A0A5K4F5F5_SCHMA Loading...

Leishmanolysin-like peptidase

AlphaFold DB , UniProt , Accession A0A5K4F5F5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 554 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	53.4	Low	51.1	Low	191 Å²	191	125.9 Å²	125.9	94%	0.941	63%	0.629	S	S	*	*				0	-43.6	0	-100.3	-169.4	74.7	0	0	114	L3 L4 L5	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.22Å; M1-L4 PolarHBondContact O-N 3.34Å; M1-L5 PolarHBondContact O-N 2.86Å
2	L	51.2	Low	50.4	Low	144 Å²	144	126.3 Å²	126.3	75%	0.754	62%	0.624	S	S	*	*	H	α-helix	trans	-59.3	-36.7	178.9	-101.9	87.5	0	0	0	114.3	L4 L5 V6	L2-L4 VanDerWaalsContact C-N 3.35Å; L2-L4 PolarHBondContact O-N 2.69Å; L2-L5 PolarHBondContact O-N 2.86Å; L2-V6 WeakPolarHBondContact O-CG2 3.48Å; L2-V6 PolarHBondContact O-N 2.76Å; L2-V6 VanDerWaalsContact O-N 3.1Å
3	L	52.9	Low	49.9	Very low	141 Å²	141	122.3 Å²	122.3	74%	0.738	61%	0.606	S	S	*	*	H	α-helix	trans	-65.6	-34.1	-180	-124	87.4	0	0	0	113.5	M1 V6 I7	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.22Å; L3-V6 PolarHBondContact O-N 2.75Å; L3-I7 VanDerWaalsContact O-CG1 3.3Å; L3-I7 WeakPolarHBondContact O-CG1 3.33Å; L3-I7 PolarHBondContact O-N 2.87Å; L3-I7 VanDerWaalsContact O-N 3.11Å
4	L	50.5	Low	49.4	Very low	121 Å²	121	124.6 Å²	124.6	63%	0.634	61%	0.61	S	S	*	*	H	α-helix	trans	-73.1	-34.4	178.5	-104.5	141.6	0	0	0	111.9	M1 L2 L8	M1-L4 PolarHBondContact O-N 3.34Å; L2-L4 VanDerWaalsContact C-N 3.35Å; L2-L4 PolarHBondContact O-N 2.69Å; L4-L8 WeakPolarHBondContact O-CB 3.28Å; L4-L8 PolarHBondContact O-N 2.53Å
5	L	49.4	Very low	48.7	Very low	108 Å²	108	125.7 Å²	125.7	57%	0.565	61%	0.614	S	S	*	*	H	α-helix	trans	-69.3	-36.4	173.3	-85.2	155.9	0	0	0	112.1	M1 L2 Y9	M1-L5 PolarHBondContact O-N 2.86Å; L2-L5 PolarHBondContact O-N 2.86Å; L5-Y9 VanDerWaalsContact O-CB 3.26Å; L5-Y9 WeakPolarHBondContact O-CB 3.36Å; L5-Y9 PolarHBondContact O-N 3.32Å
6	V	59.4	Low	48.2	Very low	82 Å²	82	129.4 Å²	129.4	50%	0.497	62%	0.619	S	S	.	*	H	α-helix	trans	-70	-37.9	175.8	174.3	0	0	0	0	111.6	L2 L3 Y9 L10	L2-V6 WeakPolarHBondContact O-CG2 3.48Å; L2-V6 PolarHBondContact O-N 2.76Å; L2-V6 VanDerWaalsContact O-N 3.1Å; L3-V6 PolarHBondContact O-N 2.75Å; V6-Y9 PolarHBondContact O-N 3.4Å; V6-L10 HydrophobicContact CG1-CD1 3.79Å; V6-L10 HydrophobicContact CG1-CG 4.38Å; V6-L10 WeakPolarHBondContact O-CB 3.49Å; V6-L10 VanDerWaalsContact O-CG 3.23Å; V6-L10 WeakPolarHBondContact O-CG 3.5Å; V6-L10 PolarHBondContact O-N 3.47Å
7	I	55.6	Low	47.6	Very low	91 Å²	91	128.4 Å²	128.4	47%	0.467	62%	0.617	S	S	.	*	H	α-helix	trans	-69.1	-39.3	176.1	-66.7	167.6	0	0	0	111.4	L3 L10 F11	L3-I7 VanDerWaalsContact O-CG1 3.3Å; L3-I7 WeakPolarHBondContact O-CG1 3.33Å; L3-I7 PolarHBondContact O-N 2.87Å; L3-I7 VanDerWaalsContact O-N 3.11Å; I7-L10 PolarHBondContact O-N 3Å; I7-F11 HydrophobicContact CG2-CD2 4.12Å; I7-F11 HydrophobicContact CG2-CE2 4.43Å; I7-F11 WeakPolarHBondContact O-CB 3.16Å; I7-F11 PolarHBondContact O-N 3.29Å
8	L	48.8	Very low	47.2	Very low	99 Å²	99	126.7 Å²	126.7	52%	0.518	62%	0.616	S	S	.	*	H	α-helix	trans	-66.6	-38.4	172.9	-87.7	155.3	0	0	0	112.4	L4 F11 F12	L4-L8 WeakPolarHBondContact O-CB 3.28Å; L4-L8 PolarHBondContact O-N 2.53Å; L8-F11 PolarHBondContact O-N 2.8Å; L8-F12 WeakPolarHBondContact O-CB 3.49Å; L8-F12 PolarHBondContact O-N 3.25Å
9	Y	47.1	Very low	46.8	Very low	167 Å²	167	127.9 Å²	127.9	66%	0.655	62%	0.621	S	S	*	*	H	α-helix	trans	-68.6	-36.5	175.5	-160	-102.7	0	0	0	112	L5 V6 F12 L13	L5-Y9 VanDerWaalsContact O-CB 3.26Å; L5-Y9 WeakPolarHBondContact O-CB 3.36Å; L5-Y9 PolarHBondContact O-N 3.32Å; V6-Y9 PolarHBondContact O-N 3.4Å; Y9-F12 PolarHBondContact O-N 3.48Å; Y9-L13 HydrophobicContact CD1-CD1 3.54Å; Y9-L13 HydrophobicContact CE1-CD1 3.5Å; Y9-L13 VanDerWaalsContact CE1-CD1 3.5Å; Y9-L13 HydrophobicContact CE1-CG 4.46Å; Y9-L13 WeakPolarHBondContact O-CB 3.33Å; Y9-L13 PolarHBondContact O-N 3.28Å
10	L	46.5	Very low	46.3	Very low	104 Å²	104	129.7 Å²	129.7	55%	0.545	62%	0.621	S	S	.	*	H	α-helix	trans	-72.8	-32.4	174.5	-73	167.6	0	0	0	112.8	V6 I7 K14	V6-L10 HydrophobicContact CG1-CD1 3.79Å; V6-L10 HydrophobicContact CG1-CG 4.38Å; V6-L10 WeakPolarHBondContact O-CB 3.49Å; V6-L10 VanDerWaalsContact O-CG 3.23Å; V6-L10 WeakPolarHBondContact O-CG 3.5Å; V6-L10 PolarHBondContact O-N 3.47Å; I7-L10 PolarHBondContact O-N 3Å; L10-K14 WeakPolarHBondContact O-CB 3.27Å; L10-K14 PolarHBondContact O-N 3.38Å
11	F	46.9	Very low	45.7	Very low	137 Å²	137	126.4 Å²	126.4	60%	0.601	61%	0.612	S	S	*	*	H	α-helix	trans	-69.6	-40.4	170.6	-101.2	-91.3	0	0	0	112.1	I7 L8 K14 E15	I7-F11 HydrophobicContact CG2-CD2 4.12Å; I7-F11 HydrophobicContact CG2-CE2 4.43Å; I7-F11 WeakPolarHBondContact O-CB 3.16Å; I7-F11 PolarHBondContact O-N 3.29Å; L8-F11 PolarHBondContact O-N 2.8Å; F11-K14 PolarHBondContact O-N 2.92Å; F11-E15 PolarHBondContact O-N 3.1Å; F11-E15 VanDerWaalsContact O-N 3.11Å
12	F	43.6	Very low	44.9	Very low	130 Å²	130	120.4 Å²	120.4	57%	0.57	59%	0.593	S	S	*	*	H	α-helix	trans	-67.8	-32.4	174.4	-100.6	-88.4	0	0	0	113.3	L8 Y9 R16	L8-F12 WeakPolarHBondContact O-CB 3.49Å; L8-F12 PolarHBondContact O-N 3.25Å; Y9-F12 PolarHBondContact O-N 3.48Å; F12-R16 WeakPolarHBondContact O-CB 3.35Å; F12-R16 PolarHBondContact O-N 2.99Å; F12-R16 VanDerWaalsContact O-N 3.13Å
13	L	43.5	Very low	44.4	Very low	75 Å²	75	116.5 Å²	116.5	39%	0.393	58%	0.581	S	S	.	*	H	α-helix	trans	-71.9	-32.5	171.6	-87.2	158.2	0	0	0	112.3	Y9 L17	Y9-L13 HydrophobicContact CD1-CD1 3.54Å; Y9-L13 HydrophobicContact CE1-CD1 3.5Å; Y9-L13 VanDerWaalsContact CE1-CD1 3.5Å; Y9-L13 HydrophobicContact CE1-CG 4.46Å; Y9-L13 WeakPolarHBondContact O-CB 3.33Å; Y9-L13 PolarHBondContact O-N 3.28Å; L13-L17 WeakPolarHBondContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CD1 3.42Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 3.46Å
14	K	42.3	Very low	43.7	Very low	154 Å²	154	114.8 Å²	114.8	67%	0.67	57%	0.57	S	S	*	*	H	α-helix	trans	-74.6	-28.4	178.6	-158.7	172.1	-177.3	179.6	0	112.9	L10 F11 V18	L10-K14 WeakPolarHBondContact O-CB 3.27Å; L10-K14 PolarHBondContact O-N 3.38Å; F11-K14 PolarHBondContact O-N 2.92Å; K14-V18 WeakPolarHBondContact O-CG2 3.37Å
15	E	39.9	Very low	43	Very low	141 Å²	141	113.5 Å²	113.5	66%	0.659	56%	0.563	S	S	*	*	H	α-helix	trans	-82.4	-31.6	170.8	-75.4	-173.9	156.6	0	0	113.1	F11 V18	F11-E15 PolarHBondContact O-N 3.1Å; F11-E15 VanDerWaalsContact O-N 3.11Å; E15-V18 PolarHBondContact O-N 2.84Å
16	R	40.4	Very low	42.4	Very low	185 Å²	185	116 Å²	116	70%	0.698	57%	0.566	S	S	*	*	H	α-helix	trans	-73	-23.9	172.3	-80	-167.7	-179.9	-163.1	2.7	114.4	F12 Y20	F12-R16 WeakPolarHBondContact O-CB 3.35Å; F12-R16 PolarHBondContact O-N 2.99Å; F12-R16 VanDerWaalsContact O-N 3.13Å; R16-Y20 WeakPolarHBondContact O-CB 3.48Å; R16-Y20 PolarHBondContact O-N 2.97Å; R16-Y20 VanDerWaalsContact O-N 3.14Å
17	L	38.5	Very low	41.4	Very low	112 Å²	112	115.9 Å²	115.9	59%	0.586	57%	0.574	S	S	*	*	H	α-helix	trans	-79.3	-17.2	174.4	-81.7	160.9	0	0	0	113.7	L13 S21	L13-L17 WeakPolarHBondContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CD1 3.42Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 3.46Å; L17-S21 WeakPolarHBondContact O-CB 3.32Å; L17-S21 PolarHBondContact O-N 2.86Å; L17-S21 PolarHBondContact O-OG 3.11Å
18	V	40.1	Very low	40.2	Very low	98 Å²	98	116.8 Å²	116.8	59%	0.594	58%	0.58	S	S	*	*	H	α-helix	trans	-82.5	-25	173.5	176.7	0	0	0	0	111.8	K14 E15 S21	K14-V18 WeakPolarHBondContact O-CG2 3.37Å; E15-V18 PolarHBondContact O-N 2.84Å; V18-S21 PolarHBondContact O-OG 3.01Å
19	E	38.9	Very low	39.3	Very low	151 Å²	151	115.9 Å²	115.9	71%	0.706	60%	0.595	S	S	*	*	H	α-helix	trans	-91.1	-27.4	174.5	-68.1	-170.3	151.7	0	0	113.3	A22 A23	E19-A22 PolarHBondContact O-N 2.96Å; E19-A23 PolarHBondContact O-N 3.3Å
20	Y	36.9	Very low	38.3	Very low	163 Å²	163	115.6 Å²	115.6	64%	0.639	60%	0.597	S	S	*	*	H	α-helix	trans	-71.2	-33.1	171.3	-142.5	-98.1	0	0	0	112.4	R16 A22 A23 Q24	R16-Y20 WeakPolarHBondContact O-CB 3.48Å; R16-Y20 PolarHBondContact O-N 2.97Å; R16-Y20 VanDerWaalsContact O-N 3.14Å; Y20-A22 VanDerWaalsContact C-N 3.34Å; Y20-A23 PolarHBondContact O-N 2.9Å; Y20-Q24 PolarHBondContact O-N 2.76Å; Y20-Q24 VanDerWaalsContact O-N 3.12Å
21	S	35	Very low	37.6	Very low	60 Å²	60	114 Å²	114	42%	0.42	61%	0.606	S	S	.	*	H	α-helix	trans	-78.9	-11.3	174.8	64.9	0	0	0	0	114.2	L17 V18 N25	L17-S21 WeakPolarHBondContact O-CB 3.32Å; L17-S21 PolarHBondContact O-N 2.86Å; L17-S21 PolarHBondContact O-OG 3.11Å; V18-S21 PolarHBondContact O-OG 3.01Å; S21-N25 WeakPolarHBondContact O-CB 3.33Å; S21-N25 VanDerWaalsContact O-CG 3.31Å; S21-N25 PolarHBondContact O-ND2 2.75Å
22	A	35.8	Very low	36.6	Very low	65 Å²	65	114.2 Å²	114.2	54%	0.537	61%	0.613	S	S	.	*	H	α-helix	trans	-87.4	-30.8	169.7	0	0	0	0	0	112.5	E19 Y20	E19-A22 PolarHBondContact O-N 2.96Å; Y20-A22 VanDerWaalsContact C-N 3.34Å
23	A	40.5	Very low	36.2	Very low	62 Å²	62	113.8 Å²	113.8	51%	0.512	62%	0.616	S	S	.	*	H	α-helix	trans	-78.6	-38.9	177.7	0	0	0	0	0	112.7	E19 Y20 Y26 A27	E19-A23 PolarHBondContact O-N 3.3Å; Y20-A23 PolarHBondContact O-N 2.9Å; A23-Y26 PolarHBondContact O-N 3.43Å; A23-A27 PolarHBondContact O-N 3.04Å; A23-A27 VanDerWaalsContact O-N 3.11Å
24	Q	38.6	Very low	35.5	Very low	106 Å²	106	118.3 Å²	118.3	50%	0.495	64%	0.635	S	S	.	*	H	α-helix	trans	-71	-27	173.7	-95	179.1	-29.7	0	0	113.5	Y20 Y26 N28	Y20-Q24 PolarHBondContact O-N 2.76Å; Y20-Q24 VanDerWaalsContact O-N 3.12Å; Q24-Y26 VanDerWaalsContact C-N 3.32Å; Q24-N28 VanDerWaalsContact O-CB 3.29Å; Q24-N28 WeakPolarHBondContact O-CB 3.27Å; Q24-N28 PolarHBondContact O-N 3Å
25	N	35.1	Very low	35.4	Very low	94 Å²	94	117.6 Å²	117.6	50%	0.503	63%	0.628	S	S	.	*	H	α-helix	trans	-77.9	-15.3	175.5	-80.2	-37.3	0	0	0	113.9	S21	S21-N25 WeakPolarHBondContact O-CB 3.33Å; S21-N25 VanDerWaalsContact O-CG 3.31Å; S21-N25 PolarHBondContact O-ND2 2.75Å
26	Y	36.9	Very low	35.2	Very low	159 Å²	159	120 Å²	120	62%	0.624	64%	0.636	S	S	*	*	H	α-helix	trans	-93.4	-27.1	171.4	-154.7	-95.6	0	0	0	112.2	A23 Q24	A23-Y26 PolarHBondContact O-N 3.43Å; Q24-Y26 VanDerWaalsContact C-N 3.32Å
27	A	38.1	Very low	35.3	Very low	81 Å²	81	114.2 Å²	114.2	67%	0.669	62%	0.619	S	S	*	*	H	α-helix	trans	-83.4	-27.8	174	0	0	0	0	0	113.5	A23	A23-A27 PolarHBondContact O-N 3.04Å; A23-A27 VanDerWaalsContact O-N 3.11Å
28	N	30.5	Very low	35.5	Very low	110 Å²	110	112.2 Å²	112.2	59%	0.588	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	62.4	175.2	-70.7	-27.3	0	0	0	111.6	Q24 K30	Q24-N28 VanDerWaalsContact O-CB 3.29Å; Q24-N28 WeakPolarHBondContact O-CB 3.27Å; Q24-N28 PolarHBondContact O-N 3Å; N28-K30 WeakPolarHBondContact O-CB 3.27Å; N28-K30 PolarHBondContact O-N 2.86Å
29	G	29.6	Very low	35.9	Very low	80 Å²	80	117.7 Å²	117.7	83%	0.825	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	39.4	33.7	152.6	0	0	0	0	0	119.6
30	K	27.7	Very low	37.2	Very low	161 Å²	161	112.2 Å²	112.2	70%	0.7	61%	0.612	S	S	*	*			trans	-134.2	48.1	-176.3	-76.1	-171.7	177.9	179.6	0	111.7	N28 N32	N28-K30 WeakPolarHBondContact O-CB 3.27Å; N28-K30 PolarHBondContact O-N 2.86Å; K30-N32 PolarHBondContact O-N 3.27Å
31	G	30.9	Very low	39.4	Very low	71 Å²	71	105.8 Å²	105.8	73%	0.732	59%	0.591	S	S	*	*			trans	-80.1	101.1	148	0	0	0	0	0	107.7	L33	G31-L33 PolarHBondContact O-N 3.3Å
32	N	26.9	Very low	42.2	Very low	141 Å²	141	105.1 Å²	105.1	75%	0.754	58%	0.581	S	S	*	*	S	Bend	trans	-55.7	84.5	172.9	-94.8	-29.6	0	0	0	111.3	K30	K30-N32 PolarHBondContact O-N 3.27Å
33	L	33.9	Very low	44.9	Very low	120 Å²	120	102.4 Å²	102.4	63%	0.628	56%	0.558	S	S	*	*			trans	-125.7	67.4	138.3	-134.8	94.8	0	0	0	105.3	G31 R35	G31-L33 PolarHBondContact O-N 3.3Å; L33-R35 HydrophobicContact CD2-CG 3.89Å; L33-R35 VanDerWaalsContact CD2-NE 3.32Å; L33-R35 HydrophobicContact CG-CG 4.29Å; L33-R35 PolarHBondContact O-N 3.19Å
34	E	30.2	Very low	47.5	Very low	171 Å²	171	102.5 Å²	102.5	80%	0.799	55%	0.552	S	S	*	*			trans	-62	66.8	154	-79.7	-167.7	160.8	0	0	108.4	K36	E34-K36 PolarHBondContact O-N 2.76Å
35	R	38.3	Very low	50.1	Low	139 Å²	139	97.8 Å²	97.8	53%	0.525	53%	0.53	S	S	.	.			trans	-69.1	92.8	145.7	-74.3	-176.3	-171.6	-171.7	3.2	103	L33 I37	L33-R35 HydrophobicContact CD2-CG 3.89Å; L33-R35 VanDerWaalsContact CD2-NE 3.32Å; L33-R35 HydrophobicContact CG-CG 4.29Å; L33-R35 PolarHBondContact O-N 3.19Å; R35-I37 VanDerWaalsContact C-N 3.32Å; R35-I37 WeakPolarHBondContact O-CG1 3.3Å; R35-I37 PolarHBondContact O-N 3.05Å
36	K	36.1	Very low	52.4	Low	190 Å²	190	94.9 Å²	94.9	83%	0.826	52%	0.522	S	S	*	.			trans	-29.8	100.7	167.5	-82.1	-176.7	174.7	179.2	0	107.4	E34 P38	E34-K36 PolarHBondContact O-N 2.76Å; K36-P38 WeakPolarHBondContact O-CD 3.47Å; K36-P38 VanDerWaalsContact O-N 3.1Å
37	I	43.8	Very low	54.6	Low	65 Å²	65	96.1 Å²	96.1	33%	0.333	53%	0.534	S	S	.	.			trans	-69.3	112.7	178.2	-66	179.8	0	0	0	102.2	R35 K39 K69	R35-I37 VanDerWaalsContact C-N 3.32Å; R35-I37 WeakPolarHBondContact O-CG1 3.3Å; R35-I37 PolarHBondContact O-N 3.05Å; I37-K39 PolarHBondContact O-N 3.09Å; I37-K39 VanDerWaalsContact O-N 3.11Å; I37-K69 HydrophobicContact CG2-CD 3.74Å; I37-K69 HydrophobicContact CG2-CG 4.45Å
38	P	42.9	Very low	56.4	Low	70 Å²	70	99 Å²	99	46%	0.455	53%	0.531	S	S	.	.			trans	-57.5	126.7	-179	-19.8	31.8	0	0	0	107.2	K36 G40 K69	K36-P38 WeakPolarHBondContact O-CD 3.47Å; K36-P38 VanDerWaalsContact O-N 3.1Å; P38-G40 PolarHBondContact O-N 2.83Å; P38-K69 PolarHBondContact O-NZ 2.72Å
39	K	47.1	Very low	59	Low	213 Å²	213	94 Å²	94	93%	0.926	50%	0.504	S	S	*	.	S	Bend	trans	-57.9	137.1	172.5	-74.9	-173.5	173.8	-174.7	0	108.4	I37	I37-K39 PolarHBondContact O-N 3.09Å; I37-K39 VanDerWaalsContact O-N 3.11Å
40	G	66.1	Low	62	Low	35 Å²	35	93.2 Å²	93.2	36%	0.361	48%	0.476	S	S	.	.	S	Bend	trans	117.4	155.1	178.6	0	0	0	0	0	115.6	P38 E42 K69	P38-G40 PolarHBondContact O-N 2.83Å; G40-E42 PolarHBondContact O-N 3.06Å; G40-K69 PolarHBondContact O-NZ 3.46Å
41	S	84	Confident	65.3	Low	29 Å²	29	85.6 Å²	85.6	20%	0.203	44%	0.443	C	S	.	.	S	Bend	trans	-60	-18	176	24.1	0	0	0	0	114.7	L55 E60	S41-L55 WeakPolarHBondContact CB-O 3.42Å; S41-L55 WeakPolarHBondContact O-CB 3.33Å; S41-L55 WeakPolarHBondContact O-CG 3.44Å; S41-L55 PolarHBondContact O-N 2.59Å; S41-E60 WeakPolarHBondContact CA-OE1 3.23Å; S41-E60 WeakPolarHBondContact CB-OE1 3.35Å; S41-E60 PolarHBondContact N-OE1 2.96Å; S41-E60 PolarHBondContact OG-OE1 3.07Å
42	E	93	Very high	68.4	Low	46 Å²	46	85 Å²	85	22%	0.215	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.1	-173.3	-70.2	-174.2	-165.9	0	0	113.3	G40 R52 V53 V54 K132 Y133	G40-E42 PolarHBondContact O-N 3.06Å; E42-R52 IonicContact OE2-NH1 3.45Å; E42-V53 VanDerWaalsContact CA-O 3.29Å; E42-V53 WeakPolarHBondContact CA-O 3.23Å; E42-V54 HydrophobicContact CG-CB 4.26Å; E42-V54 HydrophobicContact CG-CG1 4.02Å; E42-V54 HydrophobicContact CG-CG2 4.07Å; E42-K132 WeakPolarHBondContact OE1-CE 3.48Å; E42-K132 IonicContact OE1-NZ 3.37Å; E42-K132 PolarHBondContact OE1-NZ 2.86Å; E42-K132 IonicContact OE2-NZ 3.54Å; E42-K132 PolarHBondContact OE2-NZ 2.72Å; E42-Y133 PolarHBondContact OE2-OH 2.79Å
43	F	93.9	Very high	71.7	Confident	8 Å²	8	78.2 Å²	78.2	4%	0.035	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	163	177	54.9	-84.3	0	0	0	111	V45 R52 V53 L55 K69 V72 K73	F43-V45 HydrophobicContact CD2-CG2 3.72Å; F43-V45 HydrophobicContact CE2-CG2 3.73Å; F43-R52 WeakPolarHBondContact O-CD 3.18Å; F43-V53 HydrophobicContact CD1-CB 4.31Å; F43-V53 HydrophobicContact CD2-CB 4.09Å; F43-V53 HydrophobicContact CD2-CG2 4.11Å; F43-V53 HydrophobicContact CE1-CB 3.95Å; F43-V53 HydrophobicContact CE1-CG1 3.87Å; F43-V53 HydrophobicContact CE2-CB 3.71Å; F43-V53 HydrophobicContact CE2-CG1 4.15Å; F43-V53 HydrophobicContact CE2-CG2 3.58Å; F43-V53 HydrophobicContact CG-CB 4.39Å; F43-V53 HydrophobicContact CZ-CB 3.64Å; F43-V53 HydrophobicContact CZ-CG1 3.59Å; F43-V53 HydrophobicContact CZ-CG2 3.93Å; F43-V53 PolarHBondContact N-O 3.49Å; F43-V53 VanDerWaalsContact N-O 3.15Å; F43-V53 PolarHBondContact O-N 3.46Å; F43-L55 HydrophobicContact CE1-CD1 3.83Å; F43-L55 HydrophobicContact CE1-CG 4.02Å; F43-K69 HydrophobicContact CD1-CD 4.35Å; F43-K69 VanDerWaalsContact CD1-CE 3.48Å; F43-K69 HydrophobicContact CD1-CG 4.37Å; F43-K69 HydrophobicContact CE1-CD 4.09Å; F43-K69 HydrophobicContact CE1-CG 3.75Å; F43-K69 HydrophobicContact CZ-CG 3.98Å; F43-V72 HydrophobicContact CZ-CG1 4.11Å; F43-K73 HydrophobicContact CD2-CD 4.43Å; F43-K73 HydrophobicContact CD2-CG 3.96Å; F43-K73 HydrophobicContact CE2-CD 4.28Å; F43-K73 HydrophobicContact CE2-CG 3.45Å; F43-K73 VanDerWaalsContact CE2-CG 3.45Å; F43-K73 HydrophobicContact CZ-CG 4.14Å
44	T	94.1	Very high	74.7	Confident	63 Å²	63	72.7 Å²	72.7	39%	0.387	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.6	175.1	-54.5	0	0	0	0	110	R50 V51 R52	T44-R50 HydrophobicContact CG2-CB 4.18Å; T44-V51 CarbonylContact C-O 3.58Å; T44-V51 VanDerWaalsContact CA-O 3.28Å; T44-V51 WeakPolarHBondContact CA-O 3.42Å; T44-R52 VanDerWaalsContact OG1-CZ 3.28Å; T44-R52 PolarHBondContact OG1-NE 3.08Å; T44-R52 PolarHBondContact OG1-NH2 2.83Å; T44-R52 VanDerWaalsContact OG1-NH2 3.08Å
45	V	93.2	Very high	77.7	Confident	8 Å²	8	64.8 Å²	64.8	5%	0.048	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.5	176.1	-173.7	0	0	0	0	109.1	F43 V51 V53 K73 L76 R77	F43-V45 HydrophobicContact CD2-CG2 3.72Å; F43-V45 HydrophobicContact CE2-CG2 3.73Å; V45-V51 PolarHBondContact N-O 2.93Å; V45-V51 PolarHBondContact O-N 2.87Å; V45-V53 HydrophobicContact CG2-CG2 4.46Å; V45-K73 HydrophobicContact CG2-CG 4.12Å; V45-L76 HydrophobicContact CB-CB 3.96Å; V45-L76 HydrophobicContact CB-CD1 4.27Å; V45-L76 HydrophobicContact CG1-CB 3.69Å; V45-L76 HydrophobicContact CG2-CB 4.22Å; V45-L76 HydrophobicContact CG2-CD1 3.99Å; V45-R77 HydrophobicContact CG1-CG 3.86Å
46	G	83.7	Confident	80.2	Confident	32 Å²	32	58.8 Å²	58.8	33%	0.33	30%	0.296	S	S	.	.			trans	92.8	154.3	178.7	0	0	0	0	0	113.5	F49	G46-F49 WeakPolarHBondContact CA-O 3.49Å
47	E	82.1	Confident	82.6	Confident	186 Å²	186	57.6 Å²	57.6	87%	0.869	29%	0.291	S	S	*	.	S	Bend	trans	-103.6	-51.2	-179.6	-68.2	176	-175.1	0	0	111.2	R50	E47-R50 WeakPolarHBondContact O-CG 3.33Å
48	K	76.8	Confident	84.3	Confident	141 Å²	141	58.1 Å²	58.1	61%	0.613	30%	0.295	S	S	*	.	S	Bend	trans	-86.4	-55.9	177.3	-65.5	-174.3	-179	-178.5	0	111.7	Q84 H88	K48-Q84 HydrophobicContact CB-CG 4.3Å; K48-H88 PolarHBondContact O-CE1 2.61Å
49	F	85	Confident	86.4	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.026	27%	0.274	C	S	.	.	S	Bend	trans	-92.6	103.5	169.4	-178.4	-154.9	0	0	0	109.2	G46 V51 T80 I83 P85 D157 F158 F222	G46-F49 WeakPolarHBondContact CA-O 3.49Å; F49-V51 HydrophobicContact CD1-CG2 4.41Å; F49-V51 HydrophobicContact CD2-CG2 4.35Å; F49-V51 HydrophobicContact CE1-CG2 4.06Å; F49-V51 HydrophobicContact CE2-CG2 4.01Å; F49-V51 HydrophobicContact CZ-CG2 3.83Å; F49-T80 HydrophobicContact CB-CG2 4.37Å; F49-T80 HydrophobicContact CD1-CG2 3.97Å; F49-T80 HydrophobicContact CG-CG2 4.29Å; F49-T80 WeakPolarHBondContact O-CB 3.13Å; F49-T80 WeakPolarHBondContact O-CG2 3.48Å; F49-I83 HydrophobicContact CD1-CG1 4.02Å; F49-I83 HydrophobicContact CE1-CD1 4.05Å; F49-I83 HydrophobicContact CE1-CG1 4.04Å; F49-P85 HydrophobicContact CD2-CG 3.92Å; F49-P85 HydrophobicContact CE2-CG 4.48Å; F49-D157 HydrophobicContact CD2-CB 3.67Å; F49-D157 HydrophobicContact CE2-CB 3.83Å; F49-F158 HydrophobicContact CE2-CB 3.84Å; F49-F158 HydrophobicContact CZ-CB 4.03Å; F49-F222 HydrophobicContact CE1-CE1 4.04Å; F49-F222 HydrophobicContact CE1-CE2 4.34Å; F49-F222 AromaticContact CE1-CZ 3.95Å; F49-F222 HydrophobicContact CE1-CZ 3.95Å; F49-F222 HydrophobicContact CZ-CD1 4.23Å; F49-F222 AromaticContact CZ-CE1 3.81Å; F49-F222 HydrophobicContact CZ-CE1 3.81Å; F49-F222 HydrophobicContact CZ-CZ 4.17Å
50	R	93.5	Very high	88	Confident	63 Å²	63	47.9 Å²	47.9	24%	0.238	24%	0.244	C	C	.	.			trans	-99.7	110.3	-170.8	-59.7	158.9	-61.7	174.8	6.5	110	T44 E47 N155 D157 F158	T44-R50 HydrophobicContact CG2-CB 4.18Å; E47-R50 WeakPolarHBondContact O-CG 3.33Å; R50-N155 VanDerWaalsContact CD-O 3.25Å; R50-N155 WeakPolarHBondContact CD-O 3.1Å; R50-N155 VanDerWaalsContact CZ-C 3.45Å; R50-N155 PolarHBondContact NE-O 3.4Å; R50-N155 VanDerWaalsContact NE-O 3.16Å; R50-N155 PolarHBondContact NH1-O 2.69Å; R50-D157 WeakPolarHBondContact CB-OD2 3.41Å; R50-D157 IonicContact CZ-OD1 3.65Å; R50-D157 IonicContact CZ-OD2 2.72Å; R50-D157 PolarHBondContact N-OD2 3.07Å; R50-D157 IonicContact NE-OD1 3.11Å; R50-D157 IonicContact NE-OD2 2.61Å; R50-D157 PolarHBondContact NE-OD2 2.89Å; R50-D157 IonicContact NH2-OD1 3.46Å; R50-D157 PolarHBondContact NH2-OD1 2.99Å; R50-D157 IonicContact NH2-OD2 3.84Å; R50-D157 PolarHBondContact NH2-OD2 2.86Å; R50-D157 PolarHBondContact O-N 2.98Å; R50-F158 PolarHBondContact O-N 2.85Å
51	V	95.1	Very high	88.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.3	179.6	-177	0	0	0	0	109.5	T44 V45 F49 V53 L76 T80 F158 L160	T44-V51 CarbonylContact C-O 3.58Å; T44-V51 VanDerWaalsContact CA-O 3.28Å; T44-V51 WeakPolarHBondContact CA-O 3.42Å; V45-V51 PolarHBondContact N-O 2.93Å; V45-V51 PolarHBondContact O-N 2.87Å; F49-V51 HydrophobicContact CD1-CG2 4.41Å; F49-V51 HydrophobicContact CD2-CG2 4.35Å; F49-V51 HydrophobicContact CE1-CG2 4.06Å; F49-V51 HydrophobicContact CE2-CG2 4.01Å; F49-V51 HydrophobicContact CZ-CG2 3.83Å; V51-V53 HydrophobicContact CG1-CG2 4.5Å; V51-L76 HydrophobicContact CB-CD2 4.07Å; V51-L76 HydrophobicContact CG1-CD1 4.25Å; V51-L76 HydrophobicContact CG1-CD2 3.77Å; V51-L76 HydrophobicContact CG2-CD2 4.13Å; V51-T80 HydrophobicContact CG2-CG2 3.72Å; V51-F158 CarbonylContact C-O 3.59Å; V51-F158 WeakPolarHBondContact CA-O 3.47Å; V51-F158 HydrophobicContact CG1-CB 4.42Å; V51-F158 HydrophobicContact CG1-CD1 4.03Å; V51-F158 HydrophobicContact CG2-CB 4.21Å; V51-L160 HydrophobicContact CG1-CB 4.02Å
52	R	96.5	Very high	88.5	Confident	58 Å²	58	54 Å²	54	22%	0.219	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	119.3	170.4	172.3	59.3	59.6	139.9	0.1	108.7	E42 F43 T44 V54 Y133 I156 F158 V159 L160	E42-R52 IonicContact OE2-NH1 3.45Å; F43-R52 WeakPolarHBondContact O-CD 3.18Å; T44-R52 VanDerWaalsContact OG1-CZ 3.28Å; T44-R52 PolarHBondContact OG1-NE 3.08Å; T44-R52 PolarHBondContact OG1-NH2 2.83Å; T44-R52 VanDerWaalsContact OG1-NH2 3.08Å; R52-V54 HydrophobicContact CG-CG2 4.35Å; R52-Y133 HydrophobicContact CG-CE1 4.45Å; R52-Y133 WeakPolarHBondContact CG-OH 3.19Å; R52-I156 HydrophobicContact CB-CD1 3.72Å; R52-I156 HydrophobicContact CB-CG1 4.09Å; R52-I156 HydrophobicContact CB-CG2 3.65Å; R52-I156 HydrophobicContact CG-CD1 4.08Å; R52-F158 PolarHBondContact N-O 3.03Å; R52-V159 HydrophobicContact CB-CG2 4.44Å; R52-V159 HydrophobicContact CG-CG1 4.41Å; R52-V159 CarbonylContact O-C 3.56Å; R52-V159 WeakPolarHBondContact O-CA 3.36Å; R52-L160 PolarHBondContact O-N 3.12Å
53	V	96.8	Very high	88.1	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	137.6	174	-173.1	0	0	0	0	109.3	E42 F43 V45 V51 L55 V72 L76 L160 V162	E42-V53 VanDerWaalsContact CA-O 3.29Å; E42-V53 WeakPolarHBondContact CA-O 3.23Å; F43-V53 HydrophobicContact CD1-CB 4.31Å; F43-V53 HydrophobicContact CD2-CB 4.09Å; F43-V53 HydrophobicContact CD2-CG2 4.11Å; F43-V53 HydrophobicContact CE1-CB 3.95Å; F43-V53 HydrophobicContact CE1-CG1 3.87Å; F43-V53 HydrophobicContact CE2-CB 3.71Å; F43-V53 HydrophobicContact CE2-CG1 4.15Å; F43-V53 HydrophobicContact CE2-CG2 3.58Å; F43-V53 HydrophobicContact CG-CB 4.39Å; F43-V53 HydrophobicContact CZ-CB 3.64Å; F43-V53 HydrophobicContact CZ-CG1 3.59Å; F43-V53 HydrophobicContact CZ-CG2 3.93Å; F43-V53 PolarHBondContact N-O 3.49Å; F43-V53 VanDerWaalsContact N-O 3.15Å; F43-V53 PolarHBondContact O-N 3.46Å; V45-V53 HydrophobicContact CG2-CG2 4.46Å; V51-V53 HydrophobicContact CG1-CG2 4.5Å; V53-L55 HydrophobicContact CG1-CD2 3.61Å; V53-L55 HydrophobicContact CG1-CG 4.17Å; V53-V72 HydrophobicContact CG1-CG1 4.15Å; V53-V72 HydrophobicContact CG2-CG1 4.45Å; V53-L76 HydrophobicContact CG2-CD1 3.18Å; V53-L160 CarbonylContact C-O 3.52Å; V53-L160 WeakPolarHBondContact CA-O 3.01Å; V53-L160 HydrophobicContact CG2-CD2 4.42Å; V53-V162 HydrophobicContact CG1-CG2 4.2Å
54	V	95.8	Very high	87.6	Confident	4 Å²	4	59 Å²	59	2%	0.024	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	106.8	173.3	-174.1	0	0	0	0	107.5	E42 R52 F127 P130 Y133 V159 L160 F161 V162	E42-V54 HydrophobicContact CG-CB 4.26Å; E42-V54 HydrophobicContact CG-CG1 4.02Å; E42-V54 HydrophobicContact CG-CG2 4.07Å; R52-V54 HydrophobicContact CG-CG2 4.35Å; V54-F127 HydrophobicContact CG1-CZ 4.19Å; V54-P130 HydrophobicContact CG1-CG 4.23Å; V54-Y133 HydrophobicContact CG2-CD2 4.46Å; V54-Y133 HydrophobicContact CG2-CE2 3.55Å; V54-V159 HydrophobicContact CG2-CG1 4.13Å; V54-L160 PolarHBondContact N-O 2.97Å; V54-F161 HydrophobicContact CB-CD1 3.74Å; V54-F161 HydrophobicContact CB-CE1 4.05Å; V54-F161 HydrophobicContact CG1-CD1 4.1Å; V54-F161 HydrophobicContact CG1-CE1 4.34Å; V54-F161 HydrophobicContact CG2-CD1 4.11Å; V54-F161 HydrophobicContact CG2-CE1 3.93Å; V54-F161 WeakPolarHBondContact O-CA 3.38Å; V54-V162 PolarHBondContact O-N 2.93Å
55	L	94.5	Very high	87.3	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	139.8	175.4	-55.9	-175.1	0	0	0	109.7	S41 F43 V53 L59 F65 F68 K69 V162	S41-L55 WeakPolarHBondContact CB-O 3.42Å; S41-L55 WeakPolarHBondContact O-CB 3.33Å; S41-L55 WeakPolarHBondContact O-CG 3.44Å; S41-L55 PolarHBondContact O-N 2.59Å; F43-L55 HydrophobicContact CE1-CD1 3.83Å; F43-L55 HydrophobicContact CE1-CG 4.02Å; V53-L55 HydrophobicContact CG1-CD2 3.61Å; V53-L55 HydrophobicContact CG1-CG 4.17Å; L55-L59 HydrophobicContact CB-CD1 4.3Å; L55-L59 HydrophobicContact CD2-CD1 4.28Å; L55-F65 HydrophobicContact CB-CE2 4.22Å; L55-F65 HydrophobicContact CD1-CD2 4.39Å; L55-F65 HydrophobicContact CD1-CE2 3.36Å; L55-F65 HydrophobicContact CD1-CZ 3.64Å; L55-F65 HydrophobicContact CG-CE2 4.42Å; L55-F68 HydrophobicContact CD1-CD1 4.36Å; L55-F68 HydrophobicContact CD1-CE1 4.34Å; L55-F68 HydrophobicContact CD2-CE1 4.03Å; L55-K69 HydrophobicContact CD1-CB 4.47Å; L55-K69 HydrophobicContact CD1-CG 4.44Å; L55-V162 WeakPolarHBondContact CA-O 3.35Å; L55-V162 HydrophobicContact CD2-CB 3.64Å; L55-V162 HydrophobicContact CD2-CG1 4.32Å; L55-V162 HydrophobicContact CD2-CG2 4.1Å
56	S	90.9	Very high	87	Confident	13 Å²	13	61.6 Å²	61.6	9%	0.091	32%	0.319	C	S	.	.			trans	-69.5	160.5	174.2	63.1	0	0	0	0	111.9	D58 L59 E60 V162 R163	S56-D58 VanDerWaalsContact C-N 3.31Å; S56-D58 WeakPolarHBondContact CB-OD1 3.22Å; S56-D58 PolarHBondContact O-N 2.79Å; S56-D58 PolarHBondContact OG-OD1 2.78Å; S56-D58 PolarHBondContact OG-OD2 3.15Å; S56-L59 WeakPolarHBondContact O-CB 3.29Å; S56-L59 PolarHBondContact O-N 3.22Å; S56-E60 PolarHBondContact O-N 3.04Å; S56-V162 PolarHBondContact N-O 2.64Å; S56-R163 VanDerWaalsContact OG-CA 3.23Å; S56-R163 WeakPolarHBondContact OG-CA 2.96Å; S56-R163 VanDerWaalsContact OG-CB 3.3Å; S56-R163 WeakPolarHBondContact OG-CB 2.96Å
57	K	85.1	Confident	87.1	Confident	165 Å²	165	62.8 Å²	62.8	72%	0.717	32%	0.318	S	S	*	.	H	α-helix	trans	-64.6	-32.9	-179.3	-69.6	-177.3	179.2	176.5	0	113.1	L59 E60 N61	K57-L59 PolarHBondContact O-N 3.39Å; K57-E60 WeakPolarHBondContact O-CB 3.47Å; K57-E60 PolarHBondContact O-N 3.48Å; K57-E60 VanDerWaalsContact O-N 3.13Å; K57-N61 PolarHBondContact O-N 3.39Å; K57-N61 PolarHBondContact O-ND2 2.81Å
58	D	80.6	Confident	87.5	Confident	76 Å²	76	54 Å²	54	41%	0.406	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-34.5	176	50.4	-72.4	0	0	0	112.3	S56 S164	S56-D58 VanDerWaalsContact C-N 3.31Å; S56-D58 WeakPolarHBondContact CB-OD1 3.22Å; S56-D58 PolarHBondContact O-N 2.79Å; S56-D58 PolarHBondContact OG-OD1 2.78Å; S56-D58 PolarHBondContact OG-OD2 3.15Å; D58-S164 WeakPolarHBondContact OD2-CB 3.45Å; D58-S164 PolarHBondContact OD2-N 2.82Å; D58-S164 VanDerWaalsContact OD2-O 3.13Å
59	L	85.9	Confident	88.1	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-70.3	-41.3	172.8	-76.1	167.3	0	0	0	112	L55 S56 K57 N61 N62 F65 F68 V162 M200	L55-L59 HydrophobicContact CB-CD1 4.3Å; L55-L59 HydrophobicContact CD2-CD1 4.28Å; S56-L59 WeakPolarHBondContact O-CB 3.29Å; S56-L59 PolarHBondContact O-N 3.22Å; K57-L59 PolarHBondContact O-N 3.39Å; L59-N61 PolarHBondContact O-N 3.23Å; L59-N62 WeakPolarHBondContact O-CB 3.2Å; L59-N62 PolarHBondContact O-N 2.97Å; L59-F65 VanDerWaalsContact C-CD2 3.45Å; L59-F65 HydrophobicContact CB-CD2 4.24Å; L59-F65 HydrophobicContact CB-CE2 4.19Å; L59-F65 WeakPolarHBondContact O-CD2 3.47Å; L59-F68 HydrophobicContact CD1-CD1 4.48Å; L59-F68 HydrophobicContact CD1-CE1 3.7Å; L59-F68 HydrophobicContact CD1-CZ 4.04Å; L59-F68 HydrophobicContact CD2-CD1 4.06Å; L59-F68 HydrophobicContact CD2-CD2 4.4Å; L59-F68 HydrophobicContact CD2-CE1 3.84Å; L59-F68 HydrophobicContact CD2-CE2 4.22Å; L59-F68 HydrophobicContact CD2-CG 4.35Å; L59-F68 HydrophobicContact CD2-CZ 3.93Å; L59-F68 HydrophobicContact CG-CE1 4.36Å; L59-V162 HydrophobicContact CD1-CG1 4.23Å; L59-V162 WeakPolarHBondContact CD1-O 2.89Å; L59-M200 HydrophobicContact CD2-CE 3.32Å
60	E	81.4	Confident	88.3	Confident	65 Å²	65	50.2 Å²	50.2	30%	0.304	26%	0.263	S	S	.	.	H	α-helix	trans	-58.9	-32.1	-179.8	-66	-172.2	137	0	0	112.6	S41 S56 K57 N62 F65	S41-E60 WeakPolarHBondContact CA-OE1 3.23Å; S41-E60 WeakPolarHBondContact CB-OE1 3.35Å; S41-E60 PolarHBondContact N-OE1 2.96Å; S41-E60 PolarHBondContact OG-OE1 3.07Å; S56-E60 PolarHBondContact O-N 3.04Å; K57-E60 WeakPolarHBondContact O-CB 3.47Å; K57-E60 PolarHBondContact O-N 3.48Å; K57-E60 VanDerWaalsContact O-N 3.13Å; E60-N62 PolarHBondContact O-N 2.95Å; E60-F65 HydrophobicContact CB-CE2 4.34Å; E60-F65 HydrophobicContact CB-CZ 4.4Å; E60-F65 HydrophobicContact CG-CE1 4.4Å; E60-F65 HydrophobicContact CG-CE2 3.91Å; E60-F65 HydrophobicContact CG-CZ 3.75Å
61	N	79.7	Confident	88.1	Confident	139 Å²	139	47.9 Å²	47.9	74%	0.743	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-5.1	179.1	-64.9	-24.7	0	0	0	113.3	K57 L59	K57-N61 PolarHBondContact O-N 3.39Å; K57-N61 PolarHBondContact O-ND2 2.81Å; L59-N61 PolarHBondContact O-N 3.23Å
62	N	81.7	Confident	88	Confident	55 Å²	55	47.9 Å²	47.9	29%	0.294	26%	0.255	S	S	.	.	S	Bend	trans	-74.4	132.4	178.2	-169.4	-66.8	0	0	0	110.6	L59 E60 N64 F65	L59-N62 WeakPolarHBondContact O-CB 3.2Å; L59-N62 PolarHBondContact O-N 2.97Å; E60-N62 PolarHBondContact O-N 2.95Å; N62-N64 PolarHBondContact O-N 2.84Å; N62-N64 PolarHBondContact OD1-N 3.45Å; N62-F65 WeakPolarHBondContact O-CB 3.35Å; N62-F65 PolarHBondContact O-N 3.42Å
63	A	83.8	Confident	87.8	Confident	102 Å²	102	46 Å²	46	84%	0.843	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.3	179.5	0	0	0	0	0	113.6
64	N	84.5	Confident	87.3	Confident	57 Å²	57	48.5 Å²	48.5	31%	0.305	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	23	-179.5	-61.2	-46	0	0	0	112.6	N62 D66 L67 F68 L203 D204	N62-N64 PolarHBondContact O-N 2.84Å; N62-N64 PolarHBondContact OD1-N 3.45Å; N64-D66 VanDerWaalsContact C-N 3.28Å; N64-D66 PolarHBondContact O-N 3.48Å; N64-L67 HydrophobicContact CB-CB 4.5Å; N64-L67 WeakPolarHBondContact O-CB 3.4Å; N64-L67 PolarHBondContact O-N 2.68Å; N64-F68 PolarHBondContact O-N 3.48Å; N64-L203 HydrophobicContact CB-CD2 3.53Å; N64-L203 HydrophobicContact CB-CG 4.07Å; N64-D204 WeakPolarHBondContact CB-OD1 3.48Å; N64-D204 PolarHBondContact ND2-OD1 3.43Å; N64-D204 PolarHBondContact ND2-OD2 3.47Å
65	F	86.9	Confident	87	Confident	24 Å²	24	48.3 Å²	48.3	11%	0.105	26%	0.261	C	S	.	.	H	α-helix	trans	-52.1	-41.8	-179.3	176.7	-113.3	0	0	0	113.7	L55 L59 E60 N62 L67 F68 K69	L55-F65 HydrophobicContact CB-CE2 4.22Å; L55-F65 HydrophobicContact CD1-CD2 4.39Å; L55-F65 HydrophobicContact CD1-CE2 3.36Å; L55-F65 HydrophobicContact CD1-CZ 3.64Å; L55-F65 HydrophobicContact CG-CE2 4.42Å; L59-F65 VanDerWaalsContact C-CD2 3.45Å; L59-F65 HydrophobicContact CB-CD2 4.24Å; L59-F65 HydrophobicContact CB-CE2 4.19Å; L59-F65 WeakPolarHBondContact O-CD2 3.47Å; E60-F65 HydrophobicContact CB-CE2 4.34Å; E60-F65 HydrophobicContact CB-CZ 4.4Å; E60-F65 HydrophobicContact CG-CE1 4.4Å; E60-F65 HydrophobicContact CG-CE2 3.91Å; E60-F65 HydrophobicContact CG-CZ 3.75Å; N62-F65 WeakPolarHBondContact O-CB 3.35Å; N62-F65 PolarHBondContact O-N 3.42Å; F65-L67 VanDerWaalsContact C-N 3.34Å; F65-L67 PolarHBondContact O-N 3.45Å; F65-F68 WeakPolarHBondContact O-CB 3.24Å; F65-F68 PolarHBondContact O-N 3.09Å; F65-K69 HydrophobicContact CE1-CD 4.14Å; F65-K69 HydrophobicContact CZ-CD 4.31Å; F65-K69 VanDerWaalsContact O-CB 3.23Å; F65-K69 WeakPolarHBondContact O-CB 3.48Å; F65-K69 PolarHBondContact O-N 3.46Å
66	D	86.7	Confident	86.9	Confident	101 Å²	101	48.1 Å²	48.1	54%	0.54	26%	0.259	S	S	.	.	H	α-helix	trans	-65.7	-37.7	179.1	-79.1	-36.2	0	0	0	112.4	N64 L70	N64-D66 VanDerWaalsContact C-N 3.28Å; N64-D66 PolarHBondContact O-N 3.48Å; D66-L70 WeakPolarHBondContact O-CB 3.44Å; D66-L70 PolarHBondContact O-N 2.92Å
67	L	85.9	Confident	86.6	Confident	57 Å²	57	50 Å²	50	30%	0.298	26%	0.264	S	S	.	.	H	α-helix	trans	-67.2	-41	174.6	-176.8	60	0	0	0	110.9	N64 F65 L70 Q71 L203	N64-L67 HydrophobicContact CB-CB 4.5Å; N64-L67 WeakPolarHBondContact O-CB 3.4Å; N64-L67 PolarHBondContact O-N 2.68Å; F65-L67 VanDerWaalsContact C-N 3.34Å; F65-L67 PolarHBondContact O-N 3.45Å; L67-L70 WeakPolarHBondContact O-CB 3.13Å; L67-L70 PolarHBondContact O-N 3.17Å; L67-Q71 PolarHBondContact O-N 2.8Å; L67-Q71 VanDerWaalsContact O-N 3.13Å; L67-L203 HydrophobicContact CB-CD1 4.11Å; L67-L203 HydrophobicContact CD2-CD1 4.07Å; L67-L203 HydrophobicContact CD2-CG 4.23Å; L67-L203 VanDerWaalsContact CD2-O 3.29Å; L67-L203 WeakPolarHBondContact CD2-O 3.24Å; L67-L203 HydrophobicContact CG-CD1 3.75Å; L67-L203 HydrophobicContact CG-CG 4.39Å
68	F	90.2	Very high	86.3	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-49.6	176.6	175.2	-95.3	0	0	0	110.6	L55 L59 N64 F65 L70 Q71 V72 V162 I196 M200 L203 L210	L55-F68 HydrophobicContact CD1-CD1 4.36Å; L55-F68 HydrophobicContact CD1-CE1 4.34Å; L55-F68 HydrophobicContact CD2-CE1 4.03Å; L59-F68 HydrophobicContact CD1-CD1 4.48Å; L59-F68 HydrophobicContact CD1-CE1 3.7Å; L59-F68 HydrophobicContact CD1-CZ 4.04Å; L59-F68 HydrophobicContact CD2-CD1 4.06Å; L59-F68 HydrophobicContact CD2-CD2 4.4Å; L59-F68 HydrophobicContact CD2-CE1 3.84Å; L59-F68 HydrophobicContact CD2-CE2 4.22Å; L59-F68 HydrophobicContact CD2-CG 4.35Å; L59-F68 HydrophobicContact CD2-CZ 3.93Å; L59-F68 HydrophobicContact CG-CE1 4.36Å; N64-F68 PolarHBondContact O-N 3.48Å; F65-F68 WeakPolarHBondContact O-CB 3.24Å; F65-F68 PolarHBondContact O-N 3.09Å; F68-L70 PolarHBondContact O-N 3.23Å; F68-Q71 PolarHBondContact O-N 3.32Å; F68-V72 HydrophobicContact CD1-CG2 4.09Å; F68-V72 HydrophobicContact CE1-CG2 3.52Å; F68-V72 HydrophobicContact CE2-CG2 4.29Å; F68-V72 HydrophobicContact CZ-CG2 3.63Å; F68-V72 PolarHBondContact O-N 2.77Å; F68-V162 HydrophobicContact CE1-CG1 4.29Å; F68-V162 HydrophobicContact CZ-CG1 3.85Å; F68-I196 HydrophobicContact CE2-CG1 3.9Å; F68-I196 HydrophobicContact CZ-CG1 3.91Å; F68-M200 HydrophobicContact CD2-CE 3.78Å; F68-M200 HydrophobicContact CD2-SD 3.97Å; F68-M200 HydrophobicContact CE2-CE 3.71Å; F68-M200 HydrophobicContact CE2-SD 4.4Å; F68-M200 HydrophobicContact CZ-CE 4.45Å; F68-L203 HydrophobicContact CB-CD1 3.92Å; F68-L203 HydrophobicContact CB-CD2 3.87Å; F68-L210 HydrophobicContact CD2-CD2 3.76Å; F68-L210 HydrophobicContact CE2-CD2 4.09Å
69	K	90.9	Very high	86.5	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.009	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-33.8	177.6	-175	169.8	178.5	175.6	0	112	I37 P38 G40 F43 L55 F65 K73	I37-K69 HydrophobicContact CG2-CD 3.74Å; I37-K69 HydrophobicContact CG2-CG 4.45Å; P38-K69 PolarHBondContact O-NZ 2.72Å; G40-K69 PolarHBondContact O-NZ 3.46Å; F43-K69 HydrophobicContact CD1-CD 4.35Å; F43-K69 VanDerWaalsContact CD1-CE 3.48Å; F43-K69 HydrophobicContact CD1-CG 4.37Å; F43-K69 HydrophobicContact CE1-CD 4.09Å; F43-K69 HydrophobicContact CE1-CG 3.75Å; F43-K69 HydrophobicContact CZ-CG 3.98Å; L55-K69 HydrophobicContact CD1-CB 4.47Å; L55-K69 HydrophobicContact CD1-CG 4.44Å; F65-K69 HydrophobicContact CE1-CD 4.14Å; F65-K69 HydrophobicContact CZ-CD 4.31Å; F65-K69 VanDerWaalsContact O-CB 3.23Å; F65-K69 WeakPolarHBondContact O-CB 3.48Å; F65-K69 PolarHBondContact O-N 3.46Å; K69-K73 WeakPolarHBondContact O-CB 3.47Å; K69-K73 VanDerWaalsContact O-CG 3.29Å; K69-K73 WeakPolarHBondContact O-CG 3.28Å; K69-K73 PolarHBondContact O-N 3.03Å
70	L	88.2	Confident	86.4	Confident	65 Å²	65	42.9 Å²	42.9	34%	0.34	23%	0.231	S	C	.	.	H	α-helix	trans	-65.2	-44.1	172.9	-174	65.8	0	0	0	111.8	D66 L67 F68 K73 D74	D66-L70 WeakPolarHBondContact O-CB 3.44Å; D66-L70 PolarHBondContact O-N 2.92Å; L67-L70 WeakPolarHBondContact O-CB 3.13Å; L67-L70 PolarHBondContact O-N 3.17Å; F68-L70 PolarHBondContact O-N 3.23Å; L70-K73 PolarHBondContact O-N 2.92Å; L70-D74 PolarHBondContact O-N 3.12Å
71	Q	89.4	Confident	86	Confident	13 Å²	13	48.4 Å²	48.4	6%	0.061	25%	0.254	C	S	.	.	H	α-helix	trans	-63.8	-44.1	177.8	-60	-39.9	-56.3	0	0	112.2	L67 F68 K73 D74 A75 P207 L210 K211 I214	L67-Q71 PolarHBondContact O-N 2.8Å; L67-Q71 VanDerWaalsContact O-N 3.13Å; F68-Q71 PolarHBondContact O-N 3.32Å; Q71-K73 VanDerWaalsContact C-N 3.34Å; Q71-K73 PolarHBondContact O-N 3.39Å; Q71-D74 PolarHBondContact O-N 2.97Å; Q71-A75 WeakPolarHBondContact O-CB 3.26Å; Q71-A75 PolarHBondContact O-N 3.06Å; Q71-P207 HydrophobicContact CG-CB 3.95Å; Q71-P207 PolarHBondContact OE1-O 2.78Å; Q71-L210 HydrophobicContact CG-CD2 4.44Å; Q71-K211 HydrophobicContact CB-CB 4.28Å; Q71-I214 HydrophobicContact CB-CD1 4.36Å
72	V	93.6	Very high	85.6	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-44.8	175.3	175.8	0	0	0	0	110.9	F43 V53 F68 D74 A75 L76 I214	F43-V72 HydrophobicContact CZ-CG1 4.11Å; V53-V72 HydrophobicContact CG1-CG1 4.15Å; V53-V72 HydrophobicContact CG2-CG1 4.45Å; F68-V72 HydrophobicContact CD1-CG2 4.09Å; F68-V72 HydrophobicContact CE1-CG2 3.52Å; F68-V72 HydrophobicContact CE2-CG2 4.29Å; F68-V72 HydrophobicContact CZ-CG2 3.63Å; F68-V72 PolarHBondContact O-N 2.77Å; V72-D74 VanDerWaalsContact C-N 3.34Å; V72-D74 PolarHBondContact O-N 3.21Å; V72-A75 PolarHBondContact O-N 2.86Å; V72-L76 HydrophobicContact CG1-CD1 3.99Å; V72-L76 WeakPolarHBondContact O-CB 3.49Å; V72-L76 PolarHBondContact O-N 3.25Å; V72-I214 HydrophobicContact CG2-CD1 3.87Å
73	K	92.2	Very high	85.2	Confident	17 Å²	17	42 Å²	42	7%	0.074	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-42.3	177	-80.3	177.4	176.3	-179.5	0	112.1	F43 V45 K69 L70 Q71 R77	F43-K73 HydrophobicContact CD2-CD 4.43Å; F43-K73 HydrophobicContact CD2-CG 3.96Å; F43-K73 HydrophobicContact CE2-CD 4.28Å; F43-K73 HydrophobicContact CE2-CG 3.45Å; F43-K73 VanDerWaalsContact CE2-CG 3.45Å; F43-K73 HydrophobicContact CZ-CG 4.14Å; V45-K73 HydrophobicContact CG2-CG 4.12Å; K69-K73 WeakPolarHBondContact O-CB 3.47Å; K69-K73 VanDerWaalsContact O-CG 3.29Å; K69-K73 WeakPolarHBondContact O-CG 3.28Å; K69-K73 PolarHBondContact O-N 3.03Å; L70-K73 PolarHBondContact O-N 2.92Å; Q71-K73 VanDerWaalsContact C-N 3.34Å; Q71-K73 PolarHBondContact O-N 3.39Å; K73-R77 WeakPolarHBondContact O-CB 3.32Å; K73-R77 WeakPolarHBondContact O-CD 3.42Å; K73-R77 WeakPolarHBondContact O-CG 3.27Å; K73-R77 PolarHBondContact O-N 3.35Å
74	D	85.5	Confident	84.7	Confident	54 Å²	54	42.1 Å²	42.1	29%	0.289	21%	0.208	S	C	.	.	H	α-helix	trans	-70.9	-39.3	-179	-80.1	-6.7	0	0	0	112.4	L70 Q71 V72 R77 F78 K211	L70-D74 PolarHBondContact O-N 3.12Å; Q71-D74 PolarHBondContact O-N 2.97Å; V72-D74 VanDerWaalsContact C-N 3.34Å; V72-D74 PolarHBondContact O-N 3.21Å; D74-R77 PolarHBondContact O-N 2.81Å; D74-R77 IonicContact OD1-CZ 2.79Å; D74-R77 IonicContact OD1-NH1 2.93Å; D74-R77 PolarHBondContact OD1-NH1 3.15Å; D74-F78 PolarHBondContact O-N 3.07Å; D74-F78 VanDerWaalsContact O-N 3.17Å; D74-K211 HydrophobicContact CB-CD 3.95Å
75	A	89.5	Confident	84.2	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.6	-46.8	171.8	0	0	0	0	0	111.8	Q71 V72 F78 W79 K211 I214 I215 L218	Q71-A75 WeakPolarHBondContact O-CB 3.26Å; Q71-A75 PolarHBondContact O-N 3.06Å; V72-A75 PolarHBondContact O-N 2.86Å; A75-F78 WeakPolarHBondContact O-CB 3.47Å; A75-F78 PolarHBondContact O-N 3.24Å; A75-W79 PolarHBondContact O-N 3.19Å; A75-K211 HydrophobicContact CB-CG 4.16Å; A75-I214 HydrophobicContact CB-CB 4.03Å; A75-I214 HydrophobicContact CB-CG2 3.57Å; A75-I215 HydrophobicContact CB-CD1 4.5Å; A75-I215 HydrophobicContact CB-CG1 3.61Å; A75-L218 HydrophobicContact CB-CD1 3.99Å
76	L	92.7	Very high	83.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68.4	-34.9	177.3	-79.1	167.7	0	0	0	113.4	V45 V51 V53 V72 F78 W79 T80 L160 L218 F222	V45-L76 HydrophobicContact CB-CB 3.96Å; V45-L76 HydrophobicContact CB-CD1 4.27Å; V45-L76 HydrophobicContact CG1-CB 3.69Å; V45-L76 HydrophobicContact CG2-CB 4.22Å; V45-L76 HydrophobicContact CG2-CD1 3.99Å; V51-L76 HydrophobicContact CB-CD2 4.07Å; V51-L76 HydrophobicContact CG1-CD1 4.25Å; V51-L76 HydrophobicContact CG1-CD2 3.77Å; V51-L76 HydrophobicContact CG2-CD2 4.13Å; V53-L76 HydrophobicContact CG2-CD1 3.18Å; V72-L76 HydrophobicContact CG1-CD1 3.99Å; V72-L76 WeakPolarHBondContact O-CB 3.49Å; V72-L76 PolarHBondContact O-N 3.25Å; L76-F78 PolarHBondContact O-N 3.05Å; L76-W79 PolarHBondContact O-N 3.12Å; L76-T80 WeakPolarHBondContact O-CB 3.4Å; L76-T80 VanDerWaalsContact O-CG2 3.26Å; L76-T80 WeakPolarHBondContact O-CG2 3.48Å; L76-T80 PolarHBondContact O-N 3.35Å; L76-T80 PolarHBondContact O-OG1 3.47Å; L76-L160 HydrophobicContact CD1-CD2 4.13Å; L76-L160 HydrophobicContact CD2-CD2 4.39Å; L76-L218 HydrophobicContact CD2-CD1 3.82Å; L76-L218 HydrophobicContact CD2-CD2 3.65Å; L76-L218 HydrophobicContact CD2-CG 4.42Å; L76-L218 HydrophobicContact CG-CD1 3.97Å; L76-L218 HydrophobicContact CG-CD2 4.38Å; L76-F222 HydrophobicContact CD2-CZ 4.19Å
77	R	84.2	Confident	83	Confident	52 Å²	52	47.5 Å²	47.5	20%	0.196	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-31.7	174	-79.4	166.9	-167.3	166.4	0.9	112.3	V45 K73 D74 T80 K81	V45-R77 HydrophobicContact CG1-CG 3.86Å; K73-R77 WeakPolarHBondContact O-CB 3.32Å; K73-R77 WeakPolarHBondContact O-CD 3.42Å; K73-R77 WeakPolarHBondContact O-CG 3.27Å; K73-R77 PolarHBondContact O-N 3.35Å; D74-R77 PolarHBondContact O-N 2.81Å; D74-R77 IonicContact OD1-CZ 2.79Å; D74-R77 IonicContact OD1-NH1 2.93Å; D74-R77 PolarHBondContact OD1-NH1 3.15Å; R77-T80 WeakPolarHBondContact CA-OG1 3.4Å; R77-K81 WeakPolarHBondContact O-CD 3.31Å; R77-K81 VanDerWaalsContact O-CG 3.26Å; R77-K81 WeakPolarHBondContact O-CG 3.36Å
78	F	79.9	Confident	82.9	Confident	78 Å²	78	48 Å²	48	34%	0.342	23%	0.226	S	C	.	.	H	α-helix	trans	-63.3	-58.7	172.3	176.1	-86.4	0	0	0	109.7	D74 A75 L76 T80 K81 A82 I215 V344	D74-F78 PolarHBondContact O-N 3.07Å; D74-F78 VanDerWaalsContact O-N 3.17Å; A75-F78 WeakPolarHBondContact O-CB 3.47Å; A75-F78 PolarHBondContact O-N 3.24Å; L76-F78 PolarHBondContact O-N 3.05Å; F78-T80 PolarHBondContact O-N 3.22Å; F78-K81 PolarHBondContact O-N 3.35Å; F78-A82 HydrophobicContact CE1-CB 4.06Å; F78-A82 HydrophobicContact CZ-CB 4.32Å; F78-A82 WeakPolarHBondContact O-CB 3.5Å; F78-A82 PolarHBondContact O-N 3.49Å; F78-I215 HydrophobicContact CD1-CG2 4.39Å; F78-V344 HydrophobicContact CD1-CG2 3.84Å; F78-V344 HydrophobicContact CE1-CB 3.43Å; F78-V344 VanDerWaalsContact CE1-CB 3.43Å; F78-V344 HydrophobicContact CE1-CG1 3.84Å; F78-V344 HydrophobicContact CE1-CG2 3.15Å; F78-V344 HydrophobicContact CE2-CG2 4.5Å; F78-V344 HydrophobicContact CZ-CB 3.46Å; F78-V344 VanDerWaalsContact CZ-CB 3.46Å; F78-V344 HydrophobicContact CZ-CG1 4.15Å; F78-V344 HydrophobicContact CZ-CG2 3.56Å
79	W	83.1	Confident	82.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-46	-176.2	-82	111.7	0	0	0	113.6	A75 L76 K81 A82 I83 I215 L218 F222 V344 T348 F352	A75-W79 PolarHBondContact O-N 3.19Å; L76-W79 PolarHBondContact O-N 3.12Å; W79-K81 PolarHBondContact O-N 3.16Å; W79-K81 VanDerWaalsContact O-N 3.07Å; W79-A82 PolarHBondContact O-N 3.38Å; W79-I83 HydrophobicContact CE3-CD1 3.68Å; W79-I83 HydrophobicContact CE3-CG1 3.99Å; W79-I83 HydrophobicContact CE3-CG2 4.09Å; W79-I83 HydrophobicContact CZ3-CD1 4.07Å; W79-I83 HydrophobicContact CZ3-CG2 4.08Å; W79-I83 WeakPolarHBondContact O-CG1 3.23Å; W79-I83 PolarHBondContact O-N 3.09Å; W79-I215 HydrophobicContact CZ2-CG2 4.49Å; W79-I215 PolarHBondContact NE1-O 2.78Å; W79-L218 HydrophobicContact CG-CB 4.49Å; W79-F222 HydrophobicContact CB-CE2 3.67Å; W79-F222 HydrophobicContact CB-CZ 4.44Å; W79-F222 HydrophobicContact CD2-CD2 4Å; W79-F222 AromaticContact CD2-CE2 3.91Å; W79-F222 HydrophobicContact CD2-CE2 3.91Å; W79-F222 HydrophobicContact CE3-CD2 4.11Å; W79-F222 HydrophobicContact CE3-CE2 4.34Å; W79-F222 HydrophobicContact CG-CD2 4.23Å; W79-F222 AromaticContact CG-CE2 3.63Å; W79-F222 HydrophobicContact CG-CE2 3.63Å; W79-V344 HydrophobicContact CH2-CG1 4.07Å; W79-V344 HydrophobicContact CZ2-CG1 4.37Å; W79-V344 HydrophobicContact CZ3-CG1 4.5Å; W79-T348 HydrophobicContact CH2-CG2 3.73Å; W79-F352 AromaticContact CH2-CD2 3.72Å; W79-F352 HydrophobicContact CH2-CD2 3.72Å; W79-F352 AromaticContact CH2-CE2 3.53Å; W79-F352 HydrophobicContact CH2-CE2 3.53Å; W79-F352 HydrophobicContact CH2-CZ 4.4Å; W79-F352 AromaticContact CZ3-CD2 3.6Å; W79-F352 HydrophobicContact CZ3-CD2 3.6Å; W79-F352 AromaticContact CZ3-CE2 3.79Å; W79-F352 HydrophobicContact CZ3-CE2 3.79Å; W79-F352 HydrophobicContact CZ3-CG 4.23Å
80	T	84.3	Confident	81.8	Confident	16 Å²	16	53.7 Å²	53.7	10%	0.098	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-13	-180	55.7	0	0	0	0	114.4	F49 V51 L76 R77 F78	F49-T80 HydrophobicContact CB-CG2 4.37Å; F49-T80 HydrophobicContact CD1-CG2 3.97Å; F49-T80 HydrophobicContact CG-CG2 4.29Å; F49-T80 WeakPolarHBondContact O-CB 3.13Å; F49-T80 WeakPolarHBondContact O-CG2 3.48Å; V51-T80 HydrophobicContact CG2-CG2 3.72Å; L76-T80 WeakPolarHBondContact O-CB 3.4Å; L76-T80 VanDerWaalsContact O-CG2 3.26Å; L76-T80 WeakPolarHBondContact O-CG2 3.48Å; L76-T80 PolarHBondContact O-N 3.35Å; L76-T80 PolarHBondContact O-OG1 3.47Å; R77-T80 WeakPolarHBondContact CA-OG1 3.4Å; F78-T80 PolarHBondContact O-N 3.22Å
81	K	74.3	Confident	81.6	Confident	181 Å²	181	53.9 Å²	53.9	79%	0.787	26%	0.261	S	S	*	.	H	α-helix	trans	-95.5	-32.3	169.2	-72.2	179.5	178	-173.5	0	113	R77 F78 W79	R77-K81 WeakPolarHBondContact O-CD 3.31Å; R77-K81 VanDerWaalsContact O-CG 3.26Å; R77-K81 WeakPolarHBondContact O-CG 3.36Å; F78-K81 PolarHBondContact O-N 3.35Å; W79-K81 PolarHBondContact O-N 3.16Å; W79-K81 VanDerWaalsContact O-N 3.07Å
82	A	70	Confident	81.6	Confident	37 Å²	37	57.6 Å²	57.6	31%	0.306	28%	0.277	S	S	.	.	H	α-helix	trans	-78.6	-35	-177	0	0	0	0	0	112.5	F78 W79 L349	F78-A82 HydrophobicContact CE1-CB 4.06Å; F78-A82 HydrophobicContact CZ-CB 4.32Å; F78-A82 WeakPolarHBondContact O-CB 3.5Å; F78-A82 PolarHBondContact O-N 3.49Å; W79-A82 PolarHBondContact O-N 3.38Å; A82-L349 HydrophobicContact CB-CD2 3.91Å
83	I	73.4	Confident	81.5	Confident	24 Å²	24	58.2 Å²	58.2	12%	0.123	28%	0.28	C	S	.	.			trans	-131	147.5	-176.1	69.1	171	0	0	0	111	F49 W79 F222 L349 F352	F49-I83 HydrophobicContact CD1-CG1 4.02Å; F49-I83 HydrophobicContact CE1-CD1 4.05Å; F49-I83 HydrophobicContact CE1-CG1 4.04Å; W79-I83 HydrophobicContact CE3-CD1 3.68Å; W79-I83 HydrophobicContact CE3-CG1 3.99Å; W79-I83 HydrophobicContact CE3-CG2 4.09Å; W79-I83 HydrophobicContact CZ3-CD1 4.07Å; W79-I83 HydrophobicContact CZ3-CG2 4.08Å; W79-I83 WeakPolarHBondContact O-CG1 3.23Å; W79-I83 PolarHBondContact O-N 3.09Å; I83-F222 HydrophobicContact CD1-CB 4.47Å; I83-F222 HydrophobicContact CD1-CD2 3.84Å; I83-F222 HydrophobicContact CD1-CE2 4.37Å; I83-F222 HydrophobicContact CD1-CG 4.25Å; I83-L349 HydrophobicContact CG2-CD2 4.43Å; I83-F352 HydrophobicContact CD1-CD1 4.4Å; I83-F352 HydrophobicContact CG2-CB 3.63Å; I83-F352 HydrophobicContact CG2-CG 4.26Å
84	Q	72.7	Confident	81.5	Confident	103 Å²	103	59.1 Å²	59.1	48%	0.481	29%	0.285	S	S	.	.			trans	-138.1	136.5	175.8	-173.3	-178.2	-13.2	0	0	110.1	K48 H88	K48-Q84 HydrophobicContact CB-CG 4.3Å; Q84-H88 PolarHBondContact NE2-NE2 2.92Å
85	P	75.5	Confident	81.9	Confident	13 Å²	13	57 Å²	57	8%	0.084	27%	0.274	C	S	.	.			trans	-66.9	135.6	173.1	27.6	-34.1	0	0	0	110.5	F49 K87 D157	F49-P85 HydrophobicContact CD2-CG 3.92Å; F49-P85 HydrophobicContact CE2-CG 4.48Å; P85-K87 VanDerWaalsContact C-N 3.29Å; P85-K87 PolarHBondContact O-N 2.71Å; P85-D157 HydrophobicContact CG-CB 4.18Å
86	K	73.3	Confident	82	Confident	159 Å²	159	58.9 Å²	58.9	69%	0.691	28%	0.282	S	S	*	.	S	Bend	trans	-65.8	-32.9	173.6	-70.7	-178.6	174.1	177	0	112.6	D235	K86-D235 PolarHBondContact NZ-O 3.49Å; K86-D235 IonicContact NZ-OD1 2.71Å
87	K	75.2	Confident	82.1	Confident	124 Å²	124	60.3 Å²	60.3	54%	0.539	29%	0.288	S	S	.	.	S	Bend	trans	-124.6	120.7	178.5	-166.8	-179.8	-179	-171.3	0	109.7	P85 T186	P85-K87 VanDerWaalsContact C-N 3.29Å; P85-K87 PolarHBondContact O-N 2.71Å; K87-T186 HydrophobicContact CB-CG2 4.46Å; K87-T186 HydrophobicContact CD-CG2 3.76Å
88	H	82.4	Confident	82.6	Confident	68 Å²	68	61.1 Å²	61.1	32%	0.315	30%	0.296	S	S	.	.			trans	-82.3	140.4	175	-67	-76.7	0	0	0	110.3	K48 Q84 T90 D157	K48-H88 PolarHBondContact O-CE1 2.61Å; Q84-H88 PolarHBondContact NE2-NE2 2.92Å; H88-T90 PolarHBondContact O-N 3.23Å; H88-D157 IonicContact CE1-OD1 3.9Å; H88-D157 IonicContact CE1-OD2 3.52Å; H88-D157 IonicContact CG-OD1 3.65Å; H88-D157 VanDerWaalsContact ND1-CG 3.28Å; H88-D157 IonicContact ND1-OD1 3.46Å; H88-D157 PolarHBondContact ND1-OD1 3.43Å; H88-D157 IonicContact ND1-OD2 3.81Å; H88-D157 PolarHBondContact ND1-OD2 2.94Å
89	P	79.2	Confident	83.4	Confident	18 Å²	18	58.4 Å²	58.4	12%	0.117	29%	0.286	C	S	.	.			trans	-60.5	133.4	172.4	-20.2	33.2	0	0	0	110.4	Q91 I93 D157	P89-Q91 VanDerWaalsContact C-N 3.31Å; P89-I93 HydrophobicContact CG-CD1 4.4Å; P89-D157 VanDerWaalsContact CD-OD1 3.24Å; P89-D157 WeakPolarHBondContact CD-OD1 3.44Å
90	T	78.9	Confident	83.9	Confident	104 Å²	104	65.5 Å²	65.5	64%	0.638	32%	0.324	S	S	*	.	S	Bend	trans	-83.4	-16.4	172.3	61.9	0	0	0	0	112.1	H88 R153 G154	H88-T90 PolarHBondContact O-N 3.23Å; T90-R153 WeakPolarHBondContact O-CA 3.39Å; T90-G154 PolarHBondContact O-N 3.39Å
91	Q	84	Confident	84.4	Confident	70 Å²	70	68.1 Å²	68.1	33%	0.327	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-119.8	157.5	-171.7	-68.8	168.3	58.2	0	0	111.1	P89 I93 K151 K152 G154	P89-Q91 VanDerWaalsContact C-N 3.31Å; Q91-I93 PolarHBondContact O-N 3.48Å; Q91-K151 HydrophobicContact CG-CB 3.87Å; Q91-K151 HydrophobicContact CG-CD 3.95Å; Q91-K151 HydrophobicContact CG-CG 3.95Å; Q91-K151 VanDerWaalsContact OE1-CG 3.28Å; Q91-K152 CarbonylContact C-O 3.55Å; Q91-K152 WeakPolarHBondContact CA-O 3.36Å; Q91-G154 VanDerWaalsContact C-CA 3.43Å; Q91-G154 WeakPolarHBondContact O-CA 3.21Å
92	K	89.4	Confident	85.3	Confident	91 Å²	91	65.3 Å²	65.3	40%	0.396	32%	0.322	S	S	.	.			trans	-58.8	133.4	169.9	-171.1	-179.1	174.1	-165.4	0	109.8	L94 K132 K152	K92-L94 HydrophobicContact CD-CD2 4.29Å; K92-L94 PolarHBondContact O-N 2.86Å; K92-K132 WeakPolarHBondContact CE-O 3.46Å; K92-K132 PolarHBondContact NZ-O 2.69Å; K92-K152 PolarHBondContact N-O 2.88Å
93	I	91.5	Very high	86.5	Confident	13 Å²	13	65.1 Å²	65.1	7%	0.067	32%	0.317	C	S	.	.			trans	-71.7	125	174.4	-65.4	164.5	0	0	0	108.5	P89 Q91 I156 V159 I190	P89-I93 HydrophobicContact CG-CD1 4.4Å; Q91-I93 PolarHBondContact O-N 3.48Å; I93-I156 HydrophobicContact CD1-CG2 4.3Å; I93-V159 HydrophobicContact CB-CG2 4.03Å; I93-V159 HydrophobicContact CD1-CG2 4.19Å; I93-V159 HydrophobicContact CG2-CG2 3.94Å; I93-I190 HydrophobicContact CD1-CB 4.09Å; I93-I190 HydrophobicContact CG1-CB 4.27Å; I93-I190 HydrophobicContact CG1-CD1 4.45Å; I93-I190 HydrophobicContact CG2-CB 4.25Å; I93-I190 HydrophobicContact CG2-CD1 4.05Å; I93-I190 HydrophobicContact CG2-CG1 4.13Å
94	L	92.2	Very high	87.5	Confident	36 Å²	36	68.1 Å²	68.1	19%	0.188	33%	0.327	C	S	.	.			trans	-133.4	138.7	175.5	-62.8	176.8	0	0	0	109	K92 Y133 Q135	K92-L94 HydrophobicContact CD-CD2 4.29Å; K92-L94 PolarHBondContact O-N 2.86Å; L94-Y133 CarbonylContact C-O 3.5Å; L94-Y133 VanDerWaalsContact CA-O 3.32Å; L94-Y133 WeakPolarHBondContact CA-O 3.42Å; L94-Q135 HydrophobicContact CB-CG 3.52Å; L94-Q135 PolarHBondContact O-NE2 3.31Å; L94-Q135 VanDerWaalsContact O-NE2 3.1Å
95	I	93.4	Very high	88.5	Confident	10 Å²	10	63.3 Å²	63.3	5%	0.051	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-99.1	137.7	-175.2	-52.3	173.6	0	0	0	108.6	I129 Y133 L134 Q135 F161 C180 E181 A191	I95-I129 HydrophobicContact CD1-CD1 4.19Å; I95-I129 HydrophobicContact CD1-CG1 4.31Å; I95-I129 HydrophobicContact CD1-CG2 3.89Å; I95-Y133 PolarHBondContact N-O 3.37Å; I95-L134 HydrophobicContact CB-CD2 4.4Å; I95-L134 WeakPolarHBondContact O-CA 3.32Å; I95-Q135 PolarHBondContact O-N 2.9Å; I95-F161 HydrophobicContact CD1-CD2 4.45Å; I95-F161 HydrophobicContact CD1-CE2 3.36Å; I95-F161 HydrophobicContact CD1-CZ 3.67Å; I95-C180 HydrophobicContact CD1-CB 4.29Å; I95-E181 WeakPolarHBondContact CA-OE2 3.36Å; I95-E181 HydrophobicContact CG1-CB 4.15Å; I95-E181 HydrophobicContact CG2-CB 4.27Å; I95-A191 HydrophobicContact CD1-CB 3.85Å; I95-A191 HydrophobicContact CG1-CB 4.09Å
96	E	92.5	Very high	89.3	Confident	39 Å²	39	70.2 Å²	70.2	18%	0.182	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-60.6	142.2	172.3	-165.4	179.1	162.8	0	0	111.2	R102 H112 E181	E96-R102 VanDerWaalsContact CD-NE 3.33Å; E96-R102 IonicContact OE1-CZ 2.95Å; E96-R102 IonicContact OE1-NE 3.88Å; E96-R102 PolarHBondContact OE1-NE 2.88Å; E96-R102 IonicContact OE1-NH2 2.69Å; E96-R102 PolarHBondContact OE1-NH2 3.1Å; E96-R102 IonicContact OE2-CZ 3.37Å; E96-R102 IonicContact OE2-NE 3.54Å; E96-R102 PolarHBondContact OE2-NE 3.26Å; E96-R102 IonicContact OE2-NH2 3.62Å; E96-R102 PolarHBondContact OE2-NH2 3.42Å; E96-H112 WeakPolarHBondContact OE1-CB 3.32Å; E96-E181 PolarHBondContact N-OE2 3.3Å
97	R	94.9	Very high	90.2	Very high	31 Å²	31	68.7 Å²	68.7	12%	0.117	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-73.9	147.7	178	-66.4	-174.9	-178.2	-103.3	-7.2	111.1	C118 S122 E131 L134 Q135	R97-C118 HydrophobicContact CB-CB 3.75Å; R97-C118 HydrophobicContact CG-CB 4.35Å; R97-S122 WeakPolarHBondContact CA-OG 3.36Å; R97-E131 IonicContact CZ-OE1 2.88Å; R97-E131 IonicContact CZ-OE2 3.91Å; R97-E131 IonicContact NH1-OE1 2.68Å; R97-E131 IonicContact NH1-OE2 3.19Å; R97-E131 PolarHBondContact NH1-OE2 2.92Å; R97-E131 IonicContact NH2-OE1 3.9Å; R97-E131 PolarHBondContact NH2-OE1 2.91Å; R97-E131 IonicContact NH2-OE2 2.7Å; R97-E131 PolarHBondContact NH2-OE2 3.15Å; R97-L134 HydrophobicContact CG-CB 4.22Å; R97-L134 HydrophobicContact CG-CD1 4.37Å; R97-L134 HydrophobicContact CG-CD2 4.37Å; R97-Q135 PolarHBondContact NE-O 3.15Å; R97-Q135 PolarHBondContact NH2-O 2.93Å
98	N	95.2	Very high	90.9	Very high	68 Å²	68	67.7 Å²	67.7	36%	0.364	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-73	151.9	168	-57	122.4	0	0	0	111.1	N119 S122 I123	N98-N119 WeakPolarHBondContact O-CB 3.28Å; N98-N119 PolarHBondContact O-N 2.95Å; N98-S122 PolarHBondContact N-OG 2.79Å; N98-S122 WeakPolarHBondContact OD1-CA 3.46Å; N98-S122 WeakPolarHBondContact OD1-CB 3.16Å; N98-I123 PolarHBondContact OD1-N 3.49Å; N98-I123 PolarHBondContact OD1-O 2.85Å
99	C	95.1	Very high	91.3	Very high	21 Å²	21	66 Å²	66	14%	0.142	33%	0.325	C	S	.	.			trans	-158.5	160.2	173.1	48.9	0	0	0	0	110.1	C114	C99-C114 HydrophobicContact CB-CB 3.28Å; C99-C114 WeakPolarHBondContact CB-SG 3.23Å; C99-C114 VanDerWaalsContact SG-CA 3.51Å; C99-C114 WeakPolarHBondContact SG-CB 3.36Å; C99-C114 CovalentContact SG-SG 2.03Å; C99-C114 PolarHBondContact SG-SG 2.77Å
100	D	93.7	Very high	91.7	Very high	149 Å²	149	70.4 Å²	70.4	80%	0.797	34%	0.339	S	S	*	.	S	Bend	trans	-73	-32.8	-177.4	-58.4	-23.8	0	0	0	111.8	N119	D100-N119 PolarHBondContact OD1-ND2 2.81Å
101	N	95	Very high	92.3	Very high	71 Å²	71	69.1 Å²	69.1	38%	0.38	32%	0.323	S	S	.	.	S	Bend	trans	-127.1	90.4	178.7	-170.7	10.8	0	0	0	111.9	C114 E115	N101-C114 CarbonylContact O-C 3.5Å; N101-C114 WeakPolarHBondContact O-CA 3.33Å; N101-E115 HydrophobicContact CB-CB 4.37Å; N101-E115 PolarHBondContact ND2-OE2 2.79Å; N101-E115 PolarHBondContact O-N 2.8Å
102	R	94.4	Very high	92.7	Very high	122 Å²	122	66.3 Å²	66.3	46%	0.46	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	108.2	178.6	-172.3	172.6	178	-88.6	2.4	110.9	E96 H112	E96-R102 VanDerWaalsContact CD-NE 3.33Å; E96-R102 IonicContact OE1-CZ 2.95Å; E96-R102 IonicContact OE1-NE 3.88Å; E96-R102 PolarHBondContact OE1-NE 2.88Å; E96-R102 IonicContact OE1-NH2 2.69Å; E96-R102 PolarHBondContact OE1-NH2 3.1Å; E96-R102 IonicContact OE2-CZ 3.37Å; E96-R102 IonicContact OE2-NE 3.54Å; E96-R102 PolarHBondContact OE2-NE 3.26Å; E96-R102 IonicContact OE2-NH2 3.62Å; E96-R102 PolarHBondContact OE2-NH2 3.42Å; R102-H112 HydrophobicContact CG-CB 3.95Å; R102-H112 PolarHBondContact NH1-CD2 3.32Å; R102-H112 PolarHBondContact NH1-CE1 3.49Å; R102-H112 VanDerWaalsContact NH1-CG 3.35Å; R102-H112 PolarHBondContact NH1-NE2 2.73Å; R102-H112 PolarHBondContact NH2-CE1 3.19Å; R102-H112 PolarHBondContact NH2-ND1 3.15Å
103	V	95	Very high	92.9	Very high	34 Å²	34	63.6 Å²	63.6	21%	0.206	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.7	-175	-174.5	0	0	0	0	110.7	H112 Y113 E115	V103-H112 CarbonylContact O-C 3.55Å; V103-H112 WeakPolarHBondContact O-CA 3.4Å; V103-H112 WeakPolarHBondContact O-CB 3.25Å; V103-Y113 HydrophobicContact CB-CD1 4.42Å; V103-Y113 HydrophobicContact CB-CD2 4.36Å; V103-Y113 HydrophobicContact CB-CE1 3.95Å; V103-Y113 HydrophobicContact CB-CE2 3.87Å; V103-Y113 HydrophobicContact CG1-CE1 3.83Å; V103-Y113 HydrophobicContact CG1-CE2 4.27Å; V103-Y113 WeakPolarHBondContact CG1-OH 3.44Å; V103-Y113 HydrophobicContact CG2-CE2 4.33Å; V103-Y113 PolarHBondContact N-O 2.98Å; V103-Y113 PolarHBondContact O-N 3.29Å; V103-E115 HydrophobicContact CG2-CB 3.74Å
104	R	93.8	Very high	93.1	Very high	86 Å²	86	63.1 Å²	63.1	33%	0.325	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	132.7	175	-173.4	177.3	-64.9	-83.2	1.4	109.7	P109 H112 E249	R104-P109 WeakPolarHBondContact CD-O 3.31Å; R104-P109 WeakPolarHBondContact CG-O 3.39Å; R104-P109 PolarHBondContact NH1-O 3.35Å; R104-H112 VanDerWaalsContact CZ-NE2 3.27Å; R104-H112 PolarHBondContact NH1-CE1 3.49Å; R104-H112 PolarHBondContact NH1-NE2 2.81Å; R104-H112 PolarHBondContact NH2-NE2 3.29Å; R104-E249 IonicContact CZ-OE1 2.92Å; R104-E249 IonicContact NH1-OE1 3.22Å; R104-E249 IonicContact NH2-OE1 3.94Å; R104-E249 PolarHBondContact NH2-OE1 3.47Å
105	S	93.4	Very high	93.1	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.014	31%	0.311	C	S	.	.			trans	-65.4	134.5	178.7	161.1	0	0	0	0	111.7	R108 P109 Y111 E141	S105-R108 WeakPolarHBondContact CB-O 3.25Å; S105-R108 WeakPolarHBondContact OG-CA 3.47Å; S105-R108 PolarHBondContact OG-N 2.85Å; S105-R108 PolarHBondContact OG-O 2.69Å; S105-P109 WeakPolarHBondContact O-CA 3.04Å; S105-Y111 WeakPolarHBondContact CB-O 3.32Å; S105-Y111 PolarHBondContact N-O 3.3Å; S105-E141 WeakPolarHBondContact CA-OE2 3.43Å; S105-E141 WeakPolarHBondContact CB-OE1 3.46Å; S105-E141 PolarHBondContact OG-OE1 3.08Å; S105-E141 PolarHBondContact OG-OE2 3.42Å
106	L	93	Very high	93.1	Very high	159 Å²	159	70.2 Å²	70.2	83%	0.832	35%	0.351	S	S	*	.	S	Bend	trans	-77.8	-35.1	176.9	-68.2	174.1	0	0	0	111.9	E141	L106-E141 PolarHBondContact N-OE1 2.95Å; L106-E141 PolarHBondContact N-OE2 2.8Å
107	M	91	Very high	93.2	Very high	126 Å²	126	69.2 Å²	69.2	62%	0.621	35%	0.351	S	S	*	.	S	Bend	trans	-82.4	-29.4	-180	-60.2	-145.7	-75.5	0	0	112.7	E141 V145	M107-E141 VanDerWaalsContact CB-OE1 3.27Å; M107-E141 WeakPolarHBondContact CB-OE1 3.48Å; M107-E141 HydrophobicContact CE-CG 4.21Å; M107-E141 HydrophobicContact CG-CG 4.16Å; M107-E141 WeakPolarHBondContact CG-OE1 3.32Å; M107-E141 PolarHBondContact N-OE1 3.16Å; M107-V145 HydrophobicContact CB-CG2 4.04Å; M107-V145 HydrophobicContact CE-CB 4.12Å; M107-V145 HydrophobicContact CE-CG1 4.09Å; M107-V145 HydrophobicContact CE-CG2 3.34Å
108	R	90.4	Very high	93.2	Very high	103 Å²	103	69 Å²	69	39%	0.389	35%	0.354	S	S	.	.	S	Bend	trans	-134.3	77.9	176.7	-47.6	-166.9	95.3	-176.4	4.4	110.3	S105 R110 Y111 V144 V145	S105-R108 WeakPolarHBondContact CB-O 3.25Å; S105-R108 WeakPolarHBondContact OG-CA 3.47Å; S105-R108 PolarHBondContact OG-N 2.85Å; S105-R108 PolarHBondContact OG-O 2.69Å; R108-R110 PolarHBondContact O-N 3Å; R108-Y111 HydrophobicContact CB-CD2 3.76Å; R108-Y111 HydrophobicContact CB-CE2 4.48Å; R108-Y111 PolarHBondContact O-N 3.08Å; R108-V144 HydrophobicContact CB-CG1 4.05Å; R108-V144 HydrophobicContact CG-CG1 4.33Å; R108-V145 HydrophobicContact CG-CG2 4.41Å
109	P	91.7	Very high	93.2	Very high	33 Å²	33	68.2 Å²	68.2	21%	0.214	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-7.6	-170	-23.1	33.8	0	0	0	117.1	R104 S105 Y111 Q246 T247	R104-P109 WeakPolarHBondContact CD-O 3.31Å; R104-P109 WeakPolarHBondContact CG-O 3.39Å; R104-P109 PolarHBondContact NH1-O 3.35Å; S105-P109 WeakPolarHBondContact O-CA 3.04Å; P109-Y111 VanDerWaalsContact C-N 3.29Å; P109-Q246 HydrophobicContact CB-CB 4.39Å; P109-Q246 HydrophobicContact CG-CB 4.42Å; P109-T247 HydrophobicContact CB-CG2 4.07Å
110	R	87.8	Confident	93.1	Very high	110 Å²	110	74.8 Å²	74.8	42%	0.415	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.1	169.2	-63.9	-160.3	175	-172.3	-0.2	114.2	R108 T247	R108-R110 PolarHBondContact O-N 3Å; R110-T247 WeakPolarHBondContact CG-O 3.5Å
111	Y	90.5	Very high	93.2	Very high	77 Å²	77	70.5 Å²	70.5	30%	0.302	36%	0.362	S	S	.	.			trans	-116.4	160.1	-175.7	-63.1	-86.1	0	0	0	110.9	S105 R108 P109 V144 L184	S105-Y111 WeakPolarHBondContact CB-O 3.32Å; S105-Y111 PolarHBondContact N-O 3.3Å; R108-Y111 HydrophobicContact CB-CD2 3.76Å; R108-Y111 HydrophobicContact CB-CE2 4.48Å; R108-Y111 PolarHBondContact O-N 3.08Å; P109-Y111 VanDerWaalsContact C-N 3.29Å; Y111-V144 HydrophobicContact CD2-CG1 4.42Å; Y111-V144 HydrophobicContact CG-CG1 4.11Å; Y111-L184 HydrophobicContact CD1-CD1 4.18Å; Y111-L184 HydrophobicContact CE1-CD1 3.66Å
112	H	92	Very high	93.2	Very high	12 Å²	12	67.2 Å²	67.2	6%	0.056	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	160.3	177.6	-56	78.2	0	0	0	109.9	E96 R102 V103 R104	E96-H112 WeakPolarHBondContact OE1-CB 3.32Å; R102-H112 HydrophobicContact CG-CB 3.95Å; R102-H112 PolarHBondContact NH1-CD2 3.32Å; R102-H112 PolarHBondContact NH1-CE1 3.49Å; R102-H112 VanDerWaalsContact NH1-CG 3.35Å; R102-H112 PolarHBondContact NH1-NE2 2.73Å; R102-H112 PolarHBondContact NH2-CE1 3.19Å; R102-H112 PolarHBondContact NH2-ND1 3.15Å; V103-H112 CarbonylContact O-C 3.55Å; V103-H112 WeakPolarHBondContact O-CA 3.4Å; V103-H112 WeakPolarHBondContact O-CB 3.25Å; R104-H112 VanDerWaalsContact CZ-NE2 3.27Å; R104-H112 PolarHBondContact NH1-CE1 3.49Å; R104-H112 PolarHBondContact NH1-NE2 2.81Å; R104-H112 PolarHBondContact NH2-NE2 3.29Å
113	Y	94.1	Very high	93.2	Very high	33 Å²	33	65.6 Å²	65.6	13%	0.129	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	165.2	171.1	67.3	-90	0	0	0	109.2	V103 E115 R138 E141 V144	V103-Y113 HydrophobicContact CB-CD1 4.42Å; V103-Y113 HydrophobicContact CB-CD2 4.36Å; V103-Y113 HydrophobicContact CB-CE1 3.95Å; V103-Y113 HydrophobicContact CB-CE2 3.87Å; V103-Y113 HydrophobicContact CG1-CE1 3.83Å; V103-Y113 HydrophobicContact CG1-CE2 4.27Å; V103-Y113 WeakPolarHBondContact CG1-OH 3.44Å; V103-Y113 HydrophobicContact CG2-CE2 4.33Å; V103-Y113 PolarHBondContact N-O 2.98Å; V103-Y113 PolarHBondContact O-N 3.29Å; Y113-E115 HydrophobicContact CE2-CB 4.15Å; Y113-R138 WeakPolarHBondContact CA-O 3.42Å; Y113-R138 WeakPolarHBondContact CB-O 3.05Å; Y113-E141 VanDerWaalsContact CE1-OE2 3.29Å; Y113-E141 WeakPolarHBondContact CE1-OE2 3.1Å; Y113-V144 HydrophobicContact CD1-CG2 4.19Å; Y113-V144 HydrophobicContact CG-CG2 4.45Å
114	C	95.2	Very high	93.2	Very high	3 Å²	3	64.7 Å²	64.7	2%	0.02	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	102.1	-178.5	-68	0	0	0	0	109.4	C99 N101 G116 G117 R138 S139	C99-C114 HydrophobicContact CB-CB 3.28Å; C99-C114 WeakPolarHBondContact CB-SG 3.23Å; C99-C114 VanDerWaalsContact SG-CA 3.51Å; C99-C114 WeakPolarHBondContact SG-CB 3.36Å; C99-C114 CovalentContact SG-SG 2.03Å; C99-C114 PolarHBondContact SG-SG 2.77Å; N101-C114 CarbonylContact O-C 3.5Å; N101-C114 WeakPolarHBondContact O-CA 3.33Å; C114-G116 PolarHBondContact O-N 3.49Å; C114-G117 WeakPolarHBondContact CB-O 3.11Å; C114-G117 PolarHBondContact O-N 3.14Å; C114-R138 PolarHBondContact N-O 2.96Å; C114-S139 CarbonylContact O-C 3.58Å; C114-S139 VanDerWaalsContact O-CA 3.31Å; C114-S139 WeakPolarHBondContact O-CA 3.38Å
115	E	93.9	Very high	93	Very high	108 Å²	108	62.8 Å²	62.8	51%	0.505	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	124.6	175.4	-177.7	170.1	-117.3	0	0	109.1	N101 V103 Y113	N101-E115 HydrophobicContact CB-CB 4.37Å; N101-E115 PolarHBondContact ND2-OE2 2.79Å; N101-E115 PolarHBondContact O-N 2.8Å; V103-E115 HydrophobicContact CG2-CB 3.74Å; Y113-E115 HydrophobicContact CE2-CB 4.15Å
116	G	91.6	Very high	92.8	Very high	87 Å²	87	64.5 Å²	64.5	90%	0.897	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-3.4	-170.5	0	0	0	0	0	114.8	C114	C114-G116 PolarHBondContact O-N 3.49Å
117	G	94.6	Very high	92.8	Very high	18 Å²	18	57.4 Å²	57.4	19%	0.186	32%	0.317	C	S	.	.			trans	97.7	171.9	178.4	0	0	0	0	0	114	C114	C114-G117 WeakPolarHBondContact CB-O 3.11Å; C114-G117 PolarHBondContact O-N 3.14Å
118	C	95.5	Very high	93	Very high	26 Å²	26	57.4 Å²	57.4	18%	0.176	32%	0.315	C	S	.	.			trans	-90.3	151.3	-178.4	-49.4	0	0	0	0	111.7	R97 C137	R97-C118 HydrophobicContact CB-CB 3.75Å; R97-C118 HydrophobicContact CG-CB 4.35Å; C118-C137 HydrophobicContact CB-CB 3.84Å; C118-C137 WeakPolarHBondContact CB-SG 3.22Å; C118-C137 PolarHBondContact N-SG 3.19Å; C118-C137 WeakPolarHBondContact SG-CA 3.3Å; C118-C137 WeakPolarHBondContact SG-CB 3.38Å; C118-C137 CovalentContact SG-SG 2.04Å; C118-C137 PolarHBondContact SG-SG 2.88Å
119	N	95.7	Very high	93.2	Very high	52 Å²	52	52.8 Å²	52.8	28%	0.278	30%	0.298	S	S	.	.			trans	-65	145.1	175.4	-65	-1.4	0	0	0	109.9	N98 D100 V121	N98-N119 WeakPolarHBondContact O-CB 3.28Å; N98-N119 PolarHBondContact O-N 2.95Å; D100-N119 PolarHBondContact OD1-ND2 2.81Å; N119-V121 WeakPolarHBondContact CB-O 3.42Å; N119-V121 PolarHBondContact O-N 2.74Å
120	N	93.5	Very high	93.3	Very high	160 Å²	160	53.1 Å²	53.1	86%	0.856	30%	0.3	S	S	*	.	S	Bend	trans	-58.6	-30.8	177.1	-71.5	-21.1	0	0	0	112.1
121	V	94.5	Very high	93.6	Very high	58 Å²	58	53.7 Å²	53.7	35%	0.352	31%	0.307	S	S	.	.	S	Bend	trans	-121.2	132.5	178.6	-177.6	0	0	0	0	108.6	N119 I123 E128	N119-V121 WeakPolarHBondContact CB-O 3.42Å; N119-V121 PolarHBondContact O-N 2.74Å; V121-I123 HydrophobicContact CG1-CD1 4.35Å; V121-I123 HydrophobicContact CG1-CG1 3.89Å; V121-E128 HydrophobicContact CG1-CB 4.12Å; V121-E128 HydrophobicContact CG1-CG 3.58Å
122	S	95.9	Very high	93.7	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.014	31%	0.314	C	S	.	.			trans	-109.6	131.6	170.2	-63.5	0	0	0	0	109.5	R97 N98 I129	R97-S122 WeakPolarHBondContact CA-OG 3.36Å; N98-S122 PolarHBondContact N-OG 2.79Å; N98-S122 WeakPolarHBondContact OD1-CA 3.46Å; N98-S122 WeakPolarHBondContact OD1-CB 3.16Å; S122-I129 PolarHBondContact O-N 3.42Å
123	I	94.7	Very high	93.8	Very high	89 Å²	89	54.8 Å²	54.8	46%	0.456	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.8	-173	-57.2	178.7	0	0	0	109.4	N98 V121 F127	N98-I123 PolarHBondContact OD1-N 3.49Å; N98-I123 PolarHBondContact OD1-O 2.85Å; V121-I123 HydrophobicContact CG1-CD1 4.35Å; V121-I123 HydrophobicContact CG1-CG1 3.89Å; I123-F127 CarbonylContact C-O 3.55Å; I123-F127 VanDerWaalsContact CA-O 3.26Å; I123-F127 WeakPolarHBondContact CA-O 3.4Å
124	C	94.3	Very high	93.8	Very high	15 Å²	15	53.8 Å²	53.8	10%	0.101	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.1	167.8	176.3	0	0	0	0	109.4	G126 F127 I129 C180 S193	C124-G126 PolarHBondContact O-N 3.25Å; C124-G126 VanDerWaalsContact O-N 3.17Å; C124-F127 PolarHBondContact N-O 2.82Å; C124-F127 VanDerWaalsContact O-CB 3.31Å; C124-F127 WeakPolarHBondContact O-CB 3.23Å; C124-F127 PolarHBondContact O-N 3.17Å; C124-I129 HydrophobicContact CB-CD1 4Å; C124-I129 HydrophobicContact CB-CG1 4.35Å; C124-C180 HydrophobicContact CB-CB 3.75Å; C124-C180 WeakPolarHBondContact CB-SG 3.29Å; C124-C180 WeakPolarHBondContact SG-CA 3.45Å; C124-C180 WeakPolarHBondContact SG-CB 3.37Å; C124-C180 CovalentContact SG-SG 2.03Å; C124-C180 PolarHBondContact SG-SG 2.98Å; C124-S193 PolarHBondContact SG-OG 2.92Å
125	N	90.6	Very high	93.6	Very high	46 Å²	46	55.3 Å²	55.3	25%	0.246	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	45.1	-174.5	-161.9	14.1	0	0	0	112.9	F127 T176 D178 S193 V195	N125-F127 PolarHBondContact O-N 2.9Å; N125-T176 PolarHBondContact ND2-O 3.47Å; N125-T176 PolarHBondContact ND2-OG1 2.82Å; N125-T176 PolarHBondContact OD1-OG1 3.24Å; N125-D178 HydrophobicContact CB-CB 3.78Å; N125-S193 WeakPolarHBondContact CB-OG 3.5Å; N125-S193 PolarHBondContact ND2-O 3.16Å; N125-V195 HydrophobicContact CB-CG2 4.48Å; N125-V195 WeakPolarHBondContact O-CG2 3.3Å
126	G	88.8	Confident	93.4	Very high	38 Å²	38	56.3 Å²	56.3	39%	0.392	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	1.8	-177.9	0	0	0	0	0	116	C124 R163	C124-G126 PolarHBondContact O-N 3.25Å; C124-G126 VanDerWaalsContact O-N 3.17Å; G126-R163 VanDerWaalsContact C-NE 3.34Å; G126-R163 VanDerWaalsContact O-CD 3.24Å; G126-R163 WeakPolarHBondContact O-CD 3.43Å; G126-R163 VanDerWaalsContact O-CZ 3.31Å; G126-R163 PolarHBondContact O-NE 3.19Å; G126-R163 VanDerWaalsContact O-NE 3.14Å
127	F	92.6	Very high	93.4	Very high	10 Å²	10	54.4 Å²	54.4	4%	0.044	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.5	172.6	-164.2	-71.6	0	0	0	110.6	V54 I123 C124 N125 I129 F161 V162 R163	V54-F127 HydrophobicContact CG1-CZ 4.19Å; I123-F127 CarbonylContact C-O 3.55Å; I123-F127 VanDerWaalsContact CA-O 3.26Å; I123-F127 WeakPolarHBondContact CA-O 3.4Å; C124-F127 PolarHBondContact N-O 2.82Å; C124-F127 VanDerWaalsContact O-CB 3.31Å; C124-F127 WeakPolarHBondContact O-CB 3.23Å; C124-F127 PolarHBondContact O-N 3.17Å; N125-F127 PolarHBondContact O-N 2.9Å; F127-I129 HydrophobicContact CD1-CD1 4.06Å; F127-I129 PolarHBondContact O-N 3.4Å; F127-F161 HydrophobicContact CB-CB 4.25Å; F127-F161 HydrophobicContact CD1-CB 3.73Å; F127-F161 AromaticContact CD1-CD1 3.87Å; F127-F161 HydrophobicContact CD1-CD1 3.87Å; F127-F161 AromaticContact CD1-CG 4Å; F127-F161 HydrophobicContact CD1-CG 4Å; F127-F161 HydrophobicContact CD2-CB 3.66Å; F127-F161 HydrophobicContact CE1-CB 3.98Å; F127-F161 AromaticContact CE1-CD1 3.57Å; F127-F161 HydrophobicContact CE1-CD1 3.57Å; F127-F161 HydrophobicContact CE1-CG 4.11Å; F127-F161 HydrophobicContact CE2-CB 3.9Å; F127-F161 HydrophobicContact CG-CB 3.6Å; F127-F161 HydrophobicContact CG-CG 4.35Å; F127-F161 HydrophobicContact CZ-CB 4.07Å; F127-F161 HydrophobicContact CZ-CD1 4.04Å; F127-V162 WeakPolarHBondContact CE2-O 3.49Å; F127-R163 HydrophobicContact CD2-CB 3.66Å; F127-R163 HydrophobicContact CD2-CG 4.08Å; F127-R163 HydrophobicContact CE2-CB 4.07Å
128	E	94.2	Very high	93.4	Very high	125 Å²	125	56.1 Å²	56.1	58%	0.584	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	111.1	170.4	168.8	167.3	178.7	0	0	110.9	V121 P130	V121-E128 HydrophobicContact CG1-CB 4.12Å; V121-E128 HydrophobicContact CG1-CG 3.58Å; E128-P130 WeakPolarHBondContact O-CD 3.44Å
129	I	94.9	Very high	93.3	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.031	30%	0.302	C	S	.	.			trans	-72.9	124	-176.2	-56.6	-53.6	0	0	0	109.8	I95 S122 C124 F127 L134 F161	I95-I129 HydrophobicContact CD1-CD1 4.19Å; I95-I129 HydrophobicContact CD1-CG1 4.31Å; I95-I129 HydrophobicContact CD1-CG2 3.89Å; S122-I129 PolarHBondContact O-N 3.42Å; C124-I129 HydrophobicContact CB-CD1 4Å; C124-I129 HydrophobicContact CB-CG1 4.35Å; F127-I129 HydrophobicContact CD1-CD1 4.06Å; F127-I129 PolarHBondContact O-N 3.4Å; I129-L134 HydrophobicContact CB-CD2 3.93Å; I129-L134 HydrophobicContact CB-CG 4.45Å; I129-L134 HydrophobicContact CG2-CD2 3.58Å; I129-L134 HydrophobicContact CG2-CG 3.96Å; I129-F161 HydrophobicContact CD1-CD1 4.04Å; I129-F161 HydrophobicContact CD1-CD2 3.65Å; I129-F161 HydrophobicContact CD1-CE1 4.09Å; I129-F161 HydrophobicContact CD1-CE2 3.72Å; I129-F161 HydrophobicContact CD1-CG 3.82Å; I129-F161 HydrophobicContact CD1-CZ 3.93Å; I129-F161 HydrophobicContact CG2-CE1 4.36Å; I129-F161 HydrophobicContact CG2-CZ 4.1Å
130	P	94.7	Very high	93.1	Very high	40 Å²	40	56.9 Å²	56.9	26%	0.26	30%	0.303	S	S	.	.			trans	-63.8	140.9	178.7	-20.5	31.9	0	0	0	111.7	V54 E128 K132 Y133	V54-P130 HydrophobicContact CG1-CG 4.23Å; E128-P130 WeakPolarHBondContact O-CD 3.44Å; P130-K132 HydrophobicContact CB-CG 4.43Å; P130-K132 PolarHBondContact O-N 3.34Å; P130-Y133 HydrophobicContact CB-CD2 4.11Å; P130-Y133 HydrophobicContact CG-CD2 4.13Å; P130-Y133 WeakPolarHBondContact O-CB 3.46Å; P130-Y133 PolarHBondContact O-N 2.91Å
131	E	93.5	Very high	93.1	Very high	122 Å²	122	50.9 Å²	50.9	57%	0.57	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-46.2	-37.4	-177.5	-175.1	64.3	-169.2	0	0	114.2	R97 Y133 L134	R97-E131 IonicContact CZ-OE1 2.88Å; R97-E131 IonicContact CZ-OE2 3.91Å; R97-E131 IonicContact NH1-OE1 2.68Å; R97-E131 IonicContact NH1-OE2 3.19Å; R97-E131 PolarHBondContact NH1-OE2 2.92Å; R97-E131 IonicContact NH2-OE1 3.9Å; R97-E131 PolarHBondContact NH2-OE1 2.91Å; R97-E131 IonicContact NH2-OE2 2.7Å; R97-E131 PolarHBondContact NH2-OE2 3.15Å; E131-Y133 PolarHBondContact O-N 3.47Å; E131-Y133 VanDerWaalsContact O-N 3.12Å; E131-L134 PolarHBondContact O-N 3.37Å
132	K	92.4	Very high	92.9	Very high	100 Å²	100	56.4 Å²	56.4	44%	0.435	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-66.3	-12.6	178.7	71.4	-179.1	174.4	-171.8	0	114.8	E42 K92 P130	E42-K132 WeakPolarHBondContact OE1-CE 3.48Å; E42-K132 IonicContact OE1-NZ 3.37Å; E42-K132 PolarHBondContact OE1-NZ 2.86Å; E42-K132 IonicContact OE2-NZ 3.54Å; E42-K132 PolarHBondContact OE2-NZ 2.72Å; K92-K132 WeakPolarHBondContact CE-O 3.46Å; K92-K132 PolarHBondContact NZ-O 2.69Å; P130-K132 HydrophobicContact CB-CG 4.43Å; P130-K132 PolarHBondContact O-N 3.34Å
133	Y	94.4	Very high	92.6	Very high	13 Å²	13	59.1 Å²	59.1	5%	0.051	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-105.2	0.1	175.3	-67.2	-72.4	0	0	0	112.3	E42 R52 V54 L94 I95 P130 E131 V159 F161	E42-Y133 PolarHBondContact OE2-OH 2.79Å; R52-Y133 HydrophobicContact CG-CE1 4.45Å; R52-Y133 WeakPolarHBondContact CG-OH 3.19Å; V54-Y133 HydrophobicContact CG2-CD2 4.46Å; V54-Y133 HydrophobicContact CG2-CE2 3.55Å; L94-Y133 CarbonylContact C-O 3.5Å; L94-Y133 VanDerWaalsContact CA-O 3.32Å; L94-Y133 WeakPolarHBondContact CA-O 3.42Å; I95-Y133 PolarHBondContact N-O 3.37Å; P130-Y133 HydrophobicContact CB-CD2 4.11Å; P130-Y133 HydrophobicContact CG-CD2 4.13Å; P130-Y133 WeakPolarHBondContact O-CB 3.46Å; P130-Y133 PolarHBondContact O-N 2.91Å; E131-Y133 PolarHBondContact O-N 3.47Å; E131-Y133 VanDerWaalsContact O-N 3.12Å; Y133-V159 HydrophobicContact CD1-CG1 4.09Å; Y133-V159 HydrophobicContact CD1-CG2 4.28Å; Y133-V159 HydrophobicContact CE1-CG1 3.86Å; Y133-V159 HydrophobicContact CE1-CG2 4.11Å; Y133-F161 AromaticContact CD2-CE1 3.93Å; Y133-F161 HydrophobicContact CD2-CE1 3.93Å; Y133-F161 HydrophobicContact CD2-CZ 4.23Å; Y133-F161 HydrophobicContact CE2-CE1 4.35Å; Y133-F161 HydrophobicContact CG-CE1 4.24Å; Y133-F161 HydrophobicContact CG-CZ 4.06Å
134	L	94.1	Very high	92.1	Very high	12 Å²	12	55.2 Å²	55.2	6%	0.063	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-94.1	144	178.1	-64.8	176.1	0	0	0	111.3	I95 R97 I129 E131	I95-L134 HydrophobicContact CB-CD2 4.4Å; I95-L134 WeakPolarHBondContact O-CA 3.32Å; R97-L134 HydrophobicContact CG-CB 4.22Å; R97-L134 HydrophobicContact CG-CD1 4.37Å; R97-L134 HydrophobicContact CG-CD2 4.37Å; I129-L134 HydrophobicContact CB-CD2 3.93Å; I129-L134 HydrophobicContact CB-CG 4.45Å; I129-L134 HydrophobicContact CG2-CD2 3.58Å; I129-L134 HydrophobicContact CG2-CG 3.96Å; E131-L134 PolarHBondContact O-N 3.37Å
135	Q	91	Very high	91.5	Very high	35 Å²	35	57.2 Å²	57.2	16%	0.164	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-65.4	158.4	165.8	-65.6	179.7	30.2	0	0	109.7	L94 I95 R97 C137 R138	L94-Q135 HydrophobicContact CB-CG 3.52Å; L94-Q135 PolarHBondContact O-NE2 3.31Å; L94-Q135 VanDerWaalsContact O-NE2 3.1Å; I95-Q135 PolarHBondContact O-N 2.9Å; R97-Q135 PolarHBondContact NE-O 3.15Å; R97-Q135 PolarHBondContact NH2-O 2.93Å; Q135-C137 PolarHBondContact O-N 2.59Å; Q135-R138 VanDerWaalsContact OE1-NH2 3.15Å
136	K	90.5	Very high	90.7	Very high	129 Å²	129	57.9 Å²	57.9	56%	0.561	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-57.3	141	164.1	-80	177	-175.8	-173.1	0	110.3	R138 E149	K136-R138 PolarHBondContact O-N 2.85Å; K136-E149 WeakPolarHBondContact CB-OE1 3.44Å; K136-E149 HydrophobicContact CD-CG 4.43Å; K136-E149 VanDerWaalsContact CD-OE1 3.28Å; K136-E149 WeakPolarHBondContact CD-OE1 3.19Å; K136-E149 WeakPolarHBondContact CG-OE1 3.46Å
137	C	91.9	Very high	89.1	Confident	47 Å²	47	65.4 Å²	65.4	32%	0.318	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-62.4	134.2	173.7	-174.7	0	0	0	0	110	C118 Q135	C118-C137 HydrophobicContact CB-CB 3.84Å; C118-C137 WeakPolarHBondContact CB-SG 3.22Å; C118-C137 PolarHBondContact N-SG 3.19Å; C118-C137 WeakPolarHBondContact SG-CA 3.3Å; C118-C137 WeakPolarHBondContact SG-CB 3.38Å; C118-C137 CovalentContact SG-SG 2.04Å; C118-C137 PolarHBondContact SG-SG 2.88Å; Q135-C137 PolarHBondContact O-N 2.59Å
138	R	92.9	Very high	87	Confident	53 Å²	53	69.3 Å²	69.3	20%	0.2	35%	0.35	C	S	.	.			trans	-112.2	114.4	169.2	-60.6	-179	-170.2	128.5	13.3	106.1	Y113 C114 Q135 K136 D143 V144	Y113-R138 WeakPolarHBondContact CA-O 3.42Å; Y113-R138 WeakPolarHBondContact CB-O 3.05Å; C114-R138 PolarHBondContact N-O 2.96Å; Q135-R138 VanDerWaalsContact OE1-NH2 3.15Å; K136-R138 PolarHBondContact O-N 2.85Å; R138-D143 HydrophobicContact CB-CB 3.84Å; R138-D143 HydrophobicContact CG-CB 4.08Å; R138-V144 HydrophobicContact CB-CG2 4.36Å
139	S	93.1	Very high	85.1	Confident	53 Å²	53	67.3 Å²	67.3	37%	0.371	34%	0.341	S	S	.	.			trans	-101.9	-8.5	-176.2	-52.1	0	0	0	0	112.2	C114 D143	C114-S139 CarbonylContact O-C 3.58Å; C114-S139 VanDerWaalsContact O-CA 3.31Å; C114-S139 WeakPolarHBondContact O-CA 3.38Å; S139-D143 PolarHBondContact N-OD2 3.25Å
140	S	93.5	Very high	83	Confident	41 Å²	41	73.3 Å²	73.3	29%	0.287	38%	0.377	S	S	.	.	S	Bend	trans	-152.9	166.7	-176.4	69.5	0	0	0	0	112.8	K142 D143 V144	S140-K142 PolarHBondContact O-N 3.28Å; S140-K142 PolarHBondContact OG-N 3.33Å; S140-D143 PolarHBondContact N-OD2 2.04Å; S140-D143 WeakPolarHBondContact O-CB 3.49Å; S140-D143 PolarHBondContact O-N 3.11Å; S140-D143 PolarHBondContact OG-OD2 3.22Å; S140-V144 PolarHBondContact O-N 2.03Å
141	E	92.2	Very high	81.2	Confident	35 Å²	35	78.3 Å²	78.3	16%	0.164	40%	0.395	C	S	.	.	H	α-helix	trans	-53.4	-36.8	171.6	-165.4	66.4	-154.2	0	0	112.5	S105 L106 M107 Y113 D143 V144 V145	S105-E141 WeakPolarHBondContact CA-OE2 3.43Å; S105-E141 WeakPolarHBondContact CB-OE1 3.46Å; S105-E141 PolarHBondContact OG-OE1 3.08Å; S105-E141 PolarHBondContact OG-OE2 3.42Å; L106-E141 PolarHBondContact N-OE1 2.95Å; L106-E141 PolarHBondContact N-OE2 2.8Å; M107-E141 VanDerWaalsContact CB-OE1 3.27Å; M107-E141 WeakPolarHBondContact CB-OE1 3.48Å; M107-E141 HydrophobicContact CE-CG 4.21Å; M107-E141 HydrophobicContact CG-CG 4.16Å; M107-E141 WeakPolarHBondContact CG-OE1 3.32Å; M107-E141 PolarHBondContact N-OE1 3.16Å; Y113-E141 VanDerWaalsContact CE1-OE2 3.29Å; Y113-E141 WeakPolarHBondContact CE1-OE2 3.1Å; E141-D143 VanDerWaalsContact C-N 3.31Å; E141-D143 PolarHBondContact O-N 3.45Å; E141-V144 PolarHBondContact O-N 3.4Å; E141-V145 WeakPolarHBondContact O-CG2 3.45Å; E141-V145 PolarHBondContact O-N 2.57Å
142	K	90.5	Very high	79.7	Confident	174 Å²	174	79.8 Å²	79.8	76%	0.757	40%	0.399	S	S	*	.	H	α-helix	trans	-62.9	-37.5	178.7	-71.6	-177.4	179.8	177.2	0	111.8	S140 V144 V145 S146	S140-K142 PolarHBondContact O-N 3.28Å; S140-K142 PolarHBondContact OG-N 3.33Å; K142-V144 VanDerWaalsContact C-N 3.32Å; K142-V144 PolarHBondContact O-N 3.09Å; K142-V145 PolarHBondContact O-N 2.94Å; K142-S146 PolarHBondContact O-N 3.24Å
143	D	89.7	Confident	78.7	Confident	58 Å²	58	86.1 Å²	86.1	31%	0.31	42%	0.42	S	S	.	.	H	α-helix	trans	-68	-35.6	-178.8	-58	-41.4	0	0	0	111.6	R138 S139 S140 E141 V145 S146	R138-D143 HydrophobicContact CB-CB 3.84Å; R138-D143 HydrophobicContact CG-CB 4.08Å; S139-D143 PolarHBondContact N-OD2 3.25Å; S140-D143 PolarHBondContact N-OD2 2.04Å; S140-D143 WeakPolarHBondContact O-CB 3.49Å; S140-D143 PolarHBondContact O-N 3.11Å; S140-D143 PolarHBondContact OG-OD2 3.22Å; E141-D143 VanDerWaalsContact C-N 3.31Å; E141-D143 PolarHBondContact O-N 3.45Å; D143-V145 VanDerWaalsContact C-N 3.3Å; D143-V145 PolarHBondContact O-N 2.84Å; D143-S146 PolarHBondContact O-OG 2.97Å
144	V	85.2	Confident	77.6	Confident	7 Å²	7	86 Å²	86	4%	0.042	42%	0.423	C	S	.	.	H	α-helix	trans	-65.3	-35.7	175.7	-178.9	0	0	0	0	111.8	R108 Y111 Y113 R138 S140 E141 K142	R108-V144 HydrophobicContact CB-CG1 4.05Å; R108-V144 HydrophobicContact CG-CG1 4.33Å; Y111-V144 HydrophobicContact CD2-CG1 4.42Å; Y111-V144 HydrophobicContact CG-CG1 4.11Å; Y113-V144 HydrophobicContact CD1-CG2 4.19Å; Y113-V144 HydrophobicContact CG-CG2 4.45Å; R138-V144 HydrophobicContact CB-CG2 4.36Å; S140-V144 PolarHBondContact O-N 2.03Å; E141-V144 PolarHBondContact O-N 3.4Å; K142-V144 VanDerWaalsContact C-N 3.32Å; K142-V144 PolarHBondContact O-N 3.09Å
145	V	80.3	Confident	77.1	Confident	57 Å²	57	90.4 Å²	90.4	35%	0.345	45%	0.447	S	S	.	.	H	α-helix	trans	-88.1	-25.4	-173.7	-177	0	0	0	0	111	M107 R108 E141 K142 D143 K147	M107-V145 HydrophobicContact CB-CG2 4.04Å; M107-V145 HydrophobicContact CE-CB 4.12Å; M107-V145 HydrophobicContact CE-CG1 4.09Å; M107-V145 HydrophobicContact CE-CG2 3.34Å; R108-V145 HydrophobicContact CG-CG2 4.41Å; E141-V145 WeakPolarHBondContact O-CG2 3.45Å; E141-V145 PolarHBondContact O-N 2.57Å; K142-V145 PolarHBondContact O-N 2.94Å; D143-V145 VanDerWaalsContact C-N 3.3Å; D143-V145 PolarHBondContact O-N 2.84Å; V145-K147 PolarHBondContact O-N 3.22Å; V145-K147 VanDerWaalsContact O-N 3.1Å
146	S	74.6	Confident	77.2	Confident	60 Å²	60	90 Å²	90	42%	0.42	45%	0.445	S	S	.	.	S	Bend	trans	-59.7	114.7	173	82.5	0	0	0	0	110	K142 D143 T148	K142-S146 PolarHBondContact O-N 3.24Å; D143-S146 PolarHBondContact O-OG 2.97Å; S146-T148 PolarHBondContact O-N 2.89Å; S146-T148 PolarHBondContact OG-OG1 2.87Å
147	K	54.8	Low	77.3	Confident	197 Å²	197	83.8 Å²	83.8	86%	0.857	42%	0.419	S	S	*	.			trans	-71.8	80.1	174.4	-79.9	-177.3	178.5	173.9	0	108.7	V145	V145-K147 PolarHBondContact O-N 3.22Å; V145-K147 VanDerWaalsContact O-N 3.1Å
148	T	49.5	Very low	77.4	Confident	91 Å²	91	81.6 Å²	81.6	56%	0.558	40%	0.404	S	S	*	.			trans	-142.2	75.6	-178.4	-14.4	0	0	0	0	112.7	S146	S146-T148 PolarHBondContact O-N 2.89Å; S146-T148 PolarHBondContact OG-OG1 2.87Å
149	E	53.8	Low	77.6	Confident	84 Å²	84	79.2 Å²	79.2	39%	0.393	40%	0.395	S	S	.	.			trans	-149.9	121.7	143.8	-115.6	166	-153.1	0	0	111.4	K136 K151	K136-E149 WeakPolarHBondContact CB-OE1 3.44Å; K136-E149 HydrophobicContact CD-CG 4.43Å; K136-E149 VanDerWaalsContact CD-OE1 3.28Å; K136-E149 WeakPolarHBondContact CD-OE1 3.19Å; K136-E149 WeakPolarHBondContact CG-OE1 3.46Å; E149-K151 PolarHBondContact O-N 2.84Å
150	V	49.5	Very low	77.9	Confident	131 Å²	131	76.7 Å²	76.7	79%	0.794	38%	0.377	S	S	*	.			trans	-59	108.2	168.1	175.4	0	0	0	0	106.7	K152	V150-K152 VanDerWaalsContact C-N 3.27Å; V150-K152 PolarHBondContact O-N 2.9Å
151	K	57	Low	78	Confident	146 Å²	146	74.7 Å²	74.7	64%	0.635	36%	0.364	S	S	*	.			trans	-63	85.4	177.1	-73.5	-174	169.1	-165.6	0	109.6	Q91 E149 R153	Q91-K151 HydrophobicContact CG-CB 3.87Å; Q91-K151 HydrophobicContact CG-CD 3.95Å; Q91-K151 HydrophobicContact CG-CG 3.95Å; Q91-K151 VanDerWaalsContact OE1-CG 3.28Å; E149-K151 PolarHBondContact O-N 2.84Å; K151-R153 PolarHBondContact O-N 2.78Å
152	K	63.8	Low	78.2	Confident	152 Å²	152	73.2 Å²	73.2	66%	0.661	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-62.1	127	171.6	-75.5	-172.4	178.1	-179.4	0	108	Q91 K92 V150 G154	Q91-K152 CarbonylContact C-O 3.55Å; Q91-K152 WeakPolarHBondContact CA-O 3.36Å; K92-K152 PolarHBondContact N-O 2.88Å; V150-K152 VanDerWaalsContact C-N 3.27Å; V150-K152 PolarHBondContact O-N 2.9Å; K152-G154 PolarHBondContact O-N 3.02Å
153	R	70.1	Confident	78.3	Confident	233 Å²	233	67 Å²	67	88%	0.879	33%	0.329	S	S	*	.	B	Isolated β-bridge	trans	-55.6	124.1	179.8	-170.4	176.4	-179.9	177.9	0.6	109.6	T90 K151	T90-R153 WeakPolarHBondContact O-CA 3.39Å; K151-R153 PolarHBondContact O-N 2.78Å
154	G	71.1	Confident	78.3	Confident	11 Å²	11	65.1 Å²	65.1	11%	0.113	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-85.3	140.1	176.3	0	0	0	0	0	111.3	T90 Q91 K152	T90-G154 PolarHBondContact O-N 3.39Å; Q91-G154 VanDerWaalsContact C-CA 3.43Å; Q91-G154 WeakPolarHBondContact O-CA 3.21Å; K152-G154 PolarHBondContact O-N 3.02Å
155	N	84.5	Confident	78.1	Confident	104 Å²	104	68 Å²	68	56%	0.556	33%	0.333	S	S	*	.			trans	-122.2	17.6	171.5	68.5	-20.5	0	0	0	112.2	R50	R50-N155 VanDerWaalsContact CD-O 3.25Å; R50-N155 WeakPolarHBondContact CD-O 3.1Å; R50-N155 VanDerWaalsContact CZ-C 3.45Å; R50-N155 PolarHBondContact NE-O 3.4Å; R50-N155 VanDerWaalsContact NE-O 3.16Å; R50-N155 PolarHBondContact NH1-O 2.69Å
156	I	92.9	Very high	77.4	Confident	26 Å²	26	72.8 Å²	72.8	13%	0.133	36%	0.356	C	S	.	.			trans	-128.8	141.5	-177.4	-67	156	0	0	0	107.4	R52 I93 F158 V159	R52-I156 HydrophobicContact CB-CD1 3.72Å; R52-I156 HydrophobicContact CB-CG1 4.09Å; R52-I156 HydrophobicContact CB-CG2 3.65Å; R52-I156 HydrophobicContact CG-CD1 4.08Å; I93-I156 HydrophobicContact CD1-CG2 4.3Å; I156-F158 WeakPolarHBondContact CG2-O 3.32Å; I156-V159 HydrophobicContact CG2-CG2 4.29Å
157	D	92	Very high	76.8	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.365	C	S	.	.	S	Bend	trans	-103.7	-20.6	-177	-54	-58.6	0	0	0	112.7	F49 R50 P85 H88 P89 R188	F49-D157 HydrophobicContact CD2-CB 3.67Å; F49-D157 HydrophobicContact CE2-CB 3.83Å; R50-D157 WeakPolarHBondContact CB-OD2 3.41Å; R50-D157 IonicContact CZ-OD1 3.65Å; R50-D157 IonicContact CZ-OD2 2.72Å; R50-D157 PolarHBondContact N-OD2 3.07Å; R50-D157 IonicContact NE-OD1 3.11Å; R50-D157 IonicContact NE-OD2 2.61Å; R50-D157 PolarHBondContact NE-OD2 2.89Å; R50-D157 IonicContact NH2-OD1 3.46Å; R50-D157 PolarHBondContact NH2-OD1 2.99Å; R50-D157 IonicContact NH2-OD2 3.84Å; R50-D157 PolarHBondContact NH2-OD2 2.86Å; R50-D157 PolarHBondContact O-N 2.98Å; P85-D157 HydrophobicContact CG-CB 4.18Å; H88-D157 IonicContact CE1-OD1 3.9Å; H88-D157 IonicContact CE1-OD2 3.52Å; H88-D157 IonicContact CG-OD1 3.65Å; H88-D157 VanDerWaalsContact ND1-CG 3.28Å; H88-D157 IonicContact ND1-OD1 3.46Å; H88-D157 PolarHBondContact ND1-OD1 3.43Å; H88-D157 IonicContact ND1-OD2 3.81Å; H88-D157 PolarHBondContact ND1-OD2 2.94Å; P89-D157 VanDerWaalsContact CD-OD1 3.24Å; P89-D157 WeakPolarHBondContact CD-OD1 3.44Å; D157-R188 VanDerWaalsContact O-CZ 3.31Å; D157-R188 PolarHBondContact O-NH1 2.88Å; D157-R188 PolarHBondContact O-NH2 3.33Å
158	F	95.3	Very high	77.8	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	144.1	177.3	-166.6	-89.9	0	0	0	111.6	F49 R50 V51 R52 I156 L160 P189 I190 A191 G192 T221 F222	F49-F158 HydrophobicContact CE2-CB 3.84Å; F49-F158 HydrophobicContact CZ-CB 4.03Å; R50-F158 PolarHBondContact O-N 2.85Å; V51-F158 CarbonylContact C-O 3.59Å; V51-F158 WeakPolarHBondContact CA-O 3.47Å; V51-F158 HydrophobicContact CG1-CB 4.42Å; V51-F158 HydrophobicContact CG1-CD1 4.03Å; V51-F158 HydrophobicContact CG2-CB 4.21Å; R52-F158 PolarHBondContact N-O 3.03Å; I156-F158 WeakPolarHBondContact CG2-O 3.32Å; F158-L160 HydrophobicContact CD1-CB 4.26Å; F158-L160 HydrophobicContact CE1-CB 4.12Å; F158-L160 HydrophobicContact CE1-CD1 4.16Å; F158-P189 WeakPolarHBondContact CD2-O 3.17Å; F158-P189 HydrophobicContact CE2-CB 3.98Å; F158-I190 CarbonylContact C-O 3.53Å; F158-I190 VanDerWaalsContact CA-O 3.29Å; F158-I190 WeakPolarHBondContact CA-O 3.34Å; F158-A191 VanDerWaalsContact CZ-C 3.46Å; F158-G192 VanDerWaalsContact CZ-N 3.27Å; F158-T221 WeakPolarHBondContact CE2-O 3.34Å; F158-T221 VanDerWaalsContact CZ-O 3.28Å; F158-T221 WeakPolarHBondContact CZ-O 3.47Å; F158-F222 AromaticContact CD1-CE1 3.93Å; F158-F222 HydrophobicContact CD1-CE1 3.93Å; F158-F222 HydrophobicContact CD2-CD1 4.15Å; F158-F222 HydrophobicContact CD2-CE1 4.22Å; F158-F222 HydrophobicContact CE1-CD1 4.37Å; F158-F222 AromaticContact CE1-CE1 4Å; F158-F222 HydrophobicContact CE1-CE1 4Å; F158-F222 AromaticContact CE2-CD1 3.97Å; F158-F222 HydrophobicContact CE2-CD1 3.97Å; F158-F222 HydrophobicContact CE2-CE1 4.29Å; F158-F222 HydrophobicContact CG-CD1 4.44Å; F158-F222 HydrophobicContact CG-CE1 4.04Å; F158-F222 HydrophobicContact CZ-CD1 4.07Å; F158-F222 HydrophobicContact CZ-CE1 4.17Å
159	V	97.2	Very high	78.8	Confident	3 Å²	3	69.9 Å²	69.9	2%	0.018	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.4	171.3	-172	0	0	0	0	109.9	R52 V54 I93 Y133 I156 F161 I190 A191 G192	R52-V159 HydrophobicContact CB-CG2 4.44Å; R52-V159 HydrophobicContact CG-CG1 4.41Å; R52-V159 CarbonylContact O-C 3.56Å; R52-V159 WeakPolarHBondContact O-CA 3.36Å; V54-V159 HydrophobicContact CG2-CG1 4.13Å; I93-V159 HydrophobicContact CB-CG2 4.03Å; I93-V159 HydrophobicContact CD1-CG2 4.19Å; I93-V159 HydrophobicContact CG2-CG2 3.94Å; Y133-V159 HydrophobicContact CD1-CG1 4.09Å; Y133-V159 HydrophobicContact CD1-CG2 4.28Å; Y133-V159 HydrophobicContact CE1-CG1 3.86Å; Y133-V159 HydrophobicContact CE1-CG2 4.11Å; I156-V159 HydrophobicContact CG2-CG2 4.29Å; V159-F161 HydrophobicContact CB-CE2 4.3Å; V159-F161 HydrophobicContact CB-CZ 4.35Å; V159-F161 HydrophobicContact CG1-CD2 4.49Å; V159-F161 HydrophobicContact CG1-CE1 3.95Å; V159-F161 HydrophobicContact CG1-CE2 3.75Å; V159-F161 HydrophobicContact CG1-CZ 3.44Å; V159-F161 VanDerWaalsContact CG1-CZ 3.44Å; V159-I190 PolarHBondContact N-O 2.75Å; V159-A191 HydrophobicContact CB-CB 4.36Å; V159-A191 CarbonylContact O-C 3.54Å; V159-A191 WeakPolarHBondContact O-CA 3.42Å; V159-G192 PolarHBondContact O-N 2.82Å
160	L	98.1	Very high	79.5	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.8	177.7	-177.3	74.2	0	0	0	110	V51 R52 V53 V54 L76 F158 V162 G192 I194 L218 T221	V51-L160 HydrophobicContact CG1-CB 4.02Å; R52-L160 PolarHBondContact O-N 3.12Å; V53-L160 CarbonylContact C-O 3.52Å; V53-L160 WeakPolarHBondContact CA-O 3.01Å; V53-L160 HydrophobicContact CG2-CD2 4.42Å; V54-L160 PolarHBondContact N-O 2.97Å; L76-L160 HydrophobicContact CD1-CD2 4.13Å; L76-L160 HydrophobicContact CD2-CD2 4.39Å; F158-L160 HydrophobicContact CD1-CB 4.26Å; F158-L160 HydrophobicContact CE1-CB 4.12Å; F158-L160 HydrophobicContact CE1-CD1 4.16Å; L160-V162 HydrophobicContact CD2-CG2 3.63Å; L160-V162 HydrophobicContact CG-CG2 3.72Å; L160-G192 WeakPolarHBondContact CA-O 3.34Å; L160-I194 HydrophobicContact CD1-CD1 3.92Å; L160-I194 HydrophobicContact CD1-CG1 4.02Å; L160-I194 HydrophobicContact CD2-CD1 4.4Å; L160-L218 HydrophobicContact CD1-CD2 3.94Å; L160-L218 HydrophobicContact CD2-CD2 3.67Å; L160-L218 HydrophobicContact CG-CD2 4.42Å; L160-T221 HydrophobicContact CD1-CG2 4.02Å
161	F	97.2	Very high	80.3	Confident	0 Å²	0	71 Å²	71	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.2	170.6	-56.7	-79.8	0	0	0	109.4	V54 I95 F127 I129 Y133 V159 A191 G192 S193 I194	V54-F161 HydrophobicContact CB-CD1 3.74Å; V54-F161 HydrophobicContact CB-CE1 4.05Å; V54-F161 HydrophobicContact CG1-CD1 4.1Å; V54-F161 HydrophobicContact CG1-CE1 4.34Å; V54-F161 HydrophobicContact CG2-CD1 4.11Å; V54-F161 HydrophobicContact CG2-CE1 3.93Å; V54-F161 WeakPolarHBondContact O-CA 3.38Å; I95-F161 HydrophobicContact CD1-CD2 4.45Å; I95-F161 HydrophobicContact CD1-CE2 3.36Å; I95-F161 HydrophobicContact CD1-CZ 3.67Å; F127-F161 HydrophobicContact CB-CB 4.25Å; F127-F161 HydrophobicContact CD1-CB 3.73Å; F127-F161 AromaticContact CD1-CD1 3.87Å; F127-F161 HydrophobicContact CD1-CD1 3.87Å; F127-F161 AromaticContact CD1-CG 4Å; F127-F161 HydrophobicContact CD1-CG 4Å; F127-F161 HydrophobicContact CD2-CB 3.66Å; F127-F161 HydrophobicContact CE1-CB 3.98Å; F127-F161 AromaticContact CE1-CD1 3.57Å; F127-F161 HydrophobicContact CE1-CD1 3.57Å; F127-F161 HydrophobicContact CE1-CG 4.11Å; F127-F161 HydrophobicContact CE2-CB 3.9Å; F127-F161 HydrophobicContact CG-CB 3.6Å; F127-F161 HydrophobicContact CG-CG 4.35Å; F127-F161 HydrophobicContact CZ-CB 4.07Å; F127-F161 HydrophobicContact CZ-CD1 4.04Å; I129-F161 HydrophobicContact CD1-CD1 4.04Å; I129-F161 HydrophobicContact CD1-CD2 3.65Å; I129-F161 HydrophobicContact CD1-CE1 4.09Å; I129-F161 HydrophobicContact CD1-CE2 3.72Å; I129-F161 HydrophobicContact CD1-CG 3.82Å; I129-F161 HydrophobicContact CD1-CZ 3.93Å; I129-F161 HydrophobicContact CG2-CE1 4.36Å; I129-F161 HydrophobicContact CG2-CZ 4.1Å; Y133-F161 AromaticContact CD2-CE1 3.93Å; Y133-F161 HydrophobicContact CD2-CE1 3.93Å; Y133-F161 HydrophobicContact CD2-CZ 4.23Å; Y133-F161 HydrophobicContact CE2-CE1 4.35Å; Y133-F161 HydrophobicContact CG-CE1 4.24Å; Y133-F161 HydrophobicContact CG-CZ 4.06Å; V159-F161 HydrophobicContact CB-CE2 4.3Å; V159-F161 HydrophobicContact CB-CZ 4.35Å; V159-F161 HydrophobicContact CG1-CD2 4.49Å; V159-F161 HydrophobicContact CG1-CE1 3.95Å; V159-F161 HydrophobicContact CG1-CE2 3.75Å; V159-F161 HydrophobicContact CG1-CZ 3.44Å; V159-F161 VanDerWaalsContact CG1-CZ 3.44Å; F161-A191 HydrophobicContact CE2-CB 4.27Å; F161-G192 WeakPolarHBondContact CD2-O 3.48Å; F161-G192 PolarHBondContact N-O 3.24Å; F161-S193 CarbonylContact O-C 3.59Å; F161-S193 WeakPolarHBondContact O-CA 3.03Å; F161-I194 PolarHBondContact O-N 2.94Å
162	V	95.8	Very high	81.1	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.018	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	124.7	-179.9	-170.1	0	0	0	0	109.4	V53 V54 L55 S56 L59 F68 F127 L160 I194 I196	V53-V162 HydrophobicContact CG1-CG2 4.2Å; V54-V162 PolarHBondContact O-N 2.93Å; L55-V162 WeakPolarHBondContact CA-O 3.35Å; L55-V162 HydrophobicContact CD2-CB 3.64Å; L55-V162 HydrophobicContact CD2-CG1 4.32Å; L55-V162 HydrophobicContact CD2-CG2 4.1Å; S56-V162 PolarHBondContact N-O 2.64Å; L59-V162 HydrophobicContact CD1-CG1 4.23Å; L59-V162 WeakPolarHBondContact CD1-O 2.89Å; F68-V162 HydrophobicContact CE1-CG1 4.29Å; F68-V162 HydrophobicContact CZ-CG1 3.85Å; F127-V162 WeakPolarHBondContact CE2-O 3.49Å; L160-V162 HydrophobicContact CD2-CG2 3.63Å; L160-V162 HydrophobicContact CG-CG2 3.72Å; V162-I194 WeakPolarHBondContact CA-O 3.29Å; V162-I194 HydrophobicContact CG1-CB 4.4Å; V162-I196 HydrophobicContact CG1-CG1 4.06Å
163	R	92.4	Very high	82	Confident	44 Å²	44	63 Å²	63	17%	0.166	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	164	174.6	68.2	-176.6	-149.8	109.6	-0.1	112.2	S56 G126 F127 H165 I194 V195 I196	S56-R163 VanDerWaalsContact OG-CA 3.23Å; S56-R163 WeakPolarHBondContact OG-CA 2.96Å; S56-R163 VanDerWaalsContact OG-CB 3.3Å; S56-R163 WeakPolarHBondContact OG-CB 2.96Å; G126-R163 VanDerWaalsContact C-NE 3.34Å; G126-R163 VanDerWaalsContact O-CD 3.24Å; G126-R163 WeakPolarHBondContact O-CD 3.43Å; G126-R163 VanDerWaalsContact O-CZ 3.31Å; G126-R163 PolarHBondContact O-NE 3.19Å; G126-R163 VanDerWaalsContact O-NE 3.14Å; F127-R163 HydrophobicContact CD2-CB 3.66Å; F127-R163 HydrophobicContact CD2-CG 4.08Å; F127-R163 HydrophobicContact CE2-CB 4.07Å; R163-H165 PolarHBondContact NH1-CD2 2.86Å; R163-H165 PolarHBondContact NH2-CD2 2.72Å; R163-H165 VanDerWaalsContact NH2-CG 3.29Å; R163-I194 PolarHBondContact N-O 2.84Å; R163-V195 HydrophobicContact CG-CB 4.3Å; R163-V195 HydrophobicContact CG-CG1 4.12Å; R163-V195 HydrophobicContact CG-CG2 3.9Å; R163-I196 PolarHBondContact O-N 2.93Å
164	S	88.7	Confident	82.9	Confident	18 Å²	18	54.7 Å²	54.7	13%	0.126	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	144.4	165.3	-161.3	0	0	0	0	109.7	D58 I196 M200	D58-S164 WeakPolarHBondContact OD2-CB 3.45Å; D58-S164 PolarHBondContact OD2-N 2.82Å; D58-S164 VanDerWaalsContact OD2-O 3.13Å; S164-I196 WeakPolarHBondContact CA-O 3.44Å; S164-M200 WeakPolarHBondContact OG-CE 3.22Å
165	H	81.5	Confident	83.9	Confident	69 Å²	69	54.5 Å²	54.5	32%	0.319	30%	0.303	S	S	.	.			trans	-148.2	125.8	168.7	-159.5	-102.4	0	0	0	111.4	R163 A167 V195 I196 C197	R163-H165 PolarHBondContact NH1-CD2 2.86Å; R163-H165 PolarHBondContact NH2-CD2 2.72Å; R163-H165 VanDerWaalsContact NH2-CG 3.29Å; H165-A167 VanDerWaalsContact C-N 3.31Å; H165-A167 PolarHBondContact CE1-O 3.08Å; H165-A167 VanDerWaalsContact CE1-O 3.27Å; H165-A167 VanDerWaalsContact ND1-C 3.3Å; H165-A167 PolarHBondContact ND1-N 2.85Å; H165-A167 PolarHBondContact ND1-O 3.43Å; H165-A167 PolarHBondContact O-N 3.46Å; H165-V195 HydrophobicContact CB-CG1 3.57Å; H165-I196 PolarHBondContact N-O 3.06Å; H165-C197 WeakPolarHBondContact O-CA 3.42Å
166	N	65.2	Low	84.2	Confident	157 Å²	157	51.7 Å²	51.7	84%	0.84	29%	0.29	S	S	*	.	S	Bend	trans	-74.5	-23.7	-176.8	-66.9	-10.8	0	0	0	112.8
167	A	63.1	Low	84.2	Confident	72 Å²	72	51.4 Å²	51.4	60%	0.595	29%	0.292	S	S	*	.			trans	-112.7	77.3	-177.8	0	0	0	0	0	111	H165	H165-A167 VanDerWaalsContact C-N 3.31Å; H165-A167 PolarHBondContact CE1-O 3.08Å; H165-A167 VanDerWaalsContact CE1-O 3.27Å; H165-A167 VanDerWaalsContact ND1-C 3.3Å; H165-A167 PolarHBondContact ND1-N 2.85Å; H165-A167 PolarHBondContact ND1-O 3.43Å; H165-A167 PolarHBondContact O-N 3.46Å
168	C	76.2	Confident	84.3	Confident	25 Å²	25	55 Å²	55	17%	0.169	31%	0.311	C	S	.	.			trans	-79.7	162.5	162.2	-64.7	0	0	0	0	109.4	S170 T173 C197	C168-S170 PolarHBondContact O-N 2.98Å; C168-T173 HydrophobicContact CB-CG2 4.26Å; C168-C197 HydrophobicContact CB-CB 3.69Å; C168-C197 WeakPolarHBondContact CB-SG 3.48Å; C168-C197 WeakPolarHBondContact SG-CB 3.4Å; C168-C197 CovalentContact SG-SG 2.01Å; C168-C197 PolarHBondContact SG-SG 2.69Å
169	I	69	Low	84.2	Confident	189 Å²	189	56.2 Å²	56.2	97%	0.969	32%	0.318	S	S	*	.	S	Bend	trans	-52.3	-32.9	-170.4	-60.8	170.8	0	0	0	112.5
170	S	69.2	Low	84.2	Confident	50 Å²	50	57.1 Å²	57.1	35%	0.35	32%	0.324	S	S	.	.	S	Bend	trans	-123.8	139.2	169.4	174.4	0	0	0	0	110.9	C168 S172 T173	C168-S170 PolarHBondContact O-N 2.98Å; S170-S172 PolarHBondContact O-N 3.49Å; S170-S172 VanDerWaalsContact O-N 3.14Å; S170-S172 PolarHBondContact OG-N 3.44Å; S170-S172 PolarHBondContact OG-OG 3.4Å; S170-T173 WeakPolarHBondContact CB-OG1 3.38Å; S170-T173 PolarHBondContact N-OG1 3.37Å; S170-T173 WeakPolarHBondContact O-CB 3.42Å; S170-T173 PolarHBondContact O-N 3.41Å; S170-T173 PolarHBondContact O-OG1 3.31Å
171	E	65.7	Low	84	Confident	189 Å²	189	58.6 Å²	58.6	88%	0.883	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.7	171.5	-65.9	-168.7	164.1	0	0	113.2	T173	E171-T173 VanDerWaalsContact C-N 3.31Å
172	S	74.7	Confident	83.6	Confident	94 Å²	94	61.5 Å²	61.5	66%	0.657	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.6	176.4	70.2	0	0	0	0	113.6	S170 M174	S170-S172 PolarHBondContact O-N 3.49Å; S170-S172 VanDerWaalsContact O-N 3.14Å; S170-S172 PolarHBondContact OG-N 3.44Å; S170-S172 PolarHBondContact OG-OG 3.4Å; S172-M174 PolarHBondContact O-N 3.02Å
173	T	83.2	Confident	83.2	Confident	35 Å²	35	63.1 Å²	63.1	22%	0.215	35%	0.353	C	S	.	.			trans	-66.2	125.2	179.7	-45.6	0	0	0	0	109.2	C168 S170 E171 A175 T176 C197 S198	C168-T173 HydrophobicContact CB-CG2 4.26Å; S170-T173 WeakPolarHBondContact CB-OG1 3.38Å; S170-T173 PolarHBondContact N-OG1 3.37Å; S170-T173 WeakPolarHBondContact O-CB 3.42Å; S170-T173 PolarHBondContact O-N 3.41Å; S170-T173 PolarHBondContact O-OG1 3.31Å; E171-T173 VanDerWaalsContact C-N 3.31Å; T173-A175 VanDerWaalsContact CG2-O 3.3Å; T173-A175 WeakPolarHBondContact CG2-O 3.34Å; T173-T176 HydrophobicContact CG2-CG2 3.69Å; T173-C197 WeakPolarHBondContact O-CB 3.42Å; T173-S198 WeakPolarHBondContact O-CB 3.28Å; T173-S198 PolarHBondContact O-N 3.38Å; T173-S198 PolarHBondContact O-OG 2.99Å
174	M	87.9	Confident	82.8	Confident	59 Å²	59	65.2 Å²	65.2	29%	0.291	37%	0.366	S	S	.	.			trans	-85.7	-44.2	-179.8	-73	-168.1	-176.2	0	0	111.7	S172 C197 A199 Y202 I213	S172-M174 PolarHBondContact O-N 3.02Å; M174-C197 CarbonylContact O-C 3.27Å; M174-C197 WeakPolarHBondContact O-CA 3.35Å; M174-C197 VanDerWaalsContact O-CB 3.31Å; M174-C197 WeakPolarHBondContact O-CB 3.18Å; M174-C197 PolarHBondContact O-N 3.26Å; M174-A199 HydrophobicContact CB-CB 4.16Å; M174-A199 WeakPolarHBondContact O-CB 3.41Å; M174-A199 PolarHBondContact O-N 3.25Å; M174-A199 VanDerWaalsContact O-N 3.14Å; M174-Y202 HydrophobicContact CE-CE2 4.4Å; M174-Y202 HydrophobicContact SD-CE2 4.43Å; M174-I213 HydrophobicContact CB-CD1 4.08Å; M174-I213 HydrophobicContact CB-CG1 4.48Å; M174-I213 HydrophobicContact CB-CG2 4.23Å; M174-I213 HydrophobicContact CG-CD1 4.33Å; M174-I213 HydrophobicContact SD-CD1 3.52Å; M174-I213 VanDerWaalsContact SD-CD1 3.52Å; M174-I213 HydrophobicContact SD-CG1 4.07Å
175	A	91.3	Very high	82.4	Confident	8 Å²	8	69 Å²	69	7%	0.066	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	169.9	172.1	0	0	0	0	0	109.4	T173 V195 I196 I213 E217	T173-A175 VanDerWaalsContact CG2-O 3.3Å; T173-A175 WeakPolarHBondContact CG2-O 3.34Å; A175-V195 CarbonylContact C-O 3.34Å; A175-V195 WeakPolarHBondContact CA-O 3.44Å; A175-V195 VanDerWaalsContact CB-O 3.27Å; A175-V195 WeakPolarHBondContact CB-O 3.44Å; A175-I196 HydrophobicContact CB-CD1 4.34Å; A175-I213 HydrophobicContact CB-CG2 3.61Å; A175-E217 HydrophobicContact CB-CG 3.55Å
176	T	92	Very high	82.5	Confident	44 Å²	44	67.4 Å²	67.4	27%	0.27	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	153.2	167.8	67.6	0	0	0	0	109.8	N125 T173 I194 V195 E217	N125-T176 PolarHBondContact ND2-O 3.47Å; N125-T176 PolarHBondContact ND2-OG1 2.82Å; N125-T176 PolarHBondContact OD1-OG1 3.24Å; T173-T176 HydrophobicContact CG2-CG2 3.69Å; T176-I194 CarbonylContact O-C 3.57Å; T176-I194 VanDerWaalsContact O-CA 3.31Å; T176-I194 WeakPolarHBondContact O-CA 3.43Å; T176-V195 PolarHBondContact N-O 2.92Å; T176-V195 PolarHBondContact O-N 3.33Å; T176-E217 VanDerWaalsContact C-OE2 3.23Å
177	A	93.3	Very high	83.5	Confident	21 Å²	21	60.6 Å²	60.6	17%	0.174	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	154.7	175.8	0	0	0	0	0	111.8	S193 I194 E217 H220 T221	A177-S193 CarbonylContact C-O 3.58Å; A177-S193 VanDerWaalsContact CA-O 3.25Å; A177-S193 WeakPolarHBondContact CA-O 3.42Å; A177-I194 HydrophobicContact CB-CG1 4.3Å; A177-E217 HydrophobicContact CB-CB 3.96Å; A177-E217 WeakPolarHBondContact CB-O 3.4Å; A177-E217 WeakPolarHBondContact CB-OE2 2.99Å; A177-E217 PolarHBondContact N-OE2 3.26Å; A177-H220 HydrophobicContact CB-CB 3.73Å; A177-T221 HydrophobicContact CB-CG2 3.87Å
178	D	93.1	Very high	84.6	Confident	75 Å²	75	59.6 Å²	59.6	40%	0.401	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	159	171.8	-154.7	-11.3	0	0	0	111	N125 G192 S193	N125-D178 HydrophobicContact CB-CB 3.78Å; D178-G192 CarbonylContact O-C 3.58Å; D178-G192 WeakPolarHBondContact O-CA 3.28Å; D178-S193 PolarHBondContact N-O 3.24Å; D178-S193 PolarHBondContact O-N 3Å
179	T	94.2	Very high	85.4	Confident	25 Å²	25	59 Å²	59	15%	0.153	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.1	171.5	-66.6	0	0	0	0	109.7	K182 P189 L228	T179-K182 HydrophobicContact CG2-CG 4.16Å; T179-P189 HydrophobicContact CG2-CB 3.8Å; T179-P189 HydrophobicContact CG2-CG 4.1Å; T179-L228 HydrophobicContact CG2-CD1 4.29Å; T179-L228 WeakPolarHBondContact OG1-CD1 3.5Å
180	C	95.8	Very high	86.6	Confident	22 Å²	22	50.7 Å²	50.7	15%	0.149	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-31.7	-177.5	-54.7	0	0	0	0	113.2	I95 C124 A191 G192 S193	I95-C180 HydrophobicContact CD1-CB 4.29Å; C124-C180 HydrophobicContact CB-CB 3.75Å; C124-C180 WeakPolarHBondContact CB-SG 3.29Å; C124-C180 WeakPolarHBondContact SG-CA 3.45Å; C124-C180 WeakPolarHBondContact SG-CB 3.37Å; C124-C180 CovalentContact SG-SG 2.03Å; C124-C180 PolarHBondContact SG-SG 2.98Å; C180-A191 HydrophobicContact CB-CB 4.02Å; C180-A191 PolarHBondContact N-O 3.39Å; C180-G192 VanDerWaalsContact SG-C 3.59Å; C180-S193 PolarHBondContact SG-OG 3.43Å
181	E	94.9	Very high	87.9	Confident	31 Å²	31	48.3 Å²	48.3	15%	0.145	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	146.7	-175.4	-166.9	59.2	-85.4	0	0	112	I95 E96 I190 A191	I95-E181 WeakPolarHBondContact CA-OE2 3.36Å; I95-E181 HydrophobicContact CG1-CB 4.15Å; I95-E181 HydrophobicContact CG2-CB 4.27Å; E96-E181 PolarHBondContact N-OE2 3.3Å; E181-I190 HydrophobicContact CB-CG1 4.05Å; E181-I190 HydrophobicContact CG-CD1 3.96Å; E181-I190 HydrophobicContact CG-CG1 3.95Å; E181-I190 WeakPolarHBondContact O-CG1 3.47Å; E181-I190 PolarHBondContact O-N 3.01Å; E181-A191 HydrophobicContact CB-CB 3.89Å; E181-A191 PolarHBondContact N-O 3.32Å; E181-A191 PolarHBondContact O-N 3.5Å
182	K	89.2	Confident	89.4	Confident	62 Å²	62	39.3 Å²	39.3	27%	0.27	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146	176.3	-58.9	-177.3	-66.7	-68.2	0	110.3	T179 L184 R188 L228 Y231	T179-K182 HydrophobicContact CG2-CG 4.16Å; K182-L184 PolarHBondContact O-N 2.9Å; K182-R188 CarbonylContact C-O 3.48Å; K182-R188 WeakPolarHBondContact CA-O 3.06Å; K182-L228 HydrophobicContact CD-CD2 3.62Å; K182-L228 HydrophobicContact CG-CD2 4.45Å; K182-Y231 HydrophobicContact CD-CG 4.47Å
183	D	86.7	Confident	90.4	Very high	37 Å²	37	34.9 Å²	34.9	20%	0.198	19%	0.188	C	C	.	.			trans	-71	122.7	171	178	-99.6	0	0	0	110.3	D185 T186 D187 R188 I190	D183-D185 PolarHBondContact O-N 3.43Å; D183-D185 VanDerWaalsContact O-N 3.15Å; D183-D185 PolarHBondContact OD1-N 2.78Å; D183-T186 WeakPolarHBondContact CB-OG1 3.26Å; D183-T186 VanDerWaalsContact CG-OG1 3.32Å; D183-T186 PolarHBondContact O-N 2.99Å; D183-T186 WeakPolarHBondContact OD1-CB 3.49Å; D183-T186 WeakPolarHBondContact OD1-CG2 3.44Å; D183-T186 PolarHBondContact OD1-N 2.82Å; D183-T186 PolarHBondContact OD1-OG1 2.76Å; D183-D187 WeakPolarHBondContact O-CA 3.41Å; D183-D187 PolarHBondContact O-N 3.12Å; D183-R188 PolarHBondContact N-O 2.88Å; D183-I190 HydrophobicContact CB-CD1 4.26Å; D183-I190 HydrophobicContact CB-CG2 3.79Å
184	L	83.6	Confident	91	Very high	87 Å²	87	33.2 Å²	33.2	46%	0.455	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.4	-175.2	-70.7	171.1	0	0	0	114.5	Y111 K182	Y111-L184 HydrophobicContact CD1-CD1 4.18Å; Y111-L184 HydrophobicContact CE1-CD1 3.66Å; K182-L184 PolarHBondContact O-N 2.9Å
185	D	80.5	Confident	91.3	Very high	99 Å²	99	30.6 Å²	30.6	53%	0.529	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-38.6	-178.2	-67.6	-29.8	0	0	0	111.7	D183 R233	D183-D185 PolarHBondContact O-N 3.43Å; D183-D185 VanDerWaalsContact O-N 3.15Å; D183-D185 PolarHBondContact OD1-N 2.78Å; D185-R233 PolarHBondContact O-NH2 3.25Å
186	T	83.1	Confident	91.3	Very high	34 Å²	34	30.2 Å²	30.2	21%	0.209	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-8.2	-172.3	63.1	0	0	0	0	114.3	K87 D183 R188 R233	K87-T186 HydrophobicContact CB-CG2 4.46Å; K87-T186 HydrophobicContact CD-CG2 3.76Å; D183-T186 WeakPolarHBondContact CB-OG1 3.26Å; D183-T186 VanDerWaalsContact CG-OG1 3.32Å; D183-T186 PolarHBondContact O-N 2.99Å; D183-T186 WeakPolarHBondContact OD1-CB 3.49Å; D183-T186 WeakPolarHBondContact OD1-CG2 3.44Å; D183-T186 PolarHBondContact OD1-N 2.82Å; D183-T186 PolarHBondContact OD1-OG1 2.76Å; T186-R188 PolarHBondContact O-N 2.92Å; T186-R188 WeakPolarHBondContact OG1-CB 3.48Å; T186-R188 PolarHBondContact OG1-N 3.46Å; T186-R233 VanDerWaalsContact O-CD 3.23Å; T186-R233 WeakPolarHBondContact O-CD 3.26Å; T186-R233 PolarHBondContact O-NE 2.9Å; T186-R233 VanDerWaalsContact O-NE 3.08Å
187	D	86.6	Confident	91.3	Very high	15 Å²	15	28.3 Å²	28.3	8%	0.08	15%	0.151	C	C	.	.			trans	57.4	5.6	-170.3	-51.8	-53.9	0	0	0	115.4	D183 Y231 R233 R243	D183-D187 WeakPolarHBondContact O-CA 3.41Å; D183-D187 PolarHBondContact O-N 3.12Å; D187-Y231 HydrophobicContact CB-CD1 3.94Å; D187-Y231 HydrophobicContact CB-CG 4.38Å; D187-R233 IonicContact OD1-NH2 3.88Å; D187-R233 IonicContact OD2-CZ 3.13Å; D187-R233 IonicContact OD2-NE 2.83Å; D187-R233 PolarHBondContact OD2-NE 3.03Å; D187-R233 IonicContact OD2-NH2 2.69Å; D187-R233 PolarHBondContact OD2-NH2 2.89Å; D187-R243 IonicContact OD2-CZ 3.48Å; D187-R243 IonicContact OD2-NE 3.4Å; D187-R243 PolarHBondContact OD2-NE 3.14Å; D187-R243 IonicContact OD2-NH2 2.72Å; D187-R243 PolarHBondContact OD2-NH2 2.71Å
188	R	86.8	Confident	91	Very high	51 Å²	51	28.7 Å²	28.7	19%	0.192	15%	0.152	C	C	.	.			trans	-69.4	134.7	-176.9	-172.5	-179.4	63.2	88.4	-6.4	109.7	D157 K182 D183 T186 I190	D157-R188 VanDerWaalsContact O-CZ 3.31Å; D157-R188 PolarHBondContact O-NH1 2.88Å; D157-R188 PolarHBondContact O-NH2 3.33Å; K182-R188 CarbonylContact C-O 3.48Å; K182-R188 WeakPolarHBondContact CA-O 3.06Å; D183-R188 PolarHBondContact N-O 2.88Å; T186-R188 PolarHBondContact O-N 2.92Å; T186-R188 WeakPolarHBondContact OG1-CB 3.48Å; T186-R188 PolarHBondContact OG1-N 3.46Å; R188-I190 PolarHBondContact O-N 2.84Å
189	P	92.8	Very high	90.7	Very high	13 Å²	13	25.1 Å²	25.1	8%	0.084	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	126.8	164.4	-29.5	38.6	0	0	0	111.2	F158 T179 T221 L228	F158-P189 WeakPolarHBondContact CD2-O 3.17Å; F158-P189 HydrophobicContact CE2-CB 3.98Å; T179-P189 HydrophobicContact CG2-CB 3.8Å; T179-P189 HydrophobicContact CG2-CG 4.1Å; P189-T221 WeakPolarHBondContact CB-O 3.26Å; P189-L228 HydrophobicContact CG-CD1 4.04Å
190	I	93.5	Very high	90.3	Very high	13 Å²	13	25.1 Å²	25.1	7%	0.067	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	-14.4	178.4	56.7	175.5	0	0	0	112.6	I93 F158 V159 E181 D183 R188	I93-I190 HydrophobicContact CD1-CB 4.09Å; I93-I190 HydrophobicContact CG1-CB 4.27Å; I93-I190 HydrophobicContact CG1-CD1 4.45Å; I93-I190 HydrophobicContact CG2-CB 4.25Å; I93-I190 HydrophobicContact CG2-CD1 4.05Å; I93-I190 HydrophobicContact CG2-CG1 4.13Å; F158-I190 CarbonylContact C-O 3.53Å; F158-I190 VanDerWaalsContact CA-O 3.29Å; F158-I190 WeakPolarHBondContact CA-O 3.34Å; V159-I190 PolarHBondContact N-O 2.75Å; E181-I190 HydrophobicContact CB-CG1 4.05Å; E181-I190 HydrophobicContact CG-CD1 3.96Å; E181-I190 HydrophobicContact CG-CG1 3.95Å; E181-I190 WeakPolarHBondContact O-CG1 3.47Å; E181-I190 PolarHBondContact O-N 3.01Å; D183-I190 HydrophobicContact CB-CD1 4.26Å; D183-I190 HydrophobicContact CB-CG2 3.79Å; R188-I190 PolarHBondContact O-N 2.84Å
191	A	97	Very high	89.7	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	147.7	167.3	0	0	0	0	0	110.6	I95 F158 V159 F161 C180 E181	I95-A191 HydrophobicContact CD1-CB 3.85Å; I95-A191 HydrophobicContact CG1-CB 4.09Å; F158-A191 VanDerWaalsContact CZ-C 3.46Å; V159-A191 HydrophobicContact CB-CB 4.36Å; V159-A191 CarbonylContact O-C 3.54Å; V159-A191 WeakPolarHBondContact O-CA 3.42Å; F161-A191 HydrophobicContact CE2-CB 4.27Å; C180-A191 HydrophobicContact CB-CB 4.02Å; C180-A191 PolarHBondContact N-O 3.39Å; E181-A191 HydrophobicContact CB-CB 3.89Å; E181-A191 PolarHBondContact N-O 3.32Å; E181-A191 PolarHBondContact O-N 3.5Å
192	G	97.4	Very high	89	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	166.6	176.7	0	0	0	0	0	111	F158 V159 L160 F161 D178 C180	F158-G192 VanDerWaalsContact CZ-N 3.27Å; V159-G192 PolarHBondContact O-N 2.82Å; L160-G192 WeakPolarHBondContact CA-O 3.34Å; F161-G192 WeakPolarHBondContact CD2-O 3.48Å; F161-G192 PolarHBondContact N-O 3.24Å; D178-G192 CarbonylContact O-C 3.58Å; D178-G192 WeakPolarHBondContact O-CA 3.28Å; C180-G192 VanDerWaalsContact SG-C 3.59Å
193	S	96.6	Very high	88.8	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.007	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	138.8	-174.4	52.9	0	0	0	0	111.1	C124 N125 F161 A177 D178 C180	C124-S193 PolarHBondContact SG-OG 2.92Å; N125-S193 WeakPolarHBondContact CB-OG 3.5Å; N125-S193 PolarHBondContact ND2-O 3.16Å; F161-S193 CarbonylContact O-C 3.59Å; F161-S193 WeakPolarHBondContact O-CA 3.03Å; A177-S193 CarbonylContact C-O 3.58Å; A177-S193 VanDerWaalsContact CA-O 3.25Å; A177-S193 WeakPolarHBondContact CA-O 3.42Å; D178-S193 PolarHBondContact N-O 3.24Å; D178-S193 PolarHBondContact O-N 3Å; C180-S193 PolarHBondContact SG-OG 3.43Å
194	I	95.7	Very high	88.4	Confident	1 Å²	1	30 Å²	30	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.6	173.4	-61.3	173.9	0	0	0	109.1	L160 F161 V162 R163 T176 A177 I196 E217 L218 T221	L160-I194 HydrophobicContact CD1-CD1 3.92Å; L160-I194 HydrophobicContact CD1-CG1 4.02Å; L160-I194 HydrophobicContact CD2-CD1 4.4Å; F161-I194 PolarHBondContact O-N 2.94Å; V162-I194 WeakPolarHBondContact CA-O 3.29Å; V162-I194 HydrophobicContact CG1-CB 4.4Å; R163-I194 PolarHBondContact N-O 2.84Å; T176-I194 CarbonylContact O-C 3.57Å; T176-I194 VanDerWaalsContact O-CA 3.31Å; T176-I194 WeakPolarHBondContact O-CA 3.43Å; A177-I194 HydrophobicContact CB-CG1 4.3Å; I194-I196 HydrophobicContact CG2-CD1 3.61Å; I194-I196 HydrophobicContact CG2-CG1 4.43Å; I194-E217 HydrophobicContact CD1-CB 3.66Å; I194-E217 HydrophobicContact CG1-CB 3.87Å; I194-E217 HydrophobicContact CG2-CB 3.97Å; I194-E217 HydrophobicContact CG2-CG 4.08Å; I194-L218 HydrophobicContact CD1-CD2 3.97Å; I194-L218 HydrophobicContact CD1-CG 3.97Å; I194-T221 HydrophobicContact CD1-CG2 4.3Å; I194-T221 HydrophobicContact CG1-CG2 3.81Å
195	V	93.4	Very high	88	Confident	3 Å²	3	26.9 Å²	26.9	2%	0.018	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.2	168.7	-174.7	0	0	0	0	108.3	N125 R163 H165 A175 T176 C197	N125-V195 HydrophobicContact CB-CG2 4.48Å; N125-V195 WeakPolarHBondContact O-CG2 3.3Å; R163-V195 HydrophobicContact CG-CB 4.3Å; R163-V195 HydrophobicContact CG-CG1 4.12Å; R163-V195 HydrophobicContact CG-CG2 3.9Å; H165-V195 HydrophobicContact CB-CG1 3.57Å; A175-V195 CarbonylContact C-O 3.34Å; A175-V195 WeakPolarHBondContact CA-O 3.44Å; A175-V195 VanDerWaalsContact CB-O 3.27Å; A175-V195 WeakPolarHBondContact CB-O 3.44Å; T176-V195 PolarHBondContact N-O 2.92Å; T176-V195 PolarHBondContact O-N 3.33Å; V195-C197 PolarHBondContact O-N 3.13Å
196	I	92.1	Very high	87.7	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	115.4	173.4	-51.6	-62.2	0	0	0	107.9	F68 V162 R163 S164 H165 A175 I194 A199 M200 L210 I214	F68-I196 HydrophobicContact CE2-CG1 3.9Å; F68-I196 HydrophobicContact CZ-CG1 3.91Å; V162-I196 HydrophobicContact CG1-CG1 4.06Å; R163-I196 PolarHBondContact O-N 2.93Å; S164-I196 WeakPolarHBondContact CA-O 3.44Å; H165-I196 PolarHBondContact N-O 3.06Å; A175-I196 HydrophobicContact CB-CD1 4.34Å; I194-I196 HydrophobicContact CG2-CD1 3.61Å; I194-I196 HydrophobicContact CG2-CG1 4.43Å; I196-A199 HydrophobicContact CG2-CB 4.06Å; I196-M200 HydrophobicContact CB-CE 4.1Å; I196-M200 HydrophobicContact CG2-CB 4.12Å; I196-M200 HydrophobicContact CG2-CE 3.8Å; I196-L210 HydrophobicContact CD1-CD1 4.41Å; I196-L210 HydrophobicContact CG2-CD1 3.93Å; I196-I214 HydrophobicContact CD1-CG1 3.96Å
197	C	90.8	Very high	87.5	Confident	4 Å²	4	21.6 Å²	21.6	3%	0.027	11%	0.109	C	C	.	.			trans	-96.1	-122.2	-177.6	-51.6	0	0	0	0	109.7	H165 C168 T173 M174 V195 A199 M200	H165-C197 WeakPolarHBondContact O-CA 3.42Å; C168-C197 HydrophobicContact CB-CB 3.69Å; C168-C197 WeakPolarHBondContact CB-SG 3.48Å; C168-C197 WeakPolarHBondContact SG-CB 3.4Å; C168-C197 CovalentContact SG-SG 2.01Å; C168-C197 PolarHBondContact SG-SG 2.69Å; T173-C197 WeakPolarHBondContact O-CB 3.42Å; M174-C197 CarbonylContact O-C 3.27Å; M174-C197 WeakPolarHBondContact O-CA 3.35Å; M174-C197 VanDerWaalsContact O-CB 3.31Å; M174-C197 WeakPolarHBondContact O-CB 3.18Å; M174-C197 PolarHBondContact O-N 3.26Å; V195-C197 PolarHBondContact O-N 3.13Å; C197-A199 PolarHBondContact O-N 2.77Å; C197-M200 PolarHBondContact O-N 3.42Å
198	S	87.7	Confident	86.9	Confident	30 Å²	30	21.3 Å²	21.3	21%	0.21	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-63	-14.4	177.2	70.6	0	0	0	0	113.6	T173 M200 K201	T173-S198 WeakPolarHBondContact O-CB 3.28Å; T173-S198 PolarHBondContact O-N 3.38Å; T173-S198 PolarHBondContact O-OG 2.99Å; S198-M200 PolarHBondContact O-N 3.43Å; S198-K201 WeakPolarHBondContact O-CD 3.21Å; S198-K201 WeakPolarHBondContact O-CG 3.37Å; S198-K201 PolarHBondContact O-N 2.76Å
199	A	86.3	Confident	86.6	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-63.8	-20.7	178.4	0	0	0	0	0	113.8	M174 I196 C197 K201 Y202 L210 I213	M174-A199 HydrophobicContact CB-CB 4.16Å; M174-A199 WeakPolarHBondContact O-CB 3.41Å; M174-A199 PolarHBondContact O-N 3.25Å; M174-A199 VanDerWaalsContact O-N 3.14Å; I196-A199 HydrophobicContact CG2-CB 4.06Å; C197-A199 PolarHBondContact O-N 2.77Å; A199-K201 PolarHBondContact O-N 2.68Å; A199-K201 VanDerWaalsContact O-N 3.15Å; A199-Y202 HydrophobicContact CB-CD2 4.38Å; A199-Y202 WeakPolarHBondContact O-CB 3.42Å; A199-Y202 WeakPolarHBondContact O-CD2 3.36Å; A199-Y202 PolarHBondContact O-N 3.34Å; A199-L210 HydrophobicContact CB-CD1 3.89Å; A199-I213 HydrophobicContact CB-CD1 3.67Å; A199-I213 HydrophobicContact CB-CG2 4.21Å
200	M	86.6	Confident	86.3	Confident	24 Å²	24	18.6 Å²	18.6	12%	0.118	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-58.4	-28.1	177.1	-167.2	58	72.4	0	0	112.3	L59 F68 S164 I196 C197 S198 Y202 L203	L59-M200 HydrophobicContact CD2-CE 3.32Å; F68-M200 HydrophobicContact CD2-CE 3.78Å; F68-M200 HydrophobicContact CD2-SD 3.97Å; F68-M200 HydrophobicContact CE2-CE 3.71Å; F68-M200 HydrophobicContact CE2-SD 4.4Å; F68-M200 HydrophobicContact CZ-CE 4.45Å; S164-M200 WeakPolarHBondContact OG-CE 3.22Å; I196-M200 HydrophobicContact CB-CE 4.1Å; I196-M200 HydrophobicContact CG2-CB 4.12Å; I196-M200 HydrophobicContact CG2-CE 3.8Å; C197-M200 PolarHBondContact O-N 3.42Å; S198-M200 PolarHBondContact O-N 3.43Å; M200-Y202 PolarHBondContact O-N 3.07Å; M200-Y202 VanDerWaalsContact O-N 3.15Å; M200-L203 WeakPolarHBondContact O-CB 3.34Å; M200-L203 PolarHBondContact O-N 3.22Å; M200-L203 VanDerWaalsContact O-N 3.07Å; M200-L203 HydrophobicContact SD-CB 4.36Å; M200-L203 HydrophobicContact SD-CD2 3.83Å
201	K	83.4	Confident	86	Confident	127 Å²	127	21.2 Å²	21.2	55%	0.552	11%	0.109	S	C	*	.	G	3₁₀ helix	trans	-62.8	-20.1	176.4	79.9	-162.5	171.8	-174.2	0	114	S198 A199 L203 S205	S198-K201 WeakPolarHBondContact O-CD 3.21Å; S198-K201 WeakPolarHBondContact O-CG 3.37Å; S198-K201 PolarHBondContact O-N 2.76Å; A199-K201 PolarHBondContact O-N 2.68Å; A199-K201 VanDerWaalsContact O-N 3.15Å; K201-L203 VanDerWaalsContact C-N 3.33Å; K201-S205 PolarHBondContact O-OG 3.02Å; K201-S205 VanDerWaalsContact O-OG 3.08Å
202	Y	80.3	Confident	85.4	Confident	32 Å²	32	22.7 Å²	22.7	13%	0.125	11%	0.114	C	C	.	.	H	α-helix	trans	-84.3	-9.5	178.3	-60.6	-64.5	0	0	0	113	M174 A199 M200 D204 S205 N206 E209 I213	M174-Y202 HydrophobicContact CE-CE2 4.4Å; M174-Y202 HydrophobicContact SD-CE2 4.43Å; A199-Y202 HydrophobicContact CB-CD2 4.38Å; A199-Y202 WeakPolarHBondContact O-CB 3.42Å; A199-Y202 WeakPolarHBondContact O-CD2 3.36Å; A199-Y202 PolarHBondContact O-N 3.34Å; M200-Y202 PolarHBondContact O-N 3.07Å; M200-Y202 VanDerWaalsContact O-N 3.15Å; Y202-D204 VanDerWaalsContact C-N 3.34Å; Y202-D204 PolarHBondContact O-N 3.11Å; Y202-S205 WeakPolarHBondContact CA-OG 3.43Å; Y202-S205 PolarHBondContact O-N 3.36Å; Y202-N206 CarbonylContact O-C 3.52Å; Y202-N206 WeakPolarHBondContact O-CA 3.22Å; Y202-N206 PolarHBondContact O-N 3.03Å; Y202-N206 VanDerWaalsContact O-O 3.1Å; Y202-E209 HydrophobicContact CD1-CB 4.41Å; Y202-E209 HydrophobicContact CD1-CG 4.27Å; Y202-E209 HydrophobicContact CD2-CG 4.05Å; Y202-E209 HydrophobicContact CE2-CG 4.33Å; Y202-E209 HydrophobicContact CG-CB 4.12Å; Y202-E209 HydrophobicContact CG-CG 4.04Å; Y202-I213 HydrophobicContact CD2-CD1 4.3Å; Y202-I213 HydrophobicContact CE2-CD1 4.48Å
203	L	83.3	Confident	85.1	Confident	3 Å²	3	22.7 Å²	22.7	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-54.5	-49.3	-172	179.4	56.2	0	0	0	112.6	N64 L67 F68 M200 K201 P207 L210	N64-L203 HydrophobicContact CB-CD2 3.53Å; N64-L203 HydrophobicContact CB-CG 4.07Å; L67-L203 HydrophobicContact CB-CD1 4.11Å; L67-L203 HydrophobicContact CD2-CD1 4.07Å; L67-L203 HydrophobicContact CD2-CG 4.23Å; L67-L203 VanDerWaalsContact CD2-O 3.29Å; L67-L203 WeakPolarHBondContact CD2-O 3.24Å; L67-L203 HydrophobicContact CG-CD1 3.75Å; L67-L203 HydrophobicContact CG-CG 4.39Å; F68-L203 HydrophobicContact CB-CD1 3.92Å; F68-L203 HydrophobicContact CB-CD2 3.87Å; M200-L203 WeakPolarHBondContact O-CB 3.34Å; M200-L203 PolarHBondContact O-N 3.22Å; M200-L203 VanDerWaalsContact O-N 3.07Å; M200-L203 HydrophobicContact SD-CB 4.36Å; M200-L203 HydrophobicContact SD-CD2 3.83Å; K201-L203 VanDerWaalsContact C-N 3.33Å; L203-P207 WeakPolarHBondContact O-CB 3.36Å; L203-P207 WeakPolarHBondContact O-CD 3.22Å; L203-L210 HydrophobicContact CB-CD2 4.2Å; L203-L210 HydrophobicContact CD1-CD2 3.72Å
204	D	78.9	Confident	85	Confident	93 Å²	93	22.8 Å²	22.8	50%	0.497	12%	0.115	S	C	.	.	H	α-helix	trans	-86.4	-36	-178.1	-56.9	-26.1	0	0	0	111.9	N64 Y202	N64-D204 WeakPolarHBondContact CB-OD1 3.48Å; N64-D204 PolarHBondContact ND2-OD1 3.43Å; N64-D204 PolarHBondContact ND2-OD2 3.47Å; Y202-D204 VanDerWaalsContact C-N 3.34Å; Y202-D204 PolarHBondContact O-N 3.11Å
205	S	75.3	Confident	84.8	Confident	21 Å²	21	23.6 Å²	23.6	15%	0.147	12%	0.119	C	C	.	.	H	α-helix	trans	-84.5	-39.6	-167.4	66.6	0	0	0	0	112.2	K201 Y202 T439 K451	K201-S205 PolarHBondContact O-OG 3.02Å; K201-S205 VanDerWaalsContact O-OG 3.08Å; Y202-S205 WeakPolarHBondContact CA-OG 3.43Å; Y202-S205 PolarHBondContact O-N 3.36Å; S205-T439 WeakPolarHBondContact CB-OG1 3.16Å; S205-K451 PolarHBondContact O-NZ 2.67Å
206	N	75.1	Confident	84.8	Confident	5 Å²	5	24 Å²	24	3%	0.027	12%	0.121	C	C	.	.			trans	-152.8	75.5	176.6	-170.9	-2.6	0	0	0	111.1	Y202 G208 E209 N441 N448	Y202-N206 CarbonylContact O-C 3.52Å; Y202-N206 WeakPolarHBondContact O-CA 3.22Å; Y202-N206 PolarHBondContact O-N 3.03Å; Y202-N206 VanDerWaalsContact O-O 3.1Å; N206-G208 PolarHBondContact O-N 2.96Å; N206-G208 PolarHBondContact OD1-N 2.91Å; N206-E209 HydrophobicContact CB-CB 4.21Å; N206-E209 VanDerWaalsContact O-CB 3.3Å; N206-E209 WeakPolarHBondContact O-CB 3.2Å; N206-E209 PolarHBondContact O-N 3.32Å; N206-N441 PolarHBondContact ND2-ND2 2.96Å; N206-N448 PolarHBondContact OD1-ND2 3.48Å
207	P	77.9	Confident	84.9	Confident	18 Å²	18	24.6 Å²	24.6	12%	0.117	12%	0.123	C	C	.	.	H	α-helix	trans	-58.1	-23.8	-178.1	18.1	-30.3	0	0	0	113.4	Q71 L203 E209 K211	Q71-P207 HydrophobicContact CG-CB 3.95Å; Q71-P207 PolarHBondContact OE1-O 2.78Å; L203-P207 WeakPolarHBondContact O-CB 3.36Å; L203-P207 WeakPolarHBondContact O-CD 3.22Å; P207-E209 VanDerWaalsContact C-N 3.27Å; P207-E209 PolarHBondContact O-N 3.37Å; P207-K211 WeakPolarHBondContact O-CB 3.17Å; P207-K211 PolarHBondContact O-N 3.2Å
208	G	73.7	Confident	85.1	Confident	9 Å²	9	24.4 Å²	24.4	9%	0.093	12%	0.122	C	C	.	.	H	α-helix	trans	-63	-33.3	174.2	0	0	0	0	0	113.1	N206 R212 N448	N206-G208 PolarHBondContact O-N 2.96Å; N206-G208 PolarHBondContact OD1-N 2.91Å; G208-R212 WeakPolarHBondContact O-CG 3.48Å; G208-R212 PolarHBondContact O-N 2.91Å; G208-R212 VanDerWaalsContact O-N 3.15Å; G208-R212 PolarHBondContact O-NE 2.87Å; G208-N448 PolarHBondContact N-ND2 2.79Å
209	E	81.7	Confident	85.3	Confident	7 Å²	7	23 Å²	23	3%	0.033	11%	0.112	C	C	.	.	H	α-helix	trans	-69.4	-50.3	177.2	-167	65.5	-176.2	0	0	111.7	Y202 N206 P207 K211 R212 I213	Y202-E209 HydrophobicContact CD1-CB 4.41Å; Y202-E209 HydrophobicContact CD1-CG 4.27Å; Y202-E209 HydrophobicContact CD2-CG 4.05Å; Y202-E209 HydrophobicContact CE2-CG 4.33Å; Y202-E209 HydrophobicContact CG-CB 4.12Å; Y202-E209 HydrophobicContact CG-CG 4.04Å; N206-E209 HydrophobicContact CB-CB 4.21Å; N206-E209 VanDerWaalsContact O-CB 3.3Å; N206-E209 WeakPolarHBondContact O-CB 3.2Å; N206-E209 PolarHBondContact O-N 3.32Å; P207-E209 VanDerWaalsContact C-N 3.27Å; P207-E209 PolarHBondContact O-N 3.37Å; E209-K211 PolarHBondContact O-N 2.95Å; E209-R212 WeakPolarHBondContact O-CB 3.11Å; E209-R212 PolarHBondContact O-N 2.88Å; E209-R212 IonicContact OE2-CZ 3.59Å; E209-R212 VanDerWaalsContact OE2-CZ 3.24Å; E209-R212 IonicContact OE2-NE 3.85Å; E209-R212 PolarHBondContact OE2-NE 3.46Å; E209-R212 IonicContact OE2-NH2 2.64Å; E209-R212 PolarHBondContact OE2-NH2 3.24Å; E209-I213 HydrophobicContact CG-CD1 4.18Å; E209-I213 WeakPolarHBondContact O-CG1 3.18Å; E209-I213 PolarHBondContact O-N 2.82Å
210	L	86.8	Confident	85.7	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-55.3	-43.3	174.9	175	62.2	0	0	0	111.2	F68 Q71 I196 A199 L203 R212 I213 I214	F68-L210 HydrophobicContact CD2-CD2 3.76Å; F68-L210 HydrophobicContact CE2-CD2 4.09Å; Q71-L210 HydrophobicContact CG-CD2 4.44Å; I196-L210 HydrophobicContact CD1-CD1 4.41Å; I196-L210 HydrophobicContact CG2-CD1 3.93Å; A199-L210 HydrophobicContact CB-CD1 3.89Å; L203-L210 HydrophobicContact CB-CD2 4.2Å; L203-L210 HydrophobicContact CD1-CD2 3.72Å; L210-R212 VanDerWaalsContact C-N 3.34Å; L210-R212 PolarHBondContact O-N 2.99Å; L210-I213 PolarHBondContact O-N 3.2Å; L210-I214 HydrophobicContact CD1-CD1 4.01Å; L210-I214 HydrophobicContact CD1-CG1 4.26Å; L210-I214 HydrophobicContact CD2-CD1 4.5Å; L210-I214 HydrophobicContact CG-CD1 3.82Å; L210-I214 VanDerWaalsContact O-CG1 3.27Å; L210-I214 WeakPolarHBondContact O-CG1 3.49Å; L210-I214 PolarHBondContact O-N 2.81Å
211	K	86.8	Confident	86.1	Confident	67 Å²	67	22.6 Å²	22.6	29%	0.291	11%	0.11	S	C	.	.	H	α-helix	trans	-59.3	-42.3	176.2	-178.1	-175.3	68.5	-167.1	0	112.4	Q71 D74 A75 P207 E209 I214 I215	Q71-K211 HydrophobicContact CB-CB 4.28Å; D74-K211 HydrophobicContact CB-CD 3.95Å; A75-K211 HydrophobicContact CB-CG 4.16Å; P207-K211 WeakPolarHBondContact O-CB 3.17Å; P207-K211 PolarHBondContact O-N 3.2Å; E209-K211 PolarHBondContact O-N 2.95Å; K211-I214 PolarHBondContact O-N 3.06Å; K211-I215 HydrophobicContact CG-CD1 4.22Å; K211-I215 VanDerWaalsContact O-CG1 3.28Å; K211-I215 WeakPolarHBondContact O-CG1 3.4Å; K211-I215 PolarHBondContact O-N 3.32Å
212	R	84.5	Confident	86.5	Confident	32 Å²	32	17.5 Å²	17.5	12%	0.121	9%	0.088	C	C	.	.	H	α-helix	trans	-63.7	-43.8	178.7	-76.6	177.4	-78.4	-113.1	-5.8	111.8	G208 E209 L210 I214 I215 H216 V338 I340 D446	G208-R212 WeakPolarHBondContact O-CG 3.48Å; G208-R212 PolarHBondContact O-N 2.91Å; G208-R212 VanDerWaalsContact O-N 3.15Å; G208-R212 PolarHBondContact O-NE 2.87Å; E209-R212 WeakPolarHBondContact O-CB 3.11Å; E209-R212 PolarHBondContact O-N 2.88Å; E209-R212 IonicContact OE2-CZ 3.59Å; E209-R212 VanDerWaalsContact OE2-CZ 3.24Å; E209-R212 IonicContact OE2-NE 3.85Å; E209-R212 PolarHBondContact OE2-NE 3.46Å; E209-R212 IonicContact OE2-NH2 2.64Å; E209-R212 PolarHBondContact OE2-NH2 3.24Å; L210-R212 VanDerWaalsContact C-N 3.34Å; L210-R212 PolarHBondContact O-N 2.99Å; R212-I214 VanDerWaalsContact C-N 3.34Å; R212-I214 PolarHBondContact O-N 2.03Å; R212-I215 WeakPolarHBondContact O-CB 3.48Å; R212-I215 PolarHBondContact O-N 2.88Å; R212-I215 VanDerWaalsContact O-N 3.13Å; R212-H216 PolarHBondContact O-N 2.96Å; R212-V338 HydrophobicContact CB-CG1 4.1Å; R212-I340 WeakPolarHBondContact CD-O 3.47Å; R212-I340 PolarHBondContact NE-O 3.34Å; R212-I340 VanDerWaalsContact NE-O 3.07Å; R212-I340 PolarHBondContact NH1-O 3.01Å; R212-D446 IonicContact NH2-OD2 3.7Å
213	I	90.8	Very high	86.9	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.3	-47.3	174.6	-64.7	157.1	0	0	0	109.6	M174 A175 A199 Y202 E209 L210 I215 H216 E217 V338	M174-I213 HydrophobicContact CB-CD1 4.08Å; M174-I213 HydrophobicContact CB-CG1 4.48Å; M174-I213 HydrophobicContact CB-CG2 4.23Å; M174-I213 HydrophobicContact CG-CD1 4.33Å; M174-I213 HydrophobicContact SD-CD1 3.52Å; M174-I213 VanDerWaalsContact SD-CD1 3.52Å; M174-I213 HydrophobicContact SD-CG1 4.07Å; A175-I213 HydrophobicContact CB-CG2 3.61Å; A199-I213 HydrophobicContact CB-CD1 3.67Å; A199-I213 HydrophobicContact CB-CG2 4.21Å; Y202-I213 HydrophobicContact CD2-CD1 4.3Å; Y202-I213 HydrophobicContact CE2-CD1 4.48Å; E209-I213 HydrophobicContact CG-CD1 4.18Å; E209-I213 WeakPolarHBondContact O-CG1 3.18Å; E209-I213 PolarHBondContact O-N 2.82Å; L210-I213 PolarHBondContact O-N 3.2Å; I213-I215 VanDerWaalsContact C-N 3.3Å; I213-I215 PolarHBondContact O-N 3.29Å; I213-H216 WeakPolarHBondContact O-CB 3.34Å; I213-H216 PolarHBondContact O-N 2.81Å; I213-H216 VanDerWaalsContact O-N 3.1Å; I213-E217 HydrophobicContact CG2-CG 4.34Å; I213-E217 WeakPolarHBondContact O-CG 3.14Å; I213-E217 PolarHBondContact O-N 3.21Å; I213-V338 HydrophobicContact CG1-CB 4.48Å; I213-V338 HydrophobicContact CG1-CG1 4.2Å; I213-V338 HydrophobicContact CG1-CG2 4.47Å
214	I	93.6	Very high	87.3	Confident	2 Å²	2	16.1 Å²	16.1	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-60.2	-38.5	175.7	-64.2	161.7	0	0	0	111.7	Q71 V72 A75 I196 L210 K211 R212 H216 L218	Q71-I214 HydrophobicContact CB-CD1 4.36Å; V72-I214 HydrophobicContact CG2-CD1 3.87Å; A75-I214 HydrophobicContact CB-CB 4.03Å; A75-I214 HydrophobicContact CB-CG2 3.57Å; I196-I214 HydrophobicContact CD1-CG1 3.96Å; L210-I214 HydrophobicContact CD1-CD1 4.01Å; L210-I214 HydrophobicContact CD1-CG1 4.26Å; L210-I214 HydrophobicContact CD2-CD1 4.5Å; L210-I214 HydrophobicContact CG-CD1 3.82Å; L210-I214 VanDerWaalsContact O-CG1 3.27Å; L210-I214 WeakPolarHBondContact O-CG1 3.49Å; L210-I214 PolarHBondContact O-N 2.81Å; K211-I214 PolarHBondContact O-N 3.06Å; R212-I214 VanDerWaalsContact C-N 3.34Å; R212-I214 PolarHBondContact O-N 2.03Å; I214-H216 VanDerWaalsContact C-N 3.34Å; I214-L218 HydrophobicContact CG2-CD1 3.93Å; I214-L218 HydrophobicContact CG2-CG 4.24Å; I214-L218 WeakPolarHBondContact O-CB 3.39Å; I214-L218 WeakPolarHBondContact O-CD1 3.15Å; I214-L218 WeakPolarHBondContact O-CG 3.46Å; I214-L218 PolarHBondContact O-N 3.13Å
215	I	91.2	Very high	87.9	Confident	19 Å²	19	12.8 Å²	12.8	10%	0.097	7%	0.066	C	C	.	.	H	α-helix	trans	-62.6	-41.6	176.1	-67.4	168.9	0	0	0	110.9	A75 F78 W79 K211 R212 I213 G219 V333 V344	A75-I215 HydrophobicContact CB-CD1 4.5Å; A75-I215 HydrophobicContact CB-CG1 3.61Å; F78-I215 HydrophobicContact CD1-CG2 4.39Å; W79-I215 HydrophobicContact CZ2-CG2 4.49Å; W79-I215 PolarHBondContact NE1-O 2.78Å; K211-I215 HydrophobicContact CG-CD1 4.22Å; K211-I215 VanDerWaalsContact O-CG1 3.28Å; K211-I215 WeakPolarHBondContact O-CG1 3.4Å; K211-I215 PolarHBondContact O-N 3.32Å; R212-I215 WeakPolarHBondContact O-CB 3.48Å; R212-I215 PolarHBondContact O-N 2.88Å; R212-I215 VanDerWaalsContact O-N 3.13Å; I213-I215 VanDerWaalsContact C-N 3.3Å; I213-I215 PolarHBondContact O-N 3.29Å; I215-G219 PolarHBondContact O-N 3.32Å; I215-V333 HydrophobicContact CB-CG2 4.44Å; I215-V333 HydrophobicContact CG2-CG2 3.82Å; I215-V344 HydrophobicContact CG2-CG2 3.45Å; I215-V344 VanDerWaalsContact CG2-CG2 3.45Å
216	H	93.4	Very high	88.6	Confident	11 Å²	11	13 Å²	13	5%	0.051	6%	0.064	C	C	.	.	H	α-helix	trans	-61.2	-54.4	175.2	171.2	100.5	0	0	0	111.4	R212 I213 I214 L218 G219 H220 H323 V333 S335 V338	R212-H216 PolarHBondContact O-N 2.96Å; I213-H216 WeakPolarHBondContact O-CB 3.34Å; I213-H216 PolarHBondContact O-N 2.81Å; I213-H216 VanDerWaalsContact O-N 3.1Å; I214-H216 VanDerWaalsContact C-N 3.34Å; H216-L218 PolarHBondContact O-N 2.8Å; H216-G219 WeakPolarHBondContact O-CA 2.99Å; H216-G219 PolarHBondContact O-N 3.46Å; H216-H220 AromaticContact CD2-CD2 3.99Å; H216-H220 AromaticContact CD2-NE2 3.93Å; H216-H220 AromaticContact CE1-NE2 3.85Å; H216-H220 AromaticContact NE2-CD2 3.81Å; H216-H220 AromaticContact NE2-NE2 3.29Å; H216-H220 PolarHBondContact NE2-NE2 2.83Å; H216-H220 PolarHBondContact O-N 3.25Å; H216-H323 AromaticContact CE1-CD2 3.59Å; H216-H323 AromaticContact CE1-NE2 3.34Å; H216-H323 PolarHBondContact CE1-NE2 2.93Å; H216-H323 VanDerWaalsContact CE1-NE2 3.34Å; H216-H323 AromaticContact NE2-NE2 3.5Å; H216-V333 HydrophobicContact CB-CG2 4.08Å; H216-V333 PolarHBondContact ND1-O 3.04Å; H216-S335 PolarHBondContact CE1-O 3.24Å; H216-V338 HydrophobicContact CB-CG2 3.91Å
217	E	95.7	Very high	89.3	Confident	13 Å²	13	19 Å²	19	6%	0.061	9%	0.086	C	C	.	.	H	α-helix	trans	-59.4	-35.9	179.9	-64.9	-47.4	150.2	0	0	112.3	A175 T176 A177 I194 I213 G219 H220 T221	A175-E217 HydrophobicContact CB-CG 3.55Å; T176-E217 VanDerWaalsContact C-OE2 3.23Å; A177-E217 HydrophobicContact CB-CB 3.96Å; A177-E217 WeakPolarHBondContact CB-O 3.4Å; A177-E217 WeakPolarHBondContact CB-OE2 2.99Å; A177-E217 PolarHBondContact N-OE2 3.26Å; I194-E217 HydrophobicContact CD1-CB 3.66Å; I194-E217 HydrophobicContact CG1-CB 3.87Å; I194-E217 HydrophobicContact CG2-CB 3.97Å; I194-E217 HydrophobicContact CG2-CG 4.08Å; I213-E217 HydrophobicContact CG2-CG 4.34Å; I213-E217 WeakPolarHBondContact O-CG 3.14Å; I213-E217 PolarHBondContact O-N 3.21Å; E217-G219 VanDerWaalsContact C-N 3.27Å; E217-G219 PolarHBondContact O-N 2.95Å; E217-H220 WeakPolarHBondContact O-CB 2.97Å; E217-H220 PolarHBondContact O-N 3.17Å; E217-H220 IonicContact OE2-CD2 2.97Å; E217-T221 WeakPolarHBondContact O-CG2 3.3Å; E217-T221 PolarHBondContact O-N 3.15Å
218	L	94.7	Very high	89.9	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.5	-36.6	173.3	-77.9	169.7	0	0	0	112.2	A75 L76 W79 L160 I194 I214 H216 H220 T221 F222	A75-L218 HydrophobicContact CB-CD1 3.99Å; L76-L218 HydrophobicContact CD2-CD1 3.82Å; L76-L218 HydrophobicContact CD2-CD2 3.65Å; L76-L218 HydrophobicContact CD2-CG 4.42Å; L76-L218 HydrophobicContact CG-CD1 3.97Å; L76-L218 HydrophobicContact CG-CD2 4.38Å; W79-L218 HydrophobicContact CG-CB 4.49Å; L160-L218 HydrophobicContact CD1-CD2 3.94Å; L160-L218 HydrophobicContact CD2-CD2 3.67Å; L160-L218 HydrophobicContact CG-CD2 4.42Å; I194-L218 HydrophobicContact CD1-CD2 3.97Å; I194-L218 HydrophobicContact CD1-CG 3.97Å; I214-L218 HydrophobicContact CG2-CD1 3.93Å; I214-L218 HydrophobicContact CG2-CG 4.24Å; I214-L218 WeakPolarHBondContact O-CB 3.39Å; I214-L218 WeakPolarHBondContact O-CD1 3.15Å; I214-L218 WeakPolarHBondContact O-CG 3.46Å; I214-L218 PolarHBondContact O-N 3.13Å; H216-L218 PolarHBondContact O-N 2.8Å; L218-H220 VanDerWaalsContact C-N 3.32Å; L218-H220 PolarHBondContact O-N 3.37Å; L218-T221 WeakPolarHBondContact CA-OG1 3.33Å; L218-T221 PolarHBondContact O-N 3.34Å; L218-T221 PolarHBondContact O-OG1 3.34Å; L218-F222 HydrophobicContact CB-CD2 4.38Å; L218-F222 HydrophobicContact CB-CE2 3.93Å; L218-F222 HydrophobicContact CB-CZ 4.45Å; L218-F222 HydrophobicContact CD2-CE2 4.23Å; L218-F222 HydrophobicContact CD2-CZ 3.9Å; L218-F222 WeakPolarHBondContact O-CB 3.38Å; L218-F222 WeakPolarHBondContact O-CD2 3.44Å; L218-F222 VanDerWaalsContact O-CG 3.22Å; L218-F222 WeakPolarHBondContact O-CG 3.5Å; L218-F222 PolarHBondContact O-N 2.96Å
219	G	91.4	Very high	90.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-56.8	-44.2	174.7	0	0	0	0	0	112.4	I215 H216 E217 F222 G223 F224	I215-G219 PolarHBondContact O-N 3.32Å; H216-G219 WeakPolarHBondContact O-CA 2.99Å; H216-G219 PolarHBondContact O-N 3.46Å; E217-G219 VanDerWaalsContact C-N 3.27Å; E217-G219 PolarHBondContact O-N 2.95Å; G219-F222 PolarHBondContact O-N 3.36Å; G219-G223 PolarHBondContact O-N 3.5Å; G219-F224 WeakPolarHBondContact O-CB 3.47Å; G219-F224 PolarHBondContact O-N 3.01Å
220	H	94.7	Very high	91.3	Very high	16 Å²	16	18.4 Å²	18.4	7%	0.074	8%	0.081	C	C	.	.	H	α-helix	trans	-63.3	-48.6	173	-67.8	-54	0	0	0	112	A177 H216 E217 L218 F222 G223 F224 S322 H323 M334	A177-H220 HydrophobicContact CB-CB 3.73Å; H216-H220 AromaticContact CD2-CD2 3.99Å; H216-H220 AromaticContact CD2-NE2 3.93Å; H216-H220 AromaticContact CE1-NE2 3.85Å; H216-H220 AromaticContact NE2-CD2 3.81Å; H216-H220 AromaticContact NE2-NE2 3.29Å; H216-H220 PolarHBondContact NE2-NE2 2.83Å; H216-H220 PolarHBondContact O-N 3.25Å; E217-H220 WeakPolarHBondContact O-CB 2.97Å; E217-H220 PolarHBondContact O-N 3.17Å; E217-H220 IonicContact OE2-CD2 2.97Å; L218-H220 VanDerWaalsContact C-N 3.32Å; L218-H220 PolarHBondContact O-N 3.37Å; H220-F222 PolarHBondContact O-N 2.89Å; H220-F222 VanDerWaalsContact O-N 3.11Å; H220-G223 PolarHBondContact O-N 3.34Å; H220-F224 PolarHBondContact ND1-O 3.48Å; H220-S322 PolarHBondContact CE1-O 3.32Å; H220-S322 VanDerWaalsContact CE1-O 3.27Å; H220-H323 AromaticContact CE1-CD2 3.91Å; H220-H323 AromaticContact CE1-CE1 3.86Å; H220-H323 AromaticContact CE1-NE2 3.4Å; H220-H323 PolarHBondContact CE1-NE2 2.99Å; H220-H323 AromaticContact NE2-CD2 3.97Å; H220-H323 AromaticContact NE2-CE1 3.86Å; H220-H323 AromaticContact NE2-NE2 3.18Å; H220-H323 PolarHBondContact NE2-NE2 2.79Å; H220-H323 VanDerWaalsContact NE2-NE2 3.18Å; H220-M334 VanDerWaalsContact CE1-CE 3.45Å; H220-M334 WeakPolarHBondContact CE1-CE 3.36Å
221	T	95.5	Very high	91.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.9	-24.9	179.1	68.2	0	0	0	0	113.5	F158 L160 A177 P189 I194 E217 L218	F158-T221 WeakPolarHBondContact CE2-O 3.34Å; F158-T221 VanDerWaalsContact CZ-O 3.28Å; F158-T221 WeakPolarHBondContact CZ-O 3.47Å; L160-T221 HydrophobicContact CD1-CG2 4.02Å; A177-T221 HydrophobicContact CB-CG2 3.87Å; P189-T221 WeakPolarHBondContact CB-O 3.26Å; I194-T221 HydrophobicContact CD1-CG2 4.3Å; I194-T221 HydrophobicContact CG1-CG2 3.81Å; E217-T221 WeakPolarHBondContact O-CG2 3.3Å; E217-T221 PolarHBondContact O-N 3.15Å; L218-T221 WeakPolarHBondContact CA-OG1 3.33Å; L218-T221 PolarHBondContact O-N 3.34Å; L218-T221 PolarHBondContact O-OG1 3.34Å
222	F	90.9	Very high	91.7	Very high	19 Å²	19	19.2 Å²	19.2	8%	0.083	9%	0.085	C	C	.	.	H	α-helix	trans	-89.2	-7.4	177.4	-63.2	-30.5	0	0	0	114.1	F49 L76 W79 I83 F158 L218 G219 H220 F352	F49-F222 HydrophobicContact CE1-CE1 4.04Å; F49-F222 HydrophobicContact CE1-CE2 4.34Å; F49-F222 AromaticContact CE1-CZ 3.95Å; F49-F222 HydrophobicContact CE1-CZ 3.95Å; F49-F222 HydrophobicContact CZ-CD1 4.23Å; F49-F222 AromaticContact CZ-CE1 3.81Å; F49-F222 HydrophobicContact CZ-CE1 3.81Å; F49-F222 HydrophobicContact CZ-CZ 4.17Å; L76-F222 HydrophobicContact CD2-CZ 4.19Å; W79-F222 HydrophobicContact CB-CE2 3.67Å; W79-F222 HydrophobicContact CB-CZ 4.44Å; W79-F222 HydrophobicContact CD2-CD2 4Å; W79-F222 AromaticContact CD2-CE2 3.91Å; W79-F222 HydrophobicContact CD2-CE2 3.91Å; W79-F222 HydrophobicContact CE3-CD2 4.11Å; W79-F222 HydrophobicContact CE3-CE2 4.34Å; W79-F222 HydrophobicContact CG-CD2 4.23Å; W79-F222 AromaticContact CG-CE2 3.63Å; W79-F222 HydrophobicContact CG-CE2 3.63Å; I83-F222 HydrophobicContact CD1-CB 4.47Å; I83-F222 HydrophobicContact CD1-CD2 3.84Å; I83-F222 HydrophobicContact CD1-CE2 4.37Å; I83-F222 HydrophobicContact CD1-CG 4.25Å; F158-F222 AromaticContact CD1-CE1 3.93Å; F158-F222 HydrophobicContact CD1-CE1 3.93Å; F158-F222 HydrophobicContact CD2-CD1 4.15Å; F158-F222 HydrophobicContact CD2-CE1 4.22Å; F158-F222 HydrophobicContact CE1-CD1 4.37Å; F158-F222 AromaticContact CE1-CE1 4Å; F158-F222 HydrophobicContact CE1-CE1 4Å; F158-F222 AromaticContact CE2-CD1 3.97Å; F158-F222 HydrophobicContact CE2-CD1 3.97Å; F158-F222 HydrophobicContact CE2-CE1 4.29Å; F158-F222 HydrophobicContact CG-CD1 4.44Å; F158-F222 HydrophobicContact CG-CE1 4.04Å; F158-F222 HydrophobicContact CZ-CD1 4.07Å; F158-F222 HydrophobicContact CZ-CE1 4.17Å; L218-F222 HydrophobicContact CB-CD2 4.38Å; L218-F222 HydrophobicContact CB-CE2 3.93Å; L218-F222 HydrophobicContact CB-CZ 4.45Å; L218-F222 HydrophobicContact CD2-CE2 4.23Å; L218-F222 HydrophobicContact CD2-CZ 3.9Å; L218-F222 WeakPolarHBondContact O-CB 3.38Å; L218-F222 WeakPolarHBondContact O-CD2 3.44Å; L218-F222 VanDerWaalsContact O-CG 3.22Å; L218-F222 WeakPolarHBondContact O-CG 3.5Å; L218-F222 PolarHBondContact O-N 2.96Å; G219-F222 PolarHBondContact O-N 3.36Å; H220-F222 PolarHBondContact O-N 2.89Å; H220-F222 VanDerWaalsContact O-N 3.11Å; F222-F352 HydrophobicContact CB-CE1 3.93Å; F222-F352 HydrophobicContact CB-CZ 4.1Å
223	G	89.5	Confident	91.7	Very high	6 Å²	6	21 Å²	21	6%	0.062	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	124.7	6.6	167	0	0	0	0	0	116.3	G219 H220 D225 F351	G219-G223 PolarHBondContact O-N 3.5Å; H220-G223 PolarHBondContact O-N 3.34Å; G223-D225 PolarHBondContact O-N 3.04Å; G223-F351 WeakPolarHBondContact O-CZ 3.49Å
224	F	91.9	Very high	91.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.108	C	C	.	.			trans	-75.9	79	169.2	-159.8	-69.4	0	0	0	109.1	G219 H220 F229 L311 S322 F324 M334 F351 F352	G219-F224 WeakPolarHBondContact O-CB 3.47Å; G219-F224 PolarHBondContact O-N 3.01Å; H220-F224 PolarHBondContact ND1-O 3.48Å; F224-F229 HydrophobicContact CE1-CZ 4.33Å; F224-L311 HydrophobicContact CZ-CD2 4.47Å; F224-S322 WeakPolarHBondContact CD1-O 3.37Å; F224-S322 VanDerWaalsContact CE1-O 3.24Å; F224-S322 WeakPolarHBondContact CE1-O 3.36Å; F224-F324 HydrophobicContact CE2-CD2 4.22Å; F224-F324 AromaticContact CE2-CE1 3.99Å; F224-F324 HydrophobicContact CE2-CE1 3.99Å; F224-F324 AromaticContact CE2-CE2 3.47Å; F224-F324 HydrophobicContact CE2-CE2 3.47Å; F224-F324 VanDerWaalsContact CE2-CE2 3.47Å; F224-F324 AromaticContact CE2-CZ 3.35Å; F224-F324 HydrophobicContact CE2-CZ 3.35Å; F224-F324 HydrophobicContact CZ-CD1 4.1Å; F224-F324 AromaticContact CZ-CD2 3.96Å; F224-F324 HydrophobicContact CZ-CD2 3.96Å; F224-F324 AromaticContact CZ-CE1 3.83Å; F224-F324 HydrophobicContact CZ-CE1 3.83Å; F224-F324 AromaticContact CZ-CE2 3.66Å; F224-F324 HydrophobicContact CZ-CE2 3.66Å; F224-F324 HydrophobicContact CZ-CG 4.17Å; F224-F324 AromaticContact CZ-CZ 3.61Å; F224-F324 HydrophobicContact CZ-CZ 3.61Å; F224-M334 HydrophobicContact CB-CE 3.94Å; F224-M334 HydrophobicContact CD1-CE 3.83Å; F224-M334 HydrophobicContact CD2-CG 4.27Å; F224-M334 HydrophobicContact CE1-CB 4.46Å; F224-M334 HydrophobicContact CG-CE 3.93Å; F224-M334 HydrophobicContact CG-CG 4.3Å; F224-M334 HydrophobicContact CZ-CB 4.45Å; F224-F351 HydrophobicContact CB-CD1 4.41Å; F224-F351 HydrophobicContact CB-CE1 3.96Å; F224-F351 HydrophobicContact CB-CZ 4.3Å; F224-F351 HydrophobicContact CD2-CB 4.11Å; F224-F351 AromaticContact CD2-CD1 3.49Å; F224-F351 HydrophobicContact CD2-CD1 3.49Å; F224-F351 VanDerWaalsContact CD2-CD1 3.49Å; F224-F351 AromaticContact CD2-CD2 3.77Å; F224-F351 HydrophobicContact CD2-CD2 3.77Å; F224-F351 AromaticContact CD2-CE1 3.74Å; F224-F351 HydrophobicContact CD2-CE1 3.74Å; F224-F351 HydrophobicContact CD2-CE2 4.01Å; F224-F351 AromaticContact CD2-CG 3.51Å; F224-F351 HydrophobicContact CD2-CG 3.51Å; F224-F351 AromaticContact CD2-CZ 4Å; F224-F351 HydrophobicContact CD2-CZ 4Å; F224-F351 HydrophobicContact CE2-CB 4Å; F224-F351 HydrophobicContact CE2-CD1 4.18Å; F224-F351 AromaticContact CE2-CD2 3.73Å; F224-F351 HydrophobicContact CE2-CD2 3.73Å; F224-F351 HydrophobicContact CE2-CE2 4.24Å; F224-F351 AromaticContact CE2-CG 3.71Å; F224-F351 HydrophobicContact CE2-CG 3.71Å; F224-F351 HydrophobicContact CG-CD1 4.37Å; F224-F351 HydrophobicContact CG-CE1 4.21Å; F224-F351 HydrophobicContact CG-CZ 4.34Å; F224-F352 HydrophobicContact CB-CE2 4.36Å; F224-F352 HydrophobicContact CB-CZ 4.03Å
225	D	90.8	Very high	90.3	Very high	23 Å²	23	29.4 Å²	29.4	12%	0.123	13%	0.131	C	C	.	.	S	Bend	trans	-151.3	136.6	179.2	-168.5	-65.6	0	0	0	109.6	G223 W227 L228 F229	G223-D225 PolarHBondContact O-N 3.04Å; D225-W227 PolarHBondContact O-N 2.93Å; D225-W227 VanDerWaalsContact O-N 3.16Å; D225-W227 WeakPolarHBondContact OD1-CB 3.47Å; D225-W227 PolarHBondContact OD1-N 3.23Å; D225-L228 HydrophobicContact CB-CB 4.37Å; D225-L228 HydrophobicContact CB-CD1 4.07Å; D225-L228 HydrophobicContact CB-CG 4.21Å; D225-L228 WeakPolarHBondContact O-CA 3.35Å; D225-L228 WeakPolarHBondContact O-CB 3.29Å; D225-L228 PolarHBondContact O-N 2.61Å; D225-F229 WeakPolarHBondContact O-CD1 3.4Å; D225-F229 WeakPolarHBondContact O-CE1 3.34Å; D225-F229 PolarHBondContact O-N 3.05Å; D225-F229 VanDerWaalsContact O-N 3.15Å
226	Y	91.1	Very high	89.8	Confident	25 Å²	25	34.7 Å²	34.7	10%	0.098	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-37.5	178.9	176	-114.8	0	0	0	113	L228 F229 P230 K261 I267 L321 S322	Y226-L228 PolarHBondContact O-N 3.49Å; Y226-F229 HydrophobicContact CD2-CD2 4.06Å; Y226-F229 HydrophobicContact CD2-CE2 4.45Å; Y226-F229 PolarHBondContact O-N 2.71Å; Y226-P230 WeakPolarHBondContact O-CD 3.48Å; Y226-K261 HydrophobicContact CE1-CG 4.42Å; Y226-K261 PolarHBondContact OH-N 2.84Å; Y226-K261 VanDerWaalsContact OH-N 3.14Å; Y226-I267 HydrophobicContact CD2-CD1 4.23Å; Y226-I267 HydrophobicContact CE2-CD1 3.56Å; Y226-L321 HydrophobicContact CD1-CD1 4.45Å; Y226-L321 HydrophobicContact CD2-CB 3.63Å; Y226-L321 HydrophobicContact CD2-CD1 3.7Å; Y226-L321 HydrophobicContact CD2-CG 4.31Å; Y226-L321 HydrophobicContact CE1-CD1 4.27Å; Y226-L321 HydrophobicContact CE2-CB 4.33Å; Y226-L321 HydrophobicContact CE2-CD1 3.51Å; Y226-L321 HydrophobicContact CG-CB 3.78Å; Y226-L321 HydrophobicContact CG-CD1 4.18Å; Y226-S322 PolarHBondContact N-OG 2.96Å
227	W	88.7	Confident	89	Confident	131 Å²	131	35.7 Å²	35.7	50%	0.496	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-17.9	178.6	-56.8	121	0	0	0	113.5	D225 P230 K261	D225-W227 PolarHBondContact O-N 2.93Å; D225-W227 VanDerWaalsContact O-N 3.16Å; D225-W227 WeakPolarHBondContact OD1-CB 3.47Å; D225-W227 PolarHBondContact OD1-N 3.23Å; W227-P230 WeakPolarHBondContact O-CD 3.17Å; W227-K261 HydrophobicContact CE3-CD 3.57Å; W227-K261 HydrophobicContact CZ3-CD 3.4Å; W227-K261 VanDerWaalsContact CZ3-CD 3.4Å; W227-K261 HydrophobicContact CZ3-CG 4.47Å
228	L	91.6	Very high	88.6	Confident	15 Å²	15	37.1 Å²	37.1	8%	0.079	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-13.9	179	-64	176	0	0	0	113.2	T179 K182 P189 D225 Y226 P230 Y231 L232	T179-L228 HydrophobicContact CG2-CD1 4.29Å; T179-L228 WeakPolarHBondContact OG1-CD1 3.5Å; K182-L228 HydrophobicContact CD-CD2 3.62Å; K182-L228 HydrophobicContact CG-CD2 4.45Å; P189-L228 HydrophobicContact CG-CD1 4.04Å; D225-L228 HydrophobicContact CB-CB 4.37Å; D225-L228 HydrophobicContact CB-CD1 4.07Å; D225-L228 HydrophobicContact CB-CG 4.21Å; D225-L228 WeakPolarHBondContact O-CA 3.35Å; D225-L228 WeakPolarHBondContact O-CB 3.29Å; D225-L228 PolarHBondContact O-N 2.61Å; Y226-L228 PolarHBondContact O-N 3.49Å; L228-P230 VanDerWaalsContact C-N 3.33Å; L228-Y231 WeakPolarHBondContact O-CA 3.39Å; L228-Y231 VanDerWaalsContact O-CB 3.32Å; L228-Y231 WeakPolarHBondContact O-CB 3.12Å; L228-Y231 PolarHBondContact O-N 3.01Å; L228-L232 PolarHBondContact O-N 3.11Å
229	F	91.9	Very high	88.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-55	-38.7	174.2	-65.2	-7.3	0	0	0	114.4	F224 D225 Y226 Y231 L232 A262 T266 I267 L288 L311 L321 F351	F224-F229 HydrophobicContact CE1-CZ 4.33Å; D225-F229 WeakPolarHBondContact O-CD1 3.4Å; D225-F229 WeakPolarHBondContact O-CE1 3.34Å; D225-F229 PolarHBondContact O-N 3.05Å; D225-F229 VanDerWaalsContact O-N 3.15Å; Y226-F229 HydrophobicContact CD2-CD2 4.06Å; Y226-F229 HydrophobicContact CD2-CE2 4.45Å; Y226-F229 PolarHBondContact O-N 2.71Å; F229-Y231 PolarHBondContact O-N 3.13Å; F229-Y231 VanDerWaalsContact O-N 3.16Å; F229-L232 HydrophobicContact CB-CD1 4.34Å; F229-L232 HydrophobicContact CD1-CD1 4.04Å; F229-L232 HydrophobicContact CG-CD1 4.44Å; F229-L232 WeakPolarHBondContact O-CB 3.41Å; F229-L232 WeakPolarHBondContact O-CG 3.5Å; F229-L232 PolarHBondContact O-N 3.09Å; F229-L232 VanDerWaalsContact O-N 3.12Å; F229-A262 HydrophobicContact CB-CB 4.1Å; F229-T266 HydrophobicContact CB-CG2 4Å; F229-I267 HydrophobicContact CD2-CG2 3.71Å; F229-I267 HydrophobicContact CE2-CG2 4.23Å; F229-L288 HydrophobicContact CD2-CD1 4.44Å; F229-L288 HydrophobicContact CE2-CD1 4.22Å; F229-L288 HydrophobicContact CZ-CD1 4.4Å; F229-L311 HydrophobicContact CD2-CD1 4.49Å; F229-L311 HydrophobicContact CE2-CD1 3.71Å; F229-L311 HydrophobicContact CE2-CD2 4.43Å; F229-L321 WeakPolarHBondContact CE2-O 3.49Å; F229-F351 HydrophobicContact CD1-CE2 4.09Å; F229-F351 HydrophobicContact CD1-CZ 4.31Å; F229-F351 AromaticContact CE1-CE2 3.61Å; F229-F351 HydrophobicContact CE1-CE2 3.61Å; F229-F351 AromaticContact CE1-CZ 3.89Å; F229-F351 HydrophobicContact CE1-CZ 3.89Å; F229-F351 HydrophobicContact CZ-CE2 4.41Å
230	P	92.3	Very high	88.3	Confident	7 Å²	7	40.5 Å²	40.5	5%	0.045	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-62	-27.1	176.3	-20.2	32.4	0	0	0	112	Y226 W227 L228 L232 T241 R243 P250 K261 A262	Y226-P230 WeakPolarHBondContact O-CD 3.48Å; W227-P230 WeakPolarHBondContact O-CD 3.17Å; L228-P230 VanDerWaalsContact C-N 3.33Å; P230-L232 VanDerWaalsContact C-N 3.34Å; P230-T241 WeakPolarHBondContact CA-OG1 3.42Å; P230-T241 VanDerWaalsContact O-CB 3.23Å; P230-T241 WeakPolarHBondContact O-CB 3.03Å; P230-T241 PolarHBondContact O-OG1 3.17Å; P230-R243 PolarHBondContact O-NH1 2.9Å; P230-P250 HydrophobicContact CB-CB 3.7Å; P230-P250 HydrophobicContact CB-CG 3.79Å; P230-K261 VanDerWaalsContact CB-O 3.3Å; P230-K261 WeakPolarHBondContact CB-O 3.33Å; P230-K261 HydrophobicContact CG-CB 3.81Å; P230-K261 WeakPolarHBondContact CG-O 3.34Å; P230-A262 HydrophobicContact CB-CB 4.18Å; P230-A262 HydrophobicContact CG-CB 3.97Å
231	Y	91.8	Very high	88.1	Confident	45 Å²	45	39.8 Å²	39.8	18%	0.176	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-84.5	-6.7	-177.7	-69.1	-86.1	0	0	0	113.5	K182 D187 L228 F229 R243 E249 P250	K182-Y231 HydrophobicContact CD-CG 4.47Å; D187-Y231 HydrophobicContact CB-CD1 3.94Å; D187-Y231 HydrophobicContact CB-CG 4.38Å; L228-Y231 WeakPolarHBondContact O-CA 3.39Å; L228-Y231 VanDerWaalsContact O-CB 3.32Å; L228-Y231 WeakPolarHBondContact O-CB 3.12Å; L228-Y231 PolarHBondContact O-N 3.01Å; F229-Y231 PolarHBondContact O-N 3.13Å; F229-Y231 VanDerWaalsContact O-N 3.16Å; Y231-R243 VanDerWaalsContact C-NH2 3.35Å; Y231-R243 VanDerWaalsContact CA-NH2 3.28Å; Y231-R243 PolarHBondContact O-NH2 3.37Å; Y231-E249 PolarHBondContact OH-OE2 3.25Å; Y231-P250 HydrophobicContact CD1-CG 3.72Å; Y231-P250 HydrophobicContact CD2-CG 4Å; Y231-P250 HydrophobicContact CE1-CG 3.53Å; Y231-P250 HydrophobicContact CE2-CG 3.81Å; Y231-P250 HydrophobicContact CG-CG 3.96Å
232	L	89.3	Confident	87.9	Confident	39 Å²	39	48 Å²	48	20%	0.204	23%	0.23	C	C	.	.			trans	-61.5	153.9	178.3	-66.8	173.9	0	0	0	112.5	L228 F229 P230 R240 T266 L290 F351	L228-L232 PolarHBondContact O-N 3.11Å; F229-L232 HydrophobicContact CB-CD1 4.34Å; F229-L232 HydrophobicContact CD1-CD1 4.04Å; F229-L232 HydrophobicContact CG-CD1 4.44Å; F229-L232 WeakPolarHBondContact O-CB 3.41Å; F229-L232 WeakPolarHBondContact O-CG 3.5Å; F229-L232 PolarHBondContact O-N 3.09Å; F229-L232 VanDerWaalsContact O-N 3.12Å; P230-L232 VanDerWaalsContact C-N 3.34Å; L232-R240 VanDerWaalsContact O-CB 3.31Å; L232-R240 WeakPolarHBondContact O-CB 3.44Å; L232-R240 PolarHBondContact O-N 3.01Å; L232-T266 HydrophobicContact CD1-CG2 3.77Å; L232-L290 HydrophobicContact CD1-CD1 4.05Å; L232-L290 HydrophobicContact CD1-CD2 4.3Å; L232-F351 HydrophobicContact CD1-CE2 4.04Å; L232-F351 HydrophobicContact CD1-CZ 4.37Å; L232-F351 HydrophobicContact CD2-CZ 4.18Å
233	R	85.7	Confident	87.9	Confident	69 Å²	69	48.6 Å²	48.6	26%	0.26	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-127.2	159.6	-176.4	-69.7	179	174.1	-113	9.1	111.4	D185 T186 D187 G237 S238 R240	D185-R233 PolarHBondContact O-NH2 3.25Å; T186-R233 VanDerWaalsContact O-CD 3.23Å; T186-R233 WeakPolarHBondContact O-CD 3.26Å; T186-R233 PolarHBondContact O-NE 2.9Å; T186-R233 VanDerWaalsContact O-NE 3.08Å; D187-R233 IonicContact OD1-NH2 3.88Å; D187-R233 IonicContact OD2-CZ 3.13Å; D187-R233 IonicContact OD2-NE 2.83Å; D187-R233 PolarHBondContact OD2-NE 3.03Å; D187-R233 IonicContact OD2-NH2 2.69Å; D187-R233 PolarHBondContact OD2-NH2 2.89Å; R233-G237 WeakPolarHBondContact CD-O 3.45Å; R233-G237 PolarHBondContact NH1-O 3.06Å; R233-S238 CarbonylContact C-O 3.51Å; R233-S238 VanDerWaalsContact CA-O 3.23Å; R233-S238 WeakPolarHBondContact CA-O 3.28Å; R233-S238 WeakPolarHBondContact CB-O 3.34Å; R233-R240 PolarHBondContact O-NE 2.82Å; R233-R240 VanDerWaalsContact O-NE 3.09Å
234	Y	81.1	Confident	88	Confident	90 Å²	90	49.9 Å²	49.9	35%	0.353	24%	0.238	S	C	.	.			trans	-75.6	174.2	168.4	-69.7	-76.2	0	0	0	111	D236 G237 S238 R240 N265	Y234-D236 VanDerWaalsContact CB-OD1 3.28Å; Y234-D236 WeakPolarHBondContact CB-OD1 3.4Å; Y234-D236 PolarHBondContact O-N 2.94Å; Y234-G237 PolarHBondContact O-N 3.19Å; Y234-S238 WeakPolarHBondContact CD2-OG 3.4Å; Y234-S238 PolarHBondContact N-O 3.27Å; Y234-R240 HydrophobicContact CD1-CG 4.23Å; Y234-R240 HydrophobicContact CD2-CG 3.8Å; Y234-R240 HydrophobicContact CE1-CG 4.16Å; Y234-R240 HydrophobicContact CE2-CB 4.32Å; Y234-R240 HydrophobicContact CE2-CG 3.74Å; Y234-R240 HydrophobicContact CG-CG 4.07Å; Y234-N265 PolarHBondContact OH-ND2 3.09Å; Y234-N265 VanDerWaalsContact OH-ND2 3.11Å
235	D	74.2	Confident	87.9	Confident	90 Å²	90	55 Å²	55	48%	0.481	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-28.4	-175.6	-71	-18.9	0	0	0	113.6	K86 G237 K353	K86-D235 PolarHBondContact NZ-O 3.49Å; K86-D235 IonicContact NZ-OD1 2.71Å; D235-G237 PolarHBondContact O-N 3.12Å; D235-K353 WeakPolarHBondContact OD1-CD 3.25Å; D235-K353 IonicContact OD1-NZ 2.79Å; D235-K353 PolarHBondContact OD1-NZ 3.02Å; D235-K353 IonicContact OD2-NZ 2.59Å; D235-K353 PolarHBondContact OD2-NZ 2.8Å
236	D	79.5	Confident	87.9	Confident	129 Å²	129	60.7 Å²	60.7	69%	0.69	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-3.7	175.1	64.8	-1.8	0	0	0	113.1	Y234 S238	Y234-D236 VanDerWaalsContact CB-OD1 3.28Å; Y234-D236 WeakPolarHBondContact CB-OD1 3.4Å; Y234-D236 PolarHBondContact O-N 2.94Å; D236-S238 WeakPolarHBondContact OD1-CB 3.41Å; D236-S238 PolarHBondContact OD1-N 2.95Å; D236-S238 PolarHBondContact OD1-OG 3.42Å; D236-S238 PolarHBondContact OD2-OG 2.91Å
237	G	77.6	Confident	87.9	Confident	33 Å²	33	60.7 Å²	60.7	34%	0.34	30%	0.3	S	S	.	.	S	Bend	trans	85.4	2.4	-177.9	0	0	0	0	0	114.5	R233 Y234 D235	R233-G237 WeakPolarHBondContact CD-O 3.45Å; R233-G237 PolarHBondContact NH1-O 3.06Å; Y234-G237 PolarHBondContact O-N 3.19Å; D235-G237 PolarHBondContact O-N 3.12Å
238	S	85.8	Confident	87.9	Confident	43 Å²	43	55.2 Å²	55.2	30%	0.301	28%	0.283	S	S	.	.			trans	-69.6	143.6	173.7	63.8	0	0	0	0	111.4	R233 Y234 D236	R233-S238 CarbonylContact C-O 3.51Å; R233-S238 VanDerWaalsContact CA-O 3.23Å; R233-S238 WeakPolarHBondContact CA-O 3.28Å; R233-S238 WeakPolarHBondContact CB-O 3.34Å; Y234-S238 WeakPolarHBondContact CD2-OG 3.4Å; Y234-S238 PolarHBondContact N-O 3.27Å; D236-S238 WeakPolarHBondContact OD1-CB 3.41Å; D236-S238 PolarHBondContact OD1-N 2.95Å; D236-S238 PolarHBondContact OD1-OG 3.42Å; D236-S238 PolarHBondContact OD2-OG 2.91Å
239	P	89.4	Confident	87.9	Confident	47 Å²	47	57 Å²	57	31%	0.305	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-61.4	137.3	176.8	-24.4	35.4	0	0	0	113.3	T241 R243	P239-T241 VanDerWaalsContact CB-O 3.27Å; P239-T241 WeakPolarHBondContact CB-O 3.48Å; P239-R243 HydrophobicContact CB-CG 3.76Å; P239-R243 HydrophobicContact CG-CG 3.62Å
240	R	90.5	Very high	87.9	Confident	24 Å²	24	58.5 Å²	58.5	9%	0.091	30%	0.301	C	S	.	.	S	Bend	trans	-77.7	-42.6	171.8	-78.5	175.9	173.4	-82.6	-2.5	112.8	L232 R233 Y234 N265 T266	L232-R240 VanDerWaalsContact O-CB 3.31Å; L232-R240 WeakPolarHBondContact O-CB 3.44Å; L232-R240 PolarHBondContact O-N 3.01Å; R233-R240 PolarHBondContact O-NE 2.82Å; R233-R240 VanDerWaalsContact O-NE 3.09Å; Y234-R240 HydrophobicContact CD1-CG 4.23Å; Y234-R240 HydrophobicContact CD2-CG 3.8Å; Y234-R240 HydrophobicContact CE1-CG 4.16Å; Y234-R240 HydrophobicContact CE2-CB 4.32Å; Y234-R240 HydrophobicContact CE2-CG 3.74Å; Y234-R240 HydrophobicContact CG-CG 4.07Å; R240-N265 WeakPolarHBondContact CB-OD1 3.2Å; R240-N265 PolarHBondContact NH1-O 3.12Å; R240-N265 PolarHBondContact O-ND2 2.93Å; R240-T266 WeakPolarHBondContact CB-OG1 3.48Å; R240-T266 WeakPolarHBondContact CD-OG1 3.41Å
241	T	91.2	Very high	87.8	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	-91.5	134	169	-54.4	0	0	0	0	108.2	P230 P239 R243 P250 L252 D263	P230-T241 WeakPolarHBondContact CA-OG1 3.42Å; P230-T241 VanDerWaalsContact O-CB 3.23Å; P230-T241 WeakPolarHBondContact O-CB 3.03Å; P230-T241 PolarHBondContact O-OG1 3.17Å; P239-T241 VanDerWaalsContact CB-O 3.27Å; P239-T241 WeakPolarHBondContact CB-O 3.48Å; T241-R243 PolarHBondContact O-N 3.01Å; T241-R243 PolarHBondContact O-NH1 3.25Å; T241-P250 HydrophobicContact CG2-CB 3.94Å; T241-L252 HydrophobicContact CG2-CD1 4.31Å; T241-L252 HydrophobicContact CG2-CD2 3.79Å; T241-L252 HydrophobicContact CG2-CG 3.7Å; T241-D263 PolarHBondContact OG1-N 2.95Å
242	R	91.3	Very high	87.4	Confident	172 Å²	172	61.9 Å²	61.9	65%	0.649	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-51	140.4	176.4	-179.8	176.7	173.8	170.3	-2.2	110	P250 E251	R242-P250 WeakPolarHBondContact O-CA 3.44Å; R242-E251 PolarHBondContact O-N 2.92Å
243	R	90.1	Very high	86.7	Confident	32 Å²	32	63.4 Å²	63.4	12%	0.121	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-100.8	143.2	175.8	-60.7	-58.9	-169.5	-108.5	-2.6	110.5	D187 P230 Y231 P239 T241 P245 G248 E249	D187-R243 IonicContact OD2-CZ 3.48Å; D187-R243 IonicContact OD2-NE 3.4Å; D187-R243 PolarHBondContact OD2-NE 3.14Å; D187-R243 IonicContact OD2-NH2 2.72Å; D187-R243 PolarHBondContact OD2-NH2 2.71Å; P230-R243 PolarHBondContact O-NH1 2.9Å; Y231-R243 VanDerWaalsContact C-NH2 3.35Å; Y231-R243 VanDerWaalsContact CA-NH2 3.28Å; Y231-R243 PolarHBondContact O-NH2 3.37Å; P239-R243 HydrophobicContact CB-CG 3.76Å; P239-R243 HydrophobicContact CG-CG 3.62Å; T241-R243 PolarHBondContact O-N 3.01Å; T241-R243 PolarHBondContact O-NH1 3.25Å; R243-P245 WeakPolarHBondContact O-CD 3.11Å; R243-G248 VanDerWaalsContact CD-O 3.3Å; R243-G248 WeakPolarHBondContact CD-O 3.45Å; R243-E249 CarbonylContact C-O 3.54Å; R243-E249 VanDerWaalsContact CA-O 3.27Å; R243-E249 WeakPolarHBondContact CA-O 3.2Å
244	N	91.8	Very high	86	Confident	33 Å²	33	69 Å²	69	18%	0.176	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-66	125	165.2	-177.4	-74.1	0	0	0	108.9	Q246 T247 G248 E249 E251	N244-Q246 PolarHBondContact O-N 3.29Å; N244-Q246 WeakPolarHBondContact OD1-CA 3.31Å; N244-Q246 WeakPolarHBondContact OD1-CB 3.25Å; N244-Q246 PolarHBondContact OD1-N 2.69Å; N244-T247 VanDerWaalsContact CB-OG1 3.32Å; N244-T247 WeakPolarHBondContact CB-OG1 3.49Å; N244-T247 PolarHBondContact OD1-N 3.18Å; N244-G248 WeakPolarHBondContact O-CA 3.33Å; N244-G248 PolarHBondContact O-N 3.16Å; N244-E249 PolarHBondContact N-O 3.04Å; N244-E251 WeakPolarHBondContact CA-OE2 3.31Å; N244-E251 HydrophobicContact CB-CB 4.23Å; N244-E251 VanDerWaalsContact CB-OE2 3.27Å; N244-E251 WeakPolarHBondContact CB-OE2 3.26Å; N244-E251 PolarHBondContact ND2-OE2 3Å
245	P	91.1	Very high	85.5	Confident	107 Å²	107	73.2 Å²	73.2	70%	0.695	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-29.5	-175.5	-25.2	34.6	0	0	0	114.4	R243	R243-P245 WeakPolarHBondContact O-CD 3.11Å
246	Q	89.7	Confident	85.5	Confident	143 Å²	143	71.4 Å²	71.4	67%	0.668	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-49.5	-177.4	-61.2	170.7	-9.8	0	0	110.9	P109 N244	P109-Q246 HydrophobicContact CB-CB 4.39Å; P109-Q246 HydrophobicContact CG-CB 4.42Å; N244-Q246 PolarHBondContact O-N 3.29Å; N244-Q246 WeakPolarHBondContact OD1-CA 3.31Å; N244-Q246 WeakPolarHBondContact OD1-CB 3.25Å; N244-Q246 PolarHBondContact OD1-N 2.69Å
247	T	91.3	Very high	85.7	Confident	26 Å²	26	65.4 Å²	65.4	16%	0.16	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-20.4	-172.5	69.5	0	0	0	0	114	P109 R110 N244 E249	P109-T247 HydrophobicContact CB-CG2 4.07Å; R110-T247 WeakPolarHBondContact CG-O 3.5Å; N244-T247 VanDerWaalsContact CB-OG1 3.32Å; N244-T247 WeakPolarHBondContact CB-OG1 3.49Å; N244-T247 PolarHBondContact OD1-N 3.18Å; T247-E249 PolarHBondContact O-N 3.4Å; T247-E249 WeakPolarHBondContact OG1-CB 3.01Å; T247-E249 PolarHBondContact OG1-N 2.96Å
248	G	89.2	Confident	85.9	Confident	15 Å²	15	70 Å²	70	16%	0.155	35%	0.353	C	S	.	.			trans	72	2.4	-173.3	0	0	0	0	0	114.5	R243 N244	R243-G248 VanDerWaalsContact CD-O 3.3Å; R243-G248 WeakPolarHBondContact CD-O 3.45Å; N244-G248 WeakPolarHBondContact O-CA 3.33Å; N244-G248 PolarHBondContact O-N 3.16Å
249	E	90.8	Very high	85.6	Confident	53 Å²	53	71.1 Å²	71.1	25%	0.248	37%	0.371	C	S	.	.	S	Bend	trans	-81.2	154.5	-179.4	-59.8	-73.9	-174.2	0	0	111.5	R104 Y231 R243 N244 T247 E251	R104-E249 IonicContact CZ-OE1 2.92Å; R104-E249 IonicContact NH1-OE1 3.22Å; R104-E249 IonicContact NH2-OE1 3.94Å; R104-E249 PolarHBondContact NH2-OE1 3.47Å; Y231-E249 PolarHBondContact OH-OE2 3.25Å; R243-E249 CarbonylContact C-O 3.54Å; R243-E249 VanDerWaalsContact CA-O 3.27Å; R243-E249 WeakPolarHBondContact CA-O 3.2Å; N244-E249 PolarHBondContact N-O 3.04Å; T247-E249 PolarHBondContact O-N 3.4Å; T247-E249 WeakPolarHBondContact OG1-CB 3.01Å; T247-E249 PolarHBondContact OG1-N 2.96Å; E249-E251 PolarHBondContact O-N 3.22Å
250	P	91.8	Very high	85.4	Confident	32 Å²	32	69.2 Å²	69.2	21%	0.208	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-56.3	128.3	168.7	-21.4	31.9	0	0	0	111.1	P230 Y231 T241 R242	P230-P250 HydrophobicContact CB-CB 3.7Å; P230-P250 HydrophobicContact CB-CG 3.79Å; Y231-P250 HydrophobicContact CD1-CG 3.72Å; Y231-P250 HydrophobicContact CD2-CG 4Å; Y231-P250 HydrophobicContact CE1-CG 3.53Å; Y231-P250 HydrophobicContact CE2-CG 3.81Å; Y231-P250 HydrophobicContact CG-CG 3.96Å; T241-P250 HydrophobicContact CG2-CB 3.94Å; R242-P250 WeakPolarHBondContact O-CA 3.44Å
251	E	89.7	Confident	85.3	Confident	81 Å²	81	73.3 Å²	73.3	38%	0.379	38%	0.376	S	S	.	.			trans	-126.1	115.4	177	-175.2	174.6	-175.1	0	0	108.5	R242 N244 E249	R242-E251 PolarHBondContact O-N 2.92Å; N244-E251 WeakPolarHBondContact CA-OE2 3.31Å; N244-E251 HydrophobicContact CB-CB 4.23Å; N244-E251 VanDerWaalsContact CB-OE2 3.27Å; N244-E251 WeakPolarHBondContact CB-OE2 3.26Å; N244-E251 PolarHBondContact ND2-OE2 3Å; E249-E251 PolarHBondContact O-N 3.22Å
252	L	83.6	Confident	85.2	Confident	41 Å²	41	73.3 Å²	73.3	22%	0.215	38%	0.376	C	S	.	.			trans	-108	125.7	168.6	-74.9	169.4	0	0	0	108.3	T241 V256 L260 K261 D263	T241-L252 HydrophobicContact CG2-CD1 4.31Å; T241-L252 HydrophobicContact CG2-CD2 3.79Å; T241-L252 HydrophobicContact CG2-CG 3.7Å; L252-V256 HydrophobicContact CD2-CG1 3.92Å; L252-L260 WeakPolarHBondContact CD1-O 3.48Å; L252-K261 WeakPolarHBondContact CD1-O 3.3Å; L252-D263 HydrophobicContact CD2-CB 4.24Å
253	P	75.8	Confident	85.2	Confident	71 Å²	71	67.2 Å²	67.2	46%	0.461	36%	0.357	S	S	.	.			trans	-54.8	145.5	172.9	-19	27.4	0	0	0	110.5	H255 V256	P253-H255 PolarHBondContact O-N 2.88Å; P253-V256 HydrophobicContact CB-CG2 3.67Å; P253-V256 HydrophobicContact CG-CG2 3.79Å; P253-V256 WeakPolarHBondContact O-CB 3.28Å; P253-V256 WeakPolarHBondContact O-CG2 3.47Å; P253-V256 PolarHBondContact O-N 2.94Å
254	K	69.9	Low	85.4	Confident	188 Å²	188	72 Å²	72	82%	0.817	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	135.2	175.4	-69.2	-176.6	178.4	-179.7	0	108.8	V256	K254-V256 VanDerWaalsContact C-N 3.29Å; K254-V256 PolarHBondContact O-N 3.1Å
255	H	71.2	Confident	85.3	Confident	177 Å²	177	72.3 Å²	72.3	82%	0.819	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	-6.6	-176.4	-41.6	-72	0	0	0	116.8	P253 N257	P253-H255 PolarHBondContact O-N 2.88Å; H255-N257 PolarHBondContact O-N 2.94Å
256	V	74.5	Confident	85.4	Confident	53 Å²	53	67.2 Å²	67.2	32%	0.321	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-69.1	128.5	171.8	176.8	0	0	0	0	109.2	L252 P253 K254 E258	L252-V256 HydrophobicContact CD2-CG1 3.92Å; P253-V256 HydrophobicContact CB-CG2 3.67Å; P253-V256 HydrophobicContact CG-CG2 3.79Å; P253-V256 WeakPolarHBondContact O-CB 3.28Å; P253-V256 WeakPolarHBondContact O-CG2 3.47Å; P253-V256 PolarHBondContact O-N 2.94Å; K254-V256 VanDerWaalsContact C-N 3.29Å; K254-V256 PolarHBondContact O-N 3.1Å; V256-E258 VanDerWaalsContact C-N 3.29Å; V256-E258 PolarHBondContact O-N 3.49Å
257	N	82.9	Confident	85.5	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.011	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	57.5	33.9	178	-151.5	23.9	0	0	0	115.3	H255 G259 L260 A262 R264 I267	H255-N257 PolarHBondContact O-N 2.94Å; N257-G259 PolarHBondContact O-N 3.22Å; N257-G259 VanDerWaalsContact O-N 3.08Å; N257-L260 HydrophobicContact CB-CB 4.37Å; N257-L260 WeakPolarHBondContact O-CB 3.48Å; N257-L260 WeakPolarHBondContact O-CG 3.15Å; N257-L260 PolarHBondContact O-N 3.42Å; N257-A262 PolarHBondContact ND2-O 2.83Å; N257-R264 HydrophobicContact CB-CG 4.08Å; N257-R264 VanDerWaalsContact OD1-CG 3.26Å; N257-R264 WeakPolarHBondContact OD1-CG 3.41Å; N257-I267 PolarHBondContact ND2-O 3.44Å
258	E	82.6	Confident	85.6	Confident	130 Å²	130	61.6 Å²	61.6	61%	0.607	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	54.5	34.9	167	-65.8	171.6	-136.8	0	0	114.7	V256 Y269	V256-E258 VanDerWaalsContact C-N 3.29Å; V256-E258 PolarHBondContact O-N 3.49Å; E258-Y269 HydrophobicContact CB-CD2 3.87Å; E258-Y269 HydrophobicContact CB-CE2 3.7Å
259	G	79.4	Confident	85.8	Confident	66 Å²	66	64.5 Å²	64.5	68%	0.68	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	86.9	0.7	177.2	0	0	0	0	0	114.8	N257	N257-G259 PolarHBondContact O-N 3.22Å; N257-G259 VanDerWaalsContact O-N 3.08Å
260	L	85.5	Confident	85.9	Confident	8 Å²	8	62.2 Å²	62.2	4%	0.042	31%	0.312	C	S	.	.			trans	-65	145.5	165.1	-63.3	178.6	0	0	0	110.2	L252 N257 A262 I267 Y269 V286 L321	L252-L260 WeakPolarHBondContact CD1-O 3.48Å; N257-L260 HydrophobicContact CB-CB 4.37Å; N257-L260 WeakPolarHBondContact O-CB 3.48Å; N257-L260 WeakPolarHBondContact O-CG 3.15Å; N257-L260 PolarHBondContact O-N 3.42Å; L260-A262 PolarHBondContact O-N 3.17Å; L260-I267 HydrophobicContact CB-CD1 3.92Å; L260-I267 HydrophobicContact CB-CG1 4.35Å; L260-I267 HydrophobicContact CD1-CD1 4.23Å; L260-I267 HydrophobicContact CD1-CG1 4.14Å; L260-I267 HydrophobicContact CD2-CD1 4.41Å; L260-I267 HydrophobicContact CG-CD1 4.42Å; L260-Y269 HydrophobicContact CD1-CD2 3.92Å; L260-Y269 HydrophobicContact CD1-CE2 3.89Å; L260-Y269 HydrophobicContact CD2-CE2 4.11Å; L260-Y269 HydrophobicContact CG-CD2 4.26Å; L260-Y269 HydrophobicContact CG-CE2 3.72Å; L260-V286 HydrophobicContact CD1-CG1 4.07Å; L260-V286 HydrophobicContact CD2-CG1 4.21Å; L260-V286 HydrophobicContact CD2-CG2 4.1Å; L260-L321 HydrophobicContact CD2-CD1 4.48Å
261	K	87.4	Confident	85.9	Confident	109 Å²	109	63.9 Å²	63.9	47%	0.474	32%	0.324	S	S	.	.	S	Bend	trans	-82	-10.6	-173.6	-70.7	-163.9	176.1	179.9	0	115	Y226 W227 P230 L252	Y226-K261 HydrophobicContact CE1-CG 4.42Å; Y226-K261 PolarHBondContact OH-N 2.84Å; Y226-K261 VanDerWaalsContact OH-N 3.14Å; W227-K261 HydrophobicContact CE3-CD 3.57Å; W227-K261 HydrophobicContact CZ3-CD 3.4Å; W227-K261 VanDerWaalsContact CZ3-CD 3.4Å; W227-K261 HydrophobicContact CZ3-CG 4.47Å; P230-K261 VanDerWaalsContact CB-O 3.3Å; P230-K261 WeakPolarHBondContact CB-O 3.33Å; P230-K261 HydrophobicContact CG-CB 3.81Å; P230-K261 WeakPolarHBondContact CG-O 3.34Å; L252-K261 WeakPolarHBondContact CD1-O 3.3Å
262	A	90.2	Very high	85.8	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.312	C	S	.	.	S	Bend	trans	-123.1	158.9	-179.6	0	0	0	0	0	111.7	F229 P230 N257 L260 T266 I267	F229-A262 HydrophobicContact CB-CB 4.1Å; P230-A262 HydrophobicContact CB-CB 4.18Å; P230-A262 HydrophobicContact CG-CB 3.97Å; N257-A262 PolarHBondContact ND2-O 2.83Å; L260-A262 PolarHBondContact O-N 3.17Å; A262-T266 HydrophobicContact CB-CG2 4.13Å; A262-I267 HydrophobicContact CB-CD1 3.87Å; A262-I267 HydrophobicContact CB-CG1 3.89Å
263	D	91.7	Very high	86	Confident	45 Å²	45	66.6 Å²	66.6	24%	0.241	33%	0.332	C	S	.	.			trans	-63.8	156.7	-179.2	-167.4	-84.2	0	0	0	112.7	T241 L252 N265 T266 I267	T241-D263 PolarHBondContact OG1-N 2.95Å; L252-D263 HydrophobicContact CD2-CB 4.24Å; D263-N265 PolarHBondContact O-N 3.01Å; D263-N265 VanDerWaalsContact O-N 3.12Å; D263-N265 VanDerWaalsContact OD1-CG 3.3Å; D263-N265 PolarHBondContact OD1-N 2.92Å; D263-N265 PolarHBondContact OD1-ND2 3.46Å; D263-T266 WeakPolarHBondContact O-CA 3.39Å; D263-T266 WeakPolarHBondContact O-CB 3.46Å; D263-T266 PolarHBondContact O-N 3.28Å; D263-I267 PolarHBondContact O-N 3.21Å
264	R	92.7	Very high	86.2	Confident	131 Å²	131	64.9 Å²	64.9	49%	0.494	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-28.7	177.7	-74	-179.5	175.7	-177	-1	113.5	N257 T266 I267 Q268 T289	N257-R264 HydrophobicContact CB-CG 4.08Å; N257-R264 VanDerWaalsContact OD1-CG 3.26Å; N257-R264 WeakPolarHBondContact OD1-CG 3.41Å; R264-T266 PolarHBondContact O-N 3.13Å; R264-I267 VanDerWaalsContact CA-O 3.27Å; R264-I267 WeakPolarHBondContact CA-O 3.44Å; R264-Q268 HydrophobicContact CG-CB 4.44Å; R264-T289 PolarHBondContact O-OG1 2.92Å
265	N	90.4	Very high	86.5	Confident	41 Å²	41	66.6 Å²	66.6	22%	0.219	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-5.7	174.8	72.2	43.8	0	0	0	114.7	Y234 R240 D263 T289	Y234-N265 PolarHBondContact OH-ND2 3.09Å; Y234-N265 VanDerWaalsContact OH-ND2 3.11Å; R240-N265 WeakPolarHBondContact CB-OD1 3.2Å; R240-N265 PolarHBondContact NH1-O 3.12Å; R240-N265 PolarHBondContact O-ND2 2.93Å; D263-N265 PolarHBondContact O-N 3.01Å; D263-N265 VanDerWaalsContact O-N 3.12Å; D263-N265 VanDerWaalsContact OD1-CG 3.3Å; D263-N265 PolarHBondContact OD1-N 2.92Å; D263-N265 PolarHBondContact OD1-ND2 3.46Å; N265-T289 PolarHBondContact O-OG1 3.46Å
266	T	92.1	Very high	86.4	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-52.1	179.7	-60.9	0	0	0	0	111.5	F229 L232 R240 A262 D263 R264 L288 T289 L290	F229-T266 HydrophobicContact CB-CG2 4Å; L232-T266 HydrophobicContact CD1-CG2 3.77Å; R240-T266 WeakPolarHBondContact CB-OG1 3.48Å; R240-T266 WeakPolarHBondContact CD-OG1 3.41Å; A262-T266 HydrophobicContact CB-CG2 4.13Å; D263-T266 WeakPolarHBondContact O-CA 3.39Å; D263-T266 WeakPolarHBondContact O-CB 3.46Å; D263-T266 PolarHBondContact O-N 3.28Å; R264-T266 PolarHBondContact O-N 3.13Å; T266-L288 WeakPolarHBondContact O-CA 3.25Å; T266-L288 WeakPolarHBondContact O-CD1 3.4Å; T266-T289 WeakPolarHBondContact CA-OG1 3.14Å; T266-T289 PolarHBondContact N-OG1 3.23Å; T266-T289 PolarHBondContact O-N 3.41Å; T266-T289 PolarHBondContact O-OG1 3.37Å; T266-L290 HydrophobicContact CG2-CD2 4.23Å
267	I	93.2	Very high	86.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	149.6	175	57.7	-179.4	0	0	0	110	Y226 F229 N257 L260 A262 D263 R264 V286 G287 L288 L311	Y226-I267 HydrophobicContact CD2-CD1 4.23Å; Y226-I267 HydrophobicContact CE2-CD1 3.56Å; F229-I267 HydrophobicContact CD2-CG2 3.71Å; F229-I267 HydrophobicContact CE2-CG2 4.23Å; N257-I267 PolarHBondContact ND2-O 3.44Å; L260-I267 HydrophobicContact CB-CD1 3.92Å; L260-I267 HydrophobicContact CB-CG1 4.35Å; L260-I267 HydrophobicContact CD1-CD1 4.23Å; L260-I267 HydrophobicContact CD1-CG1 4.14Å; L260-I267 HydrophobicContact CD2-CD1 4.41Å; L260-I267 HydrophobicContact CG-CD1 4.42Å; A262-I267 HydrophobicContact CB-CD1 3.87Å; A262-I267 HydrophobicContact CB-CG1 3.89Å; D263-I267 PolarHBondContact O-N 3.21Å; R264-I267 VanDerWaalsContact CA-O 3.27Å; R264-I267 WeakPolarHBondContact CA-O 3.44Å; I267-V286 HydrophobicContact CB-CG1 4.24Å; I267-G287 CarbonylContact C-O 3.6Å; I267-G287 VanDerWaalsContact CA-O 3.23Å; I267-G287 WeakPolarHBondContact CA-O 3.27Å; I267-L288 HydrophobicContact CG2-CD1 3.91Å; I267-L311 HydrophobicContact CG2-CD1 3.98Å
268	Q	93.5	Very high	85.6	Confident	50 Å²	50	62.1 Å²	62.1	23%	0.234	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	161.1	172.5	69	-174.7	15.4	0	0	111.1	R264 V270 V286 G287 T289	R264-Q268 HydrophobicContact CG-CB 4.44Å; Q268-V270 HydrophobicContact CG-CG2 4.36Å; Q268-V270 WeakPolarHBondContact O-CG2 2.84Å; Q268-V286 CarbonylContact O-C 3.52Å; Q268-V286 WeakPolarHBondContact O-CA 3.29Å; Q268-G287 PolarHBondContact N-O 2.88Å; Q268-G287 PolarHBondContact O-N 3.19Å; Q268-T289 HydrophobicContact CB-CG2 4.41Å; Q268-T289 HydrophobicContact CG-CG2 3.58Å
269	Y	92.8	Very high	85.3	Confident	76 Å²	76	58.1 Å²	58.1	30%	0.298	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	135.2	161.2	-72	-76.9	0	0	0	109.9	E258 L260 Q284 R285 V286	E258-Y269 HydrophobicContact CB-CD2 3.87Å; E258-Y269 HydrophobicContact CB-CE2 3.7Å; L260-Y269 HydrophobicContact CD1-CD2 3.92Å; L260-Y269 HydrophobicContact CD1-CE2 3.89Å; L260-Y269 HydrophobicContact CD2-CE2 4.11Å; L260-Y269 HydrophobicContact CG-CD2 4.26Å; L260-Y269 HydrophobicContact CG-CE2 3.72Å; Y269-Q284 HydrophobicContact CD1-CB 4.39Å; Y269-R285 CarbonylContact C-O 3.49Å; Y269-R285 VanDerWaalsContact CA-O 3.29Å; Y269-R285 WeakPolarHBondContact CA-O 3.41Å; Y269-V286 HydrophobicContact CD1-CG2 3.96Å; Y269-V286 HydrophobicContact CE1-CG2 3.67Å
270	V	92.3	Very high	85.4	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.03	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.7	-177.9	-122	0	0	0	0	109.3	Q268 R272 Q284 R285 D307 A308	Q268-V270 HydrophobicContact CG-CG2 4.36Å; Q268-V270 WeakPolarHBondContact O-CG2 2.84Å; V270-R272 VanDerWaalsContact CG1-NH1 3.29Å; V270-Q284 PolarHBondContact O-OE1 3.35Å; V270-R285 PolarHBondContact N-O 3.45Å; V270-R285 PolarHBondContact O-N 3.02Å; V270-D307 VanDerWaalsContact CG1-CG 3.48Å; V270-D307 WeakPolarHBondContact CG1-OD1 3.47Å; V270-D307 WeakPolarHBondContact CG1-OD2 3.27Å; V270-A308 HydrophobicContact CG1-CB 4.36Å; V270-A308 HydrophobicContact CG2-CB 4Å
271	S	91.5	Very high	85.2	Confident	67 Å²	67	61.8 Å²	61.8	47%	0.469	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.2	175.2	-59	0	0	0	0	109.5	Y283 Q284	S271-Y283 CarbonylContact C-O 2.89Å; S271-Y283 WeakPolarHBondContact CA-O 3.2Å; S271-Q284 PolarHBondContact OG-NE2 2.96Å; S271-Q284 PolarHBondContact OG-OE1 2.9Å
272	R	88.7	Confident	85.2	Confident	31 Å²	31	60.8 Å²	60.8	12%	0.117	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118	175.1	-61	-67.4	176.3	-117.7	7.9	108.3	V270 W274 T282 Y283 R285 D307 A308 D310	V270-R272 VanDerWaalsContact CG1-NH1 3.29Å; R272-W274 VanDerWaalsContact CB-NE1 3.33Å; R272-T282 WeakPolarHBondContact O-CA 3.43Å; R272-Y283 PolarHBondContact N-O 2.72Å; R272-Y283 PolarHBondContact O-N 2.7Å; R272-R285 HydrophobicContact CG-CB 4.33Å; R272-R285 HydrophobicContact CG-CG 4.04Å; R272-D307 IonicContact CZ-OD1 3.35Å; R272-D307 VanDerWaalsContact CZ-OD1 3.27Å; R272-D307 IonicContact NH1-OD1 3.66Å; R272-D307 PolarHBondContact NH1-OD1 2.84Å; R272-D307 IonicContact NH1-OD2 3.62Å; R272-D307 IonicContact NH2-OD1 3.19Å; R272-D307 PolarHBondContact NH2-OD1 3.14Å; R272-A308 PolarHBondContact NH2-O 3.47Å; R272-A308 VanDerWaalsContact NH2-O 3.12Å; R272-D310 IonicContact CZ-OD1 3.92Å; R272-D310 VanDerWaalsContact CZ-OD1 3.32Å; R272-D310 IonicContact NE-OD1 2.99Å; R272-D310 PolarHBondContact NE-OD1 2.99Å; R272-D310 IonicContact NE-OD2 3.46Å; R272-D310 PolarHBondContact NE-OD2 3.41Å; R272-D310 IonicContact NH2-OD1 2.76Å; R272-D310 PolarHBondContact NH2-OD1 2.8Å
273	K	86.8	Confident	84.9	Confident	148 Å²	148	62 Å²	62	64%	0.643	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	116.2	173	-165	179.1	178.4	-168.3	0	108.6	D280 Q281	K273-D280 VanDerWaalsContact CE-OD2 3.26Å; K273-D280 WeakPolarHBondContact CE-OD2 3.49Å; K273-D280 IonicContact NZ-OD2 3.38Å; K273-D280 PolarHBondContact NZ-OD2 3.21Å; K273-D280 VanDerWaalsContact NZ-OD2 3.11Å; K273-Q281 CarbonylContact C-O 3.59Å; K273-Q281 WeakPolarHBondContact CA-O 3.13Å
274	W	80	Confident	84.8	Confident	35 Å²	35	65.2 Å²	65.2	13%	0.133	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138	179.4	-65.7	2.9	0	0	0	109.3	R272 T276 D280 Q281 Y283 E398 D424	R272-W274 VanDerWaalsContact CB-NE1 3.33Å; W274-T276 HydrophobicContact CB-CG2 4.43Å; W274-D280 WeakPolarHBondContact O-CA 3.48Å; W274-Q281 PolarHBondContact N-O 2.7Å; W274-Q281 PolarHBondContact O-N 2.71Å; W274-Y283 HydrophobicContact CB-CD2 4.04Å; W274-Y283 HydrophobicContact CB-CE2 3.84Å; W274-Y283 AromaticContact CD2-CD2 3.47Å; W274-Y283 HydrophobicContact CD2-CD2 3.47Å; W274-Y283 VanDerWaalsContact CD2-CD2 3.47Å; W274-Y283 AromaticContact CD2-CE2 3.75Å; W274-Y283 HydrophobicContact CD2-CE2 3.75Å; W274-Y283 AromaticContact CE3-CD2 3.49Å; W274-Y283 HydrophobicContact CE3-CD2 3.49Å; W274-Y283 VanDerWaalsContact CE3-CD2 3.49Å; W274-Y283 AromaticContact CE3-CE2 3.42Å; W274-Y283 HydrophobicContact CE3-CE2 3.42Å; W274-Y283 VanDerWaalsContact CE3-CE2 3.42Å; W274-Y283 AromaticContact CG-CD2 3.74Å; W274-Y283 HydrophobicContact CG-CD2 3.74Å; W274-Y283 AromaticContact CG-CE2 3.98Å; W274-Y283 HydrophobicContact CG-CE2 3.98Å; W274-Y283 HydrophobicContact CZ3-CD2 4.18Å; W274-Y283 HydrophobicContact CZ3-CE2 4.24Å; W274-E398 HydrophobicContact CZ3-CB 4.22Å; W274-D424 HydrophobicContact CH2-CB 4.49Å; W274-D424 WeakPolarHBondContact CH2-OD2 3.49Å
275	R	75.9	Confident	84.7	Confident	225 Å²	225	60.3 Å²	60.3	85%	0.849	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	101.4	168.1	-172.9	167.8	-169.9	176.8	3.8	107.5	D280	R275-D280 WeakPolarHBondContact CG-OD1 3.42Å
276	T	70.6	Confident	84.8	Confident	17 Å²	17	58.8 Å²	58.8	10%	0.104	29%	0.29	C	S	.	.			trans	-94	176	171.4	75.8	0	0	0	0	109.1	W274 S278 S279	W274-T276 HydrophobicContact CB-CG2 4.43Å; T276-S278 PolarHBondContact O-N 2.95Å; T276-S278 PolarHBondContact OG1-N 3.46Å; T276-S278 PolarHBondContact OG1-OG 3.31Å; T276-S279 PolarHBondContact N-O 2.83Å; T276-S279 PolarHBondContact OG1-N 3.06Å; T276-S279 PolarHBondContact OG1-O 2.63Å
277	V	69.5	Low	84.9	Confident	51 Å²	51	58.8 Å²	58.8	31%	0.309	29%	0.29	S	S	.	.	S	Bend	trans	-62.7	-35.4	174.4	176	0	0	0	0	112.3	T400 F402 N403	V277-T400 WeakPolarHBondContact CG2-O 3.48Å; V277-T400 PolarHBondContact N-O 2.7Å; V277-F402 VanDerWaalsContact CG2-CA 3.42Å; V277-F402 WeakPolarHBondContact CG2-O 3.42Å; V277-N403 HydrophobicContact CB-CB 4.45Å; V277-N403 HydrophobicContact CG1-CB 3.29Å; V277-N403 HydrophobicContact CG2-CB 4.41Å
278	S	71.6	Confident	84.9	Confident	69 Å²	69	58.8 Å²	58.8	48%	0.483	29%	0.29	S	S	.	.	S	Bend	trans	-84.5	-33.2	-172.3	58.2	0	0	0	0	112.2	T276	T276-S278 PolarHBondContact O-N 2.95Å; T276-S278 PolarHBondContact OG1-N 3.46Å; T276-S278 PolarHBondContact OG1-OG 3.31Å
279	S	75.3	Confident	84.9	Confident	47 Å²	47	57.5 Å²	57.5	33%	0.329	29%	0.285	S	S	.	.			trans	-174.5	168.6	178.9	46.3	0	0	0	0	112	T276 Q281	T276-S279 PolarHBondContact N-O 2.83Å; T276-S279 PolarHBondContact OG1-N 3.06Å; T276-S279 PolarHBondContact OG1-O 2.63Å; S279-Q281 PolarHBondContact O-N 3.48Å; S279-Q281 WeakPolarHBondContact OG-CG 3.14Å; S279-Q281 PolarHBondContact OG-NE2 2.67Å
280	D	82.4	Confident	84.8	Confident	89 Å²	89	54.2 Å²	54.2	48%	0.476	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	112	155.5	-82.6	10.5	0	0	0	108.1	K273 W274 R275	K273-D280 VanDerWaalsContact CE-OD2 3.26Å; K273-D280 WeakPolarHBondContact CE-OD2 3.49Å; K273-D280 IonicContact NZ-OD2 3.38Å; K273-D280 PolarHBondContact NZ-OD2 3.21Å; K273-D280 VanDerWaalsContact NZ-OD2 3.11Å; W274-D280 WeakPolarHBondContact O-CA 3.48Å; R275-D280 WeakPolarHBondContact CG-OD1 3.42Å
281	Q	81.2	Confident	84.6	Confident	61 Å²	61	62.9 Å²	62.9	29%	0.285	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	150.8	175.3	-67.1	-146	-18.4	0	0	110.9	K273 W274 S279 Y283	K273-Q281 CarbonylContact C-O 3.59Å; K273-Q281 WeakPolarHBondContact CA-O 3.13Å; W274-Q281 PolarHBondContact N-O 2.7Å; W274-Q281 PolarHBondContact O-N 2.71Å; S279-Q281 PolarHBondContact O-N 3.48Å; S279-Q281 WeakPolarHBondContact OG-CG 3.14Å; S279-Q281 PolarHBondContact OG-NE2 2.67Å; Q281-Y283 HydrophobicContact CB-CD2 4.42Å; Q281-Y283 HydrophobicContact CB-CE1 4.01Å; Q281-Y283 HydrophobicContact CB-CE2 3.56Å; Q281-Y283 WeakPolarHBondContact CB-OH 3.47Å; Q281-Y283 VanDerWaalsContact CD-OH 3.25Å; Q281-Y283 WeakPolarHBondContact CG-OH 3.33Å; Q281-Y283 VanDerWaalsContact OE1-CE1 3.27Å; Q281-Y283 PolarHBondContact OE1-OH 3.11Å
282	T	86.7	Confident	84.3	Confident	89 Å²	89	60.6 Å²	60.6	55%	0.546	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.6	172.9	-57.8	0	0	0	0	108.6	R272	R272-T282 WeakPolarHBondContact O-CA 3.43Å
283	Y	84.3	Confident	84.4	Confident	26 Å²	26	59.1 Å²	59.1	10%	0.102	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147	179.8	-56.3	-72.7	0	0	0	110.6	S271 R272 W274 Q281 E398	S271-Y283 CarbonylContact C-O 2.89Å; S271-Y283 WeakPolarHBondContact CA-O 3.2Å; R272-Y283 PolarHBondContact N-O 2.72Å; R272-Y283 PolarHBondContact O-N 2.7Å; W274-Y283 HydrophobicContact CB-CD2 4.04Å; W274-Y283 HydrophobicContact CB-CE2 3.84Å; W274-Y283 AromaticContact CD2-CD2 3.47Å; W274-Y283 HydrophobicContact CD2-CD2 3.47Å; W274-Y283 VanDerWaalsContact CD2-CD2 3.47Å; W274-Y283 AromaticContact CD2-CE2 3.75Å; W274-Y283 HydrophobicContact CD2-CE2 3.75Å; W274-Y283 AromaticContact CE3-CD2 3.49Å; W274-Y283 HydrophobicContact CE3-CD2 3.49Å; W274-Y283 VanDerWaalsContact CE3-CD2 3.49Å; W274-Y283 AromaticContact CE3-CE2 3.42Å; W274-Y283 HydrophobicContact CE3-CE2 3.42Å; W274-Y283 VanDerWaalsContact CE3-CE2 3.42Å; W274-Y283 AromaticContact CG-CD2 3.74Å; W274-Y283 HydrophobicContact CG-CD2 3.74Å; W274-Y283 AromaticContact CG-CE2 3.98Å; W274-Y283 HydrophobicContact CG-CE2 3.98Å; W274-Y283 HydrophobicContact CZ3-CD2 4.18Å; W274-Y283 HydrophobicContact CZ3-CE2 4.24Å; Q281-Y283 HydrophobicContact CB-CD2 4.42Å; Q281-Y283 HydrophobicContact CB-CE1 4.01Å; Q281-Y283 HydrophobicContact CB-CE2 3.56Å; Q281-Y283 WeakPolarHBondContact CB-OH 3.47Å; Q281-Y283 VanDerWaalsContact CD-OH 3.25Å; Q281-Y283 WeakPolarHBondContact CG-OH 3.33Å; Q281-Y283 VanDerWaalsContact OE1-CE1 3.27Å; Q281-Y283 PolarHBondContact OE1-OH 3.11Å; Y283-E398 HydrophobicContact CD1-CB 4.27Å; Y283-E398 HydrophobicContact CE1-CB 3.57Å; Y283-E398 HydrophobicContact CE1-CG 4.45Å; Y283-E398 HydrophobicContact CE2-CB 3.95Å; Y283-E398 WeakPolarHBondContact OH-CA 3.26Å; Y283-E398 WeakPolarHBondContact OH-CB 3.01Å; Y283-E398 PolarHBondContact OH-N 2.79Å
284	Q	88.5	Confident	84.6	Confident	112 Å²	112	52.4 Å²	52.4	52%	0.523	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.5	168.1	-64.9	-62.2	-15.1	0	0	109.2	Y269 V270 S271	Y269-Q284 HydrophobicContact CD1-CB 4.39Å; V270-Q284 PolarHBondContact O-OE1 3.35Å; S271-Q284 PolarHBondContact OG-NE2 2.96Å; S271-Q284 PolarHBondContact OG-OE1 2.9Å
285	R	90.3	Very high	84.9	Confident	27 Å²	27	54.2 Å²	54.2	10%	0.102	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	159.7	169	-66.8	-56	-154.4	-155	16.7	109.3	Y269 V270 R272 S313 D424	Y269-R285 CarbonylContact C-O 3.49Å; Y269-R285 VanDerWaalsContact CA-O 3.29Å; Y269-R285 WeakPolarHBondContact CA-O 3.41Å; V270-R285 PolarHBondContact N-O 3.45Å; V270-R285 PolarHBondContact O-N 3.02Å; R272-R285 HydrophobicContact CG-CB 4.33Å; R272-R285 HydrophobicContact CG-CG 4.04Å; R285-S313 VanDerWaalsContact CZ-OG 3.24Å; R285-S313 PolarHBondContact NH1-OG 3.34Å; R285-S313 PolarHBondContact NH2-OG 3.4Å; R285-D424 IonicContact CZ-OD1 3.61Å; R285-D424 IonicContact NH2-OD1 2.81Å; R285-D424 PolarHBondContact NH2-OD1 2.79Å; R285-D424 IonicContact NH2-OD2 2.8Å; R285-D424 PolarHBondContact NH2-OD2 2.87Å
286	V	92.5	Very high	85.4	Confident	10 Å²	10	44.4 Å²	44.4	6%	0.061	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.6	166.3	-177.7	0	0	0	0	107	L260 I267 Q268 Y269 L311 L321	L260-V286 HydrophobicContact CD1-CG1 4.07Å; L260-V286 HydrophobicContact CD2-CG1 4.21Å; L260-V286 HydrophobicContact CD2-CG2 4.1Å; I267-V286 HydrophobicContact CB-CG1 4.24Å; Q268-V286 CarbonylContact O-C 3.52Å; Q268-V286 WeakPolarHBondContact O-CA 3.29Å; Y269-V286 HydrophobicContact CD1-CG2 3.96Å; Y269-V286 HydrophobicContact CE1-CG2 3.67Å; V286-L311 HydrophobicContact CG1-CD1 4.24Å; V286-L311 PolarHBondContact O-N 2.9Å; V286-L321 HydrophobicContact CB-CD2 3.57Å; V286-L321 HydrophobicContact CG1-CD1 4.47Å; V286-L321 HydrophobicContact CG1-CD2 3.95Å; V286-L321 HydrophobicContact CG2-CD1 4.41Å; V286-L321 HydrophobicContact CG2-CD2 3.85Å
287	G	94.4	Very high	86.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.1	-179.8	0	0	0	0	0	112	I267 Q268 V309	I267-G287 CarbonylContact C-O 3.6Å; I267-G287 VanDerWaalsContact CA-O 3.23Å; I267-G287 WeakPolarHBondContact CA-O 3.27Å; Q268-G287 PolarHBondContact N-O 2.88Å; Q268-G287 PolarHBondContact O-N 3.19Å; G287-V309 CarbonylContact C-O 3.3Å; G287-V309 VanDerWaalsContact CA-O 3.3Å; G287-V309 WeakPolarHBondContact CA-O 3.45Å
288	L	93.3	Very high	87.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	118.9	171	-168.6	76.8	0	0	0	110	F229 T266 I267 L290 V293 A308 V309 L311 F324 F351	F229-L288 HydrophobicContact CD2-CD1 4.44Å; F229-L288 HydrophobicContact CE2-CD1 4.22Å; F229-L288 HydrophobicContact CZ-CD1 4.4Å; T266-L288 WeakPolarHBondContact O-CA 3.25Å; T266-L288 WeakPolarHBondContact O-CD1 3.4Å; I267-L288 HydrophobicContact CG2-CD1 3.91Å; L288-L290 HydrophobicContact CD1-CD1 4.11Å; L288-L290 HydrophobicContact CD1-CG 4.03Å; L288-L290 HydrophobicContact CD2-CD1 4.05Å; L288-L290 HydrophobicContact CD2-CG 4.3Å; L288-L290 HydrophobicContact CG-CB 4.43Å; L288-L290 HydrophobicContact CG-CD1 4.18Å; L288-L290 HydrophobicContact CG-CG 3.96Å; L288-V293 HydrophobicContact CD2-CB 4.23Å; L288-V293 HydrophobicContact CD2-CG1 3.96Å; L288-V293 HydrophobicContact CD2-CG2 3.91Å; L288-A308 WeakPolarHBondContact O-CA 3.3Å; L288-V309 PolarHBondContact N-O 3.42Å; L288-V309 PolarHBondContact O-N 2.68Å; L288-L311 HydrophobicContact CB-CD1 4.44Å; L288-L311 HydrophobicContact CB-CD2 4.17Å; L288-L311 HydrophobicContact CB-CG 4.22Å; L288-F324 HydrophobicContact CD2-CE1 4.03Å; L288-F351 HydrophobicContact CD2-CD2 3.93Å
289	T	94.1	Very high	87.6	Confident	22 Å²	22	47.7 Å²	47.7	14%	0.135	24%	0.235	C	C	.	.			trans	-100.9	9.3	-172.8	54.4	0	0	0	0	113.4	R264 N265 T266 Q268 R291 A308	R264-T289 PolarHBondContact O-OG1 2.92Å; N265-T289 PolarHBondContact O-OG1 3.46Å; T266-T289 WeakPolarHBondContact CA-OG1 3.14Å; T266-T289 PolarHBondContact N-OG1 3.23Å; T266-T289 PolarHBondContact O-N 3.41Å; T266-T289 PolarHBondContact O-OG1 3.37Å; Q268-T289 HydrophobicContact CB-CG2 4.41Å; Q268-T289 HydrophobicContact CG-CG2 3.58Å; T289-R291 PolarHBondContact O-N 3.21Å; T289-R291 VanDerWaalsContact O-N 3.15Å; T289-A308 HydrophobicContact CG2-CB 3.84Å
290	L	90.9	Very high	87.9	Confident	7 Å²	7	46.5 Å²	46.5	4%	0.037	22%	0.224	C	C	.	.			trans	-56.3	121.9	178.3	-61.7	-176.9	0	0	0	110.9	L232 T266 L288 S292 V293 V294 F351	L232-L290 HydrophobicContact CD1-CD1 4.05Å; L232-L290 HydrophobicContact CD1-CD2 4.3Å; T266-L290 HydrophobicContact CG2-CD2 4.23Å; L288-L290 HydrophobicContact CD1-CD1 4.11Å; L288-L290 HydrophobicContact CD1-CG 4.03Å; L288-L290 HydrophobicContact CD2-CD1 4.05Å; L288-L290 HydrophobicContact CD2-CG 4.3Å; L288-L290 HydrophobicContact CG-CB 4.43Å; L288-L290 HydrophobicContact CG-CD1 4.18Å; L288-L290 HydrophobicContact CG-CG 3.96Å; L290-S292 VanDerWaalsContact C-N 3.27Å; L290-S292 PolarHBondContact O-N 2.88Å; L290-S292 VanDerWaalsContact O-N 3.09Å; L290-V293 HydrophobicContact CB-CB 4.16Å; L290-V293 HydrophobicContact CB-CG2 4.02Å; L290-V293 HydrophobicContact CD1-CG2 4.37Å; L290-V293 WeakPolarHBondContact O-CA 3.36Å; L290-V293 WeakPolarHBondContact O-CB 3.45Å; L290-V293 PolarHBondContact O-N 3.01Å; L290-V294 PolarHBondContact O-N 3.29Å; L290-F351 HydrophobicContact CD1-CD2 3.7Å; L290-F351 HydrophobicContact CD1-CE2 4.03Å
291	R	88.9	Confident	88	Confident	187 Å²	187	46.2 Å²	46.2	71%	0.706	22%	0.218	S	C	*	.	H	α-helix	trans	-50.3	-41.5	-173.8	-173.2	177.5	-179.3	-157.5	-0.1	114	T289 N295	T289-R291 PolarHBondContact O-N 3.21Å; T289-R291 VanDerWaalsContact O-N 3.15Å; R291-N295 WeakPolarHBondContact O-CB 3.49Å; R291-N295 PolarHBondContact O-N 3.02Å; R291-N295 PolarHBondContact O-ND2 2.84Å; R291-N295 PolarHBondContact O-OD1 2.9Å
292	S	84.4	Confident	88.1	Confident	20 Å²	20	53 Å²	53	14%	0.14	24%	0.241	C	C	.	.	H	α-helix	trans	-65.7	-44.4	177	36	0	0	0	0	112.6	L290 N295 F296 S350 K353	L290-S292 VanDerWaalsContact C-N 3.27Å; L290-S292 PolarHBondContact O-N 2.88Å; L290-S292 VanDerWaalsContact O-N 3.09Å; S292-N295 PolarHBondContact O-N 3.31Å; S292-F296 WeakPolarHBondContact O-CB 3.42Å; S292-F296 PolarHBondContact O-N 2.7Å; S292-S350 VanDerWaalsContact CB-O 3.25Å; S292-S350 WeakPolarHBondContact CB-O 3.48Å; S292-S350 PolarHBondContact OG-O 3.12Å; S292-K353 VanDerWaalsContact CB-CE 3.43Å; S292-K353 WeakPolarHBondContact OG-CE 3.43Å
293	V	89.8	Confident	88.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.7	-47.7	179.2	175	0	0	0	0	110.4	L288 L290 F296 A297 V309 F324 L347 F351	L288-V293 HydrophobicContact CD2-CB 4.23Å; L288-V293 HydrophobicContact CD2-CG1 3.96Å; L288-V293 HydrophobicContact CD2-CG2 3.91Å; L290-V293 HydrophobicContact CB-CB 4.16Å; L290-V293 HydrophobicContact CB-CG2 4.02Å; L290-V293 HydrophobicContact CD1-CG2 4.37Å; L290-V293 WeakPolarHBondContact O-CA 3.36Å; L290-V293 WeakPolarHBondContact O-CB 3.45Å; L290-V293 PolarHBondContact O-N 3.01Å; V293-F296 PolarHBondContact O-N 3.12Å; V293-A297 WeakPolarHBondContact O-CB 3.3Å; V293-A297 PolarHBondContact O-N 3.44Å; V293-V309 HydrophobicContact CG1-CB 3.83Å; V293-V309 HydrophobicContact CG1-CG1 4.47Å; V293-V309 HydrophobicContact CG1-CG2 3.48Å; V293-V309 VanDerWaalsContact CG1-CG2 3.48Å; V293-F324 HydrophobicContact CG1-CE1 4.24Å; V293-L347 HydrophobicContact CG1-CD1 3.8Å; V293-F351 HydrophobicContact CG2-CB 3.98Å
294	V	91.9	Very high	88.4	Confident	6 Å²	6	56.4 Å²	56.4	4%	0.036	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-46.4	177.5	178.5	0	0	0	0	111.1	L290 F296 A297 R298 L306	L290-V294 PolarHBondContact O-N 3.29Å; V294-F296 VanDerWaalsContact C-N 3.33Å; V294-F296 PolarHBondContact O-N 2.92Å; V294-A297 PolarHBondContact O-N 3.03Å; V294-R298 HydrophobicContact CG1-CG 4.22Å; V294-R298 WeakPolarHBondContact O-CB 3.48Å; V294-R298 VanDerWaalsContact O-CG 3.23Å; V294-R298 WeakPolarHBondContact O-CG 3.37Å; V294-R298 PolarHBondContact O-N 3.39Å; V294-L306 WeakPolarHBondContact CG1-O 3.39Å
295	N	87.3	Confident	88.6	Confident	73 Å²	73	59.7 Å²	59.7	39%	0.39	28%	0.277	S	S	.	.	H	α-helix	trans	-61.2	-41.6	177.7	-75.4	-9.5	0	0	0	112.5	R291 S292 N299	R291-N295 WeakPolarHBondContact O-CB 3.49Å; R291-N295 PolarHBondContact O-N 3.02Å; R291-N295 PolarHBondContact O-ND2 2.84Å; R291-N295 PolarHBondContact O-OD1 2.9Å; S292-N295 PolarHBondContact O-N 3.31Å; N295-N299 PolarHBondContact O-N 3.25Å; N295-N299 VanDerWaalsContact O-N 3.17Å
296	F	85.9	Confident	88.7	Confident	20 Å²	20	60 Å²	60	9%	0.088	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-50.4	174.6	171	-89.1	0	0	0	110.8	S292 V293 V294 R298 N299 H300 G346 L347 S350 Q357	S292-F296 WeakPolarHBondContact O-CB 3.42Å; S292-F296 PolarHBondContact O-N 2.7Å; V293-F296 PolarHBondContact O-N 3.12Å; V294-F296 VanDerWaalsContact C-N 3.33Å; V294-F296 PolarHBondContact O-N 2.92Å; F296-R298 PolarHBondContact O-N 2.94Å; F296-N299 PolarHBondContact O-N 2.89Å; F296-H300 HydrophobicContact CD1-CB 4.46Å; F296-H300 HydrophobicContact CE1-CB 4.07Å; F296-H300 AromaticContact CE1-ND1 3.61Å; F296-H300 HydrophobicContact CZ-CB 4.32Å; F296-H300 AromaticContact CZ-ND1 3.36Å; F296-H300 WeakPolarHBondContact CZ-ND1 3.27Å; F296-H300 WeakPolarHBondContact O-CB 3.42Å; F296-H300 PolarHBondContact O-N 3.22Å; F296-G346 WeakPolarHBondContact CD2-O 3Å; F296-L347 HydrophobicContact CD1-CB 3.95Å; F296-L347 HydrophobicContact CD1-CD1 3.69Å; F296-L347 HydrophobicContact CD1-CG 4.45Å; F296-L347 VanDerWaalsContact CE1-CA 3.47Å; F296-L347 HydrophobicContact CE1-CB 3.54Å; F296-L347 HydrophobicContact CE1-CD1 4.02Å; F296-L347 HydrophobicContact CE1-CG 4.36Å; F296-L347 VanDerWaalsContact CE1-N 3.27Å; F296-L347 HydrophobicContact CZ-CB 4.33Å; F296-L347 VanDerWaalsContact CZ-N 3.3Å; F296-S350 WeakPolarHBondContact CB-OG 3.32Å; F296-Q357 WeakPolarHBondContact CZ-O 3.39Å
297	A	87.6	Confident	88.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-40.3	-178.4	0	0	0	0	0	112.4	V293 V294 N299 H300 F301 L306 V309	V293-A297 WeakPolarHBondContact O-CB 3.3Å; V293-A297 PolarHBondContact O-N 3.44Å; V294-A297 PolarHBondContact O-N 3.03Å; A297-N299 VanDerWaalsContact C-N 3.35Å; A297-N299 PolarHBondContact O-N 3.32Å; A297-H300 PolarHBondContact O-N 3Å; A297-F301 HydrophobicContact CB-CD2 3.98Å; A297-F301 HydrophobicContact CB-CE2 4Å; A297-F301 WeakPolarHBondContact O-CB 3.11Å; A297-F301 WeakPolarHBondContact O-CD2 2.97Å; A297-F301 PolarHBondContact O-N 3.38Å; A297-L306 HydrophobicContact CB-CD2 3.45Å; A297-L306 VanDerWaalsContact CB-CD2 3.45Å; A297-V309 HydrophobicContact CB-CG2 3.35Å
298	R	88.3	Confident	88.7	Confident	82 Å²	82	62.7 Å²	62.7	31%	0.309	30%	0.295	S	S	.	.	H	α-helix	trans	-54.5	-49.8	172.6	-74.3	175.3	173.3	166.1	-2.2	111.7	V294 F296 R302 C303 N304 L306	V294-R298 HydrophobicContact CG1-CG 4.22Å; V294-R298 WeakPolarHBondContact O-CB 3.48Å; V294-R298 VanDerWaalsContact O-CG 3.23Å; V294-R298 WeakPolarHBondContact O-CG 3.37Å; V294-R298 PolarHBondContact O-N 3.39Å; F296-R298 PolarHBondContact O-N 2.94Å; R298-R302 CarbonylContact O-C 3.51Å; R298-R302 WeakPolarHBondContact O-CA 3.37Å; R298-R302 PolarHBondContact O-N 2.94Å; R298-C303 WeakPolarHBondContact CA-O 3.24Å; R298-C303 VanDerWaalsContact CG-O 3.28Å; R298-C303 WeakPolarHBondContact CG-O 3.4Å; R298-C303 PolarHBondContact O-N 3.34Å; R298-N304 PolarHBondContact NE-O 2.9Å; R298-N304 VanDerWaalsContact NE-O 3.15Å; R298-L306 HydrophobicContact CG-CB 3.94Å; R298-L306 PolarHBondContact NE-O 2.96Å; R298-L306 PolarHBondContact NH2-O 3.32Å
299	N	81.8	Confident	88.7	Confident	124 Å²	124	63 Å²	63	66%	0.663	30%	0.296	S	S	*	.	H	α-helix	trans	-68.2	-39.7	179	-176.2	38.3	0	0	0	112.1	N295 F296 A297	N295-N299 PolarHBondContact O-N 3.25Å; N295-N299 VanDerWaalsContact O-N 3.17Å; F296-N299 PolarHBondContact O-N 2.89Å; A297-N299 VanDerWaalsContact C-N 3.35Å; A297-N299 PolarHBondContact O-N 3.32Å
300	H	81.8	Confident	88.7	Confident	22 Å²	22	62 Å²	62	10%	0.102	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-52.6	-179.1	-171.3	114.3	0	0	0	112.1	F296 A297 R302 Q357 K358 T359	F296-H300 HydrophobicContact CD1-CB 4.46Å; F296-H300 HydrophobicContact CE1-CB 4.07Å; F296-H300 AromaticContact CE1-ND1 3.61Å; F296-H300 HydrophobicContact CZ-CB 4.32Å; F296-H300 AromaticContact CZ-ND1 3.36Å; F296-H300 WeakPolarHBondContact CZ-ND1 3.27Å; F296-H300 WeakPolarHBondContact O-CB 3.42Å; F296-H300 PolarHBondContact O-N 3.22Å; A297-H300 PolarHBondContact O-N 3Å; H300-R302 VanDerWaalsContact C-N 3.32Å; H300-Q357 PolarHBondContact CE1-O 2.84Å; H300-Q357 PolarHBondContact ND1-O 3.47Å; H300-K358 VanDerWaalsContact CE1-CA 3.44Å; H300-K358 WeakPolarHBondContact CE1-CA 3.14Å; H300-T359 PolarHBondContact CE1-N 3.49Å; H300-T359 PolarHBondContact CE1-OG1 3.32Å; H300-T359 PolarHBondContact NE2-N 3.2Å; H300-T359 VanDerWaalsContact NE2-N 3.14Å; H300-T359 PolarHBondContact NE2-O 3.2Å; H300-T359 PolarHBondContact NE2-OG1 3.01Å
301	F	84.3	Confident	88.8	Confident	82 Å²	82	61.7 Å²	61.7	36%	0.36	29%	0.288	S	S	.	.	H	α-helix	trans	-85.6	-3.3	-178.7	-59.7	-57.7	0	0	0	113.3	A297 C303 L306 L328	A297-F301 HydrophobicContact CB-CD2 3.98Å; A297-F301 HydrophobicContact CB-CE2 4Å; A297-F301 WeakPolarHBondContact O-CB 3.11Å; A297-F301 WeakPolarHBondContact O-CD2 2.97Å; A297-F301 PolarHBondContact O-N 3.38Å; F301-C303 HydrophobicContact CB-CB 4.36Å; F301-C303 PolarHBondContact O-N 3.34Å; F301-L306 HydrophobicContact CD2-CD2 4.39Å; F301-L328 HydrophobicContact CZ-CB 4.29Å
302	R	82.9	Confident	89	Confident	203 Å²	203	52.8 Å²	52.8	77%	0.766	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	40.7	-173.8	-60.2	178.1	170	174.7	-4.5	112.5	R298 H300	R298-R302 CarbonylContact O-C 3.51Å; R298-R302 WeakPolarHBondContact O-CA 3.37Å; R298-R302 PolarHBondContact O-N 2.94Å; H300-R302 VanDerWaalsContact C-N 3.32Å
303	C	87.8	Confident	89	Confident	52 Å²	52	52.9 Å²	52.9	35%	0.351	26%	0.256	S	S	.	.			trans	-122.5	91.4	-178.3	-176.8	0	0	0	0	108.9	R298 F301 E305 L306	R298-C303 WeakPolarHBondContact CA-O 3.24Å; R298-C303 VanDerWaalsContact CG-O 3.28Å; R298-C303 WeakPolarHBondContact CG-O 3.4Å; R298-C303 PolarHBondContact O-N 3.34Å; F301-C303 HydrophobicContact CB-CB 4.36Å; F301-C303 PolarHBondContact O-N 3.34Å; C303-E305 PolarHBondContact O-N 2.83Å; C303-L306 HydrophobicContact CB-CB 4.42Å; C303-L306 WeakPolarHBondContact O-CB 3.45Å; C303-L306 PolarHBondContact O-N 3.31Å
304	N	90.3	Very high	88.3	Confident	135 Å²	135	55.1 Å²	55.1	72%	0.722	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-25	-176.1	-71.2	-23.1	0	0	0	113.2	R298 L306	R298-N304 PolarHBondContact NE-O 2.9Å; R298-N304 VanDerWaalsContact NE-O 3.15Å; N304-L306 VanDerWaalsContact C-N 3.29Å; N304-L306 PolarHBondContact O-N 2.95Å
305	E	91.6	Very high	87.1	Confident	181 Å²	181	56.4 Å²	56.4	85%	0.846	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.6	-179.4	-63.3	177.3	-175.4	0	0	113.2	C303 D307	C303-E305 PolarHBondContact O-N 2.83Å; E305-D307 PolarHBondContact O-N 3.49Å
306	L	91.8	Very high	86	Confident	33 Å²	33	61.1 Å²	61.1	17%	0.173	30%	0.302	C	S	.	.			trans	-55.6	123.9	-179	-171.2	74.1	0	0	0	110.7	V294 A297 R298 F301 C303 N304 A308 V309	V294-L306 WeakPolarHBondContact CG1-O 3.39Å; A297-L306 HydrophobicContact CB-CD2 3.45Å; A297-L306 VanDerWaalsContact CB-CD2 3.45Å; R298-L306 HydrophobicContact CG-CB 3.94Å; R298-L306 PolarHBondContact NE-O 2.96Å; R298-L306 PolarHBondContact NH2-O 3.32Å; F301-L306 HydrophobicContact CD2-CD2 4.39Å; C303-L306 HydrophobicContact CB-CB 4.42Å; C303-L306 WeakPolarHBondContact O-CB 3.45Å; C303-L306 PolarHBondContact O-N 3.31Å; N304-L306 VanDerWaalsContact C-N 3.29Å; N304-L306 PolarHBondContact O-N 2.95Å; L306-A308 WeakPolarHBondContact CD1-O 3.45Å; L306-A308 WeakPolarHBondContact CG-O 2.91Å; L306-V309 HydrophobicContact CD2-CG2 4.44Å
307	D	93.7	Very high	84.4	Confident	68 Å²	68	64.1 Å²	64.1	36%	0.364	34%	0.338	S	S	.	.			trans	-99.3	-25.7	-173.8	55	-0.4	0	0	0	113.4	V270 R272 E305	V270-D307 VanDerWaalsContact CG1-CG 3.48Å; V270-D307 WeakPolarHBondContact CG1-OD1 3.47Å; V270-D307 WeakPolarHBondContact CG1-OD2 3.27Å; R272-D307 IonicContact CZ-OD1 3.35Å; R272-D307 VanDerWaalsContact CZ-OD1 3.27Å; R272-D307 IonicContact NH1-OD1 3.66Å; R272-D307 PolarHBondContact NH1-OD1 2.84Å; R272-D307 IonicContact NH1-OD2 3.62Å; R272-D307 IonicContact NH2-OD1 3.19Å; R272-D307 PolarHBondContact NH2-OD1 3.14Å; E305-D307 PolarHBondContact O-N 3.49Å
308	A	94.7	Very high	82.7	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.363	C	S	.	.			trans	-155.5	161.2	179.6	0	0	0	0	0	110.7	V270 R272 L288 T289 L306	V270-A308 HydrophobicContact CG1-CB 4.36Å; V270-A308 HydrophobicContact CG2-CB 4Å; R272-A308 PolarHBondContact NH2-O 3.47Å; R272-A308 VanDerWaalsContact NH2-O 3.12Å; L288-A308 WeakPolarHBondContact O-CA 3.3Å; T289-A308 HydrophobicContact CG2-CB 3.84Å; L306-A308 WeakPolarHBondContact CD1-O 3.45Å; L306-A308 WeakPolarHBondContact CG-O 2.91Å
309	V	93.4	Very high	81.3	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.03	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.9	168.8	177.1	0	0	0	0	109	G287 L288 V293 A297 L306 L311 F324 L347	G287-V309 CarbonylContact C-O 3.3Å; G287-V309 VanDerWaalsContact CA-O 3.3Å; G287-V309 WeakPolarHBondContact CA-O 3.45Å; L288-V309 PolarHBondContact N-O 3.42Å; L288-V309 PolarHBondContact O-N 2.68Å; V293-V309 HydrophobicContact CG1-CB 3.83Å; V293-V309 HydrophobicContact CG1-CG1 4.47Å; V293-V309 HydrophobicContact CG1-CG2 3.48Å; V293-V309 VanDerWaalsContact CG1-CG2 3.48Å; A297-V309 HydrophobicContact CB-CG2 3.35Å; L306-V309 HydrophobicContact CD2-CG2 4.44Å; V309-L311 PolarHBondContact O-N 3.24Å; V309-F324 HydrophobicContact CG1-CD1 3.84Å; V309-F324 HydrophobicContact CG1-CE1 4.16Å; V309-L347 HydrophobicContact CG1-CD1 4.23Å; V309-L347 HydrophobicContact CG1-CD2 4.42Å; V309-L347 HydrophobicContact CG2-CD1 4.24Å
310	D	94	Very high	80.9	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.011	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	137.1	-176.9	-58.5	-7.1	0	0	0	110.8	R272 E325 R327 L328	R272-D310 IonicContact CZ-OD1 3.92Å; R272-D310 VanDerWaalsContact CZ-OD1 3.32Å; R272-D310 IonicContact NE-OD1 2.99Å; R272-D310 PolarHBondContact NE-OD1 2.99Å; R272-D310 IonicContact NE-OD2 3.46Å; R272-D310 PolarHBondContact NE-OD2 3.41Å; R272-D310 IonicContact NH2-OD1 2.76Å; R272-D310 PolarHBondContact NH2-OD1 2.8Å; D310-E325 HydrophobicContact CB-CB 3.74Å; D310-E325 HydrophobicContact CB-CG 4.1Å; D310-E325 VanDerWaalsContact O-CB 3.25Å; D310-E325 WeakPolarHBondContact O-CB 3.47Å; D310-E325 PolarHBondContact O-N 2.03Å; D310-R327 IonicContact OD2-NH2 3.61Å; D310-L328 HydrophobicContact CB-CD1 4.09Å
311	L	93.5	Very high	81.1	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-97.2	152.2	171.8	-65.4	170.5	0	0	0	109.7	F224 F229 I267 V286 L288 V309 S313 L321 H323 F324	F224-L311 HydrophobicContact CZ-CD2 4.47Å; F229-L311 HydrophobicContact CD2-CD1 4.49Å; F229-L311 HydrophobicContact CE2-CD1 3.71Å; F229-L311 HydrophobicContact CE2-CD2 4.43Å; I267-L311 HydrophobicContact CG2-CD1 3.98Å; V286-L311 HydrophobicContact CG1-CD1 4.24Å; V286-L311 PolarHBondContact O-N 2.9Å; L288-L311 HydrophobicContact CB-CD1 4.44Å; L288-L311 HydrophobicContact CB-CD2 4.17Å; L288-L311 HydrophobicContact CB-CG 4.22Å; V309-L311 PolarHBondContact O-N 3.24Å; L311-S313 PolarHBondContact O-N 3.11Å; L311-L321 HydrophobicContact CB-CD2 4.07Å; L311-L321 HydrophobicContact CD1-CB 4.46Å; L311-H323 WeakPolarHBondContact CA-O 3.23Å; L311-H323 WeakPolarHBondContact CD2-O 3.19Å; L311-F324 HydrophobicContact CD2-CD1 4.49Å
312	E	91.5	Very high	81.4	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-54.1	123.6	-178.9	-179.8	52.8	-120	0	0	111.5	D314 L321 H323 R326 P336	E312-D314 WeakPolarHBondContact OE1-CA 3.49Å; E312-D314 WeakPolarHBondContact OE1-CB 3.34Å; E312-D314 PolarHBondContact OE1-N 2.84Å; E312-L321 PolarHBondContact O-N 3.49Å; E312-H323 HydrophobicContact CB-CB 3.85Å; E312-H323 PolarHBondContact N-O 3.3Å; E312-R326 PolarHBondContact OE2-N 2.95Å; E312-P336 HydrophobicContact CG-CB 4.12Å; E312-P336 HydrophobicContact CG-CG 3.93Å; E312-P336 WeakPolarHBondContact OE2-CG 3.04Å
313	S	84.7	Confident	81.9	Confident	23 Å²	23	51.8 Å²	51.8	16%	0.161	30%	0.303	C	S	.	.			trans	-100.5	-17.9	-173.6	68.7	0	0	0	0	113.9	R285 L311 R320	R285-S313 VanDerWaalsContact CZ-OG 3.24Å; R285-S313 PolarHBondContact NH1-OG 3.34Å; R285-S313 PolarHBondContact NH2-OG 3.4Å; L311-S313 PolarHBondContact O-N 3.11Å; S313-R320 VanDerWaalsContact O-CD 3.26Å; S313-R320 WeakPolarHBondContact O-CD 3.04Å; S313-R320 WeakPolarHBondContact O-CG 3.49Å
314	D	75.5	Confident	82.1	Confident	47 Å²	47	49.3 Å²	49.3	25%	0.251	29%	0.286	S	S	.	.			trans	-100.4	166.4	177.9	-74.2	-40	0	0	0	112.7	E312	E312-D314 WeakPolarHBondContact OE1-CA 3.49Å; E312-D314 WeakPolarHBondContact OE1-CB 3.34Å; E312-D314 PolarHBondContact OE1-N 2.84Å
315	G	67	Low	82.2	Confident	33 Å²	33	43 Å²	43	34%	0.34	25%	0.252	S	S	.	.	S	Bend	trans	100.7	173.6	-178.4	0	0	0	0	0	115.2
316	H	63	Low	82	Confident	172 Å²	172	34.3 Å²	34.3	80%	0.796	21%	0.212	S	C	*	.	S	Bend	trans	-92.2	176.7	-179.3	-63.5	93.6	0	0	0	111.9	G318 S319	H316-G318 PolarHBondContact O-N 3.37Å; H316-S319 PolarHBondContact O-N 3.15Å
317	G	53.7	Low	81.6	Confident	82 Å²	82	35 Å²	35	85%	0.845	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	19.2	-164.2	0	0	0	0	0	120.8
318	G	52.2	Low	81.1	Confident	52 Å²	52	34 Å²	34	54%	0.536	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.4	-12	164.7	0	0	0	0	0	114.6	H316	H316-G318 PolarHBondContact O-N 3.37Å
319	S	58.6	Low	80.7	Confident	42 Å²	42	34.1 Å²	34.1	29%	0.294	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-37	-178.5	-54.8	0	0	0	0	112.8	H316 L321 S322 H323	H316-S319 PolarHBondContact O-N 3.15Å; S319-L321 PolarHBondContact O-N 3.42Å; S319-S322 PolarHBondContact O-N 3.02Å; S319-H323 PolarHBondContact O-ND1 3.34Å
320	R	72.4	Confident	80	Confident	137 Å²	137	35 Å²	35	52%	0.517	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	130	-174.5	-164.2	178.6	137	161.7	-6.5	110.6	S313 S322	S313-R320 VanDerWaalsContact O-CD 3.26Å; S313-R320 WeakPolarHBondContact O-CD 3.04Å; S313-R320 WeakPolarHBondContact O-CG 3.49Å; R320-S322 PolarHBondContact O-N 3.07Å
321	L	86.7	Confident	79.3	Confident	12 Å²	12	35.2 Å²	35.2	6%	0.063	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	-4.6	-177.2	-48.3	-177.9	0	0	0	117	Y226 F229 L260 V286 L311 E312 S319	Y226-L321 HydrophobicContact CD1-CD1 4.45Å; Y226-L321 HydrophobicContact CD2-CB 3.63Å; Y226-L321 HydrophobicContact CD2-CD1 3.7Å; Y226-L321 HydrophobicContact CD2-CG 4.31Å; Y226-L321 HydrophobicContact CE1-CD1 4.27Å; Y226-L321 HydrophobicContact CE2-CB 4.33Å; Y226-L321 HydrophobicContact CE2-CD1 3.51Å; Y226-L321 HydrophobicContact CG-CB 3.78Å; Y226-L321 HydrophobicContact CG-CD1 4.18Å; F229-L321 WeakPolarHBondContact CE2-O 3.49Å; L260-L321 HydrophobicContact CD2-CD1 4.48Å; V286-L321 HydrophobicContact CB-CD2 3.57Å; V286-L321 HydrophobicContact CG1-CD1 4.47Å; V286-L321 HydrophobicContact CG1-CD2 3.95Å; V286-L321 HydrophobicContact CG2-CD1 4.41Å; V286-L321 HydrophobicContact CG2-CD2 3.85Å; L311-L321 HydrophobicContact CB-CD2 4.07Å; L311-L321 HydrophobicContact CD1-CB 4.46Å; E312-L321 PolarHBondContact O-N 3.49Å; S319-L321 PolarHBondContact O-N 3.42Å
322	S	91.2	Very high	78.9	Confident	3 Å²	3	35.3 Å²	35.3	2%	0.021	21%	0.214	C	C	.	.	S	Bend	trans	-98.4	11.1	175.2	-68.1	0	0	0	0	113	H220 F224 Y226 S319 R320	H220-S322 PolarHBondContact CE1-O 3.32Å; H220-S322 VanDerWaalsContact CE1-O 3.27Å; F224-S322 WeakPolarHBondContact CD1-O 3.37Å; F224-S322 VanDerWaalsContact CE1-O 3.24Å; F224-S322 WeakPolarHBondContact CE1-O 3.36Å; Y226-S322 PolarHBondContact N-OG 2.96Å; S319-S322 PolarHBondContact O-N 3.02Å; R320-S322 PolarHBondContact O-N 3.07Å
323	H	93.2	Very high	78.7	Confident	8 Å²	8	35.4 Å²	35.4	4%	0.037	22%	0.215	C	C	.	.	S	Bend	trans	-137.8	158.9	176.7	-61.5	97.2	0	0	0	110.7	H216 H220 L311 E312 S319 M334 P336	H216-H323 AromaticContact CE1-CD2 3.59Å; H216-H323 AromaticContact CE1-NE2 3.34Å; H216-H323 PolarHBondContact CE1-NE2 2.93Å; H216-H323 VanDerWaalsContact CE1-NE2 3.34Å; H216-H323 AromaticContact NE2-NE2 3.5Å; H220-H323 AromaticContact CE1-CD2 3.91Å; H220-H323 AromaticContact CE1-CE1 3.86Å; H220-H323 AromaticContact CE1-NE2 3.4Å; H220-H323 PolarHBondContact CE1-NE2 2.99Å; H220-H323 AromaticContact NE2-CD2 3.97Å; H220-H323 AromaticContact NE2-CE1 3.86Å; H220-H323 AromaticContact NE2-NE2 3.18Å; H220-H323 PolarHBondContact NE2-NE2 2.79Å; H220-H323 VanDerWaalsContact NE2-NE2 3.18Å; L311-H323 WeakPolarHBondContact CA-O 3.23Å; L311-H323 WeakPolarHBondContact CD2-O 3.19Å; E312-H323 HydrophobicContact CB-CB 3.85Å; E312-H323 PolarHBondContact N-O 3.3Å; S319-H323 PolarHBondContact O-ND1 3.34Å; H323-M334 WeakPolarHBondContact CA-O 2.96Å; H323-M334 VanDerWaalsContact CB-O 3.28Å; H323-M334 WeakPolarHBondContact CB-O 3.43Å; H323-P336 HydrophobicContact CB-CB 4.02Å; H323-P336 HydrophobicContact CB-CG 4.43Å
324	F	91.9	Very high	78.9	Confident	1 Å²	1	34.3 Å²	34.3	0%	0.004	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-68.7	143.8	163.2	-67.4	-61.3	0	0	0	110	F224 L288 V293 V309 L311 R326 S329 M334 P336 L347 T348 F351	F224-F324 HydrophobicContact CE2-CD2 4.22Å; F224-F324 AromaticContact CE2-CE1 3.99Å; F224-F324 HydrophobicContact CE2-CE1 3.99Å; F224-F324 AromaticContact CE2-CE2 3.47Å; F224-F324 HydrophobicContact CE2-CE2 3.47Å; F224-F324 VanDerWaalsContact CE2-CE2 3.47Å; F224-F324 AromaticContact CE2-CZ 3.35Å; F224-F324 HydrophobicContact CE2-CZ 3.35Å; F224-F324 HydrophobicContact CZ-CD1 4.1Å; F224-F324 AromaticContact CZ-CD2 3.96Å; F224-F324 HydrophobicContact CZ-CD2 3.96Å; F224-F324 AromaticContact CZ-CE1 3.83Å; F224-F324 HydrophobicContact CZ-CE1 3.83Å; F224-F324 AromaticContact CZ-CE2 3.66Å; F224-F324 HydrophobicContact CZ-CE2 3.66Å; F224-F324 HydrophobicContact CZ-CG 4.17Å; F224-F324 AromaticContact CZ-CZ 3.61Å; F224-F324 HydrophobicContact CZ-CZ 3.61Å; L288-F324 HydrophobicContact CD2-CE1 4.03Å; V293-F324 HydrophobicContact CG1-CE1 4.24Å; V309-F324 HydrophobicContact CG1-CD1 3.84Å; V309-F324 HydrophobicContact CG1-CE1 4.16Å; L311-F324 HydrophobicContact CD2-CD1 4.49Å; F324-R326 PolarHBondContact O-N 2.99Å; F324-S329 WeakPolarHBondContact CB-OG 3.07Å; F324-M334 HydrophobicContact CD2-CB 3.9Å; F324-M334 HydrophobicContact CE2-CB 4.18Å; F324-M334 PolarHBondContact N-O 2.83Å; F324-P336 WeakPolarHBondContact O-CD 3.42Å; F324-L347 HydrophobicContact CB-CD2 4.29Å; F324-L347 HydrophobicContact CD1-CD2 3.89Å; F324-L347 HydrophobicContact CD1-CG 4.23Å; F324-L347 HydrophobicContact CD2-CD2 3.74Å; F324-L347 HydrophobicContact CD2-CG 4.03Å; F324-L347 HydrophobicContact CE1-CD1 4.25Å; F324-L347 HydrophobicContact CE1-CD2 4.11Å; F324-L347 HydrophobicContact CE1-CG 3.92Å; F324-L347 HydrophobicContact CE2-CB 4.43Å; F324-L347 HydrophobicContact CE2-CD2 3.97Å; F324-L347 HydrophobicContact CE2-CG 3.71Å; F324-L347 HydrophobicContact CG-CD2 3.7Å; F324-L347 HydrophobicContact CG-CG 4.28Å; F324-L347 HydrophobicContact CZ-CD1 4.27Å; F324-L347 HydrophobicContact CZ-CD2 4.14Å; F324-L347 HydrophobicContact CZ-CG 3.63Å; F324-T348 WeakPolarHBondContact CE2-OG1 2.99Å; F324-F351 HydrophobicContact CZ-CB 4.43Å
325	E	91.4	Very high	79.6	Confident	1 Å²	1	32 Å²	32	1%	0.005	20%	0.195	C	C	.	.			trans	-53	113.4	174.2	173.1	46.9	-117.6	0	0	109.8	D310 R327 L328 S329 H422	D310-E325 HydrophobicContact CB-CB 3.74Å; D310-E325 HydrophobicContact CB-CG 4.1Å; D310-E325 VanDerWaalsContact O-CB 3.25Å; D310-E325 WeakPolarHBondContact O-CB 3.47Å; D310-E325 PolarHBondContact O-N 2.03Å; E325-R327 HydrophobicContact CG-CB 4.07Å; E325-R327 PolarHBondContact O-N 3.26Å; E325-R327 VanDerWaalsContact O-N 3.12Å; E325-R327 VanDerWaalsContact OE1-CB 3.27Å; E325-R327 WeakPolarHBondContact OE1-CB 3.49Å; E325-R327 PolarHBondContact OE1-N 3.28Å; E325-L328 HydrophobicContact CG-CG 4.33Å; E325-L328 PolarHBondContact O-N 3.06Å; E325-S329 PolarHBondContact O-N 3.23Å; E325-S329 PolarHBondContact O-OG 2.97Å; E325-S329 VanDerWaalsContact O-OG 3.12Å; E325-H422 VanDerWaalsContact OE1-O 3.07Å
326	R	87.4	Confident	80.5	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-59.1	-34.5	-171.1	-174.9	175.6	173.3	58.4	1.6	110.7	E312 F324 L328 S329 I330 S335 P336 K337 D339 D420 H422 A423 Y428	E312-R326 PolarHBondContact OE2-N 2.95Å; F324-R326 PolarHBondContact O-N 2.99Å; R326-L328 PolarHBondContact O-N 3.15Å; R326-S329 CarbonylContact O-C 3.57Å; R326-S329 PolarHBondContact O-N 3.35Å; R326-I330 HydrophobicContact CG-CG1 4.14Å; R326-I330 WeakPolarHBondContact O-CG1 3.38Å; R326-I330 PolarHBondContact O-N 2.58Å; R326-I330 VanDerWaalsContact O-N 3.12Å; R326-S335 PolarHBondContact NH1-OG 2.99Å; R326-P336 HydrophobicContact CB-CG 3.95Å; R326-K337 PolarHBondContact NH1-O 3.26Å; R326-D339 IonicContact CZ-OD1 3.42Å; R326-D339 IonicContact CZ-OD2 3.66Å; R326-D339 IonicContact NH1-OD1 3.78Å; R326-D339 PolarHBondContact NH1-OD1 3.43Å; R326-D339 IonicContact NH1-OD2 3.59Å; R326-D339 PolarHBondContact NH1-OD2 3.44Å; R326-D339 IonicContact NH2-OD1 2.66Å; R326-D339 PolarHBondContact NH2-OD1 3.23Å; R326-D339 IonicContact NH2-OD2 3.91Å; R326-D420 IonicContact CZ-OD2 3.94Å; R326-D420 VanDerWaalsContact NE-CG 3.31Å; R326-D420 IonicContact NE-OD1 2.76Å; R326-D420 IonicContact NE-OD2 3.24Å; R326-D420 PolarHBondContact NE-OD2 3.21Å; R326-D420 IonicContact NH2-OD2 3.01Å; R326-D420 PolarHBondContact NH2-OD2 3.43Å; R326-H422 HydrophobicContact CB-CB 3.98Å; R326-H422 VanDerWaalsContact CB-O 3.25Å; R326-H422 WeakPolarHBondContact CB-O 3.42Å; R326-A423 HydrophobicContact CG-CB 4.3Å; R326-Y428 PolarHBondContact NH2-OH 2.56Å
327	R	83	Confident	81.4	Confident	46 Å²	46	26.7 Å²	26.7	17%	0.174	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-52	-32.2	177.2	-174.9	-179.2	56.4	77.9	8.5	112	D310 E325 W363 D424 C426	D310-R327 IonicContact OD2-NH2 3.61Å; E325-R327 HydrophobicContact CG-CB 4.07Å; E325-R327 PolarHBondContact O-N 3.26Å; E325-R327 VanDerWaalsContact O-N 3.12Å; E325-R327 VanDerWaalsContact OE1-CB 3.27Å; E325-R327 WeakPolarHBondContact OE1-CB 3.49Å; E325-R327 PolarHBondContact OE1-N 3.28Å; R327-W363 HydrophobicContact CB-CH2 4.25Å; R327-W363 HydrophobicContact CG-CH2 3.55Å; R327-W363 HydrophobicContact CG-CZ2 3.7Å; R327-W363 WeakPolarHBondContact O-CH2 3.48Å; R327-W363 WeakPolarHBondContact O-CZ2 3.36Å; R327-D424 IonicContact NE-OD2 3.52Å; R327-D424 PolarHBondContact NE-OD2 2.8Å; R327-C426 WeakPolarHBondContact CD-SG 3.23Å; R327-C426 HydrophobicContact CG-CB 4.29Å
328	L	84.9	Confident	82.4	Confident	48 Å²	48	23.9 Å²	23.9	25%	0.251	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-98.7	-10.3	179.9	-58.3	179.2	0	0	0	113.6	F301 D310 E325 R326	F301-L328 HydrophobicContact CZ-CB 4.29Å; D310-L328 HydrophobicContact CB-CD1 4.09Å; E325-L328 HydrophobicContact CG-CG 4.33Å; E325-L328 PolarHBondContact O-N 3.06Å; R326-L328 PolarHBondContact O-N 3.15Å
329	S	85	Confident	83.3	Confident	2 Å²	2	22.7 Å²	22.7	1%	0.014	11%	0.11	C	C	.	.			trans	-136.7	33.3	-166.6	75.6	0	0	0	0	114	F324 E325 R326 G331 E332 S335	F324-S329 WeakPolarHBondContact CB-OG 3.07Å; E325-S329 PolarHBondContact O-N 3.23Å; E325-S329 PolarHBondContact O-OG 2.97Å; E325-S329 VanDerWaalsContact O-OG 3.12Å; R326-S329 CarbonylContact O-C 3.57Å; R326-S329 PolarHBondContact O-N 3.35Å; S329-G331 PolarHBondContact O-N 3.4Å; S329-E332 WeakPolarHBondContact O-CB 3.48Å; S329-E332 PolarHBondContact O-N 2.75Å; S329-S335 WeakPolarHBondContact O-CB 3.45Å
330	I	79.9	Confident	83.7	Confident	24 Å²	24	20.9 Å²	20.9	12%	0.123	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	132.1	169.4	-69.2	161.2	0	0	0	109.6	R326 E332 P362 W363 Y428	R326-I330 HydrophobicContact CG-CG1 4.14Å; R326-I330 WeakPolarHBondContact O-CG1 3.38Å; R326-I330 PolarHBondContact O-N 2.58Å; R326-I330 VanDerWaalsContact O-N 3.12Å; I330-E332 PolarHBondContact O-N 3.16Å; I330-P362 HydrophobicContact CB-CG 4.16Å; I330-P362 HydrophobicContact CD1-CG 3.52Å; I330-P362 HydrophobicContact CG1-CG 4.42Å; I330-P362 HydrophobicContact CG2-CG 4.29Å; I330-W363 HydrophobicContact CD1-CH2 3.98Å; I330-W363 HydrophobicContact CD1-CZ3 3.82Å; I330-Y428 HydrophobicContact CD1-CD1 3.56Å; I330-Y428 HydrophobicContact CD1-CD2 4.07Å; I330-Y428 HydrophobicContact CD1-CE1 4.15Å; I330-Y428 HydrophobicContact CD1-CG 3.53Å; I330-Y428 HydrophobicContact CG2-CD2 4.46Å
331	G	78	Confident	83.2	Confident	6 Å²	6	16.3 Å²	16.3	6%	0.062	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	5.3	-175.4	0	0	0	0	0	114.8	S329 D339 A342 S343	S329-G331 PolarHBondContact O-N 3.4Å; G331-D339 PolarHBondContact N-OD2 3.4Å; G331-A342 WeakPolarHBondContact O-CA 3.21Å; G331-S343 PolarHBondContact O-N 2.99Å; G331-S343 PolarHBondContact O-OG 3.3Å
332	E	85.1	Confident	82.6	Confident	2 Å²	2	16.4 Å²	16.4	1%	0.009	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-89.6	141.6	172.2	-142.8	-66.8	138.8	0	0	110.1	S329 I330 M334 S335 S345 L347 T348	S329-E332 WeakPolarHBondContact O-CB 3.48Å; S329-E332 PolarHBondContact O-N 2.75Å; I330-E332 PolarHBondContact O-N 3.16Å; E332-M334 VanDerWaalsContact C-N 3.33Å; E332-M334 PolarHBondContact O-N 3Å; E332-M334 WeakPolarHBondContact OE2-CA 3.36Å; E332-M334 WeakPolarHBondContact OE2-CB 3.09Å; E332-M334 PolarHBondContact OE2-N 3.13Å; E332-S335 WeakPolarHBondContact O-CB 3.06Å; E332-S335 PolarHBondContact O-N 3.25Å; E332-S345 WeakPolarHBondContact CG-OG 3.46Å; E332-S345 WeakPolarHBondContact OE1-CB 3.44Å; E332-S345 PolarHBondContact OE1-N 2.88Å; E332-S345 VanDerWaalsContact OE1-N 3.16Å; E332-S345 PolarHBondContact OE1-OG 2.84Å; E332-L347 HydrophobicContact CG-CB 4.34Å; E332-L347 HydrophobicContact CG-CD2 4.38Å; E332-T348 WeakPolarHBondContact OE1-CB 3.33Å; E332-T348 PolarHBondContact OE1-N 2.78Å; E332-T348 PolarHBondContact OE1-OG1 3.27Å; E332-T348 PolarHBondContact OE2-OG1 2.79Å
333	V	87.4	Confident	81.8	Confident	2 Å²	2	18.2 Å²	18.2	1%	0.012	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-33.2	-175	77.7	0	0	0	0	114	I215 H216 S343 V344 T348	I215-V333 HydrophobicContact CB-CG2 4.44Å; I215-V333 HydrophobicContact CG2-CG2 3.82Å; H216-V333 HydrophobicContact CB-CG2 4.08Å; H216-V333 PolarHBondContact ND1-O 3.04Å; V333-S343 PolarHBondContact N-O 2.6Å; V333-V344 HydrophobicContact CB-CG2 4.07Å; V333-V344 HydrophobicContact CG1-CB 4.05Å; V333-V344 HydrophobicContact CG1-CG1 4.02Å; V333-V344 HydrophobicContact CG1-CG2 3.8Å; V333-V344 HydrophobicContact CG2-CG2 4.22Å; V333-T348 HydrophobicContact CG1-CG2 3.99Å
334	M	90.4	Very high	81	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	21.5	178.9	-58.2	-51.8	-54.3	0	0	112.2	H220 F224 H323 F324 E332 T348	H220-M334 VanDerWaalsContact CE1-CE 3.45Å; H220-M334 WeakPolarHBondContact CE1-CE 3.36Å; F224-M334 HydrophobicContact CB-CE 3.94Å; F224-M334 HydrophobicContact CD1-CE 3.83Å; F224-M334 HydrophobicContact CD2-CG 4.27Å; F224-M334 HydrophobicContact CE1-CB 4.46Å; F224-M334 HydrophobicContact CG-CE 3.93Å; F224-M334 HydrophobicContact CG-CG 4.3Å; F224-M334 HydrophobicContact CZ-CB 4.45Å; H323-M334 WeakPolarHBondContact CA-O 2.96Å; H323-M334 VanDerWaalsContact CB-O 3.28Å; H323-M334 WeakPolarHBondContact CB-O 3.43Å; F324-M334 HydrophobicContact CD2-CB 3.9Å; F324-M334 HydrophobicContact CE2-CB 4.18Å; F324-M334 PolarHBondContact N-O 2.83Å; E332-M334 VanDerWaalsContact C-N 3.33Å; E332-M334 PolarHBondContact O-N 3Å; E332-M334 WeakPolarHBondContact OE2-CA 3.36Å; E332-M334 WeakPolarHBondContact OE2-CB 3.09Å; E332-M334 PolarHBondContact OE2-N 3.13Å; M334-T348 HydrophobicContact CG-CG2 3.7Å; M334-T348 WeakPolarHBondContact CG-OG1 3.29Å
335	S	89.7	Confident	80.4	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-67	148.6	156.3	139.8	0	0	0	0	108.9	H216 R326 S329 E332 K337	H216-S335 PolarHBondContact CE1-O 3.24Å; R326-S335 PolarHBondContact NH1-OG 2.99Å; S329-S335 WeakPolarHBondContact O-CB 3.45Å; E332-S335 WeakPolarHBondContact O-CB 3.06Å; E332-S335 PolarHBondContact O-N 3.25Å; S335-K337 PolarHBondContact O-N 2.96Å; S335-K337 PolarHBondContact OG-N 2.84Å; S335-K337 PolarHBondContact OG-O 3.46Å
336	P	85.8	Confident	79.5	Confident	22 Å²	22	18.7 Å²	18.7	14%	0.143	10%	0.101	C	C	.	.	S	Bend	trans	-63.2	-12	-178.3	29.2	-39.1	0	0	0	114.3	E312 H323 F324 R326 H422	E312-P336 HydrophobicContact CG-CB 4.12Å; E312-P336 HydrophobicContact CG-CG 3.93Å; E312-P336 WeakPolarHBondContact OE2-CG 3.04Å; H323-P336 HydrophobicContact CB-CB 4.02Å; H323-P336 HydrophobicContact CB-CG 4.43Å; F324-P336 WeakPolarHBondContact O-CD 3.42Å; R326-P336 HydrophobicContact CB-CG 3.95Å; P336-H422 HydrophobicContact CB-CB 4.49Å; P336-H422 HydrophobicContact CG-CB 3.55Å
337	K	81	Confident	79.5	Confident	71 Å²	71	19.1 Å²	19.1	31%	0.309	10%	0.103	S	C	.	.	S	Bend	trans	-125.5	126.8	174.1	-171.8	176.7	176.7	-178.7	0	109.4	R326 S335 D339 D420	R326-K337 PolarHBondContact NH1-O 3.26Å; S335-K337 PolarHBondContact O-N 2.96Å; S335-K337 PolarHBondContact OG-N 2.84Å; S335-K337 PolarHBondContact OG-O 3.46Å; K337-D339 PolarHBondContact O-N 3.13Å; K337-D420 VanDerWaalsContact CD-OD2 3.23Å; K337-D420 WeakPolarHBondContact CD-OD2 3.45Å; K337-D420 IonicContact NZ-OD2 2.76Å; K337-D420 PolarHBondContact NZ-OD2 2.76Å
338	V	74.9	Confident	79.6	Confident	22 Å²	22	16.9 Å²	16.9	13%	0.133	10%	0.095	C	C	.	.			trans	-74	110.5	176.9	-177.9	0	0	0	0	108.8	R212 I213 H216 A342	R212-V338 HydrophobicContact CB-CG1 4.1Å; I213-V338 HydrophobicContact CG1-CB 4.48Å; I213-V338 HydrophobicContact CG1-CG1 4.2Å; I213-V338 HydrophobicContact CG1-CG2 4.47Å; H216-V338 HydrophobicContact CB-CG2 3.91Å; V338-A342 HydrophobicContact CG1-CB 4.03Å
339	D	71.6	Confident	79.4	Confident	27 Å²	27	16 Å²	16	14%	0.144	9%	0.09	C	C	.	.			trans	-80.9	155.1	169.7	-63.5	-61.6	0	0	0	110.2	R326 G331 K337 M341 A342	R326-D339 IonicContact CZ-OD1 3.42Å; R326-D339 IonicContact CZ-OD2 3.66Å; R326-D339 IonicContact NH1-OD1 3.78Å; R326-D339 PolarHBondContact NH1-OD1 3.43Å; R326-D339 IonicContact NH1-OD2 3.59Å; R326-D339 PolarHBondContact NH1-OD2 3.44Å; R326-D339 IonicContact NH2-OD1 2.66Å; R326-D339 PolarHBondContact NH2-OD1 3.23Å; R326-D339 IonicContact NH2-OD2 3.91Å; G331-D339 PolarHBondContact N-OD2 3.4Å; K337-D339 PolarHBondContact O-N 3.13Å; D339-M341 PolarHBondContact O-N 3Å; D339-A342 WeakPolarHBondContact O-CA 3.16Å; D339-A342 WeakPolarHBondContact O-CB 3.12Å; D339-A342 PolarHBondContact O-N 3.31Å
340	I	66.7	Low	79.3	Confident	4 Å²	4	16.3 Å²	16.3	2%	0.021	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-30.3	178.1	-61.2	-172.9	0	0	0	110.7	R212 A342 M431 N433 N441 H443	R212-I340 WeakPolarHBondContact CD-O 3.47Å; R212-I340 PolarHBondContact NE-O 3.34Å; R212-I340 VanDerWaalsContact NE-O 3.07Å; R212-I340 PolarHBondContact NH1-O 3.01Å; I340-A342 VanDerWaalsContact C-N 3.34Å; I340-M431 HydrophobicContact CB-CE 3.94Å; I340-M431 HydrophobicContact CB-SD 3.58Å; I340-M431 VanDerWaalsContact CB-SD 3.58Å; I340-M431 HydrophobicContact CD1-CE 3.63Å; I340-M431 HydrophobicContact CD1-SD 4.21Å; I340-M431 HydrophobicContact CG1-CE 4.25Å; I340-M431 HydrophobicContact CG1-SD 4.22Å; I340-M431 HydrophobicContact CG2-CE 3.94Å; I340-M431 HydrophobicContact CG2-SD 4.06Å; I340-N433 HydrophobicContact CD1-CB 3.91Å; I340-N433 WeakPolarHBondContact CD1-OD1 3.4Å; I340-N433 WeakPolarHBondContact CG1-OD1 3.3Å; I340-N441 HydrophobicContact CD1-CB 3.38Å; I340-H443 HydrophobicContact CG2-CB 4.44Å
341	M	62.9	Low	79.7	Confident	42 Å²	42	16.1 Å²	16.1	21%	0.207	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	14.1	171.6	-72.9	-51.6	102.7	0	0	114.2	D339 S343 I380 H443	D339-M341 PolarHBondContact O-N 3Å; M341-S343 PolarHBondContact O-N 3.29Å; M341-I380 HydrophobicContact CB-CB 4.05Å; M341-I380 HydrophobicContact CB-CG2 3.78Å; M341-I380 HydrophobicContact CG-CB 3.57Å; M341-I380 HydrophobicContact CG-CG2 3.91Å; M341-I380 VanDerWaalsContact CG-O 3.32Å; M341-I380 WeakPolarHBondContact CG-O 3.2Å; M341-H443 HydrophobicContact CE-CB 3.73Å; M341-H443 WeakPolarHBondContact CE-CD2 3.3Å; M341-H443 WeakPolarHBondContact CE-CE1 3.09Å; M341-H443 WeakPolarHBondContact CE-ND1 3.47Å; M341-H443 WeakPolarHBondContact CE-NE2 3.49Å; M341-H443 PolarHBondContact SD-CD2 3.25Å; M341-H443 VanDerWaalsContact SD-CE1 3.56Å; M341-H443 PolarHBondContact SD-NE2 2.81Å
342	A	74.2	Confident	79.8	Confident	14 Å²	14	18 Å²	18	12%	0.116	10%	0.097	C	C	.	.			trans	-48.4	113.2	174.2	0	0	0	0	0	109.3	G331 V338 D339 I340	G331-A342 WeakPolarHBondContact O-CA 3.21Å; V338-A342 HydrophobicContact CG1-CB 4.03Å; D339-A342 WeakPolarHBondContact O-CA 3.16Å; D339-A342 WeakPolarHBondContact O-CB 3.12Å; D339-A342 PolarHBondContact O-N 3.31Å; I340-A342 VanDerWaalsContact C-N 3.34Å
343	S	73.3	Confident	78.6	Confident	40 Å²	40	21.9 Å²	21.9	28%	0.28	11%	0.114	S	C	.	.	B	Isolated β-bridge	trans	-119.2	140.3	-178.3	63.1	0	0	0	0	107.8	G331 V333 M341 S345	G331-S343 PolarHBondContact O-N 2.99Å; G331-S343 PolarHBondContact O-OG 3.3Å; V333-S343 PolarHBondContact N-O 2.6Å; M341-S343 PolarHBondContact O-N 3.29Å; S343-S345 VanDerWaalsContact C-N 3.27Å; S343-S345 PolarHBondContact O-N 3.46Å
344	V	77	Confident	76.1	Confident	18 Å²	18	27.1 Å²	27.1	11%	0.109	14%	0.142	C	C	.	.			trans	-73.4	96.3	170.3	-166.6	0	0	0	0	106.1	F78 W79 I215 V333 T348 L349	F78-V344 HydrophobicContact CD1-CG2 3.84Å; F78-V344 HydrophobicContact CE1-CB 3.43Å; F78-V344 VanDerWaalsContact CE1-CB 3.43Å; F78-V344 HydrophobicContact CE1-CG1 3.84Å; F78-V344 HydrophobicContact CE1-CG2 3.15Å; F78-V344 HydrophobicContact CE2-CG2 4.5Å; F78-V344 HydrophobicContact CZ-CB 3.46Å; F78-V344 VanDerWaalsContact CZ-CB 3.46Å; F78-V344 HydrophobicContact CZ-CG1 4.15Å; F78-V344 HydrophobicContact CZ-CG2 3.56Å; W79-V344 HydrophobicContact CH2-CG1 4.07Å; W79-V344 HydrophobicContact CZ2-CG1 4.37Å; W79-V344 HydrophobicContact CZ3-CG1 4.5Å; I215-V344 HydrophobicContact CG2-CG2 3.45Å; I215-V344 VanDerWaalsContact CG2-CG2 3.45Å; V333-V344 HydrophobicContact CB-CG2 4.07Å; V333-V344 HydrophobicContact CG1-CB 4.05Å; V333-V344 HydrophobicContact CG1-CG1 4.02Å; V333-V344 HydrophobicContact CG1-CG2 3.8Å; V333-V344 HydrophobicContact CG2-CG2 4.22Å; V344-T348 HydrophobicContact CG1-CG2 3.72Å; V344-L349 HydrophobicContact CG1-CD2 3.64Å; V344-L349 HydrophobicContact CG1-CG 3.88Å
345	S	78.1	Confident	73.2	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.014	17%	0.174	C	C	.	.			trans	-80.7	173.5	-173.6	77.9	0	0	0	0	110.1	E332 S343 L347 T348 L349	E332-S345 WeakPolarHBondContact CG-OG 3.46Å; E332-S345 WeakPolarHBondContact OE1-CB 3.44Å; E332-S345 PolarHBondContact OE1-N 2.88Å; E332-S345 VanDerWaalsContact OE1-N 3.16Å; E332-S345 PolarHBondContact OE1-OG 2.84Å; S343-S345 VanDerWaalsContact C-N 3.27Å; S343-S345 PolarHBondContact O-N 3.46Å; S345-L347 PolarHBondContact O-N 3.09Å; S345-L347 WeakPolarHBondContact OG-CB 3.48Å; S345-L347 PolarHBondContact OG-N 2.72Å; S345-T348 PolarHBondContact O-N 3.08Å; S345-L349 WeakPolarHBondContact O-CB 3.23Å; S345-L349 WeakPolarHBondContact O-CG 3.08Å; S345-L349 PolarHBondContact O-N 3.24Å
346	G	74.4	Confident	70.1	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-58.8	-15.4	167.8	0	0	0	0	0	113.9	F296 S350 G356	F296-G346 WeakPolarHBondContact CD2-O 3Å; G346-S350 WeakPolarHBondContact O-CB 3.02Å; G346-S350 PolarHBondContact O-N 3.2Å; G346-S350 PolarHBondContact O-OG 3.22Å; G346-G356 VanDerWaalsContact CA-N 3.31Å
347	L	85.4	Confident	67.4	Low	8 Å²	8	39.3 Å²	39.3	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-72	-59.2	176	-171.8	61.5	0	0	0	111.1	V293 F296 V309 F324 E332 S345 L349 S350 F351	V293-L347 HydrophobicContact CG1-CD1 3.8Å; F296-L347 HydrophobicContact CD1-CB 3.95Å; F296-L347 HydrophobicContact CD1-CD1 3.69Å; F296-L347 HydrophobicContact CD1-CG 4.45Å; F296-L347 VanDerWaalsContact CE1-CA 3.47Å; F296-L347 HydrophobicContact CE1-CB 3.54Å; F296-L347 HydrophobicContact CE1-CD1 4.02Å; F296-L347 HydrophobicContact CE1-CG 4.36Å; F296-L347 VanDerWaalsContact CE1-N 3.27Å; F296-L347 HydrophobicContact CZ-CB 4.33Å; F296-L347 VanDerWaalsContact CZ-N 3.3Å; V309-L347 HydrophobicContact CG1-CD1 4.23Å; V309-L347 HydrophobicContact CG1-CD2 4.42Å; V309-L347 HydrophobicContact CG2-CD1 4.24Å; F324-L347 HydrophobicContact CB-CD2 4.29Å; F324-L347 HydrophobicContact CD1-CD2 3.89Å; F324-L347 HydrophobicContact CD1-CG 4.23Å; F324-L347 HydrophobicContact CD2-CD2 3.74Å; F324-L347 HydrophobicContact CD2-CG 4.03Å; F324-L347 HydrophobicContact CE1-CD1 4.25Å; F324-L347 HydrophobicContact CE1-CD2 4.11Å; F324-L347 HydrophobicContact CE1-CG 3.92Å; F324-L347 HydrophobicContact CE2-CB 4.43Å; F324-L347 HydrophobicContact CE2-CD2 3.97Å; F324-L347 HydrophobicContact CE2-CG 3.71Å; F324-L347 HydrophobicContact CG-CD2 3.7Å; F324-L347 HydrophobicContact CG-CG 4.28Å; F324-L347 HydrophobicContact CZ-CD1 4.27Å; F324-L347 HydrophobicContact CZ-CD2 4.14Å; F324-L347 HydrophobicContact CZ-CG 3.63Å; E332-L347 HydrophobicContact CG-CB 4.34Å; E332-L347 HydrophobicContact CG-CD2 4.38Å; S345-L347 PolarHBondContact O-N 3.09Å; S345-L347 WeakPolarHBondContact OG-CB 3.48Å; S345-L347 PolarHBondContact OG-N 2.72Å; L347-L349 VanDerWaalsContact C-N 3.3Å; L347-L349 PolarHBondContact O-N 3.18Å; L347-S350 WeakPolarHBondContact O-CA 3.19Å; L347-S350 WeakPolarHBondContact O-CB 3.42Å; L347-S350 PolarHBondContact O-N 3.44Å; L347-F351 PolarHBondContact O-N 3.16Å; L347-F351 VanDerWaalsContact O-N 3.11Å
348	T	86.2	Confident	64.7	Low	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.8	-44.2	173.3	-73.8	0	0	0	0	111.2	W79 F324 E332 V333 M334 V344 S345 S350 F351 F352	W79-T348 HydrophobicContact CH2-CG2 3.73Å; F324-T348 WeakPolarHBondContact CE2-OG1 2.99Å; E332-T348 WeakPolarHBondContact OE1-CB 3.33Å; E332-T348 PolarHBondContact OE1-N 2.78Å; E332-T348 PolarHBondContact OE1-OG1 3.27Å; E332-T348 PolarHBondContact OE2-OG1 2.79Å; V333-T348 HydrophobicContact CG1-CG2 3.99Å; M334-T348 HydrophobicContact CG-CG2 3.7Å; M334-T348 WeakPolarHBondContact CG-OG1 3.29Å; V344-T348 HydrophobicContact CG1-CG2 3.72Å; S345-T348 PolarHBondContact O-N 3.08Å; T348-S350 PolarHBondContact O-N 3.03Å; T348-F351 WeakPolarHBondContact O-CB 3.45Å; T348-F351 PolarHBondContact O-N 3.37Å; T348-F351 VanDerWaalsContact O-N 3.09Å; T348-F352 HydrophobicContact CG2-CD2 3.89Å; T348-F352 HydrophobicContact CG2-CE2 3.94Å; T348-F352 WeakPolarHBondContact O-CD2 3.31Å; T348-F352 PolarHBondContact O-N 3.36Å; T348-F352 VanDerWaalsContact O-N 3.08Å
349	L	80.3	Confident	62.6	Low	29 Å²	29	44 Å²	44	15%	0.152	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-24.8	175.4	-62.4	180	0	0	0	111.9	A82 I83 V344 S345 L347 F352 K353 D354	A82-L349 HydrophobicContact CB-CD2 3.91Å; I83-L349 HydrophobicContact CG2-CD2 4.43Å; V344-L349 HydrophobicContact CG1-CD2 3.64Å; V344-L349 HydrophobicContact CG1-CG 3.88Å; S345-L349 WeakPolarHBondContact O-CB 3.23Å; S345-L349 WeakPolarHBondContact O-CG 3.08Å; S345-L349 PolarHBondContact O-N 3.24Å; L347-L349 VanDerWaalsContact C-N 3.3Å; L347-L349 PolarHBondContact O-N 3.18Å; L349-F352 CarbonylContact O-C 3.57Å; L349-F352 VanDerWaalsContact O-C 3.27Å; L349-F352 PolarHBondContact O-N 2.96Å; L349-K353 CarbonylContact O-C 3.59Å; L349-K353 VanDerWaalsContact O-C 3.3Å; L349-K353 WeakPolarHBondContact O-CA 3.11Å; L349-K353 PolarHBondContact O-N 2.76Å; L349-D354 CarbonylContact C-O 3.52Å; L349-D354 WeakPolarHBondContact CB-O 3.31Å; L349-D354 PolarHBondContact O-N 2.81Å
350	S	83.4	Confident	60.7	Low	8 Å²	8	45.7 Å²	45.7	6%	0.056	26%	0.257	C	S	.	.	H	α-helix	trans	-75	-26.5	173	-69.9	0	0	0	0	113.1	S292 F296 G346 L347 T348 K353	S292-S350 VanDerWaalsContact CB-O 3.25Å; S292-S350 WeakPolarHBondContact CB-O 3.48Å; S292-S350 PolarHBondContact OG-O 3.12Å; F296-S350 WeakPolarHBondContact CB-OG 3.32Å; G346-S350 WeakPolarHBondContact O-CB 3.02Å; G346-S350 PolarHBondContact O-N 3.2Å; G346-S350 PolarHBondContact O-OG 3.22Å; L347-S350 WeakPolarHBondContact O-CA 3.19Å; L347-S350 WeakPolarHBondContact O-CB 3.42Å; L347-S350 PolarHBondContact O-N 3.44Å; T348-S350 PolarHBondContact O-N 3.03Å; S350-K353 PolarHBondContact O-N 2.99Å
351	F	88.2	Confident	59.3	Low	20 Å²	20	49.7 Å²	49.7	9%	0.088	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-46.8	166.4	173.6	-87.4	0	0	0	109.9	G223 F224 F229 L232 L288 L290 V293 F324 L347 T348 K353	G223-F351 WeakPolarHBondContact O-CZ 3.49Å; F224-F351 HydrophobicContact CB-CD1 4.41Å; F224-F351 HydrophobicContact CB-CE1 3.96Å; F224-F351 HydrophobicContact CB-CZ 4.3Å; F224-F351 HydrophobicContact CD2-CB 4.11Å; F224-F351 AromaticContact CD2-CD1 3.49Å; F224-F351 HydrophobicContact CD2-CD1 3.49Å; F224-F351 VanDerWaalsContact CD2-CD1 3.49Å; F224-F351 AromaticContact CD2-CD2 3.77Å; F224-F351 HydrophobicContact CD2-CD2 3.77Å; F224-F351 AromaticContact CD2-CE1 3.74Å; F224-F351 HydrophobicContact CD2-CE1 3.74Å; F224-F351 HydrophobicContact CD2-CE2 4.01Å; F224-F351 AromaticContact CD2-CG 3.51Å; F224-F351 HydrophobicContact CD2-CG 3.51Å; F224-F351 AromaticContact CD2-CZ 4Å; F224-F351 HydrophobicContact CD2-CZ 4Å; F224-F351 HydrophobicContact CE2-CB 4Å; F224-F351 HydrophobicContact CE2-CD1 4.18Å; F224-F351 AromaticContact CE2-CD2 3.73Å; F224-F351 HydrophobicContact CE2-CD2 3.73Å; F224-F351 HydrophobicContact CE2-CE2 4.24Å; F224-F351 AromaticContact CE2-CG 3.71Å; F224-F351 HydrophobicContact CE2-CG 3.71Å; F224-F351 HydrophobicContact CG-CD1 4.37Å; F224-F351 HydrophobicContact CG-CE1 4.21Å; F224-F351 HydrophobicContact CG-CZ 4.34Å; F229-F351 HydrophobicContact CD1-CE2 4.09Å; F229-F351 HydrophobicContact CD1-CZ 4.31Å; F229-F351 AromaticContact CE1-CE2 3.61Å; F229-F351 HydrophobicContact CE1-CE2 3.61Å; F229-F351 AromaticContact CE1-CZ 3.89Å; F229-F351 HydrophobicContact CE1-CZ 3.89Å; F229-F351 HydrophobicContact CZ-CE2 4.41Å; L232-F351 HydrophobicContact CD1-CE2 4.04Å; L232-F351 HydrophobicContact CD1-CZ 4.37Å; L232-F351 HydrophobicContact CD2-CZ 4.18Å; L288-F351 HydrophobicContact CD2-CD2 3.93Å; L290-F351 HydrophobicContact CD1-CD2 3.7Å; L290-F351 HydrophobicContact CD1-CE2 4.03Å; V293-F351 HydrophobicContact CG2-CB 3.98Å; F324-F351 HydrophobicContact CZ-CB 4.43Å; L347-F351 PolarHBondContact O-N 3.16Å; L347-F351 VanDerWaalsContact O-N 3.11Å; T348-F351 WeakPolarHBondContact O-CB 3.45Å; T348-F351 PolarHBondContact O-N 3.37Å; T348-F351 VanDerWaalsContact O-N 3.09Å; F351-K353 VanDerWaalsContact C-N 3.27Å; F351-K353 PolarHBondContact O-N 3.19Å
352	F	79.5	Confident	59	Low	46 Å²	46	48.4 Å²	48.4	20%	0.202	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-2.6	174.9	-65.3	-69.7	0	0	0	114.8	W79 I83 F222 F224 T348 L349	W79-F352 AromaticContact CH2-CD2 3.72Å; W79-F352 HydrophobicContact CH2-CD2 3.72Å; W79-F352 AromaticContact CH2-CE2 3.53Å; W79-F352 HydrophobicContact CH2-CE2 3.53Å; W79-F352 HydrophobicContact CH2-CZ 4.4Å; W79-F352 AromaticContact CZ3-CD2 3.6Å; W79-F352 HydrophobicContact CZ3-CD2 3.6Å; W79-F352 AromaticContact CZ3-CE2 3.79Å; W79-F352 HydrophobicContact CZ3-CE2 3.79Å; W79-F352 HydrophobicContact CZ3-CG 4.23Å; I83-F352 HydrophobicContact CD1-CD1 4.4Å; I83-F352 HydrophobicContact CG2-CB 3.63Å; I83-F352 HydrophobicContact CG2-CG 4.26Å; F222-F352 HydrophobicContact CB-CE1 3.93Å; F222-F352 HydrophobicContact CB-CZ 4.1Å; F224-F352 HydrophobicContact CB-CE2 4.36Å; F224-F352 HydrophobicContact CB-CZ 4.03Å; T348-F352 HydrophobicContact CG2-CD2 3.89Å; T348-F352 HydrophobicContact CG2-CE2 3.94Å; T348-F352 WeakPolarHBondContact O-CD2 3.31Å; T348-F352 PolarHBondContact O-N 3.36Å; T348-F352 VanDerWaalsContact O-N 3.08Å; L349-F352 CarbonylContact O-C 3.57Å; L349-F352 VanDerWaalsContact O-C 3.27Å; L349-F352 PolarHBondContact O-N 2.96Å
353	K	60.8	Low	58.4	Low	84 Å²	84	52.6 Å²	52.6	37%	0.365	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	72.3	179.9	-135.5	176.6	-163.1	-177.5	0	119.2	D235 S292 L349 S350 F351	D235-K353 WeakPolarHBondContact OD1-CD 3.25Å; D235-K353 IonicContact OD1-NZ 2.79Å; D235-K353 PolarHBondContact OD1-NZ 3.02Å; D235-K353 IonicContact OD2-NZ 2.59Å; D235-K353 PolarHBondContact OD2-NZ 2.8Å; S292-K353 VanDerWaalsContact CB-CE 3.43Å; S292-K353 WeakPolarHBondContact OG-CE 3.43Å; L349-K353 CarbonylContact O-C 3.59Å; L349-K353 VanDerWaalsContact O-C 3.3Å; L349-K353 WeakPolarHBondContact O-CA 3.11Å; L349-K353 PolarHBondContact O-N 2.76Å; S350-K353 PolarHBondContact O-N 2.99Å; F351-K353 VanDerWaalsContact C-N 3.27Å; F351-K353 PolarHBondContact O-N 3.19Å
354	D	34.9	Very low	58.1	Low	111 Å²	111	51.6 Å²	51.6	59%	0.594	29%	0.286	S	S	*	.			trans	-159.2	171.5	134.7	-134.6	-9.7	0	0	0	115.2	L349	L349-D354 CarbonylContact C-O 3.52Å; L349-D354 WeakPolarHBondContact CB-O 3.31Å; L349-D354 PolarHBondContact O-N 2.81Å
355	T	29.2	Very low	57.6	Low	109 Å²	109	55.6 Å²	55.6	67%	0.669	31%	0.307	S	S	*	.			trans	-54.3	135.9	-154	64	0	0	0	0	123.1
356	G	25.2	Very low	57.2	Low	45 Å²	45	59.2 Å²	59.2	46%	0.464	32%	0.324	S	S	.	.				80.1	88.4	110	0	0	0	0	0	122	G346	G346-G356 VanDerWaalsContact CA-N 3.31Å
357	Q	28.3	Very low	56.7	Low	124 Å²	124	59.9 Å²	59.9	58%	0.579	33%	0.328	S	S	*	.			trans	-145.1	144.7	152.1	-105.3	-178.7	11.7	0	0	112.4	F296 H300	F296-Q357 WeakPolarHBondContact CZ-O 3.39Å; H300-Q357 PolarHBondContact CE1-O 2.84Å; H300-Q357 PolarHBondContact ND1-O 3.47Å
358	K	24.5	Very low	55.8	Low	144 Å²	144	63.2 Å²	63.2	63%	0.626	35%	0.345	S	S	*	.			trans	-84.7	132.9	174.2	-76.9	-178.2	176.3	177.7	0	110	H300	H300-K358 VanDerWaalsContact CE1-CA 3.44Å; H300-K358 WeakPolarHBondContact CE1-CA 3.14Å
359	T	30.4	Very low	54.7	Low	48 Å²	48	67.2 Å²	67.2	29%	0.294	37%	0.369	S	S	.	.			trans	-114.7	123	168.4	39.7	0	0	0	0	106.3	H300	H300-T359 PolarHBondContact CE1-N 3.49Å; H300-T359 PolarHBondContact CE1-OG1 3.32Å; H300-T359 PolarHBondContact NE2-N 3.2Å; H300-T359 VanDerWaalsContact NE2-N 3.14Å; H300-T359 PolarHBondContact NE2-O 3.2Å; H300-T359 PolarHBondContact NE2-OG1 3.01Å
360	A	32	Very low	53.2	Low	62 Å²	62	76.7 Å²	76.7	51%	0.512	41%	0.409	S	S	.	.			trans	-75.3	148.5	-178.4	0	0	0	0	0	110.4	H379	A360-H379 HydrophobicContact CB-CB 3.9Å
361	S	38.1	Very low	51.7	Low	88 Å²	88	85.7 Å²	85.7	62%	0.615	45%	0.447	S	S	*	.			trans	-61.9	130	178.3	-174	0	0	0	0	111.4	W363	S361-W363 PolarHBondContact OG-NE1 3.19Å
362	P	55.3	Low	50.2	Low	15 Å²	15	86.3 Å²	86.3	10%	0.097	45%	0.454	C	S	.	.			trans	-106.1	13.1	-169.9	40.2	-35.6	0	0	0	114.8	I330 Y428 M429	I330-P362 HydrophobicContact CB-CG 4.16Å; I330-P362 HydrophobicContact CD1-CG 3.52Å; I330-P362 HydrophobicContact CG1-CG 4.42Å; I330-P362 HydrophobicContact CG2-CG 4.29Å; P362-Y428 VanDerWaalsContact O-CA 3.31Å; P362-Y428 WeakPolarHBondContact O-CA 2.99Å; P362-Y428 WeakPolarHBondContact O-CB 3.25Å; P362-M429 PolarHBondContact O-N 3.22Å
363	W	62.8	Low	49.6	Very low	103 Å²	103	85.3 Å²	85.3	39%	0.39	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-71	147.6	-168	-51.8	125.4	0	0	0	114	R327 I330 S361 C426 P427 Y428	R327-W363 HydrophobicContact CB-CH2 4.25Å; R327-W363 HydrophobicContact CG-CH2 3.55Å; R327-W363 HydrophobicContact CG-CZ2 3.7Å; R327-W363 WeakPolarHBondContact O-CH2 3.48Å; R327-W363 WeakPolarHBondContact O-CZ2 3.36Å; I330-W363 HydrophobicContact CD1-CH2 3.98Å; I330-W363 HydrophobicContact CD1-CZ3 3.82Å; S361-W363 PolarHBondContact OG-NE1 3.19Å; W363-C426 HydrophobicContact CE3-CB 3.79Å; W363-C426 HydrophobicContact CH2-CB 3.5Å; W363-C426 VanDerWaalsContact CH2-CB 3.5Å; W363-C426 HydrophobicContact CZ2-CB 4.32Å; W363-C426 HydrophobicContact CZ3-CB 3.18Å; W363-P427 WeakPolarHBondContact CA-O 3.41Å; W363-Y428 HydrophobicContact CZ3-CD1 4.45Å
364	C	67	Low	50.4	Low	19 Å²	19	84.7 Å²	84.7	13%	0.128	46%	0.456	C	S	.	.			trans	-139.5	164.9	178.6	62.2	0	0	0	0	111	C386 P427 Y428 M429	C364-C386 HydrophobicContact CB-CB 3.72Å; C364-C386 WeakPolarHBondContact CB-SG 3.18Å; C364-C386 WeakPolarHBondContact SG-CA 3.26Å; C364-C386 WeakPolarHBondContact SG-CB 3.12Å; C364-C386 CovalentContact SG-SG 2.02Å; C364-C386 PolarHBondContact SG-SG 2.93Å; C364-P427 PolarHBondContact N-O 3.14Å; C364-P427 VanDerWaalsContact O-CB 3.24Å; C364-P427 WeakPolarHBondContact O-CB 3.09Å; C364-P427 WeakPolarHBondContact O-CG 3.24Å; C364-Y428 VanDerWaalsContact SG-CA 3.59Å; C364-Y428 PolarHBondContact SG-O 2.8Å; C364-Y428 VanDerWaalsContact SG-O 3.41Å; C364-M429 HydrophobicContact CB-CG 3.99Å; C364-M429 HydrophobicContact CB-SD 3.83Å
365	N	66	Low	52.8	Low	101 Å²	101	84.8 Å²	84.8	54%	0.54	45%	0.448	S	S	.	.			trans	-136.7	13.3	-174.2	64.4	-16.1	0	0	0	114.7	F402	N365-F402 HydrophobicContact CB-CE1 3.88Å
366	E	70.2	Confident	55.4	Low	79 Å²	79	80.3 Å²	80.3	37%	0.369	42%	0.421	S	S	.	.			trans	-105.3	117.6	180	-71.9	-178.2	-168.6	0	0	110.9	R375 C386	E366-R375 IonicContact OE1-CZ 3.06Å; E366-R375 IonicContact OE1-NH1 2.65Å; E366-R375 IonicContact OE1-NH2 3.32Å; E366-R375 PolarHBondContact OE1-NH2 2.96Å; E366-R375 IonicContact OE2-CZ 3.65Å; E366-R375 IonicContact OE2-NH2 2.99Å; E366-R375 PolarHBondContact OE2-NH2 3.39Å; E366-C386 VanDerWaalsContact O-CB 3.23Å; E366-C386 WeakPolarHBondContact O-CB 3.29Å; E366-C386 PolarHBondContact O-SG 3.01Å
367	P	62.9	Low	58	Low	15 Å²	15	78.2 Å²	78.2	10%	0.097	40%	0.4	C	S	.	.			trans	-64.5	142.4	179.7	-21.1	31.2	0	0	0	112.4	T369 S372 L388 L405 V408 F416	P367-T369 PolarHBondContact O-N 2.01Å; P367-T369 VanDerWaalsContact O-N 3.09Å; P367-S372 PolarHBondContact O-OG 3.27Å; P367-L388 HydrophobicContact CB-CD2 4.2Å; P367-L388 HydrophobicContact CB-CG 4.19Å; P367-L388 HydrophobicContact CG-CD2 3.77Å; P367-L388 HydrophobicContact CG-CG 4.24Å; P367-L405 HydrophobicContact CG-CD1 4.49Å; P367-L405 HydrophobicContact CG-CD2 4.15Å; P367-V408 HydrophobicContact CG-CG2 4.29Å; P367-F416 HydrophobicContact CB-CD1 4.46Å; P367-F416 HydrophobicContact CB-CE1 4.36Å
368	I	66.5	Low	60	Low	78 Å²	78	76.7 Å²	76.7	40%	0.4	40%	0.4	S	S	.	.			trans	-59.3	116.1	171.8	-64.2	-176.5	0	0	0	109.4	V385 C386 L388 V389	I368-V385 HydrophobicContact CD1-CG2 4.06Å; I368-C386 VanDerWaalsContact CD1-O 3.23Å; I368-C386 WeakPolarHBondContact CD1-O 3.49Å; I368-C386 WeakPolarHBondContact CG1-O 3.45Å; I368-L388 PolarHBondContact N-O 2.89Å; I368-V389 HydrophobicContact CB-CG1 4.37Å; I368-V389 HydrophobicContact CD1-CG1 4Å; I368-V389 HydrophobicContact CG1-CG1 4.36Å
369	T	62.2	Low	62	Low	83 Å²	83	73.5 Å²	73.5	51%	0.509	39%	0.388	S	S	.	.			trans	-128.3	165.5	170	61.4	0	0	0	0	109.5	P367 K371 S372	P367-T369 PolarHBondContact O-N 2.01Å; P367-T369 VanDerWaalsContact O-N 3.09Å; T369-K371 PolarHBondContact O-N 2.86Å; T369-S372 PolarHBondContact N-OG 3.27Å; T369-S372 WeakPolarHBondContact O-CB 3.45Å; T369-S372 PolarHBondContact O-N 3.24Å; T369-S372 PolarHBondContact O-OG 3.44Å; T369-S372 PolarHBondContact OG1-N 2.81Å; T369-S372 PolarHBondContact OG1-OG 3.13Å
370	K	50.6	Low	63.9	Low	228 Å²	228	72.4 Å²	72.4	99%	0.991	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-16.6	173	-71	-175.1	178.3	-179	0	113.8
371	K	51.4	Low	66.4	Low	198 Å²	198	70.5 Å²	70.5	86%	0.861	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-0.3	178.5	-66.9	-174.9	178.4	-179.4	0	113.7	T369 G373	T369-K371 PolarHBondContact O-N 2.86Å; K371-G373 PolarHBondContact O-N 3.01Å
372	S	57.5	Low	68.7	Low	33 Å²	33	66.3 Å²	66.3	23%	0.231	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-66.8	123.4	-178.9	-63.7	0	0	0	0	110.4	P367 T369 I374	P367-S372 PolarHBondContact O-OG 3.27Å; T369-S372 PolarHBondContact N-OG 3.27Å; T369-S372 WeakPolarHBondContact O-CB 3.45Å; T369-S372 PolarHBondContact O-N 3.24Å; T369-S372 PolarHBondContact O-OG 3.44Å; T369-S372 PolarHBondContact OG1-N 2.81Å; T369-S372 PolarHBondContact OG1-OG 3.13Å; S372-I374 PolarHBondContact O-N 3.45Å
373	G	65	Low	70.2	Confident	24 Å²	24	66 Å²	66	25%	0.247	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-69	120.8	-176.1	0	0	0	0	0	110.1	K371 R375	K371-G373 PolarHBondContact O-N 3.01Å; G373-R375 WeakPolarHBondContact O-CG 3.22Å; G373-R375 PolarHBondContact O-N 3.45Å
374	I	79.5	Confident	71.2	Confident	71 Å²	71	61.1 Å²	61.1	36%	0.364	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-57	123.5	160	-63.2	172.8	0	0	0	106.6	S372 Y383 G384 V385 F432 S485	S372-I374 PolarHBondContact O-N 3.45Å; I374-Y383 HydrophobicContact CG2-CD2 3.82Å; I374-Y383 HydrophobicContact CG2-CG 4.34Å; I374-G384 CarbonylContact C-O 3.59Å; I374-G384 WeakPolarHBondContact CA-O 3.04Å; I374-V385 HydrophobicContact CG1-CG1 3.96Å; I374-F432 HydrophobicContact CD1-CE2 3.9Å; I374-F432 HydrophobicContact CD1-CZ 4.01Å; I374-F432 HydrophobicContact CG1-CE2 3.96Å; I374-F432 HydrophobicContact CG1-CZ 3.98Å; I374-F432 HydrophobicContact CG2-CE2 3.9Å; I374-S485 PolarHBondContact O-OG 2.96Å
375	R	83.4	Confident	71.9	Confident	113 Å²	113	61.4 Å²	61.4	43%	0.426	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	152.8	-179.1	-65.3	-178.1	-161.4	-160.7	9.1	110.4	E366 G373 Y383 G384 M429 S485	E366-R375 IonicContact OE1-CZ 3.06Å; E366-R375 IonicContact OE1-NH1 2.65Å; E366-R375 IonicContact OE1-NH2 3.32Å; E366-R375 PolarHBondContact OE1-NH2 2.96Å; E366-R375 IonicContact OE2-CZ 3.65Å; E366-R375 IonicContact OE2-NH2 2.99Å; E366-R375 PolarHBondContact OE2-NH2 3.39Å; G373-R375 WeakPolarHBondContact O-CG 3.22Å; G373-R375 PolarHBondContact O-N 3.45Å; R375-Y383 CarbonylContact O-C 3.55Å; R375-Y383 WeakPolarHBondContact O-CA 3.44Å; R375-G384 PolarHBondContact N-O 3.32Å; R375-G384 PolarHBondContact O-N 3.29Å; R375-M429 HydrophobicContact CB-CE 3.97Å; R375-S485 WeakPolarHBondContact CA-OG 3.37Å
376	C	85.6	Confident	72.6	Confident	15 Å²	15	57.1 Å²	57.1	10%	0.101	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	144	165.3	-77.7	0	0	0	0	111.3	P378 C468 F469 N470 S485	C376-P378 WeakPolarHBondContact O-CD 3.23Å; C376-C468 WeakPolarHBondContact CA-SG 3.37Å; C376-C468 HydrophobicContact CB-CB 3.79Å; C376-C468 WeakPolarHBondContact CB-SG 3.22Å; C376-C468 VanDerWaalsContact SG-CA 3.56Å; C376-C468 WeakPolarHBondContact SG-CB 3.19Å; C376-C468 CovalentContact SG-SG 2.03Å; C376-C468 PolarHBondContact SG-SG 2.97Å; C376-F469 WeakPolarHBondContact SG-CA 3.38Å; C376-F469 PolarHBondContact SG-N 3.1Å; C376-F469 PolarHBondContact SG-O 3.1Å; C376-N470 PolarHBondContact N-OD1 3.2Å; C376-S485 PolarHBondContact N-OG 3.23Å; C376-S485 VanDerWaalsContact N-OG 3.11Å
377	I	79.8	Confident	73	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	89.8	179.3	-47	174.6	0	0	0	105.6	H379 I380 N381 A382 M429 M431	I377-H379 VanDerWaalsContact C-N 3.28Å; I377-H379 WeakPolarHBondContact CG2-CE1 3.2Å; I377-H379 PolarHBondContact O-N 2.95Å; I377-I380 HydrophobicContact CB-CD1 4.04Å; I377-I380 HydrophobicContact CB-CG1 3.64Å; I377-I380 HydrophobicContact CD1-CD1 3.88Å; I377-I380 HydrophobicContact CD1-CG1 4.45Å; I377-I380 HydrophobicContact CG2-CD1 3.88Å; I377-I380 HydrophobicContact CG2-CG1 3.48Å; I377-I380 VanDerWaalsContact CG2-CG1 3.48Å; I377-I380 PolarHBondContact O-N 3.4Å; I377-N381 PolarHBondContact O-N 3.28Å; I377-A382 WeakPolarHBondContact CA-O 3.48Å; I377-A382 WeakPolarHBondContact CB-O 3.43Å; I377-A382 PolarHBondContact N-O 3.01Å; I377-M429 HydrophobicContact CD1-CB 3.77Å; I377-M429 HydrophobicContact CD1-CE 4.35Å; I377-M429 HydrophobicContact CG1-CB 3.88Å; I377-M429 HydrophobicContact CG1-CE 3.95Å; I377-M429 HydrophobicContact CG2-CB 3.9Å; I377-M431 HydrophobicContact CD1-CB 4.27Å
378	P	69.5	Low	73.8	Confident	91 Å²	91	52.7 Å²	52.7	59%	0.591	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-57	-40.7	-166.3	-27.7	35.5	0	0	0	113.2	C376 I380 N381	C376-P378 WeakPolarHBondContact O-CD 3.23Å; P378-I380 VanDerWaalsContact C-N 3.31Å; P378-I380 PolarHBondContact O-N 3.42Å; P378-N381 PolarHBondContact O-N 3.16Å
379	H	66.1	Low	74.6	Confident	78 Å²	78	50.7 Å²	50.7	36%	0.361	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-69.2	-24.1	-174.3	63.9	-92.7	0	0	0	114.4	A360 I377	A360-H379 HydrophobicContact CB-CB 3.9Å; I377-H379 VanDerWaalsContact C-N 3.28Å; I377-H379 WeakPolarHBondContact CG2-CE1 3.2Å; I377-H379 PolarHBondContact O-N 2.95Å
380	I	71.6	Confident	75.8	Confident	24 Å²	24	49.6 Å²	49.6	12%	0.123	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-109.3	2.7	173.3	57.5	169.9	0	0	0	112.9	M341 I377 P378 A382 M431 H443	M341-I380 HydrophobicContact CB-CB 4.05Å; M341-I380 HydrophobicContact CB-CG2 3.78Å; M341-I380 HydrophobicContact CG-CB 3.57Å; M341-I380 HydrophobicContact CG-CG2 3.91Å; M341-I380 VanDerWaalsContact CG-O 3.32Å; M341-I380 WeakPolarHBondContact CG-O 3.2Å; I377-I380 HydrophobicContact CB-CD1 4.04Å; I377-I380 HydrophobicContact CB-CG1 3.64Å; I377-I380 HydrophobicContact CD1-CD1 3.88Å; I377-I380 HydrophobicContact CD1-CG1 4.45Å; I377-I380 HydrophobicContact CG2-CD1 3.88Å; I377-I380 HydrophobicContact CG2-CG1 3.48Å; I377-I380 VanDerWaalsContact CG2-CG1 3.48Å; I377-I380 PolarHBondContact O-N 3.4Å; P378-I380 VanDerWaalsContact C-N 3.31Å; P378-I380 PolarHBondContact O-N 3.42Å; I380-A382 VanDerWaalsContact C-N 3.3Å; I380-A382 HydrophobicContact CD1-CB 4.16Å; I380-A382 HydrophobicContact CG1-CB 4.16Å; I380-A382 PolarHBondContact O-N 2.76Å; I380-M431 HydrophobicContact CD1-CB 3.88Å; I380-M431 HydrophobicContact CD1-CG 4.09Å; I380-M431 HydrophobicContact CD1-SD 4.23Å; I380-H443 PolarHBondContact O-CD2 2.04Å; I380-H443 PolarHBondContact O-NE2 3.08Å
381	N	84.4	Confident	77.4	Confident	22 Å²	22	40.3 Å²	40.3	12%	0.118	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	42.9	179.6	-172	37.5	0	0	0	114.5	I377 P378 H443 C444 G445 S466 R467 C468	I377-N381 PolarHBondContact O-N 3.28Å; P378-N381 PolarHBondContact O-N 3.16Å; N381-H443 PolarHBondContact O-CD2 2.86Å; N381-C444 WeakPolarHBondContact O-CB 3.3Å; N381-C444 PolarHBondContact O-N 2.99Å; N381-G445 PolarHBondContact ND2-N 3.26Å; N381-S466 PolarHBondContact ND2-O 2.74Å; N381-S466 VanDerWaalsContact ND2-O 3.16Å; N381-R467 WeakPolarHBondContact OD1-CA 3.44Å; N381-R467 VanDerWaalsContact OD1-CD 3.26Å; N381-R467 WeakPolarHBondContact OD1-CD 3.46Å; N381-C468 PolarHBondContact OD1-N 3.07Å
382	A	85.8	Confident	79.1	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	158.8	-179.2	0	0	0	0	0	110.4	I377 I380 M431 S442 H443 C468	I377-A382 WeakPolarHBondContact CA-O 3.48Å; I377-A382 WeakPolarHBondContact CB-O 3.43Å; I377-A382 PolarHBondContact N-O 3.01Å; I380-A382 VanDerWaalsContact C-N 3.3Å; I380-A382 HydrophobicContact CD1-CB 4.16Å; I380-A382 HydrophobicContact CG1-CB 4.16Å; I380-A382 PolarHBondContact O-N 2.76Å; A382-M431 HydrophobicContact CB-CB 3.78Å; A382-M431 HydrophobicContact CB-CE 4.02Å; A382-M431 HydrophobicContact CB-SD 3.9Å; A382-S442 WeakPolarHBondContact CA-O 3.33Å; A382-S442 WeakPolarHBondContact CB-O 3.45Å; A382-H443 HydrophobicContact CB-CB 4.26Å; A382-C468 PolarHBondContact O-SG 3.01Å; A382-C468 VanDerWaalsContact O-SG 3.34Å
383	Y	87.2	Confident	80.5	Confident	10 Å²	10	36 Å²	36	4%	0.039	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	150.6	166.6	56.5	-89.8	0	0	0	110.7	I374 R375 F432 V435 S442 Y462 C468	I374-Y383 HydrophobicContact CG2-CD2 3.82Å; I374-Y383 HydrophobicContact CG2-CG 4.34Å; R375-Y383 CarbonylContact O-C 3.55Å; R375-Y383 WeakPolarHBondContact O-CA 3.44Å; Y383-F432 AromaticContact CD2-CD2 3.82Å; Y383-F432 HydrophobicContact CD2-CD2 3.82Å; Y383-F432 HydrophobicContact CD2-CE2 4.12Å; Y383-F432 AromaticContact CE2-CD2 3.97Å; Y383-F432 HydrophobicContact CE2-CD2 3.97Å; Y383-F432 HydrophobicContact CE2-CE2 4.49Å; Y383-V435 HydrophobicContact CE2-CG2 4.3Å; Y383-S442 WeakPolarHBondContact CD1-O 3.49Å; Y383-S442 VanDerWaalsContact CD2-CB 3.44Å; Y383-S442 WeakPolarHBondContact CE1-O 3.07Å; Y383-S442 PolarHBondContact N-O 2.85Å; Y383-S442 WeakPolarHBondContact O-CB 3.49Å; Y383-S442 PolarHBondContact O-OG 3.27Å; Y383-Y462 PolarHBondContact OH-OH 3.19Å; Y383-C468 PolarHBondContact N-SG 3.44Å; Y383-C468 VanDerWaalsContact N-SG 3.38Å
384	G	82.8	Confident	81.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	-163.7	-176.1	0	0	0	0	0	113.1	I374 R375 S430	I374-G384 CarbonylContact C-O 3.59Å; I374-G384 WeakPolarHBondContact CA-O 3.04Å; R375-G384 PolarHBondContact N-O 3.32Å; R375-G384 PolarHBondContact O-N 3.29Å; G384-S430 CarbonylContact C-O 3.53Å; G384-S430 WeakPolarHBondContact CA-O 2.98Å
385	V	83.1	Confident	81.8	Confident	24 Å²	24	35.6 Å²	35.6	15%	0.145	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152	-175.4	-69.2	0	0	0	0	110.2	I368 I374 N387 S430 F432	I368-V385 HydrophobicContact CD1-CG2 4.06Å; I374-V385 HydrophobicContact CG1-CG1 3.96Å; V385-N387 PolarHBondContact O-N 3.06Å; V385-S430 PolarHBondContact N-O 3.34Å; V385-S430 PolarHBondContact O-N 3.34Å; V385-F432 HydrophobicContact CB-CZ 4.42Å; V385-F432 HydrophobicContact CG1-CE1 4.27Å; V385-F432 HydrophobicContact CG1-CE2 4.23Å; V385-F432 HydrophobicContact CG1-CZ 3.53Å; V385-F432 HydrophobicContact CG2-CE1 4.06Å; V385-F432 HydrophobicContact CG2-CZ 4.11Å
386	C	78.8	Confident	81.7	Confident	12 Å²	12	36.2 Å²	36.2	8%	0.081	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	126.4	168.4	-174.3	0	0	0	0	108.6	C364 E366 I368 L388 M429	C364-C386 HydrophobicContact CB-CB 3.72Å; C364-C386 WeakPolarHBondContact CB-SG 3.18Å; C364-C386 WeakPolarHBondContact SG-CA 3.26Å; C364-C386 WeakPolarHBondContact SG-CB 3.12Å; C364-C386 CovalentContact SG-SG 2.02Å; C364-C386 PolarHBondContact SG-SG 2.93Å; E366-C386 VanDerWaalsContact O-CB 3.23Å; E366-C386 WeakPolarHBondContact O-CB 3.29Å; E366-C386 PolarHBondContact O-SG 3.01Å; I368-C386 VanDerWaalsContact CD1-O 3.23Å; I368-C386 WeakPolarHBondContact CD1-O 3.49Å; I368-C386 WeakPolarHBondContact CG1-O 3.45Å; C386-L388 PolarHBondContact O-N 3.15Å; C386-M429 HydrophobicContact CB-SD 3.97Å
387	N	79.6	Confident	81.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.222	C	C	.	.			trans	-78	14	-175	80.3	-23.9	0	0	0	114.1	V385 V389 G418 F419 P427 Y428	V385-N387 PolarHBondContact O-N 3.06Å; N387-V389 PolarHBondContact O-N 2.92Å; N387-G418 WeakPolarHBondContact O-CA 3.4Å; N387-F419 HydrophobicContact CB-CD1 3.59Å; N387-F419 HydrophobicContact CB-CE1 3.32Å; N387-F419 HydrophobicContact CB-CG 4.34Å; N387-F419 HydrophobicContact CB-CZ 3.8Å; N387-F419 VanDerWaalsContact O-CD1 3.3Å; N387-F419 WeakPolarHBondContact O-CD1 3.02Å; N387-F419 PolarHBondContact O-N 3.17Å; N387-P427 VanDerWaalsContact OD1-CA 3.25Å; N387-P427 WeakPolarHBondContact OD1-CA 3.32Å; N387-Y428 WeakPolarHBondContact CB-O 3.43Å; N387-Y428 PolarHBondContact N-O 2.76Å; N387-Y428 VanDerWaalsContact ND2-CD1 3.29Å; N387-Y428 WeakPolarHBondContact ND2-CD1 3.05Å; N387-Y428 WeakPolarHBondContact ND2-CE1 3.45Å; N387-Y428 PolarHBondContact OD1-N 2.97Å; N387-Y428 PolarHBondContact OD1-O 3.11Å; N387-Y428 VanDerWaalsContact OD1-O 3.11Å
388	L	79.4	Confident	80.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	119.7	-176.2	176.4	57.1	0	0	0	111.2	P367 I368 C386 F402 L405 F416 G417 P427	P367-L388 HydrophobicContact CB-CD2 4.2Å; P367-L388 HydrophobicContact CB-CG 4.19Å; P367-L388 HydrophobicContact CG-CD2 3.77Å; P367-L388 HydrophobicContact CG-CG 4.24Å; I368-L388 PolarHBondContact N-O 2.89Å; C386-L388 PolarHBondContact O-N 3.15Å; L388-F402 HydrophobicContact CD1-CD2 4.28Å; L388-F402 HydrophobicContact CD1-CE2 3.41Å; L388-F402 VanDerWaalsContact CD1-CE2 3.41Å; L388-F402 HydrophobicContact CD1-CZ 3.89Å; L388-F402 HydrophobicContact CD2-CE1 4.24Å; L388-F402 HydrophobicContact CD2-CE2 3.81Å; L388-F402 HydrophobicContact CD2-CZ 3.46Å; L388-F402 VanDerWaalsContact CD2-CZ 3.46Å; L388-F402 HydrophobicContact CG-CE2 4.25Å; L388-F402 HydrophobicContact CG-CZ 4.29Å; L388-L405 HydrophobicContact CD2-CD2 3.73Å; L388-F416 HydrophobicContact CD1-CB 4.25Å; L388-G417 VanDerWaalsContact CD1-C 3.47Å; L388-G417 WeakPolarHBondContact CD1-O 3.37Å; L388-P427 HydrophobicContact CB-CB 4.07Å; L388-P427 HydrophobicContact CD1-CB 4.32Å
389	V	84.3	Confident	81.3	Confident	37 Å²	37	36.5 Å²	36.5	22%	0.224	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	167.5	-177.1	-61	0	0	0	0	111.1	I368 N387 V391 F416 G417 F419	I368-V389 HydrophobicContact CB-CG1 4.37Å; I368-V389 HydrophobicContact CD1-CG1 4Å; I368-V389 HydrophobicContact CG1-CG1 4.36Å; N387-V389 PolarHBondContact O-N 2.92Å; V389-V391 HydrophobicContact CG2-CG1 4.03Å; V389-V391 PolarHBondContact O-N 3.06Å; V389-F416 WeakPolarHBondContact O-CA 3.18Å; V389-G417 PolarHBondContact N-O 3.38Å; V389-G417 PolarHBondContact O-N 3.43Å; V389-G417 VanDerWaalsContact O-N 3.1Å; V389-G417 VanDerWaalsContact O-O 3.05Å; V389-F419 HydrophobicContact CG2-CB 3.77Å
390	N	87.3	Confident	81.8	Confident	60 Å²	60	33.5 Å²	33.5	32%	0.321	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	113.5	159.9	-171.9	-43.2	0	0	0	108.3	G392 R415 F416	N390-G392 PolarHBondContact O-N 2.86Å; N390-G392 PolarHBondContact OD1-N 3.46Å; N390-R415 CarbonylContact C-O 3.53Å; N390-R415 WeakPolarHBondContact CA-O 3.44Å; N390-F416 HydrophobicContact CB-CD1 4.37Å; N390-F416 HydrophobicContact CB-CD2 4.41Å; N390-F416 HydrophobicContact CB-CE1 3.97Å; N390-F416 HydrophobicContact CB-CE2 4.02Å; N390-F416 HydrophobicContact CB-CZ 3.79Å; N390-F416 WeakPolarHBondContact ND2-CE2 3.42Å
391	V	83.6	Confident	81.9	Confident	32 Å²	32	34.9 Å²	34.9	19%	0.194	20%	0.198	C	C	.	.			trans	-79.4	1.7	-173.6	-61.4	0	0	0	0	113.6	V389 H393 L395 R415 Y425	V389-V391 HydrophobicContact CG2-CG1 4.03Å; V389-V391 PolarHBondContact O-N 3.06Å; V391-H393 VanDerWaalsContact C-N 3.27Å; V391-H393 PolarHBondContact O-N 2.87Å; V391-H393 PolarHBondContact O-ND1 3.46Å; V391-L395 HydrophobicContact CG2-CD1 4.32Å; V391-L395 HydrophobicContact CG2-CD2 3.73Å; V391-L395 HydrophobicContact CG2-CG 3.9Å; V391-R415 WeakPolarHBondContact CG2-O 3.47Å; V391-R415 PolarHBondContact N-O 2.96Å; V391-Y425 HydrophobicContact CB-CE1 4.45Å; V391-Y425 HydrophobicContact CG1-CD1 3.95Å; V391-Y425 HydrophobicContact CG1-CE1 4.14Å
392	G	86.1	Confident	81.3	Confident	58 Å²	58	35.2 Å²	35.2	60%	0.598	20%	0.198	S	C	*	.	S	Bend	trans	82.3	-8.6	175	0	0	0	0	0	115.6	N390	N390-G392 PolarHBondContact O-N 2.86Å; N390-G392 PolarHBondContact OD1-N 3.46Å
393	H	88.4	Confident	80.5	Confident	84 Å²	84	39.7 Å²	39.7	39%	0.389	22%	0.222	S	C	.	.	S	Bend	trans	-137.2	164.5	177.8	60.9	-78.8	0	0	0	111.1	V391 L395 R415	V391-H393 VanDerWaalsContact C-N 3.27Å; V391-H393 PolarHBondContact O-N 2.87Å; V391-H393 PolarHBondContact O-ND1 3.46Å; H393-L395 PolarHBondContact O-N 2.93Å; H393-R415 WeakPolarHBondContact O-CA 3.25Å
394	T	87.8	Confident	79.8	Confident	77 Å²	77	45.6 Å²	45.6	47%	0.472	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-73.5	122.1	174	-56.9	0	0	0	0	109.2
395	L	82.5	Confident	79.4	Confident	8 Å²	8	46 Å²	46	4%	0.042	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-69.9	145.4	175.6	-68.3	170.4	0	0	0	110	V391 H393 H399 T400 N414 F416 Y425	V391-L395 HydrophobicContact CG2-CD1 4.32Å; V391-L395 HydrophobicContact CG2-CD2 3.73Å; V391-L395 HydrophobicContact CG2-CG 3.9Å; H393-L395 PolarHBondContact O-N 2.93Å; L395-H399 HydrophobicContact CB-CB 4.12Å; L395-H399 WeakPolarHBondContact CD1-O 3.22Å; L395-H399 HydrophobicContact CD2-CB 4.16Å; L395-T400 HydrophobicContact CB-CG2 4.01Å; L395-N414 VanDerWaalsContact CB-O 3.3Å; L395-N414 WeakPolarHBondContact CB-O 3.41Å; L395-N414 PolarHBondContact N-O 2.74Å; L395-F416 WeakPolarHBondContact CD1-O 3.46Å; L395-Y425 HydrophobicContact CD2-CD1 3.54Å; L395-Y425 HydrophobicContact CD2-CD2 3.91Å; L395-Y425 HydrophobicContact CD2-CE1 3.67Å; L395-Y425 HydrophobicContact CD2-CE2 4.06Å; L395-Y425 HydrophobicContact CD2-CG 3.63Å
396	K	82.5	Confident	78.8	Confident	127 Å²	127	48.2 Å²	48.2	55%	0.552	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-61.5	152.6	169.4	-60	-175.5	-175.7	172	0	109.8	E398 H399 T400	K396-E398 HydrophobicContact CB-CG 3.86Å; K396-E398 WeakPolarHBondContact CB-OE2 3.32Å; K396-E398 HydrophobicContact CD-CG 4.47Å; K396-E398 WeakPolarHBondContact CD-OE1 3.29Å; K396-E398 PolarHBondContact O-N 3.01Å; K396-E398 VanDerWaalsContact O-N 3.09Å; K396-H399 PolarHBondContact O-N 3.32Å; K396-T400 PolarHBondContact O-N 3.43Å
397	P	76.3	Confident	78.5	Confident	61 Å²	61	56 Å²	56	40%	0.396	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-49.3	-38.8	-179.4	-28.5	36	0	0	0	113.8	H399 T400	P397-H399 PolarHBondContact O-N 3.49Å; P397-T400 PolarHBondContact O-N 3.38Å; P397-T400 PolarHBondContact O-OG1 3.25Å
398	E	71.3	Confident	78.5	Confident	39 Å²	39	57 Å²	57	18%	0.182	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-58.2	-28.1	175.2	51.6	-96.3	-139.5	0	0	115.1	W274 Y283 K396	W274-E398 HydrophobicContact CZ3-CB 4.22Å; Y283-E398 HydrophobicContact CD1-CB 4.27Å; Y283-E398 HydrophobicContact CE1-CB 3.57Å; Y283-E398 HydrophobicContact CE1-CG 4.45Å; Y283-E398 HydrophobicContact CE2-CB 3.95Å; Y283-E398 WeakPolarHBondContact OH-CA 3.26Å; Y283-E398 WeakPolarHBondContact OH-CB 3.01Å; Y283-E398 PolarHBondContact OH-N 2.79Å; K396-E398 HydrophobicContact CB-CG 3.86Å; K396-E398 WeakPolarHBondContact CB-OE2 3.32Å; K396-E398 HydrophobicContact CD-CG 4.47Å; K396-E398 WeakPolarHBondContact CD-OE1 3.29Å; K396-E398 PolarHBondContact O-N 3.01Å; K396-E398 VanDerWaalsContact O-N 3.09Å
399	H	79	Confident	78.7	Confident	13 Å²	13	63.3 Å²	63.3	6%	0.06	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-103	4.4	-176.3	-58.5	166.8	0	0	0	111.9	L395 K396 P397 H401 D424 Y425	L395-H399 HydrophobicContact CB-CB 4.12Å; L395-H399 WeakPolarHBondContact CD1-O 3.22Å; L395-H399 HydrophobicContact CD2-CB 4.16Å; K396-H399 PolarHBondContact O-N 3.32Å; P397-H399 PolarHBondContact O-N 3.49Å; H399-H401 PolarHBondContact O-CD2 3.01Å; H399-H401 PolarHBondContact O-N 2.88Å; H399-H401 PolarHBondContact O-NE2 2.85Å; H399-D424 IonicContact NE2-OD1 3.47Å; H399-Y425 HydrophobicContact CB-CD2 3.77Å; H399-Y425 HydrophobicContact CB-CG 4.28Å; H399-Y425 AromaticContact CE1-CD2 3.88Å; H399-Y425 AromaticContact CE1-CE2 3.85Å; H399-Y425 AromaticContact CG-CD2 3.55Å; H399-Y425 AromaticContact ND1-CD2 3.2Å; H399-Y425 WeakPolarHBondContact ND1-CD2 3.18Å; H399-Y425 AromaticContact ND1-CE2 3.3Å; H399-Y425 VanDerWaalsContact ND1-CE2 3.3Å; H399-Y425 WeakPolarHBondContact ND1-CE2 3.24Å
400	T	77.1	Confident	78.4	Confident	15 Å²	15	65.8 Å²	65.8	9%	0.092	37%	0.365	C	S	.	.			trans	-87.6	98.8	177.1	59.3	0	0	0	0	111.6	V277 L395 K396 P397 N414	V277-T400 WeakPolarHBondContact CG2-O 3.48Å; V277-T400 PolarHBondContact N-O 2.7Å; L395-T400 HydrophobicContact CB-CG2 4.01Å; K396-T400 PolarHBondContact O-N 3.43Å; P397-T400 PolarHBondContact O-N 3.38Å; P397-T400 PolarHBondContact O-OG1 3.25Å; T400-N414 HydrophobicContact CG2-CB 4.15Å
401	H	73.4	Confident	78.1	Confident	53 Å²	53	67.7 Å²	67.7	25%	0.245	38%	0.383	C	S	.	.			trans	-97.4	-12.4	-172	-56.1	-55.3	0	0	0	115	H399 D424 Y425 C426	H399-H401 PolarHBondContact O-CD2 3.01Å; H399-H401 PolarHBondContact O-N 2.88Å; H399-H401 PolarHBondContact O-NE2 2.85Å; H401-D424 PolarHBondContact NE2-O 2.02Å; H401-Y425 PolarHBondContact CD2-O 2.9Å; H401-C426 VanDerWaalsContact CE1-SG 3.57Å
402	F	70.7	Confident	78.2	Confident	29 Å²	29	72.8 Å²	72.8	13%	0.127	40%	0.398	C	S	.	.			trans	-130.4	135.6	-176.6	-49.1	-85.7	0	0	0	115.8	V277 N365 L388 L405 Q413 P427	V277-F402 VanDerWaalsContact CG2-CA 3.42Å; V277-F402 WeakPolarHBondContact CG2-O 3.42Å; N365-F402 HydrophobicContact CB-CE1 3.88Å; L388-F402 HydrophobicContact CD1-CD2 4.28Å; L388-F402 HydrophobicContact CD1-CE2 3.41Å; L388-F402 VanDerWaalsContact CD1-CE2 3.41Å; L388-F402 HydrophobicContact CD1-CZ 3.89Å; L388-F402 HydrophobicContact CD2-CE1 4.24Å; L388-F402 HydrophobicContact CD2-CE2 3.81Å; L388-F402 HydrophobicContact CD2-CZ 3.46Å; L388-F402 VanDerWaalsContact CD2-CZ 3.46Å; L388-F402 HydrophobicContact CG-CE2 4.25Å; L388-F402 HydrophobicContact CG-CZ 4.29Å; F402-L405 HydrophobicContact CB-CD1 3.99Å; F402-L405 HydrophobicContact CB-CD2 3.92Å; F402-L405 HydrophobicContact CB-CG 3.55Å; F402-L405 HydrophobicContact CD1-CD2 3.47Å; F402-L405 VanDerWaalsContact CD1-CD2 3.47Å; F402-L405 HydrophobicContact CD1-CG 4.11Å; F402-L405 HydrophobicContact CD2-CD1 4.05Å; F402-L405 HydrophobicContact CD2-CD2 4.01Å; F402-L405 HydrophobicContact CD2-CG 4.2Å; F402-L405 HydrophobicContact CE1-CD2 3.74Å; F402-L405 HydrophobicContact CE2-CD2 4.27Å; F402-L405 HydrophobicContact CG-CD1 4.07Å; F402-L405 HydrophobicContact CG-CD2 3.54Å; F402-L405 HydrophobicContact CG-CG 3.73Å; F402-L405 HydrophobicContact CZ-CD2 4.05Å; F402-Q413 PolarHBondContact O-OE1 3.23Å; F402-P427 HydrophobicContact CE1-CG 4.2Å; F402-P427 HydrophobicContact CE2-CB 4.22Å; F402-P427 HydrophobicContact CE2-CG 3.86Å; F402-P427 HydrophobicContact CZ-CB 3.77Å; F402-P427 HydrophobicContact CZ-CG 3.33Å
403	N	69.9	Low	77.9	Confident	95 Å²	95	70.4 Å²	70.4	51%	0.508	37%	0.372	S	S	.	.	S	Bend	trans	-107.7	-19.7	165.6	33.7	23.4	0	0	0	113.7	V277 Q413	V277-N403 HydrophobicContact CB-CB 4.45Å; V277-N403 HydrophobicContact CG1-CB 3.29Å; V277-N403 HydrophobicContact CG2-CB 4.41Å; N403-Q413 VanDerWaalsContact C-CD 3.48Å; N403-Q413 VanDerWaalsContact O-CD 3.29Å; N403-Q413 PolarHBondContact O-NE2 2.76Å; N403-Q413 PolarHBondContact O-OE1 3.37Å
404	N	71.7	Confident	77.7	Confident	134 Å²	134	69.3 Å²	69.3	72%	0.717	37%	0.369	S	S	*	.			trans	-134	61.6	-174.8	-75.7	-25.8	0	0	0	111.5
405	L	74.8	Confident	77.8	Confident	8 Å²	8	70.9 Å²	70.9	4%	0.042	37%	0.366	C	S	.	.			trans	-71.2	127.7	171	-78	176.1	0	0	0	111.5	P367 L388 F402 N407 V408 Q413 F416	P367-L405 HydrophobicContact CG-CD1 4.49Å; P367-L405 HydrophobicContact CG-CD2 4.15Å; L388-L405 HydrophobicContact CD2-CD2 3.73Å; F402-L405 HydrophobicContact CB-CD1 3.99Å; F402-L405 HydrophobicContact CB-CD2 3.92Å; F402-L405 HydrophobicContact CB-CG 3.55Å; F402-L405 HydrophobicContact CD1-CD2 3.47Å; F402-L405 VanDerWaalsContact CD1-CD2 3.47Å; F402-L405 HydrophobicContact CD1-CG 4.11Å; F402-L405 HydrophobicContact CD2-CD1 4.05Å; F402-L405 HydrophobicContact CD2-CD2 4.01Å; F402-L405 HydrophobicContact CD2-CG 4.2Å; F402-L405 HydrophobicContact CE1-CD2 3.74Å; F402-L405 HydrophobicContact CE2-CD2 4.27Å; F402-L405 HydrophobicContact CG-CD1 4.07Å; F402-L405 HydrophobicContact CG-CD2 3.54Å; F402-L405 HydrophobicContact CG-CG 3.73Å; F402-L405 HydrophobicContact CZ-CD2 4.05Å; L405-N407 PolarHBondContact O-N 2.84Å; L405-V408 HydrophobicContact CB-CB 3.79Å; L405-V408 HydrophobicContact CB-CG2 4Å; L405-V408 HydrophobicContact CD1-CG2 4.48Å; L405-V408 PolarHBondContact O-N 2.96Å; L405-Q413 HydrophobicContact CB-CG 4.29Å; L405-Q413 HydrophobicContact CD1-CG 4.47Å; L405-F416 HydrophobicContact CD1-CB 3.45Å; L405-F416 VanDerWaalsContact CD1-CB 3.45Å; L405-F416 HydrophobicContact CD1-CD1 4.1Å; L405-F416 HydrophobicContact CD1-CG 3.81Å
406	P	69.6	Low	77.9	Confident	71 Å²	71	71.6 Å²	71.6	46%	0.461	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	131.6	174.2	-21.1	31.3	0	0	0	111	V408	P406-V408 PolarHBondContact O-N 2.97Å
407	N	73.4	Confident	77.9	Confident	175 Å²	175	65.5 Å²	65.5	94%	0.936	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	22.5	177.9	-45.1	-64.1	0	0	0	115	L405	L405-N407 PolarHBondContact O-N 2.84Å
408	V	79.3	Confident	78	Confident	22 Å²	22	62.6 Å²	62.6	13%	0.133	32%	0.324	C	S	.	.	S	Bend	trans	-127.4	121.6	174	-176.7	0	0	0	0	109.7	P367 L405 P406 R412 Q413 F416	P367-V408 HydrophobicContact CG-CG2 4.29Å; L405-V408 HydrophobicContact CB-CB 3.79Å; L405-V408 HydrophobicContact CB-CG2 4Å; L405-V408 HydrophobicContact CD1-CG2 4.48Å; L405-V408 PolarHBondContact O-N 2.96Å; P406-V408 PolarHBondContact O-N 2.97Å; V408-R412 HydrophobicContact CG1-CB 4.37Å; V408-Q413 HydrophobicContact CB-CG 4.37Å; V408-Q413 HydrophobicContact CG1-CG 3.89Å; V408-Q413 PolarHBondContact O-NE2 3Å; V408-F416 HydrophobicContact CG1-CD2 3.86Å; V408-F416 HydrophobicContact CG1-CE2 3.47Å; V408-F416 VanDerWaalsContact CG1-CE2 3.47Å; V408-F416 HydrophobicContact CG1-CZ 3.83Å; V408-F416 HydrophobicContact CG2-CE1 4.05Å; V408-F416 HydrophobicContact CG2-CE2 4.43Å; V408-F416 HydrophobicContact CG2-CZ 3.97Å
409	E	83.1	Confident	78.6	Confident	132 Å²	132	64.9 Å²	64.9	62%	0.617	33%	0.333	S	S	*	.			trans	-54	134.2	176.5	-74.5	-60.2	141.8	0	0	112.2	S411 R412 Q413	E409-S411 PolarHBondContact O-N 3.22Å; E409-S411 VanDerWaalsContact O-N 3.12Å; E409-R412 PolarHBondContact O-N 3.04Å; E409-Q413 WeakPolarHBondContact O-CG 3.29Å
410	P	78.1	Confident	78.3	Confident	89 Å²	89	64.6 Å²	64.6	58%	0.578	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-49.4	-40.6	-177.9	-29.7	35.6	0	0	0	114.7	R412 Q413	P410-R412 PolarHBondContact O-N 2.86Å; P410-R412 VanDerWaalsContact O-N 3.14Å; P410-Q413 PolarHBondContact O-N 3.06Å
411	S	81.9	Confident	78.4	Confident	99 Å²	99	67.2 Å²	67.2	69%	0.692	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-64.5	-17.3	-179.3	61	0	0	0	0	114.4	E409	E409-S411 PolarHBondContact O-N 3.22Å; E409-S411 VanDerWaalsContact O-N 3.12Å
412	R	85.1	Confident	78.5	Confident	139 Å²	139	66.4 Å²	66.4	53%	0.525	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-103.8	-11.1	-178.7	-62.3	-178.1	65.2	-167	-0.3	113.2	V408 E409 P410 N414 R415 F416	V408-R412 HydrophobicContact CG1-CB 4.37Å; E409-R412 PolarHBondContact O-N 3.04Å; P410-R412 PolarHBondContact O-N 2.86Å; P410-R412 VanDerWaalsContact O-N 3.14Å; R412-N414 PolarHBondContact O-N 3.42Å; R412-R415 PolarHBondContact O-N 3.41Å; R412-F416 WeakPolarHBondContact O-CD2 3.42Å
413	Q	80.9	Confident	78.7	Confident	8 Å²	8	65 Å²	65	4%	0.037	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-66.1	-25.9	-171.8	-64.3	-169	38.6	0	0	113.2	F402 N403 L405 V408 E409 P410 R415 F416	F402-Q413 PolarHBondContact O-OE1 3.23Å; N403-Q413 VanDerWaalsContact C-CD 3.48Å; N403-Q413 VanDerWaalsContact O-CD 3.29Å; N403-Q413 PolarHBondContact O-NE2 2.76Å; N403-Q413 PolarHBondContact O-OE1 3.37Å; L405-Q413 HydrophobicContact CB-CG 4.29Å; L405-Q413 HydrophobicContact CD1-CG 4.47Å; V408-Q413 HydrophobicContact CB-CG 4.37Å; V408-Q413 HydrophobicContact CG1-CG 3.89Å; V408-Q413 PolarHBondContact O-NE2 3Å; E409-Q413 WeakPolarHBondContact O-CG 3.29Å; P410-Q413 PolarHBondContact O-N 3.06Å; Q413-R415 PolarHBondContact O-N 2.7Å; Q413-F416 PolarHBondContact O-N 3.43Å
414	N	83.8	Confident	79.1	Confident	61 Å²	61	60.5 Å²	60.5	33%	0.326	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-66.3	-4.1	172.8	67.6	-6.8	0	0	0	114.4	L395 T400 R412	L395-N414 VanDerWaalsContact CB-O 3.3Å; L395-N414 WeakPolarHBondContact CB-O 3.41Å; L395-N414 PolarHBondContact N-O 2.74Å; T400-N414 HydrophobicContact CG2-CB 4.15Å; R412-N414 PolarHBondContact O-N 3.42Å
415	R	89.1	Confident	79.6	Confident	110 Å²	110	55.6 Å²	55.6	42%	0.415	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-104.7	4	171.9	-53.7	-169.9	178.5	-160.5	1	112.8	N390 V391 H393 R412 Q413	N390-R415 CarbonylContact C-O 3.53Å; N390-R415 WeakPolarHBondContact CA-O 3.44Å; V391-R415 WeakPolarHBondContact CG2-O 3.47Å; V391-R415 PolarHBondContact N-O 2.96Å; H393-R415 WeakPolarHBondContact O-CA 3.25Å; R412-R415 PolarHBondContact O-N 3.41Å; Q413-R415 PolarHBondContact O-N 2.7Å
416	F	84.9	Confident	79.7	Confident	23 Å²	23	55.8 Å²	55.8	10%	0.101	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.9	-179.1	-78.7	-103.9	0	0	0	111.1	P367 L388 V389 N390 L395 L405 V408 R412 Q413	P367-F416 HydrophobicContact CB-CD1 4.46Å; P367-F416 HydrophobicContact CB-CE1 4.36Å; L388-F416 HydrophobicContact CD1-CB 4.25Å; V389-F416 WeakPolarHBondContact O-CA 3.18Å; N390-F416 HydrophobicContact CB-CD1 4.37Å; N390-F416 HydrophobicContact CB-CD2 4.41Å; N390-F416 HydrophobicContact CB-CE1 3.97Å; N390-F416 HydrophobicContact CB-CE2 4.02Å; N390-F416 HydrophobicContact CB-CZ 3.79Å; N390-F416 WeakPolarHBondContact ND2-CE2 3.42Å; L395-F416 WeakPolarHBondContact CD1-O 3.46Å; L405-F416 HydrophobicContact CD1-CB 3.45Å; L405-F416 VanDerWaalsContact CD1-CB 3.45Å; L405-F416 HydrophobicContact CD1-CD1 4.1Å; L405-F416 HydrophobicContact CD1-CG 3.81Å; V408-F416 HydrophobicContact CG1-CD2 3.86Å; V408-F416 HydrophobicContact CG1-CE2 3.47Å; V408-F416 VanDerWaalsContact CG1-CE2 3.47Å; V408-F416 HydrophobicContact CG1-CZ 3.83Å; V408-F416 HydrophobicContact CG2-CE1 4.05Å; V408-F416 HydrophobicContact CG2-CE2 4.43Å; V408-F416 HydrophobicContact CG2-CZ 3.97Å; R412-F416 WeakPolarHBondContact O-CD2 3.42Å; Q413-F416 PolarHBondContact O-N 3.43Å
417	G	83	Confident	80	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	171.1	177.4	0	0	0	0	0	110.3	L388 V389	L388-G417 VanDerWaalsContact CD1-C 3.47Å; L388-G417 WeakPolarHBondContact CD1-O 3.37Å; V389-G417 PolarHBondContact N-O 3.38Å; V389-G417 PolarHBondContact O-N 3.43Å; V389-G417 VanDerWaalsContact O-N 3.1Å; V389-G417 VanDerWaalsContact O-O 3.05Å
418	G	78.4	Confident	80	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	140.8	167.1	0	0	0	0	0	110.2	N387 D420 Y425	N387-G418 WeakPolarHBondContact O-CA 3.4Å; G418-D420 PolarHBondContact O-N 3.38Å; G418-D420 VanDerWaalsContact O-N 3.17Å; G418-Y425 PolarHBondContact N-O 2.92Å; G418-Y425 VanDerWaalsContact O-CD1 3.32Å; G418-Y425 WeakPolarHBondContact O-CD1 3.3Å
419	F	82.6	Confident	79.8	Confident	87 Å²	87	45.2 Å²	45.2	38%	0.382	22%	0.223	S	C	.	.	S	Bend	trans	-67.8	-12.1	179.4	64.4	-117.3	0	0	0	114	N387 V389	N387-F419 HydrophobicContact CB-CD1 3.59Å; N387-F419 HydrophobicContact CB-CE1 3.32Å; N387-F419 HydrophobicContact CB-CG 4.34Å; N387-F419 HydrophobicContact CB-CZ 3.8Å; N387-F419 VanDerWaalsContact O-CD1 3.3Å; N387-F419 WeakPolarHBondContact O-CD1 3.02Å; N387-F419 PolarHBondContact O-N 3.17Å; V389-F419 HydrophobicContact CG2-CB 3.77Å
420	D	73.3	Confident	79.4	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.032	20%	0.2	C	C	.	.			trans	-89.8	107.1	-176.2	-157.2	-31.5	0	0	0	110.6	R326 K337 G418 H422 A423 Y425 Y428	R326-D420 IonicContact CZ-OD2 3.94Å; R326-D420 VanDerWaalsContact NE-CG 3.31Å; R326-D420 IonicContact NE-OD1 2.76Å; R326-D420 IonicContact NE-OD2 3.24Å; R326-D420 PolarHBondContact NE-OD2 3.21Å; R326-D420 IonicContact NH2-OD2 3.01Å; R326-D420 PolarHBondContact NH2-OD2 3.43Å; K337-D420 VanDerWaalsContact CD-OD2 3.23Å; K337-D420 WeakPolarHBondContact CD-OD2 3.45Å; K337-D420 IonicContact NZ-OD2 2.76Å; K337-D420 PolarHBondContact NZ-OD2 2.76Å; G418-D420 PolarHBondContact O-N 3.38Å; G418-D420 VanDerWaalsContact O-N 3.17Å; D420-H422 VanDerWaalsContact C-N 3.27Å; D420-H422 PolarHBondContact O-N 3.17Å; D420-H422 PolarHBondContact OD1-N 2.92Å; D420-H422 IonicContact OD1-ND1 2.7Å; D420-A423 HydrophobicContact CB-CB 4.15Å; D420-A423 PolarHBondContact O-N 2.88Å; D420-A423 VanDerWaalsContact O-N 3.16Å; D420-Y425 PolarHBondContact O-N 3.33Å; D420-Y428 HydrophobicContact CB-CE1 3.79Å; D420-Y428 PolarHBondContact OD2-OH 3.03Å
421	I	80.2	Confident	79.6	Confident	71 Å²	71	36.4 Å²	36.4	36%	0.364	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-60.7	-39.1	-177.1	68.5	177.9	0	0	0	111.7	A423 D424 Y425	I421-A423 PolarHBondContact O-N 3.13Å; I421-D424 PolarHBondContact O-N 2.76Å; I421-Y425 HydrophobicContact CB-CE2 4.47Å; I421-Y425 HydrophobicContact CG2-CE1 4.03Å; I421-Y425 HydrophobicContact CG2-CE2 4.45Å
422	H	75.7	Confident	79.5	Confident	36 Å²	36	34.3 Å²	34.3	17%	0.167	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-69.7	-20.2	-176.9	-54.8	110.4	0	0	0	111.7	E325 R326 P336 D420 D424	E325-H422 VanDerWaalsContact OE1-O 3.07Å; R326-H422 HydrophobicContact CB-CB 3.98Å; R326-H422 VanDerWaalsContact CB-O 3.25Å; R326-H422 WeakPolarHBondContact CB-O 3.42Å; P336-H422 HydrophobicContact CB-CB 4.49Å; P336-H422 HydrophobicContact CG-CB 3.55Å; D420-H422 VanDerWaalsContact C-N 3.27Å; D420-H422 PolarHBondContact O-N 3.17Å; D420-H422 PolarHBondContact OD1-N 2.92Å; D420-H422 IonicContact OD1-ND1 2.7Å; H422-D424 PolarHBondContact O-N 3.41Å
423	A	74.1	Confident	78.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-83.9	20.8	173.5	0	0	0	0	0	112	R326 D420 I421 Y425 C426 Y428	R326-A423 HydrophobicContact CG-CB 4.3Å; D420-A423 HydrophobicContact CB-CB 4.15Å; D420-A423 PolarHBondContact O-N 2.88Å; D420-A423 VanDerWaalsContact O-N 3.16Å; I421-A423 PolarHBondContact O-N 3.13Å; A423-Y425 PolarHBondContact O-N 3.11Å; A423-C426 WeakPolarHBondContact O-CA 3.47Å; A423-C426 WeakPolarHBondContact O-CB 3.34Å; A423-C426 PolarHBondContact O-N 3.21Å; A423-Y428 HydrophobicContact CB-CD1 4.25Å; A423-Y428 HydrophobicContact CB-CE1 4.08Å
424	D	78.9	Confident	78.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	33.7	-172.3	-65.8	-41.5	0	0	0	112.6	W274 R285 R327 H399 H401 I421 H422 C426	W274-D424 HydrophobicContact CH2-CB 4.49Å; W274-D424 WeakPolarHBondContact CH2-OD2 3.49Å; R285-D424 IonicContact CZ-OD1 3.61Å; R285-D424 IonicContact NH2-OD1 2.81Å; R285-D424 PolarHBondContact NH2-OD1 2.79Å; R285-D424 IonicContact NH2-OD2 2.8Å; R285-D424 PolarHBondContact NH2-OD2 2.87Å; R327-D424 IonicContact NE-OD2 3.52Å; R327-D424 PolarHBondContact NE-OD2 2.8Å; H399-D424 IonicContact NE2-OD1 3.47Å; H401-D424 PolarHBondContact NE2-O 2.02Å; I421-D424 PolarHBondContact O-N 2.76Å; H422-D424 PolarHBondContact O-N 3.41Å; D424-C426 PolarHBondContact O-N 2.95Å; D424-C426 VanDerWaalsContact O-N 3.08Å
425	Y	81.2	Confident	78.1	Confident	30 Å²	30	33.2 Å²	33.2	12%	0.118	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	19.7	-170.1	-57.9	-95.6	0	0	0	113.9	V391 L395 H399 H401 G418 D420 I421 A423	V391-Y425 HydrophobicContact CB-CE1 4.45Å; V391-Y425 HydrophobicContact CG1-CD1 3.95Å; V391-Y425 HydrophobicContact CG1-CE1 4.14Å; L395-Y425 HydrophobicContact CD2-CD1 3.54Å; L395-Y425 HydrophobicContact CD2-CD2 3.91Å; L395-Y425 HydrophobicContact CD2-CE1 3.67Å; L395-Y425 HydrophobicContact CD2-CE2 4.06Å; L395-Y425 HydrophobicContact CD2-CG 3.63Å; H399-Y425 HydrophobicContact CB-CD2 3.77Å; H399-Y425 HydrophobicContact CB-CG 4.28Å; H399-Y425 AromaticContact CE1-CD2 3.88Å; H399-Y425 AromaticContact CE1-CE2 3.85Å; H399-Y425 AromaticContact CG-CD2 3.55Å; H399-Y425 AromaticContact ND1-CD2 3.2Å; H399-Y425 WeakPolarHBondContact ND1-CD2 3.18Å; H399-Y425 AromaticContact ND1-CE2 3.3Å; H399-Y425 VanDerWaalsContact ND1-CE2 3.3Å; H399-Y425 WeakPolarHBondContact ND1-CE2 3.24Å; H401-Y425 PolarHBondContact CD2-O 2.9Å; G418-Y425 PolarHBondContact N-O 2.92Å; G418-Y425 VanDerWaalsContact O-CD1 3.32Å; G418-Y425 WeakPolarHBondContact O-CD1 3.3Å; D420-Y425 PolarHBondContact O-N 3.33Å; I421-Y425 HydrophobicContact CB-CE2 4.47Å; I421-Y425 HydrophobicContact CG2-CE1 4.03Å; I421-Y425 HydrophobicContact CG2-CE2 4.45Å; A423-Y425 PolarHBondContact O-N 3.11Å
426	C	76.2	Confident	77.2	Confident	13 Å²	13	33.6 Å²	33.6	9%	0.088	17%	0.17	C	C	.	.			trans	-68.2	129.3	173.7	-71.5	0	0	0	0	110	R327 W363 H401 A423 D424 Y428	R327-C426 WeakPolarHBondContact CD-SG 3.23Å; R327-C426 HydrophobicContact CG-CB 4.29Å; W363-C426 HydrophobicContact CE3-CB 3.79Å; W363-C426 HydrophobicContact CH2-CB 3.5Å; W363-C426 VanDerWaalsContact CH2-CB 3.5Å; W363-C426 HydrophobicContact CZ2-CB 4.32Å; W363-C426 HydrophobicContact CZ3-CB 3.18Å; H401-C426 VanDerWaalsContact CE1-SG 3.57Å; A423-C426 WeakPolarHBondContact O-CA 3.47Å; A423-C426 WeakPolarHBondContact O-CB 3.34Å; A423-C426 PolarHBondContact O-N 3.21Å; D424-C426 PolarHBondContact O-N 2.95Å; D424-C426 VanDerWaalsContact O-N 3.08Å; C426-Y428 PolarHBondContact O-N 3.14Å
427	P	77.3	Confident	76.6	Confident	10 Å²	10	38.8 Å²	38.8	7%	0.065	21%	0.209	C	C	.	.			trans	-74.9	116.2	-177.8	34.6	-42.4	0	0	0	111.4	W363 C364 N387 L388 F402	W363-P427 WeakPolarHBondContact CA-O 3.41Å; C364-P427 PolarHBondContact N-O 3.14Å; C364-P427 VanDerWaalsContact O-CB 3.24Å; C364-P427 WeakPolarHBondContact O-CB 3.09Å; C364-P427 WeakPolarHBondContact O-CG 3.24Å; N387-P427 VanDerWaalsContact OD1-CA 3.25Å; N387-P427 WeakPolarHBondContact OD1-CA 3.32Å; L388-P427 HydrophobicContact CB-CB 4.07Å; L388-P427 HydrophobicContact CD1-CB 4.32Å; F402-P427 HydrophobicContact CE1-CG 4.2Å; F402-P427 HydrophobicContact CE2-CB 4.22Å; F402-P427 HydrophobicContact CE2-CG 3.86Å; F402-P427 HydrophobicContact CZ-CB 3.77Å; F402-P427 HydrophobicContact CZ-CG 3.33Å
428	Y	72.8	Confident	76.1	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.016	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-128.4	158.5	177.6	68.6	-94.4	0	0	0	112.5	R326 I330 P362 W363 C364 N387 D420 A423 C426 S430	R326-Y428 PolarHBondContact NH2-OH 2.56Å; I330-Y428 HydrophobicContact CD1-CD1 3.56Å; I330-Y428 HydrophobicContact CD1-CD2 4.07Å; I330-Y428 HydrophobicContact CD1-CE1 4.15Å; I330-Y428 HydrophobicContact CD1-CG 3.53Å; I330-Y428 HydrophobicContact CG2-CD2 4.46Å; P362-Y428 VanDerWaalsContact O-CA 3.31Å; P362-Y428 WeakPolarHBondContact O-CA 2.99Å; P362-Y428 WeakPolarHBondContact O-CB 3.25Å; W363-Y428 HydrophobicContact CZ3-CD1 4.45Å; C364-Y428 VanDerWaalsContact SG-CA 3.59Å; C364-Y428 PolarHBondContact SG-O 2.8Å; C364-Y428 VanDerWaalsContact SG-O 3.41Å; N387-Y428 WeakPolarHBondContact CB-O 3.43Å; N387-Y428 PolarHBondContact N-O 2.76Å; N387-Y428 VanDerWaalsContact ND2-CD1 3.29Å; N387-Y428 WeakPolarHBondContact ND2-CD1 3.05Å; N387-Y428 WeakPolarHBondContact ND2-CE1 3.45Å; N387-Y428 PolarHBondContact OD1-N 2.97Å; N387-Y428 PolarHBondContact OD1-O 3.11Å; N387-Y428 VanDerWaalsContact OD1-O 3.11Å; D420-Y428 HydrophobicContact CB-CE1 3.79Å; D420-Y428 PolarHBondContact OD2-OH 3.03Å; A423-Y428 HydrophobicContact CB-CD1 4.25Å; A423-Y428 HydrophobicContact CB-CE1 4.08Å; C426-Y428 PolarHBondContact O-N 3.14Å; Y428-S430 PolarHBondContact O-N 2.81Å; Y428-S430 VanDerWaalsContact O-N 3.13Å
429	M	74.9	Confident	75.9	Confident	32 Å²	32	42.6 Å²	42.6	16%	0.158	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	107.3	172.7	-70.5	-60.8	-65	0	0	110.1	P362 C364 R375 I377 C386	P362-M429 PolarHBondContact O-N 3.22Å; C364-M429 HydrophobicContact CB-CG 3.99Å; C364-M429 HydrophobicContact CB-SD 3.83Å; R375-M429 HydrophobicContact CB-CE 3.97Å; I377-M429 HydrophobicContact CD1-CB 3.77Å; I377-M429 HydrophobicContact CD1-CE 4.35Å; I377-M429 HydrophobicContact CG1-CB 3.88Å; I377-M429 HydrophobicContact CG1-CE 3.95Å; I377-M429 HydrophobicContact CG2-CB 3.9Å; C386-M429 HydrophobicContact CB-SD 3.97Å
430	S	76	Confident	75.8	Confident	20 Å²	20	38.5 Å²	38.5	14%	0.14	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.6	176.5	-174.9	0	0	0	0	110.3	G384 V385 Y428	G384-S430 CarbonylContact C-O 3.53Å; G384-S430 WeakPolarHBondContact CA-O 2.98Å; V385-S430 PolarHBondContact N-O 3.34Å; V385-S430 PolarHBondContact O-N 3.34Å; Y428-S430 PolarHBondContact O-N 2.81Å; Y428-S430 VanDerWaalsContact O-N 3.13Å
431	M	81.7	Confident	76.3	Confident	15 Å²	15	38.2 Å²	38.2	7%	0.074	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	167.7	168.9	68.9	169.1	-72.1	0	0	111.9	I340 I377 I380 A382 N441 S442 H443	I340-M431 HydrophobicContact CB-CE 3.94Å; I340-M431 HydrophobicContact CB-SD 3.58Å; I340-M431 VanDerWaalsContact CB-SD 3.58Å; I340-M431 HydrophobicContact CD1-CE 3.63Å; I340-M431 HydrophobicContact CD1-SD 4.21Å; I340-M431 HydrophobicContact CG1-CE 4.25Å; I340-M431 HydrophobicContact CG1-SD 4.22Å; I340-M431 HydrophobicContact CG2-CE 3.94Å; I340-M431 HydrophobicContact CG2-SD 4.06Å; I377-M431 HydrophobicContact CD1-CB 4.27Å; I380-M431 HydrophobicContact CD1-CB 3.88Å; I380-M431 HydrophobicContact CD1-CG 4.09Å; I380-M431 HydrophobicContact CD1-SD 4.23Å; A382-M431 HydrophobicContact CB-CB 3.78Å; A382-M431 HydrophobicContact CB-CE 4.02Å; A382-M431 HydrophobicContact CB-SD 3.9Å; M431-N441 HydrophobicContact CE-CB 3.92Å; M431-S442 WeakPolarHBondContact CB-OG 3.33Å; M431-S442 WeakPolarHBondContact CE-OG 3.43Å; M431-H443 HydrophobicContact CE-CB 3.81Å
432	F	79.4	Confident	76.7	Confident	56 Å²	56	34.9 Å²	34.9	25%	0.246	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-89.4	124.4	174.7	-63.2	-72.1	0	0	0	110.6	I374 Y383 V385 V435 N441 S442	I374-F432 HydrophobicContact CD1-CE2 3.9Å; I374-F432 HydrophobicContact CD1-CZ 4.01Å; I374-F432 HydrophobicContact CG1-CE2 3.96Å; I374-F432 HydrophobicContact CG1-CZ 3.98Å; I374-F432 HydrophobicContact CG2-CE2 3.9Å; Y383-F432 AromaticContact CD2-CD2 3.82Å; Y383-F432 HydrophobicContact CD2-CD2 3.82Å; Y383-F432 HydrophobicContact CD2-CE2 4.12Å; Y383-F432 AromaticContact CE2-CD2 3.97Å; Y383-F432 HydrophobicContact CE2-CD2 3.97Å; Y383-F432 HydrophobicContact CE2-CE2 4.49Å; V385-F432 HydrophobicContact CB-CZ 4.42Å; V385-F432 HydrophobicContact CG1-CE1 4.27Å; V385-F432 HydrophobicContact CG1-CE2 4.23Å; V385-F432 HydrophobicContact CG1-CZ 3.53Å; V385-F432 HydrophobicContact CG2-CE1 4.06Å; V385-F432 HydrophobicContact CG2-CZ 4.11Å; F432-V435 HydrophobicContact CB-CG2 3.75Å; F432-V435 HydrophobicContact CG-CG2 4.46Å; F432-N441 CarbonylContact O-C 3.59Å; F432-N441 WeakPolarHBondContact O-CA 3.43Å; F432-N441 WeakPolarHBondContact O-CB 3.19Å; F432-S442 PolarHBondContact N-OG 2.94Å; F432-S442 PolarHBondContact O-N 2.95Å; F432-S442 PolarHBondContact O-OG 2.98Å
433	N	72.3	Confident	77.2	Confident	76 Å²	76	34.2 Å²	34.2	41%	0.406	19%	0.193	S	C	.	.	S	Bend	trans	-80.4	-25.4	176.7	-64.2	-10.3	0	0	0	112.8	I340	I340-N433 HydrophobicContact CD1-CB 3.91Å; I340-N433 WeakPolarHBondContact CD1-OD1 3.4Å; I340-N433 WeakPolarHBondContact CG1-OD1 3.3Å
434	N	72.6	Confident	78	Confident	88 Å²	88	34.2 Å²	34.2	47%	0.471	19%	0.193	S	C	.	.	S	Bend	trans	-139	138.3	175.4	-63.9	-43.2	0	0	0	108.5	T438 M440	N434-T438 VanDerWaalsContact CB-O 3.31Å; N434-T438 WeakPolarHBondContact CB-O 3.06Å; N434-T438 PolarHBondContact OD1-O 3.38Å; N434-M440 CarbonylContact C-O 3.6Å; N434-M440 VanDerWaalsContact CA-O 3.25Å; N434-M440 WeakPolarHBondContact CA-O 3.13Å
435	V	75	Confident	78.5	Confident	20 Å²	20	35 Å²	35	12%	0.121	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-127.5	134.6	-179.1	177	0	0	0	0	108.4	Y383 F432 S437 T438 M440	Y383-V435 HydrophobicContact CE2-CG2 4.3Å; F432-V435 HydrophobicContact CB-CG2 3.75Å; F432-V435 HydrophobicContact CG-CG2 4.46Å; V435-S437 VanDerWaalsContact C-N 3.27Å; V435-S437 PolarHBondContact O-N 3.06Å; V435-T438 WeakPolarHBondContact O-CB 3.49Å; V435-T438 PolarHBondContact O-N 2.93Å; V435-T438 PolarHBondContact O-OG1 2.79Å; V435-M440 HydrophobicContact CB-CE 3.48Å; V435-M440 VanDerWaalsContact CB-CE 3.48Å; V435-M440 HydrophobicContact CG1-CE 3.46Å; V435-M440 VanDerWaalsContact CG1-CE 3.46Å; V435-M440 HydrophobicContact CG2-CE 4.02Å; V435-M440 PolarHBondContact N-O 2.03Å
436	L	71.3	Confident	78.6	Confident	118 Å²	118	34.1 Å²	34.1	62%	0.618	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	38	-179.9	-61.4	173.5	0	0	0	114.1	T438 H456	L436-T438 PolarHBondContact O-N 2.03Å; L436-H456 WeakPolarHBondContact CD1-CE1 3.06Å
437	S	71.2	Confident	79.1	Confident	133 Å²	133	36.5 Å²	36.5	93%	0.93	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	17.8	-175.9	-54.7	0	0	0	0	114.5	V435	V435-S437 VanDerWaalsContact C-N 3.27Å; V435-S437 PolarHBondContact O-N 3.06Å
438	T	73.8	Confident	79.3	Confident	39 Å²	39	37.6 Å²	37.6	24%	0.239	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-97.8	169.7	170.6	76.1	0	0	0	0	110	N434 V435 L436 M440 Y452	N434-T438 VanDerWaalsContact CB-O 3.31Å; N434-T438 WeakPolarHBondContact CB-O 3.06Å; N434-T438 PolarHBondContact OD1-O 3.38Å; V435-T438 WeakPolarHBondContact O-CB 3.49Å; V435-T438 PolarHBondContact O-N 2.93Å; V435-T438 PolarHBondContact O-OG1 2.79Å; L436-T438 PolarHBondContact O-N 2.03Å; T438-M440 PolarHBondContact O-N 3.48Å; T438-M440 WeakPolarHBondContact OG1-CB 3.43Å; T438-M440 PolarHBondContact OG1-N 3.27Å; T438-M440 VanDerWaalsContact OG1-N 3.07Å; T438-Y452 HydrophobicContact CG2-CE1 4.23Å
439	T	73.5	Confident	79.9	Confident	41 Å²	41	37.5 Å²	37.5	25%	0.252	22%	0.215	S	C	.	.	S	Bend	trans	-80.8	9.7	170.6	61.7	0	0	0	0	113.1	S205 N441 Y452	S205-T439 WeakPolarHBondContact CB-OG1 3.16Å; T439-N441 PolarHBondContact O-N 3.28Å; T439-Y452 PolarHBondContact OG1-OH 3.12Å
440	M	81.3	Confident	80.5	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.228	C	C	.	.			trans	-69.4	124.2	173.8	-166.8	-173.8	69.4	0	0	109	N434 V435 T438 N449 Y452 H456 Y462	N434-M440 CarbonylContact C-O 3.6Å; N434-M440 VanDerWaalsContact CA-O 3.25Å; N434-M440 WeakPolarHBondContact CA-O 3.13Å; V435-M440 HydrophobicContact CB-CE 3.48Å; V435-M440 VanDerWaalsContact CB-CE 3.48Å; V435-M440 HydrophobicContact CG1-CE 3.46Å; V435-M440 VanDerWaalsContact CG1-CE 3.46Å; V435-M440 HydrophobicContact CG2-CE 4.02Å; V435-M440 PolarHBondContact N-O 2.03Å; T438-M440 PolarHBondContact O-N 3.48Å; T438-M440 WeakPolarHBondContact OG1-CB 3.43Å; T438-M440 PolarHBondContact OG1-N 3.27Å; T438-M440 VanDerWaalsContact OG1-N 3.07Å; M440-N449 HydrophobicContact CG-CB 4.02Å; M440-N449 WeakPolarHBondContact CG-OD1 3.09Å; M440-Y452 HydrophobicContact CB-CD2 3.43Å; M440-Y452 VanDerWaalsContact CB-CD2 3.43Å; M440-Y452 HydrophobicContact CB-CE2 3.63Å; M440-Y452 HydrophobicContact CB-CG 3.9Å; M440-Y452 HydrophobicContact CG-CD2 3.48Å; M440-Y452 VanDerWaalsContact CG-CD2 3.48Å; M440-Y452 HydrophobicContact CG-CE2 4.13Å; M440-Y452 HydrophobicContact CG-CG 3.99Å; M440-Y452 WeakPolarHBondContact SD-CB 3.4Å; M440-Y452 HydrophobicContact SD-CD2 4.01Å; M440-Y452 HydrophobicContact SD-CG 3.93Å; M440-H456 WeakPolarHBondContact CE-NE2 3.38Å; M440-Y462 WeakPolarHBondContact CE-OH 3.43Å; M440-Y462 HydrophobicContact SD-CE2 3.88Å; M440-Y462 PolarHBondContact SD-OH 3.01Å
441	N	83.7	Confident	80.8	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.			trans	-90.7	167.7	167.9	64.8	68.1	0	0	0	110.5	N206 I340 M431 F432 T439 H443 D446 N449	N206-N441 PolarHBondContact ND2-ND2 2.96Å; I340-N441 HydrophobicContact CD1-CB 3.38Å; M431-N441 HydrophobicContact CE-CB 3.92Å; F432-N441 CarbonylContact O-C 3.59Å; F432-N441 WeakPolarHBondContact O-CA 3.43Å; F432-N441 WeakPolarHBondContact O-CB 3.19Å; T439-N441 PolarHBondContact O-N 3.28Å; N441-H443 VanDerWaalsContact C-N 3.29Å; N441-H443 PolarHBondContact O-N 3.43Å; N441-H443 WeakPolarHBondContact OD1-CB 3.02Å; N441-H443 PolarHBondContact OD1-N 3.38Å; N441-D446 PolarHBondContact ND2-OD2 2.84Å; N441-N449 PolarHBondContact N-OD1 2.96Å; N441-N449 PolarHBondContact O-ND2 3.36Å; N441-N449 PolarHBondContact OD1-ND2 3.07Å
442	S	87.3	Confident	80.8	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-86.1	10.3	-178.2	59.3	0	0	0	0	115.3	A382 Y383 M431 F432	A382-S442 WeakPolarHBondContact CA-O 3.33Å; A382-S442 WeakPolarHBondContact CB-O 3.45Å; Y383-S442 WeakPolarHBondContact CD1-O 3.49Å; Y383-S442 VanDerWaalsContact CD2-CB 3.44Å; Y383-S442 WeakPolarHBondContact CE1-O 3.07Å; Y383-S442 PolarHBondContact N-O 2.85Å; Y383-S442 WeakPolarHBondContact O-CB 3.49Å; Y383-S442 PolarHBondContact O-OG 3.27Å; M431-S442 WeakPolarHBondContact CB-OG 3.33Å; M431-S442 WeakPolarHBondContact CE-OG 3.43Å; F432-S442 PolarHBondContact N-OG 2.94Å; F432-S442 PolarHBondContact O-N 2.95Å; F432-S442 PolarHBondContact O-OG 2.98Å
443	H	87.4	Confident	80.9	Confident	22 Å²	22	46.5 Å²	46.5	10%	0.102	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-78.7	125	-180	179.7	-111.4	0	0	0	111.9	I340 M341 I380 N381 A382 M431 N441 G445 D446 N449	I340-H443 HydrophobicContact CG2-CB 4.44Å; M341-H443 HydrophobicContact CE-CB 3.73Å; M341-H443 WeakPolarHBondContact CE-CD2 3.3Å; M341-H443 WeakPolarHBondContact CE-CE1 3.09Å; M341-H443 WeakPolarHBondContact CE-ND1 3.47Å; M341-H443 WeakPolarHBondContact CE-NE2 3.49Å; M341-H443 PolarHBondContact SD-CD2 3.25Å; M341-H443 VanDerWaalsContact SD-CE1 3.56Å; M341-H443 PolarHBondContact SD-NE2 2.81Å; I380-H443 PolarHBondContact O-CD2 2.04Å; I380-H443 PolarHBondContact O-NE2 3.08Å; N381-H443 PolarHBondContact O-CD2 2.86Å; A382-H443 HydrophobicContact CB-CB 4.26Å; M431-H443 HydrophobicContact CE-CB 3.81Å; N441-H443 VanDerWaalsContact C-N 3.29Å; N441-H443 PolarHBondContact O-N 3.43Å; N441-H443 WeakPolarHBondContact OD1-CB 3.02Å; N441-H443 PolarHBondContact OD1-N 3.38Å; H443-G445 VanDerWaalsContact CE1-C 3.5Å; H443-G445 WeakPolarHBondContact CE1-CA 3.44Å; H443-G445 PolarHBondContact CE1-N 3.28Å; H443-G445 PolarHBondContact ND1-N 3.11Å; H443-G445 PolarHBondContact O-N 3.07Å; H443-D446 HydrophobicContact CB-CB 4.25Å; H443-D446 PolarHBondContact ND1-N 3.2Å; H443-D446 PolarHBondContact O-N 2.85Å; H443-N449 PolarHBondContact O-ND2 3.27Å; H443-N449 VanDerWaalsContact O-ND2 3.11Å
444	C	90.4	Very high	81	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-29.8	-174.7	-59.3	0	0	0	0	112.9	N381 D446 Y462 G463 S466 C468 C487	N381-C444 WeakPolarHBondContact O-CB 3.3Å; N381-C444 PolarHBondContact O-N 2.99Å; C444-D446 VanDerWaalsContact C-N 3.3Å; C444-D446 PolarHBondContact O-N 2.76Å; C444-Y462 WeakPolarHBondContact O-CA 3.01Å; C444-G463 PolarHBondContact O-N 3.37Å; C444-S466 VanDerWaalsContact O-CB 3.29Å; C444-S466 WeakPolarHBondContact O-CB 3.38Å; C444-C468 WeakPolarHBondContact SG-CA 3.49Å; C444-C468 VanDerWaalsContact SG-CB 3.59Å; C444-C468 PolarHBondContact SG-N 3.26Å; C444-C487 WeakPolarHBondContact CA-SG 3.23Å; C444-C487 HydrophobicContact CB-CB 3.51Å; C444-C487 WeakPolarHBondContact CB-SG 3.3Å; C444-C487 WeakPolarHBondContact SG-CA 3.48Å; C444-C487 WeakPolarHBondContact SG-CB 3.32Å; C444-C487 CovalentContact SG-SG 2.03Å; C444-C487 PolarHBondContact SG-SG 3.28Å
445	G	88.6	Confident	80.8	Confident	17 Å²	17	50.3 Å²	50.3	18%	0.175	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-9	178.2	0	0	0	0	0	114.8	N381 H443 I447 G463	N381-G445 PolarHBondContact ND2-N 3.26Å; H443-G445 VanDerWaalsContact CE1-C 3.5Å; H443-G445 WeakPolarHBondContact CE1-CA 3.44Å; H443-G445 PolarHBondContact CE1-N 3.28Å; H443-G445 PolarHBondContact ND1-N 3.11Å; H443-G445 PolarHBondContact O-N 3.07Å; G445-I447 PolarHBondContact O-N 3.15Å; G445-G463 WeakPolarHBondContact CA-O 3.47Å; G445-G463 CarbonylContact O-C 3.57Å
446	D	84.5	Confident	80.3	Confident	12 Å²	12	51 Å²	51	6%	0.064	27%	0.271	C	S	.	.			trans	-76.1	112.2	-173.8	-166.9	-19.4	0	0	0	110	R212 N441 H443 C444 N448 N449	R212-D446 IonicContact NH2-OD2 3.7Å; N441-D446 PolarHBondContact ND2-OD2 2.84Å; H443-D446 HydrophobicContact CB-CB 4.25Å; H443-D446 PolarHBondContact ND1-N 3.2Å; H443-D446 PolarHBondContact O-N 2.85Å; C444-D446 VanDerWaalsContact C-N 3.3Å; C444-D446 PolarHBondContact O-N 2.76Å; D446-N448 PolarHBondContact O-N 2.86Å; D446-N448 VanDerWaalsContact OD1-CB 3.32Å; D446-N448 WeakPolarHBondContact OD1-CB 3.37Å; D446-N448 PolarHBondContact OD1-N 2.93Å; D446-N449 PolarHBondContact O-N 3.42Å
447	I	85.5	Confident	79.6	Confident	62 Å²	62	50.6 Å²	50.6	32%	0.318	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-66.3	-22.9	-179.1	61.8	170.8	0	0	0	112.3	G445 N449 R450 K464	G445-I447 PolarHBondContact O-N 3.15Å; I447-N449 PolarHBondContact O-N 2.86Å; I447-R450 WeakPolarHBondContact O-CB 3.27Å; I447-R450 WeakPolarHBondContact O-CG 3.46Å; I447-R450 PolarHBondContact O-N 3.36Å; I447-K464 HydrophobicContact CG2-CG 4.49Å
448	N	81.8	Confident	79.2	Confident	34 Å²	34	46.6 Å²	46.6	18%	0.182	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-69.9	-23.7	178.7	-63.3	-27.8	0	0	0	111.4	N206 G208 D446 R450 K451	N206-N448 PolarHBondContact OD1-ND2 3.48Å; G208-N448 PolarHBondContact N-ND2 2.79Å; D446-N448 PolarHBondContact O-N 2.86Å; D446-N448 VanDerWaalsContact OD1-CB 3.32Å; D446-N448 WeakPolarHBondContact OD1-CB 3.37Å; D446-N448 PolarHBondContact OD1-N 2.93Å; N448-R450 PolarHBondContact O-N 3.39Å; N448-K451 WeakPolarHBondContact O-CE 3.18Å; N448-K451 WeakPolarHBondContact O-CG 3.49Å
449	N	86.1	Confident	79	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.011	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-74.6	-11	177.4	-68.5	-19.1	0	0	0	113.1	M440 N441 H443 D446 I447 K451 Y452 Y462	M440-N449 HydrophobicContact CG-CB 4.02Å; M440-N449 WeakPolarHBondContact CG-OD1 3.09Å; N441-N449 PolarHBondContact N-OD1 2.96Å; N441-N449 PolarHBondContact O-ND2 3.36Å; N441-N449 PolarHBondContact OD1-ND2 3.07Å; H443-N449 PolarHBondContact O-ND2 3.27Å; H443-N449 VanDerWaalsContact O-ND2 3.11Å; D446-N449 PolarHBondContact O-N 3.42Å; I447-N449 PolarHBondContact O-N 2.86Å; N449-K451 PolarHBondContact O-N 2.86Å; N449-K451 VanDerWaalsContact O-N 3.13Å; N449-Y452 PolarHBondContact O-N 2.77Å; N449-Y462 HydrophobicContact CB-CD1 3.43Å; N449-Y462 VanDerWaalsContact CB-CD1 3.43Å; N449-Y462 HydrophobicContact CB-CD2 3.86Å; N449-Y462 HydrophobicContact CB-CE1 3.86Å; N449-Y462 HydrophobicContact CB-CE2 4.25Å; N449-Y462 HydrophobicContact CB-CG 3.43Å; N449-Y462 VanDerWaalsContact CB-CG 3.43Å; N449-Y462 WeakPolarHBondContact O-CD2 3.16Å
450	R	86.9	Confident	79.5	Confident	117 Å²	117	46 Å²	46	44%	0.442	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-57.2	-28.6	177.9	-75.2	178.8	173.6	-172.4	-6.1	113.7	I447 N448 Y452 Q453 Y462	I447-R450 WeakPolarHBondContact O-CB 3.27Å; I447-R450 WeakPolarHBondContact O-CG 3.46Å; I447-R450 PolarHBondContact O-N 3.36Å; N448-R450 PolarHBondContact O-N 3.39Å; R450-Y452 PolarHBondContact O-N 3.11Å; R450-Q453 WeakPolarHBondContact O-CB 3.45Å; R450-Q453 PolarHBondContact O-N 3.5Å; R450-Y462 WeakPolarHBondContact CG-O 3.21Å; R450-Y462 PolarHBondContact NE-O 3.43Å
451	K	83.6	Confident	79.9	Confident	112 Å²	112	48.1 Å²	48.1	49%	0.487	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-66.8	-13.7	176.3	68.8	-169.6	169.8	174.3	0	113.9	S205 N448 N449	S205-K451 PolarHBondContact O-NZ 2.67Å; N448-K451 WeakPolarHBondContact O-CE 3.18Å; N448-K451 WeakPolarHBondContact O-CG 3.49Å; N449-K451 PolarHBondContact O-N 2.86Å; N449-K451 VanDerWaalsContact O-N 3.13Å
452	Y	81.3	Confident	80.2	Confident	37 Å²	37	48.3 Å²	48.3	15%	0.145	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-106.9	9.8	178.1	-55.1	-71.1	0	0	0	112.8	T438 T439 M440 N449 R450 D454 V455	T438-Y452 HydrophobicContact CG2-CE1 4.23Å; T439-Y452 PolarHBondContact OG1-OH 3.12Å; M440-Y452 HydrophobicContact CB-CD2 3.43Å; M440-Y452 VanDerWaalsContact CB-CD2 3.43Å; M440-Y452 HydrophobicContact CB-CE2 3.63Å; M440-Y452 HydrophobicContact CB-CG 3.9Å; M440-Y452 HydrophobicContact CG-CD2 3.48Å; M440-Y452 VanDerWaalsContact CG-CD2 3.48Å; M440-Y452 HydrophobicContact CG-CE2 4.13Å; M440-Y452 HydrophobicContact CG-CG 3.99Å; M440-Y452 WeakPolarHBondContact SD-CB 3.4Å; M440-Y452 HydrophobicContact SD-CD2 4.01Å; M440-Y452 HydrophobicContact SD-CG 3.93Å; N449-Y452 PolarHBondContact O-N 2.77Å; R450-Y452 PolarHBondContact O-N 3.11Å; Y452-D454 PolarHBondContact O-N 3.14Å; Y452-V455 HydrophobicContact CD1-CG2 4.31Å; Y452-V455 WeakPolarHBondContact O-CB 3.28Å; Y452-V455 PolarHBondContact O-N 3.29Å; Y452-V455 VanDerWaalsContact O-N 3.11Å
453	Q	81.3	Confident	80.3	Confident	46 Å²	46	48.3 Å²	48.3	22%	0.215	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-61.3	-35.3	-172.3	-160	173.6	-35.2	0	0	112.7	R450 Q460	R450-Q453 WeakPolarHBondContact O-CB 3.45Å; R450-Q453 PolarHBondContact O-N 3.5Å; Q453-Q460 WeakPolarHBondContact CG-O 3.36Å; Q453-Q460 PolarHBondContact NE2-O 3.11Å
454	D	74.4	Confident	80.2	Confident	159 Å²	159	55.3 Å²	55.3	85%	0.85	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-89	-1.6	-179.6	-56	-47.5	0	0	0	113.8	Y452 H456	Y452-D454 PolarHBondContact O-N 3.14Å; D454-H456 VanDerWaalsContact C-N 3.3Å; D454-H456 PolarHBondContact O-N 3.35Å
455	V	68.6	Low	80.2	Confident	84 Å²	84	62.2 Å²	62.2	51%	0.509	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-77.8	-19.1	-177.9	-178.5	0	0	0	0	111.7	Y452	Y452-V455 HydrophobicContact CD1-CG2 4.31Å; Y452-V455 WeakPolarHBondContact O-CB 3.28Å; Y452-V455 PolarHBondContact O-N 3.29Å; Y452-V455 VanDerWaalsContact O-N 3.11Å
456	H	63.9	Low	80.3	Confident	34 Å²	34	61.6 Å²	61.6	16%	0.157	31%	0.307	C	S	.	.	S	Bend	trans	-107.7	133.9	-176.7	-65.6	-78.7	0	0	0	112.2	L436 M440 D454 D458 Q460	L436-H456 WeakPolarHBondContact CD1-CE1 3.06Å; M440-H456 WeakPolarHBondContact CE-NE2 3.38Å; D454-H456 VanDerWaalsContact C-N 3.3Å; D454-H456 PolarHBondContact O-N 3.35Å; H456-D458 PolarHBondContact O-N 2.88Å; H456-D458 VanDerWaalsContact O-N 3.14Å; H456-Q460 HydrophobicContact CB-CG 3.97Å; H456-Q460 PolarHBondContact CD2-NE2 3.13Å; H456-Q460 VanDerWaalsContact CG-NE2 3.31Å
457	S	56.8	Low	80.7	Confident	111 Å²	111	64.1 Å²	64.1	78%	0.776	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.8	178.3	46.8	0	0	0	0	114.4	S459	S457-S459 PolarHBondContact O-N 3.23Å
458	D	63.7	Low	80.9	Confident	49 Å²	49	61.8 Å²	61.8	26%	0.262	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	12.6	-170.5	-61.1	-54.8	0	0	0	114.9	H456 Y471 R503	H456-D458 PolarHBondContact O-N 2.88Å; H456-D458 VanDerWaalsContact O-N 3.14Å; D458-Y471 HydrophobicContact CB-CE2 4.34Å; D458-Y471 VanDerWaalsContact CB-OH 3.26Å; D458-Y471 WeakPolarHBondContact CB-OH 3.5Å; D458-Y471 VanDerWaalsContact CG-OH 3.26Å; D458-Y471 PolarHBondContact OD2-OH 3Å; D458-R503 IonicContact OD1-NH1 3.61Å
459	S	68.8	Low	81.4	Confident	55 Å²	55	60.2 Å²	60.2	39%	0.385	30%	0.296	S	S	.	.			trans	54.8	63.1	-177.6	-52.5	0	0	0	0	111.8	S457 Y461	S457-S459 PolarHBondContact O-N 3.23Å; S459-Y461 WeakPolarHBondContact O-CD2 3.5Å; S459-Y461 WeakPolarHBondContact O-CE2 3.01Å
460	Q	83.5	Confident	81.6	Confident	11 Å²	11	61.7 Å²	61.7	5%	0.051	30%	0.304	C	S	.	.			trans	-68.6	152.8	172.3	-63.3	-154.1	54.3	0	0	110	Q453 H456 Y462 C487	Q453-Q460 WeakPolarHBondContact CG-O 3.36Å; Q453-Q460 PolarHBondContact NE2-O 3.11Å; H456-Q460 HydrophobicContact CB-CG 3.97Å; H456-Q460 PolarHBondContact CD2-NE2 3.13Å; H456-Q460 VanDerWaalsContact CG-NE2 3.31Å; Q460-Y462 HydrophobicContact CB-CE2 3.95Å; Q460-Y462 PolarHBondContact OE1-OH 3.04Å; Q460-Y462 VanDerWaalsContact OE1-OH 3.08Å; Q460-C487 CarbonylContact C-O 3.53Å; Q460-C487 WeakPolarHBondContact CA-O 3.23Å
461	Y	90.1	Very high	81.8	Confident	46 Å²	46	56.5 Å²	56.5	18%	0.18	28%	0.284	C	S	.	.			trans	-130.7	130.8	177.5	-72.4	-94.9	0	0	0	109.6	S459 S466 C487 Q489 Y501	S459-Y461 WeakPolarHBondContact O-CD2 3.5Å; S459-Y461 WeakPolarHBondContact O-CE2 3.01Å; Y461-S466 WeakPolarHBondContact O-CB 3.43Å; Y461-S466 PolarHBondContact O-OG 2.95Å; Y461-C487 PolarHBondContact N-O 2.87Å; Y461-C487 WeakPolarHBondContact O-CB 2.91Å; Y461-Q489 HydrophobicContact CD1-CB 4.17Å; Y461-Q489 HydrophobicContact CD2-CB 4.48Å; Y461-Q489 HydrophobicContact CG-CB 4Å; Y461-Y501 AromaticContact CE2-CD1 3.64Å; Y461-Y501 HydrophobicContact CE2-CD1 3.64Å; Y461-Y501 HydrophobicContact CE2-CE1 4.03Å; Y461-Y501 AromaticContact CZ-CD1 3.7Å; Y461-Y501 AromaticContact CZ-CE1 3.77Å; Y461-Y501 WeakPolarHBondContact OH-CE1 3.37Å
462	Y	90.1	Very high	82	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.016	26%	0.261	C	S	.	.			trans	-118.7	144.7	-180	-64	-79.2	0	0	0	113.1	Y383 M440 C444 N449 R450 Q460 S466 C487	Y383-Y462 PolarHBondContact OH-OH 3.19Å; M440-Y462 WeakPolarHBondContact CE-OH 3.43Å; M440-Y462 HydrophobicContact SD-CE2 3.88Å; M440-Y462 PolarHBondContact SD-OH 3.01Å; C444-Y462 WeakPolarHBondContact O-CA 3.01Å; N449-Y462 HydrophobicContact CB-CD1 3.43Å; N449-Y462 VanDerWaalsContact CB-CD1 3.43Å; N449-Y462 HydrophobicContact CB-CD2 3.86Å; N449-Y462 HydrophobicContact CB-CE1 3.86Å; N449-Y462 HydrophobicContact CB-CE2 4.25Å; N449-Y462 HydrophobicContact CB-CG 3.43Å; N449-Y462 VanDerWaalsContact CB-CG 3.43Å; N449-Y462 WeakPolarHBondContact O-CD2 3.16Å; R450-Y462 WeakPolarHBondContact CG-O 3.21Å; R450-Y462 PolarHBondContact NE-O 3.43Å; Q460-Y462 HydrophobicContact CB-CE2 3.95Å; Q460-Y462 PolarHBondContact OE1-OH 3.04Å; Q460-Y462 VanDerWaalsContact OE1-OH 3.08Å; Y462-S466 PolarHBondContact N-OG 3.06Å; Y462-C487 HydrophobicContact CD1-CB 4.18Å; Y462-C487 HydrophobicContact CE1-CB 3.97Å; Y462-C487 WeakPolarHBondContact CE1-SG 3.45Å
463	G	88.9	Confident	82.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	126.5	-172.6	172.9	0	0	0	0	0	113.9	C444 G445 K465 S466	C444-G463 PolarHBondContact O-N 3.37Å; G445-G463 WeakPolarHBondContact CA-O 3.47Å; G445-G463 CarbonylContact O-C 3.57Å; G463-K465 PolarHBondContact O-N 3.03Å; G463-S466 WeakPolarHBondContact O-CB 3.39Å; G463-S466 PolarHBondContact O-N 3.47Å
464	K	85.9	Confident	82.6	Confident	169 Å²	169	48.1 Å²	48.1	74%	0.735	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-31.3	-167.3	-63.8	-176.1	179	-179.8	0	115.6	I447 R467	I447-K464 HydrophobicContact CG2-CG 4.49Å; K464-R467 PolarHBondContact O-NH1 2.89Å
465	K	89.4	Confident	83.1	Confident	145 Å²	145	44.9 Å²	44.9	63%	0.63	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	13.4	-179.9	-65.2	-173.1	179.8	176.8	0	113.4	G463 V490	G463-K465 PolarHBondContact O-N 3.03Å; K465-V490 PolarHBondContact O-N 2.91Å
466	S	92	Very high	83.6	Confident	5 Å²	5	46 Å²	46	4%	0.035	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	141.5	177.3	-63.1	0	0	0	0	111	N381 C444 Y461 Y462 G463 F488	N381-S466 PolarHBondContact ND2-O 2.74Å; N381-S466 VanDerWaalsContact ND2-O 3.16Å; C444-S466 VanDerWaalsContact O-CB 3.29Å; C444-S466 WeakPolarHBondContact O-CB 3.38Å; Y461-S466 WeakPolarHBondContact O-CB 3.43Å; Y461-S466 PolarHBondContact O-OG 2.95Å; Y462-S466 PolarHBondContact N-OG 3.06Å; G463-S466 WeakPolarHBondContact O-CB 3.39Å; G463-S466 PolarHBondContact O-N 3.47Å; S466-F488 CarbonylContact C-O 3.5Å; S466-F488 VanDerWaalsContact CA-O 3.25Å; S466-F488 WeakPolarHBondContact CA-O 3.37Å
467	R	91.3	Very high	83.8	Confident	65 Å²	65	49 Å²	49	25%	0.245	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.1	173.6	-63.2	-66.9	180	-87.4	-3.9	111.7	N381 K464 F469 C487 F488 V490 A536	N381-R467 WeakPolarHBondContact OD1-CA 3.44Å; N381-R467 VanDerWaalsContact OD1-CD 3.26Å; N381-R467 WeakPolarHBondContact OD1-CD 3.46Å; K464-R467 PolarHBondContact O-NH1 2.89Å; R467-F469 HydrophobicContact CB-CD2 4.35Å; R467-F469 HydrophobicContact CB-CE2 3.65Å; R467-F469 HydrophobicContact CB-CZ 4.29Å; R467-F469 VanDerWaalsContact O-CD2 3.28Å; R467-F469 WeakPolarHBondContact O-CD2 3.35Å; R467-C487 WeakPolarHBondContact O-CA 3.49Å; R467-F488 PolarHBondContact N-O 3.04Å; R467-F488 PolarHBondContact O-N 2.99Å; R467-V490 HydrophobicContact CB-CG2 3.81Å; R467-V490 HydrophobicContact CG-CB 4.46Å; R467-V490 HydrophobicContact CG-CG2 3.79Å; R467-A536 PolarHBondContact NE-O 3.04Å; R467-A536 PolarHBondContact NH2-O 2.99Å
468	C	91.1	Very high	84.3	Confident	12 Å²	12	46.7 Å²	46.7	8%	0.081	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	131.8	173.2	-162.9	0	0	0	0	110.3	C376 N381 A382 Y383 C444 G486	C376-C468 WeakPolarHBondContact CA-SG 3.37Å; C376-C468 HydrophobicContact CB-CB 3.79Å; C376-C468 WeakPolarHBondContact CB-SG 3.22Å; C376-C468 VanDerWaalsContact SG-CA 3.56Å; C376-C468 WeakPolarHBondContact SG-CB 3.19Å; C376-C468 CovalentContact SG-SG 2.03Å; C376-C468 PolarHBondContact SG-SG 2.97Å; N381-C468 PolarHBondContact OD1-N 3.07Å; A382-C468 PolarHBondContact O-SG 3.01Å; A382-C468 VanDerWaalsContact O-SG 3.34Å; Y383-C468 PolarHBondContact N-SG 3.44Å; Y383-C468 VanDerWaalsContact N-SG 3.38Å; C444-C468 WeakPolarHBondContact SG-CA 3.49Å; C444-C468 VanDerWaalsContact SG-CB 3.59Å; C444-C468 PolarHBondContact SG-N 3.26Å; C468-G486 WeakPolarHBondContact CA-O 3.45Å
469	F	92	Very high	84.5	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.009	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.8	170.6	-63	-109.1	0	0	0	111.2	C376 R467 S485 G486 F488 V490 V500 I528 E529 P531	C376-F469 WeakPolarHBondContact SG-CA 3.38Å; C376-F469 PolarHBondContact SG-N 3.1Å; C376-F469 PolarHBondContact SG-O 3.1Å; R467-F469 HydrophobicContact CB-CD2 4.35Å; R467-F469 HydrophobicContact CB-CE2 3.65Å; R467-F469 HydrophobicContact CB-CZ 4.29Å; R467-F469 VanDerWaalsContact O-CD2 3.28Å; R467-F469 WeakPolarHBondContact O-CD2 3.35Å; F469-S485 WeakPolarHBondContact O-CA 3.32Å; F469-G486 PolarHBondContact N-O 2.91Å; F469-G486 PolarHBondContact O-N 2.85Å; F469-G486 VanDerWaalsContact O-N 3.07Å; F469-F488 HydrophobicContact CB-CD2 3.78Å; F469-F488 HydrophobicContact CB-CE2 4.18Å; F469-F488 HydrophobicContact CD2-CB 3.76Å; F469-F488 AromaticContact CD2-CD2 3.85Å; F469-F488 HydrophobicContact CD2-CD2 3.85Å; F469-F488 HydrophobicContact CD2-CG 4.23Å; F469-F488 HydrophobicContact CE2-CB 3.98Å; F469-F488 HydrophobicContact CG-CD2 4.13Å; F469-V490 HydrophobicContact CE2-CG2 3.62Å; F469-V490 HydrophobicContact CZ-CG2 3.6Å; F469-V500 HydrophobicContact CD1-CG2 4.29Å; F469-V500 HydrophobicContact CD2-CG2 4.25Å; F469-V500 HydrophobicContact CE1-CB 4.11Å; F469-V500 HydrophobicContact CE1-CG2 3.87Å; F469-V500 HydrophobicContact CE2-CG2 3.81Å; F469-V500 HydrophobicContact CG-CG2 4.5Å; F469-V500 HydrophobicContact CZ-CB 4.01Å; F469-V500 HydrophobicContact CZ-CG2 3.64Å; F469-I528 HydrophobicContact CB-CD1 3.78Å; F469-I528 HydrophobicContact CB-CG1 3.8Å; F469-I528 HydrophobicContact CD1-CD1 3.86Å; F469-I528 HydrophobicContact CD1-CG1 3.88Å; F469-I528 HydrophobicContact CG-CD1 3.86Å; F469-I528 HydrophobicContact CG-CG1 4.13Å; F469-E529 VanDerWaalsContact CD1-O 3.3Å; F469-E529 WeakPolarHBondContact CD1-O 3.39Å; F469-P531 HydrophobicContact CE1-CG 4.29Å
470	N	89.9	Confident	84.9	Confident	33 Å²	33	57.2 Å²	57.2	18%	0.176	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	137	160.5	-58.8	-42.3	0	0	0	107.6	C376 F484 S485 W527 E529	C376-N470 PolarHBondContact N-OD1 3.2Å; N470-F484 WeakPolarHBondContact CA-O 3.48Å; N470-S485 PolarHBondContact OD1-OG 3.3Å; N470-W527 HydrophobicContact CB-CZ3 4.37Å; N470-E529 HydrophobicContact CB-CB 4.15Å; N470-E529 WeakPolarHBondContact CB-OE2 3.3Å; N470-E529 PolarHBondContact ND2-OE2 2.88Å; N470-E529 PolarHBondContact O-N 2.8Å
471	Y	90.8	Very high	84.6	Confident	7 Å²	7	60 Å²	60	3%	0.027	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	167.4	179.1	73.4	-77.6	0	0	0	110.3	D458 F484 F488 F502 W527	D458-Y471 HydrophobicContact CB-CE2 4.34Å; D458-Y471 VanDerWaalsContact CB-OH 3.26Å; D458-Y471 WeakPolarHBondContact CB-OH 3.5Å; D458-Y471 VanDerWaalsContact CG-OH 3.26Å; D458-Y471 PolarHBondContact OD2-OH 3Å; Y471-F484 HydrophobicContact CD1-CB 4.07Å; Y471-F484 HydrophobicContact CE1-CB 3.57Å; Y471-F484 HydrophobicContact CE2-CB 4.08Å; Y471-F484 HydrophobicContact CE2-CD2 4.16Å; Y471-F484 HydrophobicContact CE2-CG 4.45Å; Y471-F484 PolarHBondContact N-O 2.94Å; Y471-F484 PolarHBondContact O-N 3.24Å; Y471-F484 VanDerWaalsContact O-O 3.08Å; Y471-F488 AromaticContact CD1-CE2 3.56Å; Y471-F488 HydrophobicContact CD1-CE2 3.56Å; Y471-F488 AromaticContact CD1-CZ 3.7Å; Y471-F488 HydrophobicContact CD1-CZ 3.7Å; Y471-F488 HydrophobicContact CD2-CZ 4.19Å; Y471-F488 AromaticContact CE1-CE2 3.87Å; Y471-F488 HydrophobicContact CE1-CE2 3.87Å; Y471-F488 AromaticContact CE1-CZ 3.84Å; Y471-F488 HydrophobicContact CE1-CZ 3.84Å; Y471-F488 HydrophobicContact CE2-CZ 4.31Å; Y471-F488 HydrophobicContact CG-CE2 4.06Å; Y471-F488 AromaticContact CG-CZ 3.88Å; Y471-F488 HydrophobicContact CG-CZ 3.88Å; Y471-F502 HydrophobicContact CD2-CE2 4.04Å; Y471-F502 HydrophobicContact CG-CE2 4.35Å; Y471-W527 CarbonylContact C-O 3.5Å; Y471-W527 VanDerWaalsContact CA-O 3.26Å; Y471-W527 WeakPolarHBondContact CA-O 3.49Å; Y471-W527 WeakPolarHBondContact CB-O 3.41Å
472	G	89.3	Confident	84.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175	-175.6	-177.7	0	0	0	0	0	115.1	W482 D526 W527	G472-W482 CarbonylContact C-O 3.55Å; G472-W482 WeakPolarHBondContact CA-O 3.34Å; G472-D526 CarbonylContact O-C 3.5Å; G472-D526 VanDerWaalsContact O-CA 3.3Å; G472-D526 WeakPolarHBondContact O-CA 3.29Å; G472-W527 PolarHBondContact N-O 3.03Å; G472-W527 PolarHBondContact O-N 3.34Å
473	T	87.8	Confident	83.8	Confident	9 Å²	9	67.9 Å²	67.9	6%	0.055	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129.8	176.9	-65.8	0	0	0	0	108.4	Y475 S481 W482 R524 D526	T473-Y475 HydrophobicContact CG2-CD2 4.03Å; T473-Y475 HydrophobicContact CG2-CE2 3.54Å; T473-S481 WeakPolarHBondContact O-CA 3.49Å; T473-W482 PolarHBondContact N-O 3.07Å; T473-W482 PolarHBondContact O-N 3.28Å; T473-R524 HydrophobicContact CG2-CG 3.66Å; T473-R524 PolarHBondContact OG1-NH2 3.45Å; T473-D526 WeakPolarHBondContact CB-OD1 3.4Å; T473-D526 WeakPolarHBondContact CG2-OD1 3.37Å; T473-D526 PolarHBondContact OG1-OD1 2.92Å
474	T	87.3	Confident	83.7	Confident	11 Å²	11	71.9 Å²	71.9	7%	0.067	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.3	173.8	-55.8	0	0	0	0	109.5	S481 R524 Y525 W527	T474-S481 PolarHBondContact OG1-OG 3.32Å; T474-S481 VanDerWaalsContact OG1-OG 3.12Å; T474-R524 WeakPolarHBondContact O-CA 3.45Å; T474-Y525 HydrophobicContact CG2-CE1 3.76Å; T474-Y525 PolarHBondContact N-O 3.28Å; T474-Y525 PolarHBondContact O-N 3.12Å; T474-Y525 PolarHBondContact OG1-OH 3.24Å; T474-W527 PolarHBondContact OG1-NE1 3.26Å
475	Y	84.7	Confident	83.8	Confident	90 Å²	90	64.3 Å²	64.3	35%	0.353	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.1	171.6	-66.6	-92.8	0	0	0	108.5	T473 S477 R480 W482 R524	T473-Y475 HydrophobicContact CG2-CD2 4.03Å; T473-Y475 HydrophobicContact CG2-CE2 3.54Å; Y475-S477 VanDerWaalsContact C-N 3.26Å; Y475-S477 PolarHBondContact O-N 2.87Å; Y475-R480 PolarHBondContact N-O 2.7Å; Y475-W482 AromaticContact CE2-CD1 3.98Å; Y475-R524 HydrophobicContact CD1-CB 4.27Å; Y475-R524 HydrophobicContact CD1-CG 4.29Å; Y475-R524 HydrophobicContact CE1-CB 4.46Å; Y475-R524 HydrophobicContact CE1-CG 4.18Å
476	M	78.1	Confident	83.8	Confident	107 Å²	107	57.4 Å²	57.4	53%	0.527	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-32.9	-179	-57.5	-170	-137.9	0	0	111.1	G478 N522 T523 Y525	M476-G478 PolarHBondContact O-N 3.48Å; M476-N522 WeakPolarHBondContact CE-O 3.36Å; M476-T523 PolarHBondContact N-O 3.11Å; M476-Y525 HydrophobicContact CE-CD1 4.45Å
477	S	69.5	Low	83.8	Confident	99 Å²	99	57.2 Å²	57.2	69%	0.692	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	113.1	171.6	-175.2	0	0	0	0	110.6	Y475	Y475-S477 VanDerWaalsContact C-N 3.26Å; Y475-S477 PolarHBondContact O-N 2.87Å
478	G	66.1	Low	83.9	Confident	62 Å²	62	54.4 Å²	54.4	64%	0.639	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	7.7	176	0	0	0	0	0	116.1	M476 R480	M476-G478 PolarHBondContact O-N 3.48Å; G478-R480 PolarHBondContact O-N 2.76Å; G478-R480 VanDerWaalsContact O-N 3.11Å
479	N	68.4	Low	84	Confident	146 Å²	146	56.9 Å²	56.9	78%	0.781	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	37	177.6	-153.9	18.3	0	0	0	113.7
480	R	76.9	Confident	84	Confident	179 Å²	179	57.1 Å²	57.1	68%	0.675	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	120.9	178.9	-66.9	-173.2	-169.9	178.8	4.2	109.4	Y475 G478	Y475-R480 PolarHBondContact N-O 2.7Å; G478-R480 PolarHBondContact O-N 2.76Å; G478-R480 VanDerWaalsContact O-N 3.11Å
481	S	77.9	Confident	84.3	Confident	68 Å²	68	61.3 Å²	61.3	48%	0.476	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.7	175	-165.4	0	0	0	0	110.1	T473 T474	T473-S481 WeakPolarHBondContact O-CA 3.49Å; T474-S481 PolarHBondContact OG1-OG 3.32Å; T474-S481 VanDerWaalsContact OG1-OG 3.12Å
482	W	79.6	Confident	84.4	Confident	146 Å²	146	62.2 Å²	62.2	55%	0.553	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.5	171.5	-61.7	90.6	0	0	0	108.3	G472 T473 Y475 F484	G472-W482 CarbonylContact C-O 3.55Å; G472-W482 WeakPolarHBondContact CA-O 3.34Å; T473-W482 PolarHBondContact N-O 3.07Å; T473-W482 PolarHBondContact O-N 3.28Å; Y475-W482 AromaticContact CE2-CD1 3.98Å; W482-F484 HydrophobicContact CB-CE2 3.66Å; W482-F484 HydrophobicContact CB-CZ 3.82Å
483	S	82.8	Confident	84.6	Confident	70 Å²	70	63.5 Å²	63.5	49%	0.49	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.9	175.6	60	0	0	0	0	110.2
484	F	86	Confident	84.7	Confident	84 Å²	84	65 Å²	65	37%	0.368	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	172.6	177.2	-52.4	-79.8	0	0	0	109.1	N470 Y471 W482	N470-F484 WeakPolarHBondContact CA-O 3.48Å; Y471-F484 HydrophobicContact CD1-CB 4.07Å; Y471-F484 HydrophobicContact CE1-CB 3.57Å; Y471-F484 HydrophobicContact CE2-CB 4.08Å; Y471-F484 HydrophobicContact CE2-CD2 4.16Å; Y471-F484 HydrophobicContact CE2-CG 4.45Å; Y471-F484 PolarHBondContact N-O 2.94Å; Y471-F484 PolarHBondContact O-N 3.24Å; Y471-F484 VanDerWaalsContact O-O 3.08Å; W482-F484 HydrophobicContact CB-CE2 3.66Å; W482-F484 HydrophobicContact CB-CZ 3.82Å
485	S	88.9	Confident	84.9	Confident	11 Å²	11	73.8 Å²	73.8	8%	0.077	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	145.4	168.3	-62.7	0	0	0	0	109.4	I374 R375 C376 F469 N470	I374-S485 PolarHBondContact O-OG 2.96Å; R375-S485 WeakPolarHBondContact CA-OG 3.37Å; C376-S485 PolarHBondContact N-OG 3.23Å; C376-S485 VanDerWaalsContact N-OG 3.11Å; F469-S485 WeakPolarHBondContact O-CA 3.32Å; N470-S485 PolarHBondContact OD1-OG 3.3Å
486	G	89.7	Confident	85.2	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	171.3	-176.4	0	0	0	0	0	112.8	C468 F469 F488	C468-G486 WeakPolarHBondContact CA-O 3.45Å; F469-G486 PolarHBondContact N-O 2.91Å; F469-G486 PolarHBondContact O-N 2.85Å; F469-G486 VanDerWaalsContact O-N 3.07Å; G486-F488 WeakPolarHBondContact O-CD2 3.37Å
487	C	92.4	Very high	85.9	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	122.9	-177.2	-59.8	0	0	0	0	111.3	C444 Q460 Y461 Y462 R467	C444-C487 WeakPolarHBondContact CA-SG 3.23Å; C444-C487 HydrophobicContact CB-CB 3.51Å; C444-C487 WeakPolarHBondContact CB-SG 3.3Å; C444-C487 WeakPolarHBondContact SG-CA 3.48Å; C444-C487 WeakPolarHBondContact SG-CB 3.32Å; C444-C487 CovalentContact SG-SG 2.03Å; C444-C487 PolarHBondContact SG-SG 3.28Å; Q460-C487 CarbonylContact C-O 3.53Å; Q460-C487 WeakPolarHBondContact CA-O 3.23Å; Y461-C487 PolarHBondContact N-O 2.87Å; Y461-C487 WeakPolarHBondContact O-CB 2.91Å; Y462-C487 HydrophobicContact CD1-CB 4.18Å; Y462-C487 HydrophobicContact CE1-CB 3.97Å; Y462-C487 WeakPolarHBondContact CE1-SG 3.45Å; R467-C487 WeakPolarHBondContact O-CA 3.49Å
488	F	92.6	Very high	87.1	Confident	6 Å²	6	64.9 Å²	64.9	3%	0.026	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.7	-179	-63.7	-89.7	0	0	0	111.5	S466 R467 F469 Y471 G486 V500 Y501 F502 I528	S466-F488 CarbonylContact C-O 3.5Å; S466-F488 VanDerWaalsContact CA-O 3.25Å; S466-F488 WeakPolarHBondContact CA-O 3.37Å; R467-F488 PolarHBondContact N-O 3.04Å; R467-F488 PolarHBondContact O-N 2.99Å; F469-F488 HydrophobicContact CB-CD2 3.78Å; F469-F488 HydrophobicContact CB-CE2 4.18Å; F469-F488 HydrophobicContact CD2-CB 3.76Å; F469-F488 AromaticContact CD2-CD2 3.85Å; F469-F488 HydrophobicContact CD2-CD2 3.85Å; F469-F488 HydrophobicContact CD2-CG 4.23Å; F469-F488 HydrophobicContact CE2-CB 3.98Å; F469-F488 HydrophobicContact CG-CD2 4.13Å; Y471-F488 AromaticContact CD1-CE2 3.56Å; Y471-F488 HydrophobicContact CD1-CE2 3.56Å; Y471-F488 AromaticContact CD1-CZ 3.7Å; Y471-F488 HydrophobicContact CD1-CZ 3.7Å; Y471-F488 HydrophobicContact CD2-CZ 4.19Å; Y471-F488 AromaticContact CE1-CE2 3.87Å; Y471-F488 HydrophobicContact CE1-CE2 3.87Å; Y471-F488 AromaticContact CE1-CZ 3.84Å; Y471-F488 HydrophobicContact CE1-CZ 3.84Å; Y471-F488 HydrophobicContact CE2-CZ 4.31Å; Y471-F488 HydrophobicContact CG-CE2 4.06Å; Y471-F488 AromaticContact CG-CZ 3.88Å; Y471-F488 HydrophobicContact CG-CZ 3.88Å; G486-F488 WeakPolarHBondContact O-CD2 3.37Å; F488-V500 HydrophobicContact CB-CG2 3.68Å; F488-V500 HydrophobicContact CG-CG2 4.36Å; F488-Y501 WeakPolarHBondContact CD1-O 3.34Å; F488-F502 HydrophobicContact CD1-CD2 4.31Å; F488-F502 AromaticContact CE1-CD2 3.74Å; F488-F502 HydrophobicContact CE1-CD2 3.74Å; F488-F502 HydrophobicContact CE1-CE2 4.32Å; F488-F502 HydrophobicContact CZ-CD2 4.11Å; F488-F502 HydrophobicContact CZ-CE2 4.33Å; F488-I528 HydrophobicContact CD1-CD1 4.48Å; F488-I528 HydrophobicContact CD2-CD1 4.09Å; F488-I528 HydrophobicContact CE2-CD1 4.24Å; F488-I528 HydrophobicContact CG-CD1 4.2Å; F488-I528 HydrophobicContact CZ-CD1 4.5Å
489	Q	92.9	Very high	88.5	Confident	64 Å²	64	63.6 Å²	63.6	30%	0.299	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	136	178.5	-162.4	176.6	-25.8	0	0	110.7	Y461 V500 Y501 W506	Y461-Q489 HydrophobicContact CD1-CB 4.17Å; Y461-Q489 HydrophobicContact CD2-CB 4.48Å; Y461-Q489 HydrophobicContact CG-CB 4Å; Q489-V500 WeakPolarHBondContact O-CA 3.31Å; Q489-Y501 PolarHBondContact O-N 2.89Å; Q489-W506 HydrophobicContact CB-CH2 4.17Å; Q489-W506 HydrophobicContact CG-CH2 3.92Å
490	V	93.4	Very high	89.7	Confident	7 Å²	7	56.7 Å²	56.7	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.2	179.6	-178.8	0	0	0	0	110.6	K465 R467 F469 H498 L499 A536	K465-V490 PolarHBondContact O-N 2.91Å; R467-V490 HydrophobicContact CB-CG2 3.81Å; R467-V490 HydrophobicContact CG-CB 4.46Å; R467-V490 HydrophobicContact CG-CG2 3.79Å; F469-V490 HydrophobicContact CE2-CG2 3.62Å; F469-V490 HydrophobicContact CZ-CG2 3.6Å; V490-H498 HydrophobicContact CG1-CB 4.31Å; V490-L499 CarbonylContact C-O 3.52Å; V490-L499 VanDerWaalsContact CA-O 3.24Å; V490-L499 WeakPolarHBondContact CA-O 3.25Å; V490-A536 HydrophobicContact CG1-CB 4.38Å
491	K	94.3	Very high	90.5	Very high	121 Å²	121	50.8 Å²	50.8	53%	0.526	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.7	172.8	-175.5	179.3	178.9	-177.2	0	109.8	H498 L499 W506	K491-H498 WeakPolarHBondContact O-CA 3.42Å; K491-L499 HydrophobicContact CB-CB 4.4Å; K491-L499 HydrophobicContact CB-CD1 4.48Å; K491-L499 PolarHBondContact N-O 3.27Å; K491-L499 PolarHBondContact O-N 3.08Å; K491-W506 HydrophobicContact CB-CE3 4.27Å; K491-W506 HydrophobicContact CB-CH2 3.94Å; K491-W506 HydrophobicContact CB-CZ3 3.67Å
492	C	93.6	Very high	91	Very high	27 Å²	27	47.6 Å²	47.6	18%	0.182	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119.6	174.3	-47.7	0	0	0	0	110.7	E497 C537 I542 R545	C492-E497 WeakPolarHBondContact CA-O 3.35Å; C492-C537 HydrophobicContact CB-CB 3.82Å; C492-C537 WeakPolarHBondContact CB-SG 3.34Å; C492-C537 WeakPolarHBondContact SG-CB 3.26Å; C492-C537 CovalentContact SG-SG 2.03Å; C492-C537 PolarHBondContact SG-SG 3.25Å; C492-I542 HydrophobicContact CB-CD1 3.92Å; C492-I542 HydrophobicContact CB-CG1 4.38Å; C492-R545 PolarHBondContact O-NH1 2.86Å
493	T	93	Very high	91.4	Very high	27 Å²	27	45 Å²	45	17%	0.166	21%	0.208	C	C	.	.			trans	-83.9	168.6	-178.2	79.9	0	0	0	0	111.8	R495 F496 E497 L499	T493-R495 PolarHBondContact O-N 2.94Å; T493-R495 PolarHBondContact OG1-N 3.07Å; T493-F496 PolarHBondContact O-N 2.84Å; T493-E497 HydrophobicContact CG2-CB 4.13Å; T493-E497 PolarHBondContact N-O 3.31Å; T493-E497 WeakPolarHBondContact OG1-CB 3.43Å; T493-E497 PolarHBondContact OG1-N 3.49Å; T493-E497 VanDerWaalsContact OG1-N 3.16Å; T493-E497 PolarHBondContact OG1-OE2 2.79Å; T493-L499 HydrophobicContact CG2-CD1 3.44Å; T493-L499 VanDerWaalsContact CG2-CD1 3.44Å
494	L	91.4	Very high	91.5	Very high	41 Å²	41	51.6 Å²	51.6	22%	0.215	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-11.6	173.6	-61.3	-175.1	0	0	0	113.2	I542 R545 I546	L494-I542 HydrophobicContact CD2-CG2 4.42Å; L494-R545 HydrophobicContact CD2-CB 3.8Å; L494-I546 HydrophobicContact CB-CG1 4.21Å; L494-I546 HydrophobicContact CD2-CG1 3.99Å; L494-I546 HydrophobicContact CG-CG1 4.48Å; L494-I546 WeakPolarHBondContact O-CD1 3.35Å
495	R	91.4	Very high	91.6	Very high	195 Å²	195	52.8 Å²	52.8	74%	0.736	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	9.6	174	-66.9	-180	178.6	176.5	-1.6	112.4	T493 E497	T493-R495 PolarHBondContact O-N 2.94Å; T493-R495 PolarHBondContact OG1-N 3.07Å; R495-E497 VanDerWaalsContact C-N 3.27Å; R495-E497 HydrophobicContact CB-CG 4.21Å; R495-E497 WeakPolarHBondContact CB-OE1 3.11Å; R495-E497 WeakPolarHBondContact CD-OE1 3.26Å; R495-E497 PolarHBondContact O-N 3.47Å
496	F	90.1	Very high	91.8	Very high	52 Å²	52	57.1 Å²	57.1	23%	0.228	24%	0.244	C	C	.	.	S	Bend	trans	59.1	39.7	-174.8	-55.4	-92	0	0	0	112.4	T493 R511 F533 V539 I542 I546	T493-F496 PolarHBondContact O-N 2.84Å; F496-R511 PolarHBondContact O-NH1 3.04Å; F496-R511 VanDerWaalsContact O-NH1 3.12Å; F496-F533 HydrophobicContact CB-CE1 4Å; F496-F533 HydrophobicContact CB-CE2 4.17Å; F496-F533 HydrophobicContact CB-CZ 3.62Å; F496-F533 AromaticContact CD1-CE1 3.96Å; F496-F533 HydrophobicContact CD1-CE1 3.96Å; F496-F533 AromaticContact CD1-CZ 3.85Å; F496-F533 HydrophobicContact CD1-CZ 3.85Å; F496-F533 HydrophobicContact CG-CZ 4.23Å; F496-F533 WeakPolarHBondContact O-CD2 3.17Å; F496-F533 WeakPolarHBondContact O-CE2 3.44Å; F496-V539 HydrophobicContact CE1-CB 4.46Å; F496-V539 HydrophobicContact CE1-CG1 3.91Å; F496-I542 HydrophobicContact CD1-CB 4.22Å; F496-I542 HydrophobicContact CD1-CD1 4.05Å; F496-I542 HydrophobicContact CD1-CG2 3.88Å; F496-I542 HydrophobicContact CE1-CB 3.84Å; F496-I542 HydrophobicContact CE1-CD1 4.48Å; F496-I542 HydrophobicContact CE1-CG2 3.59Å; F496-I542 HydrophobicContact CE2-CG2 4.31Å; F496-I542 HydrophobicContact CG-CG2 4.35Å; F496-I542 HydrophobicContact CZ-CB 4.45Å; F496-I542 HydrophobicContact CZ-CG2 3.83Å; F496-I546 HydrophobicContact CE2-CD1 3.99Å; F496-I546 HydrophobicContact CZ-CD1 4.12Å
497	E	93	Very high	92	Very high	56 Å²	56	59.7 Å²	59.7	26%	0.262	25%	0.253	S	S	.	.			trans	-102.5	154.6	166.7	-53	137.5	173.3	0	0	108.7	C492 T493 R495	C492-E497 WeakPolarHBondContact CA-O 3.35Å; T493-E497 HydrophobicContact CG2-CB 4.13Å; T493-E497 PolarHBondContact N-O 3.31Å; T493-E497 WeakPolarHBondContact OG1-CB 3.43Å; T493-E497 PolarHBondContact OG1-N 3.49Å; T493-E497 VanDerWaalsContact OG1-N 3.16Å; T493-E497 PolarHBondContact OG1-OE2 2.79Å; R495-E497 VanDerWaalsContact C-N 3.27Å; R495-E497 HydrophobicContact CB-CG 4.21Å; R495-E497 WeakPolarHBondContact CB-OE1 3.11Å; R495-E497 WeakPolarHBondContact CD-OE1 3.26Å; R495-E497 PolarHBondContact O-N 3.47Å
498	H	94	Very high	92.1	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.5	173.7	70.7	-67.8	0	0	0	110.5	V490 K491 C509 P510 P531 F533 C537	V490-H498 HydrophobicContact CG1-CB 4.31Å; K491-H498 WeakPolarHBondContact O-CA 3.42Å; H498-C509 VanDerWaalsContact CD2-CB 3.45Å; H498-C509 WeakPolarHBondContact CD2-CB 3.41Å; H498-C509 WeakPolarHBondContact CE1-CB 3.15Å; H498-C509 WeakPolarHBondContact NE2-CB 3.41Å; H498-C509 WeakPolarHBondContact O-CB 3.37Å; H498-C509 PolarHBondContact O-N 3.26Å; H498-P510 PolarHBondContact CE1-O 3.2Å; H498-P531 PolarHBondContact NE2-O 3.09Å; H498-F533 HydrophobicContact CB-CD2 3.95Å; H498-F533 HydrophobicContact CB-CE2 4.32Å; H498-F533 AromaticContact ND1-CD2 3.68Å; H498-C537 WeakPolarHBondContact CB-SG 3.26Å
499	L	95.7	Very high	92.3	Very high	35 Å²	35	65.3 Å²	65.3	18%	0.183	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.3	176.5	-57.4	89.8	0	0	0	109.5	V490 K491 T493 W506 R507	V490-L499 CarbonylContact C-O 3.52Å; V490-L499 VanDerWaalsContact CA-O 3.24Å; V490-L499 WeakPolarHBondContact CA-O 3.25Å; K491-L499 HydrophobicContact CB-CB 4.4Å; K491-L499 HydrophobicContact CB-CD1 4.48Å; K491-L499 PolarHBondContact N-O 3.27Å; K491-L499 PolarHBondContact O-N 3.08Å; T493-L499 HydrophobicContact CG2-CD1 3.44Å; T493-L499 VanDerWaalsContact CG2-CD1 3.44Å; L499-W506 HydrophobicContact CB-CE3 3.72Å; L499-W506 HydrophobicContact CB-CZ3 4.33Å; L499-W506 HydrophobicContact CD2-CB 4.16Å; L499-R507 CarbonylContact C-O 3.56Å; L499-R507 WeakPolarHBondContact CA-O 3.4Å
500	V	94.3	Very high	92.3	Very high	0 Å²	0	65 Å²	65	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.6	172.4	64.5	0	0	0	0	109.7	F469 F488 Q489 F502 R507 I516 I528	F469-V500 HydrophobicContact CD1-CG2 4.29Å; F469-V500 HydrophobicContact CD2-CG2 4.25Å; F469-V500 HydrophobicContact CE1-CB 4.11Å; F469-V500 HydrophobicContact CE1-CG2 3.87Å; F469-V500 HydrophobicContact CE2-CG2 3.81Å; F469-V500 HydrophobicContact CG-CG2 4.5Å; F469-V500 HydrophobicContact CZ-CB 4.01Å; F469-V500 HydrophobicContact CZ-CG2 3.64Å; F488-V500 HydrophobicContact CB-CG2 3.68Å; F488-V500 HydrophobicContact CG-CG2 4.36Å; Q489-V500 WeakPolarHBondContact O-CA 3.31Å; V500-F502 HydrophobicContact CG1-CB 4.38Å; V500-F502 PolarHBondContact O-N 3.46Å; V500-R507 HydrophobicContact CG1-CB 4.41Å; V500-R507 PolarHBondContact N-O 3.19Å; V500-R507 PolarHBondContact O-N 3.37Å; V500-I516 HydrophobicContact CG1-CD1 4.4Å; V500-I528 HydrophobicContact CG1-CD1 4.32Å; V500-I528 HydrophobicContact CG1-CG2 4.49Å; V500-I528 HydrophobicContact CG2-CD1 3.81Å
501	Y	92.4	Very high	92.1	Very high	55 Å²	55	71.8 Å²	71.8	22%	0.216	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	101	172.5	-169.8	-106.3	0	0	0	109.3	Y461 F488 Q489 E505 W506	Y461-Y501 AromaticContact CE2-CD1 3.64Å; Y461-Y501 HydrophobicContact CE2-CD1 3.64Å; Y461-Y501 HydrophobicContact CE2-CE1 4.03Å; Y461-Y501 AromaticContact CZ-CD1 3.7Å; Y461-Y501 AromaticContact CZ-CE1 3.77Å; Y461-Y501 WeakPolarHBondContact OH-CE1 3.37Å; F488-Y501 WeakPolarHBondContact CD1-O 3.34Å; Q489-Y501 PolarHBondContact O-N 2.89Å; Y501-E505 WeakPolarHBondContact CA-O 3.39Å; Y501-W506 AromaticContact CD2-CD1 3.83Å; Y501-W506 AromaticContact CD2-CD2 3.91Å; Y501-W506 HydrophobicContact CD2-CD2 3.91Å; Y501-W506 AromaticContact CD2-CE2 3.7Å; Y501-W506 HydrophobicContact CD2-CG 4.02Å; Y501-W506 HydrophobicContact CD2-CZ2 4.23Å; Y501-W506 AromaticContact CD2-NE1 3.62Å; Y501-W506 HydrophobicContact CG-CZ2 4.44Å
502	F	90.5	Very high	91.8	Very high	2 Å²	2	74.3 Å²	74.3	1%	0.009	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.7	-173.8	179	-117.1	0	0	0	110.5	Y471 F488 V500 R504 E505 D526 I528	Y471-F502 HydrophobicContact CD2-CE2 4.04Å; Y471-F502 HydrophobicContact CG-CE2 4.35Å; F488-F502 HydrophobicContact CD1-CD2 4.31Å; F488-F502 AromaticContact CE1-CD2 3.74Å; F488-F502 HydrophobicContact CE1-CD2 3.74Å; F488-F502 HydrophobicContact CE1-CE2 4.32Å; F488-F502 HydrophobicContact CZ-CD2 4.11Å; F488-F502 HydrophobicContact CZ-CE2 4.33Å; V500-F502 HydrophobicContact CG1-CB 4.38Å; V500-F502 PolarHBondContact O-N 3.46Å; F502-R504 VanDerWaalsContact C-N 3.32Å; F502-R504 PolarHBondContact O-N 3.07Å; F502-E505 PolarHBondContact N-O 3.39Å; F502-E505 PolarHBondContact O-N 2.66Å; F502-E505 VanDerWaalsContact O-O 3.1Å; F502-D526 HydrophobicContact CE1-CB 4.32Å; F502-D526 HydrophobicContact CZ-CB 4.2Å; F502-I528 HydrophobicContact CB-CD1 4.02Å; F502-I528 HydrophobicContact CB-CG2 4.37Å; F502-I528 HydrophobicContact CD1-CB 4.02Å; F502-I528 HydrophobicContact CD1-CG2 3.64Å; F502-I528 HydrophobicContact CD2-CB 4.14Å; F502-I528 HydrophobicContact CD2-CD1 3.68Å; F502-I528 HydrophobicContact CD2-CG1 4.45Å; F502-I528 HydrophobicContact CD2-CG2 4.49Å; F502-I528 HydrophobicContact CE1-CB 4Å; F502-I528 HydrophobicContact CE1-CG2 3.97Å; F502-I528 HydrophobicContact CE2-CB 4.13Å; F502-I528 HydrophobicContact CE2-CD1 4.29Å; F502-I528 HydrophobicContact CG-CB 4.09Å; F502-I528 HydrophobicContact CG-CD1 3.88Å; F502-I528 HydrophobicContact CG-CG2 3.92Å; F502-I528 HydrophobicContact CZ-CB 4.05Å
503	R	86.1	Confident	91.6	Very high	92 Å²	92	74 Å²	74	35%	0.347	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	48.8	-176.5	-65.6	-64.9	-163.6	-156.6	-2.3	113	D458 E505 D526	D458-R503 IonicContact OD1-NH1 3.61Å; R503-E505 PolarHBondContact O-N 2.89Å; R503-D526 IonicContact CZ-OD2 2.76Å; R503-D526 IonicContact NE-OD2 3.46Å; R503-D526 PolarHBondContact NE-OD2 3.25Å; R503-D526 IonicContact NH2-OD1 3.91Å; R503-D526 IonicContact NH2-OD2 3.62Å; R503-D526 PolarHBondContact NH2-OD2 3.27Å
504	R	84.9	Confident	91.6	Very high	208 Å²	208	74.1 Å²	74.1	79%	0.785	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	12.1	177.5	-54.5	179.9	178.8	178.6	-0.5	115.8	F502	F502-R504 VanDerWaalsContact C-N 3.32Å; F502-R504 PolarHBondContact O-N 3.07Å
505	E	89.7	Confident	91.7	Very high	108 Å²	108	76.8 Å²	76.8	51%	0.505	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.9	177	-68.1	-175.2	163	0	0	110.9	Y501 F502 R503 R507	Y501-E505 WeakPolarHBondContact CA-O 3.39Å; F502-E505 PolarHBondContact N-O 3.39Å; F502-E505 PolarHBondContact O-N 2.66Å; F502-E505 VanDerWaalsContact O-O 3.1Å; R503-E505 PolarHBondContact O-N 2.89Å; E505-R507 IonicContact OE2-CZ 2.82Å; E505-R507 IonicContact OE2-NH1 2.92Å; E505-R507 IonicContact OE2-NH2 3.27Å; E505-R507 PolarHBondContact OE2-NH2 3.11Å
506	W	92.9	Very high	91.8	Very high	103 Å²	103	68.7 Å²	68.7	39%	0.39	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	121.8	167.7	-74.1	99.9	0	0	0	109.1	Q489 K491 L499 Y501	Q489-W506 HydrophobicContact CB-CH2 4.17Å; Q489-W506 HydrophobicContact CG-CH2 3.92Å; K491-W506 HydrophobicContact CB-CE3 4.27Å; K491-W506 HydrophobicContact CB-CH2 3.94Å; K491-W506 HydrophobicContact CB-CZ3 3.67Å; L499-W506 HydrophobicContact CB-CE3 3.72Å; L499-W506 HydrophobicContact CB-CZ3 4.33Å; L499-W506 HydrophobicContact CD2-CB 4.16Å; Y501-W506 AromaticContact CD2-CD1 3.83Å; Y501-W506 AromaticContact CD2-CD2 3.91Å; Y501-W506 HydrophobicContact CD2-CD2 3.91Å; Y501-W506 AromaticContact CD2-CE2 3.7Å; Y501-W506 HydrophobicContact CD2-CG 4.02Å; Y501-W506 HydrophobicContact CD2-CZ2 4.23Å; Y501-W506 AromaticContact CD2-NE1 3.62Å; Y501-W506 HydrophobicContact CG-CZ2 4.44Å
507	R	93.4	Very high	91.9	Very high	53 Å²	53	72.4 Å²	72.4	20%	0.2	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.2	176.3	-57.2	-168.2	-176.5	-86.8	-12.4	109.7	L499 V500 E505 I516 T518	L499-R507 CarbonylContact C-O 3.56Å; L499-R507 WeakPolarHBondContact CA-O 3.4Å; V500-R507 HydrophobicContact CG1-CB 4.41Å; V500-R507 PolarHBondContact N-O 3.19Å; V500-R507 PolarHBondContact O-N 3.37Å; E505-R507 IonicContact OE2-CZ 2.82Å; E505-R507 IonicContact OE2-NH1 2.92Å; E505-R507 IonicContact OE2-NH2 3.27Å; E505-R507 PolarHBondContact OE2-NH2 3.11Å; R507-I516 HydrophobicContact CB-CD1 3.91Å; R507-T518 VanDerWaalsContact CZ-OG1 3.23Å; R507-T518 PolarHBondContact NE-OG1 3.41Å; R507-T518 VanDerWaalsContact NH2-CG2 3.28Å
508	E	95.3	Very high	91.5	Very high	121 Å²	121	70.5 Å²	70.5	57%	0.565	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	127.6	175.6	-172.1	174.9	164.9	0	0	110.1	I516	E508-I516 VanDerWaalsContact O-CD1 3.27Å; E508-I516 WeakPolarHBondContact O-CD1 3.22Å
509	C	95.2	Very high	90.6	Very high	4 Å²	4	74.4 Å²	74.4	3%	0.027	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-86	139.7	177.2	-79.6	0	0	0	0	111.3	H498 R511 C530	H498-C509 VanDerWaalsContact CD2-CB 3.45Å; H498-C509 WeakPolarHBondContact CD2-CB 3.41Å; H498-C509 WeakPolarHBondContact CE1-CB 3.15Å; H498-C509 WeakPolarHBondContact NE2-CB 3.41Å; H498-C509 WeakPolarHBondContact O-CB 3.37Å; H498-C509 PolarHBondContact O-N 3.26Å; C509-R511 PolarHBondContact O-N 2.94Å; C509-C530 VanDerWaalsContact CA-SG 3.56Å; C509-C530 HydrophobicContact CB-CB 3.44Å; C509-C530 VanDerWaalsContact CB-CB 3.44Å; C509-C530 WeakPolarHBondContact CB-SG 3.12Å; C509-C530 WeakPolarHBondContact SG-CB 3.23Å; C509-C530 CovalentContact SG-SG 2.04Å; C509-C530 PolarHBondContact SG-SG 3.4Å
510	P	94.7	Very high	89.4	Confident	57 Å²	57	77 Å²	77	37%	0.37	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-55.8	137.8	172	-22	32.2	0	0	0	111.1	H498 Q512 G513	H498-P510 PolarHBondContact CE1-O 3.2Å; P510-Q512 VanDerWaalsContact C-N 3.3Å; P510-Q512 PolarHBondContact O-N 3.5Å; P510-G513 PolarHBondContact O-N 2.96Å
511	R	88.9	Confident	88.2	Confident	149 Å²	149	83 Å²	83	56%	0.562	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-38.1	-173.1	-173.7	179.7	177.1	97.5	-6.5	113.8	F496 C509 G513 F533	F496-R511 PolarHBondContact O-NH1 3.04Å; F496-R511 VanDerWaalsContact O-NH1 3.12Å; C509-R511 PolarHBondContact O-N 2.94Å; R511-G513 VanDerWaalsContact C-N 3.28Å; R511-F533 HydrophobicContact CG-CB 4.24Å; R511-F533 WeakPolarHBondContact O-CB 3.14Å; R511-F533 PolarHBondContact O-N 3.13Å
512	Q	87.9	Confident	87.4	Confident	174 Å²	174	88 Å²	88	81%	0.813	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	9.7	-179.7	-63.6	174.7	7.4	0	0	112.8	P510 D532	P510-Q512 VanDerWaalsContact C-N 3.3Å; P510-Q512 PolarHBondContact O-N 3.5Å; Q512-D532 WeakPolarHBondContact CA-OD2 3.45Å
513	G	89.6	Confident	87	Confident	21 Å²	21	91.2 Å²	91.2	22%	0.216	45%	0.448	C	S	.	.			trans	79.7	170.1	-168	0	0	0	0	0	112.9	P510 R511 C530 P531	P510-G513 PolarHBondContact O-N 2.96Å; R511-G513 VanDerWaalsContact C-N 3.28Å; G513-C530 CarbonylContact C-O 3.33Å; G513-C530 WeakPolarHBondContact CA-O 3.11Å; G513-P531 WeakPolarHBondContact CA-O 3.46Å
514	G	92.4	Very high	87	Confident	30 Å²	30	89.6 Å²	89.6	31%	0.309	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	145.4	177	-179.5	0	0	0	0	0	113.4	C530	G514-C530 PolarHBondContact N-O 3.44Å; G514-C530 WeakPolarHBondContact O-CB 3.33Å; G514-C530 PolarHBondContact O-N 2.83Å
515	I	93.2	Very high	87.2	Confident	97 Å²	97	82.3 Å²	82.3	50%	0.497	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.1	-176	-60.4	175.2	0	0	0	110.3	K517 W527 I528 E529	I515-K517 HydrophobicContact CG2-CG 4.12Å; I515-W527 HydrophobicContact CG2-CB 3.74Å; I515-W527 HydrophobicContact CG2-CE3 4.39Å; I515-W527 HydrophobicContact CG2-CG 4.45Å; I515-I528 WeakPolarHBondContact CA-O 3.35Å; I515-E529 HydrophobicContact CG1-CB 4.49Å; I515-E529 HydrophobicContact CG1-CG 4.44Å
516	I	93.4	Very high	87.2	Confident	25 Å²	25	77.1 Å²	77.1	13%	0.128	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130	164.7	-55.6	176.1	0	0	0	107.8	V500 R507 E508 W527 I528 C530	V500-I516 HydrophobicContact CG1-CD1 4.4Å; R507-I516 HydrophobicContact CB-CD1 3.91Å; E508-I516 VanDerWaalsContact O-CD1 3.27Å; E508-I516 WeakPolarHBondContact O-CD1 3.22Å; I516-W527 CarbonylContact O-C 3.5Å; I516-W527 WeakPolarHBondContact O-CA 2.85Å; I516-I528 HydrophobicContact CB-CG2 3.92Å; I516-I528 HydrophobicContact CD1-CG2 4.37Å; I516-I528 HydrophobicContact CG1-CG2 4.48Å; I516-I528 PolarHBondContact N-O 2.92Å; I516-I528 PolarHBondContact O-N 3.44Å; I516-C530 WeakPolarHBondContact CD1-SG 3.41Å
517	K	91.5	Very high	87.2	Confident	130 Å²	130	73.7 Å²	73.7	57%	0.565	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	137.6	172.9	-61.2	-178.5	-177.3	-178.6	0	110.1	I515 Y525 D526 W527	I515-K517 HydrophobicContact CG2-CG 4.12Å; K517-Y525 HydrophobicContact CB-CD2 4.1Å; K517-Y525 HydrophobicContact CD-CD2 3.96Å; K517-Y525 HydrophobicContact CD-CE2 3.78Å; K517-Y525 HydrophobicContact CG-CD2 3.93Å; K517-Y525 HydrophobicContact CG-CE2 3.99Å; K517-D526 CarbonylContact C-O 3.51Å; K517-D526 WeakPolarHBondContact CA-O 3.16Å; K517-W527 HydrophobicContact CG-CB 4.34Å
518	T	85.8	Confident	87.2	Confident	16 Å²	16	71.1 Å²	71.1	10%	0.098	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	112	175.5	-51.4	0	0	0	0	108.1	R507 L520 Y525 D526	R507-T518 VanDerWaalsContact CZ-OG1 3.23Å; R507-T518 PolarHBondContact NE-OG1 3.41Å; R507-T518 VanDerWaalsContact NH2-CG2 3.28Å; T518-L520 PolarHBondContact O-N 2.88Å; T518-Y525 WeakPolarHBondContact O-CA 3.46Å; T518-D526 PolarHBondContact N-O 3.14Å; T518-D526 PolarHBondContact O-N 2.93Å
519	A	75.6	Confident	87.1	Confident	82 Å²	82	69.4 Å²	69.4	68%	0.678	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.6	173.7	0	0	0	0	0	109.4
520	L	69.1	Low	87	Confident	90 Å²	90	69.4 Å²	69.4	47%	0.471	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-37.4	172.4	-74	169.7	0	0	0	110.6	T518 R524 D526	T518-L520 PolarHBondContact O-N 2.88Å; L520-R524 PolarHBondContact N-O 3.31Å; L520-D526 HydrophobicContact CD1-CB 4.36Å; L520-D526 VanDerWaalsContact CD1-CG 3.43Å; L520-D526 WeakPolarHBondContact CD1-OD2 3.45Å
521	E	70.4	Confident	86.6	Confident	125 Å²	125	68.2 Å²	68.2	58%	0.584	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.9	166.4	179.2	-66.5	174.8	-172.2	0	0	109.2	T523 R524	E521-T523 PolarHBondContact O-N 2.91Å; E521-R524 PolarHBondContact N-O 3.49Å; E521-R524 PolarHBondContact O-N 3.41Å
522	N	74.9	Confident	86.5	Confident	160 Å²	160	63.6 Å²	63.6	86%	0.856	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-14	176.3	-78.4	-8.6	0	0	0	114	M476	M476-N522 WeakPolarHBondContact CE-O 3.36Å
523	T	81.8	Confident	86.4	Confident	71 Å²	71	55.6 Å²	55.6	44%	0.436	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-1.5	-175.7	58.8	0	0	0	0	113.4	M476 E521	M476-T523 PolarHBondContact N-O 3.11Å; E521-T523 PolarHBondContact O-N 2.91Å
524	R	86.4	Confident	86	Confident	57 Å²	57	63.6 Å²	63.6	22%	0.215	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	133.4	-174.5	178.4	-170.7	164.3	170.8	6.3	112.1	T473 T474 Y475 L520 E521 D526	T473-R524 HydrophobicContact CG2-CG 3.66Å; T473-R524 PolarHBondContact OG1-NH2 3.45Å; T474-R524 WeakPolarHBondContact O-CA 3.45Å; Y475-R524 HydrophobicContact CD1-CB 4.27Å; Y475-R524 HydrophobicContact CD1-CG 4.29Å; Y475-R524 HydrophobicContact CE1-CB 4.46Å; Y475-R524 HydrophobicContact CE1-CG 4.18Å; L520-R524 PolarHBondContact N-O 3.31Å; E521-R524 PolarHBondContact N-O 3.49Å; E521-R524 PolarHBondContact O-N 3.41Å; R524-D526 IonicContact CZ-OD1 3.11Å; R524-D526 IonicContact NE-OD1 3.87Å; R524-D526 PolarHBondContact NE-OD1 2.94Å; R524-D526 IonicContact NH2-OD1 3.23Å; R524-D526 PolarHBondContact NH2-OD1 3.29Å; R524-D526 VanDerWaalsContact NH2-OD1 3.11Å; R524-D526 IonicContact NH2-OD2 2.72Å
525	Y	89.3	Confident	85.3	Confident	55 Å²	55	67.1 Å²	67.1	22%	0.216	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.6	164.7	69.5	-92.8	0	0	0	111.3	T474 M476 K517 T518 W527	T474-Y525 HydrophobicContact CG2-CE1 3.76Å; T474-Y525 PolarHBondContact N-O 3.28Å; T474-Y525 PolarHBondContact O-N 3.12Å; T474-Y525 PolarHBondContact OG1-OH 3.24Å; M476-Y525 HydrophobicContact CE-CD1 4.45Å; K517-Y525 HydrophobicContact CB-CD2 4.1Å; K517-Y525 HydrophobicContact CD-CD2 3.96Å; K517-Y525 HydrophobicContact CD-CE2 3.78Å; K517-Y525 HydrophobicContact CG-CD2 3.93Å; K517-Y525 HydrophobicContact CG-CE2 3.99Å; T518-Y525 WeakPolarHBondContact O-CA 3.46Å; Y525-W527 HydrophobicContact CD2-CB 4.24Å; Y525-W527 HydrophobicContact CE2-CB 4.15Å; Y525-W527 AromaticContact CE2-CD1 3.72Å; Y525-W527 HydrophobicContact CE2-CG 4.24Å
526	D	90.1	Very high	84.8	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	152.8	166.5	-73.8	-4.2	0	0	0	109.4	G472 T473 F502 R503 K517 T518 L520 R524	G472-D526 CarbonylContact O-C 3.5Å; G472-D526 VanDerWaalsContact O-CA 3.3Å; G472-D526 WeakPolarHBondContact O-CA 3.29Å; T473-D526 WeakPolarHBondContact CB-OD1 3.4Å; T473-D526 WeakPolarHBondContact CG2-OD1 3.37Å; T473-D526 PolarHBondContact OG1-OD1 2.92Å; F502-D526 HydrophobicContact CE1-CB 4.32Å; F502-D526 HydrophobicContact CZ-CB 4.2Å; R503-D526 IonicContact CZ-OD2 2.76Å; R503-D526 IonicContact NE-OD2 3.46Å; R503-D526 PolarHBondContact NE-OD2 3.25Å; R503-D526 IonicContact NH2-OD1 3.91Å; R503-D526 IonicContact NH2-OD2 3.62Å; R503-D526 PolarHBondContact NH2-OD2 3.27Å; K517-D526 CarbonylContact C-O 3.51Å; K517-D526 WeakPolarHBondContact CA-O 3.16Å; T518-D526 PolarHBondContact N-O 3.14Å; T518-D526 PolarHBondContact O-N 2.93Å; L520-D526 HydrophobicContact CD1-CB 4.36Å; L520-D526 VanDerWaalsContact CD1-CG 3.43Å; L520-D526 WeakPolarHBondContact CD1-OD2 3.45Å; R524-D526 IonicContact CZ-OD1 3.11Å; R524-D526 IonicContact NE-OD1 3.87Å; R524-D526 PolarHBondContact NE-OD1 2.94Å; R524-D526 IonicContact NH2-OD1 3.23Å; R524-D526 PolarHBondContact NH2-OD1 3.29Å; R524-D526 VanDerWaalsContact NH2-OD1 3.11Å; R524-D526 IonicContact NH2-OD2 2.72Å
527	W	92.1	Very high	84.5	Confident	30 Å²	30	61.7 Å²	61.7	11%	0.114	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.2	-179.7	60.3	-92.8	0	0	0	111.4	N470 Y471 G472 T474 I515 I516 K517 Y525 E529	N470-W527 HydrophobicContact CB-CZ3 4.37Å; Y471-W527 CarbonylContact C-O 3.5Å; Y471-W527 VanDerWaalsContact CA-O 3.26Å; Y471-W527 WeakPolarHBondContact CA-O 3.49Å; Y471-W527 WeakPolarHBondContact CB-O 3.41Å; G472-W527 PolarHBondContact N-O 3.03Å; G472-W527 PolarHBondContact O-N 3.34Å; T474-W527 PolarHBondContact OG1-NE1 3.26Å; I515-W527 HydrophobicContact CG2-CB 3.74Å; I515-W527 HydrophobicContact CG2-CE3 4.39Å; I515-W527 HydrophobicContact CG2-CG 4.45Å; I516-W527 CarbonylContact O-C 3.5Å; I516-W527 WeakPolarHBondContact O-CA 2.85Å; K517-W527 HydrophobicContact CG-CB 4.34Å; Y525-W527 HydrophobicContact CD2-CB 4.24Å; Y525-W527 HydrophobicContact CE2-CB 4.15Å; Y525-W527 AromaticContact CE2-CD1 3.72Å; Y525-W527 HydrophobicContact CE2-CG 4.24Å; W527-E529 HydrophobicContact CZ3-CB 4.3Å
528	I	93	Very high	84.1	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	133.9	172.6	-173.3	165.1	0	0	0	108.9	F469 F488 V500 F502 I515 I516	F469-I528 HydrophobicContact CB-CD1 3.78Å; F469-I528 HydrophobicContact CB-CG1 3.8Å; F469-I528 HydrophobicContact CD1-CD1 3.86Å; F469-I528 HydrophobicContact CD1-CG1 3.88Å; F469-I528 HydrophobicContact CG-CD1 3.86Å; F469-I528 HydrophobicContact CG-CG1 4.13Å; F488-I528 HydrophobicContact CD1-CD1 4.48Å; F488-I528 HydrophobicContact CD2-CD1 4.09Å; F488-I528 HydrophobicContact CE2-CD1 4.24Å; F488-I528 HydrophobicContact CG-CD1 4.2Å; F488-I528 HydrophobicContact CZ-CD1 4.5Å; V500-I528 HydrophobicContact CG1-CD1 4.32Å; V500-I528 HydrophobicContact CG1-CG2 4.49Å; V500-I528 HydrophobicContact CG2-CD1 3.81Å; F502-I528 HydrophobicContact CB-CD1 4.02Å; F502-I528 HydrophobicContact CB-CG2 4.37Å; F502-I528 HydrophobicContact CD1-CB 4.02Å; F502-I528 HydrophobicContact CD1-CG2 3.64Å; F502-I528 HydrophobicContact CD2-CB 4.14Å; F502-I528 HydrophobicContact CD2-CD1 3.68Å; F502-I528 HydrophobicContact CD2-CG1 4.45Å; F502-I528 HydrophobicContact CD2-CG2 4.49Å; F502-I528 HydrophobicContact CE1-CB 4Å; F502-I528 HydrophobicContact CE1-CG2 3.97Å; F502-I528 HydrophobicContact CE2-CB 4.13Å; F502-I528 HydrophobicContact CE2-CD1 4.29Å; F502-I528 HydrophobicContact CG-CB 4.09Å; F502-I528 HydrophobicContact CG-CD1 3.88Å; F502-I528 HydrophobicContact CG-CG2 3.92Å; F502-I528 HydrophobicContact CZ-CB 4.05Å; I515-I528 WeakPolarHBondContact CA-O 3.35Å; I516-I528 HydrophobicContact CB-CG2 3.92Å; I516-I528 HydrophobicContact CD1-CG2 4.37Å; I516-I528 HydrophobicContact CG1-CG2 4.48Å; I516-I528 PolarHBondContact N-O 2.92Å; I516-I528 PolarHBondContact O-N 3.44Å
529	E	93.6	Very high	84	Confident	85 Å²	85	60 Å²	60	40%	0.397	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	105.2	178.6	-173.6	-177.7	-171.1	0	0	109.4	F469 N470 I515 W527	F469-E529 VanDerWaalsContact CD1-O 3.3Å; F469-E529 WeakPolarHBondContact CD1-O 3.39Å; N470-E529 HydrophobicContact CB-CB 4.15Å; N470-E529 WeakPolarHBondContact CB-OE2 3.3Å; N470-E529 PolarHBondContact ND2-OE2 2.88Å; N470-E529 PolarHBondContact O-N 2.8Å; I515-E529 HydrophobicContact CG1-CB 4.49Å; I515-E529 HydrophobicContact CG1-CG 4.44Å; W527-E529 HydrophobicContact CZ3-CB 4.3Å
530	C	92.5	Very high	84.2	Confident	4 Å²	4	61.7 Å²	61.7	3%	0.027	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.1	175.4	-68	0	0	0	0	111.1	C509 G513 G514 I516	C509-C530 VanDerWaalsContact CA-SG 3.56Å; C509-C530 HydrophobicContact CB-CB 3.44Å; C509-C530 VanDerWaalsContact CB-CB 3.44Å; C509-C530 WeakPolarHBondContact CB-SG 3.12Å; C509-C530 WeakPolarHBondContact SG-CB 3.23Å; C509-C530 CovalentContact SG-SG 2.04Å; C509-C530 PolarHBondContact SG-SG 3.4Å; G513-C530 CarbonylContact C-O 3.33Å; G513-C530 WeakPolarHBondContact CA-O 3.11Å; G514-C530 PolarHBondContact N-O 3.44Å; G514-C530 WeakPolarHBondContact O-CB 3.33Å; G514-C530 PolarHBondContact O-N 2.83Å; I516-C530 WeakPolarHBondContact CD1-SG 3.41Å
531	P	87.2	Confident	84.9	Confident	31 Å²	31	62.8 Å²	62.8	20%	0.201	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-73.9	172.5	172	35.4	-37.5	0	0	0	111.3	F469 H498 G513 D535 A536	F469-P531 HydrophobicContact CE1-CG 4.29Å; H498-P531 PolarHBondContact NE2-O 3.09Å; G513-P531 WeakPolarHBondContact CA-O 3.46Å; P531-D535 HydrophobicContact CB-CB 4.12Å; P531-A536 HydrophobicContact CG-CB 4.02Å
532	D	85.9	Confident	85.7	Confident	53 Å²	53	56.9 Å²	56.9	28%	0.283	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-58.9	145.8	167.6	-176	-84	0	0	0	110	Q512 R534 D535 A536	Q512-D532 WeakPolarHBondContact CA-OD2 3.45Å; D532-R534 PolarHBondContact O-N 3.37Å; D532-R534 VanDerWaalsContact O-N 3.11Å; D532-R534 VanDerWaalsContact OD1-CB 3.3Å; D532-R534 WeakPolarHBondContact OD1-CB 3.3Å; D532-R534 WeakPolarHBondContact OD1-CG 3.43Å; D532-R534 PolarHBondContact OD1-N 2.74Å; D532-D535 WeakPolarHBondContact O-CB 3.36Å; D532-D535 PolarHBondContact O-N 3.31Å; D532-A536 PolarHBondContact O-N 3.27Å
533	F	87.1	Confident	86.4	Confident	5 Å²	5	51.9 Å²	51.9	2%	0.022	27%	0.266	C	S	.	.	H	α-helix	trans	-51.1	-38.3	179	170.7	-93.2	0	0	0	113	F496 H498 R511 D535 A536 C537 V539 I542	F496-F533 HydrophobicContact CB-CE1 4Å; F496-F533 HydrophobicContact CB-CE2 4.17Å; F496-F533 HydrophobicContact CB-CZ 3.62Å; F496-F533 AromaticContact CD1-CE1 3.96Å; F496-F533 HydrophobicContact CD1-CE1 3.96Å; F496-F533 AromaticContact CD1-CZ 3.85Å; F496-F533 HydrophobicContact CD1-CZ 3.85Å; F496-F533 HydrophobicContact CG-CZ 4.23Å; F496-F533 WeakPolarHBondContact O-CD2 3.17Å; F496-F533 WeakPolarHBondContact O-CE2 3.44Å; H498-F533 HydrophobicContact CB-CD2 3.95Å; H498-F533 HydrophobicContact CB-CE2 4.32Å; H498-F533 AromaticContact ND1-CD2 3.68Å; R511-F533 HydrophobicContact CG-CB 4.24Å; R511-F533 WeakPolarHBondContact O-CB 3.14Å; R511-F533 PolarHBondContact O-N 3.13Å; F533-D535 VanDerWaalsContact C-N 3.26Å; F533-D535 PolarHBondContact O-N 2.87Å; F533-A536 PolarHBondContact O-N 2.87Å; F533-C537 HydrophobicContact CD2-CB 4.03Å; F533-C537 HydrophobicContact CE1-CB 4.19Å; F533-C537 HydrophobicContact CE2-CB 3.56Å; F533-C537 HydrophobicContact CZ-CB 3.66Å; F533-C537 WeakPolarHBondContact O-CB 3.44Å; F533-C537 PolarHBondContact O-N 3.43Å; F533-V539 HydrophobicContact CE1-CG2 4Å; F533-I542 HydrophobicContact CE1-CD1 4.43Å; F533-I542 HydrophobicContact CE2-CD1 4.21Å; F533-I542 HydrophobicContact CZ-CD1 3.49Å; F533-I542 VanDerWaalsContact CZ-CD1 3.49Å
534	R	81.8	Confident	86.7	Confident	190 Å²	190	50 Å²	50	72%	0.717	26%	0.262	S	S	*	.	H	α-helix	trans	-71	-21.2	-178.5	-63.4	-177.4	175.7	-150.4	0.6	113.1	D532	D532-R534 PolarHBondContact O-N 3.37Å; D532-R534 VanDerWaalsContact O-N 3.11Å; D532-R534 VanDerWaalsContact OD1-CB 3.3Å; D532-R534 WeakPolarHBondContact OD1-CB 3.3Å; D532-R534 WeakPolarHBondContact OD1-CG 3.43Å; D532-R534 PolarHBondContact OD1-N 2.74Å
535	D	76.2	Confident	86.9	Confident	103 Å²	103	51.9 Å²	51.9	55%	0.551	27%	0.269	S	S	*	.	H	α-helix	trans	-83.3	-30.7	176.3	-63.1	-26.1	0	0	0	111.3	P531 D532 F533	P531-D535 HydrophobicContact CB-CB 4.12Å; D532-D535 WeakPolarHBondContact O-CB 3.36Å; D532-D535 PolarHBondContact O-N 3.31Å; F533-D535 VanDerWaalsContact C-N 3.26Å; F533-D535 PolarHBondContact O-N 2.87Å
536	A	83	Confident	86.9	Confident	2 Å²	2	51.5 Å²	51.5	2%	0.017	27%	0.27	C	S	.	.	H	α-helix	trans	-87.5	-37.6	176.9	0	0	0	0	0	113.6	R467 V490 P531 D532 F533	R467-A536 PolarHBondContact NE-O 3.04Å; R467-A536 PolarHBondContact NH2-O 2.99Å; V490-A536 HydrophobicContact CG1-CB 4.38Å; P531-A536 HydrophobicContact CG-CB 4.02Å; D532-A536 PolarHBondContact O-N 3.27Å; F533-A536 PolarHBondContact O-N 2.87Å
537	C	86.8	Confident	86.8	Confident	6 Å²	6	60.1 Å²	60.1	4%	0.041	30%	0.303	C	S	.	.	S	Bend	trans	-128.4	138.9	-165.5	-68	0	0	0	0	113.6	C492 H498 F533 V539 I542	C492-C537 HydrophobicContact CB-CB 3.82Å; C492-C537 WeakPolarHBondContact CB-SG 3.34Å; C492-C537 WeakPolarHBondContact SG-CB 3.26Å; C492-C537 CovalentContact SG-SG 2.03Å; C492-C537 PolarHBondContact SG-SG 3.25Å; H498-C537 WeakPolarHBondContact CB-SG 3.26Å; F533-C537 HydrophobicContact CD2-CB 4.03Å; F533-C537 HydrophobicContact CE1-CB 4.19Å; F533-C537 HydrophobicContact CE2-CB 3.56Å; F533-C537 HydrophobicContact CZ-CB 3.66Å; F533-C537 WeakPolarHBondContact O-CB 3.44Å; F533-C537 PolarHBondContact O-N 3.43Å; C537-V539 PolarHBondContact O-N 2.78Å; C537-I542 HydrophobicContact CB-CD1 4.25Å
538	S	83.7	Confident	86.7	Confident	52 Å²	52	66.1 Å²	66.1	36%	0.364	33%	0.329	S	S	.	.			trans	-84.5	112.2	176.7	174.7	0	0	0	0	111.9	T540 E541 I542	S538-T540 PolarHBondContact O-N 2.88Å; S538-E541 PolarHBondContact O-N 3.15Å; S538-E541 PolarHBondContact OG-N 3.14Å; S538-E541 VanDerWaalsContact OG-N 3.13Å; S538-I542 WeakPolarHBondContact O-CG1 3.39Å; S538-I542 PolarHBondContact O-N 2.69Å; S538-I542 VanDerWaalsContact O-N 3.09Å
539	V	82.8	Confident	86.5	Confident	59 Å²	59	73.2 Å²	73.2	36%	0.358	36%	0.356	S	S	.	.	H	α-helix	trans	-55.9	-40	173.3	175.6	0	0	0	0	111.1	F496 F533 C537 I542 S543	F496-V539 HydrophobicContact CE1-CB 4.46Å; F496-V539 HydrophobicContact CE1-CG1 3.91Å; F533-V539 HydrophobicContact CE1-CG2 4Å; C537-V539 PolarHBondContact O-N 2.78Å; V539-I542 PolarHBondContact O-N 3.21Å; V539-S543 WeakPolarHBondContact O-CB 3.48Å; V539-S543 PolarHBondContact O-N 3.45Å; V539-S543 PolarHBondContact O-OG 2.95Å
540	T	81.4	Confident	86.2	Confident	117 Å²	117	75.4 Å²	75.4	72%	0.718	36%	0.364	S	S	*	.	H	α-helix	trans	-65.6	-43.9	179	-50.2	0	0	0	0	111.7	S538 I542 S543 G544	S538-T540 PolarHBondContact O-N 2.88Å; T540-I542 PolarHBondContact O-N 2.65Å; T540-S543 PolarHBondContact O-N 3.34Å; T540-G544 PolarHBondContact O-N 3.29Å
541	E	83.8	Confident	85.7	Confident	113 Å²	113	80.1 Å²	80.1	53%	0.528	39%	0.389	S	S	.	.	H	α-helix	trans	-61.4	-45.4	177.4	-173.1	-167.8	150.4	0	0	111.1	S538 G544 R545	S538-E541 PolarHBondContact O-N 3.15Å; S538-E541 PolarHBondContact OG-N 3.14Å; S538-E541 VanDerWaalsContact OG-N 3.13Å; E541-G544 PolarHBondContact O-N 2.95Å; E541-R545 WeakPolarHBondContact O-CG 2.97Å; E541-R545 PolarHBondContact O-N 3.24Å
542	I	86.8	Confident	85.4	Confident	1 Å²	1	87.5 Å²	87.5	1%	0.005	42%	0.418	C	S	.	.	H	α-helix	trans	-65.8	-46.4	-179	-65.7	164.5	0	0	0	110.6	C492 L494 F496 F533 C537 S538 V539 T540 G544 R545 I546	C492-I542 HydrophobicContact CB-CD1 3.92Å; C492-I542 HydrophobicContact CB-CG1 4.38Å; L494-I542 HydrophobicContact CD2-CG2 4.42Å; F496-I542 HydrophobicContact CD1-CB 4.22Å; F496-I542 HydrophobicContact CD1-CD1 4.05Å; F496-I542 HydrophobicContact CD1-CG2 3.88Å; F496-I542 HydrophobicContact CE1-CB 3.84Å; F496-I542 HydrophobicContact CE1-CD1 4.48Å; F496-I542 HydrophobicContact CE1-CG2 3.59Å; F496-I542 HydrophobicContact CE2-CG2 4.31Å; F496-I542 HydrophobicContact CG-CG2 4.35Å; F496-I542 HydrophobicContact CZ-CB 4.45Å; F496-I542 HydrophobicContact CZ-CG2 3.83Å; F533-I542 HydrophobicContact CE1-CD1 4.43Å; F533-I542 HydrophobicContact CE2-CD1 4.21Å; F533-I542 HydrophobicContact CZ-CD1 3.49Å; F533-I542 VanDerWaalsContact CZ-CD1 3.49Å; C537-I542 HydrophobicContact CB-CD1 4.25Å; S538-I542 WeakPolarHBondContact O-CG1 3.39Å; S538-I542 PolarHBondContact O-N 2.69Å; S538-I542 VanDerWaalsContact O-N 3.09Å; V539-I542 PolarHBondContact O-N 3.21Å; T540-I542 PolarHBondContact O-N 2.65Å; I542-G544 VanDerWaalsContact C-N 3.27Å; I542-G544 PolarHBondContact O-N 3.12Å; I542-R545 WeakPolarHBondContact O-CA 3.14Å; I542-R545 WeakPolarHBondContact O-CB 3.38Å; I542-R545 PolarHBondContact O-N 3.45Å; I542-I546 HydrophobicContact CG2-CD1 4.15Å; I542-I546 WeakPolarHBondContact O-CG1 3.41Å; I542-I546 PolarHBondContact O-N 3.5Å
543	S	88.3	Confident	84.8	Confident	55 Å²	55	92.4 Å²	92.4	39%	0.385	44%	0.439	S	S	.	.	H	α-helix	trans	-59.2	-40.5	176.5	-57.4	0	0	0	0	111.6	V539 T540 R545 I546 R547	V539-S543 WeakPolarHBondContact O-CB 3.48Å; V539-S543 PolarHBondContact O-N 3.45Å; V539-S543 PolarHBondContact O-OG 2.95Å; T540-S543 PolarHBondContact O-N 3.34Å; S543-R545 PolarHBondContact O-N 3.41Å; S543-I546 PolarHBondContact O-N 3.1Å; S543-R547 PolarHBondContact O-N 3.36Å
544	G	88.6	Confident	83.4	Confident	33 Å²	33	101.1 Å²	101.1	34%	0.34	49%	0.486	S	S	.	.	H	α-helix	trans	-62.5	-39.3	173.2	0	0	0	0	0	113.3	T540 E541 I542 R547 K548	T540-G544 PolarHBondContact O-N 3.29Å; E541-G544 PolarHBondContact O-N 2.95Å; I542-G544 VanDerWaalsContact C-N 3.27Å; I542-G544 PolarHBondContact O-N 3.12Å; G544-R547 PolarHBondContact O-N 3.07Å; G544-K548 WeakPolarHBondContact O-CG 3.2Å; G544-K548 PolarHBondContact O-N 3.2Å
545	R	90.1	Very high	83.5	Confident	95 Å²	95	96.7 Å²	96.7	36%	0.358	48%	0.475	S	S	.	.	H	α-helix	trans	-66	-40.5	174.9	-71.3	166.4	60.6	-162.7	-6	112.1	C492 L494 E541 I542 S543 K548 R549	C492-R545 PolarHBondContact O-NH1 2.86Å; L494-R545 HydrophobicContact CD2-CB 3.8Å; E541-R545 WeakPolarHBondContact O-CG 2.97Å; E541-R545 PolarHBondContact O-N 3.24Å; I542-R545 WeakPolarHBondContact O-CA 3.14Å; I542-R545 WeakPolarHBondContact O-CB 3.38Å; I542-R545 PolarHBondContact O-N 3.45Å; S543-R545 PolarHBondContact O-N 3.41Å; R545-K548 PolarHBondContact O-N 2.98Å; R545-R549 PolarHBondContact O-N 2.95Å; R545-R549 VanDerWaalsContact O-N 3.09Å
546	I	89.3	Confident	83.9	Confident	48 Å²	48	96.3 Å²	96.3	25%	0.246	47%	0.471	C	S	.	.	H	α-helix	trans	-61.3	-49.2	175.4	-65.2	169.7	0	0	0	109.9	L494 F496 I542 S543 K548 R549 K550	L494-I546 HydrophobicContact CB-CG1 4.21Å; L494-I546 HydrophobicContact CD2-CG1 3.99Å; L494-I546 HydrophobicContact CG-CG1 4.48Å; L494-I546 WeakPolarHBondContact O-CD1 3.35Å; F496-I546 HydrophobicContact CE2-CD1 3.99Å; F496-I546 HydrophobicContact CZ-CD1 4.12Å; I542-I546 HydrophobicContact CG2-CD1 4.15Å; I542-I546 WeakPolarHBondContact O-CG1 3.41Å; I542-I546 PolarHBondContact O-N 3.5Å; S543-I546 PolarHBondContact O-N 3.1Å; I546-K548 VanDerWaalsContact C-N 3.34Å; I546-K548 PolarHBondContact O-N 2.72Å; I546-R549 PolarHBondContact O-N 2.97Å; I546-R549 VanDerWaalsContact O-N 3.13Å; I546-K550 PolarHBondContact O-N 2.87Å
547	R	89.6	Confident	84	Confident	181 Å²	181	101.6 Å²	101.6	68%	0.683	50%	0.496	S	S	*	.	H	α-helix	trans	-59.8	-42.8	178.5	-171.5	177	179.8	176.7	0.3	112.2	S543 G544 R549 K550 N551	S543-R547 PolarHBondContact O-N 3.36Å; G544-R547 PolarHBondContact O-N 3.07Å; R547-R549 VanDerWaalsContact C-N 3.31Å; R547-R549 PolarHBondContact O-N 2.86Å; R547-K550 PolarHBondContact O-N 2.59Å; R547-N551 WeakPolarHBondContact O-CB 3.35Å; R547-N551 PolarHBondContact O-N 3.22Å; R547-N551 PolarHBondContact O-OD1 3.36Å
548	K	89.5	Confident	83.8	Confident	156 Å²	156	107.2 Å²	107.2	68%	0.678	52%	0.523	S	S	*	.	H	α-helix	trans	-63.4	-32.6	176	-78.2	-177.6	179.5	-177.7	0	113.5	G544 R545 I546 K552	G544-K548 WeakPolarHBondContact O-CG 3.2Å; G544-K548 PolarHBondContact O-N 3.2Å; R545-K548 PolarHBondContact O-N 2.98Å; I546-K548 VanDerWaalsContact C-N 3.34Å; I546-K548 PolarHBondContact O-N 2.72Å; K548-K552 PolarHBondContact O-N 2.81Å
549	R	88.6	Confident	83.8	Confident	148 Å²	148	110.6 Å²	110.6	56%	0.558	53%	0.533	S	S	*	.	H	α-helix	trans	-70.6	-47.3	174.4	-80.5	-168.2	174.6	-176.7	-5.7	111.4	R545 I546 R547 N551 K552 E553	R545-R549 PolarHBondContact O-N 2.95Å; R545-R549 VanDerWaalsContact O-N 3.09Å; I546-R549 PolarHBondContact O-N 2.97Å; I546-R549 VanDerWaalsContact O-N 3.13Å; R547-R549 VanDerWaalsContact C-N 3.31Å; R547-R549 PolarHBondContact O-N 2.86Å; R549-N551 VanDerWaalsContact C-N 3.29Å; R549-N551 PolarHBondContact O-N 3.22Å; R549-K552 PolarHBondContact O-N 3.11Å; R549-E553 PolarHBondContact O-N 3.23Å
550	K	86.6	Confident	83.9	Confident	132 Å²	132	114.1 Å²	114.1	57%	0.574	54%	0.544	S	S	*	.	H	α-helix	trans	-56.5	-42.3	175.4	-69.8	-171.2	174	-169.4	0	112.4	I546 R547 K552 E553 N554	I546-K550 PolarHBondContact O-N 2.87Å; R547-K550 PolarHBondContact O-N 2.59Å; K550-K552 PolarHBondContact O-N 3.11Å; K550-E553 PolarHBondContact O-N 3.43Å; K550-N554 PolarHBondContact O-N 3.37Å
551	N	83	Confident	84	Confident	103 Å²	103	113.9 Å²	113.9	55%	0.551	53%	0.532	S	S	*	.	H	α-helix	trans	-71.4	-8.9	177.5	-73.5	14	0	0	0	115	R547 R549	R547-N551 WeakPolarHBondContact O-CB 3.35Å; R547-N551 PolarHBondContact O-N 3.22Å; R547-N551 PolarHBondContact O-OD1 3.36Å; R549-N551 VanDerWaalsContact C-N 3.29Å; R549-N551 PolarHBondContact O-N 3.22Å
552	K	81.1	Confident	84.1	Confident	186 Å²	186	113.9 Å²	113.9	81%	0.809	53%	0.532	S	S	*	.	H	α-helix	trans	-98.2	-17.1	173.5	-81.8	-171.9	173.2	-164	0	112.5	K548 R549 K550	K548-K552 PolarHBondContact O-N 2.81Å; R549-K552 PolarHBondContact O-N 3.11Å; K550-K552 PolarHBondContact O-N 3.11Å
553	E	73.1	Confident	83.8	Confident	155 Å²	155	123.3 Å²	123.3	72%	0.724	58%	0.576	S	S	*	*	H	α-helix	trans	-90.6	-19.8	178.2	-71.3	166.4	-178.7	0	0	111.5	R549 K550	R549-E553 PolarHBondContact O-N 3.23Å; K550-E553 PolarHBondContact O-N 3.43Å
554	N	58.2	Low	83.4	Confident	188 Å²	188	129.5 Å²	129.5	100%	1.005	59%	0.593	S	S	*	*			trans	-93.1	0	161.6	-64.2	-10.5	0	0	0	109.9	K550	K550-N554 PolarHBondContact O-N 3.37Å

Retrieved 554 of 554 residues in 814.8 ms (Link to these results)

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