15Å; Y522-L526 HydrophobicContact CE2-CD1 3.92Å; Y522-L526 PolarHBondContact O-N 3.2Å; Y522-G527 PolarHBondContact O-N 2.92Å
523	W	94.5	Very high	93.3	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.015	6%	0.063	C	C	.	.	H	α-helix	trans	-64.1	-49.8	176.1	165.8	76	0	0	0	112	I316 L467 D519 L520 G525 G527 T528 D535	I316-W523 HydrophobicContact CB-CZ2 4.42Å; I316-W523 HydrophobicContact CD1-CD2 3.55Å; I316-W523 HydrophobicContact CD1-CE3 4.26Å; I316-W523 HydrophobicContact CD1-CG 3.74Å; I316-W523 HydrophobicContact CD1-CZ2 3.87Å; I316-W523 HydrophobicContact CG2-CH2 4.14Å; I316-W523 HydrophobicContact CG2-CZ2 3.93Å; L467-W523 HydrophobicContact CD1-CH2 4.38Å; L467-W523 HydrophobicContact CD1-CZ2 3.86Å; L467-W523 HydrophobicContact CD2-CH2 4.11Å; L467-W523 HydrophobicContact CD2-CZ2 3.91Å; D519-W523 WeakPolarHBondContact O-CB 3.4Å; D519-W523 PolarHBondContact O-N 2.89Å; L520-W523 HydrophobicContact CD1-CE3 3.83Å; L520-W523 HydrophobicContact CD1-CZ3 4.02Å; L520-W523 PolarHBondContact O-N 3.44Å; L520-W523 VanDerWaalsContact O-N 3.17Å; W523-G525 VanDerWaalsContact C-N 3.3Å; W523-G525 PolarHBondContact O-N 2.92Å; W523-G527 CarbonylContact O-C 3.54Å; W523-T528 HydrophobicContact CD2-CG2 4.34Å; W523-T528 HydrophobicContact CG-CG2 4.33Å; W523-T528 HydrophobicContact CZ2-CG2 4.3Å; W523-T528 VanDerWaalsContact NE1-CG2 3.31Å; W523-T528 WeakPolarHBondContact O-CB 3.46Å; W523-T528 VanDerWaalsContact O-CG2 3.25Å; W523-T528 WeakPolarHBondContact O-CG2 3.42Å; W523-T528 PolarHBondContact O-N 3.14Å; W523-T528 PolarHBondContact O-OG1 3.34Å; W523-D535 HydrophobicContact CZ3-CB 4.16Å; W523-D535 WeakPolarHBondContact CZ3-OD2 3.49Å
524	A	94.6	Very high	93.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.6	-34.6	-177.5	0	0	0	0	0	113.2	L520 Y521 T528 G532 R533 D535	L520-A524 VanDerWaalsContact O-CB 3.28Å; L520-A524 WeakPolarHBondContact O-CB 3.49Å; L520-A524 PolarHBondContact O-N 3.38Å; Y521-A524 PolarHBondContact O-N 3.01Å; A524-T528 PolarHBondContact O-OG1 3.29Å; A524-T528 VanDerWaalsContact O-OG1 3.08Å; A524-G532 VanDerWaalsContact CB-O 3.3Å; A524-G532 WeakPolarHBondContact CB-O 3.49Å; A524-G532 CarbonylContact O-C 3.53Å; A524-G532 VanDerWaalsContact O-C 3.27Å; A524-G532 WeakPolarHBondContact O-CA 3.47Å; A524-G532 PolarHBondContact O-N 3.3Å; A524-R533 PolarHBondContact O-N 3.11Å; A524-D535 HydrophobicContact CB-CB 4.17Å
525	G	93.3	Very high	93.2	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.01	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-100.7	175	0	0	0	0	0	112.1	Y521 W523 G527 T528 H529 A530 L746	Y521-G525 PolarHBondContact O-N 2.75Å; W523-G525 VanDerWaalsContact C-N 3.3Å; W523-G525 PolarHBondContact O-N 2.92Å; G525-G527 VanDerWaalsContact C-N 3.3Å; G525-G527 PolarHBondContact O-N 3.16Å; G525-T528 PolarHBondContact O-N 3.11Å; G525-H529 PolarHBondContact O-N 2.92Å; G525-H529 VanDerWaalsContact O-N 3.12Å; G525-A530 PolarHBondContact O-N 3.42Å; G525-L746 VanDerWaalsContact C-CD1 3.43Å
526	L	92.2	Very high	93.1	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.016	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-59.7	-36.1	-170.5	-64.8	176.5	0	0	0	113.9	Y522 T528 H529 I744 L746	Y522-L526 HydrophobicContact CD2-CB 4.44Å; Y522-L526 HydrophobicContact CD2-CD1 4.23Å; Y522-L526 HydrophobicContact CE2-CB 4.15Å; Y522-L526 HydrophobicContact CE2-CD1 3.92Å; Y522-L526 PolarHBondContact O-N 3.2Å; L526-T528 VanDerWaalsContact C-N 3.3Å; L526-T528 PolarHBondContact O-N 2.62Å; L526-H529 PolarHBondContact O-N 3.24Å; L526-I744 HydrophobicContact CB-CD1 4.21Å; L526-I744 HydrophobicContact CD2-CD1 4.48Å; L526-I744 HydrophobicContact CD2-CG1 4.35Å; L526-L746 HydrophobicContact CD2-CD1 4.27Å; L526-L746 HydrophobicContact CD2-CG 4.15Å
527	G	90.1	Very high	93.1	Very high	6 Å²	6	13.9 Å²	13.9	6%	0.062	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-68.7	-25	-175.8	0	0	0	0	0	114.5	H173 Y522 W523 G525	H173-G527 PolarHBondContact NE2-O 2.85Å; Y522-G527 PolarHBondContact O-N 2.92Å; W523-G527 CarbonylContact O-C 3.54Å; G525-G527 VanDerWaalsContact C-N 3.3Å; G525-G527 PolarHBondContact O-N 3.16Å
528	T	90.5	Very high	93	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-119.7	13	180	54	0	0	0	0	112.1	L467 S470 S471 T474 W523 A524 G525 L526 A530 G531 G532	L467-T528 HydrophobicContact CD1-CG2 3.69Å; S470-T528 PolarHBondContact OG-O 2.89Å; S471-T528 VanDerWaalsContact OG-CB 3.32Å; S471-T528 WeakPolarHBondContact OG-CB 3.46Å; S471-T528 WeakPolarHBondContact OG-CG2 3.25Å; T474-T528 HydrophobicContact CG2-CG2 4.26Å; W523-T528 HydrophobicContact CD2-CG2 4.34Å; W523-T528 HydrophobicContact CG-CG2 4.33Å; W523-T528 HydrophobicContact CZ2-CG2 4.3Å; W523-T528 VanDerWaalsContact NE1-CG2 3.31Å; W523-T528 WeakPolarHBondContact O-CB 3.46Å; W523-T528 VanDerWaalsContact O-CG2 3.25Å; W523-T528 WeakPolarHBondContact O-CG2 3.42Å; W523-T528 PolarHBondContact O-N 3.14Å; W523-T528 PolarHBondContact O-OG1 3.34Å; A524-T528 PolarHBondContact O-OG1 3.29Å; A524-T528 VanDerWaalsContact O-OG1 3.08Å; G525-T528 PolarHBondContact O-N 3.11Å; L526-T528 VanDerWaalsContact C-N 3.3Å; L526-T528 PolarHBondContact O-N 2.62Å; T528-A530 VanDerWaalsContact C-N 3.28Å; T528-A530 PolarHBondContact O-N 3.17Å; T528-G531 PolarHBondContact O-N 3.38Å; T528-G532 PolarHBondContact OG1-N 2.84Å
529	H	90.7	Very high	92.6	Very high	62 Å²	62	11.8 Å²	11.8	29%	0.287	6%	0.056	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	43.3	-175.7	-53	-61.9	0	0	0	112.9	G525 L526 G531 Y674	G525-H529 PolarHBondContact O-N 2.92Å; G525-H529 VanDerWaalsContact O-N 3.12Å; L526-H529 PolarHBondContact O-N 3.24Å; H529-G531 PolarHBondContact O-N 3.38Å; H529-Y674 HydrophobicContact CB-CD2 4.4Å; H529-Y674 HydrophobicContact CB-CE2 4.43Å; H529-Y674 AromaticContact CE1-CE2 3.94Å; H529-Y674 AromaticContact CE1-CZ 3.68Å; H529-Y674 PolarHBondContact CE1-OH 3.45Å; H529-Y674 AromaticContact ND1-CD2 3.91Å; H529-Y674 AromaticContact ND1-CE2 3.13Å; H529-Y674 WeakPolarHBondContact ND1-CE2 3.14Å; H529-Y674 AromaticContact ND1-CZ 3.23Å; H529-Y674 PolarHBondContact ND1-OH 3.35Å
530	A	91.8	Very high	92.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	11.2	-172.3	0	0	0	0	0	115.7	G525 T528 G532 R533 L541 L672 L746 V787	G525-A530 PolarHBondContact O-N 3.42Å; T528-A530 VanDerWaalsContact C-N 3.28Å; T528-A530 PolarHBondContact O-N 3.17Å; A530-G532 VanDerWaalsContact C-N 3.28Å; A530-G532 PolarHBondContact O-N 3.4Å; A530-R533 VanDerWaalsContact O-CB 3.25Å; A530-R533 WeakPolarHBondContact O-CB 3.46Å; A530-R533 WeakPolarHBondContact O-CG 3.25Å; A530-R533 PolarHBondContact O-N 3.17Å; A530-L541 HydrophobicContact CB-CD1 3.78Å; A530-L672 HydrophobicContact CB-CD2 4.05Å; A530-L746 HydrophobicContact CB-CD1 3.89Å; A530-L746 HydrophobicContact CB-CD2 3.76Å; A530-L746 HydrophobicContact CB-CG 4.49Å; A530-V787 HydrophobicContact CB-CG1 4Å; A530-V787 HydrophobicContact CB-CG2 4.41Å
531	G	88.6	Confident	92.2	Very high	3 Å²	3	12.9 Å²	12.9	3%	0.031	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-38.4	170.2	0	0	0	0	0	113.2	T464 S466 L467 S470 T528 H529 R533	T464-G531 PolarHBondContact OG1-O 3.37Å; S466-G531 PolarHBondContact OG-O 3.08Å; L467-G531 PolarHBondContact N-O 3.1Å; S470-G531 VanDerWaalsContact OG-CA 3.24Å; S470-G531 WeakPolarHBondContact OG-CA 3.41Å; T528-G531 PolarHBondContact O-N 3.38Å; H529-G531 PolarHBondContact O-N 3.38Å; G531-R533 VanDerWaalsContact C-N 3.28Å; G531-R533 PolarHBondContact O-N 2.83Å
532	G	91	Very high	92.2	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.01	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	17.9	176.2	0	0	0	0	0	114.7	A524 T528 A530 F534 D535	A524-G532 VanDerWaalsContact CB-O 3.3Å; A524-G532 WeakPolarHBondContact CB-O 3.49Å; A524-G532 CarbonylContact O-C 3.53Å; A524-G532 VanDerWaalsContact O-C 3.27Å; A524-G532 WeakPolarHBondContact O-CA 3.47Å; A524-G532 PolarHBondContact O-N 3.3Å; T528-G532 PolarHBondContact OG1-N 2.84Å; A530-G532 VanDerWaalsContact C-N 3.28Å; A530-G532 PolarHBondContact O-N 3.4Å; G532-F534 PolarHBondContact O-N 2.88Å; G532-D535 PolarHBondContact O-N 3.49Å
533	R	91.9	Very high	92.2	Very high	27 Å²	27	11.6 Å²	11.6	10%	0.102	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-51.7	-29	-171.8	62.9	-175.6	-178.8	-169.1	-5.7	115	A524 A530 G531 D535 S536 L541 W542 I788	A524-R533 PolarHBondContact O-N 3.11Å; A530-R533 VanDerWaalsContact O-CB 3.25Å; A530-R533 WeakPolarHBondContact O-CB 3.46Å; A530-R533 WeakPolarHBondContact O-CG 3.25Å; A530-R533 PolarHBondContact O-N 3.17Å; G531-R533 VanDerWaalsContact C-N 3.28Å; G531-R533 PolarHBondContact O-N 2.83Å; R533-D535 PolarHBondContact O-N 3.12Å; R533-S536 WeakPolarHBondContact CA-OG 3.27Å; R533-S536 WeakPolarHBondContact O-CB 3.4Å; R533-S536 PolarHBondContact O-N 2.86Å; R533-S536 VanDerWaalsContact O-N 3.08Å; R533-S536 PolarHBondContact O-OG 3.41Å; R533-L541 HydrophobicContact CB-CD1 3.87Å; R533-W542 PolarHBondContact O-NE1 2.72Å; R533-I788 PolarHBondContact NH2-OXT 2.9Å
534	F	92.6	Very high	92.1	Very high	12 Å²	12	12.5 Å²	12.5	5%	0.053	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-57.3	-37.1	176.1	-85.3	-123.8	0	0	0	112.3	D207 G231 P250 T464 G532 S536 W542	D207-F534 HydrophobicContact CB-CZ 4.32Å; G231-F534 VanDerWaalsContact O-CE1 3.25Å; G231-F534 WeakPolarHBondContact O-CE1 3.44Å; P250-F534 HydrophobicContact CB-CB 4.3Å; P250-F534 HydrophobicContact CB-CD1 3.48Å; P250-F534 VanDerWaalsContact CB-CD1 3.48Å; P250-F534 HydrophobicContact CB-CE1 3.81Å; P250-F534 HydrophobicContact CB-CG 3.88Å; P250-F534 HydrophobicContact CB-CZ 4.48Å; T464-F534 HydrophobicContact CG2-CB 4.31Å; T464-F534 HydrophobicContact CG2-CD1 4.38Å; T464-F534 HydrophobicContact CG2-CD2 4.47Å; T464-F534 HydrophobicContact CG2-CG 4.14Å; G532-F534 PolarHBondContact O-N 2.88Å; F534-S536 VanDerWaalsContact C-N 3.32Å; F534-W542 HydrophobicContact CD2-CZ2 4.45Å
535	D	94.3	Very high	92.1	Very high	15 Å²	15	12.5 Å²	12.5	8%	0.08	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-88.6	-2.6	-178.3	-58.1	-40.4	0	0	0	113.1	F181 R314 L520 Y521 W523 A524 G532 R533	F181-D535 HydrophobicContact CE1-CB 4.41Å; F181-D535 HydrophobicContact CZ-CB 4.27Å; R314-D535 IonicContact CZ-OD1 2.66Å; R314-D535 IonicContact CZ-OD2 3.77Å; R314-D535 IonicContact NH1-OD1 3.73Å; R314-D535 PolarHBondContact NH1-OD1 3.26Å; R314-D535 IonicContact NH1-OD2 2.67Å; R314-D535 PolarHBondContact NH1-OD2 2.93Å; L520-D535 HydrophobicContact CD1-CB 4.19Å; Y521-D535 WeakPolarHBondContact CE1-O 3.44Å; W523-D535 HydrophobicContact CZ3-CB 4.16Å; W523-D535 WeakPolarHBondContact CZ3-OD2 3.49Å; A524-D535 HydrophobicContact CB-CB 4.17Å; G532-D535 PolarHBondContact O-N 3.49Å; R533-D535 PolarHBondContact O-N 3.12Å
536	S	93.2	Very high	92.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-87	-12.3	174	72.4	0	0	0	0	113.8	R533 F534 E539 T540	R533-S536 WeakPolarHBondContact CA-OG 3.27Å; R533-S536 WeakPolarHBondContact O-CB 3.4Å; R533-S536 PolarHBondContact O-N 2.86Å; R533-S536 VanDerWaalsContact O-N 3.08Å; R533-S536 PolarHBondContact O-OG 3.41Å; F534-S536 VanDerWaalsContact C-N 3.32Å; S536-E539 PolarHBondContact O-N 2.89Å; S536-E539 VanDerWaalsContact O-N 3.09Å; S536-T540 WeakPolarHBondContact CB-OG1 3.35Å; S536-T540 PolarHBondContact O-N 3.32Å; S536-T540 VanDerWaalsContact O-N 3.16Å; S536-T540 PolarHBondContact OG-O 3.49Å; S536-T540 VanDerWaalsContact OG-O 3.14Å
537	F	96	Very high	92.3	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.018	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	140.8	176.2	-177.5	-92.7	0	0	0	111.7	P250 H273 M276 W542 T545 A547	P250-F537 VanDerWaalsContact CD-CD2 3.46Å; P250-F537 HydrophobicContact CG-CB 3.65Å; P250-F537 HydrophobicContact CG-CD1 4.39Å; P250-F537 HydrophobicContact CG-CD2 4.23Å; P250-F537 HydrophobicContact CG-CG 3.85Å; H273-F537 HydrophobicContact CB-CD1 3.52Å; H273-F537 HydrophobicContact CB-CE1 3.7Å; H273-F537 AromaticContact CG-CD1 3.75Å; M276-F537 HydrophobicContact CB-CE1 4.28Å; M276-F537 HydrophobicContact CB-CZ 4.15Å; M276-F537 HydrophobicContact CG-CE1 3.92Å; M276-F537 HydrophobicContact CG-CZ 4.18Å; M276-F537 HydrophobicContact SD-CD1 4.49Å; M276-F537 HydrophobicContact SD-CE1 3.68Å; M276-F537 HydrophobicContact SD-CZ 3.79Å; F537-W542 HydrophobicContact CB-CG 4.22Å; F537-W542 HydrophobicContact CD2-CB 3.79Å; F537-W542 AromaticContact CD2-CD1 3.85Å; F537-W542 AromaticContact CD2-CD2 3.89Å; F537-W542 HydrophobicContact CD2-CD2 3.89Å; F537-W542 HydrophobicContact CD2-CE3 4.41Å; F537-W542 AromaticContact CD2-CG 3.58Å; F537-W542 HydrophobicContact CD2-CG 3.58Å; F537-W542 HydrophobicContact CE2-CB 4.37Å; F537-W542 HydrophobicContact CE2-CG 4.5Å; F537-W542 HydrophobicContact CG-CG 4.39Å; F537-T545 HydrophobicContact CE2-CG2 4.23Å; F537-A547 HydrophobicContact CE1-CB 4.17Å; F537-A547 HydrophobicContact CE2-CB 4.01Å; F537-A547 HydrophobicContact CZ-CB 3.44Å; F537-A547 VanDerWaalsContact CZ-CB 3.44Å
538	P	93.5	Very high	92.5	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.019	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.4	-0.6	-3.8	36.9	-36.6	0	0	0	113.4	W152 H273 A275 A547 G548	W152-P538 HydrophobicContact CZ2-CG 4.38Å; H273-P538 WeakPolarHBondContact CE1-CD 3.39Å; A275-P538 HydrophobicContact CB-CB 4.47Å; A275-P538 HydrophobicContact CB-CG 3.96Å; P538-A547 HydrophobicContact CB-CB 3.84Å; P538-G548 WeakPolarHBondContact O-CA 3.33Å
539	E	87.6	Confident	92.6	Very high	48 Å²	48	19.7 Å²	19.7	22%	0.224	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-39.6	-164.2	-66.9	-167	-160.7	0	0	114	K151 Y521 S536	K151-E539 IonicContact NZ-OE1 2.71Å; K151-E539 PolarHBondContact NZ-OE1 3.17Å; K151-E539 IonicContact NZ-OE2 3.34Å; Y521-E539 HydrophobicContact CE2-CB 4.29Å; Y521-E539 HydrophobicContact CE2-CG 3.95Å; Y521-E539 WeakPolarHBondContact CE2-OE1 3.25Å; Y521-E539 VanDerWaalsContact CE2-OE2 3.3Å; Y521-E539 WeakPolarHBondContact CE2-OE2 3.4Å; Y521-E539 PolarHBondContact OH-OE1 3.34Å; S536-E539 PolarHBondContact O-N 2.89Å; S536-E539 VanDerWaalsContact O-N 3.09Å
540	T	88.5	Confident	92.8	Very high	25 Å²	25	22.8 Å²	22.8	15%	0.153	12%	0.117	C	C	.	.	S	Bend	trans	-133.4	155.2	-177.4	60.9	0	0	0	0	110.4	S536 W542	S536-T540 WeakPolarHBondContact CB-OG1 3.35Å; S536-T540 PolarHBondContact O-N 3.32Å; S536-T540 VanDerWaalsContact O-N 3.16Å; S536-T540 PolarHBondContact OG-O 3.49Å; S536-T540 VanDerWaalsContact OG-O 3.14Å; T540-W542 PolarHBondContact O-N 3.26Å; T540-W542 VanDerWaalsContact O-N 3.11Å
541	L	92.5	Very high	92.9	Very high	8 Å²	8	23 Å²	23	4%	0.042	12%	0.119	C	C	.	.	S	Bend	trans	66.6	1.6	176.6	-46.5	179.5	0	0	0	117.7	A530 R533 P543 L672 Q732 L746	A530-L541 HydrophobicContact CB-CD1 3.78Å; R533-L541 HydrophobicContact CB-CD1 3.87Å; L541-P543 WeakPolarHBondContact O-CD 3.39Å; L541-L672 HydrophobicContact CD2-CD1 3.83Å; L541-Q732 VanDerWaalsContact CA-OE1 3.28Å; L541-L746 HydrophobicContact CD1-CD1 4.13Å; L541-L746 HydrophobicContact CD2-CB 3.92Å; L541-L746 HydrophobicContact CD2-CD1 3.96Å; L541-L746 HydrophobicContact CD2-CG 4.5Å
542	W	94.9	Very high	93.1	Very high	6 Å²	6	25 Å²	25	2%	0.023	13%	0.134	C	C	.	.			trans	-124.2	50.6	178.6	-62.2	92.1	0	0	0	114	I232 V247 P250 R533 F534 F537 T540 D544 T545 G548	I232-W542 HydrophobicContact CG1-CH2 4.38Å; V247-W542 HydrophobicContact CG1-CZ3 4.19Å; P250-W542 HydrophobicContact CB-CH2 3.95Å; P250-W542 HydrophobicContact CB-CZ2 3.9Å; P250-W542 HydrophobicContact CG-CH2 4.12Å; P250-W542 HydrophobicContact CG-CZ2 3.77Å; R533-W542 PolarHBondContact O-NE1 2.72Å; F534-W542 HydrophobicContact CD2-CZ2 4.45Å; F537-W542 HydrophobicContact CB-CG 4.22Å; F537-W542 HydrophobicContact CD2-CB 3.79Å; F537-W542 AromaticContact CD2-CD1 3.85Å; F537-W542 AromaticContact CD2-CD2 3.89Å; F537-W542 HydrophobicContact CD2-CD2 3.89Å; F537-W542 HydrophobicContact CD2-CE3 4.41Å; F537-W542 AromaticContact CD2-CG 3.58Å; F537-W542 HydrophobicContact CD2-CG 3.58Å; F537-W542 HydrophobicContact CE2-CB 4.37Å; F537-W542 HydrophobicContact CE2-CG 4.5Å; F537-W542 HydrophobicContact CG-CG 4.39Å; T540-W542 PolarHBondContact O-N 3.26Å; T540-W542 VanDerWaalsContact O-N 3.11Å; W542-D544 VanDerWaalsContact C-N 3.33Å; W542-D544 PolarHBondContact O-N 3.2Å; W542-T545 HydrophobicContact CB-CG2 4.21Å; W542-T545 HydrophobicContact CE3-CG2 3.96Å; W542-T545 PolarHBondContact O-N 3.21Å; W542-T545 PolarHBondContact O-OG1 3.21Å; W542-G548 WeakPolarHBondContact O-CA 3.41Å
543	P	94.1	Very high	93.3	Very high	16 Å²	16	29.7 Å²	29.7	10%	0.104	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.2	-168.9	29.9	-37.8	0	0	0	114.6	L541 Q549 W629 V631 I670 F748	L541-P543 WeakPolarHBondContact O-CD 3.39Å; P543-Q549 WeakPolarHBondContact O-CG 3.32Å; P543-W629 HydrophobicContact CB-CH2 3.88Å; P543-W629 HydrophobicContact CB-CZ3 3.98Å; P543-W629 HydrophobicContact CG-CZ3 4.17Å; P543-W629 VanDerWaalsContact O-CH2 3.24Å; P543-W629 WeakPolarHBondContact O-CH2 3.49Å; P543-V631 HydrophobicContact CG-CG2 3.82Å; P543-I670 HydrophobicContact CG-CD1 4.02Å; P543-F748 HydrophobicContact CG-CD2 4.17Å; P543-F748 HydrophobicContact CG-CE1 4.21Å; P543-F748 HydrophobicContact CG-CE2 3.77Å; P543-F748 HydrophobicContact CG-CZ 3.79Å
544	D	93.1	Very high	93.4	Very high	22 Å²	22	32.4 Å²	32.4	12%	0.118	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-20.9	-177.2	60.4	-29.8	0	0	0	113.8	W542 W629 V631 R633	W542-D544 VanDerWaalsContact C-N 3.33Å; W542-D544 PolarHBondContact O-N 3.2Å; D544-W629 HydrophobicContact CB-CE3 4.31Å; D544-W629 HydrophobicContact CB-CZ3 3.85Å; D544-V631 HydrophobicContact CB-CG2 4.06Å; D544-V631 PolarHBondContact OD2-N 2.81Å; D544-V631 VanDerWaalsContact OD2-N 3.16Å; D544-R633 IonicContact OD1-CZ 3.6Å; D544-R633 IonicContact OD1-NH2 3.59Å; D544-R633 PolarHBondContact OD1-NH2 2.86Å; D544-R633 IonicContact OD2-CZ 2.71Å; D544-R633 IonicContact OD2-NH1 2.83Å; D544-R633 PolarHBondContact OD2-NH1 3.18Å; D544-R633 IonicContact OD2-NH2 3.74Å; D544-R633 PolarHBondContact OD2-NH2 3.15Å
545	T	94.4	Very high	93.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-73.5	145.8	177.7	69	0	0	0	0	111.1	V247 F537 W542 A547 G548 Q549	V247-T545 HydrophobicContact CB-CG2 4.34Å; V247-T545 HydrophobicContact CG1-CG2 4.01Å; V247-T545 WeakPolarHBondContact O-CG2 3.24Å; F537-T545 HydrophobicContact CE2-CG2 4.23Å; W542-T545 HydrophobicContact CB-CG2 4.21Å; W542-T545 HydrophobicContact CE3-CG2 3.96Å; W542-T545 PolarHBondContact O-N 3.21Å; W542-T545 PolarHBondContact O-OG1 3.21Å; T545-A547 PolarHBondContact O-N 3.42Å; T545-G548 WeakPolarHBondContact O-CA 3.46Å; T545-G548 PolarHBondContact O-N 2.6Å; T545-G548 PolarHBondContact OG1-N 3.48Å; T545-Q549 WeakPolarHBondContact O-CG 3.42Å; T545-Q549 PolarHBondContact O-N 2.73Å
546	V	93.3	Very high	93.4	Very high	78 Å²	78	34 Å²	34	47%	0.473	18%	0.183	S	C	.	.	H	α-helix	trans	-56.6	-39.5	176.8	177.5	0	0	0	0	111.6	G548 Q549 K550	V546-G548 VanDerWaalsContact C-N 3.35Å; V546-Q549 PolarHBondContact O-N 2.88Å; V546-K550 HydrophobicContact CG1-CD 4.39Å; V546-K550 WeakPolarHBondContact O-CG 3.46Å; V546-K550 PolarHBondContact O-N 2.79Å
547	A	95.1	Very high	93.5	Very high	9 Å²	9	39.9 Å²	39.9	7%	0.074	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-38.7	176.6	0	0	0	0	0	112.1	A275 F537 P538 T545 S551	A275-A547 HydrophobicContact CB-CB 4.03Å; F537-A547 HydrophobicContact CE1-CB 4.17Å; F537-A547 HydrophobicContact CE2-CB 4.01Å; F537-A547 HydrophobicContact CZ-CB 3.44Å; F537-A547 VanDerWaalsContact CZ-CB 3.44Å; P538-A547 HydrophobicContact CB-CB 3.84Å; T545-A547 PolarHBondContact O-N 3.42Å; A547-S551 WeakPolarHBondContact O-CB 3.26Å; A547-S551 PolarHBondContact O-N 3.04Å
548	G	94.4	Very high	93.5	Very high	5 Å²	5	45.8 Å²	45.8	5%	0.052	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-43.1	175.1	0	0	0	0	0	112.8	P538 W542 T545 V546 S551 A552	P538-G548 WeakPolarHBondContact O-CA 3.33Å; W542-G548 WeakPolarHBondContact O-CA 3.41Å; T545-G548 WeakPolarHBondContact O-CA 3.46Å; T545-G548 PolarHBondContact O-N 2.6Å; T545-G548 PolarHBondContact OG1-N 3.48Å; V546-G548 VanDerWaalsContact C-N 3.35Å; G548-S551 PolarHBondContact O-N 2.74Å; G548-A552 WeakPolarHBondContact O-CB 3.47Å; G548-A552 PolarHBondContact O-N 3.11Å
549	Q	93.7	Very high	93.5	Very high	70 Å²	70	48.9 Å²	48.9	33%	0.327	25%	0.249	S	C	.	.	H	α-helix	trans	-60.2	-49.9	174.8	-67.4	176.4	-7.1	0	0	111.5	P543 T545 V546 S551 A552 E553	P543-Q549 WeakPolarHBondContact O-CG 3.32Å; T545-Q549 WeakPolarHBondContact O-CG 3.42Å; T545-Q549 PolarHBondContact O-N 2.73Å; V546-Q549 PolarHBondContact O-N 2.88Å; Q549-S551 VanDerWaalsContact C-N 3.28Å; Q549-S551 PolarHBondContact O-N 2.88Å; Q549-A552 WeakPolarHBondContact O-CB 3.35Å; Q549-A552 PolarHBondContact O-N 3.34Å; Q549-A552 VanDerWaalsContact O-N 3.08Å; Q549-E553 WeakPolarHBondContact O-CG 3.39Å; Q549-E553 PolarHBondContact O-N 3.36Å
550	K	94.6	Very high	93.8	Very high	126 Å²	126	50.2 Å²	50.2	55%	0.548	26%	0.258	S	S	.	.	H	α-helix	trans	-58	-40.5	175	-72.6	177.8	-179.8	177.5	0	112.2	V546 I554	V546-K550 HydrophobicContact CG1-CD 4.39Å; V546-K550 WeakPolarHBondContact O-CG 3.46Å; V546-K550 PolarHBondContact O-N 2.79Å; K550-I554 WeakPolarHBondContact O-CD1 3.45Å; K550-I554 WeakPolarHBondContact O-CG1 3.47Å; K550-I554 PolarHBondContact O-N 3.16Å
551	S	93.9	Very high	94.1	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-65.5	-42.2	175.9	-172.2	0	0	0	0	111.7	A547 G548 Q549 I554 V555	A547-S551 WeakPolarHBondContact O-CB 3.26Å; A547-S551 PolarHBondContact O-N 3.04Å; G548-S551 PolarHBondContact O-N 2.74Å; Q549-S551 VanDerWaalsContact C-N 3.28Å; Q549-S551 PolarHBondContact O-N 2.88Å; S551-I554 PolarHBondContact O-N 3.31Å; S551-V555 WeakPolarHBondContact O-CG2 3.32Å; S551-V555 PolarHBondContact O-N 2.91Å
552	A	93.3	Very high	94.2	Very high	43 Å²	43	60.1 Å²	60.1	36%	0.355	30%	0.302	S	S	.	.	H	α-helix	trans	-61.3	-45.2	176.8	0	0	0	0	0	111.2	G548 Q549 I554 V555 T556	G548-A552 WeakPolarHBondContact O-CB 3.47Å; G548-A552 PolarHBondContact O-N 3.11Å; Q549-A552 WeakPolarHBondContact O-CB 3.35Å; Q549-A552 PolarHBondContact O-N 3.34Å; Q549-A552 VanDerWaalsContact O-N 3.08Å; A552-I554 VanDerWaalsContact C-N 3.33Å; A552-I554 PolarHBondContact O-N 3.26Å; A552-V555 CarbonylContact O-C 3.52Å; A552-V555 PolarHBondContact O-N 2.85Å; A552-V555 VanDerWaalsContact O-N 3.15Å; A552-T556 WeakPolarHBondContact O-CG2 3.1Å; A552-T556 PolarHBondContact O-N 3.08Å
553	E	94.1	Very high	94	Very high	100 Å²	100	62.1 Å²	62.1	47%	0.467	31%	0.311	S	S	.	.	H	α-helix	trans	-58.9	-39.3	175.6	-71.8	173.7	-157.3	0	0	113.5	Q549 T556 K557	Q549-E553 WeakPolarHBondContact O-CG 3.39Å; Q549-E553 PolarHBondContact O-N 3.36Å; E553-T556 WeakPolarHBondContact CA-OG1 3.43Å; E553-T556 PolarHBondContact O-OG1 2.72Å; E553-K557 WeakPolarHBondContact O-CB 3.02Å; E553-K557 VanDerWaalsContact O-CG 3.26Å; E553-K557 WeakPolarHBondContact O-CG 3.42Å; E553-K557 PolarHBondContact O-N 2.66Å; E553-K557 VanDerWaalsContact O-N 3.08Å
554	I	94.3	Very high	93.9	Very high	85 Å²	85	66.1 Å²	66.1	44%	0.436	33%	0.331	S	S	.	.	H	α-helix	trans	-64.8	-46.9	175.6	-68.8	161.6	0	0	0	109.6	K550 S551 A552 T556 K557 E558	K550-I554 WeakPolarHBondContact O-CD1 3.45Å; K550-I554 WeakPolarHBondContact O-CG1 3.47Å; K550-I554 PolarHBondContact O-N 3.16Å; S551-I554 PolarHBondContact O-N 3.31Å; A552-I554 VanDerWaalsContact C-N 3.33Å; A552-I554 PolarHBondContact O-N 3.26Å; I554-T556 VanDerWaalsContact C-N 3.33Å; I554-T556 PolarHBondContact O-N 3.34Å; I554-K557 PolarHBondContact O-N 2.8Å; I554-E558 WeakPolarHBondContact O-CG 3.42Å; I554-E558 PolarHBondContact O-N 2.91Å
555	V	93.2	Very high	94	Very high	39 Å²	39	75.2 Å²	75.2	24%	0.236	36%	0.364	C	S	.	.	H	α-helix	trans	-63.9	-38	179.3	173.3	0	0	0	0	111.5	S551 A552 E558 K559	S551-V555 WeakPolarHBondContact O-CG2 3.32Å; S551-V555 PolarHBondContact O-N 2.91Å; A552-V555 CarbonylContact O-C 3.52Å; A552-V555 PolarHBondContact O-N 2.85Å; A552-V555 VanDerWaalsContact O-N 3.15Å; V555-E558 PolarHBondContact O-N 3.05Å; V555-K559 HydrophobicContact CG1-CD 4.13Å; V555-K559 HydrophobicContact CG1-CG 4.49Å; V555-K559 WeakPolarHBondContact O-CB 3.49Å; V555-K559 WeakPolarHBondContact O-CG 3.06Å; V555-K559 PolarHBondContact O-N 2.93Å
556	T	94.4	Very high	93.9	Very high	21 Å²	21	78.2 Å²	78.2	13%	0.129	38%	0.379	C	S	.	.	H	α-helix	trans	-65.2	-46.3	177.8	66.9	0	0	0	0	110.7	A552 E553 I554 E558 K559 L560 F583 V584	A552-T556 WeakPolarHBondContact O-CG2 3.1Å; A552-T556 PolarHBondContact O-N 3.08Å; E553-T556 WeakPolarHBondContact CA-OG1 3.43Å; E553-T556 PolarHBondContact O-OG1 2.72Å; I554-T556 VanDerWaalsContact C-N 3.33Å; I554-T556 PolarHBondContact O-N 3.34Å; T556-E558 VanDerWaalsContact C-N 3.34Å; T556-E558 PolarHBondContact O-N 3.44Å; T556-K559 PolarHBondContact O-N 3.24Å; T556-L560 WeakPolarHBondContact O-CB 3.44Å; T556-L560 WeakPolarHBondContact O-CG 3.14Å; T556-L560 PolarHBondContact O-N 2.7Å; T556-F583 WeakPolarHBondContact CG2-O 3.49Å; T556-V584 HydrophobicContact CG2-CG2 3.91Å
557	K	95.5	Very high	93.9	Very high	124 Å²	124	77.6 Å²	77.6	54%	0.539	38%	0.376	S	S	.	.	H	α-helix	trans	-59	-43.3	175	-72.5	169.1	-175.7	167.8	0	111.6	E553 I554 N561	E553-K557 WeakPolarHBondContact O-CB 3.02Å; E553-K557 VanDerWaalsContact O-CG 3.26Å; E553-K557 WeakPolarHBondContact O-CG 3.42Å; E553-K557 PolarHBondContact O-N 2.66Å; E553-K557 VanDerWaalsContact O-N 3.08Å; I554-K557 PolarHBondContact O-N 2.8Å; K557-N561 WeakPolarHBondContact O-CB 3.28Å; K557-N561 PolarHBondContact O-N 3.33Å; K557-N561 PolarHBondContact O-ND2 2.73Å; K557-N561 VanDerWaalsContact O-ND2 3.14Å
558	E	94.6	Very high	93.7	Very high	127 Å²	127	83.4 Å²	83.4	59%	0.593	41%	0.407	S	S	*	.	H	α-helix	trans	-63	-44	176.4	-74.3	-177.2	172.6	0	0	112.6	I554 V555 T556 N561 K562	I554-E558 WeakPolarHBondContact O-CG 3.42Å; I554-E558 PolarHBondContact O-N 2.91Å; V555-E558 PolarHBondContact O-N 3.05Å; T556-E558 VanDerWaalsContact C-N 3.34Å; T556-E558 PolarHBondContact O-N 3.44Å; E558-N561 PolarHBondContact O-N 3.4Å; E558-K562 WeakPolarHBondContact O-CB 3.38Å; E558-K562 PolarHBondContact O-N 2.82Å
559	K	93.5	Very high	93.4	Very high	69 Å²	69	89.8 Å²	89.8	30%	0.3	44%	0.439	S	S	.	.	H	α-helix	trans	-68.1	-41.6	178.3	-74	-179.3	-174.8	171.8	0	112.2	V555 T556 K562 F563 F583 Y686	V555-K559 HydrophobicContact CG1-CD 4.13Å; V555-K559 HydrophobicContact CG1-CG 4.49Å; V555-K559 WeakPolarHBondContact O-CB 3.49Å; V555-K559 WeakPolarHBondContact O-CG 3.06Å; V555-K559 PolarHBondContact O-N 2.93Å; T556-K559 PolarHBondContact O-N 3.24Å; K559-K562 PolarHBondContact O-N 2.67Å; K559-F563 WeakPolarHBondContact O-CB 3.38Å; K559-F563 PolarHBondContact O-N 2.85Å; K559-F583 HydrophobicContact CB-CB 4.39Å; K559-F583 HydrophobicContact CB-CD1 3.85Å; K559-F583 HydrophobicContact CB-CD2 4.4Å; K559-F583 HydrophobicContact CB-CE1 4.22Å; K559-F583 HydrophobicContact CB-CG 3.95Å; K559-F583 HydrophobicContact CD-CD1 4Å; K559-Y686 HydrophobicContact CD-CE2 3.77Å; K559-Y686 WeakPolarHBondContact CD-OH 3.44Å; K559-Y686 VanDerWaalsContact NZ-CZ 3.3Å; K559-Y686 PolarHBondContact NZ-OH 2.86Å
560	L	93.8	Very high	93.2	Very high	76 Å²	76	91.6 Å²	91.6	40%	0.398	45%	0.451	S	S	.	.	H	α-helix	trans	-60.2	-47.7	173.8	-77.4	169.6	0	0	0	111.3	T556 K562 F563 I564 F583	T556-L560 WeakPolarHBondContact O-CB 3.44Å; T556-L560 WeakPolarHBondContact O-CG 3.14Å; T556-L560 PolarHBondContact O-N 2.7Å; L560-K562 VanDerWaalsContact C-N 3.28Å; L560-K562 PolarHBondContact O-N 3.32Å; L560-F563 WeakPolarHBondContact O-CB 3.08Å; L560-F563 PolarHBondContact O-N 2.9Å; L560-F563 VanDerWaalsContact O-N 3.11Å; L560-I564 VanDerWaalsContact O-CG1 3.32Å; L560-I564 WeakPolarHBondContact O-CG1 3.44Å; L560-I564 PolarHBondContact O-N 3.19Å; L560-F583 HydrophobicContact CD2-CD2 3.6Å; L560-F583 HydrophobicContact CD2-CE2 3.89Å; L560-F583 HydrophobicContact CG-CD2 3.87Å; L560-F583 HydrophobicContact CG-CE2 4.43Å
561	N	95.6	Very high	93	Very high	88 Å²	88	90 Å²	90	47%	0.471	44%	0.441	S	S	.	.	H	α-helix	trans	-60.2	-39.3	176.3	-76.6	-29.1	0	0	0	112.2	K557 E558 R565	K557-N561 WeakPolarHBondContact O-CB 3.28Å; K557-N561 PolarHBondContact O-N 3.33Å; K557-N561 PolarHBondContact O-ND2 2.73Å; K557-N561 VanDerWaalsContact O-ND2 3.14Å; E558-N561 PolarHBondContact O-N 3.4Å; N561-R565 VanDerWaalsContact O-CG 3.25Å; N561-R565 WeakPolarHBondContact O-CG 3.48Å; N561-R565 PolarHBondContact O-N 3.34Å
562	K	93.7	Very high	92.6	Very high	152 Å²	152	91.9 Å²	91.9	66%	0.661	45%	0.453	S	S	*	.	H	α-helix	trans	-66	-41.2	174.8	-172.3	-178.4	177.7	-174.3	0	111.7	E558 K559 L560 R565	E558-K562 WeakPolarHBondContact O-CB 3.38Å; E558-K562 PolarHBondContact O-N 2.82Å; K559-K562 PolarHBondContact O-N 2.67Å; L560-K562 VanDerWaalsContact C-N 3.28Å; L560-K562 PolarHBondContact O-N 3.32Å; K562-R565 PolarHBondContact O-N 3.28Å
563	F	91.4	Very high	92.4	Very high	48 Å²	48	93.2 Å²	93.2	21%	0.211	45%	0.454	C	S	.	.	H	α-helix	trans	-64.4	-46.9	178.4	176	-98.5	0	0	0	111.9	K559 L560 R565 L566 R571 F574 F583	K559-F563 WeakPolarHBondContact O-CB 3.38Å; K559-F563 PolarHBondContact O-N 2.85Å; L560-F563 WeakPolarHBondContact O-CB 3.08Å; L560-F563 PolarHBondContact O-N 2.9Å; L560-F563 VanDerWaalsContact O-N 3.11Å; F563-R565 PolarHBondContact O-N 2.8Å; F563-L566 WeakPolarHBondContact O-CB 3.47Å; F563-L566 PolarHBondContact O-N 2.53Å; F563-R571 HydrophobicContact CE2-CB 3.92Å; F563-R571 HydrophobicContact CE2-CG 4.24Å; F563-R571 HydrophobicContact CZ-CB 3.92Å; F563-R571 HydrophobicContact CZ-CG 4.22Å; F563-F574 AromaticContact CD2-CE2 3.94Å; F563-F574 HydrophobicContact CD2-CE2 3.94Å; F563-F574 HydrophobicContact CE2-CD2 4.19Å; F563-F574 AromaticContact CE2-CE2 3.44Å; F563-F574 HydrophobicContact CE2-CE2 3.44Å; F563-F574 VanDerWaalsContact CE2-CE2 3.44Å; F563-F574 HydrophobicContact CE2-CZ 4.24Å; F563-F574 HydrophobicContact CZ-CD2 4.25Å; F563-F574 AromaticContact CZ-CE2 3.9Å; F563-F574 HydrophobicContact CZ-CE2 3.9Å; F563-F583 HydrophobicContact CB-CE2 4.02Å; F563-F583 HydrophobicContact CB-CZ 4Å; F563-F583 HydrophobicContact CD2-CZ 4.19Å; F563-F583 HydrophobicContact CG-CE2 4.19Å; F563-F583 HydrophobicContact CG-CZ 4.19Å
564	I	91.7	Very high	92.1	Very high	101 Å²	101	89.6 Å²	89.6	52%	0.518	44%	0.437	S	S	.	.	H	α-helix	trans	-61.7	-31.3	178.1	-65.5	163.8	0	0	0	111.3	L560 L566 R571	L560-I564 VanDerWaalsContact O-CG1 3.32Å; L560-I564 WeakPolarHBondContact O-CG1 3.44Å; L560-I564 PolarHBondContact O-N 3.19Å; I564-L566 VanDerWaalsContact C-N 3.29Å; I564-L566 PolarHBondContact O-N 3.36Å; I564-R571 PolarHBondContact O-NH2 2.81Å
565	R	94.8	Very high	91.7	Very high	213 Å²	213	90.7 Å²	90.7	80%	0.804	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-17	176.4	-74.3	173.4	-176.2	-179.5	3.1	114.5	N561 K562 F563	N561-R565 VanDerWaalsContact O-CG 3.25Å; N561-R565 WeakPolarHBondContact O-CG 3.48Å; N561-R565 PolarHBondContact O-N 3.34Å; K562-R565 PolarHBondContact O-N 3.28Å; F563-R565 PolarHBondContact O-N 2.8Å
566	L	92.8	Very high	91.4	Very high	63 Å²	63	96.1 Å²	96.1	33%	0.33	47%	0.468	S	S	.	.	S	Bend	trans	-69	144.4	175.6	-65	171.3	0	0	0	109.7	F563 I564 R571	F563-L566 WeakPolarHBondContact O-CB 3.47Å; F563-L566 PolarHBondContact O-N 2.53Å; I564-L566 VanDerWaalsContact C-N 3.29Å; I564-L566 PolarHBondContact O-N 3.36Å; L566-R571 HydrophobicContact CB-CG 3.79Å; L566-R571 VanDerWaalsContact O-CZ 3.23Å; L566-R571 PolarHBondContact O-NE 2.8Å; L566-R571 PolarHBondContact O-NH2 2.9Å
567	P	94	Very high	90.9	Very high	64 Å²	64	96.9 Å²	96.9	42%	0.416	47%	0.47	S	S	.	.			trans	-65.8	154.8	170.7	30	-35.2	0	0	0	110.4	N569 L570 R571	P567-N569 VanDerWaalsContact C-N 3.27Å; P567-N569 WeakPolarHBondContact CB-OD1 3.45Å; P567-N569 WeakPolarHBondContact CG-OD1 3.49Å; P567-N569 PolarHBondContact O-N 3Å; P567-N569 VanDerWaalsContact O-N 3.16Å; P567-L570 HydrophobicContact CG-CB 3.97Å; P567-L570 HydrophobicContact CG-CD1 3.67Å; P567-L570 HydrophobicContact CG-CG 3.85Å; P567-L570 PolarHBondContact O-N 3.36Å; P567-R571 PolarHBondContact O-N 2.78Å
568	N	90	Very high	90.3	Very high	132 Å²	132	93.4 Å²	93.4	71%	0.706	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-55.6	-39.1	-169.5	-162.1	39.5	0	0	0	113.5	L570 R571	N568-L570 VanDerWaalsContact C-N 3.27Å; N568-L570 PolarHBondContact O-N 3.03Å; N568-R571 PolarHBondContact O-N 3.35Å
569	N	89.1	Confident	89.9	Confident	138 Å²	138	88.1 Å²	88.1	74%	0.738	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-69.3	-18.5	178.2	67.2	-37.5	0	0	0	114.6	P567	P567-N569 VanDerWaalsContact C-N 3.27Å; P567-N569 WeakPolarHBondContact CB-OD1 3.45Å; P567-N569 WeakPolarHBondContact CG-OD1 3.49Å; P567-N569 PolarHBondContact O-N 3Å; P567-N569 VanDerWaalsContact O-N 3.16Å
570	L	89.8	Confident	89.5	Confident	108 Å²	108	89.6 Å²	89.6	57%	0.565	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-103	-0.8	177.2	-64.2	-177.7	0	0	0	113	P567 N568 P572	P567-L570 HydrophobicContact CG-CB 3.97Å; P567-L570 HydrophobicContact CG-CD1 3.67Å; P567-L570 HydrophobicContact CG-CG 3.85Å; P567-L570 PolarHBondContact O-N 3.36Å; N568-L570 VanDerWaalsContact C-N 3.27Å; N568-L570 PolarHBondContact O-N 3.03Å; L570-P572 VanDerWaalsContact O-CD 3.28Å; L570-P572 WeakPolarHBondContact O-CD 3.42Å
571	R	88.9	Confident	89.2	Confident	94 Å²	94	89.8 Å²	89.8	36%	0.355	46%	0.459	S	S	.	.	S	Bend	trans	-82.9	117.2	175.1	-71.5	178.6	-167.1	159.2	3	109.1	F563 I564 L566 P567 N568 D573	F563-R571 HydrophobicContact CE2-CB 3.92Å; F563-R571 HydrophobicContact CE2-CG 4.24Å; F563-R571 HydrophobicContact CZ-CB 3.92Å; F563-R571 HydrophobicContact CZ-CG 4.22Å; I564-R571 PolarHBondContact O-NH2 2.81Å; L566-R571 HydrophobicContact CB-CG 3.79Å; L566-R571 VanDerWaalsContact O-CZ 3.23Å; L566-R571 PolarHBondContact O-NE 2.8Å; L566-R571 PolarHBondContact O-NH2 2.9Å; P567-R571 PolarHBondContact O-N 2.78Å; N568-R571 PolarHBondContact O-N 3.35Å; R571-D573 PolarHBondContact O-N 2.85Å
572	P	86.8	Confident	88.8	Confident	45 Å²	45	86.8 Å²	86.8	29%	0.292	44%	0.444	S	S	.	.			trans	-59.4	134	171.6	-25.3	34.5	0	0	0	111.3	L570 F574 T775	L570-P572 VanDerWaalsContact O-CD 3.28Å; L570-P572 WeakPolarHBondContact O-CD 3.42Å; P572-F574 HydrophobicContact CB-CE1 4.22Å; P572-F574 HydrophobicContact CB-CZ 4.18Å; P572-F574 PolarHBondContact O-N 3.02Å; P572-T775 HydrophobicContact CB-CG2 4.35Å; P572-T775 HydrophobicContact CG-CG2 4.2Å
573	D	87.8	Confident	88.8	Confident	70 Å²	70	81 Å²	81	37%	0.374	42%	0.419	S	S	.	.			trans	-85.5	96.4	171.9	-176	-0.8	0	0	0	109.6	R571 T575 K576 F577	R571-D573 PolarHBondContact O-N 2.85Å; D573-T575 PolarHBondContact O-N 2.91Å; D573-T575 PolarHBondContact OD1-N 3.45Å; D573-T575 PolarHBondContact OD1-OG1 2.87Å; D573-K576 HydrophobicContact CB-CD 4.16Å; D573-K576 HydrophobicContact CB-CG 4.33Å; D573-K576 PolarHBondContact O-N 2.94Å; D573-K576 WeakPolarHBondContact OD2-CE 3.48Å; D573-K576 WeakPolarHBondContact OD2-CG 3.44Å; D573-K576 IonicContact OD2-NZ 3.2Å; D573-F577 VanDerWaalsContact O-CD2 3.26Å; D573-F577 WeakPolarHBondContact O-CD2 3.3Å
574	F	87.8	Confident	88.9	Confident	25 Å²	25	82.2 Å²	82.2	11%	0.11	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-66.4	-23.1	-176.7	-66.8	-66.4	0	0	0	113.5	F563 P572 K576 F577 G578 I579 P582 F583 T775	F563-F574 AromaticContact CD2-CE2 3.94Å; F563-F574 HydrophobicContact CD2-CE2 3.94Å; F563-F574 HydrophobicContact CE2-CD2 4.19Å; F563-F574 AromaticContact CE2-CE2 3.44Å; F563-F574 HydrophobicContact CE2-CE2 3.44Å; F563-F574 VanDerWaalsContact CE2-CE2 3.44Å; F563-F574 HydrophobicContact CE2-CZ 4.24Å; F563-F574 HydrophobicContact CZ-CD2 4.25Å; F563-F574 AromaticContact CZ-CE2 3.9Å; F563-F574 HydrophobicContact CZ-CE2 3.9Å; P572-F574 HydrophobicContact CB-CE1 4.22Å; P572-F574 HydrophobicContact CB-CZ 4.18Å; P572-F574 PolarHBondContact O-N 3.02Å; F574-K576 VanDerWaalsContact C-N 3.29Å; F574-K576 PolarHBondContact O-N 3.38Å; F574-F577 PolarHBondContact O-N 3.08Å; F574-F577 VanDerWaalsContact O-N 3.1Å; F574-G578 PolarHBondContact O-N 3.4Å; F574-I579 CarbonylContact C-O 3.57Å; F574-I579 HydrophobicContact CB-CB 4.15Å; F574-I579 HydrophobicContact CB-CG2 4.44Å; F574-I579 HydrophobicContact CD1-CD1 4.44Å; F574-I579 PolarHBondContact O-N 3.24Å; F574-P582 HydrophobicContact CB-CB 4.4Å; F574-P582 HydrophobicContact CD1-CB 3.71Å; F574-P582 HydrophobicContact CD2-CB 3.65Å; F574-P582 HydrophobicContact CD2-CG 3.68Å; F574-P582 HydrophobicContact CE1-CB 3.76Å; F574-P582 HydrophobicContact CE2-CB 3.68Å; F574-P582 HydrophobicContact CE2-CG 3.87Å; F574-P582 HydrophobicContact CG-CB 3.65Å; F574-P582 HydrophobicContact CG-CG 4.06Å; F574-P582 HydrophobicContact CZ-CB 3.74Å; F574-P582 HydrophobicContact CZ-CG 4.43Å; F574-F583 HydrophobicContact CE2-CE2 4.41Å; F574-F583 HydrophobicContact CE2-CZ 4.01Å; F574-F583 HydrophobicContact CZ-CE1 4.35Å; F574-F583 AromaticContact CZ-CZ 3.99Å; F574-F583 HydrophobicContact CZ-CZ 3.99Å; F574-T775 HydrophobicContact CE1-CG2 4.3Å
575	T	87.3	Confident	88.9	Confident	108 Å²	108	79.3 Å²	79.3	66%	0.663	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-64.7	-36	178.5	67.7	0	0	0	0	111.6	D573 F577 G578	D573-T575 PolarHBondContact O-N 2.91Å; D573-T575 PolarHBondContact OD1-N 3.45Å; D573-T575 PolarHBondContact OD1-OG1 2.87Å; T575-F577 PolarHBondContact O-N 2.87Å; T575-G578 PolarHBondContact O-N 3.09Å
576	K	86.4	Confident	88.7	Confident	153 Å²	153	69.8 Å²	69.8	67%	0.665	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-63.5	-26.9	174.7	-67.6	-178.8	-180	177.1	0	113.4	D573 F574 G578 H777	D573-K576 HydrophobicContact CB-CD 4.16Å; D573-K576 HydrophobicContact CB-CG 4.33Å; D573-K576 PolarHBondContact O-N 2.94Å; D573-K576 WeakPolarHBondContact OD2-CE 3.48Å; D573-K576 WeakPolarHBondContact OD2-CG 3.44Å; D573-K576 IonicContact OD2-NZ 3.2Å; F574-K576 VanDerWaalsContact C-N 3.29Å; F574-K576 PolarHBondContact O-N 3.38Å; K576-G578 VanDerWaalsContact C-N 3.31Å; K576-H777 PolarHBondContact O-CE1 3.4Å
577	F	83.3	Confident	88.7	Confident	36 Å²	36	67.2 Å²	67.2	16%	0.158	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-89.7	3.8	175.3	-59	-77.9	0	0	0	112.7	D573 F574 T575 I579 H777	D573-F577 VanDerWaalsContact O-CD2 3.26Å; D573-F577 WeakPolarHBondContact O-CD2 3.3Å; F574-F577 PolarHBondContact O-N 3.08Å; F574-F577 VanDerWaalsContact O-N 3.1Å; T575-F577 PolarHBondContact O-N 2.87Å; F577-I579 VanDerWaalsContact C-N 3.28Å; F577-I579 HydrophobicContact CB-CD1 3.8Å; F577-I579 HydrophobicContact CB-CG1 4.06Å; F577-I579 PolarHBondContact O-N 3.42Å; F577-H777 AromaticContact CD1-CD2 3.88Å; F577-H777 AromaticContact CD1-CE1 3.51Å; F577-H777 AromaticContact CD1-ND1 3.81Å; F577-H777 AromaticContact CD1-NE2 3.54Å; F577-H777 AromaticContact CE1-CD2 3.41Å; F577-H777 VanDerWaalsContact CE1-CD2 3.41Å; F577-H777 WeakPolarHBondContact CE1-CD2 3.46Å; F577-H777 AromaticContact CE1-CE1 3.78Å; F577-H777 AromaticContact CE1-CG 3.94Å; F577-H777 AromaticContact CE1-NE2 3.29Å; F577-H777 VanDerWaalsContact CE1-NE2 3.29Å; F577-H777 WeakPolarHBondContact CE1-NE2 3.35Å
578	G	83.3	Confident	88.6	Confident	51 Å²	51	66.4 Å²	66.4	53%	0.526	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	29.7	-174.9	0	0	0	0	0	112.8	F574 T575 K576 R688	F574-G578 PolarHBondContact O-N 3.4Å; T575-G578 PolarHBondContact O-N 3.09Å; K576-G578 VanDerWaalsContact C-N 3.31Å; G578-R688 VanDerWaalsContact O-CZ 3.27Å; G578-R688 PolarHBondContact O-NH1 2.93Å; G578-R688 PolarHBondContact O-NH2 3.24Å
579	I	86.1	Confident	88.5	Confident	17 Å²	17	63.5 Å²	63.5	9%	0.087	34%	0.342	C	S	.	.			trans	-106.4	113.1	-178.2	-60.1	167.7	0	0	0	110	F574 F577 P582 P774	F574-I579 CarbonylContact C-O 3.57Å; F574-I579 HydrophobicContact CB-CB 4.15Å; F574-I579 HydrophobicContact CB-CG2 4.44Å; F574-I579 HydrophobicContact CD1-CD1 4.44Å; F574-I579 PolarHBondContact O-N 3.24Å; F577-I579 VanDerWaalsContact C-N 3.28Å; F577-I579 HydrophobicContact CB-CD1 3.8Å; F577-I579 HydrophobicContact CB-CG1 4.06Å; F577-I579 PolarHBondContact O-N 3.42Å; I579-P582 HydrophobicContact CG2-CB 3.99Å; I579-P774 HydrophobicContact CD1-CB 4.01Å; I579-P774 VanDerWaalsContact CD1-O 3.25Å; I579-P774 WeakPolarHBondContact CD1-O 3.37Å
580	T	84.5	Confident	88.6	Confident	100 Å²	100	57 Å²	57	61%	0.613	31%	0.308	S	S	*	.	S	Bend	trans	-80.7	-43.5	173.2	49.3	0	0	0	0	111.5	P582	T580-P582 WeakPolarHBondContact O-CD 3.15Å
581	H	87.1	Confident	88.6	Confident	80 Å²	80	52.1 Å²	52.1	37%	0.37	28%	0.282	S	S	.	.			trans	-118.2	84.5	-174.2	-63.6	115.4	0	0	0	111.6	F583 V584 P586 E589	H581-F583 PolarHBondContact O-N 2.84Å; H581-V584 HydrophobicContact CB-CB 4.28Å; H581-P586 HydrophobicContact CB-CG 4.37Å; H581-E589 IonicContact CE1-OE1 2.85Å; H581-E589 PolarHBondContact CE1-OE1 3.49Å; H581-E589 IonicContact CE1-OE2 2.67Å; H581-E589 IonicContact ND1-OE1 3.75Å; H581-E589 PolarHBondContact ND1-OE1 3.32Å; H581-E589 IonicContact ND1-OE2 2.7Å
582	P	88.2	Confident	88.5	Confident	25 Å²	25	51.1 Å²	51.1	16%	0.162	28%	0.281	C	S	.	.	S	Bend	trans	-74.8	-19.2	-171.7	27.6	-35.7	0	0	0	115.4	F574 I579 T580	F574-P582 HydrophobicContact CB-CB 4.4Å; F574-P582 HydrophobicContact CD1-CB 3.71Å; F574-P582 HydrophobicContact CD2-CB 3.65Å; F574-P582 HydrophobicContact CD2-CG 3.68Å; F574-P582 HydrophobicContact CE1-CB 3.76Å; F574-P582 HydrophobicContact CE2-CB 3.68Å; F574-P582 HydrophobicContact CE2-CG 3.87Å; F574-P582 HydrophobicContact CG-CB 3.65Å; F574-P582 HydrophobicContact CG-CG 4.06Å; F574-P582 HydrophobicContact CZ-CB 3.74Å; F574-P582 HydrophobicContact CZ-CG 4.43Å; I579-P582 HydrophobicContact CG2-CB 3.99Å; T580-P582 WeakPolarHBondContact O-CD 3.15Å
583	F	93.1	Very high	88.5	Confident	31 Å²	31	54.9 Å²	54.9	14%	0.136	30%	0.295	C	S	.	.	S	Bend	trans	-124.4	4.9	-175.9	-52.3	-57.1	0	0	0	113.7	T556 K559 L560 F563 F574 H581 Y686	T556-F583 WeakPolarHBondContact CG2-O 3.49Å; K559-F583 HydrophobicContact CB-CB 4.39Å; K559-F583 HydrophobicContact CB-CD1 3.85Å; K559-F583 HydrophobicContact CB-CD2 4.4Å; K559-F583 HydrophobicContact CB-CE1 4.22Å; K559-F583 HydrophobicContact CB-CG 3.95Å; K559-F583 HydrophobicContact CD-CD1 4Å; L560-F583 HydrophobicContact CD2-CD2 3.6Å; L560-F583 HydrophobicContact CD2-CE2 3.89Å; L560-F583 HydrophobicContact CG-CD2 3.87Å; L560-F583 HydrophobicContact CG-CE2 4.43Å; F563-F583 HydrophobicContact CB-CE2 4.02Å; F563-F583 HydrophobicContact CB-CZ 4Å; F563-F583 HydrophobicContact CD2-CZ 4.19Å; F563-F583 HydrophobicContact CG-CE2 4.19Å; F563-F583 HydrophobicContact CG-CZ 4.19Å; F574-F583 HydrophobicContact CE2-CE2 4.41Å; F574-F583 HydrophobicContact CE2-CZ 4.01Å; F574-F583 HydrophobicContact CZ-CE1 4.35Å; F574-F583 AromaticContact CZ-CZ 3.99Å; F574-F583 HydrophobicContact CZ-CZ 3.99Å; H581-F583 PolarHBondContact O-N 2.84Å; F583-Y686 HydrophobicContact CD1-CE2 4.24Å; F583-Y686 WeakPolarHBondContact O-CE1 3.42Å; F583-Y686 VanDerWaalsContact O-CZ 3.3Å; F583-Y686 PolarHBondContact O-OH 3.28Å; F583-Y686 VanDerWaalsContact O-OH 3.08Å
584	V	92.9	Very high	88.3	Confident	72 Å²	72	52.1 Å²	52.1	44%	0.436	28%	0.28	S	S	.	.	S	Bend	trans	-120.7	151.6	179.4	177.6	0	0	0	0	107.8	T556 H581 P586	T556-V584 HydrophobicContact CG2-CG2 3.91Å; H581-V584 HydrophobicContact CB-CB 4.28Å; V584-P586 VanDerWaalsContact O-CD 3.32Å; V584-P586 WeakPolarHBondContact O-CD 3.22Å
585	Y	92.6	Very high	87.7	Confident	40 Å²	40	52.2 Å²	52.2	16%	0.157	28%	0.284	C	S	.	.			trans	-100.7	101	171.9	-55.2	-76.8	0	0	0	108.3	W587 Y686 Y730 V731 Q732	Y585-W587 VanDerWaalsContact CB-NE1 3.35Å; Y585-W587 HydrophobicContact CD1-CZ2 4.39Å; Y585-W587 HydrophobicContact CG-CZ2 4.26Å; Y585-W587 PolarHBondContact O-N 3.4Å; Y585-Y686 AromaticContact CD1-CD1 3.86Å; Y585-Y686 HydrophobicContact CD1-CD1 3.86Å; Y585-Y686 HydrophobicContact CD1-CE1 4.37Å; Y585-Y686 HydrophobicContact CD2-CD1 4.47Å; Y585-Y686 HydrophobicContact CD2-CE1 4.18Å; Y585-Y686 AromaticContact CE1-CD1 3.27Å; Y585-Y686 HydrophobicContact CE1-CD1 3.27Å; Y585-Y686 AromaticContact CE1-CE1 3.78Å; Y585-Y686 HydrophobicContact CE1-CE1 3.78Å; Y585-Y686 HydrophobicContact CE1-CG 4.11Å; Y585-Y686 AromaticContact CE2-CD1 3.96Å; Y585-Y686 HydrophobicContact CE2-CD1 3.96Å; Y585-Y686 AromaticContact CE2-CE1 3.53Å; Y585-Y686 HydrophobicContact CE2-CE1 3.53Å; Y585-Y686 HydrophobicContact CG-CD1 4.42Å; Y585-Y686 AromaticContact CZ-CD1 3.31Å; Y585-Y686 AromaticContact CZ-CE1 3.29Å; Y585-Y686 WeakPolarHBondContact OH-CD1 3.27Å; Y585-Y686 WeakPolarHBondContact OH-CE1 3.5Å; Y585-Y730 HydrophobicContact CD1-CG 4.16Å; Y585-V731 WeakPolarHBondContact CE1-O 3.45Å; Y585-Q732 HydrophobicContact CE2-CG 4.33Å; Y585-Q732 WeakPolarHBondContact OH-CA 3.24Å; Y585-Q732 PolarHBondContact OH-O 2.88Å
586	P	91.7	Very high	86.4	Confident	13 Å²	13	51.2 Å²	51.2	8%	0.084	27%	0.274	C	S	.	.			trans	-80	73.1	-175.1	33.4	-35.8	0	0	0	110.5	H581 V584 E589 L590 Y730	H581-P586 HydrophobicContact CB-CG 4.37Å; V584-P586 VanDerWaalsContact O-CD 3.32Å; V584-P586 WeakPolarHBondContact O-CD 3.22Å; P586-E589 HydrophobicContact CB-CB 4.2Å; P586-E589 HydrophobicContact CB-CG 4.19Å; P586-L590 PolarHBondContact O-N 2.89Å; P586-Y730 HydrophobicContact CG-CE2 4.25Å; P586-Y730 WeakPolarHBondContact CG-OH 3.31Å
587	W	92.3	Very high	85	Confident	9 Å²	9	48.3 Å²	48.3	3%	0.034	27%	0.266	C	S	.	.	H	α-helix	trans	-65.7	-40.5	-178.8	-62.7	117.9	0	0	0	112.5	Y585 L590 I591 W629 I670 Y730 F748	Y585-W587 VanDerWaalsContact CB-NE1 3.35Å; Y585-W587 HydrophobicContact CD1-CZ2 4.39Å; Y585-W587 HydrophobicContact CG-CZ2 4.26Å; Y585-W587 PolarHBondContact O-N 3.4Å; W587-L590 HydrophobicContact CE3-CD2 4.1Å; W587-L590 HydrophobicContact CZ3-CD2 4.11Å; W587-L590 PolarHBondContact O-N 2.84Å; W587-I591 WeakPolarHBondContact O-CB 3.47Å; W587-I591 VanDerWaalsContact O-CG1 3.31Å; W587-I591 WeakPolarHBondContact O-CG1 3.35Å; W587-I591 PolarHBondContact O-N 3.06Å; W587-W629 HydrophobicContact CB-CD2 3.78Å; W587-W629 HydrophobicContact CB-CE3 4.45Å; W587-W629 HydrophobicContact CB-CG 3.9Å; W587-W629 HydrophobicContact CB-CZ2 4.25Å; W587-W629 AromaticContact CD1-CE2 3.75Å; W587-W629 AromaticContact CD1-CH2 3.53Å; W587-W629 AromaticContact CD1-CZ2 3.44Å; W587-W629 VanDerWaalsContact CD1-CZ2 3.44Å; W587-W629 AromaticContact CD1-CZ3 3.93Å; W587-W629 HydrophobicContact CG-CD2 4.15Å; W587-W629 HydrophobicContact CG-CE3 4.39Å; W587-W629 HydrophobicContact CG-CH2 4.4Å; W587-W629 HydrophobicContact CG-CZ2 4.17Å; W587-I670 HydrophobicContact CD2-CD1 4.32Å; W587-I670 HydrophobicContact CD2-CG2 4.4Å; W587-I670 HydrophobicContact CE3-CG2 3.97Å; W587-I670 HydrophobicContact CZ3-CG2 4.46Å; W587-Y730 HydrophobicContact CE3-CD2 4.02Å; W587-Y730 HydrophobicContact CE3-CE2 4.41Å; W587-Y730 AromaticContact CH2-CD2 3.58Å; W587-Y730 HydrophobicContact CH2-CD2 3.58Å; W587-Y730 HydrophobicContact CH2-CG 4.19Å; W587-Y730 HydrophobicContact CZ2-CD2 4.14Å; W587-Y730 AromaticContact CZ3-CD2 3.56Å; W587-Y730 HydrophobicContact CZ3-CD2 3.56Å; W587-Y730 HydrophobicContact CZ3-CE2 4.29Å; W587-F748 HydrophobicContact CH2-CB 3.38Å; W587-F748 VanDerWaalsContact CH2-O 3.27Å; W587-F748 WeakPolarHBondContact CH2-O 3.23Å; W587-F748 HydrophobicContact CZ2-CB 3.71Å; W587-F748 HydrophobicContact CZ2-CG 4.48Å; W587-F748 HydrophobicContact CZ3-CB 4.04Å
588	S	90.7	Very high	83.7	Confident	47 Å²	47	47 Å²	47	33%	0.329	26%	0.261	S	S	.	.	H	α-helix	trans	-59.8	-49.4	177.9	-53.4	0	0	0	0	111.4	L590 I591 E592	S588-L590 VanDerWaalsContact C-N 3.32Å; S588-L590 PolarHBondContact O-N 3.26Å; S588-I591 PolarHBondContact O-N 3.06Å; S588-I591 VanDerWaalsContact O-N 3.16Å; S588-E592 WeakPolarHBondContact O-CB 3.48Å; S588-E592 WeakPolarHBondContact O-CG 3.11Å; S588-E592 PolarHBondContact O-N 2.67Å
589	E	89.5	Confident	82.1	Confident	72 Å²	72	49.8 Å²	49.8	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-58.6	-43.1	176.2	-65.7	170.4	-144.6	0	0	112.1	H581 P586 I591 Q593	H581-E589 IonicContact CE1-OE1 2.85Å; H581-E589 PolarHBondContact CE1-OE1 3.49Å; H581-E589 IonicContact CE1-OE2 2.67Å; H581-E589 IonicContact ND1-OE1 3.75Å; H581-E589 PolarHBondContact ND1-OE1 3.32Å; H581-E589 IonicContact ND1-OE2 2.7Å; P586-E589 HydrophobicContact CB-CB 4.2Å; P586-E589 HydrophobicContact CB-CG 4.19Å; E589-I591 VanDerWaalsContact C-N 3.32Å; E589-I591 PolarHBondContact O-N 2.81Å; E589-Q593 WeakPolarHBondContact O-CB 3.5Å; E589-Q593 WeakPolarHBondContact O-CG 3.28Å; E589-Q593 PolarHBondContact O-N 3.16Å; E589-Q593 VanDerWaalsContact O-N 3.07Å
590	L	89.7	Confident	80.1	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-64.1	-38.3	179.3	-179.4	65.4	0	0	0	111.8	P586 W587 S588 N594 L727 Y730	P586-L590 PolarHBondContact O-N 2.89Å; W587-L590 HydrophobicContact CE3-CD2 4.1Å; W587-L590 HydrophobicContact CZ3-CD2 4.11Å; W587-L590 PolarHBondContact O-N 2.84Å; S588-L590 VanDerWaalsContact C-N 3.32Å; S588-L590 PolarHBondContact O-N 3.26Å; L590-N594 PolarHBondContact O-ND2 2.83Å; L590-L727 HydrophobicContact CD1-CB 4.32Å; L590-L727 HydrophobicContact CD1-CD2 4.06Å; L590-L727 HydrophobicContact CD1-CG 3.88Å; L590-L727 WeakPolarHBondContact CD1-O 3.4Å; L590-Y730 HydrophobicContact CD2-CD2 4.48Å; L590-Y730 HydrophobicContact CD2-CE2 4Å
591	I	89.8	Confident	78	Confident	6 Å²	6	57.2 Å²	57.2	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-74.9	-48	-179.4	-71.4	164.2	0	0	0	110.4	W587 S588 E589 Q593 N594 S595 W629 N668 I670	W587-I591 WeakPolarHBondContact O-CB 3.47Å; W587-I591 VanDerWaalsContact O-CG1 3.31Å; W587-I591 WeakPolarHBondContact O-CG1 3.35Å; W587-I591 PolarHBondContact O-N 3.06Å; S588-I591 PolarHBondContact O-N 3.06Å; S588-I591 VanDerWaalsContact O-N 3.16Å; E589-I591 VanDerWaalsContact C-N 3.32Å; E589-I591 PolarHBondContact O-N 2.81Å; I591-Q593 VanDerWaalsContact C-N 3.34Å; I591-Q593 PolarHBondContact O-N 3.24Å; I591-N594 CarbonylContact O-C 3.15Å; I591-N594 WeakPolarHBondContact O-CA 3.28Å; I591-N594 PolarHBondContact O-N 3.02Å; I591-S595 PolarHBondContact O-N 2.82Å; I591-S595 PolarHBondContact O-OG 3.08Å; I591-W629 HydrophobicContact CD1-CB 3.35Å; I591-W629 HydrophobicContact CD1-CG 4.09Å; I591-N668 WeakPolarHBondContact CG2-OD1 3.35Å; I591-I670 HydrophobicContact CD1-CG2 4.28Å
592	E	88.2	Confident	75.5	Confident	73 Å²	73	56.6 Å²	56.6	34%	0.341	30%	0.301	S	S	.	.	H	α-helix	trans	-56.6	-45.8	178.5	-74.4	174.8	-178.9	0	0	111.8	S588 N594 S595 I596 N627	S588-E592 WeakPolarHBondContact O-CB 3.48Å; S588-E592 WeakPolarHBondContact O-CG 3.11Å; S588-E592 PolarHBondContact O-N 2.67Å; E592-N594 PolarHBondContact O-N 2.92Å; E592-N594 VanDerWaalsContact O-N 3.07Å; E592-S595 WeakPolarHBondContact CA-OG 3.13Å; E592-S595 PolarHBondContact O-N 2.96Å; E592-S595 PolarHBondContact O-OG 3.49Å; E592-I596 VanDerWaalsContact O-CD1 3.25Å; E592-I596 WeakPolarHBondContact O-CD1 3.43Å; E592-I596 WeakPolarHBondContact O-CG1 3.4Å; E592-I596 PolarHBondContact O-N 2.88Å; E592-N627 PolarHBondContact OE1-ND2 3.01Å
593	Q	85.7	Confident	72.9	Confident	124 Å²	124	59.3 Å²	59.3	58%	0.579	31%	0.314	S	S	*	.	H	α-helix	trans	-58.3	-25.5	176.5	-74.7	171.7	10.4	0	0	113.4	E589 I591	E589-Q593 WeakPolarHBondContact O-CB 3.5Å; E589-Q593 WeakPolarHBondContact O-CG 3.28Å; E589-Q593 PolarHBondContact O-N 3.16Å; E589-Q593 VanDerWaalsContact O-N 3.07Å; I591-Q593 VanDerWaalsContact C-N 3.34Å; I591-Q593 PolarHBondContact O-N 3.24Å
594	N	83.6	Confident	70.1	Confident	11 Å²	11	63.4 Å²	63.4	6%	0.059	34%	0.344	C	S	.	.	H	α-helix	trans	-101.6	-21.1	-178	-76.6	-74.8	0	0	0	113.7	L590 I591 E592 L656 A753 N756	L590-N594 PolarHBondContact O-ND2 2.83Å; I591-N594 CarbonylContact O-C 3.15Å; I591-N594 WeakPolarHBondContact O-CA 3.28Å; I591-N594 PolarHBondContact O-N 3.02Å; E592-N594 PolarHBondContact O-N 2.92Å; E592-N594 VanDerWaalsContact O-N 3.07Å; N594-L656 WeakPolarHBondContact O-CD1 3.48Å; N594-A753 HydrophobicContact CB-CB 4.48Å; N594-A753 WeakPolarHBondContact ND2-CB 3.47Å; N594-N756 WeakPolarHBondContact CA-ND2 3.49Å; N594-N756 WeakPolarHBondContact CB-ND2 3.43Å; N594-N756 PolarHBondContact O-ND2 2.92Å; N594-N756 PolarHBondContact OD1-ND2 3.21Å
595	S	75	Confident	67.4	Low	28 Å²	28	66.4 Å²	66.4	20%	0.196	36%	0.356	C	S	.	.	H	α-helix	trans	-88	-27.4	-178.4	61.2	0	0	0	0	113.9	I591 E592 N597 V598	I591-S595 PolarHBondContact O-N 2.82Å; I591-S595 PolarHBondContact O-OG 3.08Å; E592-S595 WeakPolarHBondContact CA-OG 3.13Å; E592-S595 PolarHBondContact O-N 2.96Å; E592-S595 PolarHBondContact O-OG 3.49Å; S595-N597 PolarHBondContact O-N 3.4Å; S595-V598 PolarHBondContact O-N 3.03Å
596	I	61.6	Low	64.6	Low	87 Å²	87	69.1 Å²	69.1	45%	0.446	37%	0.372	S	S	.	.	H	α-helix	trans	-52.7	-24.1	-179.9	-69.9	159.9	0	0	0	113.1	E592 V598	E592-I596 VanDerWaalsContact O-CD1 3.25Å; E592-I596 WeakPolarHBondContact O-CD1 3.43Å; E592-I596 WeakPolarHBondContact O-CG1 3.4Å; E592-I596 PolarHBondContact O-N 2.88Å; I596-V598 VanDerWaalsContact C-N 3.31Å; I596-V598 PolarHBondContact O-N 3.34Å
597	N	56.4	Low	61.7	Low	92 Å²	92	73.3 Å²	73.3	49%	0.492	40%	0.401	S	S	.	.	H	α-helix	trans	-70.1	-21.1	179.6	-68.3	-21.4	0	0	0	114.5	S595 L656	S595-N597 PolarHBondContact O-N 3.4Å; N597-L656 HydrophobicContact CB-CD1 4.23Å
598	V	55.5	Low	58.7	Low	9 Å²	9	77.2 Å²	77.2	6%	0.055	43%	0.43	C	S	.	.	H	α-helix	trans	-79.1	-45.9	-179.3	-176.9	0	0	0	0	111.2	S595 I596 K600 T601 T602 L656 Y660 L667	S595-V598 PolarHBondContact O-N 3.03Å; I596-V598 VanDerWaalsContact C-N 3.31Å; I596-V598 PolarHBondContact O-N 3.34Å; V598-K600 VanDerWaalsContact C-N 3.26Å; V598-K600 PolarHBondContact O-N 2.81Å; V598-T601 PolarHBondContact O-N 3.04Å; V598-T601 PolarHBondContact O-OG1 2.58Å; V598-T602 PolarHBondContact O-N 3.04Å; V598-L656 HydrophobicContact CG2-CB 3.45Å; V598-L656 VanDerWaalsContact CG2-CB 3.45Å; V598-L656 HydrophobicContact CG2-CD1 3.76Å; V598-L656 HydrophobicContact CG2-CG 4.27Å; V598-Y660 HydrophobicContact CG1-CG 4.45Å; V598-L667 HydrophobicContact CG2-CD1 4.11Å
599	V	50.5	Low	55.7	Low	109 Å²	109	80.3 Å²	80.3	66%	0.661	45%	0.447	S	S	*	.	H	α-helix	trans	-66.1	-29.8	-173.5	-174.9	0	0	0	0	111.9	T601 T602	V599-T601 VanDerWaalsContact C-N 3.27Å; V599-T601 PolarHBondContact O-N 2.94Å; V599-T602 PolarHBondContact O-OG1 2.94Å
600	K	43.6	Very low	52.8	Low	172 Å²	172	84.1 Å²	84.1	75%	0.748	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.7	176.2	-69.6	-175.4	178.9	-179.6	0	113.8	V598	V598-K600 VanDerWaalsContact C-N 3.26Å; V598-K600 PolarHBondContact O-N 2.81Å
601	T	39.3	Very low	49.8	Very low	101 Å²	101	88.2 Å²	88.2	62%	0.62	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-16.3	179.4	50.2	0	0	0	0	113.5	V598 V599 D603	V598-T601 PolarHBondContact O-N 3.04Å; V598-T601 PolarHBondContact O-OG1 2.58Å; V599-T601 VanDerWaalsContact C-N 3.27Å; V599-T601 PolarHBondContact O-N 2.94Å; T601-D603 PolarHBondContact O-N 2.95Å
602	T	34.7	Very low	46.7	Very low	66 Å²	66	95 Å²	95	41%	0.405	53%	0.534	S	S	.	.	S	Bend	trans	-85.1	84.7	172.3	51.6	0	0	0	0	110	V598 V599	V598-T602 PolarHBondContact O-N 3.04Å; V599-T602 PolarHBondContact O-OG1 2.94Å
603	D	33.7	Very low	43.8	Very low	82 Å²	82	98.7 Å²	98.7	44%	0.439	56%	0.556	S	S	.	*			trans	61	120.1	156.2	-56.3	-35.2	0	0	0	121.1	T601 I605 I606	T601-D603 PolarHBondContact O-N 2.95Å; D603-I605 VanDerWaalsContact C-N 3.26Å; D603-I606 HydrophobicContact CB-CG1 4.3Å; D603-I606 WeakPolarHBondContact OD2-CD1 3.32Å
604	P	35.4	Very low	40.9	Very low	118 Å²	118	100.5 Å²	100.5	77%	0.766	57%	0.569	S	S	*	*	S	Bend	trans	-80.5	-5.2	149.9	34.3	-30.3	0	0	0	112.4
605	I	36.5	Very low	38.2	Very low	134 Å²	134	106.8 Å²	106.8	69%	0.687	60%	0.603	S	S	*	*	S	Bend	trans	-85.3	-24.3	-171	-57	177.7	0	0	0	112.8	D603	D603-I605 VanDerWaalsContact C-N 3.26Å
606	I	32.9	Very low	35.7	Very low	98 Å²	98	110.3 Å²	110.3	50%	0.503	63%	0.634	S	S	.	*	S	Bend	trans	-94	-14	-179	-55.2	178	0	0	0	112.3	D603 S608 T609	D603-I606 HydrophobicContact CB-CG1 4.3Å; D603-I606 WeakPolarHBondContact OD2-CD1 3.32Å; I606-S608 PolarHBondContact O-N 2.82Å; I606-S608 VanDerWaalsContact O-N 3.08Å; I606-T609 PolarHBondContact O-N 2.9Å
607	S	30.2	Very low	33.9	Very low	100 Å²	100	113.4 Å²	113.4	70%	0.699	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-5	-179.8	-64.4	0	0	0	0	114.4
608	S	29.5	Very low	32.2	Very low	92 Å²	92	115.6 Å²	115.6	64%	0.643	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-4.3	178.9	57.9	0	0	0	0	115.1	I606	I606-S608 PolarHBondContact O-N 2.82Å; I606-S608 VanDerWaalsContact O-N 3.08Å
609	T	29.2	Very low	30.8	Very low	111 Å²	111	119.7 Å²	119.7	68%	0.681	70%	0.695	S	S	*	*	S	Bend	trans	-113.5	0.3	-177.9	51.5	0	0	0	0	115.4	I606	I606-T609 PolarHBondContact O-N 2.9Å
610	I	27.3	Very low	29.6	Very low	152 Å²	152	118.6 Å²	118.6	78%	0.779	69%	0.692	S	S	*	*			trans	-122.2	54.5	175.3	-43.4	177.7	0	0	0	109.9
611	S	26.6	Very low	28.8	Very low	87 Å²	87	116.1 Å²	116.1	61%	0.608	70%	0.697	S	S	*	*	S	Bend	trans	-123.3	111.2	153.1	65	0	0	0	0	106
612	N	26.1	Very low	28.5	Very low	150 Å²	150	117.2 Å²	117.2	80%	0.802	70%	0.699	S	S	*	*			trans	126.1	74.4	173.5	-63.8	-10.3	0	0	0	111.1
613	N	26.7	Very low	28.3	Very low	150 Å²	150	121.3 Å²	121.3	80%	0.802	72%	0.718	S	S	*	*			trans	-163.7	75.5	144.1	-95.4	-19	0	0	0	108.1	N615	N613-N615 VanDerWaalsContact C-N 3.32Å; N613-N615 PolarHBondContact O-N 2.63Å
614	D	24.3	Very low	28.4	Very low	161 Å²	161	125 Å²	125	86%	0.861	74%	0.738	S	S	*	*			trans	-63.2	94.7	158.6	-70.6	-34.2	0	0	0	107.6
615	N	26.6	Very low	29	Very low	144 Å²	144	124.6 Å²	124.6	77%	0.77	73%	0.73	S	S	*	*			trans	-147.8	110.2	165.1	-89.7	-34.8	0	0	0	110.9	N613 I617	N613-N615 VanDerWaalsContact C-N 3.32Å; N613-N615 PolarHBondContact O-N 2.63Å; N615-I617 PolarHBondContact O-N 3.23Å
616	A	22.2	Very low	29.4	Very low	102 Å²	102	125 Å²	125	84%	0.843	73%	0.733	S	S	*	*			trans	-37.1	117.8	172.6	0	0	0	0	0	115
617	I	25.7	Very low	30.5	Very low	152 Å²	152	124.8 Å²	124.8	78%	0.779	73%	0.733	S	S	*	*			trans	-134.3	109.8	149.1	-59.3	-179.1	0	0	0	107.9	N615 S619	N615-I617 PolarHBondContact O-N 3.23Å; I617-S619 PolarHBondContact O-N 2.93Å
618	T	20.4	Very low	33	Very low	138 Å²	138	125.7 Å²	125.7	85%	0.847	73%	0.725	S	S	*	*			trans	-71	111.5	167.8	48.8	0	0	0	0	109.9
619	S	25.2	Very low	36	Very low	94 Å²	94	123.2 Å²	123.2	66%	0.657	70%	0.701	S	S	*	*			trans	-165.1	124.9	158.7	52.4	0	0	0	0	112.7	I617	I617-S619 PolarHBondContact O-N 2.93Å
620	S	25.3	Very low	39	Very low	86 Å²	86	118.7 Å²	118.7	60%	0.601	67%	0.672	S	S	*	*			trans	60	104.1	162.7	56.9	0	0	0	0	119	D622	S620-D622 PolarHBondContact O-N 3.18Å
621	S	26.4	Very low	42.2	Very low	121 Å²	121	111.9 Å²	111.9	85%	0.846	64%	0.638	S	S	*	*	S	Bend	trans	-68.9	52.2	166.1	56.2	0	0	0	0	113.7
622	D	32.9	Very low	45.4	Very low	124 Å²	124	108 Å²	108	66%	0.663	61%	0.61	S	S	*	*			trans	-113.2	13	175.6	-71	-28.9	0	0	0	112.3	S620 D624	S620-D622 PolarHBondContact O-N 3.18Å; D622-D624 PolarHBondContact O-N 3.1Å
623	D	31.2	Very low	48.5	Very low	151 Å²	151	102.9 Å²	102.9	81%	0.807	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-76	1.5	179.5	-77.1	-29.6	0	0	0	114.6	D625	D623-D625 PolarHBondContact O-N 3.41Å
624	D	36.3	Very low	51.4	Low	159 Å²	159	99 Å²	99	85%	0.85	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-77.1	-4	174.5	-103.2	-6.1	0	0	0	113.4	D622 N626	D622-D624 PolarHBondContact O-N 3.1Å; D624-N626 VanDerWaalsContact C-N 3.32Å; D624-N626 PolarHBondContact O-N 3.28Å
625	D	46.8	Very low	54.3	Low	111 Å²	111	94.4 Å²	94.4	59%	0.594	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-73.4	-17.8	-171.8	-113.3	-5.2	0	0	0	114.2	D623 N627 K628	D623-D625 PolarHBondContact O-N 3.41Å; D625-N627 PolarHBondContact O-N 3.33Å; D625-N627 VanDerWaalsContact O-N 3.07Å; D625-K628 PolarHBondContact O-N 2.99Å
626	N	45.5	Very low	57.2	Low	141 Å²	141	89.2 Å²	89.2	75%	0.754	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-64.1	-17.6	-176	-96.8	-21.6	0	0	0	114.4	D624 N668	D624-N626 VanDerWaalsContact C-N 3.32Å; D624-N626 PolarHBondContact O-N 3.28Å; N626-N668 PolarHBondContact O-ND2 3.37Å
627	N	55.2	Low	60.5	Low	95 Å²	95	85.3 Å²	85.3	51%	0.508	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-100.7	13.2	-177.6	-103.1	3.8	0	0	0	114.7	E592 D625 W629	E592-N627 PolarHBondContact OE1-ND2 3.01Å; D625-N627 PolarHBondContact O-N 3.33Å; D625-N627 VanDerWaalsContact O-N 3.07Å; N627-W629 PolarHBondContact O-N 3.38Å
628	K	83.3	Confident	63.6	Low	119 Å²	119	78.2 Å²	78.2	52%	0.517	44%	0.444	S	S	.	.			trans	-90.8	106.2	-177.8	-154.4	171.5	-170.6	168.9	0	111.7	D625	D625-K628 PolarHBondContact O-N 2.99Å
629	W	92.2	Very high	66.9	Low	39 Å²	39	79.1 Å²	79.1	15%	0.148	43%	0.432	C	S	.	.			trans	-75.5	152.7	172.5	56.8	-93.2	0	0	0	111.8	P543 D544 W587 I591 N627 N668 I670	P543-W629 HydrophobicContact CB-CH2 3.88Å; P543-W629 HydrophobicContact CB-CZ3 3.98Å; P543-W629 HydrophobicContact CG-CZ3 4.17Å; P543-W629 VanDerWaalsContact O-CH2 3.24Å; P543-W629 WeakPolarHBondContact O-CH2 3.49Å; D544-W629 HydrophobicContact CB-CE3 4.31Å; D544-W629 HydrophobicContact CB-CZ3 3.85Å; W587-W629 HydrophobicContact CB-CD2 3.78Å; W587-W629 HydrophobicContact CB-CE3 4.45Å; W587-W629 HydrophobicContact CB-CG 3.9Å; W587-W629 HydrophobicContact CB-CZ2 4.25Å; W587-W629 AromaticContact CD1-CE2 3.75Å; W587-W629 AromaticContact CD1-CH2 3.53Å; W587-W629 AromaticContact CD1-CZ2 3.44Å; W587-W629 VanDerWaalsContact CD1-CZ2 3.44Å; W587-W629 AromaticContact CD1-CZ3 3.93Å; W587-W629 HydrophobicContact CG-CD2 4.15Å; W587-W629 HydrophobicContact CG-CE3 4.39Å; W587-W629 HydrophobicContact CG-CH2 4.4Å; W587-W629 HydrophobicContact CG-CZ2 4.17Å; I591-W629 HydrophobicContact CD1-CB 3.35Å; I591-W629 HydrophobicContact CD1-CG 4.09Å; N627-W629 PolarHBondContact O-N 3.38Å; W629-N668 WeakPolarHBondContact CA-O 3.49Å; W629-N668 WeakPolarHBondContact CB-O 3.26Å; W629-I670 HydrophobicContact CE3-CD1 3.6Å; W629-I670 HydrophobicContact CE3-CG1 4.17Å; W629-I670 HydrophobicContact CZ3-CD1 3.61Å
630	F	93.7	Very high	69.9	Low	17 Å²	17	80.1 Å²	80.1	8%	0.075	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	160.7	-178.7	69.1	-87.2	0	0	0	111.8	I243 A665 N668 A669 I670	I243-F630 HydrophobicContact CG2-CE2 3.83Å; I243-F630 HydrophobicContact CG2-CZ 4.06Å; I243-F630 WeakPolarHBondContact O-CE2 3.24Å; F630-A665 HydrophobicContact CE1-CB 4.02Å; F630-A665 VanDerWaalsContact CE1-O 3.28Å; F630-A665 WeakPolarHBondContact CE1-O 3.32Å; F630-A665 HydrophobicContact CZ-CB 4.41Å; F630-N668 PolarHBondContact N-O 3.16Å; F630-A669 HydrophobicContact CE1-CB 4.13Å; F630-A669 HydrophobicContact CE2-CB 3.99Å; F630-A669 HydrophobicContact CZ-CB 3.7Å; F630-A669 WeakPolarHBondContact O-CA 3.42Å; F630-I670 WeakPolarHBondContact O-CG1 3.28Å; F630-I670 PolarHBondContact O-N 2.85Å
631	V	94.3	Very high	73	Confident	9 Å²	9	77.8 Å²	77.8	6%	0.055	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	121.3	175.4	176.2	0	0	0	0	110	P543 D544 R633 I670 F748	P543-V631 HydrophobicContact CG-CG2 3.82Å; D544-V631 HydrophobicContact CB-CG2 4.06Å; D544-V631 PolarHBondContact OD2-N 2.81Å; D544-V631 VanDerWaalsContact OD2-N 3.16Å; V631-R633 HydrophobicContact CG1-CG 4.17Å; V631-R633 PolarHBondContact O-N 3.45Å; V631-R633 PolarHBondContact O-NH1 2.8Å; V631-I670 CarbonylContact C-O 3.5Å; V631-I670 WeakPolarHBondContact CA-O 3.26Å; V631-I670 HydrophobicContact CB-CG1 4.44Å; V631-I670 HydrophobicContact CG2-CD1 3.85Å; V631-I670 HydrophobicContact CG2-CG1 3.84Å; V631-F748 HydrophobicContact CB-CE1 4.31Å; V631-F748 HydrophobicContact CG1-CD1 4.5Å; V631-F748 HydrophobicContact CG1-CE1 3.74Å; V631-F748 HydrophobicContact CG2-CD1 4.13Å; V631-F748 HydrophobicContact CG2-CE1 3.54Å; V631-F748 HydrophobicContact CG2-CZ 4.17Å
632	L	93.8	Very high	76.1	Confident	4 Å²	4	72.1 Å²	72.1	2%	0.021	37%	0.372	C	S	.	.			trans	-67.5	117.2	172.3	-178.7	63.6	0	0	0	109.8	I243 E634 L637 L638 V642 L666 A669 I670 I751	I243-L632 HydrophobicContact CG2-CD1 3.29Å; L632-E634 HydrophobicContact CD1-CB 4.28Å; L632-L637 HydrophobicContact CD1-CB 4.48Å; L632-L637 HydrophobicContact CD1-CD1 4.05Å; L632-L637 HydrophobicContact CD2-CB 4.13Å; L632-L638 HydrophobicContact CB-CD2 4.38Å; L632-L638 HydrophobicContact CD2-CD2 3.9Å; L632-L638 HydrophobicContact CD2-CG 4.42Å; L632-L638 HydrophobicContact CG-CD2 3.98Å; L632-L638 HydrophobicContact CG-CG 4.3Å; L632-V642 HydrophobicContact CD2-CG2 3.91Å; L632-L666 HydrophobicContact CD1-CD2 4.3Å; L632-A669 HydrophobicContact CB-CB 4.25Å; L632-I670 PolarHBondContact N-O 3.33Å; L632-I751 HydrophobicContact CB-CD1 4.44Å; L632-I751 HydrophobicContact CD2-CD1 3.56Å
633	R	89.9	Confident	78.9	Confident	44 Å²	44	70 Å²	70	17%	0.166	36%	0.358	C	S	.	.			trans	-113.9	-12	-179.4	-66	178.1	-176.4	80.9	-2	114.2	D544 V631 P635	D544-R633 IonicContact OD1-CZ 3.6Å; D544-R633 IonicContact OD1-NH2 3.59Å; D544-R633 PolarHBondContact OD1-NH2 2.86Å; D544-R633 IonicContact OD2-CZ 2.71Å; D544-R633 IonicContact OD2-NH1 2.83Å; D544-R633 PolarHBondContact OD2-NH1 3.18Å; D544-R633 IonicContact OD2-NH2 3.74Å; D544-R633 PolarHBondContact OD2-NH2 3.15Å; V631-R633 HydrophobicContact CG1-CG 4.17Å; V631-R633 PolarHBondContact O-N 3.45Å; V631-R633 PolarHBondContact O-NH1 2.8Å; R633-P635 WeakPolarHBondContact O-CD 3.25Å
634	E	88.4	Confident	81.7	Confident	69 Å²	69	66.7 Å²	66.7	32%	0.322	33%	0.334	S	S	.	.			trans	-64.6	113.2	-176.2	-90.9	-60.4	141	0	0	111.6	Q205 I243 L632 G636 L637 L638	Q205-E634 PolarHBondContact NE2-OE1 2.57Å; I243-E634 HydrophobicContact CG1-CG 4.28Å; L632-E634 HydrophobicContact CD1-CB 4.28Å; E634-G636 VanDerWaalsContact C-N 3.26Å; E634-G636 PolarHBondContact O-N 3.19Å; E634-L637 HydrophobicContact CB-CB 4.43Å; E634-L637 HydrophobicContact CB-CD1 4.28Å; E634-L637 HydrophobicContact CB-CG 4.47Å; E634-L637 PolarHBondContact O-N 3.29Å; E634-L638 WeakPolarHBondContact O-CG 3.34Å; E634-L638 PolarHBondContact O-N 3.2Å
635	P	85.7	Confident	84.2	Confident	63 Å²	63	59.1 Å²	59.1	41%	0.409	29%	0.294	S	S	.	.	H	α-helix	trans	-65.5	-30.8	-170.6	25.1	-34.4	0	0	0	112.4	R633 R639 I788	R633-P635 WeakPolarHBondContact O-CD 3.25Å; P635-R639 WeakPolarHBondContact O-CB 3.24Å; P635-R639 PolarHBondContact O-N 3.32Å; P635-I788 HydrophobicContact CB-CG2 4.06Å
636	G	87.4	Confident	86.2	Confident	36 Å²	36	54.6 Å²	54.6	37%	0.371	27%	0.269	S	S	.	.	H	α-helix	trans	-60.2	-50.2	175.5	0	0	0	0	0	111.7	E634 R639 L640	E634-G636 VanDerWaalsContact C-N 3.26Å; E634-G636 PolarHBondContact O-N 3.19Å; G636-R639 PolarHBondContact O-N 2.92Å; G636-L640 WeakPolarHBondContact O-CB 3.45Å; G636-L640 WeakPolarHBondContact O-CG 3.18Å; G636-L640 PolarHBondContact O-N 3.33Å
637	L	90.2	Very high	88.1	Confident	20 Å²	20	50.9 Å²	50.9	11%	0.105	25%	0.252	C	S	.	.	H	α-helix	trans	-69.2	-42.5	178.4	-68	175.7	0	0	0	112	I243 L632 E634 R639 V641 V642 Y662 L666	I243-L637 HydrophobicContact CD1-CD1 3.55Å; I243-L637 HydrophobicContact CG1-CD1 4.27Å; I243-L637 HydrophobicContact CG2-CD1 4.42Å; L632-L637 HydrophobicContact CD1-CB 4.48Å; L632-L637 HydrophobicContact CD1-CD1 4.05Å; L632-L637 HydrophobicContact CD2-CB 4.13Å; E634-L637 HydrophobicContact CB-CB 4.43Å; E634-L637 HydrophobicContact CB-CD1 4.28Å; E634-L637 HydrophobicContact CB-CG 4.47Å; E634-L637 PolarHBondContact O-N 3.29Å; L637-R639 VanDerWaalsContact C-N 3.28Å; L637-R639 PolarHBondContact O-N 2.83Å; L637-V641 HydrophobicContact CD2-CG2 3.94Å; L637-V641 WeakPolarHBondContact O-CA 3.35Å; L637-V641 VanDerWaalsContact O-CB 3.3Å; L637-V641 WeakPolarHBondContact O-CB 3.12Å; L637-V641 PolarHBondContact O-N 3.38Å; L637-V642 PolarHBondContact O-N 2.91Å; L637-Y662 HydrophobicContact CD1-CE1 4.5Å; L637-Y662 HydrophobicContact CD2-CE1 3.96Å; L637-L666 HydrophobicContact CD1-CD2 4.22Å
638	L	91.4	Very high	89.2	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	24%	0.238	C	C	.	.	I	π-helix	trans	-58.7	-40.9	177	-69.8	175.5	0	0	0	111.8	L632 E634 V642 H643 I671 V786 I788	L632-L638 HydrophobicContact CB-CD2 4.38Å; L632-L638 HydrophobicContact CD2-CD2 3.9Å; L632-L638 HydrophobicContact CD2-CG 4.42Å; L632-L638 HydrophobicContact CG-CD2 3.98Å; L632-L638 HydrophobicContact CG-CG 4.3Å; E634-L638 WeakPolarHBondContact O-CG 3.34Å; E634-L638 PolarHBondContact O-N 3.2Å; L638-V642 HydrophobicContact CD2-CG2 4.34Å; L638-H643 WeakPolarHBondContact O-CB 3.4Å; L638-H643 PolarHBondContact O-N 2.96Å; L638-I671 HydrophobicContact CD2-CG2 3.94Å; L638-V786 HydrophobicContact CB-CG1 4.08Å; L638-V786 HydrophobicContact CD2-CG1 3.86Å; L638-V786 HydrophobicContact CG-CG1 4.44Å; L638-I788 HydrophobicContact CB-CG1 4.31Å
639	R	89.2	Confident	89.2	Confident	158 Å²	158	45.2 Å²	45.2	60%	0.596	23%	0.23	S	C	*	.	I	π-helix	trans	-83.3	-45.9	-178.2	-169	170.9	-177.4	162.1	-0.4	113.7	P635 G636 L637 I788	P635-R639 WeakPolarHBondContact O-CB 3.24Å; P635-R639 PolarHBondContact O-N 3.32Å; G636-R639 PolarHBondContact O-N 2.92Å; L637-R639 VanDerWaalsContact C-N 3.28Å; L637-R639 PolarHBondContact O-N 2.83Å; R639-I788 HydrophobicContact CB-CD1 3.99Å; R639-I788 HydrophobicContact CG-CD1 4.12Å
640	L	88.8	Confident	88.5	Confident	115 Å²	115	48.1 Å²	48.1	60%	0.602	25%	0.248	S	C	*	.	I	π-helix	trans	-89.8	-18.6	-171.3	-61.3	177.1	0	0	0	113.6	G636 R644	G636-L640 WeakPolarHBondContact O-CB 3.45Å; G636-L640 WeakPolarHBondContact O-CG 3.18Å; G636-L640 PolarHBondContact O-N 3.33Å; L640-R644 WeakPolarHBondContact O-CD 3.4Å
641	V	90.5	Very high	87.9	Confident	36 Å²	36	58.2 Å²	58.2	22%	0.218	29%	0.286	C	S	.	.	I	π-helix	trans	-115.8	-66.2	179.8	-176.6	0	0	0	0	109.6	L637 H643 R644 M645 L654	L637-V641 HydrophobicContact CD2-CG2 3.94Å; L637-V641 WeakPolarHBondContact O-CA 3.35Å; L637-V641 VanDerWaalsContact O-CB 3.3Å; L637-V641 WeakPolarHBondContact O-CB 3.12Å; L637-V641 PolarHBondContact O-N 3.38Å; V641-H643 PolarHBondContact O-N 2.83Å; V641-R644 PolarHBondContact O-N 2.86Å; V641-M645 HydrophobicContact CG1-SD 3.88Å; V641-M645 WeakPolarHBondContact O-CG 3.39Å; V641-M645 PolarHBondContact O-N 2.85Å; V641-L654 HydrophobicContact CG1-CD1 3.68Å
642	V	91.5	Very high	87.3	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.018	29%	0.286	C	S	.	.	I	π-helix	trans	-66.8	-44.7	-167.8	-179.3	0	0	0	0	112.9	L632 L637 L638 R644 M645 L646 I671 I751 V786	L632-V642 HydrophobicContact CD2-CG2 3.91Å; L637-V642 PolarHBondContact O-N 2.91Å; L638-V642 HydrophobicContact CD2-CG2 4.34Å; V642-R644 VanDerWaalsContact C-N 3.28Å; V642-R644 PolarHBondContact O-N 2.85Å; V642-M645 WeakPolarHBondContact O-CB 3.21Å; V642-M645 PolarHBondContact O-N 3.06Å; V642-L646 PolarHBondContact O-N 2.95Å; V642-I671 HydrophobicContact CB-CD1 4.21Å; V642-I671 HydrophobicContact CG1-CB 4.47Å; V642-I671 HydrophobicContact CG1-CD1 3.2Å; V642-I671 HydrophobicContact CG1-CG1 3.9Å; V642-I671 HydrophobicContact CG1-CG2 3.9Å; V642-I671 HydrophobicContact CG2-CD1 3.9Å; V642-I671 HydrophobicContact CG2-CG1 4.24Å; V642-I751 HydrophobicContact CG2-CD1 4.39Å; V642-V786 HydrophobicContact CB-CG2 4.31Å; V642-V786 HydrophobicContact CG1-CG1 4.45Å; V642-V786 HydrophobicContact CG1-CG2 3.65Å
643	H	92	Very high	86.8	Confident	79 Å²	79	60.4 Å²	60.4	37%	0.366	30%	0.296	S	S	.	.	H	α-helix	trans	-58.9	-42.3	178.1	173.9	-87.1	0	0	0	111.4	L638 V641 L646 V647 V786	L638-H643 WeakPolarHBondContact O-CB 3.4Å; L638-H643 PolarHBondContact O-N 2.96Å; V641-H643 PolarHBondContact O-N 2.83Å; H643-L646 PolarHBondContact O-N 3.33Å; H643-V647 VanDerWaalsContact O-CG2 3.3Å; H643-V647 WeakPolarHBondContact O-CG2 3.38Å; H643-V647 PolarHBondContact O-N 2.87Å; H643-V786 HydrophobicContact CB-CG2 4.12Å
644	R	90.3	Very high	86.7	Confident	81 Å²	81	60.5 Å²	60.5	31%	0.306	30%	0.299	S	S	.	.	H	α-helix	trans	-69.6	-36	179.3	-60	175.9	71.5	-161.4	-5.4	111.9	L640 V641 V642 V647 G648 E649 A652	L640-R644 WeakPolarHBondContact O-CD 3.4Å; V641-R644 PolarHBondContact O-N 2.86Å; V642-R644 VanDerWaalsContact C-N 3.28Å; V642-R644 PolarHBondContact O-N 2.85Å; R644-V647 PolarHBondContact O-N 2.99Å; R644-G648 PolarHBondContact O-N 2.85Å; R644-G648 VanDerWaalsContact O-N 3.13Å; R644-E649 HydrophobicContact CB-CB 4.38Å; R644-E649 HydrophobicContact CB-CG 4.42Å; R644-E649 IonicContact CZ-OE2 2.81Å; R644-E649 IonicContact NE-OE1 3.88Å; R644-E649 IonicContact NE-OE2 2.91Å; R644-E649 PolarHBondContact NE-OE2 3.21Å; R644-E649 IonicContact NH2-OE2 2.72Å; R644-E649 PolarHBondContact NH2-OE2 3.34Å; R644-E649 PolarHBondContact O-N 2.79Å; R644-A652 HydrophobicContact CB-CB 3.53Å
645	M	89.1	Confident	86.6	Confident	1 Å²	1	59 Å²	59	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-58.6	-49.7	170	-75.2	176.5	79.6	0	0	111.5	V641 V642 V647 G648 A652 L754 L758	V641-M645 HydrophobicContact CG1-SD 3.88Å; V641-M645 WeakPolarHBondContact O-CG 3.39Å; V641-M645 PolarHBondContact O-N 2.85Å; V642-M645 WeakPolarHBondContact O-CB 3.21Å; V642-M645 PolarHBondContact O-N 3.06Å; M645-V647 PolarHBondContact O-N 2.93Å; M645-G648 PolarHBondContact O-N 2.97Å; M645-A652 HydrophobicContact CG-CB 4.32Å; M645-A652 WeakPolarHBondContact CG-O 3.33Å; M645-L754 HydrophobicContact CB-CD2 4.04Å; M645-L754 HydrophobicContact CE-CD2 4.29Å; M645-L754 HydrophobicContact CE-CG 4.3Å; M645-L758 HydrophobicContact CB-CD1 3.79Å; M645-L758 HydrophobicContact CE-CD1 3.73Å; M645-L758 HydrophobicContact CG-CD1 4.11Å
646	L	88.1	Confident	86.7	Confident	15 Å²	15	56.6 Å²	56.6	8%	0.079	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-36.9	-179.9	-79.1	-174.3	0	0	0	113.4	V642 H643 G648 V673 I749 L754 Y769 L784 V786	V642-L646 PolarHBondContact O-N 2.95Å; H643-L646 PolarHBondContact O-N 3.33Å; L646-G648 PolarHBondContact O-N 3.25Å; L646-V673 HydrophobicContact CD1-CG1 4.01Å; L646-I749 HydrophobicContact CD1-CD1 4.32Å; L646-I749 HydrophobicContact CD2-CD1 3.74Å; L646-I749 HydrophobicContact CG-CD1 4.4Å; L646-L754 HydrophobicContact CD2-CD1 3.83Å; L646-L754 HydrophobicContact CD2-CD2 3.76Å; L646-L754 HydrophobicContact CD2-CG 4.47Å; L646-L754 HydrophobicContact CG-CD2 4.12Å; L646-Y769 HydrophobicContact CD2-CE1 4.44Å; L646-Y769 PolarHBondContact O-OH 3.26Å; L646-L784 HydrophobicContact CD1-CB 4.27Å; L646-L784 HydrophobicContact CD2-CB 4.42Å; L646-L784 HydrophobicContact CD2-CD1 4.3Å; L646-V786 HydrophobicContact CD1-CG2 3.48Å; L646-V786 VanDerWaalsContact CD1-CG2 3.48Å; L646-V786 HydrophobicContact CG-CG2 4.34Å
647	V	84.9	Confident	86.7	Confident	64 Å²	64	57.6 Å²	57.6	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-67.6	-22.5	174.9	171.9	0	0	0	0	111.7	H643 R644 M645 E649	H643-V647 VanDerWaalsContact O-CG2 3.3Å; H643-V647 WeakPolarHBondContact O-CG2 3.38Å; H643-V647 PolarHBondContact O-N 2.87Å; R644-V647 PolarHBondContact O-N 2.99Å; M645-V647 PolarHBondContact O-N 2.93Å; V647-E649 HydrophobicContact CG1-CG 4.32Å
648	G	78.6	Confident	86.6	Confident	22 Å²	22	61.3 Å²	61.3	23%	0.227	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	31.2	179.9	0	0	0	0	0	113.3	R644 M645 L646 N650	R644-G648 PolarHBondContact O-N 2.85Å; R644-G648 VanDerWaalsContact O-N 3.13Å; M645-G648 PolarHBondContact O-N 2.97Å; L646-G648 PolarHBondContact O-N 3.25Å; G648-N650 PolarHBondContact O-N 3.48Å
649	E	83.4	Confident	86.5	Confident	72 Å²	72	61.5 Å²	61.5	34%	0.336	29%	0.293	S	S	.	.			trans	-66.1	126.6	174.4	-71.5	-175.4	-150.9	0	0	111	R644 V647 R651 A652 K653	R644-E649 HydrophobicContact CB-CB 4.38Å; R644-E649 HydrophobicContact CB-CG 4.42Å; R644-E649 IonicContact CZ-OE2 2.81Å; R644-E649 IonicContact NE-OE1 3.88Å; R644-E649 IonicContact NE-OE2 2.91Å; R644-E649 PolarHBondContact NE-OE2 3.21Å; R644-E649 IonicContact NH2-OE2 2.72Å; R644-E649 PolarHBondContact NH2-OE2 3.34Å; R644-E649 PolarHBondContact O-N 2.79Å; V647-E649 HydrophobicContact CG1-CG 4.32Å; E649-R651 PolarHBondContact O-N 2.89Å; E649-R651 VanDerWaalsContact O-N 3.16Å; E649-A652 HydrophobicContact CB-CB 4.22Å; E649-A652 PolarHBondContact O-N 3.46Å; E649-K653 PolarHBondContact O-N 2.95Å
650	N	78.2	Confident	86.5	Confident	100 Å²	100	59.1 Å²	59.1	54%	0.535	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-55.9	-36.7	-177.2	-74	-14	0	0	0	113.5	G648 A652 K653	G648-N650 PolarHBondContact O-N 3.48Å; N650-A652 PolarHBondContact O-N 2.99Å; N650-K653 PolarHBondContact O-N 2.83Å; N650-K653 WeakPolarHBondContact OD1-CE 3.38Å
651	R	80	Confident	86.5	Confident	230 Å²	230	59 Å²	59	87%	0.868	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-70	-17	177.7	-66.8	-175.6	-179	179.2	0.5	113.9	E649	E649-R651 PolarHBondContact O-N 2.89Å; E649-R651 VanDerWaalsContact O-N 3.16Å
652	A	82.6	Confident	86.4	Confident	6 Å²	6	64.8 Å²	64.8	5%	0.05	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-102.2	4.2	-179.6	0	0	0	0	0	112.7	R644 M645 E649 N650 L654	R644-A652 HydrophobicContact CB-CB 3.53Å; M645-A652 HydrophobicContact CG-CB 4.32Å; M645-A652 WeakPolarHBondContact CG-O 3.33Å; E649-A652 HydrophobicContact CB-CB 4.22Å; E649-A652 PolarHBondContact O-N 3.46Å; N650-A652 PolarHBondContact O-N 2.99Å; A652-L654 PolarHBondContact O-N 2.87Å
653	K	83.2	Confident	86.3	Confident	53 Å²	53	66.3 Å²	66.3	23%	0.23	31%	0.312	C	S	.	.			trans	-72.9	78.4	172.5	-66.5	-175.3	178.7	-173.1	0	109.6	E649 N650 L758 T763	E649-K653 PolarHBondContact O-N 2.95Å; N650-K653 PolarHBondContact O-N 2.83Å; N650-K653 WeakPolarHBondContact OD1-CE 3.38Å; K653-L758 HydrophobicContact CG-CD2 4.27Å; K653-T763 PolarHBondContact NZ-O 2.98Å
654	L	86.5	Confident	86.1	Confident	46 Å²	46	65.7 Å²	65.7	24%	0.241	32%	0.316	C	S	.	.			trans	-79.6	136.5	179.6	-63.2	176.5	0	0	0	110.5	V641 A652 Q658 L659 S755 N759	V641-L654 HydrophobicContact CG1-CD1 3.68Å; A652-L654 PolarHBondContact O-N 2.87Å; L654-Q658 VanDerWaalsContact CA-OE1 3.3Å; L654-Q658 HydrophobicContact CD2-CB 4.44Å; L654-L659 HydrophobicContact CB-CD2 4.28Å; L654-L659 HydrophobicContact CB-CG 4.18Å; L654-L659 HydrophobicContact CD1-CD2 3.79Å; L654-S755 PolarHBondContact O-OG 3.4Å; L654-N759 PolarHBondContact O-ND2 3.17Å; L654-N759 VanDerWaalsContact O-ND2 3.12Å
655	S	87.1	Confident	86	Confident	38 Å²	38	62.7 Å²	62.7	27%	0.266	31%	0.308	S	S	.	.			trans	-73.5	158.2	169.2	74.3	0	0	0	0	111.3	Q657 Q658 L659 N759	S655-Q657 PolarHBondContact O-N 3.27Å; S655-Q658 PolarHBondContact O-N 3.14Å; S655-Q658 VanDerWaalsContact O-N 3.1Å; S655-Q658 WeakPolarHBondContact OG-CG 3.44Å; S655-Q658 PolarHBondContact OG-N 2.83Å; S655-Q658 VanDerWaalsContact OG-N 3.17Å; S655-L659 PolarHBondContact O-N 2.92Å; S655-N759 WeakPolarHBondContact CA-ND2 3.37Å
656	L	87	Confident	86.1	Confident	11 Å²	11	63 Å²	63	6%	0.058	31%	0.31	C	S	.	.	H	α-helix	trans	-57.2	-38.5	173.7	-66.7	-177.8	0	0	0	111.6	N594 N597 V598 Q658 L659 Y660 L667 S755 N756	N594-L656 WeakPolarHBondContact O-CD1 3.48Å; N597-L656 HydrophobicContact CB-CD1 4.23Å; V598-L656 HydrophobicContact CG2-CB 3.45Å; V598-L656 VanDerWaalsContact CG2-CB 3.45Å; V598-L656 HydrophobicContact CG2-CD1 3.76Å; V598-L656 HydrophobicContact CG2-CG 4.27Å; L656-Q658 VanDerWaalsContact C-N 3.34Å; L656-Q658 PolarHBondContact O-N 3.03Å; L656-L659 PolarHBondContact O-N 3.33Å; L656-Y660 WeakPolarHBondContact O-CB 3.19Å; L656-Y660 PolarHBondContact O-N 3.34Å; L656-L667 HydrophobicContact CB-CD2 4.39Å; L656-L667 HydrophobicContact CD2-CD2 4.06Å; L656-S755 PolarHBondContact N-OG 3.39Å; L656-N756 WeakPolarHBondContact CD1-OD1 3.42Å; L656-N756 VanDerWaalsContact CG-OD1 3.32Å; L656-N756 WeakPolarHBondContact CG-OD1 3.47Å
657	Q	87.5	Confident	86.2	Confident	57 Å²	57	62.8 Å²	62.8	27%	0.266	31%	0.309	S	S	.	.	H	α-helix	trans	-62.5	-40.4	176.2	-168.8	65.3	33.1	0	0	111.8	S655 Y660 N661	S655-Q657 PolarHBondContact O-N 3.27Å; Q657-Y660 PolarHBondContact O-N 3.24Å; Q657-N661 PolarHBondContact NE2-OD1 2.89Å; Q657-N661 VanDerWaalsContact O-CB 3.28Å; Q657-N661 WeakPolarHBondContact O-CB 3.38Å; Q657-N661 PolarHBondContact O-N 3.45Å; Q657-N661 PolarHBondContact O-ND2 3.26Å; Q657-N661 PolarHBondContact O-OD1 3.07Å
658	Q	89.7	Confident	86.6	Confident	99 Å²	99	61.2 Å²	61.2	46%	0.463	30%	0.298	S	S	.	.	H	α-helix	trans	-65.8	-39.9	177	-74.2	170.3	-19	0	0	112	L654 S655 L656 Y662	L654-Q658 VanDerWaalsContact CA-OE1 3.3Å; L654-Q658 HydrophobicContact CD2-CB 4.44Å; S655-Q658 PolarHBondContact O-N 3.14Å; S655-Q658 VanDerWaalsContact O-N 3.1Å; S655-Q658 WeakPolarHBondContact OG-CG 3.44Å; S655-Q658 PolarHBondContact OG-N 2.83Å; S655-Q658 VanDerWaalsContact OG-N 3.17Å; L656-Q658 VanDerWaalsContact C-N 3.34Å; L656-Q658 PolarHBondContact O-N 3.03Å; Q658-Y662 PolarHBondContact O-N 2.96Å; Q658-Y662 VanDerWaalsContact O-N 3.09Å
659	L	87.7	Confident	87.3	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-63.6	-46.3	174.4	-70.4	171.4	0	0	0	111.2	L654 S655 L656 Y662 N663 L666 L667 I751	L654-L659 HydrophobicContact CB-CD2 4.28Å; L654-L659 HydrophobicContact CB-CG 4.18Å; L654-L659 HydrophobicContact CD1-CD2 3.79Å; S655-L659 PolarHBondContact O-N 2.92Å; L656-L659 PolarHBondContact O-N 3.33Å; L659-Y662 PolarHBondContact O-N 3.38Å; L659-N663 CarbonylContact O-C 3.53Å; L659-N663 PolarHBondContact O-N 2.84Å; L659-N663 VanDerWaalsContact O-O 3.04Å; L659-L666 HydrophobicContact CD2-CD1 4.35Å; L659-L667 HydrophobicContact CB-CD2 4.19Å; L659-I751 HydrophobicContact CD1-CG2 3.71Å; L659-I751 HydrophobicContact CD2-CG2 4.4Å
660	Y	88.9	Confident	87.9	Confident	109 Å²	109	56.7 Å²	56.7	43%	0.427	27%	0.271	S	S	.	.	H	α-helix	trans	-59.9	-46.7	177	-177.4	-95	0	0	0	112.1	V598 L656 Q657 Y662 N663 S664 L667	V598-Y660 HydrophobicContact CG1-CG 4.45Å; L656-Y660 WeakPolarHBondContact O-CB 3.19Å; L656-Y660 PolarHBondContact O-N 3.34Å; Q657-Y660 PolarHBondContact O-N 3.24Å; Y660-Y662 PolarHBondContact O-N 2.86Å; Y660-N663 CarbonylContact O-C 3.27Å; Y660-N663 VanDerWaalsContact O-C 3.27Å; Y660-N663 PolarHBondContact O-N 3.46Å; Y660-S664 VanDerWaalsContact CE2-CB 3.46Å; Y660-S664 PolarHBondContact O-N 3.16Å; Y660-S664 VanDerWaalsContact O-N 3.15Å; Y660-L667 HydrophobicContact CD2-CD1 3.65Å; Y660-L667 HydrophobicContact CD2-CG 4.38Å; Y660-L667 HydrophobicContact CG-CD1 4.35Å
661	N	90.6	Very high	88.8	Confident	112 Å²	112	52 Å²	52	60%	0.599	25%	0.246	S	C	*	.	H	α-helix	trans	-63.6	-30.5	178.7	-69.9	-4.1	0	0	0	112.4	Q657	Q657-N661 PolarHBondContact NE2-OD1 2.89Å; Q657-N661 VanDerWaalsContact O-CB 3.28Å; Q657-N661 WeakPolarHBondContact O-CB 3.38Å; Q657-N661 PolarHBondContact O-N 3.45Å; Q657-N661 PolarHBondContact O-ND2 3.26Å; Q657-N661 PolarHBondContact O-OD1 3.07Å
662	Y	88.3	Confident	89.5	Confident	157 Å²	157	41.4 Å²	41.4	62%	0.616	21%	0.207	S	C	*	.	H	α-helix	trans	-74.1	-52.2	174.2	-179.8	-92.7	0	0	0	111.4	L637 Q658 L659 Y660 L666	L637-Y662 HydrophobicContact CD1-CE1 4.5Å; L637-Y662 HydrophobicContact CD2-CE1 3.96Å; Q658-Y662 PolarHBondContact O-N 2.96Å; Q658-Y662 VanDerWaalsContact O-N 3.09Å; L659-Y662 PolarHBondContact O-N 3.38Å; Y660-Y662 PolarHBondContact O-N 2.86Å; Y662-L666 HydrophobicContact CD1-CD1 3.58Å; Y662-L666 HydrophobicContact CE1-CD1 4.2Å
663	N	87.9	Confident	90.2	Very high	36 Å²	36	41.1 Å²	41.1	19%	0.193	20%	0.204	C	C	.	.			trans	-159.5	120.3	171.3	-176.7	-33.4	0	0	0	108.8	L659 Y660 A665 L666	L659-N663 CarbonylContact O-C 3.53Å; L659-N663 PolarHBondContact O-N 2.84Å; L659-N663 VanDerWaalsContact O-O 3.04Å; Y660-N663 CarbonylContact O-C 3.27Å; Y660-N663 VanDerWaalsContact O-C 3.27Å; Y660-N663 PolarHBondContact O-N 3.46Å; N663-A665 PolarHBondContact O-N 3.35Å; N663-A665 VanDerWaalsContact O-N 3.16Å; N663-A665 VanDerWaalsContact OD1-CB 3.24Å; N663-A665 WeakPolarHBondContact OD1-CB 3.34Å; N663-A665 PolarHBondContact OD1-N 3.27Å; N663-L666 HydrophobicContact CB-CD1 4.28Å; N663-L666 HydrophobicContact CB-CG 4.18Å; N663-L666 WeakPolarHBondContact O-CB 3.19Å; N663-L666 PolarHBondContact O-N 3.07Å
664	S	88.1	Confident	90.8	Very high	66 Å²	66	39.8 Å²	39.8	46%	0.462	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-55.9	-33.5	-178.5	54.7	0	0	0	0	113	Y660 L666 L667	Y660-S664 VanDerWaalsContact CE2-CB 3.46Å; Y660-S664 PolarHBondContact O-N 3.16Å; Y660-S664 VanDerWaalsContact O-N 3.15Å; S664-L666 PolarHBondContact O-N 2.94Å; S664-L667 PolarHBondContact O-N 2.78Å
665	A	89.3	Confident	91.2	Very high	17 Å²	17	37.6 Å²	37.6	14%	0.14	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-66	-21.8	-179.9	0	0	0	0	0	113.4	F630 N663 L667 N668	F630-A665 HydrophobicContact CE1-CB 4.02Å; F630-A665 VanDerWaalsContact CE1-O 3.28Å; F630-A665 WeakPolarHBondContact CE1-O 3.32Å; F630-A665 HydrophobicContact CZ-CB 4.41Å; N663-A665 PolarHBondContact O-N 3.35Å; N663-A665 VanDerWaalsContact O-N 3.16Å; N663-A665 VanDerWaalsContact OD1-CB 3.24Å; N663-A665 WeakPolarHBondContact OD1-CB 3.34Å; N663-A665 PolarHBondContact OD1-N 3.27Å; A665-L667 PolarHBondContact O-N 2.86Å; A665-L667 VanDerWaalsContact O-N 3.17Å; A665-N668 PolarHBondContact O-N 3.35Å
666	L	90.7	Very high	91.6	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.042	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-62.5	-23	178.5	-73.4	177	0	0	0	113.3	L632 L637 L659 Y662 N663 S664 N668 A669 I751	L632-L666 HydrophobicContact CD1-CD2 4.3Å; L637-L666 HydrophobicContact CD1-CD2 4.22Å; L659-L666 HydrophobicContact CD2-CD1 4.35Å; Y662-L666 HydrophobicContact CD1-CD1 3.58Å; Y662-L666 HydrophobicContact CE1-CD1 4.2Å; N663-L666 HydrophobicContact CB-CD1 4.28Å; N663-L666 HydrophobicContact CB-CG 4.18Å; N663-L666 WeakPolarHBondContact O-CB 3.19Å; N663-L666 PolarHBondContact O-N 3.07Å; S664-L666 PolarHBondContact O-N 2.94Å; L666-N668 PolarHBondContact O-N 3.02Å; L666-A669 WeakPolarHBondContact O-CB 3.2Å; L666-A669 PolarHBondContact O-N 2.89Å; L666-I751 HydrophobicContact CD2-CD1 4.4Å
667	L	90.8	Very high	91.9	Very high	11 Å²	11	38.7 Å²	38.7	6%	0.058	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-65.4	-26.8	175.4	-62.5	-171.7	0	0	0	112.5	V598 L656 L659 Y660 S664 A665 S752	V598-L667 HydrophobicContact CG2-CD1 4.11Å; L656-L667 HydrophobicContact CB-CD2 4.39Å; L656-L667 HydrophobicContact CD2-CD2 4.06Å; L659-L667 HydrophobicContact CB-CD2 4.19Å; Y660-L667 HydrophobicContact CD2-CD1 3.65Å; Y660-L667 HydrophobicContact CD2-CG 4.38Å; Y660-L667 HydrophobicContact CG-CD1 4.35Å; S664-L667 PolarHBondContact O-N 2.78Å; A665-L667 PolarHBondContact O-N 2.86Å; A665-L667 VanDerWaalsContact O-N 3.17Å; L667-S752 PolarHBondContact O-OG 2.86Å
668	N	92.1	Very high	92	Very high	30 Å²	30	38.8 Å²	38.8	16%	0.16	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-96.4	2.9	-179.8	-66.7	-5.2	0	0	0	112.9	I591 N626 W629 F630 A665 L666	I591-N668 WeakPolarHBondContact CG2-OD1 3.35Å; N626-N668 PolarHBondContact O-ND2 3.37Å; W629-N668 WeakPolarHBondContact CA-O 3.49Å; W629-N668 WeakPolarHBondContact CB-O 3.26Å; F630-N668 PolarHBondContact N-O 3.16Å; A665-N668 PolarHBondContact O-N 3.35Å; L666-N668 PolarHBondContact O-N 3.02Å
669	A	94.3	Very high	91.7	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	136.6	-175.4	0	0	0	0	0	112.5	F630 L632 L666 I751	F630-A669 HydrophobicContact CE1-CB 4.13Å; F630-A669 HydrophobicContact CE2-CB 3.99Å; F630-A669 HydrophobicContact CZ-CB 3.7Å; F630-A669 WeakPolarHBondContact O-CA 3.42Å; L632-A669 HydrophobicContact CB-CB 4.25Å; L666-A669 WeakPolarHBondContact O-CB 3.2Å; L666-A669 PolarHBondContact O-N 2.89Å; A669-I751 HydrophobicContact CB-CD1 3.62Å; A669-I751 HydrophobicContact CB-CG1 4.25Å; A669-I751 PolarHBondContact O-N 3.34Å
670	I	95.9	Very high	91.6	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	147.4	169.4	62.4	168.9	0	0	0	110.9	P543 W587 I591 W629 F630 V631 L632 F748 I749	P543-I670 HydrophobicContact CG-CD1 4.02Å; W587-I670 HydrophobicContact CD2-CD1 4.32Å; W587-I670 HydrophobicContact CD2-CG2 4.4Å; W587-I670 HydrophobicContact CE3-CG2 3.97Å; W587-I670 HydrophobicContact CZ3-CG2 4.46Å; I591-I670 HydrophobicContact CD1-CG2 4.28Å; W629-I670 HydrophobicContact CE3-CD1 3.6Å; W629-I670 HydrophobicContact CE3-CG1 4.17Å; W629-I670 HydrophobicContact CZ3-CD1 3.61Å; F630-I670 WeakPolarHBondContact O-CG1 3.28Å; F630-I670 PolarHBondContact O-N 2.85Å; V631-I670 CarbonylContact C-O 3.5Å; V631-I670 WeakPolarHBondContact CA-O 3.26Å; V631-I670 HydrophobicContact CB-CG1 4.44Å; V631-I670 HydrophobicContact CG2-CD1 3.85Å; V631-I670 HydrophobicContact CG2-CG1 3.84Å; L632-I670 PolarHBondContact N-O 3.33Å; I670-F748 HydrophobicContact CB-CB 4.42Å; I670-F748 HydrophobicContact CB-CD1 4.47Å; I670-F748 HydrophobicContact CD1-CB 4.1Å; I670-F748 HydrophobicContact CD1-CD1 3.83Å; I670-F748 HydrophobicContact CD1-CE1 4.49Å; I670-F748 HydrophobicContact CD1-CG 4.04Å; I670-F748 HydrophobicContact CG1-CD1 4.07Å; I670-I749 CarbonylContact C-O 3.55Å; I670-I749 VanDerWaalsContact CA-O 3.27Å; I670-I749 WeakPolarHBondContact CA-O 3.19Å
671	I	96	Very high	91.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.2	-175	-59.7	148.9	0	0	0	109.6	L638 V642 V673 F748 I749 I751 V786	L638-I671 HydrophobicContact CD2-CG2 3.94Å; V642-I671 HydrophobicContact CB-CD1 4.21Å; V642-I671 HydrophobicContact CG1-CB 4.47Å; V642-I671 HydrophobicContact CG1-CD1 3.2Å; V642-I671 HydrophobicContact CG1-CG1 3.9Å; V642-I671 HydrophobicContact CG1-CG2 3.9Å; V642-I671 HydrophobicContact CG2-CD1 3.9Å; V642-I671 HydrophobicContact CG2-CG1 4.24Å; I671-V673 HydrophobicContact CG2-CG1 4.03Å; I671-V673 PolarHBondContact O-N 3.27Å; I671-F748 WeakPolarHBondContact O-CA 3.33Å; I671-I749 HydrophobicContact CB-CG1 4Å; I671-I749 HydrophobicContact CD1-CD1 4.28Å; I671-I749 HydrophobicContact CD1-CG1 4.11Å; I671-I749 PolarHBondContact N-O 3.5Å; I671-I749 PolarHBondContact O-N 3.15Å; I671-I751 HydrophobicContact CD1-CB 4.42Å; I671-I751 HydrophobicContact CD1-CD1 3.98Å; I671-I751 HydrophobicContact CD1-CG1 3.26Å; I671-I751 HydrophobicContact CG1-CD1 3.93Å; I671-I751 HydrophobicContact CG1-CG1 3.59Å; I671-V786 HydrophobicContact CG2-CG1 3.95Å
672	L	96.3	Very high	91.7	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	120.9	168.8	-179.3	61.9	0	0	0	110.8	A530 L541 F748 V787	A530-L672 HydrophobicContact CB-CD2 4.05Å; L541-L672 HydrophobicContact CD2-CD1 3.83Å; L672-F748 HydrophobicContact CB-CD1 4.13Å; L672-F748 HydrophobicContact CB-CE1 3.61Å; L672-F748 HydrophobicContact CB-CZ 4.1Å; L672-F748 HydrophobicContact CD1-CD2 4.42Å; L672-F748 HydrophobicContact CD1-CE1 4Å; L672-F748 HydrophobicContact CD1-CE2 3.88Å; L672-F748 HydrophobicContact CD1-CZ 3.65Å; L672-F748 HydrophobicContact CG-CE1 4.35Å; L672-F748 HydrophobicContact CG-CZ 4.35Å; L672-V787 HydrophobicContact CB-CB 4.44Å; L672-V787 HydrophobicContact CD2-CB 3.91Å; L672-V787 HydrophobicContact CD2-CG1 3.88Å; L672-V787 HydrophobicContact CD2-CG2 4.34Å; L672-V787 HydrophobicContact CG-CB 3.91Å; L672-V787 HydrophobicContact CG-CG1 4.43Å; L672-V787 HydrophobicContact CG-CG2 4.07Å; L672-V787 PolarHBondContact O-N 3.08Å
673	V	96.3	Very high	92	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.2	178.1	-66.2	0	0	0	0	111.8	L646 I671 L675 I689 G747 I749 L784 S785	L646-V673 HydrophobicContact CD1-CG1 4.01Å; I671-V673 HydrophobicContact CG2-CG1 4.03Å; I671-V673 PolarHBondContact O-N 3.27Å; V673-L675 HydrophobicContact CG2-CD1 4.43Å; V673-I689 HydrophobicContact CG2-CD1 4.47Å; V673-G747 WeakPolarHBondContact CG2-O 3.13Å; V673-G747 PolarHBondContact N-O 3.34Å; V673-G747 PolarHBondContact O-N 3.32Å; V673-I749 HydrophobicContact CG1-CD1 3.69Å; V673-I749 HydrophobicContact CG1-CG1 3.78Å; V673-I749 HydrophobicContact CG2-CG1 4.45Å; V673-I749 HydrophobicContact CG2-CG2 3.89Å; V673-L784 HydrophobicContact CG2-CD2 4.47Å; V673-S785 WeakPolarHBondContact CA-O 3.47Å
674	Y	95.8	Very high	92.3	Very high	24 Å²	24	36 Å²	36	9%	0.094	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133	167.5	174.7	-106.1	0	0	0	109.9	H529 K676 I740 I744 G745 L746 L784 S785	H529-Y674 HydrophobicContact CB-CD2 4.4Å; H529-Y674 HydrophobicContact CB-CE2 4.43Å; H529-Y674 AromaticContact CE1-CE2 3.94Å; H529-Y674 AromaticContact CE1-CZ 3.68Å; H529-Y674 PolarHBondContact CE1-OH 3.45Å; H529-Y674 AromaticContact ND1-CD2 3.91Å; H529-Y674 AromaticContact ND1-CE2 3.13Å; H529-Y674 WeakPolarHBondContact ND1-CE2 3.14Å; H529-Y674 AromaticContact ND1-CZ 3.23Å; H529-Y674 PolarHBondContact ND1-OH 3.35Å; Y674-K676 HydrophobicContact CE1-CB 4.15Å; Y674-I740 WeakPolarHBondContact OH-CD1 3.41Å; Y674-I744 HydrophobicContact CE2-CB 3.99Å; Y674-I744 HydrophobicContact CE2-CG2 4.42Å; Y674-I744 WeakPolarHBondContact OH-CG2 3.11Å; Y674-G745 VanDerWaalsContact CD2-O 3.28Å; Y674-G745 WeakPolarHBondContact CD2-O 3.4Å; Y674-L746 HydrophobicContact CD2-CD2 3.88Å; Y674-L784 WeakPolarHBondContact O-CA 3.29Å; Y674-S785 WeakPolarHBondContact CD1-OG 3.41Å; Y674-S785 PolarHBondContact N-O 3.17Å; Y674-S785 PolarHBondContact O-N 3.04Å
675	L	95.4	Very high	92.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.4	-178.9	-56.4	99.5	0	0	0	109.8	V673 I689 V731 I744 G745 I771 V782 R783 L784	V673-L675 HydrophobicContact CG2-CD1 4.43Å; L675-I689 HydrophobicContact CD1-CD1 4.48Å; L675-I689 HydrophobicContact CD2-CD1 3.79Å; L675-I689 HydrophobicContact CD2-CG1 3.96Å; L675-V731 HydrophobicContact CD1-CG2 4.14Å; L675-V731 HydrophobicContact CD2-CG2 3.81Å; L675-I744 CarbonylContact O-C 3.6Å; L675-I744 VanDerWaalsContact O-CA 3.28Å; L675-I744 WeakPolarHBondContact O-CA 3.3Å; L675-G745 WeakPolarHBondContact CD1-O 3.39Å; L675-G745 PolarHBondContact N-O 2.99Å; L675-G745 PolarHBondContact O-N 2.93Å; L675-I771 HydrophobicContact CD2-CG2 3.77Å; L675-V782 HydrophobicContact CD2-CG2 4.35Å; L675-R783 WeakPolarHBondContact CA-O 3.21Å; L675-L784 HydrophobicContact CB-CD2 4.31Å; L675-L784 HydrophobicContact CD2-CD2 3.53Å; L675-L784 HydrophobicContact CG-CD2 3.57Å
676	K	94.9	Very high	92.8	Very high	72 Å²	72	34.7 Å²	34.7	31%	0.313	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.1	170.8	-179.7	175.9	176.8	174.7	0	109.6	Y674 V782 R783	Y674-K676 HydrophobicContact CE1-CB 4.15Å; K676-V782 CarbonylContact O-C 3.46Å; K676-V782 WeakPolarHBondContact O-CA 3.27Å; K676-R783 PolarHBondContact N-O 3.41Å; K676-R783 PolarHBondContact O-N 3.11Å
677	T	94	Very high	93	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	136.1	175.5	64.5	0	0	0	0	110.2	H679 G681 P683 R742 G743 I771 V782	T677-H679 PolarHBondContact OG1-O 3.43Å; T677-G681 WeakPolarHBondContact CG2-O 3.27Å; T677-G681 PolarHBondContact OG1-O 2.86Å; T677-P683 HydrophobicContact CG2-CG 3.99Å; T677-R742 WeakPolarHBondContact O-CD 3.33Å; T677-G743 PolarHBondContact N-O 2.95Å; T677-G743 WeakPolarHBondContact OG1-CA 3.46Å; T677-G743 PolarHBondContact OG1-N 3.46Å; T677-G743 VanDerWaalsContact OG1-N 3.09Å; T677-G743 PolarHBondContact OG1-O 3.37Å; T677-I771 HydrophobicContact CG2-CD1 4.42Å; T677-V782 HydrophobicContact CG2-CG1 3.97Å
678	E	88.5	Confident	93.1	Very high	60 Å²	60	35.4 Å²	35.4	28%	0.28	17%	0.168	S	C	.	.	S	Bend	trans	-75.3	-38.3	177.8	-66.5	-162	138.2	0	0	111.2	R742 T781 R783	E678-R742 PolarHBondContact O-NH1 2.98Å; E678-T781 PolarHBondContact N-O 3.44Å; E678-R783 HydrophobicContact CG-CG 4.1Å; E678-R783 WeakPolarHBondContact OE1-CG 3.47Å; E678-R783 IonicContact OE1-CZ 2.75Å; E678-R783 IonicContact OE1-NE 2.81Å; E678-R783 PolarHBondContact OE1-NE 3.43Å; E678-R783 IonicContact OE1-NH2 3.9Å
679	H	84.4	Confident	93.3	Very high	124 Å²	124	34 Å²	34	57%	0.574	16%	0.16	S	C	*	.	S	Bend	trans	-125.3	-126.8	-179.3	-57.7	-72	0	0	0	111.3	T677	T677-H679 PolarHBondContact OG1-O 3.43Å
680	R	85.6	Confident	93.2	Very high	174 Å²	174	35.1 Å²	35.1	66%	0.657	16%	0.164	S	C	*	.	S	Bend	trans	-74	169.1	176.6	-60.5	-176	-175.1	-169.8	4.6	110.7	Y780	R680-Y780 WeakPolarHBondContact O-CD1 3.48Å
681	G	87.7	Confident	92.9	Very high	16 Å²	16	35.1 Å²	35.1	17%	0.165	17%	0.165	C	C	.	.			trans	104.7	143.7	-178	0	0	0	0	0	111.9	T677	T677-G681 WeakPolarHBondContact CG2-O 3.27Å; T677-G681 PolarHBondContact OG1-O 2.86Å
682	V	93.6	Very high	92.2	Very high	55 Å²	55	37.1 Å²	37.1	33%	0.333	17%	0.173	S	C	.	.			trans	-125.6	118.3	171.5	178.8	0	0	0	0	106.3	G735 Y736 N773	V682-G735 VanDerWaalsContact CG1-C 3.44Å; V682-Y736 HydrophobicContact CG2-CD2 4.17Å; V682-N773 PolarHBondContact O-ND2 2.72Å
683	P	94.7	Very high	90.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	19%	0.186	C	C	.	.			trans	-59.4	139.6	176.6	-17.4	28.5	0	0	0	110.2	T677 V731 G734 G735 I771	T677-P683 HydrophobicContact CG2-CG 3.99Å; P683-V731 HydrophobicContact CB-CG1 4.15Å; P683-G734 CarbonylContact O-C 3.57Å; P683-G734 VanDerWaalsContact O-CA 3.22Å; P683-G734 WeakPolarHBondContact O-CA 3.45Å; P683-G735 PolarHBondContact O-N 3.01Å; P683-I771 HydrophobicContact CB-CD1 3.65Å; P683-I771 HydrophobicContact CG-CD1 3.59Å
684	Q	94.1	Very high	89	Confident	88 Å²	88	42.4 Å²	42.4	41%	0.411	20%	0.199	S	C	.	.			trans	-114.8	158	173.1	-63.4	-178.4	9.2	0	0	110.1	A687 V731 N773	Q684-A687 WeakPolarHBondContact O-CB 3.45Å; Q684-A687 PolarHBondContact O-N 2.87Å; Q684-A687 VanDerWaalsContact O-N 3.08Å; Q684-V731 WeakPolarHBondContact O-CB 3.19Å; Q684-V731 WeakPolarHBondContact O-CG1 3.31Å; Q684-N773 PolarHBondContact N-OD1 3.46Å
685	A	92.9	Very high	86.8	Confident	30 Å²	30	44.8 Å²	44.8	25%	0.248	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	142.2	169.4	0	0	0	0	0	110.4	A687 Q732	A685-A687 PolarHBondContact O-N 3.28Å; A685-Q732 VanDerWaalsContact CB-O 3.3Å; A685-Q732 WeakPolarHBondContact CB-O 3.23Å
686	Y	94.4	Very high	84.3	Confident	26 Å²	26	51 Å²	51	10%	0.102	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	8.3	-172.9	-41.9	-75.7	0	0	0	115.6	K559 F583 Y585 R688 V731	K559-Y686 HydrophobicContact CD-CE2 3.77Å; K559-Y686 WeakPolarHBondContact CD-OH 3.44Å; K559-Y686 VanDerWaalsContact NZ-CZ 3.3Å; K559-Y686 PolarHBondContact NZ-OH 2.86Å; F583-Y686 HydrophobicContact CD1-CE2 4.24Å; F583-Y686 WeakPolarHBondContact O-CE1 3.42Å; F583-Y686 VanDerWaalsContact O-CZ 3.3Å; F583-Y686 PolarHBondContact O-OH 3.28Å; F583-Y686 VanDerWaalsContact O-OH 3.08Å; Y585-Y686 AromaticContact CD1-CD1 3.86Å; Y585-Y686 HydrophobicContact CD1-CD1 3.86Å; Y585-Y686 HydrophobicContact CD1-CE1 4.37Å; Y585-Y686 HydrophobicContact CD2-CD1 4.47Å; Y585-Y686 HydrophobicContact CD2-CE1 4.18Å; Y585-Y686 AromaticContact CE1-CD1 3.27Å; Y585-Y686 HydrophobicContact CE1-CD1 3.27Å; Y585-Y686 AromaticContact CE1-CE1 3.78Å; Y585-Y686 HydrophobicContact CE1-CE1 3.78Å; Y585-Y686 HydrophobicContact CE1-CG 4.11Å; Y585-Y686 AromaticContact CE2-CD1 3.96Å; Y585-Y686 HydrophobicContact CE2-CD1 3.96Å; Y585-Y686 AromaticContact CE2-CE1 3.53Å; Y585-Y686 HydrophobicContact CE2-CE1 3.53Å; Y585-Y686 HydrophobicContact CG-CD1 4.42Å; Y585-Y686 AromaticContact CZ-CD1 3.31Å; Y585-Y686 AromaticContact CZ-CE1 3.29Å; Y585-Y686 WeakPolarHBondContact OH-CD1 3.27Å; Y585-Y686 WeakPolarHBondContact OH-CE1 3.5Å; Y686-R688 PolarHBondContact O-N 3Å; Y686-V731 PolarHBondContact N-O 2.87Å
687	A	94.6	Very high	81.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.252	C	S	.	.			trans	-62.5	139.2	170.4	0	0	0	0	0	110.2	Q684 A685 Y730 V731 Q772 N773	Q684-A687 WeakPolarHBondContact O-CB 3.45Å; Q684-A687 PolarHBondContact O-N 2.87Å; Q684-A687 VanDerWaalsContact O-N 3.08Å; A685-A687 PolarHBondContact O-N 3.28Å; A687-Y730 CarbonylContact O-C 3.55Å; A687-Y730 WeakPolarHBondContact O-CA 3.36Å; A687-V731 HydrophobicContact CB-CB 3.99Å; A687-V731 HydrophobicContact CB-CG2 3.91Å; A687-V731 PolarHBondContact O-N 3.23Å; A687-Q772 CarbonylContact C-O 3.54Å; A687-Q772 VanDerWaalsContact CA-O 3.24Å; A687-Q772 WeakPolarHBondContact CA-O 3.26Å; A687-Q772 WeakPolarHBondContact CB-O 3.08Å; A687-N773 WeakPolarHBondContact CB-OD1 3.32Å
688	R	94.5	Very high	78.5	Confident	34 Å²	34	56 Å²	56	13%	0.128	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	137.4	179	-72.5	-179.3	175.8	168.9	-13.4	110.3	G578 Y686 Y690 L727 Y730 I771 Q772	G578-R688 VanDerWaalsContact O-CZ 3.27Å; G578-R688 PolarHBondContact O-NH1 2.93Å; G578-R688 PolarHBondContact O-NH2 3.24Å; Y686-R688 PolarHBondContact O-N 3Å; R688-Y690 HydrophobicContact CB-CD2 4.19Å; R688-Y690 HydrophobicContact CB-CE2 3.49Å; R688-Y690 VanDerWaalsContact CB-CE2 3.49Å; R688-Y690 WeakPolarHBondContact CD-OH 3.19Å; R688-L727 HydrophobicContact CB-CD1 3.68Å; R688-L727 HydrophobicContact CG-CD1 3.94Å; R688-Y730 HydrophobicContact CG-CD1 3.95Å; R688-Y730 HydrophobicContact CG-CE1 3.77Å; R688-I771 CarbonylContact O-C 3.5Å; R688-I771 VanDerWaalsContact O-CA 3.23Å; R688-I771 WeakPolarHBondContact O-CA 3.24Å; R688-Q772 PolarHBondContact N-O 2.95Å; R688-Q772 PolarHBondContact O-N 3.24Å
689	I	95.2	Very high	75.7	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.1	177.3	-51.8	170.1	0	0	0	107.5	V673 L675 I728 G729 V731 I749 I771 L784	V673-I689 HydrophobicContact CG2-CD1 4.47Å; L675-I689 HydrophobicContact CD1-CD1 4.48Å; L675-I689 HydrophobicContact CD2-CD1 3.79Å; L675-I689 HydrophobicContact CD2-CG1 3.96Å; I689-I728 HydrophobicContact CB-CG1 4.18Å; I689-I728 HydrophobicContact CG2-CD1 3.89Å; I689-I728 HydrophobicContact CG2-CG1 3.79Å; I689-I728 VanDerWaalsContact O-CG1 3.27Å; I689-I728 WeakPolarHBondContact O-CG1 3.37Å; I689-I728 PolarHBondContact O-N 3.36Å; I689-G729 PolarHBondContact N-O 3.32Å; I689-G729 PolarHBondContact O-N 3.23Å; I689-V731 HydrophobicContact CD1-CG2 4.15Å; I689-V731 HydrophobicContact CG1-CG2 3.9Å; I689-I749 HydrophobicContact CD1-CG2 3.93Å; I689-I749 HydrophobicContact CG2-CG2 4.39Å; I689-I771 HydrophobicContact CG1-CG2 4.3Å; I689-L784 HydrophobicContact CG2-CD1 4.08Å; I689-L784 HydrophobicContact CG2-CD2 4.38Å
690	Y	93.1	Very high	73.1	Confident	24 Å²	24	63.9 Å²	63.9	9%	0.094	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	145.2	178.6	-64.7	-83.2	0	0	0	111	R688 C725 L726 L727 Y769 C770 Q772	R688-Y690 HydrophobicContact CB-CD2 4.19Å; R688-Y690 HydrophobicContact CB-CE2 3.49Å; R688-Y690 VanDerWaalsContact CB-CE2 3.49Å; R688-Y690 WeakPolarHBondContact CD-OH 3.19Å; Y690-C725 HydrophobicContact CD1-CB 3.85Å; Y690-C725 HydrophobicContact CG-CB 4.15Å; Y690-L726 CarbonylContact C-O 3.52Å; Y690-L726 VanDerWaalsContact CA-O 3.24Å; Y690-L726 WeakPolarHBondContact CA-O 3.3Å; Y690-L727 HydrophobicContact CD1-CB 4.02Å; Y690-L727 HydrophobicContact CD1-CD1 4.2Å; Y690-L727 HydrophobicContact CE1-CB 3.8Å; Y690-L727 HydrophobicContact CE1-CD1 3.88Å; Y690-L727 HydrophobicContact CE1-CG 4.41Å; Y690-Y769 VanDerWaalsContact O-CA 3.3Å; Y690-Y769 WeakPolarHBondContact O-CA 3.25Å; Y690-C770 PolarHBondContact N-O 3.25Å; Y690-C770 PolarHBondContact O-N 3.48Å; Y690-Q772 HydrophobicContact CD2-CB 4.45Å; Y690-Q772 HydrophobicContact CE2-CB 3.97Å
691	A	89.5	Confident	70.3	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.008	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.1	161.6	0	0	0	0	0	108.8	L726 I728 A757 I767 Y769	A691-L726 PolarHBondContact N-O 3.3Å; A691-L726 PolarHBondContact O-N 3.38Å; A691-I728 HydrophobicContact CB-CD1 4.42Å; A691-I728 HydrophobicContact CB-CG2 3.93Å; A691-A757 HydrophobicContact CB-CB 3.73Å; A691-I767 HydrophobicContact CB-CG2 4.1Å; A691-Y769 HydrophobicContact CB-CD1 4.23Å; A691-Y769 HydrophobicContact CB-CE1 4.28Å
692	F	80.4	Confident	67.4	Low	41 Å²	41	65.6 Å²	65.6	18%	0.18	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	146.7	-177.4	179.1	-98.3	0	0	0	111.5	P694 H724 K768	F692-P694 HydrophobicContact CE1-CB 4.35Å; F692-H724 WeakPolarHBondContact CD2-O 3.19Å; F692-H724 HydrophobicContact CE2-CB 4.08Å; F692-K768 PolarHBondContact N-O 2.97Å
693	Y	68.5	Low	64.3	Low	79 Å²	79	74 Å²	74	31%	0.31	37%	0.367	S	S	.	.			trans	-123.4	127.8	172.2	55.1	-88	0	0	0	112.7	S723 H724 I761	Y693-S723 PolarHBondContact OH-O 2.85Å; Y693-S723 VanDerWaalsContact OH-O 3.12Å; Y693-H724 WeakPolarHBondContact CD1-O 3.38Å; Y693-H724 HydrophobicContact CD2-CB 4.28Å; Y693-H724 HydrophobicContact CE1-CB 4.02Å; Y693-H724 WeakPolarHBondContact CE1-O 3.47Å; Y693-H724 HydrophobicContact CE2-CB 3.77Å; Y693-H724 AromaticContact CE2-CG 3.72Å; Y693-H724 AromaticContact CE2-ND1 3.18Å; Y693-H724 WeakPolarHBondContact CE2-ND1 3.46Å; Y693-H724 AromaticContact CZ-CG 3.82Å; Y693-H724 AromaticContact CZ-ND1 3.28Å; Y693-H724 VanDerWaalsContact CZ-ND1 3.28Å; Y693-H724 PolarHBondContact OH-ND1 2.95Å; Y693-I761 HydrophobicContact CD1-CD1 4.4Å; Y693-I761 HydrophobicContact CD1-CG1 4.11Å; Y693-I761 HydrophobicContact CG-CG1 4.27Å
694	P	57.7	Low	61.2	Low	42 Å²	42	83 Å²	83	27%	0.273	41%	0.406	S	S	.	.			trans	-73.8	135.4	178.1	28.1	-31.2	0	0	0	111.3	F692	F692-P694 HydrophobicContact CE1-CB 4.35Å
695	N	48.2	Very low	58	Low	73 Å²	73	85.6 Å²	85.6	39%	0.39	42%	0.423	S	S	.	.			trans	-62.4	136.2	163.6	-91.2	-11.7	0	0	0	110.2	S697	N695-S697 VanDerWaalsContact C-N 3.33Å
696	E	43.2	Very low	54.7	Low	130 Å²	130	92.2 Å²	92.2	61%	0.607	45%	0.454	S	S	*	.	S	Bend	trans	-80.9	-17	162.2	-65.9	-161.8	144.9	0	0	112.1	T698 K699 K765	E696-T698 VanDerWaalsContact C-N 3.32Å; E696-T698 PolarHBondContact O-N 3.45Å; E696-K699 PolarHBondContact O-N 3.39Å; E696-K765 IonicContact OE1-NZ 2.6Å; E696-K765 PolarHBondContact OE1-NZ 3.06Å
697	S	33.2	Very low	51.4	Low	76 Å²	76	95.1 Å²	95.1	53%	0.531	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.7	-172.3	54.8	0	0	0	0	116.1	N695	N695-S697 VanDerWaalsContact C-N 3.33Å
698	T	34.4	Very low	48	Very low	102 Å²	102	102.6 Å²	102.6	63%	0.626	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-4.4	177.7	54.8	0	0	0	0	114.4	E696	E696-T698 VanDerWaalsContact C-N 3.32Å; E696-T698 PolarHBondContact O-N 3.45Å
699	K	30.4	Very low	44.5	Very low	179 Å²	179	109 Å²	109	78%	0.778	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-21.2	175.1	-79.3	-166.7	175.5	-171.9	0	115.3	E696 S702	E696-K699 PolarHBondContact O-N 3.39Å; K699-S702 PolarHBondContact O-OG 3.13Å
700	E	29.1	Very low	41	Very low	171 Å²	171	114.7 Å²	114.7	80%	0.799	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-30	179.4	-71.6	-168	156.6	0	0	113.2	S702	E700-S702 VanDerWaalsContact C-N 3.31Å; E700-S702 PolarHBondContact O-N 3.06Å
701	N	26.5	Very low	37.7	Very low	139 Å²	139	120.6 Å²	120.6	74%	0.743	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-81.1	-6.6	177.1	-76.3	-8.6	0	0	0	114.3	R703	N701-R703 PolarHBondContact O-N 3.43Å; N701-R703 VanDerWaalsContact O-N 3.11Å
702	S	27.1	Very low	34.6	Very low	86 Å²	86	125.6 Å²	125.6	60%	0.601	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-77.7	10.9	178.7	74.2	0	0	0	0	114.3	K699 E700	K699-S702 PolarHBondContact O-OG 3.13Å; E700-S702 VanDerWaalsContact C-N 3.31Å; E700-S702 PolarHBondContact O-N 3.06Å
703	R	29.3	Very low	32.2	Very low	233 Å²	233	128.7 Å²	128.7	88%	0.879	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-99	-3.3	172.9	-84.7	-170.7	176.9	-177.4	0.3	115.1	N701	N701-R703 PolarHBondContact O-N 3.43Å; N701-R703 VanDerWaalsContact O-N 3.11Å
704	K	28.2	Very low	30.6	Very low	189 Å²	189	133.5 Å²	133.5	82%	0.822	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.9	-21	-177.3	-78.9	-169.9	173.8	-178.7	0	118.3
705	D	26.8	Very low	29.6	Very low	143 Å²	143	134.7 Å²	134.7	77%	0.765	70%	0.703	S	S	*	*			trans	-122	85.9	179.7	-66	-38.3	0	0	0	112.1	S707	D705-S707 PolarHBondContact O-N 3.49Å
706	N	24.1	Very low	29.1	Very low	169 Å²	169	132.9 Å²	132.9	90%	0.904	70%	0.702	S	S	*	*			trans	-70.2	71.3	165.3	-87.7	-20.8	0	0	0	109.9
707	S	24.5	Very low	28.9	Very low	86 Å²	86	133.6 Å²	133.6	60%	0.601	70%	0.703	S	S	*	*	S	Bend	trans	-162.7	125.2	153.9	53.5	0	0	0	0	110.8	D705	D705-S707 PolarHBondContact O-N 3.49Å
708	N	23.1	Very low	29.3	Very low	157 Å²	157	134.4 Å²	134.4	84%	0.84	70%	0.698	S	S	*	*	S	Bend	trans	88.5	13.7	156.4	-54.4	-20.6	0	0	0	122.2
709	L	21.8	Very low	29.5	Very low	168 Å²	168	135 Å²	135	88%	0.88	71%	0.707	S	S	*	*			trans	-114.9	78.3	166.6	-82.1	156.8	0	0	0	111.8	I711	L709-I711 PolarHBondContact O-N 3.06Å
710	V	22.9	Very low	30	Very low	121 Å²	121	130 Å²	130	73%	0.733	69%	0.694	S	S	*	*			trans	-65.9	103.4	166	178.2	0	0	0	0	108	N712	V710-N712 VanDerWaalsContact C-N 3.33Å; V710-N712 PolarHBondContact O-N 2.93Å
711	I	23.1	Very low	30.5	Very low	147 Å²	147	128.5 Å²	128.5	75%	0.754	69%	0.687	S	S	*	*			trans	-66.7	92.3	171.9	-59.3	169.6	0	0	0	107.3	L709 S713	L709-I711 PolarHBondContact O-N 3.06Å; I711-S713 PolarHBondContact O-N 2.71Å
712	N	23.5	Very low	31.5	Very low	107 Å²	107	128 Å²	128	57%	0.572	68%	0.68	S	S	*	*			trans	-74.5	71.4	168.4	-82.8	-23.7	0	0	0	109.5	V710 E714 N715	V710-N712 VanDerWaalsContact C-N 3.33Å; V710-N712 PolarHBondContact O-N 2.93Å; N712-E714 PolarHBondContact O-N 2.81Å; N712-E714 VanDerWaalsContact O-N 3.14Å; N712-N715 PolarHBondContact O-N 2.87Å
713	S	31.4	Very low	32.6	Very low	105 Å²	105	127.6 Å²	127.6	73%	0.734	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-12.5	172.7	51.3	0	0	0	0	113.1	I711	I711-S713 PolarHBondContact O-N 2.71Å
714	E	34.6	Very low	34.3	Very low	180 Å²	180	118.5 Å²	118.5	84%	0.841	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-17.4	177.6	-66.4	-167.6	154.9	0	0	114.4	N712	N712-E714 PolarHBondContact O-N 2.81Å; N712-E714 VanDerWaalsContact O-N 3.14Å
715	N	35.8	Very low	36.8	Very low	68 Å²	68	111.6 Å²	111.6	36%	0.364	62%	0.62	S	S	.	*	S	Bend	trans	-100.5	-12.2	-169.2	-82	-35.7	0	0	0	115.9	N712 K717	N712-N715 PolarHBondContact O-N 2.87Å; N715-K717 HydrophobicContact CB-CD 4.4Å; N715-K717 HydrophobicContact CB-CG 4.35Å; N715-K717 WeakPolarHBondContact O-CG 3.42Å; N715-K717 PolarHBondContact O-N 3.06Å
716	G	38.2	Very low	39.7	Very low	35 Å²	35	107.2 Å²	107.2	36%	0.361	60%	0.596	S	S	.	*			trans	55.1	21.6	177.9	0	0	0	0	0	114.5
717	K	38.5	Very low	43	Very low	144 Å²	144	100.6 Å²	100.6	63%	0.626	56%	0.56	S	S	*	*			trans	-99.5	108.2	179.4	-69.2	179.2	-179.4	-171.6	0	107.8	N715	N715-K717 HydrophobicContact CB-CD 4.4Å; N715-K717 HydrophobicContact CB-CG 4.35Å; N715-K717 WeakPolarHBondContact O-CG 3.42Å; N715-K717 PolarHBondContact O-N 3.06Å
718	E	42.6	Very low	46.3	Very low	93 Å²	93	96.5 Å²	96.5	44%	0.435	53%	0.532	S	S	.	.			trans	-101.9	124.9	174.4	-71.9	177.5	174.3	0	0	109
719	S	39	Very low	49.7	Very low	116 Å²	116	89 Å²	89	81%	0.811	49%	0.492	S	S	*	.			trans	-72.1	139.8	179.5	45.5	0	0	0	0	112.1	Q721	S719-Q721 PolarHBondContact O-N 3.48Å
720	S	40.2	Very low	53.3	Low	74 Å²	74	81.8 Å²	81.8	52%	0.517	45%	0.453	S	S	.	.			trans	-66.9	85.8	-171.6	-36	0	0	0	0	114.2
721	Q	40.5	Very low	56.8	Low	138 Å²	138	76 Å²	76	65%	0.645	42%	0.418	S	S	*	.			trans	-95.3	100	153.2	-76.6	-176.3	-13.6	0	0	108	S719 S723	S719-Q721 PolarHBondContact O-N 3.48Å; Q721-S723 PolarHBondContact O-N 3.25Å; Q721-S723 VanDerWaalsContact O-N 3.07Å
722	H	46.2	Very low	60.1	Low	128 Å²	128	70.2 Å²	70.2	59%	0.593	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-62.2	-10.7	-177.3	-87.2	-69.2	0	0	0	114.5	H724	H722-H724 PolarHBondContact O-N 3.07Å; H722-H724 VanDerWaalsContact O-N 3.09Å
723	S	50.9	Low	63.5	Low	79 Å²	79	67.1 Å²	67.1	55%	0.552	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-64.9	-11.6	-177.7	46.3	0	0	0	0	114.5	Y693 Q721	Y693-S723 PolarHBondContact OH-O 2.85Å; Y693-S723 VanDerWaalsContact OH-O 3.12Å; Q721-S723 PolarHBondContact O-N 3.25Å; Q721-S723 VanDerWaalsContact O-N 3.07Å
724	H	65.5	Low	66.4	Low	41 Å²	41	63 Å²	63	19%	0.19	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-129.6	24.6	-168.4	-53.5	-57.2	0	0	0	116.1	F692 Y693 H722	F692-H724 WeakPolarHBondContact CD2-O 3.19Å; F692-H724 HydrophobicContact CE2-CB 4.08Å; Y693-H724 WeakPolarHBondContact CD1-O 3.38Å; Y693-H724 HydrophobicContact CD2-CB 4.28Å; Y693-H724 HydrophobicContact CE1-CB 4.02Å; Y693-H724 WeakPolarHBondContact CE1-O 3.47Å; Y693-H724 HydrophobicContact CE2-CB 3.77Å; Y693-H724 AromaticContact CE2-CG 3.72Å; Y693-H724 AromaticContact CE2-ND1 3.18Å; Y693-H724 WeakPolarHBondContact CE2-ND1 3.46Å; Y693-H724 AromaticContact CZ-CG 3.82Å; Y693-H724 AromaticContact CZ-ND1 3.28Å; Y693-H724 VanDerWaalsContact CZ-ND1 3.28Å; Y693-H724 PolarHBondContact OH-ND1 2.95Å; H722-H724 PolarHBondContact O-N 3.07Å; H722-H724 VanDerWaalsContact O-N 3.09Å
725	C	79.3	Confident	69.2	Low	44 Å²	44	55 Å²	55	30%	0.297	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.6	177.3	-70	0	0	0	0	111.6	Y690	Y690-C725 HydrophobicContact CD1-CB 3.85Å; Y690-C725 HydrophobicContact CG-CB 4.15Å
726	L	88.8	Confident	71.8	Confident	51 Å²	51	57.6 Å²	57.6	27%	0.267	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.1	170.2	-164.5	81.2	0	0	0	109.9	Y690 A691 I728 A753 N756 A757	Y690-L726 CarbonylContact C-O 3.52Å; Y690-L726 VanDerWaalsContact CA-O 3.24Å; Y690-L726 WeakPolarHBondContact CA-O 3.3Å; A691-L726 PolarHBondContact N-O 3.3Å; A691-L726 PolarHBondContact O-N 3.38Å; L726-I728 HydrophobicContact CD2-CG2 4.49Å; L726-I728 PolarHBondContact O-N 3.3Å; L726-A753 WeakPolarHBondContact CD2-O 3.3Å; L726-N756 HydrophobicContact CD2-CB 4.17Å; L726-A757 HydrophobicContact CD2-CB 3.79Å
727	L	92.2	Very high	74	Confident	30 Å²	30	56 Å²	56	16%	0.157	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	125	173.8	-178.1	64.2	0	0	0	109.3	L590 R688 Y690 Y730	L590-L727 HydrophobicContact CD1-CB 4.32Å; L590-L727 HydrophobicContact CD1-CD2 4.06Å; L590-L727 HydrophobicContact CD1-CG 3.88Å; L590-L727 WeakPolarHBondContact CD1-O 3.4Å; R688-L727 HydrophobicContact CB-CD1 3.68Å; R688-L727 HydrophobicContact CG-CD1 3.94Å; Y690-L727 HydrophobicContact CD1-CB 4.02Å; Y690-L727 HydrophobicContact CD1-CD1 4.2Å; Y690-L727 HydrophobicContact CE1-CB 3.8Å; Y690-L727 HydrophobicContact CE1-CD1 3.88Å; Y690-L727 HydrophobicContact CE1-CG 4.41Å; L727-Y730 HydrophobicContact CD1-CE1 4.48Å; L727-Y730 HydrophobicContact CD2-CE1 4.32Å; L727-Y730 WeakPolarHBondContact CD2-OH 3.48Å
728	I	93.7	Very high	76	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-15.6	-179.4	61.9	166	0	0	0	113.5	I689 A691 L726 I749 S750 A753 A757 Y769 L784	I689-I728 HydrophobicContact CB-CG1 4.18Å; I689-I728 HydrophobicContact CG2-CD1 3.89Å; I689-I728 HydrophobicContact CG2-CG1 3.79Å; I689-I728 VanDerWaalsContact O-CG1 3.27Å; I689-I728 WeakPolarHBondContact O-CG1 3.37Å; I689-I728 PolarHBondContact O-N 3.36Å; A691-I728 HydrophobicContact CB-CD1 4.42Å; A691-I728 HydrophobicContact CB-CG2 3.93Å; L726-I728 HydrophobicContact CD2-CG2 4.49Å; L726-I728 PolarHBondContact O-N 3.3Å; I728-I749 HydrophobicContact CD1-CG2 4.04Å; I728-I749 HydrophobicContact CG1-CG2 4.14Å; I728-I749 CarbonylContact O-C 3.53Å; I728-I749 VanDerWaalsContact O-CA 3.26Å; I728-I749 WeakPolarHBondContact O-CA 3.41Å; I728-I749 WeakPolarHBondContact O-CB 3.2Å; I728-S750 PolarHBondContact O-N 2.67Å; I728-A753 HydrophobicContact CB-CB 4.25Å; I728-A753 HydrophobicContact CG2-CB 4.2Å; I728-A757 HydrophobicContact CG2-CB 4.21Å; I728-Y769 HydrophobicContact CD1-CD1 3.7Å; I728-Y769 HydrophobicContact CD1-CE1 3.83Å; I728-L784 HydrophobicContact CD1-CD1 4.07Å
729	G	95.6	Very high	77.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.5	-167.1	-178.5	0	0	0	0	0	115.3	I689 F748	I689-G729 PolarHBondContact N-O 3.32Å; I689-G729 PolarHBondContact O-N 3.23Å; G729-F748 CarbonylContact C-O 3.53Å; G729-F748 WeakPolarHBondContact CA-O 3.15Å
730	Y	96.6	Very high	79.6	Confident	16 Å²	16	49.9 Å²	49.9	6%	0.063	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	144.1	-174.8	-56.3	-82.3	0	0	0	112.1	Y585 P586 W587 L590 A687 R688 L727 G747 F748	Y585-Y730 HydrophobicContact CD1-CG 4.16Å; P586-Y730 HydrophobicContact CG-CE2 4.25Å; P586-Y730 WeakPolarHBondContact CG-OH 3.31Å; W587-Y730 HydrophobicContact CE3-CD2 4.02Å; W587-Y730 HydrophobicContact CE3-CE2 4.41Å; W587-Y730 AromaticContact CH2-CD2 3.58Å; W587-Y730 HydrophobicContact CH2-CD2 3.58Å; W587-Y730 HydrophobicContact CH2-CG 4.19Å; W587-Y730 HydrophobicContact CZ2-CD2 4.14Å; W587-Y730 AromaticContact CZ3-CD2 3.56Å; W587-Y730 HydrophobicContact CZ3-CD2 3.56Å; W587-Y730 HydrophobicContact CZ3-CE2 4.29Å; L590-Y730 HydrophobicContact CD2-CD2 4.48Å; L590-Y730 HydrophobicContact CD2-CE2 4Å; A687-Y730 CarbonylContact O-C 3.55Å; A687-Y730 WeakPolarHBondContact O-CA 3.36Å; R688-Y730 HydrophobicContact CG-CD1 3.95Å; R688-Y730 HydrophobicContact CG-CE1 3.77Å; L727-Y730 HydrophobicContact CD1-CE1 4.48Å; L727-Y730 HydrophobicContact CD2-CE1 4.32Å; L727-Y730 WeakPolarHBondContact CD2-OH 3.48Å; Y730-G747 CarbonylContact O-C 3.54Å; Y730-G747 WeakPolarHBondContact O-CA 3.36Å; Y730-F748 PolarHBondContact N-O 3.24Å; Y730-F748 PolarHBondContact O-N 2.92Å
731	V	96.4	Very high	81.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	125.6	172.1	-179.7	0	0	0	0	109.2	Y585 L675 P683 Q684 Y686 A687 I689 D733 I771	Y585-V731 WeakPolarHBondContact CE1-O 3.45Å; L675-V731 HydrophobicContact CD1-CG2 4.14Å; L675-V731 HydrophobicContact CD2-CG2 3.81Å; P683-V731 HydrophobicContact CB-CG1 4.15Å; Q684-V731 WeakPolarHBondContact O-CB 3.19Å; Q684-V731 WeakPolarHBondContact O-CG1 3.31Å; Y686-V731 PolarHBondContact N-O 2.87Å; A687-V731 HydrophobicContact CB-CB 3.99Å; A687-V731 HydrophobicContact CB-CG2 3.91Å; A687-V731 PolarHBondContact O-N 3.23Å; I689-V731 HydrophobicContact CD1-CG2 4.15Å; I689-V731 HydrophobicContact CG1-CG2 3.9Å; V731-D733 WeakPolarHBondContact CG1-O 3.48Å; V731-I771 HydrophobicContact CG2-CG2 4.38Å
732	Q	93.9	Very high	84.2	Confident	26 Å²	26	46.7 Å²	46.7	12%	0.121	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-45.3	178.1	-167.1	-178.8	20	0	0	111.8	L541 Y585 A685 L746 F748	L541-Q732 VanDerWaalsContact CA-OE1 3.28Å; Y585-Q732 HydrophobicContact CE2-CG 4.33Å; Y585-Q732 WeakPolarHBondContact OH-CA 3.24Å; Y585-Q732 PolarHBondContact OH-O 2.88Å; A685-Q732 VanDerWaalsContact CB-O 3.3Å; A685-Q732 WeakPolarHBondContact CB-O 3.23Å; Q732-L746 PolarHBondContact N-O 3Å; Q732-F748 VanDerWaalsContact OE1-CE2 3.31Å
733	D	93.4	Very high	86.4	Confident	41 Å²	41	40.6 Å²	40.6	22%	0.219	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.1	176.5	-164.5	11.8	0	0	0	110.3	V731 G745 L746	V731-D733 WeakPolarHBondContact CG1-O 3.48Å; D733-G745 CarbonylContact O-C 3.59Å; D733-G745 VanDerWaalsContact O-CA 3.23Å; D733-G745 WeakPolarHBondContact O-CA 3.45Å; D733-L746 PolarHBondContact N-O 2.94Å; D733-L746 PolarHBondContact O-N 3.19Å
734	G	93.7	Very high	88.5	Confident	19 Å²	19	37 Å²	37	20%	0.196	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	147.9	-171.6	0	0	0	0	0	112.3	P683 I744	P683-G734 CarbonylContact O-C 3.57Å; P683-G734 VanDerWaalsContact O-CA 3.22Å; P683-G734 WeakPolarHBondContact O-CA 3.45Å; G734-I744 WeakPolarHBondContact CA-O 3.38Å
735	G	92.1	Very high	89.9	Confident	13 Å²	13	35.1 Å²	35.1	13%	0.134	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	-178	-176.6	0	0	0	0	0	113.5	V682 P683 I744	V682-G735 VanDerWaalsContact CG1-C 3.44Å; P683-G735 PolarHBondContact O-N 3.01Å; G735-I744 PolarHBondContact N-O 3.39Å; G735-I744 PolarHBondContact O-N 3.15Å
736	Y	90.5	Very high	90.8	Very high	122 Å²	122	33 Å²	33	48%	0.478	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115	178.1	-172.6	-96.2	0	0	0	110.5	V682 Q738 G741	V682-Y736 HydrophobicContact CG2-CD2 4.17Å; Y736-Q738 HydrophobicContact CD1-CG 4.37Å; Y736-Q738 PolarHBondContact O-N 3.35Å; Y736-Q738 VanDerWaalsContact O-N 3.17Å; Y736-G741 VanDerWaalsContact CZ-C 3.42Å; Y736-G741 VanDerWaalsContact OH-CA 3.26Å; Y736-G741 WeakPolarHBondContact OH-CA 3.24Å; Y736-G741 PolarHBondContact OH-O 2.97Å
737	G	84.9	Confident	91.1	Very high	2 Å²	2	30.6 Å²	30.6	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	101.4	177.7	0	0	0	0	0	110.5	S739 I740 G741 R742	G737-S739 VanDerWaalsContact C-N 3.27Å; G737-S739 PolarHBondContact O-N 3.09Å; G737-I740 PolarHBondContact O-N 3.33Å; G737-G741 PolarHBondContact O-N 3.24Å; G737-R742 PolarHBondContact N-O 3.07Å
738	Q	79.5	Confident	91.4	Very high	82 Å²	82	29.2 Å²	29.2	38%	0.383	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.2	-176.8	-68.8	176.9	14.8	0	0	113.7	Y736	Y736-Q738 HydrophobicContact CD1-CG 4.37Å; Y736-Q738 PolarHBondContact O-N 3.35Å; Y736-Q738 VanDerWaalsContact O-N 3.17Å
739	S	75.2	Confident	91.5	Very high	89 Å²	89	29.2 Å²	29.2	62%	0.622	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-32.9	176.6	46.8	0	0	0	0	112.6	G737	G737-S739 VanDerWaalsContact C-N 3.27Å; G737-S739 PolarHBondContact O-N 3.09Å
740	I	82.1	Confident	91.5	Very high	53 Å²	53	29.2 Å²	29.2	27%	0.272	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-23.2	-175.8	-61.3	167.5	0	0	0	111.5	Y674 G737 R742 I744	Y674-I740 WeakPolarHBondContact OH-CD1 3.41Å; G737-I740 PolarHBondContact O-N 3.33Å; I740-R742 VanDerWaalsContact C-N 3.33Å; I740-R742 HydrophobicContact CG2-CB 4.14Å; I740-R742 HydrophobicContact CG2-CG 4.27Å; I740-I744 HydrophobicContact CD1-CG2 4.1Å
741	G	86.6	Confident	91.3	Very high	37 Å²	37	28.6 Å²	28.6	38%	0.381	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	20.6	-175.5	0	0	0	0	0	113.9	Y736 G737	Y736-G741 VanDerWaalsContact CZ-C 3.42Å; Y736-G741 VanDerWaalsContact OH-CA 3.26Å; Y736-G741 WeakPolarHBondContact OH-CA 3.24Å; Y736-G741 PolarHBondContact OH-O 2.97Å; G737-G741 PolarHBondContact O-N 3.24Å
742	R	90.5	Very high	91	Very high	107 Å²	107	28.6 Å²	28.6	40%	0.404	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	166	-176.1	-60.1	-168.1	-173.9	-168.1	-3.6	112.7	T677 E678 G737 I740	T677-R742 WeakPolarHBondContact O-CD 3.33Å; E678-R742 PolarHBondContact O-NH1 2.98Å; G737-R742 PolarHBondContact N-O 3.07Å; I740-R742 VanDerWaalsContact C-N 3.33Å; I740-R742 HydrophobicContact CG2-CB 4.14Å; I740-R742 HydrophobicContact CG2-CG 4.27Å
743	G	93.6	Very high	90.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	131.1	169.5	0	0	0	0	0	110.6	T677	T677-G743 PolarHBondContact N-O 2.95Å; T677-G743 WeakPolarHBondContact OG1-CA 3.46Å; T677-G743 PolarHBondContact OG1-N 3.46Å; T677-G743 VanDerWaalsContact OG1-N 3.09Å; T677-G743 PolarHBondContact OG1-O 3.37Å
744	I	95	Very high	90.8	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	153.6	178.4	63.7	168.9	0	0	0	109.5	L526 Y674 L675 G734 G735 I740	L526-I744 HydrophobicContact CB-CD1 4.21Å; L526-I744 HydrophobicContact CD2-CD1 4.48Å; L526-I744 HydrophobicContact CD2-CG1 4.35Å; Y674-I744 HydrophobicContact CE2-CB 3.99Å; Y674-I744 HydrophobicContact CE2-CG2 4.42Å; Y674-I744 WeakPolarHBondContact OH-CG2 3.11Å; L675-I744 CarbonylContact O-C 3.6Å; L675-I744 VanDerWaalsContact O-CA 3.28Å; L675-I744 WeakPolarHBondContact O-CA 3.3Å; G734-I744 WeakPolarHBondContact CA-O 3.38Å; G735-I744 PolarHBondContact N-O 3.39Å; G735-I744 PolarHBondContact O-N 3.15Å; I740-I744 HydrophobicContact CD1-CG2 4.1Å
745	G	95.3	Very high	90.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	163.4	177.8	0	0	0	0	0	112.5	Y674 L675 D733	Y674-G745 VanDerWaalsContact CD2-O 3.28Å; Y674-G745 WeakPolarHBondContact CD2-O 3.4Å; L675-G745 WeakPolarHBondContact CD1-O 3.39Å; L675-G745 PolarHBondContact N-O 2.99Å; L675-G745 PolarHBondContact O-N 2.93Å; D733-G745 CarbonylContact O-C 3.59Å; D733-G745 VanDerWaalsContact O-CA 3.23Å; D733-G745 WeakPolarHBondContact O-CA 3.45Å
746	L	96.9	Very high	90.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.1	169.7	-68.9	167.8	0	0	0	107.3	G525 L526 A530 L541 Y674 Q732 D733 V787	G525-L746 VanDerWaalsContact C-CD1 3.43Å; L526-L746 HydrophobicContact CD2-CD1 4.27Å; L526-L746 HydrophobicContact CD2-CG 4.15Å; A530-L746 HydrophobicContact CB-CD1 3.89Å; A530-L746 HydrophobicContact CB-CD2 3.76Å; A530-L746 HydrophobicContact CB-CG 4.49Å; L541-L746 HydrophobicContact CD1-CD1 4.13Å; L541-L746 HydrophobicContact CD2-CB 3.92Å; L541-L746 HydrophobicContact CD2-CD1 3.96Å; L541-L746 HydrophobicContact CD2-CG 4.5Å; Y674-L746 HydrophobicContact CD2-CD2 3.88Å; Q732-L746 PolarHBondContact N-O 3Å; D733-L746 PolarHBondContact N-O 2.94Å; D733-L746 PolarHBondContact O-N 3.19Å; L746-V787 HydrophobicContact CD2-CG2 4.38Å
747	G	96.1	Very high	90.2	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	176.8	-176.7	0	0	0	0	0	111.4	V673 Y730	V673-G747 WeakPolarHBondContact CG2-O 3.13Å; V673-G747 PolarHBondContact N-O 3.34Å; V673-G747 PolarHBondContact O-N 3.32Å; Y730-G747 CarbonylContact O-C 3.54Å; Y730-G747 WeakPolarHBondContact O-CA 3.36Å
748	F	97.4	Very high	90.2	Very high	1 Å²	1	19 Å²	19	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143	175.2	-70.4	-92.9	0	0	0	110.2	P543 W587 V631 I670 I671 L672 G729 Y730 Q732	P543-F748 HydrophobicContact CG-CD2 4.17Å; P543-F748 HydrophobicContact CG-CE1 4.21Å; P543-F748 HydrophobicContact CG-CE2 3.77Å; P543-F748 HydrophobicContact CG-CZ 3.79Å; W587-F748 HydrophobicContact CH2-CB 3.38Å; W587-F748 VanDerWaalsContact CH2-O 3.27Å; W587-F748 WeakPolarHBondContact CH2-O 3.23Å; W587-F748 HydrophobicContact CZ2-CB 3.71Å; W587-F748 HydrophobicContact CZ2-CG 4.48Å; W587-F748 HydrophobicContact CZ3-CB 4.04Å; V631-F748 HydrophobicContact CB-CE1 4.31Å; V631-F748 HydrophobicContact CG1-CD1 4.5Å; V631-F748 HydrophobicContact CG1-CE1 3.74Å; V631-F748 HydrophobicContact CG2-CD1 4.13Å; V631-F748 HydrophobicContact CG2-CE1 3.54Å; V631-F748 HydrophobicContact CG2-CZ 4.17Å; I670-F748 HydrophobicContact CB-CB 4.42Å; I670-F748 HydrophobicContact CB-CD1 4.47Å; I670-F748 HydrophobicContact CD1-CB 4.1Å; I670-F748 HydrophobicContact CD1-CD1 3.83Å; I670-F748 HydrophobicContact CD1-CE1 4.49Å; I670-F748 HydrophobicContact CD1-CG 4.04Å; I670-F748 HydrophobicContact CG1-CD1 4.07Å; I671-F748 WeakPolarHBondContact O-CA 3.33Å; L672-F748 HydrophobicContact CB-CD1 4.13Å; L672-F748 HydrophobicContact CB-CE1 3.61Å; L672-F748 HydrophobicContact CB-CZ 4.1Å; L672-F748 HydrophobicContact CD1-CD2 4.42Å; L672-F748 HydrophobicContact CD1-CE1 4Å; L672-F748 HydrophobicContact CD1-CE2 3.88Å; L672-F748 HydrophobicContact CD1-CZ 3.65Å; L672-F748 HydrophobicContact CG-CE1 4.35Å; L672-F748 HydrophobicContact CG-CZ 4.35Å; G729-F748 CarbonylContact C-O 3.53Å; G729-F748 WeakPolarHBondContact CA-O 3.15Å; Y730-F748 PolarHBondContact N-O 3.24Å; Y730-F748 PolarHBondContact O-N 2.92Å; Q732-F748 VanDerWaalsContact OE1-CE2 3.31Å
749	I	96.2	Very high	90.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.7	172.9	61.4	172.3	0	0	0	109.9	L646 I670 I671 V673 I689 I728 L754	L646-I749 HydrophobicContact CD1-CD1 4.32Å; L646-I749 HydrophobicContact CD2-CD1 3.74Å; L646-I749 HydrophobicContact CG-CD1 4.4Å; I670-I749 CarbonylContact C-O 3.55Å; I670-I749 VanDerWaalsContact CA-O 3.27Å; I670-I749 WeakPolarHBondContact CA-O 3.19Å; I671-I749 HydrophobicContact CB-CG1 4Å; I671-I749 HydrophobicContact CD1-CD1 4.28Å; I671-I749 HydrophobicContact CD1-CG1 4.11Å; I671-I749 PolarHBondContact N-O 3.5Å; I671-I749 PolarHBondContact O-N 3.15Å; V673-I749 HydrophobicContact CG1-CD1 3.69Å; V673-I749 HydrophobicContact CG1-CG1 3.78Å; V673-I749 HydrophobicContact CG2-CG1 4.45Å; V673-I749 HydrophobicContact CG2-CG2 3.89Å; I689-I749 HydrophobicContact CD1-CG2 3.93Å; I689-I749 HydrophobicContact CG2-CG2 4.39Å; I728-I749 HydrophobicContact CD1-CG2 4.04Å; I728-I749 HydrophobicContact CG1-CG2 4.14Å; I728-I749 CarbonylContact O-C 3.53Å; I728-I749 VanDerWaalsContact O-CA 3.26Å; I728-I749 WeakPolarHBondContact O-CA 3.41Å; I728-I749 WeakPolarHBondContact O-CB 3.2Å; I749-L754 HydrophobicContact CD1-CD2 4.08Å
750	S	95.4	Very high	90.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135.5	173	167.1	0	0	0	0	110.7	I728 S752 A753 L754	I728-S750 PolarHBondContact O-N 2.67Å; S750-S752 PolarHBondContact OG-N 3.06Å; S750-S752 PolarHBondContact OG-OG 3.09Å; S750-A753 PolarHBondContact OG-N 2.92Å; S750-L754 WeakPolarHBondContact O-CB 3.47Å; S750-L754 PolarHBondContact O-N 3.46Å
751	I	92.9	Very high	90	Very high	4 Å²	4	18 Å²	18	2%	0.021	10%	0.097	C	C	.	.	H	α-helix	trans	-63.4	-43.8	174.5	-67.6	-177.2	0	0	0	110.8	L632 V642 L659 L666 A669 I671 L754 S755	L632-I751 HydrophobicContact CB-CD1 4.44Å; L632-I751 HydrophobicContact CD2-CD1 3.56Å; V642-I751 HydrophobicContact CG2-CD1 4.39Å; L659-I751 HydrophobicContact CD1-CG2 3.71Å; L659-I751 HydrophobicContact CD2-CG2 4.4Å; L666-I751 HydrophobicContact CD2-CD1 4.4Å; A669-I751 HydrophobicContact CB-CD1 3.62Å; A669-I751 HydrophobicContact CB-CG1 4.25Å; A669-I751 PolarHBondContact O-N 3.34Å; I671-I751 HydrophobicContact CD1-CB 4.42Å; I671-I751 HydrophobicContact CD1-CD1 3.98Å; I671-I751 HydrophobicContact CD1-CG1 3.26Å; I671-I751 HydrophobicContact CG1-CD1 3.93Å; I671-I751 HydrophobicContact CG1-CG1 3.59Å; I751-L754 PolarHBondContact O-N 3.45Å; I751-S755 WeakPolarHBondContact O-CB 3.44Å; I751-S755 PolarHBondContact O-N 3.4Å
752	S	91.2	Very high	89	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.8	-43.6	-179.7	52.5	0	0	0	0	111.2	L667 S750 L754 S755 N756	L667-S752 PolarHBondContact O-OG 2.86Å; S750-S752 PolarHBondContact OG-N 3.06Å; S750-S752 PolarHBondContact OG-OG 3.09Å; S752-L754 PolarHBondContact O-N 3.38Å; S752-S755 PolarHBondContact O-N 3.1Å; S752-N756 PolarHBondContact O-N 3.4Å
753	A	90.9	Very high	87.7	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.8	-39.8	175.5	0	0	0	0	0	112.5	N594 L726 I728 S750 A757	N594-A753 HydrophobicContact CB-CB 4.48Å; N594-A753 WeakPolarHBondContact ND2-CB 3.47Å; L726-A753 WeakPolarHBondContact CD2-O 3.3Å; I728-A753 HydrophobicContact CB-CB 4.25Å; I728-A753 HydrophobicContact CG2-CB 4.2Å; S750-A753 PolarHBondContact OG-N 2.92Å; A753-A757 WeakPolarHBondContact O-CB 3.39Å; A753-A757 PolarHBondContact O-N 2.84Å
754	L	90.6	Very high	86.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65	-43.5	175.6	179.7	64.4	0	0	0	111.9	M645 L646 I749 S750 I751 S752 A757 L758 Y769	M645-L754 HydrophobicContact CB-CD2 4.04Å; M645-L754 HydrophobicContact CE-CD2 4.29Å; M645-L754 HydrophobicContact CE-CG 4.3Å; L646-L754 HydrophobicContact CD2-CD1 3.83Å; L646-L754 HydrophobicContact CD2-CD2 3.76Å; L646-L754 HydrophobicContact CD2-CG 4.47Å; L646-L754 HydrophobicContact CG-CD2 4.12Å; I749-L754 HydrophobicContact CD1-CD2 4.08Å; S750-L754 WeakPolarHBondContact O-CB 3.47Å; S750-L754 PolarHBondContact O-N 3.46Å; I751-L754 PolarHBondContact O-N 3.45Å; S752-L754 PolarHBondContact O-N 3.38Å; L754-A757 PolarHBondContact O-N 3.12Å; L754-L758 HydrophobicContact CD1-CD1 4.24Å; L754-L758 HydrophobicContact CG-CD1 3.96Å; L754-L758 WeakPolarHBondContact O-CB 3.42Å; L754-L758 WeakPolarHBondContact O-CG 3.48Å; L754-L758 PolarHBondContact O-N 3.12Å; L754-Y769 HydrophobicContact CD1-CE1 4.31Å
755	S	89.9	Confident	84.9	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-46.5	175.9	172	0	0	0	0	111.3	L654 L656 I751 S752 A757 L758 N759	L654-S755 PolarHBondContact O-OG 3.4Å; L656-S755 PolarHBondContact N-OG 3.39Å; I751-S755 WeakPolarHBondContact O-CB 3.44Å; I751-S755 PolarHBondContact O-N 3.4Å; S752-S755 PolarHBondContact O-N 3.1Å; S755-A757 PolarHBondContact O-N 2.94Å; S755-L758 PolarHBondContact O-N 3.16Å; S755-N759 PolarHBondContact O-N 2.9Å; S755-N759 PolarHBondContact O-ND2 3.33Å; S755-N759 PolarHBondContact OG-ND2 2.92Å
756	N	87.7	Confident	83.7	Confident	16 Å²	16	41.6 Å²	41.6	9%	0.086	20%	0.203	C	C	.	.	H	α-helix	trans	-59.6	-45.7	175.2	-78.3	-19.9	0	0	0	112.1	N594 L656 L726 S752 L758 N759 L760	N594-N756 WeakPolarHBondContact CA-ND2 3.49Å; N594-N756 WeakPolarHBondContact CB-ND2 3.43Å; N594-N756 PolarHBondContact O-ND2 2.92Å; N594-N756 PolarHBondContact OD1-ND2 3.21Å; L656-N756 WeakPolarHBondContact CD1-OD1 3.42Å; L656-N756 VanDerWaalsContact CG-OD1 3.32Å; L656-N756 WeakPolarHBondContact CG-OD1 3.47Å; L726-N756 HydrophobicContact CD2-CB 4.17Å; S752-N756 PolarHBondContact O-N 3.4Å; N756-L758 VanDerWaalsContact C-N 3.34Å; N756-L758 PolarHBondContact O-N 3Å; N756-N759 PolarHBondContact O-N 3.46Å; N756-L760 WeakPolarHBondContact O-CB 3.18Å; N756-L760 VanDerWaalsContact O-CG 3.3Å; N756-L760 WeakPolarHBondContact O-CG 3.05Å; N756-L760 PolarHBondContact O-N 3.29Å
757	A	86.1	Confident	82.8	Confident	2 Å²	2	42.7 Å²	42.7	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-58.1	-46	174.9	0	0	0	0	0	111.5	A691 L726 I728 A753 L754 S755 N759 I761	A691-A757 HydrophobicContact CB-CB 3.73Å; L726-A757 HydrophobicContact CD2-CB 3.79Å; I728-A757 HydrophobicContact CG2-CB 4.21Å; A753-A757 WeakPolarHBondContact O-CB 3.39Å; A753-A757 PolarHBondContact O-N 2.84Å; L754-A757 PolarHBondContact O-N 3.12Å; S755-A757 PolarHBondContact O-N 2.94Å; A757-N759 VanDerWaalsContact C-N 3.33Å; A757-N759 PolarHBondContact O-N 3.31Å; A757-I761 WeakPolarHBondContact O-CB 3.36Å; A757-I761 WeakPolarHBondContact O-CD1 3.48Å; A757-I761 WeakPolarHBondContact O-CG1 3.4Å; A757-I761 PolarHBondContact O-N 3.43Å; A757-I761 VanDerWaalsContact O-N 3.1Å
758	L	84.8	Confident	82.3	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-37.2	179.7	-79.6	159.4	0	0	0	113.3	M645 K653 L754 S755 N756 I767	M645-L758 HydrophobicContact CB-CD1 3.79Å; M645-L758 HydrophobicContact CE-CD1 3.73Å; M645-L758 HydrophobicContact CG-CD1 4.11Å; K653-L758 HydrophobicContact CG-CD2 4.27Å; L754-L758 HydrophobicContact CD1-CD1 4.24Å; L754-L758 HydrophobicContact CG-CD1 3.96Å; L754-L758 WeakPolarHBondContact O-CB 3.42Å; L754-L758 WeakPolarHBondContact O-CG 3.48Å; L754-L758 PolarHBondContact O-N 3.12Å; S755-L758 PolarHBondContact O-N 3.16Å; N756-L758 VanDerWaalsContact C-N 3.34Å; N756-L758 PolarHBondContact O-N 3Å; L758-I767 HydrophobicContact CB-CD1 4.45Å; L758-I767 HydrophobicContact CD2-CD1 3.27Å; L758-I767 HydrophobicContact CD2-CG1 4.36Å; L758-I767 HydrophobicContact CG-CD1 3.7Å
759	N	82.5	Confident	82.1	Confident	69 Å²	69	48.1 Å²	48.1	37%	0.369	23%	0.232	S	C	.	.	H	α-helix	trans	-81.5	-33	-177.9	-67.6	-43.9	0	0	0	113	L654 S655 S755 N756 A757 I761	L654-N759 PolarHBondContact O-ND2 3.17Å; L654-N759 VanDerWaalsContact O-ND2 3.12Å; S655-N759 WeakPolarHBondContact CA-ND2 3.37Å; S755-N759 PolarHBondContact O-N 2.9Å; S755-N759 PolarHBondContact O-ND2 3.33Å; S755-N759 PolarHBondContact OG-ND2 2.92Å; N756-N759 PolarHBondContact O-N 3.46Å; A757-N759 VanDerWaalsContact C-N 3.33Å; A757-N759 PolarHBondContact O-N 3.31Å; N759-I761 VanDerWaalsContact C-N 3.31Å
760	L	79.5	Confident	81.9	Confident	128 Å²	128	48.6 Å²	48.6	67%	0.67	24%	0.235	S	C	*	.	H	α-helix	trans	-69.3	-32.2	172.7	-72	168.5	0	0	0	111.7	N756 N762	N756-L760 WeakPolarHBondContact O-CB 3.18Å; N756-L760 VanDerWaalsContact O-CG 3.3Å; N756-L760 WeakPolarHBondContact O-CG 3.05Å; N756-L760 PolarHBondContact O-N 3.29Å; L760-N762 PolarHBondContact O-N 3.1Å
761	I	71.7	Confident	81.8	Confident	7 Å²	7	48.6 Å²	48.6	4%	0.036	24%	0.235	C	C	.	.			trans	-84.7	82.2	180	-57.6	173.5	0	0	0	108.9	Y693 A757 N759 T763 I767	Y693-I761 HydrophobicContact CD1-CD1 4.4Å; Y693-I761 HydrophobicContact CD1-CG1 4.11Å; Y693-I761 HydrophobicContact CG-CG1 4.27Å; A757-I761 WeakPolarHBondContact O-CB 3.36Å; A757-I761 WeakPolarHBondContact O-CD1 3.48Å; A757-I761 WeakPolarHBondContact O-CG1 3.4Å; A757-I761 PolarHBondContact O-N 3.43Å; A757-I761 VanDerWaalsContact O-N 3.1Å; N759-I761 VanDerWaalsContact C-N 3.31Å; I761-T763 HydrophobicContact CG2-CG2 4.32Å; I761-T763 WeakPolarHBondContact CG2-OG1 3.37Å; I761-T763 PolarHBondContact O-N 3.31Å; I761-I767 HydrophobicContact CD1-CD1 3.96Å; I761-I767 HydrophobicContact CD1-CG1 3.96Å; I761-I767 HydrophobicContact CD1-CG2 4.2Å; I761-I767 HydrophobicContact CG2-CG1 4.42Å
762	N	65.1	Low	81.8	Confident	155 Å²	155	49.2 Å²	49.2	83%	0.829	24%	0.238	S	C	*	.			trans	-73	22.2	179.9	-155.2	11.1	0	0	0	113.9	L760	L760-N762 PolarHBondContact O-N 3.1Å
763	T	62.7	Low	81.9	Confident	31 Å²	31	49.7 Å²	49.7	19%	0.19	24%	0.24	C	C	.	.			trans	-96.2	146.5	-179	77.1	0	0	0	0	110.9	K653 I761 K765	K653-T763 PolarHBondContact NZ-O 2.98Å; I761-T763 HydrophobicContact CG2-CG2 4.32Å; I761-T763 WeakPolarHBondContact CG2-OG1 3.37Å; I761-T763 PolarHBondContact O-N 3.31Å; T763-K765 PolarHBondContact O-N 2.89Å; T763-K765 PolarHBondContact OG1-N 3.47Å
764	N	63	Low	81.8	Confident	146 Å²	146	50.4 Å²	50.4	78%	0.781	25%	0.245	S	C	*	.	S	Bend	trans	-73.6	-2	167.3	-72.9	-30	0	0	0	112.5
765	K	67	Low	81.6	Confident	112 Å²	112	53.8 Å²	53.8	49%	0.487	27%	0.265	S	S	.	.	S	Bend	trans	-82.2	149.2	-179.6	-67.5	172.6	179.4	147.1	0	109.7	E696 T763 I767	E696-K765 IonicContact OE1-NZ 2.6Å; E696-K765 PolarHBondContact OE1-NZ 3.06Å; T763-K765 PolarHBondContact O-N 2.89Å; T763-K765 PolarHBondContact OG1-N 3.47Å; K765-I767 PolarHBondContact O-N 3.43Å
766	R	70.1	Confident	81.4	Confident	200 Å²	200	54.9 Å²	54.9	76%	0.755	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-61.5	134.3	173.7	-76.1	-175.8	177.7	157.1	1.4	110.2	K768	R766-K768 PolarHBondContact O-N 2.88Å
767	I	78.4	Confident	81.2	Confident	23 Å²	23	58.8 Å²	58.8	12%	0.118	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-60.3	133.9	172.3	-62.7	-177.9	0	0	0	108.9	A691 L758 I761 K765 Y769	A691-I767 HydrophobicContact CB-CG2 4.1Å; L758-I767 HydrophobicContact CB-CD1 4.45Å; L758-I767 HydrophobicContact CD2-CD1 3.27Å; L758-I767 HydrophobicContact CD2-CG1 4.36Å; L758-I767 HydrophobicContact CG-CD1 3.7Å; I761-I767 HydrophobicContact CD1-CD1 3.96Å; I761-I767 HydrophobicContact CD1-CG1 3.96Å; I761-I767 HydrophobicContact CD1-CG2 4.2Å; I761-I767 HydrophobicContact CG2-CG1 4.42Å; K765-I767 PolarHBondContact O-N 3.43Å; I767-Y769 HydrophobicContact CB-CE1 4.48Å; I767-Y769 HydrophobicContact CB-CE2 4.47Å; I767-Y769 HydrophobicContact CG2-CD1 4.08Å; I767-Y769 HydrophobicContact CG2-CE1 3.61Å; I767-Y769 HydrophobicContact CG2-CE2 4.25Å
768	K	86.3	Confident	81.2	Confident	102 Å²	102	63.1 Å²	63.1	44%	0.443	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.3	169.3	-68.2	-173.9	179.5	-177.9	0	108.6	F692 R766	F692-K768 PolarHBondContact N-O 2.97Å; R766-K768 PolarHBondContact O-N 2.88Å
769	Y	91.8	Very high	81.4	Confident	13 Å²	13	64.6 Å²	64.6	5%	0.051	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.6	174.3	-53.7	-79.2	0	0	0	108.9	L646 Y690 A691 I728 L754 I767 T781 V782 L784	L646-Y769 HydrophobicContact CD2-CE1 4.44Å; L646-Y769 PolarHBondContact O-OH 3.26Å; Y690-Y769 VanDerWaalsContact O-CA 3.3Å; Y690-Y769 WeakPolarHBondContact O-CA 3.25Å; A691-Y769 HydrophobicContact CB-CD1 4.23Å; A691-Y769 HydrophobicContact CB-CE1 4.28Å; I728-Y769 HydrophobicContact CD1-CD1 3.7Å; I728-Y769 HydrophobicContact CD1-CE1 3.83Å; L754-Y769 HydrophobicContact CD1-CE1 4.31Å; I767-Y769 HydrophobicContact CB-CE1 4.48Å; I767-Y769 HydrophobicContact CB-CE2 4.47Å; I767-Y769 HydrophobicContact CG2-CD1 4.08Å; I767-Y769 HydrophobicContact CG2-CE1 3.61Å; I767-Y769 HydrophobicContact CG2-CE2 4.25Å; Y769-T781 WeakPolarHBondContact O-CA 3.45Å; Y769-V782 PolarHBondContact O-N 2.79Å; Y769-L784 HydrophobicContact CD1-CD1 3.55Å; Y769-L784 HydrophobicContact CD1-CG 4.37Å; Y769-L784 HydrophobicContact CD2-CB 4.34Å; Y769-L784 HydrophobicContact CD2-CD1 3.91Å; Y769-L784 HydrophobicContact CD2-CG 3.89Å; Y769-L784 HydrophobicContact CE1-CD1 3.94Å; Y769-L784 HydrophobicContact CE2-CD1 4.27Å; Y769-L784 HydrophobicContact CE2-CG 4.46Å; Y769-L784 HydrophobicContact CG-CD1 3.52Å; Y769-L784 HydrophobicContact CG-CG 3.83Å
770	C	92.7	Very high	81.8	Confident	10 Å²	10	63.3 Å²	63.3	7%	0.068	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154.4	173.3	65.9	0	0	0	0	110.7	Y690 Y780	Y690-C770 PolarHBondContact N-O 3.25Å; Y690-C770 PolarHBondContact O-N 3.48Å; C770-Y780 CarbonylContact C-O 3.56Å; C770-Y780 WeakPolarHBondContact CA-O 3.18Å
771	I	93.5	Very high	82.4	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.8	173.3	60.1	168.4	0	0	0	110.3	L675 T677 P683 R688 I689 V731 S779 Y780 V782	L675-I771 HydrophobicContact CD2-CG2 3.77Å; T677-I771 HydrophobicContact CG2-CD1 4.42Å; P683-I771 HydrophobicContact CB-CD1 3.65Å; P683-I771 HydrophobicContact CG-CD1 3.59Å; R688-I771 CarbonylContact O-C 3.5Å; R688-I771 VanDerWaalsContact O-CA 3.23Å; R688-I771 WeakPolarHBondContact O-CA 3.24Å; I689-I771 HydrophobicContact CG1-CG2 4.3Å; V731-I771 HydrophobicContact CG2-CG2 4.38Å; I771-S779 CarbonylContact O-C 3.51Å; I771-S779 VanDerWaalsContact O-CA 3.24Å; I771-S779 WeakPolarHBondContact O-CA 3.28Å; I771-Y780 HydrophobicContact CG1-CD2 4.42Å; I771-Y780 PolarHBondContact N-O 3.28Å; I771-Y780 PolarHBondContact O-N 3.05Å; I771-V782 HydrophobicContact CB-CG1 4.36Å; I771-V782 HydrophobicContact CD1-CG1 3.93Å; I771-V782 HydrophobicContact CG1-CG1 3.77Å; I771-V782 HydrophobicContact CG2-CB 4.44Å; I771-V782 HydrophobicContact CG2-CG1 3.79Å; I771-V782 HydrophobicContact CG2-CG2 3.8Å
772	Q	92.5	Very high	83.4	Confident	18 Å²	18	58.3 Å²	58.3	8%	0.084	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	119.9	169.7	-170.7	-178.7	-4.6	0	0	109.2	A687 R688 Y690 S776	A687-Q772 CarbonylContact C-O 3.54Å; A687-Q772 VanDerWaalsContact CA-O 3.24Å; A687-Q772 WeakPolarHBondContact CA-O 3.26Å; A687-Q772 WeakPolarHBondContact CB-O 3.08Å; R688-Q772 PolarHBondContact N-O 2.95Å; R688-Q772 PolarHBondContact O-N 3.24Å; Y690-Q772 HydrophobicContact CD2-CB 4.45Å; Y690-Q772 HydrophobicContact CE2-CB 3.97Å; Q772-S776 VanDerWaalsContact CG-O 3.31Å; Q772-S776 WeakPolarHBondContact CG-O 3.3Å; Q772-S776 PolarHBondContact NE2-O 3.28Å
773	N	92.8	Very high	84.7	Confident	10 Å²	10	58.8 Å²	58.8	5%	0.053	28%	0.276	C	S	.	.			trans	-71.1	148.9	177	-76.1	-26.8	0	0	0	110.5	V682 Q684 A687 T775 S776	V682-N773 PolarHBondContact O-ND2 2.72Å; Q684-N773 PolarHBondContact N-OD1 3.46Å; A687-N773 WeakPolarHBondContact CB-OD1 3.32Å; N773-T775 PolarHBondContact O-N 3.32Å; N773-S776 PolarHBondContact O-N 2.92Å
774	P	88.8	Confident	86.2	Confident	14 Å²	14	58.4 Å²	58.4	9%	0.091	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.8	-169.7	24.7	-35.5	0	0	0	115	I579	I579-P774 HydrophobicContact CD1-CB 4.01Å; I579-P774 VanDerWaalsContact CD1-O 3.25Å; I579-P774 WeakPolarHBondContact CD1-O 3.37Å
775	T	86.2	Confident	87.7	Confident	71 Å²	71	54 Å²	54	44%	0.436	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	20.8	179	64.1	0	0	0	0	112.5	P572 F574 N773	P572-T775 HydrophobicContact CB-CG2 4.35Å; P572-T775 HydrophobicContact CG-CG2 4.2Å; F574-T775 HydrophobicContact CE1-CG2 4.3Å; N773-T775 PolarHBondContact O-N 3.32Å
776	S	86.3	Confident	88.9	Confident	24 Å²	24	49.3 Å²	49.3	17%	0.168	23%	0.234	C	C	.	.			trans	-134.4	143.4	-178.3	-170.6	0	0	0	0	111.5	Q772 N773 E778	Q772-S776 VanDerWaalsContact CG-O 3.31Å; Q772-S776 WeakPolarHBondContact CG-O 3.3Å; Q772-S776 PolarHBondContact NE2-O 3.28Å; N773-S776 PolarHBondContact O-N 2.92Å; S776-E778 VanDerWaalsContact C-N 3.35Å; S776-E778 WeakPolarHBondContact OG-CB 3.4Å; S776-E778 PolarHBondContact OG-N 3.03Å
777	H	83.4	Confident	89.8	Confident	97 Å²	97	40.8 Å²	40.8	45%	0.449	21%	0.205	S	C	.	.	S	Bend	trans	-86.5	-11.1	165.7	-67.9	-75.6	0	0	0	112.3	K576 F577	K576-H777 PolarHBondContact O-CE1 3.4Å; F577-H777 AromaticContact CD1-CD2 3.88Å; F577-H777 AromaticContact CD1-CE1 3.51Å; F577-H777 AromaticContact CD1-ND1 3.81Å; F577-H777 AromaticContact CD1-NE2 3.54Å; F577-H777 AromaticContact CE1-CD2 3.41Å; F577-H777 VanDerWaalsContact CE1-CD2 3.41Å; F577-H777 WeakPolarHBondContact CE1-CD2 3.46Å; F577-H777 AromaticContact CE1-CE1 3.78Å; F577-H777 AromaticContact CE1-CG 3.94Å; F577-H777 AromaticContact CE1-NE2 3.29Å; F577-H777 VanDerWaalsContact CE1-NE2 3.29Å; F577-H777 WeakPolarHBondContact CE1-NE2 3.35Å
778	E	86.8	Confident	89.9	Confident	94 Å²	94	42.1 Å²	42.1	44%	0.439	21%	0.211	S	C	.	.			trans	-74.6	130.7	178.4	-59.4	-171.2	164.3	0	0	110.7	S776 Y780	S776-E778 VanDerWaalsContact C-N 3.35Å; S776-E778 WeakPolarHBondContact OG-CB 3.4Å; S776-E778 PolarHBondContact OG-N 3.03Å; E778-Y780 HydrophobicContact CB-CE1 4.34Å; E778-Y780 HydrophobicContact CB-CE2 4.42Å; E778-Y780 PolarHBondContact OE2-OH 3.01Å
779	S	88.4	Confident	90.1	Very high	32 Å²	32	39.1 Å²	39.1	22%	0.224	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	145.2	169.4	62.3	0	0	0	0	110.4	I771	I771-S779 CarbonylContact O-C 3.51Å; I771-S779 VanDerWaalsContact O-CA 3.24Å; I771-S779 WeakPolarHBondContact O-CA 3.28Å
780	Y	90.6	Very high	90	Very high	43 Å²	43	40.5 Å²	40.5	17%	0.169	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.7	176.9	-54	-71.5	0	0	0	110.4	R680 C770 I771 E778	R680-Y780 WeakPolarHBondContact O-CD1 3.48Å; C770-Y780 CarbonylContact C-O 3.56Å; C770-Y780 WeakPolarHBondContact CA-O 3.18Å; I771-Y780 HydrophobicContact CG1-CD2 4.42Å; I771-Y780 PolarHBondContact N-O 3.28Å; I771-Y780 PolarHBondContact O-N 3.05Å; E778-Y780 HydrophobicContact CB-CE1 4.34Å; E778-Y780 HydrophobicContact CB-CE2 4.42Å; E778-Y780 PolarHBondContact OE2-OH 3.01Å
781	T	91.9	Very high	89.8	Confident	23 Å²	23	42.2 Å²	42.2	14%	0.141	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	135.3	176.9	56.9	0	0	0	0	111.4	E678 Y769	E678-T781 PolarHBondContact N-O 3.44Å; Y769-T781 WeakPolarHBondContact O-CA 3.45Å
782	V	93.5	Very high	89.6	Confident	6 Å²	6	44.6 Å²	44.6	4%	0.036	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.2	-179.9	-65.7	0	0	0	0	111.3	L675 K676 T677 Y769 I771 L784	L675-V782 HydrophobicContact CD2-CG2 4.35Å; K676-V782 CarbonylContact O-C 3.46Å; K676-V782 WeakPolarHBondContact O-CA 3.27Å; T677-V782 HydrophobicContact CG2-CG1 3.97Å; Y769-V782 PolarHBondContact O-N 2.79Å; I771-V782 HydrophobicContact CB-CG1 4.36Å; I771-V782 HydrophobicContact CD1-CG1 3.93Å; I771-V782 HydrophobicContact CG1-CG1 3.77Å; I771-V782 HydrophobicContact CG2-CB 4.44Å; I771-V782 HydrophobicContact CG2-CG1 3.79Å; I771-V782 HydrophobicContact CG2-CG2 3.8Å; V782-L784 HydrophobicContact CG2-CD2 4.07Å
783	R	92.9	Very high	89.4	Confident	165 Å²	165	46.3 Å²	46.3	62%	0.623	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	132.6	160.3	-77.6	-176.2	-175.8	-174.7	-3.9	109.6	L675 K676 E678	L675-R783 WeakPolarHBondContact CA-O 3.21Å; K676-R783 PolarHBondContact N-O 3.41Å; K676-R783 PolarHBondContact O-N 3.11Å; E678-R783 HydrophobicContact CG-CG 4.1Å; E678-R783 WeakPolarHBondContact OE1-CG 3.47Å; E678-R783 IonicContact OE1-CZ 2.75Å; E678-R783 IonicContact OE1-NE 2.81Å; E678-R783 PolarHBondContact OE1-NE 3.43Å; E678-R783 IonicContact OE1-NH2 3.9Å
784	L	94	Very high	89.2	Confident	23 Å²	23	48.7 Å²	48.7	12%	0.12	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.6	172.5	-57.3	-177.4	0	0	0	109.5	L646 V673 Y674 L675 I689 I728 Y769 V782	L646-L784 HydrophobicContact CD1-CB 4.27Å; L646-L784 HydrophobicContact CD2-CB 4.42Å; L646-L784 HydrophobicContact CD2-CD1 4.3Å; V673-L784 HydrophobicContact CG2-CD2 4.47Å; Y674-L784 WeakPolarHBondContact O-CA 3.29Å; L675-L784 HydrophobicContact CB-CD2 4.31Å; L675-L784 HydrophobicContact CD2-CD2 3.53Å; L675-L784 HydrophobicContact CG-CD2 3.57Å; I689-L784 HydrophobicContact CG2-CD1 4.08Å; I689-L784 HydrophobicContact CG2-CD2 4.38Å; I728-L784 HydrophobicContact CD1-CD1 4.07Å; Y769-L784 HydrophobicContact CD1-CD1 3.55Å; Y769-L784 HydrophobicContact CD1-CG 4.37Å; Y769-L784 HydrophobicContact CD2-CB 4.34Å; Y769-L784 HydrophobicContact CD2-CD1 3.91Å; Y769-L784 HydrophobicContact CD2-CG 3.89Å; Y769-L784 HydrophobicContact CE1-CD1 3.94Å; Y769-L784 HydrophobicContact CE2-CD1 4.27Å; Y769-L784 HydrophobicContact CE2-CG 4.46Å; Y769-L784 HydrophobicContact CG-CD1 3.52Å; Y769-L784 HydrophobicContact CG-CG 3.83Å; V782-L784 HydrophobicContact CG2-CD2 4.07Å
785	S	93.3	Very high	89.2	Confident	53 Å²	53	51.2 Å²	51.2	37%	0.371	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.1	168.6	56.2	0	0	0	0	109.6	V673 Y674	V673-S785 WeakPolarHBondContact CA-O 3.47Å; Y674-S785 WeakPolarHBondContact CD1-OG 3.41Å; Y674-S785 PolarHBondContact N-O 3.17Å; Y674-S785 PolarHBondContact O-N 3.04Å
786	V	92.8	Very high	89.4	Confident	14 Å²	14	49.7 Å²	49.7	9%	0.085	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	135.8	175.2	-172.1	0	0	0	0	109.7	L638 V642 H643 L646 I671 I788	L638-V786 HydrophobicContact CB-CG1 4.08Å; L638-V786 HydrophobicContact CD2-CG1 3.86Å; L638-V786 HydrophobicContact CG-CG1 4.44Å; V642-V786 HydrophobicContact CB-CG2 4.31Å; V642-V786 HydrophobicContact CG1-CG1 4.45Å; V642-V786 HydrophobicContact CG1-CG2 3.65Å; H643-V786 HydrophobicContact CB-CG2 4.12Å; L646-V786 HydrophobicContact CD1-CG2 3.48Å; L646-V786 VanDerWaalsContact CD1-CG2 3.48Å; L646-V786 HydrophobicContact CG-CG2 4.34Å; I671-V786 HydrophobicContact CG2-CG1 3.95Å; V786-I788 HydrophobicContact CB-CG1 4.42Å; V786-I788 HydrophobicContact CG1-CG1 4.12Å
787	V	88.8	Confident	89.7	Confident	21 Å²	21	51.8 Å²	51.8	13%	0.127	25%	0.254	C	S	.	.			trans	-89.9	110.2	167	178.9	0	0	0	0	107.8	A530 L672 L746	A530-V787 HydrophobicContact CB-CG1 4Å; A530-V787 HydrophobicContact CB-CG2 4.41Å; L672-V787 HydrophobicContact CB-CB 4.44Å; L672-V787 HydrophobicContact CD2-CB 3.91Å; L672-V787 HydrophobicContact CD2-CG1 3.88Å; L672-V787 HydrophobicContact CD2-CG2 4.34Å; L672-V787 HydrophobicContact CG-CB 3.91Å; L672-V787 HydrophobicContact CG-CG1 4.43Å; L672-V787 HydrophobicContact CG-CG2 4.07Å; L672-V787 PolarHBondContact O-N 3.08Å; L746-V787 HydrophobicContact CD2-CG2 4.38Å
788	I	80.2	Confident	90.3	Very high	51 Å²	51	47.7 Å²	47.7	26%	0.262	24%	0.236	S	C	.	.			trans	-92.8	0	-178.5	-54.2	171.7	0	0	0	109.6	R469 R533 P635 L638 R639 V786	R469-I788 PolarHBondContact NH1-O 3.17Å; R533-I788 PolarHBondContact NH2-OXT 2.9Å; P635-I788 HydrophobicContact CB-CG2 4.06Å; L638-I788 HydrophobicContact CB-CG1 4.31Å; R639-I788 HydrophobicContact CB-CD1 3.99Å; R639-I788 HydrophobicContact CG-CD1 4.12Å; V786-I788 HydrophobicContact CB-CG1 4.42Å; V786-I788 HydrophobicContact CG1-CG1 4.12Å

Retrieved 788 of 788 residues in 158.9 ms (Link to these results)

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