A0A096M1J3_POEFO Loading...

SRCR domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M1J3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 490 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	62.5	Low	63.1	Low	206 Å²	206	139.3 Å²	139.3	100%	1.015	67%	0.671	S	S	*	*				0	-74.9	0	-63.3	-178.1	83.8	0	0	112.1	L3 L4 Q5	M1-L3 PolarHBondContact O-N 3.47Å; M1-L4 PolarHBondContact O-N 2.95Å; M1-Q5 PolarHBondContact O-N 3.02Å
2	K	67.4	Low	62.3	Low	180 Å²	180	137.1 Å²	137.1	78%	0.783	66%	0.664	S	S	*	*	H	α-helix	trans	-51.3	-33.2	-176.6	-69.7	-171.4	176.3	-175.7	0	115.4	Q5 F6	K2-Q5 WeakPolarHBondContact O-CB 3.44Å; K2-Q5 PolarHBondContact O-N 3.3Å; K2-F6 PolarHBondContact O-N 3.45Å
3	L	62.6	Low	61.5	Low	135 Å²	135	133.5 Å²	133.5	71%	0.707	66%	0.662	S	S	*	*	H	α-helix	trans	-66.4	-38.2	176.4	-150.7	78.7	0	0	0	113.8	M1 Q5 F6 L7	M1-L3 PolarHBondContact O-N 3.47Å; L3-Q5 VanDerWaalsContact C-N 3.29Å; L3-Q5 PolarHBondContact O-N 3.37Å; L3-F6 PolarHBondContact O-N 3.45Å; L3-L7 WeakPolarHBondContact O-CG 3.37Å; L3-L7 PolarHBondContact O-N 3.32Å; L3-L7 VanDerWaalsContact O-N 3.15Å
4	L	62.9	Low	60.9	Low	128 Å²	128	130.8 Å²	130.8	67%	0.67	66%	0.662	S	S	*	*	H	α-helix	trans	-65.9	-36.3	174.1	-89.4	78.6	0	0	0	110.9	M1 F6 L7 F8	M1-L4 PolarHBondContact O-N 2.95Å; L4-F6 VanDerWaalsContact C-N 3.3Å; L4-F6 PolarHBondContact O-N 3.21Å; L4-L7 PolarHBondContact O-N 3.44Å; L4-F8 PolarHBondContact O-N 3.39Å
5	Q	67.6	Low	60.2	Low	130 Å²	130	130.9 Å²	130.9	61%	0.607	66%	0.664	S	S	*	*	H	α-helix	trans	-64.6	-36	179.8	-149	168.5	4.6	0	0	111.5	M1 K2 L3 I9	M1-Q5 PolarHBondContact O-N 3.02Å; K2-Q5 WeakPolarHBondContact O-CB 3.44Å; K2-Q5 PolarHBondContact O-N 3.3Å; L3-Q5 VanDerWaalsContact C-N 3.29Å; L3-Q5 PolarHBondContact O-N 3.37Å; Q5-I9 WeakPolarHBondContact O-CD1 3.46Å; Q5-I9 WeakPolarHBondContact O-CG1 3.45Å; Q5-I9 PolarHBondContact O-N 3.48Å
6	F	67.3	Low	59.6	Low	151 Å²	151	127.8 Å²	127.8	66%	0.662	66%	0.658	S	S	*	*	H	α-helix	trans	-68.9	-42.8	171.9	-116.3	-92.5	0	0	0	112.9	K2 L3 L4 F8 I9 L10	K2-F6 PolarHBondContact O-N 3.45Å; L3-F6 PolarHBondContact O-N 3.45Å; L4-F6 VanDerWaalsContact C-N 3.3Å; L4-F6 PolarHBondContact O-N 3.21Å; F6-F8 VanDerWaalsContact C-N 3.32Å; F6-F8 PolarHBondContact O-N 3.15Å; F6-I9 PolarHBondContact O-N 3.24Å; F6-L10 HydrophobicContact CD1-CD1 4.49Å; F6-L10 WeakPolarHBondContact O-CG 3.45Å; F6-L10 PolarHBondContact O-N 3.1Å; F6-L10 VanDerWaalsContact O-N 3.1Å
7	L	64.6	Low	59.1	Low	98 Å²	98	127.5 Å²	127.5	51%	0.513	67%	0.666	S	S	.	*	H	α-helix	trans	-64.3	-35.9	177.9	-70.5	168	0	0	0	112.4	L3 L4 L10 Q11	L3-L7 WeakPolarHBondContact O-CG 3.37Å; L3-L7 PolarHBondContact O-N 3.32Å; L3-L7 VanDerWaalsContact O-N 3.15Å; L4-L7 PolarHBondContact O-N 3.44Å; L7-L10 PolarHBondContact O-N 3.32Å; L7-Q11 PolarHBondContact O-N 3.49Å; L7-Q11 VanDerWaalsContact O-N 3.09Å
8	F	63.5	Low	58.6	Low	146 Å²	146	126.8 Å²	126.8	64%	0.64	67%	0.668	S	S	*	*	H	α-helix	trans	-65.8	-37.6	177.1	-149.9	-95.6	0	0	0	112.5	L4 F6 L12	L4-F8 PolarHBondContact O-N 3.39Å; F6-F8 VanDerWaalsContact C-N 3.32Å; F6-F8 PolarHBondContact O-N 3.15Å; F8-L12 HydrophobicContact CD1-CD1 4.09Å; F8-L12 HydrophobicContact CE1-CD1 4.24Å; F8-L12 PolarHBondContact O-N 2.94Å
9	I	64.5	Low	58	Low	108 Å²	108	127.9 Å²	127.9	55%	0.554	67%	0.674	S	S	*	*	H	α-helix	trans	-70.4	-35.7	176	-65.4	166.4	0	0	0	111.1	Q5 F6 L12 S13	Q5-I9 WeakPolarHBondContact O-CD1 3.46Å; Q5-I9 WeakPolarHBondContact O-CG1 3.45Å; Q5-I9 PolarHBondContact O-N 3.48Å; F6-I9 PolarHBondContact O-N 3.24Å; I9-L12 PolarHBondContact O-N 3.43Å; I9-S13 PolarHBondContact O-N 3.42Å; I9-S13 PolarHBondContact O-OG 3.09Å
10	L	54.5	Low	57.5	Low	105 Å²	105	129.4 Å²	129.4	55%	0.55	68%	0.681	S	S	.	*	H	α-helix	trans	-72.4	-24.8	177.1	-73.1	168	0	0	0	113.8	F6 L7 S13	F6-L10 HydrophobicContact CD1-CD1 4.49Å; F6-L10 WeakPolarHBondContact O-CG 3.45Å; F6-L10 PolarHBondContact O-N 3.1Å; F6-L10 VanDerWaalsContact O-N 3.1Å; L7-L10 PolarHBondContact O-N 3.32Å; L10-S13 PolarHBondContact O-OG 2.95Å
11	Q	56.7	Low	56.9	Low	145 Å²	145	130.2 Å²	130.2	68%	0.678	69%	0.686	S	S	*	*	H	α-helix	trans	-81.4	-23.7	172.4	-70.1	-161.7	-63.5	0	0	113.8	L7 S13 S14	L7-Q11 PolarHBondContact O-N 3.49Å; L7-Q11 VanDerWaalsContact O-N 3.09Å; Q11-S13 VanDerWaalsContact C-N 3.31Å; Q11-S14 PolarHBondContact O-OG 3.42Å
12	L	53.1	Low	56.3	Low	113 Å²	113	126 Å²	126	59%	0.592	67%	0.672	S	S	*	*	H	α-helix	trans	-78.3	-14.6	175.4	-72.7	168.2	0	0	0	113.4	F8 I9 L15	F8-L12 HydrophobicContact CD1-CD1 4.09Å; F8-L12 HydrophobicContact CE1-CD1 4.24Å; F8-L12 PolarHBondContact O-N 2.94Å; I9-L12 PolarHBondContact O-N 3.43Å; L12-L15 HydrophobicContact CD2-CD1 4.47Å
13	S	52.2	Low	55.3	Low	91 Å²	91	125.4 Å²	125.4	64%	0.636	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	0.5	179.3	34	0	0	0	0	114.1	I9 L10 Q11	I9-S13 PolarHBondContact O-N 3.42Å; I9-S13 PolarHBondContact O-OG 3.09Å; L10-S13 PolarHBondContact O-OG 2.95Å; Q11-S13 VanDerWaalsContact C-N 3.31Å
14	S	52.6	Low	54.4	Low	95 Å²	95	123 Å²	123	66%	0.664	68%	0.676	S	S	*	*	S	Bend	trans	-109	8.1	173.2	66.2	0	0	0	0	114	Q11	Q11-S14 PolarHBondContact O-OG 3.42Å
15	L	50.3	Low	53.5	Low	132 Å²	132	122.6 Å²	122.6	69%	0.691	68%	0.681	S	S	*	*	S	Bend	trans	-87.1	114.8	172.3	-74.7	167.7	0	0	0	109.2	L12	L12-L15 HydrophobicContact CD2-CD1 4.47Å
16	S	51.3	Low	52.3	Low	81 Å²	81	124.3 Å²	124.3	57%	0.566	69%	0.694	S	S	*	*			trans	-63	145.8	179.1	52.9	0	0	0	0	112	V18	S16-V18 PolarHBondContact O-N 3.38Å
17	P	50.5	Low	51.3	Low	123 Å²	123	121.9 Å²	121.9	80%	0.799	69%	0.694	S	S	*	*	S	Bend	trans	-72	23.6	-179.7	32.7	-38.1	0	0	0	114.5	L19	P17-L19 VanDerWaalsContact C-N 3.34Å; P17-L19 PolarHBondContact O-N 3.35Å
18	V	51	Low	50.7	Low	115 Å²	115	125.8 Å²	125.8	70%	0.697	71%	0.714	S	S	*	*			trans	-94.7	14.6	-169.9	-173.6	0	0	0	0	111.7	S16	S16-V18 PolarHBondContact O-N 3.38Å
19	L	47.2	Very low	49.3	Very low	148 Å²	148	123.8 Å²	123.8	78%	0.775	71%	0.714	S	S	*	*	S	Bend	trans	-144	48	-174	-153.4	77.4	0	0	0	113.8	P17	P17-L19 VanDerWaalsContact C-N 3.34Å; P17-L19 PolarHBondContact O-N 3.35Å
20	L	47.6	Very low	47.9	Very low	158 Å²	158	124.4 Å²	124.4	83%	0.827	72%	0.723	S	S	*	*	S	Bend	trans	-136.1	-13.5	173.7	-119.3	142.7	0	0	0	115.4	V22	L20-V22 VanDerWaalsContact C-N 3.34Å; L20-V22 PolarHBondContact O-N 3.3Å
21	D	44	Very low	46.8	Very low	146 Å²	146	128.6 Å²	128.6	78%	0.781	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-85.9	5.8	-179.5	-60.7	-47.2	0	0	0	115	L23	D21-L23 PolarHBondContact O-N 2.83Å
22	V	50.3	Low	45.6	Very low	118 Å²	118	127.4 Å²	127.4	72%	0.715	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-85.9	-3.3	-169.7	-177.5	0	0	0	0	113.6	L20	L20-V22 VanDerWaalsContact C-N 3.34Å; L20-V22 PolarHBondContact O-N 3.3Å
23	L	47.7	Very low	44.8	Very low	167 Å²	167	127.9 Å²	127.9	87%	0.874	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-137.3	39.7	-172.8	-69.1	175.5	0	0	0	114.6	D21	D21-L23 PolarHBondContact O-N 2.83Å
24	A	43.1	Very low	44.1	Very low	86 Å²	86	130.6 Å²	130.6	71%	0.711	76%	0.755	S	S	*	*			trans	-108.4	128.1	165.3	0	0	0	0	0	110.2
25	P	44.9	Very low	43.5	Very low	119 Å²	119	134.8 Å²	134.8	77%	0.773	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-79.4	152	176	32.5	-34.4	0	0	0	112.2	P27	P25-P27 WeakPolarHBondContact O-CD 3.45Å
26	D	41.7	Very low	42.8	Very low	165 Å²	165	135 Å²	135	88%	0.882	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-56.8	122.7	-168.5	-61.4	-69.1	0	0	0	115.3
27	P	46.3	Very low	42.4	Very low	101 Å²	101	136.4 Å²	136.4	66%	0.656	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-84.3	116.8	160.4	32.1	-28.5	0	0	0	110.3	P25 T29	P25-P27 WeakPolarHBondContact O-CD 3.45Å; P27-T29 VanDerWaalsContact C-N 3.3Å; P27-T29 PolarHBondContact O-N 3.42Å
28	L	51	Low	42.4	Very low	180 Å²	180	139.2 Å²	139.2	94%	0.942	76%	0.757	S	S	*	*			trans	-70.4	83.1	171	-178.1	75.5	0	0	0	110.5
29	T	34.2	Very low	42.4	Very low	104 Å²	104	136.5 Å²	136.5	64%	0.638	74%	0.739	S	S	*	*			trans	-136.7	107.7	175.5	48	0	0	0	0	112.3	P27	P27-T29 VanDerWaalsContact C-N 3.3Å; P27-T29 PolarHBondContact O-N 3.42Å
30	T	36.6	Very low	42.8	Very low	121 Å²	121	130.6 Å²	130.6	74%	0.742	71%	0.709	S	S	*	*			trans	41.1	109.3	143.2	55.6	0	0	0	0	117.7	T32	T30-T32 PolarHBondContact O-N 2.89Å
31	E	31	Very low	43.3	Very low	192 Å²	192	129.4 Å²	129.4	90%	0.897	69%	0.694	S	S	*	*			trans	-50.4	115.3	152	-64.1	177.3	159.3	0	0	108.9	P33	E31-P33 WeakPolarHBondContact O-CD 3.3Å
32	T	31.4	Very low	44	Very low	121 Å²	121	124.2 Å²	124.2	74%	0.742	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-65.4	123.5	159.2	46.9	0	0	0	0	106.6	T30 E34	T30-T32 PolarHBondContact O-N 2.89Å; T32-E34 PolarHBondContact O-N 3.06Å; T32-E34 VanDerWaalsContact O-N 3.12Å
33	P	36.2	Very low	44.1	Very low	122 Å²	122	123.5 Å²	123.5	79%	0.792	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-55.8	123.5	172.7	-22.7	33.5	0	0	0	108.5	E31 E35	E31-P33 WeakPolarHBondContact O-CD 3.3Å; P33-E35 PolarHBondContact O-N 3.28Å
34	E	36.4	Very low	44.2	Very low	149 Å²	149	121.2 Å²	121.2	70%	0.696	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-56	130	169	-70.8	-174.2	120.4	0	0	107.8	T32 F36	T32-E34 PolarHBondContact O-N 3.06Å; T32-E34 VanDerWaalsContact O-N 3.12Å; E34-F36 HydrophobicContact CB-CD2 3.77Å; E34-F36 HydrophobicContact CB-CE2 3.52Å; E34-F36 HydrophobicContact CB-CZ 4.21Å; E34-F36 HydrophobicContact CG-CE2 4.32Å; E34-F36 PolarHBondContact O-N 3.22Å; E34-F36 VanDerWaalsContact OE2-CE2 3.23Å; E34-F36 WeakPolarHBondContact OE2-CE2 3.23Å; E34-F36 VanDerWaalsContact OE2-CZ 3.3Å; E34-F36 WeakPolarHBondContact OE2-CZ 3.44Å
35	E	40.2	Very low	44.5	Very low	183 Å²	183	121.7 Å²	121.7	86%	0.855	63%	0.631	S	S	*	*			trans	-74.4	72.8	-176.9	-167.4	168.4	-173.5	0	0	109.5	P33 D37	P33-E35 PolarHBondContact O-N 3.28Å; E35-D37 VanDerWaalsContact C-N 3.3Å; E35-D37 PolarHBondContact O-N 2.76Å
36	F	36.6	Very low	45.1	Very low	137 Å²	137	118.9 Å²	118.9	60%	0.601	62%	0.624	S	S	*	*			trans	-69.7	87.5	179.6	-84.1	-68.1	0	0	0	110.3	E34 Y38	E34-F36 HydrophobicContact CB-CD2 3.77Å; E34-F36 HydrophobicContact CB-CE2 3.52Å; E34-F36 HydrophobicContact CB-CZ 4.21Å; E34-F36 HydrophobicContact CG-CE2 4.32Å; E34-F36 PolarHBondContact O-N 3.22Å; E34-F36 VanDerWaalsContact OE2-CE2 3.23Å; E34-F36 WeakPolarHBondContact OE2-CE2 3.23Å; E34-F36 VanDerWaalsContact OE2-CZ 3.3Å; E34-F36 WeakPolarHBondContact OE2-CZ 3.44Å; F36-Y38 VanDerWaalsContact C-N 3.29Å; F36-Y38 PolarHBondContact O-N 3.12Å
37	D	43.6	Very low	45.8	Very low	109 Å²	109	111.7 Å²	111.7	58%	0.583	59%	0.587	S	S	*	*			trans	-69.5	80.6	177.3	-165.7	39.3	0	0	0	111.8	E35 R111	E35-D37 VanDerWaalsContact C-N 3.3Å; E35-D37 PolarHBondContact O-N 2.76Å; D37-R111 IonicContact OD1-CZ 3.56Å; D37-R111 IonicContact OD1-NH1 3.64Å; D37-R111 IonicContact OD1-NH2 2.68Å; D37-R111 PolarHBondContact OD1-NH2 3.46Å
38	Y	49.8	Very low	46.5	Very low	182 Å²	182	108.7 Å²	108.7	71%	0.714	57%	0.566	S	S	*	*			trans	-127.1	72.3	170.7	-82.6	-78.3	0	0	0	109.9	F36	F36-Y38 VanDerWaalsContact C-N 3.29Å; F36-Y38 PolarHBondContact O-N 3.12Å
39	D	50.9	Low	47.7	Very low	59 Å²	59	100.2 Å²	100.2	32%	0.316	52%	0.522	S	S	.	.			trans	-55.6	159.5	166.2	-103.4	-39	0	0	0	112.4	R111	D39-R111 VanDerWaalsContact CG-NE 3.29Å; D39-R111 WeakPolarHBondContact OD1-CD 3.34Å; D39-R111 WeakPolarHBondContact OD1-CG 3.2Å; D39-R111 IonicContact OD1-CZ 3.51Å; D39-R111 IonicContact OD1-NE 2.74Å; D39-R111 PolarHBondContact OD1-NE 3.35Å; D39-R111 IonicContact OD1-NH2 3.5Å; D39-R111 IonicContact OD2-CZ 3.5Å; D39-R111 IonicContact OD2-NE 3.47Å; D39-R111 PolarHBondContact OD2-NE 2.97Å; D39-R111 IonicContact OD2-NH2 2.7Å; D39-R111 PolarHBondContact OD2-NH2 3.4Å
40	P	54.6	Low	50	Low	23 Å²	23	99.7 Å²	99.7	15%	0.149	51%	0.508	C	S	.	.			trans	-61.2	138.9	159.1	29.2	-32	0	0	0	109.3	V42 W110	P40-V42 VanDerWaalsContact C-N 3.34Å; P40-V42 PolarHBondContact O-N 2.95Å; P40-W110 WeakPolarHBondContact CD-O 3.43Å; P40-W110 WeakPolarHBondContact CG-O 3.33Å
41	Y	59.1	Low	52.2	Low	133 Å²	133	94.1 Å²	94.1	52%	0.522	47%	0.474	S	S	.	.			trans	-68.4	86.5	-178.1	-83.3	-102.9	0	0	0	111.4	H43 W51	Y41-H43 AromaticContact CD1-NE2 3.78Å; Y41-H43 PolarHBondContact O-N 3.18Å; Y41-W51 WeakPolarHBondContact O-CA 3.43Å
42	V	57.6	Low	54.5	Low	38 Å²	38	85.9 Å²	85.9	23%	0.23	44%	0.437	C	S	.	.			trans	-86.5	98.9	171.9	-175.7	0	0	0	0	109.5	P40 H44 R50 W51 L82	P40-V42 VanDerWaalsContact C-N 3.34Å; P40-V42 PolarHBondContact O-N 2.95Å; V42-H44 PolarHBondContact O-N 3.11Å; V42-R50 CarbonylContact C-O 3.51Å; V42-R50 WeakPolarHBondContact CA-O 3.27Å; V42-W51 HydrophobicContact CG2-CB 4.08Å; V42-L82 HydrophobicContact CG1-CD2 3.83Å; V42-L82 HydrophobicContact CG2-CD2 4.25Å
43	H	52.5	Low	56.8	Low	102 Å²	102	80.3 Å²	80.3	47%	0.472	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	102.4	169.5	-71.1	-84.2	0	0	0	109.9	Y41 L45 R50	Y41-H43 AromaticContact CD1-NE2 3.78Å; Y41-H43 PolarHBondContact O-N 3.18Å; H43-L45 PolarHBondContact O-N 2.78Å; H43-R50 HydrophobicContact CB-CB 4.24Å; H43-R50 PolarHBondContact N-O 2.86Å; H43-R50 PolarHBondContact O-N 2.87Å
44	H	50.1	Low	58.8	Low	120 Å²	120	79.5 Å²	79.5	56%	0.556	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	120	167.5	-67.1	-82.2	0	0	0	110.2	V42 C49	V42-H44 PolarHBondContact O-N 3.11Å; H44-C49 PolarHBondContact ND1-SG 2.88Å
45	L	49.7	Very low	60.4	Low	96 Å²	96	75.3 Å²	75.3	50%	0.503	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	82.3	179.5	-66.6	175.1	0	0	0	108.2	H43 S47 T48	H43-L45 PolarHBondContact O-N 2.78Å; L45-S47 PolarHBondContact O-N 3.42Å; L45-T48 CarbonylContact C-O 3.53Å; L45-T48 PolarHBondContact N-O 2.86Å; L45-T48 PolarHBondContact O-N 3.37Å; L45-T48 PolarHBondContact O-OG1 3.18Å
46	G	58.1	Low	61.4	Low	60 Å²	60	70.4 Å²	70.4	62%	0.619	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	-125.4	-172.7	0	0	0	0	0	111.3	T48	G46-T48 VanDerWaalsContact C-N 3.25Å; G46-T48 PolarHBondContact O-N 2.89Å
47	S	56.7	Low	62.2	Low	14 Å²	14	68.1 Å²	68.1	10%	0.098	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	6.7	175.2	69.2	0	0	0	0	114.7	L45 N212	L45-S47 PolarHBondContact O-N 3.42Å; S47-N212 PolarHBondContact OG-ND2 3.2Å
48	T	61.2	Low	62.3	Low	37 Å²	37	67.9 Å²	67.9	23%	0.227	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146.1	176.3	69.4	0	0	0	0	110	L45 G46 C131	L45-T48 CarbonylContact C-O 3.53Å; L45-T48 PolarHBondContact N-O 2.86Å; L45-T48 PolarHBondContact O-N 3.37Å; L45-T48 PolarHBondContact O-OG1 3.18Å; G46-T48 VanDerWaalsContact C-N 3.25Å; G46-T48 PolarHBondContact O-N 2.89Å; T48-C131 WeakPolarHBondContact CA-O 3.24Å
49	C	75.2	Confident	62.3	Low	2 Å²	2	71.2 Å²	71.2	1%	0.014	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	118.5	-177.3	-55.3	0	0	0	0	109.9	H44 C84 C131	H44-C49 PolarHBondContact ND1-SG 2.88Å; C49-C84 HydrophobicContact CB-CB 3.4Å; C49-C84 WeakPolarHBondContact CB-SG 3.33Å; C49-C84 WeakPolarHBondContact SG-CB 3.27Å; C49-C84 CovalentContact SG-SG 2.01Å; C49-C84 PolarHBondContact SG-SG 3.39Å; C49-C131 HydrophobicContact CB-CB 4.34Å; C49-C131 PolarHBondContact N-O 2.99Å; C49-C131 PolarHBondContact O-N 2.72Å
50	R	82.2	Confident	62.4	Low	93 Å²	93	71.6 Å²	71.6	35%	0.351	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.8	-176.8	173.9	-171.4	-65.3	-109.3	-4.4	108.5	V42 H43 E128 V129	V42-R50 CarbonylContact C-O 3.51Å; V42-R50 WeakPolarHBondContact CA-O 3.27Å; H43-R50 HydrophobicContact CB-CB 4.24Å; H43-R50 PolarHBondContact N-O 2.86Å; H43-R50 PolarHBondContact O-N 2.87Å; R50-E128 WeakPolarHBondContact CD-OE1 3.14Å; R50-E128 HydrophobicContact CG-CG 3.86Å; R50-E128 WeakPolarHBondContact CG-OE1 3.34Å; R50-E128 IonicContact CZ-OE1 2.99Å; R50-E128 IonicContact CZ-OE2 3.44Å; R50-E128 IonicContact NE-OE1 2.66Å; R50-E128 IonicContact NH1-OE1 3.24Å; R50-E128 PolarHBondContact NH1-OE1 2.81Å; R50-E128 IonicContact NH1-OE2 2.65Å; R50-E128 PolarHBondContact NH1-OE2 2.02Å; R50-V129 CarbonylContact C-O 3.52Å; R50-V129 WeakPolarHBondContact CA-O 3.34Å
51	W	82.2	Confident	62.7	Low	5 Å²	5	71.2 Å²	71.2	2%	0.019	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	162.5	-178.3	59.7	-88.1	0	0	0	112.8	Y41 V42 L53 A75 I78 L82 V129 C131	Y41-W51 WeakPolarHBondContact O-CA 3.43Å; V42-W51 HydrophobicContact CG2-CB 4.08Å; W51-L53 HydrophobicContact CZ3-CB 4.06Å; W51-L53 HydrophobicContact CZ3-CD1 4.11Å; W51-A75 HydrophobicContact CH2-CB 4.16Å; W51-A75 HydrophobicContact CZ2-CB 4.07Å; W51-I78 HydrophobicContact CD2-CG2 3.86Å; W51-I78 VanDerWaalsContact CE2-CG2 3.46Å; W51-I78 HydrophobicContact CE3-CG2 4.21Å; W51-I78 HydrophobicContact CG-CG2 4.48Å; W51-I78 HydrophobicContact CH2-CB 3.94Å; W51-I78 HydrophobicContact CH2-CD1 3.55Å; W51-I78 HydrophobicContact CH2-CG1 4.31Å; W51-I78 HydrophobicContact CH2-CG2 3.92Å; W51-I78 HydrophobicContact CZ2-CB 3.66Å; W51-I78 HydrophobicContact CZ2-CD1 4.2Å; W51-I78 HydrophobicContact CZ2-CG2 3.5Å; W51-I78 HydrophobicContact CZ3-CD1 3.74Å; W51-I78 HydrophobicContact CZ3-CG2 4.24Å; W51-L82 HydrophobicContact CG-CD1 4.22Å; W51-V129 HydrophobicContact CD2-CB 3.86Å; W51-V129 HydrophobicContact CD2-CG1 4.45Å; W51-V129 HydrophobicContact CD2-CG2 4.32Å; W51-V129 HydrophobicContact CE3-CB 4.29Å; W51-V129 HydrophobicContact CE3-CG2 4.25Å; W51-V129 HydrophobicContact CG-CB 4.37Å; W51-V129 HydrophobicContact CH2-CB 4.11Å; W51-V129 HydrophobicContact CH2-CG1 4.27Å; W51-V129 HydrophobicContact CH2-CG2 3.76Å; W51-V129 HydrophobicContact CZ2-CB 3.66Å; W51-V129 HydrophobicContact CZ2-CG1 3.5Å; W51-V129 HydrophobicContact CZ2-CG2 3.83Å; W51-V129 HydrophobicContact CZ3-CB 4.4Å; W51-V129 HydrophobicContact CZ3-CG2 3.98Å; W51-V129 PolarHBondContact N-O 3.24Å; W51-V129 PolarHBondContact O-N 3.44Å; W51-C131 VanDerWaalsContact CD1-SG 3.59Å; W51-C131 PolarHBondContact NE1-SG 3.34Å
52	T	80.7	Confident	63.1	Low	19 Å²	19	69.4 Å²	69.4	12%	0.117	38%	0.378	C	S	.	.			trans	-132.6	134.5	179	75	0	0	0	0	109.9	R54 T127	T52-R54 PolarHBondContact OG1-NE 2.94Å; T52-T127 VanDerWaalsContact CG2-O 3.24Å; T52-T127 WeakPolarHBondContact CG2-O 3.43Å
53	L	79.8	Confident	64	Low	4 Å²	4	69.1 Å²	69.1	2%	0.021	38%	0.379	C	S	.	.			trans	-88.2	119.1	-179.3	-159.8	65.3	0	0	0	111.7	W51 V64 L66 L74 I78 L112	W51-L53 HydrophobicContact CZ3-CB 4.06Å; W51-L53 HydrophobicContact CZ3-CD1 4.11Å; L53-V64 HydrophobicContact CB-CG2 4.48Å; L53-V64 HydrophobicContact CD2-CB 4.05Å; L53-V64 HydrophobicContact CD2-CG2 4.2Å; L53-V64 HydrophobicContact CG-CB 4.18Å; L53-V64 HydrophobicContact CG-CG2 3.83Å; L53-V64 PolarHBondContact O-N 3.27Å; L53-L66 HydrophobicContact CD2-CD1 3.65Å; L53-L66 HydrophobicContact CD2-CG 4.41Å; L53-L74 HydrophobicContact CD2-CD2 3.88Å; L53-I78 HydrophobicContact CD1-CD1 4.16Å; L53-L112 HydrophobicContact CD1-CD1 4.15Å; L53-L112 HydrophobicContact CD1-CD2 3.98Å; L53-L112 HydrophobicContact CD1-CG 4.45Å; L53-L112 HydrophobicContact CG-CD2 4.16Å
54	R	77.8	Confident	65.6	Low	105 Å²	105	64.3 Å²	64.3	40%	0.396	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-135	148	-177.6	-61.9	176.8	-179.1	-109.7	9.5	110.8	T52 G61 E62	T52-R54 PolarHBondContact OG1-NE 2.94Å; R54-G61 VanDerWaalsContact CD-O 3.24Å; R54-G61 WeakPolarHBondContact CD-O 3.27Å; R54-G61 VanDerWaalsContact CG-O 3.27Å; R54-G61 WeakPolarHBondContact CG-O 3.28Å; R54-G61 PolarHBondContact NH1-O 2.94Å; R54-E62 CarbonylContact C-O 3.5Å; R54-E62 WeakPolarHBondContact CA-O 3.5Å
55	M	69.1	Low	67.4	Low	60 Å²	60	58.9 Å²	58.9	30%	0.296	33%	0.333	S	S	.	.			trans	-70.4	140.1	173	-69.1	-59	-72.3	0	0	110.8	E62 V64 L112	M55-E62 PolarHBondContact N-O 3.46Å; M55-V64 HydrophobicContact CG-CG2 3.95Å; M55-V64 HydrophobicContact SD-CG1 4.05Å; M55-V64 HydrophobicContact SD-CG2 3.79Å; M55-L112 HydrophobicContact SD-CD2 4.29Å
56	P	61.7	Low	69.3	Low	81 Å²	81	54.4 Å²	54.4	53%	0.526	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	149.9	172.6	30	-35.9	0	0	0	111.7
57	G	53.5	Low	70.9	Confident	88 Å²	88	52 Å²	52	91%	0.907	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.4	9.5	161.4	0	0	0	0	0	118.4
58	N	46.1	Very low	72.3	Confident	104 Å²	104	53.7 Å²	53.7	56%	0.556	29%	0.293	S	S	*	.			trans	-136.9	142.1	172.2	-166.6	-2.8	0	0	0	112.3	S60 G61	N58-S60 PolarHBondContact ND2-OG 2.7Å; N58-S60 PolarHBondContact O-N 2.68Å; N58-S60 VanDerWaalsContact O-N 3.11Å; N58-G61 PolarHBondContact O-N 3.47Å
59	R	48.8	Very low	73.5	Confident	252 Å²	252	58.4 Å²	58.4	95%	0.951	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.9	-179.8	-64	-175.7	-178.9	-173.9	0.4	113.9
60	S	54.7	Low	74.2	Confident	67 Å²	67	60.5 Å²	60.5	47%	0.469	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-25.4	170.9	54.6	0	0	0	0	113.6	N58	N58-S60 PolarHBondContact ND2-OG 2.7Å; N58-S60 PolarHBondContact O-N 2.68Å; N58-S60 VanDerWaalsContact O-N 3.11Å
61	G	60	Low	74.5	Confident	16 Å²	16	56.2 Å²	56.2	17%	0.165	31%	0.309	C	S	.	.			trans	54.7	54	-171.3	0	0	0	0	0	111.8	R54 N58 A63	R54-G61 VanDerWaalsContact CD-O 3.24Å; R54-G61 WeakPolarHBondContact CD-O 3.27Å; R54-G61 VanDerWaalsContact CG-O 3.27Å; R54-G61 WeakPolarHBondContact CG-O 3.28Å; R54-G61 PolarHBondContact NH1-O 2.94Å; N58-G61 PolarHBondContact O-N 3.47Å; G61-A63 PolarHBondContact O-N 2.74Å
62	E	67.6	Low	74.6	Confident	95 Å²	95	59 Å²	59	44%	0.444	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-59.2	128.5	-170.6	-165.5	164.4	-177.7	0	0	112.2	R54 M55 M99	R54-E62 CarbonylContact C-O 3.5Å; R54-E62 WeakPolarHBondContact CA-O 3.5Å; M55-E62 PolarHBondContact N-O 3.46Å; E62-M99 HydrophobicContact CG-CE 3.62Å; E62-M99 WeakPolarHBondContact OE1-CE 3.43Å
63	A	77.1	Confident	75	Confident	32 Å²	32	62.7 Å²	62.7	26%	0.264	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-68.6	141.4	-177.3	0	0	0	0	0	110.9	G61 P65 V125	G61-A63 PolarHBondContact O-N 2.74Å; A63-P65 VanDerWaalsContact O-CD 3.27Å; A63-P65 WeakPolarHBondContact O-CD 2.96Å; A63-V125 HydrophobicContact CB-CB 4.08Å; A63-V125 HydrophobicContact CB-CG1 3.97Å
64	V	84.9	Confident	75.3	Confident	1 Å²	1	63 Å²	63	1%	0.006	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-86.5	116.9	-174.4	-166	0	0	0	0	110.7	L53 M55 L66 Y102 L112	L53-V64 HydrophobicContact CB-CG2 4.48Å; L53-V64 HydrophobicContact CD2-CB 4.05Å; L53-V64 HydrophobicContact CD2-CG2 4.2Å; L53-V64 HydrophobicContact CG-CB 4.18Å; L53-V64 HydrophobicContact CG-CG2 3.83Å; L53-V64 PolarHBondContact O-N 3.27Å; M55-V64 HydrophobicContact CG-CG2 3.95Å; M55-V64 HydrophobicContact SD-CG1 4.05Å; M55-V64 HydrophobicContact SD-CG2 3.79Å; V64-L66 HydrophobicContact CG1-CD2 3.68Å; V64-L66 HydrophobicContact CG1-CG 4.3Å; V64-Y102 HydrophobicContact CG1-CD2 4.26Å; V64-Y102 HydrophobicContact CG1-CG 4.42Å; V64-L112 HydrophobicContact CG2-CD2 3.67Å
65	P	89.1	Confident	75.8	Confident	6 Å²	6	58 Å²	58	4%	0.039	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122.8	175.2	-13	31.5	0	0	0	110	A63 P95 M99 K100 Y102 C123 I124 V125	A63-P65 VanDerWaalsContact O-CD 3.27Å; A63-P65 WeakPolarHBondContact O-CD 2.96Å; P65-P95 HydrophobicContact CB-CB 4.37Å; P65-P95 HydrophobicContact CB-CG 4.49Å; P65-P95 HydrophobicContact CG-CB 4.39Å; P65-M99 HydrophobicContact CG-CB 4.15Å; P65-M99 HydrophobicContact CG-CE 4.47Å; P65-M99 HydrophobicContact CG-CG 4.36Å; P65-M99 HydrophobicContact CG-SD 3.59Å; P65-M99 VanDerWaalsContact CG-SD 3.59Å; P65-K100 WeakPolarHBondContact CB-O 3.39Å; P65-K100 VanDerWaalsContact CG-O 3.28Å; P65-K100 WeakPolarHBondContact CG-O 3.37Å; P65-Y102 PolarHBondContact O-N 2.95Å; P65-C123 HydrophobicContact CB-CB 4.29Å; P65-I124 WeakPolarHBondContact CA-O 3.24Å; P65-V125 HydrophobicContact CB-CG1 3.91Å; P65-V125 HydrophobicContact CG-CG1 3.73Å
66	L	89.4	Confident	76.6	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	155	-176.9	-60.5	-175	0	0	0	111.5	L53 V64 Y70 L71 L74 Y102 C123 I124	L53-L66 HydrophobicContact CD2-CD1 3.65Å; L53-L66 HydrophobicContact CD2-CG 4.41Å; V64-L66 HydrophobicContact CG1-CD2 3.68Å; V64-L66 HydrophobicContact CG1-CG 4.3Å; L66-Y70 HydrophobicContact CD1-CD1 4.3Å; L66-Y70 HydrophobicContact CD1-CE1 4.42Å; L66-Y70 HydrophobicContact CD2-CD1 4.17Å; L66-Y70 HydrophobicContact CD2-CE1 4.22Å; L66-L71 HydrophobicContact CB-CB 4.07Å; L66-L71 HydrophobicContact CD1-CB 4.1Å; L66-L71 HydrophobicContact CD1-CD1 3.89Å; L66-L74 HydrophobicContact CD1-CD2 3.79Å; L66-Y102 WeakPolarHBondContact CD2-O 3.28Å; L66-C123 WeakPolarHBondContact O-CA 3.32Å; L66-I124 PolarHBondContact N-O 3.49Å; L66-I124 PolarHBondContact O-N 2.83Å
67	P	90.4	Very high	77.8	Confident	11 Å²	11	58.6 Å²	58.6	7%	0.071	33%	0.327	C	S	.	.			trans	-59.3	143	162.4	-8.6	16.4	0	0	0	110.2	D69 Y70 L71 Y102 Q103 M120	P67-D69 PolarHBondContact O-N 3.48Å; P67-Y70 PolarHBondContact O-N 3.43Å; P67-L71 PolarHBondContact O-N 2.79Å; P67-Y102 WeakPolarHBondContact CD-O 3.41Å; P67-Q103 HydrophobicContact CG-CB 4.32Å; P67-M120 HydrophobicContact CB-CE 4.14Å; P67-M120 HydrophobicContact CB-SD 3.74Å; P67-M120 HydrophobicContact CG-CE 4.07Å; P67-M120 HydrophobicContact CG-SD 3.63Å
68	P	86.6	Confident	79.3	Confident	49 Å²	49	54.4 Å²	54.4	32%	0.318	28%	0.284	S	S	.	.	H	α-helix	trans	-54.3	-51	-179.2	-28.2	35.5	0	0	0	114.4	Y70 L71 D72 D122 I124	P68-Y70 VanDerWaalsContact C-N 3.28Å; P68-Y70 PolarHBondContact O-N 3.23Å; P68-L71 WeakPolarHBondContact O-CB 2.95Å; P68-L71 PolarHBondContact O-N 3.04Å; P68-D72 PolarHBondContact O-N 3.22Å; P68-D72 VanDerWaalsContact O-N 3.17Å; P68-D122 WeakPolarHBondContact CD-O 3.34Å; P68-I124 HydrophobicContact CB-CD1 4.1Å; P68-I124 HydrophobicContact CG-CD1 4.15Å; P68-I124 HydrophobicContact CG-CG1 4.22Å
69	D	86.1	Confident	80.9	Confident	135 Å²	135	49.5 Å²	49.5	72%	0.722	26%	0.257	S	S	*	.	H	α-helix	trans	-64.7	-34.4	-177.8	-44.3	-31.3	0	0	0	112.1	P67 T73	P67-D69 PolarHBondContact O-N 3.48Å; D69-T73 PolarHBondContact O-N 2.97Å; D69-T73 PolarHBondContact O-OG1 3.01Å
70	Y	89.6	Confident	82.5	Confident	47 Å²	47	43.1 Å²	43.1	18%	0.184	24%	0.238	C	C	.	.	H	α-helix	trans	-74.8	-37.3	177.9	-177.8	-108	0	0	0	112	L66 P67 P68 L74 Q103 Q104 C105	L66-Y70 HydrophobicContact CD1-CD1 4.3Å; L66-Y70 HydrophobicContact CD1-CE1 4.42Å; L66-Y70 HydrophobicContact CD2-CD1 4.17Å; L66-Y70 HydrophobicContact CD2-CE1 4.22Å; P67-Y70 PolarHBondContact O-N 3.43Å; P68-Y70 VanDerWaalsContact C-N 3.28Å; P68-Y70 PolarHBondContact O-N 3.23Å; Y70-L74 HydrophobicContact CE1-CB 4.35Å; Y70-L74 HydrophobicContact CE1-CD2 4.01Å; Y70-L74 VanDerWaalsContact O-CB 3.29Å; Y70-L74 WeakPolarHBondContact O-CB 3.36Å; Y70-L74 PolarHBondContact O-N 3.49Å; Y70-Q103 HydrophobicContact CD1-CB 4.01Å; Y70-Q103 HydrophobicContact CE1-CB 4.34Å; Y70-Q103 HydrophobicContact CG-CB 4.22Å; Y70-Q104 VanDerWaalsContact CZ-N 3.35Å; Y70-C105 HydrophobicContact CE1-CB 4.32Å; Y70-C105 WeakPolarHBondContact OH-CB 3.33Å; Y70-C105 PolarHBondContact OH-N 3.31Å; Y70-C105 PolarHBondContact OH-O 3.49Å
71	L	88.4	Confident	83.8	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-50.1	173.9	167.9	63.6	0	0	0	111	L66 P67 P68 T73 L74 A75 V90 K92 I124 T126	L66-L71 HydrophobicContact CB-CB 4.07Å; L66-L71 HydrophobicContact CD1-CB 4.1Å; L66-L71 HydrophobicContact CD1-CD1 3.89Å; P67-L71 PolarHBondContact O-N 2.79Å; P68-L71 WeakPolarHBondContact O-CB 2.95Å; P68-L71 PolarHBondContact O-N 3.04Å; L71-T73 VanDerWaalsContact C-N 3.32Å; L71-T73 PolarHBondContact O-N 2.87Å; L71-L74 PolarHBondContact O-N 3.36Å; L71-A75 VanDerWaalsContact O-CB 3.31Å; L71-A75 WeakPolarHBondContact O-CB 3.04Å; L71-A75 PolarHBondContact O-N 3.47Å; L71-V90 HydrophobicContact CD2-CG1 4.01Å; L71-V90 HydrophobicContact CG-CG1 4.5Å; L71-K92 HydrophobicContact CD2-CD 4.31Å; L71-K92 HydrophobicContact CD2-CG 4.18Å; L71-I124 HydrophobicContact CD2-CD1 3.51Å; L71-I124 HydrophobicContact CD2-CG1 4.05Å; L71-T126 HydrophobicContact CD1-CG2 3.52Å; L71-T126 HydrophobicContact CD2-CG2 3.59Å; L71-T126 HydrophobicContact CG-CG2 4.16Å
72	D	85.4	Confident	84.6	Confident	65 Å²	65	42.6 Å²	42.6	35%	0.348	23%	0.226	S	C	.	.	H	α-helix	trans	-67.4	-37.3	-174.1	-66.2	-22.7	0	0	0	110.7	P68 A75 D76 K92	P68-D72 PolarHBondContact O-N 3.22Å; P68-D72 VanDerWaalsContact O-N 3.17Å; D72-A75 PolarHBondContact O-N 2.83Å; D72-D76 PolarHBondContact O-N 2.87Å; D72-K92 VanDerWaalsContact OD1-CE 3.31Å; D72-K92 WeakPolarHBondContact OD1-CE 3.31Å; D72-K92 IonicContact OD1-NZ 3.51Å; D72-K92 PolarHBondContact OD1-NZ 3.37Å; D72-K92 IonicContact OD2-NZ 3.62Å; D72-K92 PolarHBondContact OD2-NZ 2.96Å
73	T	88.1	Confident	84.9	Confident	96 Å²	96	46.3 Å²	46.3	59%	0.589	24%	0.241	S	C	*	.	H	α-helix	trans	-61.6	-45.5	170.5	-54.5	0	0	0	0	112.6	D69 L71 A75 Q77	D69-T73 PolarHBondContact O-N 2.97Å; D69-T73 PolarHBondContact O-OG1 3.01Å; L71-T73 VanDerWaalsContact C-N 3.32Å; L71-T73 PolarHBondContact O-N 2.87Å; T73-A75 VanDerWaalsContact C-N 3.34Å; T73-Q77 PolarHBondContact O-N 3.16Å
74	L	87.8	Confident	84.8	Confident	9 Å²	9	45.3 Å²	45.3	5%	0.047	23%	0.232	C	C	.	.	H	α-helix	trans	-68.8	-34.4	179.5	179.6	62.8	0	0	0	111.8	L53 L66 Y70 L71 Q77 I78 C105	L53-L74 HydrophobicContact CD2-CD2 3.88Å; L66-L74 HydrophobicContact CD1-CD2 3.79Å; Y70-L74 HydrophobicContact CE1-CB 4.35Å; Y70-L74 HydrophobicContact CE1-CD2 4.01Å; Y70-L74 VanDerWaalsContact O-CB 3.29Å; Y70-L74 WeakPolarHBondContact O-CB 3.36Å; Y70-L74 PolarHBondContact O-N 3.49Å; L71-L74 PolarHBondContact O-N 3.36Å; L74-Q77 PolarHBondContact O-N 3.29Å; L74-I78 HydrophobicContact CD1-CD1 3.95Å; L74-I78 HydrophobicContact CD1-CG1 4.22Å; L74-I78 HydrophobicContact CD2-CD1 4.38Å; L74-I78 HydrophobicContact CG-CD1 3.81Å; L74-I78 HydrophobicContact CG-CG1 4.44Å; L74-I78 WeakPolarHBondContact O-CG1 3.28Å; L74-I78 PolarHBondContact O-N 3.42Å; L74-C105 HydrophobicContact CD2-CB 4.03Å
75	A	87.9	Confident	84.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.1	-43.3	179.5	0	0	0	0	0	111.8	W51 L71 D72 T73 I78 C79 V87 V129	W51-A75 HydrophobicContact CH2-CB 4.16Å; W51-A75 HydrophobicContact CZ2-CB 4.07Å; L71-A75 VanDerWaalsContact O-CB 3.31Å; L71-A75 WeakPolarHBondContact O-CB 3.04Å; L71-A75 PolarHBondContact O-N 3.47Å; D72-A75 PolarHBondContact O-N 2.83Å; T73-A75 VanDerWaalsContact C-N 3.34Å; A75-I78 PolarHBondContact O-N 2.04Å; A75-C79 WeakPolarHBondContact O-CB 3.37Å; A75-C79 PolarHBondContact O-N 2.94Å; A75-C79 PolarHBondContact O-SG 3.47Å; A75-C79 VanDerWaalsContact O-SG 3.34Å; A75-V87 VanDerWaalsContact C-CG2 3.42Å; A75-V87 HydrophobicContact CB-CG2 3.6Å; A75-V129 HydrophobicContact CB-CG1 4.31Å
76	D	85.1	Confident	83.8	Confident	63 Å²	63	50.7 Å²	50.7	34%	0.337	26%	0.256	S	S	.	.	H	α-helix	trans	-65.9	-37	174.3	-100.6	-20.5	0	0	0	112.4	D72 C79 Q80 V87	D72-D76 PolarHBondContact O-N 2.87Å; D76-C79 PolarHBondContact O-N 3.05Å; D76-Q80 WeakPolarHBondContact O-CB 3.44Å; D76-Q80 VanDerWaalsContact O-CG 3.25Å; D76-Q80 WeakPolarHBondContact O-CG 3.45Å; D76-Q80 PolarHBondContact O-N 3.38Å; D76-Q80 PolarHBondContact O-NE2 2.93Å; D76-V87 HydrophobicContact CB-CG2 4.41Å; D76-V87 WeakPolarHBondContact OD1-CG2 3.06Å; D76-V87 PolarHBondContact OD1-N 3.02Å
77	Q	86.4	Confident	83.4	Confident	91 Å²	91	52.4 Å²	52.4	43%	0.425	27%	0.266	S	S	.	.	H	α-helix	trans	-61.9	-48.2	173.5	178.3	60.6	55	0	0	111.3	T73 L74 C79 Q80 D81	T73-Q77 PolarHBondContact O-N 3.16Å; L74-Q77 PolarHBondContact O-N 3.29Å; Q77-C79 PolarHBondContact O-N 2.94Å; Q77-Q80 PolarHBondContact O-N 2.89Å; Q77-D81 PolarHBondContact NE2-OD1 3.28Å; Q77-D81 VanDerWaalsContact NE2-OD1 3.1Å; Q77-D81 PolarHBondContact NE2-OD2 3.46Å; Q77-D81 PolarHBondContact O-N 2.85Å
78	I	85.3	Confident	82.7	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-64	-40	179.1	-69.7	170.5	0	0	0	110.9	W51 L53 L74 A75 D81 L82 F107	W51-I78 HydrophobicContact CD2-CG2 3.86Å; W51-I78 VanDerWaalsContact CE2-CG2 3.46Å; W51-I78 HydrophobicContact CE3-CG2 4.21Å; W51-I78 HydrophobicContact CG-CG2 4.48Å; W51-I78 HydrophobicContact CH2-CB 3.94Å; W51-I78 HydrophobicContact CH2-CD1 3.55Å; W51-I78 HydrophobicContact CH2-CG1 4.31Å; W51-I78 HydrophobicContact CH2-CG2 3.92Å; W51-I78 HydrophobicContact CZ2-CB 3.66Å; W51-I78 HydrophobicContact CZ2-CD1 4.2Å; W51-I78 HydrophobicContact CZ2-CG2 3.5Å; W51-I78 HydrophobicContact CZ3-CD1 3.74Å; W51-I78 HydrophobicContact CZ3-CG2 4.24Å; L53-I78 HydrophobicContact CD1-CD1 4.16Å; L74-I78 HydrophobicContact CD1-CD1 3.95Å; L74-I78 HydrophobicContact CD1-CG1 4.22Å; L74-I78 HydrophobicContact CD2-CD1 4.38Å; L74-I78 HydrophobicContact CG-CD1 3.81Å; L74-I78 HydrophobicContact CG-CG1 4.44Å; L74-I78 WeakPolarHBondContact O-CG1 3.28Å; L74-I78 PolarHBondContact O-N 3.42Å; A75-I78 PolarHBondContact O-N 2.04Å; I78-D81 PolarHBondContact O-N 2.9Å; I78-L82 HydrophobicContact CG2-CD1 3.78Å; I78-L82 HydrophobicContact CG2-CG 4.33Å; I78-L82 VanDerWaalsContact O-CB 3.25Å; I78-L82 WeakPolarHBondContact O-CB 3.45Å; I78-L82 WeakPolarHBondContact O-CD1 2.96Å; I78-L82 WeakPolarHBondContact O-CG 3.45Å; I78-L82 PolarHBondContact O-N 3.31Å; I78-F107 HydrophobicContact CB-CE1 4.44Å; I78-F107 HydrophobicContact CD1-CD2 3.94Å; I78-F107 HydrophobicContact CD1-CE2 4.23Å; I78-F107 HydrophobicContact CD1-CG 4.13Å; I78-F107 HydrophobicContact CG1-CB 4.25Å; I78-F107 HydrophobicContact CG1-CD1 3.77Å; I78-F107 HydrophobicContact CG1-CD2 3.99Å; I78-F107 HydrophobicContact CG1-CE1 4.01Å; I78-F107 HydrophobicContact CG1-CE2 4.22Å; I78-F107 HydrophobicContact CG1-CG 3.74Å; I78-F107 HydrophobicContact CG1-CZ 4.23Å; I78-F107 HydrophobicContact CG2-CE1 4.14Å; I78-F107 HydrophobicContact CG2-CE2 4.43Å; I78-F107 HydrophobicContact CG2-CZ 3.97Å
79	C	81.1	Confident	82.4	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.1	-34.3	176.9	-72.7	0	0	0	0	113.9	A75 D76 Q77 K83 C84 G85 V87 C131	A75-C79 WeakPolarHBondContact O-CB 3.37Å; A75-C79 PolarHBondContact O-N 2.94Å; A75-C79 PolarHBondContact O-SG 3.47Å; A75-C79 VanDerWaalsContact O-SG 3.34Å; D76-C79 PolarHBondContact O-N 3.05Å; Q77-C79 PolarHBondContact O-N 2.94Å; C79-K83 PolarHBondContact O-N 2.97Å; C79-C84 PolarHBondContact O-N 2.88Å; C79-C84 VanDerWaalsContact O-N 3.14Å; C79-G85 CarbonylContact C-O 3.6Å; C79-G85 VanDerWaalsContact C-O 3.25Å; C79-G85 WeakPolarHBondContact CB-O 3.07Å; C79-G85 PolarHBondContact O-N 3.44Å; C79-V87 HydrophobicContact CB-CG2 4.45Å; C79-C131 WeakPolarHBondContact CA-SG 3.47Å; C79-C131 HydrophobicContact CB-CB 3.65Å; C79-C131 WeakPolarHBondContact CB-SG 3.31Å; C79-C131 VanDerWaalsContact SG-CA 3.53Å; C79-C131 WeakPolarHBondContact SG-CB 3.31Å; C79-C131 CovalentContact SG-SG 2.03Å; C79-C131 PolarHBondContact SG-SG 3.24Å
80	Q	81.7	Confident	82.4	Confident	119 Å²	119	49.8 Å²	49.8	56%	0.556	25%	0.253	S	S	*	.	H	α-helix	trans	-68.5	-47.3	171.8	-75.5	169.4	70.9	0	0	111.9	D76 Q77 L82 K83	D76-Q80 WeakPolarHBondContact O-CB 3.44Å; D76-Q80 VanDerWaalsContact O-CG 3.25Å; D76-Q80 WeakPolarHBondContact O-CG 3.45Å; D76-Q80 PolarHBondContact O-N 3.38Å; D76-Q80 PolarHBondContact O-NE2 2.93Å; Q77-Q80 PolarHBondContact O-N 2.89Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; Q80-L82 PolarHBondContact O-N 2.79Å; Q80-K83 WeakPolarHBondContact O-CA 3.4Å; Q80-K83 PolarHBondContact O-N 3.21Å
81	D	81.2	Confident	82.2	Confident	61 Å²	61	51.1 Å²	51.1	33%	0.326	26%	0.263	S	S	.	.	H	α-helix	trans	-58.9	-43.9	176.6	-75.1	-33.6	0	0	0	110.9	Q77 I78 K83 F107 W110	Q77-D81 PolarHBondContact NE2-OD1 3.28Å; Q77-D81 VanDerWaalsContact NE2-OD1 3.1Å; Q77-D81 PolarHBondContact NE2-OD2 3.46Å; Q77-D81 PolarHBondContact O-N 2.85Å; I78-D81 PolarHBondContact O-N 2.9Å; D81-K83 PolarHBondContact O-N 2.94Å; D81-K83 VanDerWaalsContact O-N 3.12Å; D81-F107 HydrophobicContact CB-CE1 4.33Å; D81-W110 HydrophobicContact CB-CZ3 4.39Å; D81-W110 WeakPolarHBondContact O-CH2 3.45Å; D81-W110 VanDerWaalsContact O-CZ3 3.32Å; D81-W110 WeakPolarHBondContact O-CZ3 3.38Å
82	L	77.5	Confident	82.2	Confident	10 Å²	10	55.1 Å²	55.1	5%	0.052	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.7	174.3	-77.6	169.7	0	0	0	113.6	V42 W51 I78 Q80 C84 W110	V42-L82 HydrophobicContact CG1-CD2 3.83Å; V42-L82 HydrophobicContact CG2-CD2 4.25Å; W51-L82 HydrophobicContact CG-CD1 4.22Å; I78-L82 HydrophobicContact CG2-CD1 3.78Å; I78-L82 HydrophobicContact CG2-CG 4.33Å; I78-L82 VanDerWaalsContact O-CB 3.25Å; I78-L82 WeakPolarHBondContact O-CB 3.45Å; I78-L82 WeakPolarHBondContact O-CD1 2.96Å; I78-L82 WeakPolarHBondContact O-CG 3.45Å; I78-L82 PolarHBondContact O-N 3.31Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; Q80-L82 PolarHBondContact O-N 2.79Å; L82-C84 HydrophobicContact CB-CB 4.11Å; L82-C84 PolarHBondContact O-N 2.96Å; L82-C84 VanDerWaalsContact O-N 3.16Å; L82-C84 PolarHBondContact O-SG 3.49Å; L82-W110 VanDerWaalsContact CA-CZ3 3.47Å; L82-W110 HydrophobicContact CB-CZ3 4.33Å; L82-W110 HydrophobicContact CD2-CE3 3.74Å; L82-W110 HydrophobicContact CD2-CH2 4.45Å; L82-W110 HydrophobicContact CD2-CZ3 3.7Å; L82-W110 HydrophobicContact CG-CE3 4.36Å; L82-W110 HydrophobicContact CG-CZ3 4.05Å
83	K	74.7	Confident	82.3	Confident	174 Å²	174	55.1 Å²	55.1	76%	0.757	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	17.7	-171.9	-53	174.5	-171.8	171.6	0	113.1	C79 Q80 D81	C79-K83 PolarHBondContact O-N 2.97Å; Q80-K83 WeakPolarHBondContact O-CA 3.4Å; Q80-K83 PolarHBondContact O-N 3.21Å; D81-K83 PolarHBondContact O-N 2.94Å; D81-K83 VanDerWaalsContact O-N 3.12Å
84	C	74.7	Confident	82.2	Confident	10 Å²	10	56.5 Å²	56.5	7%	0.068	29%	0.291	C	S	.	.	S	Bend	trans	-95.2	4.4	-178.4	-57.8	0	0	0	0	112.9	C49 C79 L82 C131 G132 H133	C49-C84 HydrophobicContact CB-CB 3.4Å; C49-C84 WeakPolarHBondContact CB-SG 3.33Å; C49-C84 WeakPolarHBondContact SG-CB 3.27Å; C49-C84 CovalentContact SG-SG 2.01Å; C49-C84 PolarHBondContact SG-SG 3.39Å; C79-C84 PolarHBondContact O-N 2.88Å; C79-C84 VanDerWaalsContact O-N 3.14Å; L82-C84 HydrophobicContact CB-CB 4.11Å; L82-C84 PolarHBondContact O-N 2.96Å; L82-C84 VanDerWaalsContact O-N 3.16Å; L82-C84 PolarHBondContact O-SG 3.49Å; C84-C131 HydrophobicContact CB-CB 3.61Å; C84-C131 CarbonylContact O-C 3.55Å; C84-G132 CarbonylContact O-C 3.56Å; C84-G132 WeakPolarHBondContact O-CA 3.24Å; C84-G132 PolarHBondContact O-N 3.4Å; C84-H133 PolarHBondContact O-N 3.46Å
85	G	72.7	Confident	82	Confident	4 Å²	4	57.5 Å²	57.5	4%	0.041	30%	0.298	C	S	.	.			trans	109.6	-147.5	163.8	0	0	0	0	0	114.7	C79 H133	C79-G85 CarbonylContact C-O 3.6Å; C79-G85 VanDerWaalsContact C-O 3.25Å; C79-G85 WeakPolarHBondContact CB-O 3.07Å; C79-G85 PolarHBondContact O-N 3.44Å; G85-H133 VanDerWaalsContact CA-CD2 3.47Å; G85-H133 WeakPolarHBondContact CA-CD2 3.24Å; G85-H133 VanDerWaalsContact CA-CG 3.44Å; G85-H133 WeakPolarHBondContact CA-ND1 3.46Å
86	K	79.2	Confident	81.6	Confident	116 Å²	116	61.6 Å²	61.6	50%	0.504	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	163	170.2	-66.5	-177.3	177.7	-179.5	0	109.8	H88 G132 D154	K86-H88 PolarHBondContact O-N 2.91Å; K86-G132 PolarHBondContact O-N 3.41Å; K86-D154 IonicContact NZ-OD1 2.82Å; K86-D154 PolarHBondContact NZ-OD1 3.26Å
87	V	82.3	Confident	81	Confident	37 Å²	37	64.1 Å²	64.1	22%	0.224	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	130.3	166.6	172.9	0	0	0	0	110.2	A75 D76 C79 V90	A75-V87 VanDerWaalsContact C-CG2 3.42Å; A75-V87 HydrophobicContact CB-CG2 3.6Å; D76-V87 HydrophobicContact CB-CG2 4.41Å; D76-V87 WeakPolarHBondContact OD1-CG2 3.06Å; D76-V87 PolarHBondContact OD1-N 3.02Å; C79-V87 HydrophobicContact CB-CG2 4.45Å; V87-V90 HydrophobicContact CG1-CG2 3.37Å
88	H	75.9	Confident	80.5	Confident	71 Å²	71	67.5 Å²	67.5	33%	0.329	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-38.6	176.1	179.1	49.7	0	0	0	112	K86 V130 S135	K86-H88 PolarHBondContact O-N 2.91Å; H88-V130 WeakPolarHBondContact CA-O 3.47Å; H88-V130 HydrophobicContact CB-CG1 4.47Å; H88-V130 WeakPolarHBondContact CB-O 3.29Å; H88-V130 PolarHBondContact N-O 2.9Å; H88-S135 PolarHBondContact CD2-OG 3.15Å; H88-S135 PolarHBondContact CE1-OG 3.42Å; H88-S135 VanDerWaalsContact CE1-OG 3.32Å; H88-S135 PolarHBondContact ND1-OG 3.37Å; H88-S135 PolarHBondContact NE2-OG 3.02Å
89	A	80.2	Confident	80.3	Confident	37 Å²	37	70.3 Å²	70.3	31%	0.306	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	147.9	174.5	0	0	0	0	0	111.7	V129 V130	A89-V129 WeakPolarHBondContact O-CA 3.34Å; A89-V130 HydrophobicContact CB-CB 4.3Å; A89-V130 PolarHBondContact N-O 2.82Å; A89-V130 PolarHBondContact O-N 2.89Å
90	V	84.8	Confident	80.5	Confident	33 Å²	33	75.8 Å²	75.8	20%	0.2	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	107	175.6	-172.1	0	0	0	0	108.4	L71 V87 K92 T126 V129	L71-V90 HydrophobicContact CD2-CG1 4.01Å; L71-V90 HydrophobicContact CG-CG1 4.5Å; V87-V90 HydrophobicContact CG1-CG2 3.37Å; V90-K92 HydrophobicContact CB-CG 4.43Å; V90-K92 HydrophobicContact CG1-CD 4.2Å; V90-K92 VanDerWaalsContact CG1-CE 3.42Å; V90-K92 HydrophobicContact CG1-CG 3.73Å; V90-K92 PolarHBondContact O-N 3.46Å; V90-T126 HydrophobicContact CG1-CG2 3.6Å; V90-V129 HydrophobicContact CG1-CG2 4.23Å; V90-V129 HydrophobicContact CG2-CG1 4.36Å
91	N	85.6	Confident	80.9	Confident	74 Å²	74	70.3 Å²	70.3	40%	0.396	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	109.9	176.3	-68.5	-34.8	0	0	0	108.9	T126 T127 E128	N91-T126 WeakPolarHBondContact O-CA 3.43Å; N91-T127 VanDerWaalsContact CB-OG1 3.31Å; N91-T127 WeakPolarHBondContact CB-OG1 3.44Å; N91-T127 PolarHBondContact O-N 2.82Å; N91-T127 PolarHBondContact O-OG1 2.85Å; N91-E128 HydrophobicContact CB-CB 4.14Å; N91-E128 PolarHBondContact N-O 3.31Å; N91-E128 PolarHBondContact ND2-OE2 3.19Å
92	K	88.1	Confident	81.2	Confident	86 Å²	86	69.9 Å²	69.9	37%	0.374	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.4	-172.3	-60.8	172	174.1	-166.9	0	109.9	L71 D72 V90 I124	L71-K92 HydrophobicContact CD2-CD 4.31Å; L71-K92 HydrophobicContact CD2-CG 4.18Å; D72-K92 VanDerWaalsContact OD1-CE 3.31Å; D72-K92 WeakPolarHBondContact OD1-CE 3.31Å; D72-K92 IonicContact OD1-NZ 3.51Å; D72-K92 PolarHBondContact OD1-NZ 3.37Å; D72-K92 IonicContact OD2-NZ 3.62Å; D72-K92 PolarHBondContact OD2-NZ 2.96Å; V90-K92 HydrophobicContact CB-CG 4.43Å; V90-K92 HydrophobicContact CG1-CD 4.2Å; V90-K92 VanDerWaalsContact CG1-CE 3.42Å; V90-K92 HydrophobicContact CG1-CG 3.73Å; V90-K92 PolarHBondContact O-N 3.46Å; K92-I124 HydrophobicContact CB-CD1 4.33Å; K92-I124 HydrophobicContact CD-CD1 3.6Å; K92-I124 HydrophobicContact CG-CD1 3.97Å
93	T	88.4	Confident	81.8	Confident	66 Å²	66	72.2 Å²	72.2	41%	0.405	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	160.1	169	53.9	0	0	0	0	111.2	V125 T127	T93-V125 PolarHBondContact N-O 2.87Å; T93-V125 VanDerWaalsContact O-CG2 3.27Å; T93-V125 WeakPolarHBondContact O-CG2 3.3Å; T93-V125 PolarHBondContact O-N 3.44Å; T93-V125 WeakPolarHBondContact OG1-CG2 3.18Å; T93-T127 HydrophobicContact CG2-CG2 3.82Å
94	T	85.8	Confident	82.4	Confident	124 Å²	124	69.7 Å²	69.7	76%	0.761	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-76.5	135.5	174.7	40.6	0	0	0	0	110.7
95	P	83.4	Confident	83	Confident	31 Å²	31	69.9 Å²	69.9	20%	0.201	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-72.4	153.9	175.7	30.9	-35	0	0	0	111.1	P65 M99 C123 V125	P65-P95 HydrophobicContact CB-CB 4.37Å; P65-P95 HydrophobicContact CB-CG 4.49Å; P65-P95 HydrophobicContact CG-CB 4.39Å; P95-M99 HydrophobicContact CB-CB 4.01Å; P95-M99 HydrophobicContact CB-CG 4.38Å; P95-M99 HydrophobicContact CB-SD 3.68Å; P95-C123 WeakPolarHBondContact CD-O 3.42Å; P95-C123 WeakPolarHBondContact CG-O 3.34Å; P95-V125 HydrophobicContact CB-CG1 4.22Å; P95-V125 HydrophobicContact CB-CG2 4.4Å
96	P	80.3	Confident	83.5	Confident	85 Å²	85	73.3 Å²	73.3	55%	0.552	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-55.5	148.3	168.8	-26.7	35.4	0	0	0	112.8	M99	P96-M99 WeakPolarHBondContact O-CB 3.38Å; P96-M99 PolarHBondContact O-N 3.33Å
97	P	72.5	Confident	83.5	Confident	116 Å²	116	69.1 Å²	69.1	75%	0.753	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	142.9	176.7	25.3	-34.3	0	0	0	111.4	M99	P97-M99 VanDerWaalsContact C-N 3.32Å
98	N	75.4	Confident	83.3	Confident	162 Å²	162	74.6 Å²	74.6	87%	0.866	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	5.2	-172.8	-39.6	-71.5	0	0	0	116.3
99	M	81.3	Confident	83.2	Confident	61 Å²	61	76.3 Å²	76.3	30%	0.3	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-63	148.8	162.5	-95.1	-164.9	151.8	0	0	111.2	E62 P65 P95 P96 P97	E62-M99 HydrophobicContact CG-CE 3.62Å; E62-M99 WeakPolarHBondContact OE1-CE 3.43Å; P65-M99 HydrophobicContact CG-CB 4.15Å; P65-M99 HydrophobicContact CG-CE 4.47Å; P65-M99 HydrophobicContact CG-CG 4.36Å; P65-M99 HydrophobicContact CG-SD 3.59Å; P65-M99 VanDerWaalsContact CG-SD 3.59Å; P95-M99 HydrophobicContact CB-CB 4.01Å; P95-M99 HydrophobicContact CB-CG 4.38Å; P95-M99 HydrophobicContact CB-SD 3.68Å; P96-M99 WeakPolarHBondContact O-CB 3.38Å; P96-M99 PolarHBondContact O-N 3.33Å; P97-M99 VanDerWaalsContact C-N 3.32Å
100	K	85.3	Confident	82.8	Confident	115 Å²	115	80.3 Å²	80.3	50%	0.5	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-95.5	147.5	177.6	-56.3	-167.2	179.4	-177.7	0	110.9	P65 Y102 Q117	P65-K100 WeakPolarHBondContact CB-O 3.39Å; P65-K100 VanDerWaalsContact CG-O 3.28Å; P65-K100 WeakPolarHBondContact CG-O 3.37Å; K100-Y102 HydrophobicContact CB-CE2 4.03Å; K100-Y102 WeakPolarHBondContact O-CD2 3.47Å; K100-Y102 VanDerWaalsContact O-CE2 3.24Å; K100-Y102 WeakPolarHBondContact O-CE2 3.34Å; K100-Q117 HydrophobicContact CB-CG 4.21Å; K100-Q117 HydrophobicContact CD-CG 4.02Å
101	C	88.9	Confident	82.2	Confident	4 Å²	4	82.4 Å²	82.4	3%	0.027	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	151.9	178.8	-162.5	0	0	0	0	112.3	Q117 V118 M120 C123	C101-Q117 CarbonylContact O-C 3.58Å; C101-Q117 WeakPolarHBondContact O-CA 3.04Å; C101-V118 HydrophobicContact CB-CG2 4.15Å; C101-V118 PolarHBondContact O-N 2.91Å; C101-M120 HydrophobicContact CB-CG 3.95Å; C101-C123 HydrophobicContact CB-CB 3.8Å; C101-C123 WeakPolarHBondContact CB-SG 3.15Å; C101-C123 WeakPolarHBondContact SG-CB 3.48Å; C101-C123 CovalentContact SG-SG 2.02Å; C101-C123 PolarHBondContact SG-SG 3.47Å
102	Y	88.9	Confident	81.8	Confident	52 Å²	52	79.4 Å²	79.4	20%	0.204	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	147.6	-174.9	-63.1	-92.8	0	0	0	112.3	V64 P65 L66 P67 K100 C115 L116 Q117	V64-Y102 HydrophobicContact CG1-CD2 4.26Å; V64-Y102 HydrophobicContact CG1-CG 4.42Å; P65-Y102 PolarHBondContact O-N 2.95Å; L66-Y102 WeakPolarHBondContact CD2-O 3.28Å; P67-Y102 WeakPolarHBondContact CD-O 3.41Å; K100-Y102 HydrophobicContact CB-CE2 4.03Å; K100-Y102 WeakPolarHBondContact O-CD2 3.47Å; K100-Y102 VanDerWaalsContact O-CE2 3.24Å; K100-Y102 WeakPolarHBondContact O-CE2 3.34Å; Y102-C115 HydrophobicContact CD1-CB 4.02Å; Y102-C115 HydrophobicContact CG-CB 4.29Å; Y102-L116 CarbonylContact C-O 3.41Å; Y102-L116 VanDerWaalsContact CA-O 3.28Å; Y102-L116 WeakPolarHBondContact CA-O 3.08Å; Y102-Q117 HydrophobicContact CD1-CB 4.31Å; Y102-Q117 HydrophobicContact CE1-CB 4.11Å; Y102-Q117 HydrophobicContact CE1-CG 4.38Å
103	Q	89.8	Confident	81.3	Confident	58 Å²	58	79.8 Å²	79.8	27%	0.271	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	-178.8	171.6	66.6	170.1	8	0	0	111	P67 Y70 C105 L116 V118	P67-Q103 HydrophobicContact CG-CB 4.32Å; Y70-Q103 HydrophobicContact CD1-CB 4.01Å; Y70-Q103 HydrophobicContact CE1-CB 4.34Å; Y70-Q103 HydrophobicContact CG-CB 4.22Å; Q103-C105 PolarHBondContact O-N 3.48Å; Q103-C105 VanDerWaalsContact O-N 3.16Å; Q103-L116 PolarHBondContact N-O 2.93Å; Q103-L116 PolarHBondContact O-N 2.79Å; Q103-V118 HydrophobicContact CB-CG2 4.43Å; Q103-V118 HydrophobicContact CG-CG1 3.66Å; Q103-V118 HydrophobicContact CG-CG2 4.11Å
104	Q	87.9	Confident	80.9	Confident	121 Å²	121	83 Å²	83	57%	0.565	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.3	42	175.8	-62.3	179.4	7.7	0	0	112.2	Y70 L116	Y70-Q104 VanDerWaalsContact CZ-N 3.35Å; Q104-L116 HydrophobicContact CB-CD1 4.19Å
105	C	85.7	Confident	80.9	Confident	15 Å²	15	78.1 Å²	78.1	10%	0.101	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	134.1	174.7	-68.1	0	0	0	0	111.2	Y70 L74 Q103 L112 K114 C115	Y70-C105 HydrophobicContact CE1-CB 4.32Å; Y70-C105 WeakPolarHBondContact OH-CB 3.33Å; Y70-C105 PolarHBondContact OH-N 3.31Å; Y70-C105 PolarHBondContact OH-O 3.49Å; L74-C105 HydrophobicContact CD2-CB 4.03Å; Q103-C105 PolarHBondContact O-N 3.48Å; Q103-C105 VanDerWaalsContact O-N 3.16Å; C105-L112 HydrophobicContact CB-CD1 3.73Å; C105-K114 CarbonylContact C-O 3.57Å; C105-K114 VanDerWaalsContact CA-O 3.24Å; C105-K114 WeakPolarHBondContact CA-O 3.37Å; C105-C115 HydrophobicContact CB-CB 4.08Å; C105-C115 WeakPolarHBondContact CB-SG 3.4Å; C105-C115 WeakPolarHBondContact SG-CB 3.35Å; C105-C115 CovalentContact SG-SG 2.04Å; C105-C115 PolarHBondContact SG-SG 3.47Å
106	L	84.8	Confident	81.2	Confident	76 Å²	76	81.3 Å²	81.3	40%	0.398	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	104.9	167.4	179.3	63.7	0	0	0	108.5	Q113 K114	L106-Q113 HydrophobicContact CB-CB 4.4Å; L106-Q113 HydrophobicContact CD2-CB 4.24Å; L106-Q113 HydrophobicContact CG-CB 4.27Å; L106-Q113 HydrophobicContact CG-CG 4.47Å; L106-Q113 WeakPolarHBondContact O-CB 3.29Å; L106-Q113 PolarHBondContact O-N 3.41Å; L106-K114 HydrophobicContact CB-CG 3.79Å; L106-K114 HydrophobicContact CD2-CG 4.43Å; L106-K114 PolarHBondContact N-O 3.39Å
107	F	78.9	Confident	81.6	Confident	27 Å²	27	81.7 Å²	81.7	12%	0.118	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133.8	163.8	-170.3	-106.4	0	0	0	108.9	I78 D81 W110	I78-F107 HydrophobicContact CB-CE1 4.44Å; I78-F107 HydrophobicContact CD1-CD2 3.94Å; I78-F107 HydrophobicContact CD1-CE2 4.23Å; I78-F107 HydrophobicContact CD1-CG 4.13Å; I78-F107 HydrophobicContact CG1-CB 4.25Å; I78-F107 HydrophobicContact CG1-CD1 3.77Å; I78-F107 HydrophobicContact CG1-CD2 3.99Å; I78-F107 HydrophobicContact CG1-CE1 4.01Å; I78-F107 HydrophobicContact CG1-CE2 4.22Å; I78-F107 HydrophobicContact CG1-CG 3.74Å; I78-F107 HydrophobicContact CG1-CZ 4.23Å; I78-F107 HydrophobicContact CG2-CE1 4.14Å; I78-F107 HydrophobicContact CG2-CE2 4.43Å; I78-F107 HydrophobicContact CG2-CZ 3.97Å; D81-F107 HydrophobicContact CB-CE1 4.33Å; F107-W110 HydrophobicContact CE1-CE3 4.39Å; F107-W110 WeakPolarHBondContact CE2-O 3.33Å; F107-W110 VanDerWaalsContact CZ-C 3.49Å; F107-W110 VanDerWaalsContact CZ-O 3.3Å; F107-W110 WeakPolarHBondContact CZ-O 3.28Å
108	R	76.7	Confident	82.3	Confident	153 Å²	153	77.7 Å²	77.7	58%	0.577	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-163.6	141.3	177.7	-162.8	-166.6	151.7	132.5	7.4	110.8	W110 R111 Q113	R108-W110 VanDerWaalsContact C-N 3.3Å; R108-W110 PolarHBondContact O-N 2.97Å; R108-R111 PolarHBondContact N-O 3.03Å; R108-R111 PolarHBondContact O-N 3.4Å; R108-Q113 HydrophobicContact CB-CG 3.99Å; R108-Q113 PolarHBondContact O-NE2 3Å
109	D	74.6	Confident	82.7	Confident	106 Å²	106	78.9 Å²	78.9	57%	0.567	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	50.1	175.5	-53.1	-42.6	0	0	0	110.7	R111	D109-R111 PolarHBondContact O-N 2.96Å
110	W	71.1	Confident	82.7	Confident	121 Å²	121	80.4 Å²	80.4	46%	0.458	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	-4.7	-173.3	-48.2	127.7	0	0	0	117.4	P40 D81 L82 F107 R108	P40-W110 WeakPolarHBondContact CD-O 3.43Å; P40-W110 WeakPolarHBondContact CG-O 3.33Å; D81-W110 HydrophobicContact CB-CZ3 4.39Å; D81-W110 WeakPolarHBondContact O-CH2 3.45Å; D81-W110 VanDerWaalsContact O-CZ3 3.32Å; D81-W110 WeakPolarHBondContact O-CZ3 3.38Å; L82-W110 VanDerWaalsContact CA-CZ3 3.47Å; L82-W110 HydrophobicContact CB-CZ3 4.33Å; L82-W110 HydrophobicContact CD2-CE3 3.74Å; L82-W110 HydrophobicContact CD2-CH2 4.45Å; L82-W110 HydrophobicContact CD2-CZ3 3.7Å; L82-W110 HydrophobicContact CG-CE3 4.36Å; L82-W110 HydrophobicContact CG-CZ3 4.05Å; F107-W110 HydrophobicContact CE1-CE3 4.39Å; F107-W110 WeakPolarHBondContact CE2-O 3.33Å; F107-W110 VanDerWaalsContact CZ-C 3.49Å; F107-W110 VanDerWaalsContact CZ-O 3.3Å; F107-W110 WeakPolarHBondContact CZ-O 3.28Å; R108-W110 VanDerWaalsContact C-N 3.3Å; R108-W110 PolarHBondContact O-N 2.97Å
111	R	72.6	Confident	82.2	Confident	78 Å²	78	79.1 Å²	79.1	29%	0.294	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.4	-170.6	-68.3	173.3	-170.1	-162	-1.2	112.7	D37 D39 R108 D109 Q113	D37-R111 IonicContact OD1-CZ 3.56Å; D37-R111 IonicContact OD1-NH1 3.64Å; D37-R111 IonicContact OD1-NH2 2.68Å; D37-R111 PolarHBondContact OD1-NH2 3.46Å; D39-R111 VanDerWaalsContact CG-NE 3.29Å; D39-R111 WeakPolarHBondContact OD1-CD 3.34Å; D39-R111 WeakPolarHBondContact OD1-CG 3.2Å; D39-R111 IonicContact OD1-CZ 3.51Å; D39-R111 IonicContact OD1-NE 2.74Å; D39-R111 PolarHBondContact OD1-NE 3.35Å; D39-R111 IonicContact OD1-NH2 3.5Å; D39-R111 IonicContact OD2-CZ 3.5Å; D39-R111 IonicContact OD2-NE 3.47Å; D39-R111 PolarHBondContact OD2-NE 2.97Å; D39-R111 IonicContact OD2-NH2 2.7Å; D39-R111 PolarHBondContact OD2-NH2 3.4Å; R108-R111 PolarHBondContact N-O 3.03Å; R108-R111 PolarHBondContact O-N 3.4Å; D109-R111 PolarHBondContact O-N 2.96Å; R111-Q113 PolarHBondContact O-N 2.92Å
112	L	76.9	Confident	82	Confident	10 Å²	10	85.5 Å²	85.5	5%	0.052	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	107.2	168.9	-171.5	68.3	0	0	0	109	L53 M55 V64 C105	L53-L112 HydrophobicContact CD1-CD1 4.15Å; L53-L112 HydrophobicContact CD1-CD2 3.98Å; L53-L112 HydrophobicContact CD1-CG 4.45Å; L53-L112 HydrophobicContact CG-CD2 4.16Å; M55-L112 HydrophobicContact SD-CD2 4.29Å; V64-L112 HydrophobicContact CG2-CD2 3.67Å; C105-L112 HydrophobicContact CB-CD1 3.73Å
113	Q	78.5	Confident	82	Confident	94 Å²	94	83.5 Å²	83.5	44%	0.439	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-41.9	-170	-59.2	-66.9	-26.3	0	0	112.7	L106 R108 R111	L106-Q113 HydrophobicContact CB-CB 4.4Å; L106-Q113 HydrophobicContact CD2-CB 4.24Å; L106-Q113 HydrophobicContact CG-CB 4.27Å; L106-Q113 HydrophobicContact CG-CG 4.47Å; L106-Q113 WeakPolarHBondContact O-CB 3.29Å; L106-Q113 PolarHBondContact O-N 3.41Å; R108-Q113 HydrophobicContact CB-CG 3.99Å; R108-Q113 PolarHBondContact O-NE2 3Å; R111-Q113 PolarHBondContact O-N 2.92Å
114	K	80.6	Confident	82	Confident	135 Å²	135	82 Å²	82	59%	0.587	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-164.7	156.1	-178.6	56.9	174.4	-176.2	178.6	0	110.2	C105 L106	C105-K114 CarbonylContact C-O 3.57Å; C105-K114 VanDerWaalsContact CA-O 3.24Å; C105-K114 WeakPolarHBondContact CA-O 3.37Å; L106-K114 HydrophobicContact CB-CG 3.79Å; L106-K114 HydrophobicContact CD2-CG 4.43Å; L106-K114 PolarHBondContact N-O 3.39Å
115	C	85.8	Confident	81.9	Confident	21 Å²	21	76.8 Å²	76.8	14%	0.142	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	161.6	165.8	-55	0	0	0	0	109.7	Y102 C105	Y102-C115 HydrophobicContact CD1-CB 4.02Å; Y102-C115 HydrophobicContact CG-CB 4.29Å; C105-C115 HydrophobicContact CB-CB 4.08Å; C105-C115 WeakPolarHBondContact CB-SG 3.4Å; C105-C115 WeakPolarHBondContact SG-CB 3.35Å; C105-C115 CovalentContact SG-SG 2.04Å; C105-C115 PolarHBondContact SG-SG 3.47Å
116	L	88.6	Confident	81.8	Confident	98 Å²	98	76.3 Å²	76.3	51%	0.513	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.7	176.6	-68.3	174.1	0	0	0	110.5	Y102 Q103 Q104	Y102-L116 CarbonylContact C-O 3.41Å; Y102-L116 VanDerWaalsContact CA-O 3.28Å; Y102-L116 WeakPolarHBondContact CA-O 3.08Å; Q103-L116 PolarHBondContact N-O 2.93Å; Q103-L116 PolarHBondContact O-N 2.79Å; Q104-L116 HydrophobicContact CB-CD1 4.19Å
117	Q	88.9	Confident	81.7	Confident	92 Å²	92	76.3 Å²	76.3	43%	0.43	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	140.6	177.9	-165.7	-155.2	-77.8	0	0	110.7	K100 C101 Y102	K100-Q117 HydrophobicContact CB-CG 4.21Å; K100-Q117 HydrophobicContact CD-CG 4.02Å; C101-Q117 CarbonylContact O-C 3.58Å; C101-Q117 WeakPolarHBondContact O-CA 3.04Å; Y102-Q117 HydrophobicContact CD1-CB 4.31Å; Y102-Q117 HydrophobicContact CE1-CB 4.11Å; Y102-Q117 HydrophobicContact CE1-CG 4.38Å
118	V	87.5	Confident	81.9	Confident	32 Å²	32	76.9 Å²	76.9	19%	0.194	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.1	173.8	-81.9	0	0	0	0	112.3	C101 Q103 M120	C101-V118 HydrophobicContact CB-CG2 4.15Å; C101-V118 PolarHBondContact O-N 2.91Å; Q103-V118 HydrophobicContact CB-CG2 4.43Å; Q103-V118 HydrophobicContact CG-CG1 3.66Å; Q103-V118 HydrophobicContact CG-CG2 4.11Å; V118-M120 HydrophobicContact CG2-CG 4.09Å; V118-M120 HydrophobicContact CG2-SD 4.4Å
119	E	83.9	Confident	82.3	Confident	187 Å²	187	69.6 Å²	69.6	87%	0.874	35%	0.354	S	S	*	.			trans	-95	95	177	-63.7	-173.7	170.9	0	0	109.6
120	M	79.9	Confident	82.7	Confident	93 Å²	93	65.5 Å²	65.5	46%	0.458	33%	0.333	S	S	.	.			trans	-153.8	155.6	173	49.2	161.2	60.6	0	0	109.8	P67 C101 V118 C123	P67-M120 HydrophobicContact CB-CE 4.14Å; P67-M120 HydrophobicContact CB-SD 3.74Å; P67-M120 HydrophobicContact CG-CE 4.07Å; P67-M120 HydrophobicContact CG-SD 3.63Å; C101-M120 HydrophobicContact CB-CG 3.95Å; V118-M120 HydrophobicContact CG2-CG 4.09Å; V118-M120 HydrophobicContact CG2-SD 4.4Å; M120-C123 VanDerWaalsContact CG-SG 3.54Å; M120-C123 PolarHBondContact SD-SG 2.65Å
121	A	75.7	Confident	83.3	Confident	89 Å²	89	59.8 Å²	59.8	74%	0.736	31%	0.311	S	S	*	.	S	Bend	trans	-93.9	-40	-173.4	0	0	0	0	0	113.7	C123	A121-C123 PolarHBondContact O-N 3.45Å
122	D	85.1	Confident	83.2	Confident	138 Å²	138	56.3 Å²	56.3	74%	0.738	30%	0.299	S	S	*	.			trans	-86.6	48.1	-164.2	-54.1	-59.1	0	0	0	113.6	P68	P68-D122 WeakPolarHBondContact CD-O 3.34Å
123	C	88.5	Confident	82.3	Confident	9 Å²	9	59.6 Å²	59.6	6%	0.061	31%	0.314	C	S	.	.			trans	-93.8	154.3	-176.6	-63.3	0	0	0	0	113.1	P65 L66 P95 C101 M120 A121	P65-C123 HydrophobicContact CB-CB 4.29Å; L66-C123 WeakPolarHBondContact O-CA 3.32Å; P95-C123 WeakPolarHBondContact CD-O 3.42Å; P95-C123 WeakPolarHBondContact CG-O 3.34Å; C101-C123 HydrophobicContact CB-CB 3.8Å; C101-C123 WeakPolarHBondContact CB-SG 3.15Å; C101-C123 WeakPolarHBondContact SG-CB 3.48Å; C101-C123 CovalentContact SG-SG 2.02Å; C101-C123 PolarHBondContact SG-SG 3.47Å; M120-C123 VanDerWaalsContact CG-SG 3.54Å; M120-C123 PolarHBondContact SD-SG 2.65Å; A121-C123 PolarHBondContact O-N 3.45Å
124	I	89.3	Confident	81.7	Confident	28 Å²	28	57.4 Å²	57.4	14%	0.144	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.7	-175.6	52.2	168.7	0	0	0	110.9	P65 L66 P68 L71 K92	P65-I124 WeakPolarHBondContact CA-O 3.24Å; L66-I124 PolarHBondContact N-O 3.49Å; L66-I124 PolarHBondContact O-N 2.83Å; P68-I124 HydrophobicContact CB-CD1 4.1Å; P68-I124 HydrophobicContact CG-CD1 4.15Å; P68-I124 HydrophobicContact CG-CG1 4.22Å; L71-I124 HydrophobicContact CD2-CD1 3.51Å; L71-I124 HydrophobicContact CD2-CG1 4.05Å; K92-I124 HydrophobicContact CB-CD1 4.33Å; K92-I124 HydrophobicContact CD-CD1 3.6Å; K92-I124 HydrophobicContact CG-CD1 3.97Å
125	V	87.3	Confident	81.6	Confident	10 Å²	10	51.3 Å²	51.3	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	142.5	172.7	-78.5	0	0	0	0	109.4	A63 P65 T93 P95	A63-V125 HydrophobicContact CB-CB 4.08Å; A63-V125 HydrophobicContact CB-CG1 3.97Å; P65-V125 HydrophobicContact CB-CG1 3.91Å; P65-V125 HydrophobicContact CG-CG1 3.73Å; T93-V125 PolarHBondContact N-O 2.87Å; T93-V125 VanDerWaalsContact O-CG2 3.27Å; T93-V125 WeakPolarHBondContact O-CG2 3.3Å; T93-V125 PolarHBondContact O-N 3.44Å; T93-V125 WeakPolarHBondContact OG1-CG2 3.18Å; P95-V125 HydrophobicContact CB-CG1 4.22Å; P95-V125 HydrophobicContact CB-CG2 4.4Å
126	T	83.7	Confident	81.8	Confident	5 Å²	5	51 Å²	51	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	130.4	169.1	42.3	0	0	0	0	110.6	L71 V90 N91 V129	L71-T126 HydrophobicContact CD1-CG2 3.52Å; L71-T126 HydrophobicContact CD2-CG2 3.59Å; L71-T126 HydrophobicContact CG-CG2 4.16Å; V90-T126 HydrophobicContact CG1-CG2 3.6Å; N91-T126 WeakPolarHBondContact O-CA 3.43Å; T126-V129 HydrophobicContact CG2-CG2 3.92Å
127	T	81.4	Confident	81.8	Confident	76 Å²	76	50.1 Å²	50.1	47%	0.466	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-31.2	164.7	54.9	0	0	0	0	110.8	T52 N91 T93	T52-T127 VanDerWaalsContact CG2-O 3.24Å; T52-T127 WeakPolarHBondContact CG2-O 3.43Å; N91-T127 VanDerWaalsContact CB-OG1 3.31Å; N91-T127 WeakPolarHBondContact CB-OG1 3.44Å; N91-T127 PolarHBondContact O-N 2.82Å; N91-T127 PolarHBondContact O-OG1 2.85Å; T93-T127 HydrophobicContact CG2-CG2 3.82Å
128	E	83.8	Confident	82	Confident	40 Å²	40	47 Å²	47	19%	0.187	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	143.8	-178.2	176.6	167.7	-84.2	0	0	111.5	R50 N91 V130	R50-E128 WeakPolarHBondContact CD-OE1 3.14Å; R50-E128 HydrophobicContact CG-CG 3.86Å; R50-E128 WeakPolarHBondContact CG-OE1 3.34Å; R50-E128 IonicContact CZ-OE1 2.99Å; R50-E128 IonicContact CZ-OE2 3.44Å; R50-E128 IonicContact NE-OE1 2.66Å; R50-E128 IonicContact NH1-OE1 3.24Å; R50-E128 PolarHBondContact NH1-OE1 2.81Å; R50-E128 IonicContact NH1-OE2 2.65Å; R50-E128 PolarHBondContact NH1-OE2 2.02Å; N91-E128 HydrophobicContact CB-CB 4.14Å; N91-E128 PolarHBondContact N-O 3.31Å; N91-E128 PolarHBondContact ND2-OE2 3.19Å; E128-V130 HydrophobicContact CG-CG2 4.25Å
129	V	84.7	Confident	82.1	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.6	165.7	-175.9	0	0	0	0	108.4	R50 W51 A75 A89 V90 T126	R50-V129 CarbonylContact C-O 3.52Å; R50-V129 WeakPolarHBondContact CA-O 3.34Å; W51-V129 HydrophobicContact CD2-CB 3.86Å; W51-V129 HydrophobicContact CD2-CG1 4.45Å; W51-V129 HydrophobicContact CD2-CG2 4.32Å; W51-V129 HydrophobicContact CE3-CB 4.29Å; W51-V129 HydrophobicContact CE3-CG2 4.25Å; W51-V129 HydrophobicContact CG-CB 4.37Å; W51-V129 HydrophobicContact CH2-CB 4.11Å; W51-V129 HydrophobicContact CH2-CG1 4.27Å; W51-V129 HydrophobicContact CH2-CG2 3.76Å; W51-V129 HydrophobicContact CZ2-CB 3.66Å; W51-V129 HydrophobicContact CZ2-CG1 3.5Å; W51-V129 HydrophobicContact CZ2-CG2 3.83Å; W51-V129 HydrophobicContact CZ3-CB 4.4Å; W51-V129 HydrophobicContact CZ3-CG2 3.98Å; W51-V129 PolarHBondContact N-O 3.24Å; W51-V129 PolarHBondContact O-N 3.44Å; A75-V129 HydrophobicContact CB-CG1 4.31Å; A89-V129 WeakPolarHBondContact O-CA 3.34Å; V90-V129 HydrophobicContact CG1-CG2 4.23Å; V90-V129 HydrophobicContact CG2-CG1 4.36Å; T126-V129 HydrophobicContact CG2-CG2 3.92Å
130	V	83.5	Confident	81.7	Confident	20 Å²	20	41.6 Å²	41.6	12%	0.121	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.5	173.4	-176.6	0	0	0	0	108.5	H88 A89 E128	H88-V130 WeakPolarHBondContact CA-O 3.47Å; H88-V130 HydrophobicContact CB-CG1 4.47Å; H88-V130 WeakPolarHBondContact CB-O 3.29Å; H88-V130 PolarHBondContact N-O 2.9Å; A89-V130 HydrophobicContact CB-CB 4.3Å; A89-V130 PolarHBondContact N-O 2.82Å; A89-V130 PolarHBondContact O-N 2.89Å; E128-V130 HydrophobicContact CG-CG2 4.25Å
131	C	82.3	Confident	81.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	142.5	164.5	-48.1	0	0	0	0	109.8	T48 C49 W51 C79 C84	T48-C131 WeakPolarHBondContact CA-O 3.24Å; C49-C131 HydrophobicContact CB-CB 4.34Å; C49-C131 PolarHBondContact N-O 2.99Å; C49-C131 PolarHBondContact O-N 2.72Å; W51-C131 VanDerWaalsContact CD1-SG 3.59Å; W51-C131 PolarHBondContact NE1-SG 3.34Å; C79-C131 WeakPolarHBondContact CA-SG 3.47Å; C79-C131 HydrophobicContact CB-CB 3.65Å; C79-C131 WeakPolarHBondContact CB-SG 3.31Å; C79-C131 VanDerWaalsContact SG-CA 3.53Å; C79-C131 WeakPolarHBondContact SG-CB 3.31Å; C79-C131 CovalentContact SG-SG 2.03Å; C79-C131 PolarHBondContact SG-SG 3.24Å; C84-C131 HydrophobicContact CB-CB 3.61Å; C84-C131 CarbonylContact O-C 3.55Å
132	G	71.6	Confident	80.8	Confident	5 Å²	5	46.6 Å²	46.6	5%	0.052	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	122.7	167.7	0	0	0	0	0	111.6	C84 K86 Q134	C84-G132 CarbonylContact O-C 3.56Å; C84-G132 WeakPolarHBondContact O-CA 3.24Å; C84-G132 PolarHBondContact O-N 3.4Å; K86-G132 PolarHBondContact O-N 3.41Å; G132-Q134 PolarHBondContact O-N 3.47Å; G132-Q134 VanDerWaalsContact O-N 3.14Å
133	H	57.8	Low	79.8	Confident	80 Å²	80	40.9 Å²	40.9	37%	0.37	21%	0.211	S	C	.	.	S	Bend	trans	-70.6	105.9	150.1	-92.8	140.2	0	0	0	106.2	C84 G85 N212	C84-H133 PolarHBondContact O-N 3.46Å; G85-H133 VanDerWaalsContact CA-CD2 3.47Å; G85-H133 WeakPolarHBondContact CA-CD2 3.24Å; G85-H133 VanDerWaalsContact CA-CG 3.44Å; G85-H133 WeakPolarHBondContact CA-ND1 3.46Å; H133-N212 PolarHBondContact O-ND2 2.04Å
134	Q	66.6	Low	79.1	Confident	47 Å²	47	48.8 Å²	48.8	22%	0.22	25%	0.247	C	C	.	.	S	Bend	trans	60.7	69	156	-49.5	149.8	-70.8	0	0	112.3	G132 W152 N212 W214	G132-Q134 PolarHBondContact O-N 3.47Å; G132-Q134 VanDerWaalsContact O-N 3.14Å; Q134-W152 WeakPolarHBondContact CA-O 3.42Å; Q134-N212 PolarHBondContact O-ND2 2.97Å; Q134-W214 HydrophobicContact CB-CB 4.03Å; Q134-W214 HydrophobicContact CB-CD2 3.55Å; Q134-W214 HydrophobicContact CB-CE3 4.36Å; Q134-W214 HydrophobicContact CB-CG 3.38Å; Q134-W214 HydrophobicContact CB-CZ2 4.24Å; Q134-W214 HydrophobicContact CG-CB 4.45Å; Q134-W214 HydrophobicContact CG-CD2 3.93Å; Q134-W214 HydrophobicContact CG-CE3 4.24Å; Q134-W214 HydrophobicContact CG-CG 4.05Å; Q134-W214 PolarHBondContact O-NE1 3.35Å
135	S	78.8	Confident	79.1	Confident	7 Å²	7	48.4 Å²	48.4	5%	0.049	25%	0.247	C	C	.	.			trans	-55.2	152.1	179	-55.5	0	0	0	0	112.3	H88 V151 W152	H88-S135 PolarHBondContact CD2-OG 3.15Å; H88-S135 PolarHBondContact CE1-OG 3.42Å; H88-S135 VanDerWaalsContact CE1-OG 3.32Å; H88-S135 PolarHBondContact ND1-OG 3.37Å; H88-S135 PolarHBondContact NE2-OG 3.02Å; S135-V151 CarbonylContact O-C 3.11Å; S135-V151 VanDerWaalsContact O-CA 3.3Å; S135-V151 WeakPolarHBondContact O-CA 3.47Å; S135-W152 PolarHBondContact O-N 3.32Å
136	V	88.6	Confident	79.4	Confident	16 Å²	16	48 Å²	48	10%	0.097	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.9	172.1	179	0	0	0	0	108.5	V149 E150 V151 V173 L177 L213	V136-V149 HydrophobicContact CG1-CG1 3.95Å; V136-E150 CarbonylContact C-O 3.52Å; V136-E150 WeakPolarHBondContact CA-O 3.35Å; V136-V151 HydrophobicContact CG2-CG1 4.02Å; V136-V173 HydrophobicContact CG1-CG1 4.03Å; V136-V173 HydrophobicContact CG1-CG2 4.47Å; V136-L177 HydrophobicContact CB-CD2 4.39Å; V136-L177 HydrophobicContact CG1-CD1 4.41Å; V136-L177 HydrophobicContact CG1-CD2 4.45Å; V136-L177 WeakPolarHBondContact O-CD2 3.46Å; V136-L213 HydrophobicContact CG2-CB 4.3Å
137	R	89.8	Confident	79.9	Confident	79 Å²	79	47.8 Å²	47.8	30%	0.298	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	165.3	168.5	71.2	-179.2	-178	152.4	4.3	111.3	E139 E150 W157	R137-E139 HydrophobicContact CG-CG 4.36Å; R137-E139 IonicContact CZ-OE1 3.87Å; R137-E139 IonicContact NE-OE1 3.53Å; R137-E139 IonicContact NH1-OE1 3.04Å; R137-E139 PolarHBondContact NH1-OE1 3.09Å; R137-E139 IonicContact NH2-OE1 3.11Å; R137-E139 PolarHBondContact NH2-OE1 3.4Å; R137-E150 HydrophobicContact CG-CB 3.75Å; R137-E150 IonicContact CZ-OE2 3.9Å; R137-E150 PolarHBondContact N-O 2.96Å; R137-E150 IonicContact NE-OE2 2.99Å; R137-E150 PolarHBondContact NE-OE2 3.33Å; R137-E150 IonicContact NH2-OE2 2.66Å; R137-E150 PolarHBondContact NH2-OE2 3.39Å; R137-E150 PolarHBondContact O-N 3.31Å; R137-W157 HydrophobicContact CB-CH2 3.91Å; R137-W157 HydrophobicContact CB-CZ3 4.03Å; R137-W157 HydrophobicContact CG-CD2 4.36Å; R137-W157 HydrophobicContact CG-CE3 3.86Å; R137-W157 HydrophobicContact CG-CH2 3.81Å; R137-W157 HydrophobicContact CG-CZ2 4.3Å; R137-W157 HydrophobicContact CG-CZ3 3.57Å
138	L	91.8	Very high	80.5	Confident	26 Å²	26	45.4 Å²	45.4	14%	0.136	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.5	171.1	-60.1	-179.6	0	0	0	109.9	R148 V149 V173 L177 V233	L138-R148 WeakPolarHBondContact CA-O 3.4Å; L138-V149 HydrophobicContact CD2-CG2 3.89Å; L138-V173 HydrophobicContact CD2-CG1 4.14Å; L138-L177 HydrophobicContact CD1-CD1 3.76Å; L138-L177 HydrophobicContact CD2-CD1 4.11Å; L138-L177 HydrophobicContact CG-CD1 3.56Å; L138-V233 HydrophobicContact CD1-CG1 4.05Å; L138-V233 HydrophobicContact CD2-CG1 3.44Å; L138-V233 VanDerWaalsContact CD2-CG1 3.44Å; L138-V233 HydrophobicContact CG-CG1 4.42Å
139	E	90.1	Very high	81.1	Confident	66 Å²	66	43.5 Å²	43.5	31%	0.308	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.3	-178.4	-78.8	-71.8	-178.2	0	0	111.7	R137 G147 R148	R137-E139 HydrophobicContact CG-CG 4.36Å; R137-E139 IonicContact CZ-OE1 3.87Å; R137-E139 IonicContact NE-OE1 3.53Å; R137-E139 IonicContact NH1-OE1 3.04Å; R137-E139 PolarHBondContact NH1-OE1 3.09Å; R137-E139 IonicContact NH2-OE1 3.11Å; R137-E139 PolarHBondContact NH2-OE1 3.4Å; E139-G147 CarbonylContact O-C 3.58Å; E139-G147 VanDerWaalsContact O-CA 3.26Å; E139-G147 WeakPolarHBondContact O-CA 3.33Å; E139-R148 PolarHBondContact N-O 2.95Å; E139-R148 PolarHBondContact O-N 3.18Å
140	G	75.5	Confident	81.6	Confident	39 Å²	39	44 Å²	44	40%	0.402	22%	0.219	S	C	.	.	S	Bend	trans	103.2	4.1	172	0	0	0	0	0	117.8
141	H	70.7	Confident	82	Confident	99 Å²	99	43 Å²	43	46%	0.458	21%	0.213	S	C	.	.	S	Bend	trans	-137.1	155.7	165.9	-152.2	-93.8	0	0	0	110.1	D143 A146	H141-D143 IonicContact CE1-OD2 3.56Å; H141-D143 PolarHBondContact CE1-OD2 2.93Å; H141-D143 PolarHBondContact ND1-N 3.23Å; H141-D143 IonicContact ND1-OD2 2.64Å; H141-D143 PolarHBondContact ND1-OD2 3.19Å; H141-D143 PolarHBondContact O-N 3.05Å; H141-D143 VanDerWaalsContact O-N 3.17Å; H141-A146 WeakPolarHBondContact CB-O 3.33Å
142	E	65.3	Low	82	Confident	189 Å²	189	46.1 Å²	46.1	88%	0.883	23%	0.225	S	C	*	.	S	Bend	trans	-69.9	-6	174.1	-64.2	-169.1	153.4	0	0	113.1
143	D	65.1	Low	82.5	Confident	18 Å²	18	47.3 Å²	47.3	10%	0.096	23%	0.229	C	C	.	.	S	Bend	trans	-102.3	117.3	178.1	-69.8	-51.1	0	0	0	111.3	H141 C145 A146 K239 A240	H141-D143 IonicContact CE1-OD2 3.56Å; H141-D143 PolarHBondContact CE1-OD2 2.93Å; H141-D143 PolarHBondContact ND1-N 3.23Å; H141-D143 IonicContact ND1-OD2 2.64Å; H141-D143 PolarHBondContact ND1-OD2 3.19Å; H141-D143 PolarHBondContact O-N 3.05Å; H141-D143 VanDerWaalsContact O-N 3.17Å; D143-C145 PolarHBondContact O-N 3.31Å; D143-A146 PolarHBondContact O-N 3.46Å; D143-A146 VanDerWaalsContact O-N 3.11Å; D143-K239 VanDerWaalsContact OD1-CB 3.28Å; D143-K239 WeakPolarHBondContact OD1-CB 3.21Å; D143-K239 WeakPolarHBondContact OD1-CD 3.48Å; D143-K239 WeakPolarHBondContact OD1-CG 3.36Å; D143-K239 IonicContact OD1-NZ 2.83Å; D143-K239 PolarHBondContact OD1-NZ 3.17Å; D143-K239 WeakPolarHBondContact OD2-CB 3.37Å; D143-A240 PolarHBondContact OD2-N 3.49Å
144	Q	72.6	Confident	83.4	Confident	175 Å²	175	49.2 Å²	49.2	82%	0.818	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	2.6	-175.6	-61.9	169.1	2.8	0	0	115.4
145	C	90.5	Very high	83.6	Confident	20 Å²	20	49.5 Å²	49.5	14%	0.135	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	13.5	-178	-66.1	0	0	0	0	114	D143 C179 C235	D143-C145 PolarHBondContact O-N 3.31Å; C145-C179 WeakPolarHBondContact CA-SG 3.18Å; C145-C179 HydrophobicContact CB-CB 3.57Å; C145-C179 WeakPolarHBondContact CB-SG 3.36Å; C145-C179 WeakPolarHBondContact SG-CB 3.41Å; C145-C179 CovalentContact SG-SG 2.04Å; C145-C179 PolarHBondContact SG-SG 2.76Å; C145-C235 HydrophobicContact CB-CB 4.33Å; C145-C235 WeakPolarHBondContact O-CB 3.48Å; C145-C235 PolarHBondContact O-N 2.67Å
146	A	93	Very high	83.8	Confident	2 Å²	2	53.3 Å²	53.3	2%	0.017	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	127.2	168.6	0	0	0	0	0	110.9	H141 D143 F192 V233 V234	H141-A146 WeakPolarHBondContact CB-O 3.33Å; D143-A146 PolarHBondContact O-N 3.46Å; D143-A146 VanDerWaalsContact O-N 3.11Å; A146-F192 HydrophobicContact CB-CE1 4.33Å; A146-F192 HydrophobicContact CB-CZ 4.1Å; A146-V233 WeakPolarHBondContact CA-O 3.45Å; A146-V234 HydrophobicContact CB-CG1 4.34Å; A146-V234 HydrophobicContact CB-CG2 4.38Å
147	G	94.3	Very high	83.8	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176	176.2	-179.6	0	0	0	0	0	114.5	E139 F192 G232 V233	E139-G147 CarbonylContact O-C 3.58Å; E139-G147 VanDerWaalsContact O-CA 3.26Å; E139-G147 WeakPolarHBondContact O-CA 3.33Å; G147-F192 VanDerWaalsContact C-CE2 3.45Å; G147-F192 WeakPolarHBondContact O-CD2 3.48Å; G147-F192 WeakPolarHBondContact O-CE2 3Å; G147-G232 CarbonylContact O-C 3.52Å; G147-G232 WeakPolarHBondContact O-CA 3.2Å; G147-V233 PolarHBondContact N-O 3Å; G147-V233 PolarHBondContact O-N 3.35Å
148	R	95	Very high	84	Confident	25 Å²	25	51.3 Å²	51.3	9%	0.094	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	135.7	160.5	178.2	-179.6	65.5	-104.9	0.8	108.5	L138 E139 E150 T159 F192 P193 P194 D230 A231	L138-R148 WeakPolarHBondContact CA-O 3.4Å; E139-R148 PolarHBondContact N-O 2.95Å; E139-R148 PolarHBondContact O-N 3.18Å; R148-E150 IonicContact CZ-OE1 3.13Å; R148-E150 VanDerWaalsContact CZ-OE1 3.24Å; R148-E150 IonicContact NE-OE1 2.72Å; R148-E150 PolarHBondContact NE-OE1 3.38Å; R148-E150 IonicContact NH2-OE1 3.38Å; R148-E150 PolarHBondContact NH2-OE1 2.97Å; R148-T159 HydrophobicContact CG-CG2 4.43Å; R148-F192 HydrophobicContact CB-CB 4.18Å; R148-P193 PolarHBondContact NH1-O 3.42Å; R148-P194 PolarHBondContact NH1-O 2.88Å; R148-D230 HydrophobicContact CG-CB 4.05Å; R148-A231 CarbonylContact C-O 3.25Å; R148-A231 WeakPolarHBondContact CA-O 3.09Å
149	V	95.6	Very high	84.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	123.5	176.1	-178.6	0	0	0	0	109.1	V136 L138 V151 V160 W165 V173 L213 A231 V233	V136-V149 HydrophobicContact CG1-CG1 3.95Å; L138-V149 HydrophobicContact CD2-CG2 3.89Å; V149-V151 HydrophobicContact CG1-CG1 4.32Å; V149-V160 HydrophobicContact CB-CG2 4.35Å; V149-V160 HydrophobicContact CG1-CG2 3.85Å; V149-W165 HydrophobicContact CB-CH2 4.42Å; V149-W165 HydrophobicContact CB-CZ2 4.47Å; V149-W165 HydrophobicContact CG1-CH2 4.33Å; V149-W165 HydrophobicContact CG2-CH2 3.96Å; V149-W165 HydrophobicContact CG2-CZ2 3.66Å; V149-V173 HydrophobicContact CG1-CG2 4.29Å; V149-V173 HydrophobicContact CG2-CG1 4.35Å; V149-V173 HydrophobicContact CG2-CG2 4.44Å; V149-L213 HydrophobicContact CG1-CD2 4.11Å; V149-A231 PolarHBondContact N-O 3.25Å; V149-V233 HydrophobicContact CG2-CB 4.43Å; V149-V233 HydrophobicContact CG2-CG1 3.85Å
150	E	94.5	Very high	84.5	Confident	10 Å²	10	47 Å²	47	5%	0.047	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	148.5	169.8	-78.4	-177.2	-161.3	0	0	110.9	V136 R137 R148 W157 G158 T159	V136-E150 CarbonylContact C-O 3.52Å; V136-E150 WeakPolarHBondContact CA-O 3.35Å; R137-E150 HydrophobicContact CG-CB 3.75Å; R137-E150 IonicContact CZ-OE2 3.9Å; R137-E150 PolarHBondContact N-O 2.96Å; R137-E150 IonicContact NE-OE2 2.99Å; R137-E150 PolarHBondContact NE-OE2 3.33Å; R137-E150 IonicContact NH2-OE2 2.66Å; R137-E150 PolarHBondContact NH2-OE2 3.39Å; R137-E150 PolarHBondContact O-N 3.31Å; R148-E150 IonicContact CZ-OE1 3.13Å; R148-E150 VanDerWaalsContact CZ-OE1 3.24Å; R148-E150 IonicContact NE-OE1 2.72Å; R148-E150 PolarHBondContact NE-OE1 3.38Å; R148-E150 IonicContact NH2-OE1 3.38Å; R148-E150 PolarHBondContact NH2-OE1 2.97Å; E150-W157 HydrophobicContact CB-CE3 4.1Å; E150-G158 CarbonylContact C-O 3.56Å; E150-G158 WeakPolarHBondContact CA-O 3.45Å; E150-T159 HydrophobicContact CG-CG2 3.88Å
151	V	91.7	Very high	85.5	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.5	-173	-65.4	0	0	0	0	111.6	S135 V136 V149 W157 G158 V160 H200 L201 L213 W214	S135-V151 CarbonylContact O-C 3.11Å; S135-V151 VanDerWaalsContact O-CA 3.3Å; S135-V151 WeakPolarHBondContact O-CA 3.47Å; V136-V151 HydrophobicContact CG2-CG1 4.02Å; V149-V151 HydrophobicContact CG1-CG1 4.32Å; V151-W157 WeakPolarHBondContact O-CA 3.37Å; V151-G158 PolarHBondContact N-O 2.9Å; V151-G158 PolarHBondContact O-N 3.39Å; V151-V160 HydrophobicContact CG1-CG2 3.74Å; V151-V160 HydrophobicContact CG2-CG2 3.98Å; V151-H200 HydrophobicContact CG2-CB 3.6Å; V151-H200 PolarHBondContact O-CD2 2.83Å; V151-L201 HydrophobicContact CG1-CD1 4.25Å; V151-L201 HydrophobicContact CG2-CD1 4.38Å; V151-L201 HydrophobicContact CG2-CG 4.4Å; V151-L213 HydrophobicContact CG1-CD2 4.22Å; V151-W214 HydrophobicContact CB-CZ2 3.59Å; V151-W214 HydrophobicContact CG1-CZ2 4.49Å; V151-W214 HydrophobicContact CG2-CH2 4.32Å; V151-W214 HydrophobicContact CG2-CZ2 3.47Å; V151-W214 VanDerWaalsContact CG2-CZ2 3.47Å
152	W	84.2	Confident	86.7	Confident	65 Å²	65	42.2 Å²	42.2	25%	0.246	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	124.2	-177.5	-176.1	-104.4	0	0	0	111.5	Q134 S135 G155 N156 W157	Q134-W152 WeakPolarHBondContact CA-O 3.42Å; S135-W152 PolarHBondContact O-N 3.32Å; W152-G155 WeakPolarHBondContact CH2-O 3.49Å; W152-G155 VanDerWaalsContact CZ2-C 3.47Å; W152-N156 VanDerWaalsContact CZ3-C 3.48Å; W152-W157 HydrophobicContact CB-CD2 4.45Å; W152-W157 HydrophobicContact CB-CE3 4.11Å; W152-W157 HydrophobicContact CB-CH2 4.17Å; W152-W157 HydrophobicContact CB-CZ3 3.96Å; W152-W157 HydrophobicContact CE3-CB 4.38Å; W152-W157 AromaticContact CE3-CD1 3.58Å; W152-W157 AromaticContact CE3-CD2 3.74Å; W152-W157 HydrophobicContact CE3-CD2 3.74Å; W152-W157 AromaticContact CE3-CE2 3.67Å; W152-W157 HydrophobicContact CE3-CE3 4.49Å; W152-W157 AromaticContact CE3-CG 3.67Å; W152-W157 HydrophobicContact CE3-CG 3.67Å; W152-W157 HydrophobicContact CE3-CZ2 4.37Å; W152-W157 AromaticContact CE3-NE1 3.57Å; W152-W157 AromaticContact CZ3-CD1 3.52Å; W152-W157 HydrophobicContact CZ3-CD2 4.45Å; W152-W157 HydrophobicContact CZ3-CG 4.01Å; W152-W157 AromaticContact CZ3-NE1 3.66Å
153	K	81.2	Confident	88.1	Confident	30 Å²	30	37.1 Å²	37.1	13%	0.13	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	129.3	176.7	-163.9	-166.2	179.9	-173.7	0	109.3	G155 N156 H200 W214 Q220 E221	K153-G155 PolarHBondContact O-N 2.95Å; K153-N156 PolarHBondContact N-O 2.9Å; K153-N156 PolarHBondContact O-N 3.49Å; K153-N156 VanDerWaalsContact O-O 3.06Å; K153-H200 WeakPolarHBondContact CB-NE2 3.47Å; K153-H200 HydrophobicContact CD-CB 4.42Å; K153-H200 WeakPolarHBondContact CD-ND1 3.48Å; K153-W214 HydrophobicContact CB-CH2 3.79Å; K153-W214 HydrophobicContact CB-CZ2 4.2Å; K153-W214 HydrophobicContact CD-CH2 3.92Å; K153-W214 HydrophobicContact CD-CZ3 4.41Å; K153-W214 HydrophobicContact CG-CH2 3.81Å; K153-W214 HydrophobicContact CG-CZ3 4.39Å; K153-Q220 PolarHBondContact NZ-O 3.28Å; K153-E221 VanDerWaalsContact NZ-CD 3.34Å; K153-E221 IonicContact NZ-OE1 3.13Å; K153-E221 PolarHBondContact NZ-OE1 3.47Å; K153-E221 IonicContact NZ-OE2 2.76Å
154	D	76.3	Confident	89.5	Confident	121 Å²	121	42.9 Å²	42.9	65%	0.647	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	40.4	43.5	170.9	-64.3	-54.8	0	0	0	116.9	K86	K86-D154 IonicContact NZ-OD1 2.82Å; K86-D154 PolarHBondContact NZ-OD1 3.26Å
155	G	71.8	Confident	90.6	Very high	53 Å²	53	35.4 Å²	35.4	55%	0.546	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	97	2.9	173.7	0	0	0	0	0	115.6	W152 K153	W152-G155 WeakPolarHBondContact CH2-O 3.49Å; W152-G155 VanDerWaalsContact CZ2-C 3.47Å; K153-G155 PolarHBondContact O-N 2.95Å
156	N	81.7	Confident	90.9	Very high	86 Å²	86	37.1 Å²	37.1	46%	0.46	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	149.6	175.4	-166	25.3	0	0	0	113.6	W152 K153 H200	W152-N156 VanDerWaalsContact CZ3-C 3.48Å; K153-N156 PolarHBondContact N-O 2.9Å; K153-N156 PolarHBondContact O-N 3.49Å; K153-N156 VanDerWaalsContact O-O 3.06Å; N156-H200 PolarHBondContact O-NE2 3.18Å; N156-H200 VanDerWaalsContact O-NE2 3.11Å
157	W	90.4	Very high	91.1	Very high	53 Å²	53	41.3 Å²	41.3	20%	0.201	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	151.2	164.9	-70.9	104.9	0	0	0	110.1	R137 E150 V151 W152 P198	R137-W157 HydrophobicContact CB-CH2 3.91Å; R137-W157 HydrophobicContact CB-CZ3 4.03Å; R137-W157 HydrophobicContact CG-CD2 4.36Å; R137-W157 HydrophobicContact CG-CE3 3.86Å; R137-W157 HydrophobicContact CG-CH2 3.81Å; R137-W157 HydrophobicContact CG-CZ2 4.3Å; R137-W157 HydrophobicContact CG-CZ3 3.57Å; E150-W157 HydrophobicContact CB-CE3 4.1Å; V151-W157 WeakPolarHBondContact O-CA 3.37Å; W152-W157 HydrophobicContact CB-CD2 4.45Å; W152-W157 HydrophobicContact CB-CE3 4.11Å; W152-W157 HydrophobicContact CB-CH2 4.17Å; W152-W157 HydrophobicContact CB-CZ3 3.96Å; W152-W157 HydrophobicContact CE3-CB 4.38Å; W152-W157 AromaticContact CE3-CD1 3.58Å; W152-W157 AromaticContact CE3-CD2 3.74Å; W152-W157 HydrophobicContact CE3-CD2 3.74Å; W152-W157 AromaticContact CE3-CE2 3.67Å; W152-W157 HydrophobicContact CE3-CE3 4.49Å; W152-W157 AromaticContact CE3-CG 3.67Å; W152-W157 HydrophobicContact CE3-CG 3.67Å; W152-W157 HydrophobicContact CE3-CZ2 4.37Å; W152-W157 AromaticContact CE3-NE1 3.57Å; W152-W157 AromaticContact CZ3-CD1 3.52Å; W152-W157 HydrophobicContact CZ3-CD2 4.45Å; W152-W157 HydrophobicContact CZ3-CG 4.01Å; W152-W157 AromaticContact CZ3-NE1 3.66Å; W157-P198 WeakPolarHBondContact O-CD 3.39Å
158	G	93.6	Very high	91.3	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	167.1	172.5	0	0	0	0	0	110.1	E150 V151 P198 H200	E150-G158 CarbonylContact C-O 3.56Å; E150-G158 WeakPolarHBondContact CA-O 3.45Å; V151-G158 PolarHBondContact N-O 2.9Å; V151-G158 PolarHBondContact O-N 3.39Å; G158-P198 CarbonylContact C-O 3.45Å; G158-P198 WeakPolarHBondContact CA-O 3.35Å; G158-H200 WeakPolarHBondContact CA-CD2 3.21Å; G158-H200 PolarHBondContact N-CD2 3.16Å; G158-H200 VanDerWaalsContact N-CD2 3.31Å
159	T	95.6	Very high	91.4	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	176.8	-175.8	55	0	0	0	0	111.8	R148 E150 P198 I199 H200 H227 D230	R148-T159 HydrophobicContact CG-CG2 4.43Å; E150-T159 HydrophobicContact CG-CG2 3.88Å; T159-P198 PolarHBondContact N-O 3.2Å; T159-I199 WeakPolarHBondContact OG1-CG1 3.45Å; T159-H200 PolarHBondContact O-N 2.85Å; T159-H227 PolarHBondContact OG1-CE1 2.85Å; T159-H227 PolarHBondContact OG1-ND1 3.48Å; T159-D230 WeakPolarHBondContact CB-OD1 3.26Å; T159-D230 HydrophobicContact CG2-CB 4.43Å; T159-D230 PolarHBondContact OG1-OD1 3.14Å
160	V	96.5	Very high	91.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.4	177.2	-177.7	0	0	0	0	107.3	V149 V151 W165 L201 L204 L213 A231	V149-V160 HydrophobicContact CB-CG2 4.35Å; V149-V160 HydrophobicContact CG1-CG2 3.85Å; V151-V160 HydrophobicContact CG1-CG2 3.74Å; V151-V160 HydrophobicContact CG2-CG2 3.98Å; V160-W165 HydrophobicContact CG1-CE3 4.02Å; V160-W165 HydrophobicContact CG1-CZ3 3.8Å; V160-L201 WeakPolarHBondContact CA-O 3.47Å; V160-L201 HydrophobicContact CB-CB 4.45Å; V160-L201 HydrophobicContact CG1-CB 3.96Å; V160-L201 HydrophobicContact CG2-CB 4.16Å; V160-L201 HydrophobicContact CG2-CD1 4.4Å; V160-L204 HydrophobicContact CG1-CD1 3.51Å; V160-L213 HydrophobicContact CG2-CD2 4.23Å; V160-A231 HydrophobicContact CB-CB 4.2Å; V160-A231 HydrophobicContact CG1-CB 4.29Å; V160-A231 WeakPolarHBondContact O-CB 3.18Å; V160-A231 PolarHBondContact O-N 2.79Å
161	C	96.4	Very high	91.6	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.007	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-76	151.4	175.7	-173.7	0	0	0	0	112.2	D163 I199 L201 D202 C225 E229	C161-D163 VanDerWaalsContact C-N 3.33Å; C161-I199 HydrophobicContact CB-CG2 4.26Å; C161-L201 PolarHBondContact N-O 3.4Å; C161-D202 HydrophobicContact CB-CB 4.25Å; C161-D202 VanDerWaalsContact CB-OD1 3.31Å; C161-D202 WeakPolarHBondContact CB-OD1 3.25Å; C161-C225 HydrophobicContact CB-CB 3.7Å; C161-C225 WeakPolarHBondContact CB-SG 3.04Å; C161-C225 WeakPolarHBondContact SG-CB 3.39Å; C161-C225 CovalentContact SG-SG 2.03Å; C161-C225 PolarHBondContact SG-SG 3.49Å; C161-E229 CarbonylContact C-O 3.47Å; C161-E229 WeakPolarHBondContact CA-O 3.35Å
162	D	96.1	Very high	91.7	Very high	38 Å²	38	48.3 Å²	48.3	20%	0.203	24%	0.238	C	C	.	.			trans	-82.5	-1.1	176.9	83.5	-64.5	0	0	0	115.2	R164 W165 G187 Q188 E229 A231	D162-R164 PolarHBondContact O-N 3.48Å; D162-W165 HydrophobicContact CB-CB 4.18Å; D162-W165 WeakPolarHBondContact O-CB 3Å; D162-W165 PolarHBondContact O-N 3.27Å; D162-G187 VanDerWaalsContact CB-CA 3.4Å; D162-G187 VanDerWaalsContact CG-CA 3.44Å; D162-G187 WeakPolarHBondContact OD2-CA 3.03Å; D162-Q188 VanDerWaalsContact CG-N 3.29Å; D162-Q188 PolarHBondContact OD1-N 3.33Å; D162-Q188 PolarHBondContact OD2-N 2.86Å; D162-E229 PolarHBondContact N-O 3.38Å; D162-E229 WeakPolarHBondContact OD1-CA 3.41Å; D162-E229 WeakPolarHBondContact OD1-CB 3.49Å; D162-E229 WeakPolarHBondContact OD1-CG 3.32Å; D162-A231 HydrophobicContact CB-CB 4.24Å
163	D	95.2	Very high	92.2	Very high	82 Å²	82	45.2 Å²	45.2	44%	0.439	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	120.9	174	-109.9	19.8	0	0	0	111.1	C161 W165	C161-D163 VanDerWaalsContact C-N 3.33Å; D163-W165 PolarHBondContact O-N 2.95Å
164	R	93.8	Very high	92.8	Very high	139 Å²	139	43.8 Å²	43.8	53%	0.525	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	8.1	-167.5	-58.6	-177.3	-160.5	174.1	14	116.8	D162 D166 E203 L204	D162-R164 PolarHBondContact O-N 3.48Å; R164-D166 PolarHBondContact O-N 3.19Å; R164-D166 VanDerWaalsContact O-N 3.09Å; R164-E203 VanDerWaalsContact CD-OE2 3.28Å; R164-E203 WeakPolarHBondContact CD-OE2 2.98Å; R164-E203 WeakPolarHBondContact CG-OE2 3.17Å; R164-E203 IonicContact CZ-OE1 2.66Å; R164-E203 IonicContact CZ-OE2 3.7Å; R164-E203 IonicContact NE-OE1 2.92Å; R164-E203 IonicContact NE-OE2 2.66Å; R164-E203 PolarHBondContact NE-OE2 2.89Å; R164-E203 VanDerWaalsContact NH2-CD 3.26Å; R164-E203 IonicContact NH2-OE1 3.17Å; R164-E203 PolarHBondContact NH2-OE1 2.88Å; R164-E203 IonicContact NH2-OE2 2.64Å; R164-E203 PolarHBondContact NH2-OE2 2.92Å; R164-E203 VanDerWaalsContact NH2-OE2 3.15Å; R164-L204 WeakPolarHBondContact CB-O 3.19Å
165	W	96.4	Very high	93.4	Very high	17 Å²	17	41.1 Å²	41.1	6%	0.064	22%	0.215	C	C	.	.			trans	-67.6	105	-179	-174.7	-105.2	0	0	0	112.8	V149 V160 D162 D163 E169 V173 V185 L204 L213 A231 G232	V149-W165 HydrophobicContact CB-CH2 4.42Å; V149-W165 HydrophobicContact CB-CZ2 4.47Å; V149-W165 HydrophobicContact CG1-CH2 4.33Å; V149-W165 HydrophobicContact CG2-CH2 3.96Å; V149-W165 HydrophobicContact CG2-CZ2 3.66Å; V160-W165 HydrophobicContact CG1-CE3 4.02Å; V160-W165 HydrophobicContact CG1-CZ3 3.8Å; D162-W165 HydrophobicContact CB-CB 4.18Å; D162-W165 WeakPolarHBondContact O-CB 3Å; D162-W165 PolarHBondContact O-N 3.27Å; D163-W165 PolarHBondContact O-N 2.95Å; W165-E169 HydrophobicContact CD2-CB 4.05Å; W165-E169 HydrophobicContact CE3-CB 3.61Å; W165-E169 HydrophobicContact CE3-CG 4.08Å; W165-E169 HydrophobicContact CH2-CB 4.04Å; W165-E169 HydrophobicContact CZ2-CB 4.45Å; W165-E169 HydrophobicContact CZ3-CB 3.62Å; W165-E169 HydrophobicContact CZ3-CG 4.36Å; W165-V173 HydrophobicContact CH2-CG2 3.77Å; W165-V173 HydrophobicContact CZ2-CG2 4.33Å; W165-V185 HydrophobicContact CG-CG1 4.44Å; W165-L204 HydrophobicContact CE3-CD1 4.08Å; W165-L204 HydrophobicContact CZ3-CD1 3.75Å; W165-L213 HydrophobicContact CH2-CD1 4.04Å; W165-L213 HydrophobicContact CH2-CD2 3.96Å; W165-L213 HydrophobicContact CZ3-CD1 3.86Å; W165-L213 HydrophobicContact CZ3-CD2 3.96Å; W165-A231 HydrophobicContact CB-CB 4.43Å; W165-A231 HydrophobicContact CD2-CB 3.63Å; W165-A231 HydrophobicContact CE3-CB 4.07Å; W165-A231 HydrophobicContact CG-CB 3.75Å; W165-A231 HydrophobicContact CZ2-CB 4.42Å; W165-G232 PolarHBondContact NE1-O 3.38Å
166	D	95.8	Very high	94	Very high	56 Å²	56	40.5 Å²	40.5	30%	0.299	20%	0.198	S	C	.	.			trans	-130.8	-166.9	176.2	83.6	58.6	0	0	0	114.8	R164 R168 E169 A170 V185	R164-D166 PolarHBondContact O-N 3.19Å; R164-D166 VanDerWaalsContact O-N 3.09Å; D166-R168 PolarHBondContact O-N 2.82Å; D166-R168 IonicContact OD1-CZ 3.49Å; D166-R168 PolarHBondContact OD1-N 3.49Å; D166-R168 IonicContact OD1-NH1 3.27Å; D166-R168 PolarHBondContact OD1-NH1 2.95Å; D166-R168 IonicContact OD1-NH2 2.83Å; D166-R168 IonicContact OD2-CZ 3.07Å; D166-R168 IonicContact OD2-NH1 3.41Å; D166-R168 PolarHBondContact OD2-NH1 2.01Å; D166-R168 IonicContact OD2-NH2 3.67Å; D166-R168 PolarHBondContact OD2-NH2 3.24Å; D166-E169 WeakPolarHBondContact CA-OE2 3.47Å; D166-E169 PolarHBondContact N-OE2 2.91Å; D166-E169 PolarHBondContact O-N 2.8Å; D166-A170 PolarHBondContact O-N 3.41Å; D166-V185 VanDerWaalsContact C-CG1 3.48Å; D166-V185 VanDerWaalsContact O-CG1 3.3Å; D166-V185 WeakPolarHBondContact O-CG1 3.19Å
167	L	97.4	Very high	94.2	Very high	90 Å²	90	39 Å²	39	47%	0.471	19%	0.19	S	C	.	.	H	α-helix	trans	-65	-14.6	-174.6	-69.7	174.8	0	0	0	113.5	K171 A182	L167-K171 WeakPolarHBondContact O-CB 3.04Å; L167-K171 PolarHBondContact O-N 2.86Å; L167-A182 HydrophobicContact CD2-CB 4.26Å
168	R	97.9	Very high	94	Very high	82 Å²	82	39.4 Å²	39.4	31%	0.309	21%	0.21	S	C	.	.	H	α-helix	trans	-71.9	-49.2	170.1	-64.9	-176.7	-49.7	-65.3	-24.5	111	D166 K171 V172 C206 G208	D166-R168 PolarHBondContact O-N 2.82Å; D166-R168 IonicContact OD1-CZ 3.49Å; D166-R168 PolarHBondContact OD1-N 3.49Å; D166-R168 IonicContact OD1-NH1 3.27Å; D166-R168 PolarHBondContact OD1-NH1 2.95Å; D166-R168 IonicContact OD1-NH2 2.83Å; D166-R168 IonicContact OD2-CZ 3.07Å; D166-R168 IonicContact OD2-NH1 3.41Å; D166-R168 PolarHBondContact OD2-NH1 2.01Å; D166-R168 IonicContact OD2-NH2 3.67Å; D166-R168 PolarHBondContact OD2-NH2 3.24Å; R168-K171 WeakPolarHBondContact O-CB 3.41Å; R168-K171 PolarHBondContact O-N 2.9Å; R168-V172 PolarHBondContact O-N 3.46Å; R168-C206 HydrophobicContact CB-CB 4.22Å; R168-C206 WeakPolarHBondContact CD-O 3.42Å; R168-C206 PolarHBondContact NE-O 3.35Å; R168-G208 WeakPolarHBondContact O-CA 3.4Å
169	E	97.7	Very high	93.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-47.4	179.6	-62	58.3	-131.9	0	0	109.7	W165 D166 K171 V172 V173 L204 C206 L213	W165-E169 HydrophobicContact CD2-CB 4.05Å; W165-E169 HydrophobicContact CE3-CB 3.61Å; W165-E169 HydrophobicContact CE3-CG 4.08Å; W165-E169 HydrophobicContact CH2-CB 4.04Å; W165-E169 HydrophobicContact CZ2-CB 4.45Å; W165-E169 HydrophobicContact CZ3-CB 3.62Å; W165-E169 HydrophobicContact CZ3-CG 4.36Å; D166-E169 WeakPolarHBondContact CA-OE2 3.47Å; D166-E169 PolarHBondContact N-OE2 2.91Å; D166-E169 PolarHBondContact O-N 2.8Å; E169-K171 VanDerWaalsContact C-N 3.34Å; E169-K171 PolarHBondContact O-N 3.29Å; E169-V172 WeakPolarHBondContact O-CB 2.99Å; E169-V172 PolarHBondContact O-N 2.94Å; E169-V172 VanDerWaalsContact O-N 3.15Å; E169-V173 PolarHBondContact O-N 2.81Å; E169-V173 VanDerWaalsContact O-N 3.11Å; E169-L204 HydrophobicContact CG-CB 3.99Å; E169-C206 HydrophobicContact CG-CB 4.13Å; E169-C206 WeakPolarHBondContact OE1-CB 3.25Å; E169-C206 PolarHBondContact OE1-N 3.01Å; E169-L213 HydrophobicContact CB-CD1 4.34Å
170	A	97	Very high	93.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.4	-34.5	173.7	0	0	0	0	0	113.9	D166 V172 V173 C174 A182 V185 V233	D166-A170 PolarHBondContact O-N 3.41Å; A170-V172 VanDerWaalsContact C-N 3.29Å; A170-V172 PolarHBondContact O-N 2.84Å; A170-V173 PolarHBondContact O-N 3.2Å; A170-C174 PolarHBondContact O-N 2.87Å; A170-C174 PolarHBondContact O-SG 3.43Å; A170-C174 VanDerWaalsContact O-SG 3.33Å; A170-A182 HydrophobicContact CB-CB 3.77Å; A170-V185 HydrophobicContact CB-CG1 3.6Å; A170-V233 HydrophobicContact CB-CB 4.31Å; A170-V233 HydrophobicContact CB-CG2 3.54Å
171	K	96.8	Very high	93.4	Very high	98 Å²	98	45.4 Å²	45.4	43%	0.426	25%	0.253	S	S	.	.	H	α-helix	trans	-62.5	-38.9	174.7	175.8	-176	169.3	-146.5	0	111	L167 R168 E169 A175 A182 G208 N209	L167-K171 WeakPolarHBondContact O-CB 3.04Å; L167-K171 PolarHBondContact O-N 2.86Å; R168-K171 WeakPolarHBondContact O-CB 3.41Å; R168-K171 PolarHBondContact O-N 2.9Å; E169-K171 VanDerWaalsContact C-N 3.34Å; E169-K171 PolarHBondContact O-N 3.29Å; K171-A175 VanDerWaalsContact O-CB 3.25Å; K171-A175 WeakPolarHBondContact O-CB 3.42Å; K171-A175 PolarHBondContact O-N 2.03Å; K171-A175 VanDerWaalsContact O-N 3.09Å; K171-A182 HydrophobicContact CB-CB 4.47Å; K171-G208 WeakPolarHBondContact CD-O 3.47Å; K171-G208 WeakPolarHBondContact CE-O 3.32Å; K171-G208 PolarHBondContact NZ-O 3.29Å; K171-N209 PolarHBondContact NZ-OD1 2.93Å
172	V	95.1	Very high	93.4	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-64.3	-47.4	174.8	179.1	0	0	0	0	110.4	R168 E169 A170 A175 Q176 C206 E210 L213	R168-V172 PolarHBondContact O-N 3.46Å; E169-V172 WeakPolarHBondContact O-CB 2.99Å; E169-V172 PolarHBondContact O-N 2.94Å; E169-V172 VanDerWaalsContact O-N 3.15Å; A170-V172 VanDerWaalsContact C-N 3.29Å; A170-V172 PolarHBondContact O-N 2.84Å; V172-A175 PolarHBondContact O-N 3.08Å; V172-Q176 WeakPolarHBondContact O-CB 3.41Å; V172-Q176 PolarHBondContact O-N 3.47Å; V172-C206 HydrophobicContact CG2-CB 4.25Å; V172-E210 HydrophobicContact CG1-CB 4.14Å; V172-E210 HydrophobicContact CG2-CB 3.96Å; V172-L213 HydrophobicContact CG1-CB 4.44Å; V172-L213 VanDerWaalsContact CG1-N 3.29Å
173	V	94.6	Very high	93.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.5	-50.7	177.8	175.1	0	0	0	0	112.5	V136 L138 V149 W165 E169 A170 A175 Q176 L177 L213 V233	V136-V173 HydrophobicContact CG1-CG1 4.03Å; V136-V173 HydrophobicContact CG1-CG2 4.47Å; L138-V173 HydrophobicContact CD2-CG1 4.14Å; V149-V173 HydrophobicContact CG1-CG2 4.29Å; V149-V173 HydrophobicContact CG2-CG1 4.35Å; V149-V173 HydrophobicContact CG2-CG2 4.44Å; W165-V173 HydrophobicContact CH2-CG2 3.77Å; W165-V173 HydrophobicContact CZ2-CG2 4.33Å; E169-V173 PolarHBondContact O-N 2.81Å; E169-V173 VanDerWaalsContact O-N 3.11Å; A170-V173 PolarHBondContact O-N 3.2Å; V173-A175 VanDerWaalsContact C-N 3.29Å; V173-A175 PolarHBondContact O-N 3.34Å; V173-Q176 PolarHBondContact O-N 3.39Å; V173-L177 HydrophobicContact CG1-CD1 3.64Å; V173-L177 HydrophobicContact CG1-CG 4.32Å; V173-L177 WeakPolarHBondContact O-CB 3.18Å; V173-L177 WeakPolarHBondContact O-CG 3.28Å; V173-L177 PolarHBondContact O-N 2.96Å; V173-L213 HydrophobicContact CG2-CB 4.42Å; V173-L213 HydrophobicContact CG2-CD1 4.04Å; V173-L213 HydrophobicContact CG2-CD2 3.89Å; V173-L213 HydrophobicContact CG2-CG 4.35Å; V173-V233 HydrophobicContact CG1-CG1 3.97Å
174	C	93.4	Very high	93.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-37.1	-179.2	-64.4	0	0	0	0	112.2	A170 G178 C179 A182 V233 C235	A170-C174 PolarHBondContact O-N 2.87Å; A170-C174 PolarHBondContact O-SG 3.43Å; A170-C174 VanDerWaalsContact O-SG 3.33Å; C174-G178 PolarHBondContact O-N 3.38Å; C174-C179 PolarHBondContact O-N 3.22Å; C174-A182 VanDerWaalsContact SG-CA 3.58Å; C174-V233 VanDerWaalsContact SG-CG2 3.56Å; C174-C235 VanDerWaalsContact CA-SG 3.52Å; C174-C235 HydrophobicContact CB-CB 3.8Å; C174-C235 WeakPolarHBondContact CB-SG 3.33Å; C174-C235 WeakPolarHBondContact SG-CB 3.47Å; C174-C235 CovalentContact SG-SG 2.04Å; C174-C235 PolarHBondContact SG-SG 3.24Å
175	A	88	Confident	93.3	Very high	66 Å²	66	44.8 Å²	44.8	55%	0.545	26%	0.257	S	S	.	.	H	α-helix	trans	-70	-43.8	175.1	0	0	0	0	0	112.4	K171 V172 V173 L177 G178	K171-A175 VanDerWaalsContact O-CB 3.25Å; K171-A175 WeakPolarHBondContact O-CB 3.42Å; K171-A175 PolarHBondContact O-N 2.03Å; K171-A175 VanDerWaalsContact O-N 3.09Å; V172-A175 PolarHBondContact O-N 3.08Å; V173-A175 VanDerWaalsContact C-N 3.29Å; V173-A175 PolarHBondContact O-N 3.34Å; A175-L177 VanDerWaalsContact C-N 3.29Å; A175-L177 PolarHBondContact O-N 2.92Å; A175-G178 PolarHBondContact O-N 3.27Å; A175-G178 VanDerWaalsContact O-N 3.16Å
176	Q	85.6	Confident	93.1	Very high	39 Å²	39	44.7 Å²	44.7	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-35.2	178.7	-179.1	178.6	-4.3	0	0	112.4	V172 V173 N212	V172-Q176 WeakPolarHBondContact O-CB 3.41Å; V172-Q176 PolarHBondContact O-N 3.47Å; V173-Q176 PolarHBondContact O-N 3.39Å; Q176-N212 PolarHBondContact NE2-ND2 3.14Å; Q176-N212 VanDerWaalsContact NE2-ND2 3.19Å; Q176-N212 PolarHBondContact NE2-OD1 2.99Å; Q176-N212 VanDerWaalsContact OE1-CA 3.25Å; Q176-N212 PolarHBondContact OE1-OD1 3.42Å
177	L	86.1	Confident	92.7	Very high	56 Å²	56	42.6 Å²	42.6	29%	0.293	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.9	177.1	-63.7	175.2	0	0	0	113.9	V136 L138 V173 A175 C179	V136-L177 HydrophobicContact CB-CD2 4.39Å; V136-L177 HydrophobicContact CG1-CD1 4.41Å; V136-L177 HydrophobicContact CG1-CD2 4.45Å; V136-L177 WeakPolarHBondContact O-CD2 3.46Å; L138-L177 HydrophobicContact CD1-CD1 3.76Å; L138-L177 HydrophobicContact CD2-CD1 4.11Å; L138-L177 HydrophobicContact CG-CD1 3.56Å; V173-L177 HydrophobicContact CG1-CD1 3.64Å; V173-L177 HydrophobicContact CG1-CG 4.32Å; V173-L177 WeakPolarHBondContact O-CB 3.18Å; V173-L177 WeakPolarHBondContact O-CG 3.28Å; V173-L177 PolarHBondContact O-N 2.96Å; A175-L177 VanDerWaalsContact C-N 3.29Å; A175-L177 PolarHBondContact O-N 2.92Å; L177-C179 VanDerWaalsContact C-N 3.27Å; L177-C179 HydrophobicContact CB-CB 4.46Å; L177-C179 PolarHBondContact O-N 3.41Å
178	G	85.9	Confident	92.1	Very high	60 Å²	60	43.6 Å²	43.6	62%	0.619	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	16.9	-176	0	0	0	0	0	114.8	C174 A175 G180	C174-G178 PolarHBondContact O-N 3.38Å; A175-G178 PolarHBondContact O-N 3.27Å; A175-G178 VanDerWaalsContact O-N 3.16Å; G178-G180 VanDerWaalsContact C-N 3.26Å; G178-G180 PolarHBondContact O-N 3.29Å
179	C	88.4	Confident	90.8	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.034	27%	0.268	C	S	.	.			trans	-86.4	22.9	-174.9	-79.6	0	0	0	0	114.5	C145 C174 L177 C235 S236 D237	C145-C179 WeakPolarHBondContact CA-SG 3.18Å; C145-C179 HydrophobicContact CB-CB 3.57Å; C145-C179 WeakPolarHBondContact CB-SG 3.36Å; C145-C179 WeakPolarHBondContact SG-CB 3.41Å; C145-C179 CovalentContact SG-SG 2.04Å; C145-C179 PolarHBondContact SG-SG 2.76Å; C174-C179 PolarHBondContact O-N 3.22Å; L177-C179 VanDerWaalsContact C-N 3.27Å; L177-C179 HydrophobicContact CB-CB 4.46Å; L177-C179 PolarHBondContact O-N 3.41Å; C179-C235 HydrophobicContact CB-CB 3.66Å; C179-C235 WeakPolarHBondContact O-CB 3.38Å; C179-S236 PolarHBondContact O-OG 2.94Å; C179-D237 PolarHBondContact O-N 2.81Å
180	G	90.6	Very high	89.8	Confident	33 Å²	33	47.2 Å²	47.2	34%	0.34	29%	0.286	S	S	.	.			trans	73.7	-135	-176.7	0	0	0	0	0	113.5	G178 S236	G178-G180 VanDerWaalsContact C-N 3.26Å; G178-G180 PolarHBondContact O-N 3.29Å; G180-S236 WeakPolarHBondContact CA-OG 3.46Å
181	T	93.7	Very high	89.2	Confident	90 Å²	90	52.3 Å²	52.3	55%	0.552	31%	0.313	S	S	*	.	S	Bend	trans	-99.6	151.4	-175.4	59	0	0	0	0	112.8	L183 C235 S236	T181-L183 PolarHBondContact O-N 3.17Å; T181-C235 CarbonylContact O-C 3.45Å; T181-C235 VanDerWaalsContact O-CA 3.25Å; T181-C235 WeakPolarHBondContact O-CA 3.18Å; T181-S236 PolarHBondContact N-OG 3.08Å; T181-S236 PolarHBondContact O-N 2.83Å
182	A	95.6	Very high	88.9	Confident	23 Å²	23	49.1 Å²	49.1	19%	0.19	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	127.7	171.3	0	0	0	0	0	111.3	L167 A170 K171 C174	L167-A182 HydrophobicContact CD2-CB 4.26Å; A170-A182 HydrophobicContact CB-CB 3.77Å; K171-A182 HydrophobicContact CB-CB 4.47Å; C174-A182 VanDerWaalsContact SG-CA 3.58Å
183	L	94.6	Very high	88.6	Confident	74 Å²	74	52.4 Å²	52.4	39%	0.387	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-39	173.8	-61.8	-174.4	0	0	0	112.4	T181 V234 F241	T181-L183 PolarHBondContact O-N 3.17Å; L183-V234 WeakPolarHBondContact CB-O 3.13Å; L183-V234 PolarHBondContact N-O 3.43Å; L183-F241 HydrophobicContact CD1-CD1 4.16Å; L183-F241 HydrophobicContact CD1-CD2 4.33Å; L183-F241 HydrophobicContact CD1-CE1 4.48Å; L183-F241 HydrophobicContact CD1-CG 4.08Å
184	R	93.8	Very high	88.5	Confident	107 Å²	107	56.5 Å²	56.5	40%	0.404	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	143.3	-174	177.5	171.8	67.4	174.6	-0	111.8	V233 V234	R184-V233 CarbonylContact O-C 3.53Å; R184-V233 WeakPolarHBondContact O-CA 3.43Å; R184-V234 HydrophobicContact CB-CB 4.26Å; R184-V234 HydrophobicContact CB-CG2 4.48Å; R184-V234 PolarHBondContact N-O 3.37Å; R184-V234 PolarHBondContact O-N 3.16Å
185	V	95.1	Very high	88.5	Confident	43 Å²	43	57.2 Å²	57.2	26%	0.261	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	155.7	164.5	-75.7	0	0	0	0	112.1	W165 D166 A170	W165-V185 HydrophobicContact CG-CG1 4.44Å; D166-V185 VanDerWaalsContact C-CG1 3.48Å; D166-V185 VanDerWaalsContact O-CG1 3.3Å; D166-V185 WeakPolarHBondContact O-CG1 3.19Å; A170-V185 HydrophobicContact CB-CG1 3.6Å
186	T	92.8	Very high	88.7	Confident	14 Å²	14	58.8 Å²	58.8	9%	0.086	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	158.5	171.5	70	0	0	0	0	109.6	L191 F192 G232	T186-L191 HydrophobicContact CG2-CB 4.26Å; T186-L191 HydrophobicContact CG2-CD1 3.45Å; T186-L191 VanDerWaalsContact CG2-CD1 3.45Å; T186-L191 HydrophobicContact CG2-CG 4.49Å; T186-F192 HydrophobicContact CG2-CD2 4.36Å; T186-F192 HydrophobicContact CG2-CE2 3.91Å; T186-F192 WeakPolarHBondContact OG1-CD2 3.41Å; T186-G232 PolarHBondContact N-O 3.4Å; T186-G232 PolarHBondContact O-N 3.32Å; T186-G232 WeakPolarHBondContact OG1-CA 3.5Å; T186-G232 PolarHBondContact OG1-N 3.22Å
187	G	87.2	Confident	89.1	Confident	12 Å²	12	59.4 Å²	59.4	12%	0.124	38%	0.378	C	S	.	.			trans	-163.4	-127.6	-175.1	0	0	0	0	0	111.3	D162 N189 G190	D162-G187 VanDerWaalsContact CB-CA 3.4Å; D162-G187 VanDerWaalsContact CG-CA 3.44Å; D162-G187 WeakPolarHBondContact OD2-CA 3.03Å; G187-N189 PolarHBondContact O-N 3.12Å; G187-N189 VanDerWaalsContact O-N 3.13Å; G187-G190 VanDerWaalsContact O-CA 3.25Å; G187-G190 WeakPolarHBondContact O-CA 3.38Å; G187-G190 PolarHBondContact O-N 3.47Å
188	Q	84.3	Confident	89.4	Confident	111 Å²	111	58.8 Å²	58.8	52%	0.519	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	114.4	-169.1	-157.2	-167.6	71.6	0	0	114.3	D162 G190 K228 E229	D162-Q188 VanDerWaalsContact CG-N 3.29Å; D162-Q188 PolarHBondContact OD1-N 3.33Å; D162-Q188 PolarHBondContact OD2-N 2.86Å; Q188-G190 VanDerWaalsContact C-N 3.31Å; Q188-G190 PolarHBondContact O-N 3.27Å; Q188-K228 VanDerWaalsContact CA-O 3.25Å; Q188-K228 WeakPolarHBondContact CA-O 3.37Å; Q188-E229 HydrophobicContact CB-CG 4.44Å; Q188-E229 HydrophobicContact CG-CG 4.03Å; Q188-E229 PolarHBondContact NE2-OE1 2.92Å
189	N	71.1	Confident	89.9	Confident	121 Å²	121	57.6 Å²	57.6	65%	0.647	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	37.1	-172.2	-44.2	-84.9	0	0	0	114.1	G187 K228	G187-N189 PolarHBondContact O-N 3.12Å; G187-N189 VanDerWaalsContact O-N 3.13Å; N189-K228 PolarHBondContact N-O 2.83Å
190	G	76.2	Confident	90.2	Very high	37 Å²	37	58.1 Å²	58.1	38%	0.381	36%	0.359	S	S	.	.			trans	-74.4	-161.8	-171.9	0	0	0	0	0	116.4	G187 Q188 F192	G187-G190 VanDerWaalsContact O-CA 3.25Å; G187-G190 WeakPolarHBondContact O-CA 3.38Å; G187-G190 PolarHBondContact O-N 3.47Å; Q188-G190 VanDerWaalsContact C-N 3.31Å; Q188-G190 PolarHBondContact O-N 3.27Å; G190-F192 VanDerWaalsContact C-N 3.34Å; G190-F192 PolarHBondContact O-N 3.41Å
191	L	83.9	Confident	90.4	Very high	108 Å²	108	56.7 Å²	56.7	57%	0.565	34%	0.343	S	S	*	.	S	Bend	trans	-79.9	-11.4	-172.9	-71.2	111.7	0	0	0	114.9	T186	T186-L191 HydrophobicContact CG2-CB 4.26Å; T186-L191 HydrophobicContact CG2-CD1 3.45Å; T186-L191 VanDerWaalsContact CG2-CD1 3.45Å; T186-L191 HydrophobicContact CG2-CG 4.49Å
192	F	89.9	Confident	90.5	Very high	30 Å²	30	52.7 Å²	52.7	13%	0.132	32%	0.318	C	S	.	.	S	Bend	trans	-112.4	151.6	-179.5	-52	-65.3	0	0	0	109.6	A146 G147 R148 T186 G190 V234	A146-F192 HydrophobicContact CB-CE1 4.33Å; A146-F192 HydrophobicContact CB-CZ 4.1Å; G147-F192 VanDerWaalsContact C-CE2 3.45Å; G147-F192 WeakPolarHBondContact O-CD2 3.48Å; G147-F192 WeakPolarHBondContact O-CE2 3Å; R148-F192 HydrophobicContact CB-CB 4.18Å; T186-F192 HydrophobicContact CG2-CD2 4.36Å; T186-F192 HydrophobicContact CG2-CE2 3.91Å; T186-F192 WeakPolarHBondContact OG1-CD2 3.41Å; G190-F192 VanDerWaalsContact C-N 3.34Å; G190-F192 PolarHBondContact O-N 3.41Å; F192-V234 HydrophobicContact CZ-CG2 4.04Å
193	P	89.6	Confident	90.5	Very high	72 Å²	72	54.3 Å²	54.3	47%	0.468	32%	0.322	S	S	.	.			trans	-57	149.6	174.3	-23.5	34	0	0	0	111.6	R148	R148-P193 PolarHBondContact NH1-O 3.42Å
194	P	92.2	Very high	90.5	Very high	86 Å²	86	50.9 Å²	50.9	56%	0.558	30%	0.304	S	S	*	.			trans	-60.4	151.1	166.4	29.9	-36.8	0	0	0	110.4	R148 H227	R148-P194 PolarHBondContact NH1-O 2.88Å; P194-H227 HydrophobicContact CB-CB 4.12Å; P194-H227 WeakPolarHBondContact CB-O 3.44Å
195	G	93	Very high	90.6	Very high	15 Å²	15	49.7 Å²	49.7	16%	0.155	31%	0.306	C	S	.	.			trans	-87.1	-160.5	173.9	0	0	0	0	0	112.8	D230	G195-D230 WeakPolarHBondContact CA-OD2 3.36Å; G195-D230 PolarHBondContact N-OD2 2.8Å
196	S	93	Very high	90.6	Very high	98 Å²	98	47.8 Å²	47.8	69%	0.685	29%	0.294	S	S	*	.			trans	-156.5	148.8	174.9	62.2	0	0	0	0	111.7	H227	S196-H227 WeakPolarHBondContact CA-NE2 3.47Å
197	G	93.3	Very high	90.8	Very high	53 Å²	53	51.4 Å²	51.4	55%	0.546	32%	0.316	S	S	.	.	S	Bend	trans	112.4	-140.3	176.3	0	0	0	0	0	112	H227	G197-H227 PolarHBondContact N-NE2 2.91Å; G197-H227 PolarHBondContact O-NE2 3.19Å; G197-H227 VanDerWaalsContact O-NE2 3.13Å
198	P	94.3	Very high	91	Very high	42 Å²	42	51 Å²	51	27%	0.273	31%	0.312	S	S	.	.			trans	-78.9	148.4	175.2	31.6	-31.9	0	0	0	111.7	W157 G158 T159 H200	W157-P198 WeakPolarHBondContact O-CD 3.39Å; G158-P198 CarbonylContact C-O 3.45Å; G158-P198 WeakPolarHBondContact CA-O 3.35Å; T159-P198 PolarHBondContact N-O 3.2Å; P198-H200 WeakPolarHBondContact CG-CE1 3.34Å
199	I	95.2	Very high	91.1	Very high	35 Å²	35	51.4 Å²	51.4	18%	0.179	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	118.2	158.9	-61.6	168.3	0	0	0	105.7	T159 C161 C225	T159-I199 WeakPolarHBondContact OG1-CG1 3.45Å; C161-I199 HydrophobicContact CB-CG2 4.26Å; I199-C225 HydrophobicContact CD1-CB 4Å; I199-C225 WeakPolarHBondContact CD1-O 3.47Å
200	H	94.3	Very high	91.8	Very high	17 Å²	17	47.3 Å²	47.3	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-21.2	-168.1	-83.2	-32.4	0	0	0	113.9	V151 K153 N156 G158 T159 P198 W214 Q220	V151-H200 HydrophobicContact CG2-CB 3.6Å; V151-H200 PolarHBondContact O-CD2 2.83Å; K153-H200 WeakPolarHBondContact CB-NE2 3.47Å; K153-H200 HydrophobicContact CD-CB 4.42Å; K153-H200 WeakPolarHBondContact CD-ND1 3.48Å; N156-H200 PolarHBondContact O-NE2 3.18Å; N156-H200 VanDerWaalsContact O-NE2 3.11Å; G158-H200 WeakPolarHBondContact CA-CD2 3.21Å; G158-H200 PolarHBondContact N-CD2 3.16Å; G158-H200 VanDerWaalsContact N-CD2 3.31Å; T159-H200 PolarHBondContact O-N 2.85Å; P198-H200 WeakPolarHBondContact CG-CE1 3.34Å; H200-W214 HydrophobicContact CB-CH2 3.97Å; H200-W214 HydrophobicContact CB-CZ2 4.29Å; H200-Q220 WeakPolarHBondContact O-CA 3.3Å
201	L	94.9	Very high	91.9	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141.4	-179.4	-72.6	-179.7	0	0	0	110.5	V151 V160 C161 L204 L213 W214 V219 Q220	V151-L201 HydrophobicContact CG1-CD1 4.25Å; V151-L201 HydrophobicContact CG2-CD1 4.38Å; V151-L201 HydrophobicContact CG2-CG 4.4Å; V160-L201 WeakPolarHBondContact CA-O 3.47Å; V160-L201 HydrophobicContact CB-CB 4.45Å; V160-L201 HydrophobicContact CG1-CB 3.96Å; V160-L201 HydrophobicContact CG2-CB 4.16Å; V160-L201 HydrophobicContact CG2-CD1 4.4Å; C161-L201 PolarHBondContact N-O 3.4Å; L201-L204 HydrophobicContact CB-CD1 4.1Å; L201-L204 HydrophobicContact CB-CD2 4.44Å; L201-L204 HydrophobicContact CB-CG 4.42Å; L201-L204 HydrophobicContact CD1-CD1 4.22Å; L201-L204 HydrophobicContact CD1-CD2 4.4Å; L201-L204 HydrophobicContact CD2-CD2 4.38Å; L201-L213 HydrophobicContact CD1-CD2 4.02Å; L201-L213 HydrophobicContact CD1-CG 4.13Å; L201-W214 HydrophobicContact CD1-CD2 3.83Å; L201-W214 HydrophobicContact CD1-CE3 4.18Å; L201-W214 HydrophobicContact CD1-CG 4.25Å; L201-W214 HydrophobicContact CD1-CZ2 4.25Å; L201-W214 HydrophobicContact CD2-CD2 4.09Å; L201-W214 HydrophobicContact CD2-CE3 3.55Å; L201-W214 HydrophobicContact CD2-CH2 4.12Å; L201-W214 HydrophobicContact CD2-CZ3 3.56Å; L201-W214 HydrophobicContact CG-CD2 4.19Å; L201-W214 HydrophobicContact CG-CE3 4.07Å; L201-W214 HydrophobicContact CG-CH2 4.03Å; L201-W214 HydrophobicContact CG-CZ2 4.14Å; L201-W214 HydrophobicContact CG-CZ3 3.98Å; L201-V219 WeakPolarHBondContact CA-O 3.2Å; L201-Q220 HydrophobicContact CD2-CG 3.87Å
202	D	96.2	Very high	91.8	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.032	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-153.9	160.6	-174.3	-169.1	7.8	0	0	0	111.2	C161 L204 V219 S223	C161-D202 HydrophobicContact CB-CB 4.25Å; C161-D202 VanDerWaalsContact CB-OD1 3.31Å; C161-D202 WeakPolarHBondContact CB-OD1 3.25Å; D202-L204 PolarHBondContact O-N 3.03Å; D202-L204 VanDerWaalsContact O-N 3.09Å; D202-V219 HydrophobicContact CB-CB 4.13Å; D202-V219 HydrophobicContact CB-CG1 4.41Å; D202-V219 PolarHBondContact N-O 3.45Å; D202-V219 PolarHBondContact O-N 3.43Å; D202-S223 VanDerWaalsContact CG-OG 3.26Å; D202-S223 WeakPolarHBondContact OD2-CA 3.27Å; D202-S223 WeakPolarHBondContact OD2-CB 3.28Å; D202-S223 PolarHBondContact OD2-OG 2.91Å
203	E	94.9	Very high	91.8	Very high	56 Å²	56	45.7 Å²	45.7	26%	0.262	28%	0.275	S	S	.	.	S	Bend	trans	47.4	38.9	178.6	-77.4	-96.6	-95.6	0	0	113.5	R164 V219	R164-E203 VanDerWaalsContact CD-OE2 3.28Å; R164-E203 WeakPolarHBondContact CD-OE2 2.98Å; R164-E203 WeakPolarHBondContact CG-OE2 3.17Å; R164-E203 IonicContact CZ-OE1 2.66Å; R164-E203 IonicContact CZ-OE2 3.7Å; R164-E203 IonicContact NE-OE1 2.92Å; R164-E203 IonicContact NE-OE2 2.66Å; R164-E203 PolarHBondContact NE-OE2 2.89Å; R164-E203 VanDerWaalsContact NH2-CD 3.26Å; R164-E203 IonicContact NH2-OE1 3.17Å; R164-E203 PolarHBondContact NH2-OE1 2.88Å; R164-E203 IonicContact NH2-OE2 2.64Å; R164-E203 PolarHBondContact NH2-OE2 2.92Å; R164-E203 VanDerWaalsContact NH2-OE2 3.15Å; E203-V219 HydrophobicContact CB-CG2 4.19Å
204	L	95.8	Very high	91.7	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.016	25%	0.254	C	S	.	.			trans	-67.1	139.6	-174.1	-73.4	171.2	0	0	0	111.8	V160 R164 W165 E169 L201 D202 L213 C216	V160-L204 HydrophobicContact CG1-CD1 3.51Å; R164-L204 WeakPolarHBondContact CB-O 3.19Å; W165-L204 HydrophobicContact CE3-CD1 4.08Å; W165-L204 HydrophobicContact CZ3-CD1 3.75Å; E169-L204 HydrophobicContact CG-CB 3.99Å; L201-L204 HydrophobicContact CB-CD1 4.1Å; L201-L204 HydrophobicContact CB-CD2 4.44Å; L201-L204 HydrophobicContact CB-CG 4.42Å; L201-L204 HydrophobicContact CD1-CD1 4.22Å; L201-L204 HydrophobicContact CD1-CD2 4.4Å; L201-L204 HydrophobicContact CD2-CD2 4.38Å; D202-L204 PolarHBondContact O-N 3.03Å; D202-L204 VanDerWaalsContact O-N 3.09Å; L204-L213 HydrophobicContact CD1-CD1 4.03Å; L204-L213 HydrophobicContact CD1-CD2 4.21Å; L204-L213 HydrophobicContact CD1-CG 4.07Å; L204-C216 HydrophobicContact CD2-CB 4.22Å
205	N	95.7	Very high	91.2	Very high	82 Å²	82	44 Å²	44	44%	0.439	25%	0.251	S	S	.	.			trans	-141.6	65.1	-175.4	-175.1	31.5	0	0	0	110.3	P217	N205-P217 PolarHBondContact N-O 3.3Å
206	C	95.7	Very high	91	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.014	25%	0.246	C	C	.	.			trans	-66	150	177.2	-61.9	0	0	0	0	110.9	R168 E169 V172 C216	R168-C206 HydrophobicContact CB-CB 4.22Å; R168-C206 WeakPolarHBondContact CD-O 3.42Å; R168-C206 PolarHBondContact NE-O 3.35Å; E169-C206 HydrophobicContact CG-CB 4.13Å; E169-C206 WeakPolarHBondContact OE1-CB 3.25Å; E169-C206 PolarHBondContact OE1-N 3.01Å; V172-C206 HydrophobicContact CG2-CB 4.25Å; C206-C216 VanDerWaalsContact CA-SG 3.59Å; C206-C216 HydrophobicContact CB-CB 3.92Å; C206-C216 WeakPolarHBondContact CB-SG 3.25Å; C206-C216 WeakPolarHBondContact SG-CB 3.05Å; C206-C216 CovalentContact SG-SG 2.02Å; C206-C216 PolarHBondContact SG-SG 3.26Å
207	T	95.2	Very high	91	Very high	90 Å²	90	42.7 Å²	42.7	55%	0.552	24%	0.238	S	C	*	.			trans	-77.5	-15.2	161.8	69.3	0	0	0	0	112.2	N209 E210	T207-N209 PolarHBondContact O-ND2 3.14Å; T207-N209 PolarHBondContact OG1-N 2.8Å; T207-E210 VanDerWaalsContact CB-OE1 3.28Å; T207-E210 WeakPolarHBondContact CB-OE1 3.5Å; T207-E210 WeakPolarHBondContact CG2-OE1 3.47Å; T207-E210 VanDerWaalsContact N-CD 3.33Å; T207-E210 PolarHBondContact N-OE1 3.33Å; T207-E210 PolarHBondContact N-OE2 2.99Å; T207-E210 VanDerWaalsContact OG1-CD 3.31Å; T207-E210 PolarHBondContact OG1-OE1 2.81Å; T207-E210 PolarHBondContact OG1-OE2 3.2Å
208	G	92.9	Very high	90.9	Very high	3 Å²	3	42 Å²	42	3%	0.031	23%	0.231	C	C	.	.	S	Bend	trans	85.6	15	-175.1	0	0	0	0	0	113	R168 K171 E210	R168-G208 WeakPolarHBondContact O-CA 3.4Å; K171-G208 WeakPolarHBondContact CD-O 3.47Å; K171-G208 WeakPolarHBondContact CE-O 3.32Å; K171-G208 PolarHBondContact NZ-O 3.29Å; G208-E210 WeakPolarHBondContact CA-OE2 3.3Å; G208-E210 PolarHBondContact N-OE2 3.1Å
209	N	85.4	Confident	90.7	Very high	120 Å²	120	42.8 Å²	42.8	64%	0.642	24%	0.235	S	C	*	.			trans	-129.4	7.2	-180	-52.1	-65.3	0	0	0	112.7	K171 T207	K171-N209 PolarHBondContact NZ-OD1 2.93Å; T207-N209 PolarHBondContact O-ND2 3.14Å; T207-N209 PolarHBondContact OG1-N 2.8Å
210	E	86.8	Confident	90.3	Very high	36 Å²	36	44.9 Å²	44.9	17%	0.168	24%	0.244	C	C	.	.			trans	-64.9	148.6	172.8	-63.7	71.6	-158.3	0	0	110.5	V172 T207 G208 N212 F215	V172-E210 HydrophobicContact CG1-CB 4.14Å; V172-E210 HydrophobicContact CG2-CB 3.96Å; T207-E210 VanDerWaalsContact CB-OE1 3.28Å; T207-E210 WeakPolarHBondContact CB-OE1 3.5Å; T207-E210 WeakPolarHBondContact CG2-OE1 3.47Å; T207-E210 VanDerWaalsContact N-CD 3.33Å; T207-E210 PolarHBondContact N-OE1 3.33Å; T207-E210 PolarHBondContact N-OE2 2.99Å; T207-E210 VanDerWaalsContact OG1-CD 3.31Å; T207-E210 PolarHBondContact OG1-OE1 2.81Å; T207-E210 PolarHBondContact OG1-OE2 3.2Å; G208-E210 WeakPolarHBondContact CA-OE2 3.3Å; G208-E210 PolarHBondContact N-OE2 3.1Å; E210-N212 VanDerWaalsContact C-N 3.34Å; E210-F215 HydrophobicContact CB-CB 4.3Å; E210-F215 HydrophobicContact CG-CB 4.41Å
211	Q	76.9	Confident	89.5	Confident	140 Å²	140	49.9 Å²	49.9	65%	0.654	27%	0.267	S	S	*	.	S	Bend	trans	-81.6	-15.7	-179.6	-62.8	-178.7	1.8	0	0	113.4	F215	Q211-F215 HydrophobicContact CB-CD2 4.32Å; Q211-F215 HydrophobicContact CB-CE2 4.4Å
212	N	82.6	Confident	88.8	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-156.4	143.1	-178.9	175.1	-24.7	0	0	0	107.7	S47 H133 Q134 Q176 E210 W214 F215	S47-N212 PolarHBondContact OG-ND2 3.2Å; H133-N212 PolarHBondContact O-ND2 2.04Å; Q134-N212 PolarHBondContact O-ND2 2.97Å; Q176-N212 PolarHBondContact NE2-ND2 3.14Å; Q176-N212 VanDerWaalsContact NE2-ND2 3.19Å; Q176-N212 PolarHBondContact NE2-OD1 2.99Å; Q176-N212 VanDerWaalsContact OE1-CA 3.25Å; Q176-N212 PolarHBondContact OE1-OD1 3.42Å; E210-N212 VanDerWaalsContact C-N 3.34Å; N212-W214 PolarHBondContact O-N 3.4Å; N212-W214 VanDerWaalsContact O-N 3.14Å; N212-W214 VanDerWaalsContact OD1-CD1 3.24Å; N212-W214 PolarHBondContact OD1-N 3.04Å; N212-F215 HydrophobicContact CB-CD2 3.77Å; N212-F215 HydrophobicContact CB-CE2 3.97Å; N212-F215 PolarHBondContact O-N 3.27Å
213	L	90.2	Very high	88.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-51.3	-34.7	177.9	-168.3	64.8	0	0	0	113.1	V136 V149 V151 V160 W165 E169 V172 V173 L201 L204 F215 C216	V136-L213 HydrophobicContact CG2-CB 4.3Å; V149-L213 HydrophobicContact CG1-CD2 4.11Å; V151-L213 HydrophobicContact CG1-CD2 4.22Å; V160-L213 HydrophobicContact CG2-CD2 4.23Å; W165-L213 HydrophobicContact CH2-CD1 4.04Å; W165-L213 HydrophobicContact CH2-CD2 3.96Å; W165-L213 HydrophobicContact CZ3-CD1 3.86Å; W165-L213 HydrophobicContact CZ3-CD2 3.96Å; E169-L213 HydrophobicContact CB-CD1 4.34Å; V172-L213 HydrophobicContact CG1-CB 4.44Å; V172-L213 VanDerWaalsContact CG1-N 3.29Å; V173-L213 HydrophobicContact CG2-CB 4.42Å; V173-L213 HydrophobicContact CG2-CD1 4.04Å; V173-L213 HydrophobicContact CG2-CD2 3.89Å; V173-L213 HydrophobicContact CG2-CG 4.35Å; L201-L213 HydrophobicContact CD1-CD2 4.02Å; L201-L213 HydrophobicContact CD1-CG 4.13Å; L204-L213 HydrophobicContact CD1-CD1 4.03Å; L204-L213 HydrophobicContact CD1-CD2 4.21Å; L204-L213 HydrophobicContact CD1-CG 4.07Å; L213-F215 PolarHBondContact O-N 3.07Å; L213-C216 VanDerWaalsContact O-CB 3.25Å; L213-C216 WeakPolarHBondContact O-CB 3.25Å; L213-C216 PolarHBondContact O-N 3.39Å; L213-C216 PolarHBondContact O-SG 3.34Å
214	W	86.8	Confident	88.1	Confident	11 Å²	11	63.1 Å²	63.1	4%	0.042	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-72.2	-8.7	179.3	-70.1	89.5	0	0	0	115.2	Q134 V151 K153 H200 L201 N212	Q134-W214 HydrophobicContact CB-CB 4.03Å; Q134-W214 HydrophobicContact CB-CD2 3.55Å; Q134-W214 HydrophobicContact CB-CE3 4.36Å; Q134-W214 HydrophobicContact CB-CG 3.38Å; Q134-W214 HydrophobicContact CB-CZ2 4.24Å; Q134-W214 HydrophobicContact CG-CB 4.45Å; Q134-W214 HydrophobicContact CG-CD2 3.93Å; Q134-W214 HydrophobicContact CG-CE3 4.24Å; Q134-W214 HydrophobicContact CG-CG 4.05Å; Q134-W214 PolarHBondContact O-NE1 3.35Å; V151-W214 HydrophobicContact CB-CZ2 3.59Å; V151-W214 HydrophobicContact CG1-CZ2 4.49Å; V151-W214 HydrophobicContact CG2-CH2 4.32Å; V151-W214 HydrophobicContact CG2-CZ2 3.47Å; V151-W214 VanDerWaalsContact CG2-CZ2 3.47Å; K153-W214 HydrophobicContact CB-CH2 3.79Å; K153-W214 HydrophobicContact CB-CZ2 4.2Å; K153-W214 HydrophobicContact CD-CH2 3.92Å; K153-W214 HydrophobicContact CD-CZ3 4.41Å; K153-W214 HydrophobicContact CG-CH2 3.81Å; K153-W214 HydrophobicContact CG-CZ3 4.39Å; H200-W214 HydrophobicContact CB-CH2 3.97Å; H200-W214 HydrophobicContact CB-CZ2 4.29Å; L201-W214 HydrophobicContact CD1-CD2 3.83Å; L201-W214 HydrophobicContact CD1-CE3 4.18Å; L201-W214 HydrophobicContact CD1-CG 4.25Å; L201-W214 HydrophobicContact CD1-CZ2 4.25Å; L201-W214 HydrophobicContact CD2-CD2 4.09Å; L201-W214 HydrophobicContact CD2-CE3 3.55Å; L201-W214 HydrophobicContact CD2-CH2 4.12Å; L201-W214 HydrophobicContact CD2-CZ3 3.56Å; L201-W214 HydrophobicContact CG-CD2 4.19Å; L201-W214 HydrophobicContact CG-CE3 4.07Å; L201-W214 HydrophobicContact CG-CH2 4.03Å; L201-W214 HydrophobicContact CG-CZ2 4.14Å; L201-W214 HydrophobicContact CG-CZ3 3.98Å; N212-W214 PolarHBondContact O-N 3.4Å; N212-W214 VanDerWaalsContact O-N 3.14Å; N212-W214 VanDerWaalsContact OD1-CD1 3.24Å; N212-W214 PolarHBondContact OD1-N 3.04Å
215	F	83.2	Confident	88	Confident	111 Å²	111	64.1 Å²	64.1	49%	0.487	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-88.6	-6.2	167.9	-63.8	-50.2	0	0	0	113.1	E210 Q211 N212 L213	E210-F215 HydrophobicContact CB-CB 4.3Å; E210-F215 HydrophobicContact CG-CB 4.41Å; Q211-F215 HydrophobicContact CB-CD2 4.32Å; Q211-F215 HydrophobicContact CB-CE2 4.4Å; N212-F215 HydrophobicContact CB-CD2 3.77Å; N212-F215 HydrophobicContact CB-CE2 3.97Å; N212-F215 PolarHBondContact O-N 3.27Å; L213-F215 PolarHBondContact O-N 3.07Å
216	C	88.8	Confident	88	Confident	7 Å²	7	61.8 Å²	61.8	5%	0.047	34%	0.344	C	S	.	.	S	Bend	trans	-73.6	140.3	173.2	-58.7	0	0	0	0	110.9	L204 C206 L213 G218	L204-C216 HydrophobicContact CD2-CB 4.22Å; C206-C216 VanDerWaalsContact CA-SG 3.59Å; C206-C216 HydrophobicContact CB-CB 3.92Å; C206-C216 WeakPolarHBondContact CB-SG 3.25Å; C206-C216 WeakPolarHBondContact SG-CB 3.05Å; C206-C216 CovalentContact SG-SG 2.02Å; C206-C216 PolarHBondContact SG-SG 3.26Å; L213-C216 VanDerWaalsContact O-CB 3.25Å; L213-C216 WeakPolarHBondContact O-CB 3.25Å; L213-C216 PolarHBondContact O-N 3.39Å; L213-C216 PolarHBondContact O-SG 3.34Å; C216-G218 PolarHBondContact O-N 2.98Å
217	P	91.5	Very high	88	Confident	79 Å²	79	64.1 Å²	64.1	51%	0.513	36%	0.355	S	S	.	.	S	Bend	trans	-57.6	135.8	166.8	-22.5	33	0	0	0	111.1	N205	N205-P217 PolarHBondContact N-O 3.3Å
218	G	91.4	Very high	87.9	Confident	39 Å²	39	66.7 Å²	66.7	40%	0.402	36%	0.358	S	S	.	.			trans	175.6	-172.7	178.9	0	0	0	0	0	111.7	C216	C216-G218 PolarHBondContact O-N 2.98Å
219	V	90.5	Very high	88	Confident	58 Å²	58	68.7 Å²	68.7	35%	0.352	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-96.6	143.1	176.5	174.2	0	0	0	0	109.4	L201 D202 E203 E221	L201-V219 WeakPolarHBondContact CA-O 3.2Å; D202-V219 HydrophobicContact CB-CB 4.13Å; D202-V219 HydrophobicContact CB-CG1 4.41Å; D202-V219 PolarHBondContact N-O 3.45Å; D202-V219 PolarHBondContact O-N 3.43Å; E203-V219 HydrophobicContact CB-CG2 4.19Å; V219-E221 WeakPolarHBondContact CG1-O 3.49Å
220	Q	86.3	Confident	88.5	Confident	79 Å²	79	63.5 Å²	63.5	37%	0.369	34%	0.339	S	S	.	.			trans	-127	1.1	-179.2	-50.4	-167.3	-0.7	0	0	113.6	K153 H200 L201	K153-Q220 PolarHBondContact NZ-O 3.28Å; H200-Q220 WeakPolarHBondContact O-CA 3.3Å; L201-Q220 HydrophobicContact CD2-CG 3.87Å
221	E	77.9	Confident	89	Confident	123 Å²	123	61.8 Å²	61.8	58%	0.575	33%	0.331	S	S	*	.	S	Bend	trans	-153.3	143.4	-176.7	-63.6	-62.6	167	0	0	109.1	K153 V219	K153-E221 VanDerWaalsContact NZ-CD 3.34Å; K153-E221 IonicContact NZ-OE1 3.13Å; K153-E221 PolarHBondContact NZ-OE1 3.47Å; K153-E221 IonicContact NZ-OE2 2.76Å; V219-E221 WeakPolarHBondContact CG1-O 3.49Å
222	N	80.5	Confident	89.9	Confident	157 Å²	157	55.1 Å²	55.1	84%	0.84	30%	0.3	S	S	*	.			trans	62.7	41.1	179.4	-38.3	-86	0	0	0	114.9
223	S	85.7	Confident	90.5	Very high	34 Å²	34	55.1 Å²	55.1	24%	0.238	30%	0.3	C	S	.	.			trans	-58.2	140	162.8	-178	0	0	0	0	110.6	D202 C225	D202-S223 VanDerWaalsContact CG-OG 3.26Å; D202-S223 WeakPolarHBondContact OD2-CA 3.27Å; D202-S223 WeakPolarHBondContact OD2-CB 3.28Å; D202-S223 PolarHBondContact OD2-OG 2.91Å; S223-C225 WeakPolarHBondContact OG-CB 3.39Å; S223-C225 PolarHBondContact OG-N 3.45Å
224	D	90.8	Very high	90.7	Very high	152 Å²	152	55.3 Å²	55.3	81%	0.813	30%	0.301	S	S	*	.			trans	-99.4	0.6	171.8	62	-23.6	0	0	0	113.8
225	C	94.5	Very high	91	Very high	24 Å²	24	54.8 Å²	54.8	16%	0.162	30%	0.299	C	S	.	.			trans	-67.4	160.8	171.1	-53.3	0	0	0	0	113.3	C161 I199 S223 E229	C161-C225 HydrophobicContact CB-CB 3.7Å; C161-C225 WeakPolarHBondContact CB-SG 3.04Å; C161-C225 WeakPolarHBondContact SG-CB 3.39Å; C161-C225 CovalentContact SG-SG 2.03Å; C161-C225 PolarHBondContact SG-SG 3.49Å; I199-C225 HydrophobicContact CD1-CB 4Å; I199-C225 WeakPolarHBondContact CD1-O 3.47Å; S223-C225 WeakPolarHBondContact OG-CB 3.39Å; S223-C225 PolarHBondContact OG-N 3.45Å; C225-E229 HydrophobicContact CB-CB 4.09Å
226	G	94.6	Very high	91.5	Very high	32 Å²	32	50.9 Å²	50.9	33%	0.33	29%	0.286	S	S	.	.			trans	-125	170.4	165.1	0	0	0	0	0	111.9	K228 E229	G226-K228 PolarHBondContact O-N 3.16Å; G226-E229 PolarHBondContact N-OE2 2.91Å; G226-E229 WeakPolarHBondContact O-CA 3.5Å; G226-E229 WeakPolarHBondContact O-CB 3.34Å; G226-E229 PolarHBondContact O-N 3.33Å; G226-E229 VanDerWaalsContact O-OE2 3.04Å
227	H	94.9	Very high	91.5	Very high	51 Å²	51	54.9 Å²	54.9	24%	0.236	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-59.4	-5	-174	-67.1	-53.3	0	0	0	117.1	T159 P194 S196 G197 E229 D230	T159-H227 PolarHBondContact OG1-CE1 2.85Å; T159-H227 PolarHBondContact OG1-ND1 3.48Å; P194-H227 HydrophobicContact CB-CB 4.12Å; P194-H227 WeakPolarHBondContact CB-O 3.44Å; S196-H227 WeakPolarHBondContact CA-NE2 3.47Å; G197-H227 PolarHBondContact N-NE2 2.91Å; G197-H227 PolarHBondContact O-NE2 3.19Å; G197-H227 VanDerWaalsContact O-NE2 3.13Å; H227-E229 VanDerWaalsContact C-N 3.3Å; H227-D230 WeakPolarHBondContact CA-OD1 3.37Å; H227-D230 WeakPolarHBondContact CA-OD2 3.34Å; H227-D230 VanDerWaalsContact CB-OD2 3.31Å; H227-D230 WeakPolarHBondContact CB-OD2 3.3Å; H227-D230 IonicContact CG-OD1 2.63Å; H227-D230 IonicContact CG-OD2 3.15Å; H227-D230 IonicContact ND1-OD1 2.62Å; H227-D230 PolarHBondContact ND1-OD1 3.21Å; H227-D230 IonicContact ND1-OD2 3.35Å; H227-D230 PolarHBondContact ND1-OD2 3.34Å; H227-D230 VanDerWaalsContact ND1-OD2 3.11Å
228	K	94	Very high	91.1	Very high	144 Å²	144	51.1 Å²	51.1	63%	0.626	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-70.8	-31.2	167.7	-70.2	-176.9	178.9	178.2	0	112.3	Q188 N189 G226 D230	Q188-K228 VanDerWaalsContact CA-O 3.25Å; Q188-K228 WeakPolarHBondContact CA-O 3.37Å; N189-K228 PolarHBondContact N-O 2.83Å; G226-K228 PolarHBondContact O-N 3.16Å; K228-D230 VanDerWaalsContact C-N 3.31Å
229	E	95.8	Very high	90.2	Very high	45 Å²	45	55.8 Å²	55.8	21%	0.21	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-86.7	16.2	174.8	-72.2	94	-156.8	0	0	112.6	C161 D162 Q188 C225 G226 H227 A231	C161-E229 CarbonylContact C-O 3.47Å; C161-E229 WeakPolarHBondContact CA-O 3.35Å; D162-E229 PolarHBondContact N-O 3.38Å; D162-E229 WeakPolarHBondContact OD1-CA 3.41Å; D162-E229 WeakPolarHBondContact OD1-CB 3.49Å; D162-E229 WeakPolarHBondContact OD1-CG 3.32Å; Q188-E229 HydrophobicContact CB-CG 4.44Å; Q188-E229 HydrophobicContact CG-CG 4.03Å; Q188-E229 PolarHBondContact NE2-OE1 2.92Å; C225-E229 HydrophobicContact CB-CB 4.09Å; G226-E229 PolarHBondContact N-OE2 2.91Å; G226-E229 WeakPolarHBondContact O-CA 3.5Å; G226-E229 WeakPolarHBondContact O-CB 3.34Å; G226-E229 PolarHBondContact O-N 3.33Å; G226-E229 VanDerWaalsContact O-OE2 3.04Å; H227-E229 VanDerWaalsContact C-N 3.3Å; E229-A231 PolarHBondContact O-N 3.11Å
230	D	95.9	Very high	88.8	Confident	11 Å²	11	54.2 Å²	54.2	6%	0.059	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-67.6	118.2	177.3	-72.9	-27.7	0	0	0	111.1	R148 T159 G195 H227 K228	R148-D230 HydrophobicContact CG-CB 4.05Å; T159-D230 WeakPolarHBondContact CB-OD1 3.26Å; T159-D230 HydrophobicContact CG2-CB 4.43Å; T159-D230 PolarHBondContact OG1-OD1 3.14Å; G195-D230 WeakPolarHBondContact CA-OD2 3.36Å; G195-D230 PolarHBondContact N-OD2 2.8Å; H227-D230 WeakPolarHBondContact CA-OD1 3.37Å; H227-D230 WeakPolarHBondContact CA-OD2 3.34Å; H227-D230 VanDerWaalsContact CB-OD2 3.31Å; H227-D230 WeakPolarHBondContact CB-OD2 3.3Å; H227-D230 IonicContact CG-OD1 2.63Å; H227-D230 IonicContact CG-OD2 3.15Å; H227-D230 IonicContact ND1-OD1 2.62Å; H227-D230 PolarHBondContact ND1-OD1 3.21Å; H227-D230 IonicContact ND1-OD2 3.35Å; H227-D230 PolarHBondContact ND1-OD2 3.34Å; H227-D230 VanDerWaalsContact ND1-OD2 3.11Å; K228-D230 VanDerWaalsContact C-N 3.31Å
231	A	96.9	Very high	87.3	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.292	C	S	.	.			trans	-63.2	150.5	179.3	0	0	0	0	0	113.1	R148 V149 V160 D162 W165 E229	R148-A231 CarbonylContact C-O 3.25Å; R148-A231 WeakPolarHBondContact CA-O 3.09Å; V149-A231 PolarHBondContact N-O 3.25Å; V160-A231 HydrophobicContact CB-CB 4.2Å; V160-A231 HydrophobicContact CG1-CB 4.29Å; V160-A231 WeakPolarHBondContact O-CB 3.18Å; V160-A231 PolarHBondContact O-N 2.79Å; D162-A231 HydrophobicContact CB-CB 4.24Å; W165-A231 HydrophobicContact CB-CB 4.43Å; W165-A231 HydrophobicContact CD2-CB 3.63Å; W165-A231 HydrophobicContact CE3-CB 4.07Å; W165-A231 HydrophobicContact CG-CB 3.75Å; W165-A231 HydrophobicContact CZ2-CB 4.42Å; E229-A231 PolarHBondContact O-N 3.11Å
232	G	95.6	Very high	86.1	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	170.3	176.1	0	0	0	0	0	113.4	G147 W165 T186	G147-G232 CarbonylContact O-C 3.52Å; G147-G232 WeakPolarHBondContact O-CA 3.2Å; W165-G232 PolarHBondContact NE1-O 3.38Å; T186-G232 PolarHBondContact N-O 3.4Å; T186-G232 PolarHBondContact O-N 3.32Å; T186-G232 WeakPolarHBondContact OG1-CA 3.5Å; T186-G232 PolarHBondContact OG1-N 3.22Å
233	V	95.6	Very high	84.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	150.5	-173.6	62.8	0	0	0	0	112.1	L138 A146 G147 V149 A170 V173 C174 R184	L138-V233 HydrophobicContact CD1-CG1 4.05Å; L138-V233 HydrophobicContact CD2-CG1 3.44Å; L138-V233 VanDerWaalsContact CD2-CG1 3.44Å; L138-V233 HydrophobicContact CG-CG1 4.42Å; A146-V233 WeakPolarHBondContact CA-O 3.45Å; G147-V233 PolarHBondContact N-O 3Å; G147-V233 PolarHBondContact O-N 3.35Å; V149-V233 HydrophobicContact CG2-CB 4.43Å; V149-V233 HydrophobicContact CG2-CG1 3.85Å; A170-V233 HydrophobicContact CB-CB 4.31Å; A170-V233 HydrophobicContact CB-CG2 3.54Å; V173-V233 HydrophobicContact CG1-CG1 3.97Å; C174-V233 VanDerWaalsContact SG-CG2 3.56Å; R184-V233 CarbonylContact O-C 3.53Å; R184-V233 WeakPolarHBondContact O-CA 3.43Å
234	V	94.1	Very high	82.6	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.024	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119	165.7	-176.3	0	0	0	0	108	A146 L183 R184 F192 S238 F241	A146-V234 HydrophobicContact CB-CG1 4.34Å; A146-V234 HydrophobicContact CB-CG2 4.38Å; L183-V234 WeakPolarHBondContact CB-O 3.13Å; L183-V234 PolarHBondContact N-O 3.43Å; R184-V234 HydrophobicContact CB-CB 4.26Å; R184-V234 HydrophobicContact CB-CG2 4.48Å; R184-V234 PolarHBondContact N-O 3.37Å; R184-V234 PolarHBondContact O-N 3.16Å; F192-V234 HydrophobicContact CZ-CG2 4.04Å; V234-S238 VanDerWaalsContact CG1-OG 3.3Å; V234-S238 WeakPolarHBondContact CG1-OG 3.16Å; V234-F241 HydrophobicContact CG1-CD2 4.5Å
235	C	93.8	Very high	80.4	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	166.4	175.7	-49.5	0	0	0	0	111.8	C145 C174 C179 T181 D237 S238	C145-C235 HydrophobicContact CB-CB 4.33Å; C145-C235 WeakPolarHBondContact O-CB 3.48Å; C145-C235 PolarHBondContact O-N 2.67Å; C174-C235 VanDerWaalsContact CA-SG 3.52Å; C174-C235 HydrophobicContact CB-CB 3.8Å; C174-C235 WeakPolarHBondContact CB-SG 3.33Å; C174-C235 WeakPolarHBondContact SG-CB 3.47Å; C174-C235 CovalentContact SG-SG 2.04Å; C174-C235 PolarHBondContact SG-SG 3.24Å; C179-C235 HydrophobicContact CB-CB 3.66Å; C179-C235 WeakPolarHBondContact O-CB 3.38Å; T181-C235 CarbonylContact O-C 3.45Å; T181-C235 VanDerWaalsContact O-CA 3.25Å; T181-C235 WeakPolarHBondContact O-CA 3.18Å; C235-D237 PolarHBondContact O-N 2.71Å; C235-S238 WeakPolarHBondContact O-CB 3.25Å; C235-S238 PolarHBondContact O-N 3.41Å; C235-S238 PolarHBondContact O-OG 3.5Å
236	S	92.3	Very high	78.1	Confident	29 Å²	29	53.9 Å²	53.9	20%	0.203	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.6	-175.5	55.7	0	0	0	0	113.7	C179 G180 T181 S238	C179-S236 PolarHBondContact O-OG 2.94Å; G180-S236 WeakPolarHBondContact CA-OG 3.46Å; T181-S236 PolarHBondContact N-OG 3.08Å; T181-S236 PolarHBondContact O-N 2.83Å; S236-S238 VanDerWaalsContact C-N 3.26Å; S236-S238 PolarHBondContact O-N 3.27Å
237	D	89.6	Confident	75.8	Confident	92 Å²	92	60.1 Å²	60.1	49%	0.492	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	11.5	-170.4	-57.9	9.8	0	0	0	111.3	C179 C235	C179-D237 PolarHBondContact O-N 2.81Å; C235-D237 PolarHBondContact O-N 2.71Å
238	S	83.6	Confident	73.4	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.338	C	S	.	.			trans	-77.8	122.3	174.7	62.6	0	0	0	0	112.5	V234 C235 S236 A240 F241	V234-S238 VanDerWaalsContact CG1-OG 3.3Å; V234-S238 WeakPolarHBondContact CG1-OG 3.16Å; C235-S238 WeakPolarHBondContact O-CB 3.25Å; C235-S238 PolarHBondContact O-N 3.41Å; C235-S238 PolarHBondContact O-OG 3.5Å; S236-S238 VanDerWaalsContact C-N 3.26Å; S236-S238 PolarHBondContact O-N 3.27Å; S238-A240 PolarHBondContact O-N 2.66Å; S238-F241 PolarHBondContact O-N 3.45Å
239	K	72	Confident	71.3	Confident	136 Å²	136	56.8 Å²	56.8	59%	0.591	33%	0.326	S	S	*	.	H	α-helix	trans	-68.3	-26.2	179.4	-41.6	-175.2	-149.7	90.2	0	112.2	D143 F241 F242 G243	D143-K239 VanDerWaalsContact OD1-CB 3.28Å; D143-K239 WeakPolarHBondContact OD1-CB 3.21Å; D143-K239 WeakPolarHBondContact OD1-CD 3.48Å; D143-K239 WeakPolarHBondContact OD1-CG 3.36Å; D143-K239 IonicContact OD1-NZ 2.83Å; D143-K239 PolarHBondContact OD1-NZ 3.17Å; D143-K239 WeakPolarHBondContact OD2-CB 3.37Å; K239-F241 PolarHBondContact O-N 2.76Å; K239-F241 VanDerWaalsContact O-N 3.14Å; K239-F242 CarbonylContact O-C 3.55Å; K239-F242 WeakPolarHBondContact O-CA 3.32Å; K239-F242 WeakPolarHBondContact O-CB 3.44Å; K239-F242 PolarHBondContact O-N 2.85Å; K239-G243 PolarHBondContact O-N 3.27Å
240	A	61.4	Low	68.8	Low	26 Å²	26	58.8 Å²	58.8	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-42.3	-43.8	167.2	0	0	0	0	0	113.3	D143 S238 G243 V244	D143-A240 PolarHBondContact OD2-N 3.49Å; S238-A240 PolarHBondContact O-N 2.66Å; A240-G243 PolarHBondContact O-N 3.38Å; A240-V244 WeakPolarHBondContact O-CG2 3.44Å; A240-V244 PolarHBondContact O-N 3.09Å
241	F	54.7	Low	66.3	Low	116 Å²	116	65.9 Å²	65.9	51%	0.509	38%	0.375	S	S	.	.	H	α-helix	trans	-74.1	-29.4	-179.7	-151.1	-97.4	0	0	0	113	L183 V234 S238 K239	L183-F241 HydrophobicContact CD1-CD1 4.16Å; L183-F241 HydrophobicContact CD1-CD2 4.33Å; L183-F241 HydrophobicContact CD1-CE1 4.48Å; L183-F241 HydrophobicContact CD1-CG 4.08Å; V234-F241 HydrophobicContact CG1-CD2 4.5Å; S238-F241 PolarHBondContact O-N 3.45Å; K239-F241 PolarHBondContact O-N 2.76Å; K239-F241 VanDerWaalsContact O-N 3.14Å
242	F	52.9	Low	63.9	Low	145 Å²	145	72.3 Å²	72.3	64%	0.636	41%	0.408	S	S	*	.	H	α-helix	trans	-76.9	-27.1	171.4	-67	-85.3	0	0	0	112.7	K239	K239-F242 CarbonylContact O-C 3.55Å; K239-F242 WeakPolarHBondContact O-CA 3.32Å; K239-F242 WeakPolarHBondContact O-CB 3.44Å; K239-F242 PolarHBondContact O-N 2.85Å
243	G	47.4	Very low	61.5	Low	35 Å²	35	77.6 Å²	77.6	36%	0.361	43%	0.434	S	S	.	.	H	α-helix	trans	-69.5	-52.1	175.4	0	0	0	0	0	112.9	K239 A240 A245 T246	K239-G243 PolarHBondContact O-N 3.27Å; A240-G243 PolarHBondContact O-N 3.38Å; G243-A245 PolarHBondContact O-N 3.35Å; G243-A245 VanDerWaalsContact O-N 3.13Å; G243-T246 WeakPolarHBondContact O-CB 3.49Å; G243-T246 PolarHBondContact O-N 2.89Å; G243-T246 PolarHBondContact O-OG1 3.11Å
244	V	45.3	Very low	58.8	Low	115 Å²	115	81.6 Å²	81.6	70%	0.697	46%	0.459	S	S	*	.	H	α-helix	trans	-60.3	-26.8	179.8	176.4	0	0	0	0	112.2	A240 T246	A240-V244 WeakPolarHBondContact O-CG2 3.44Å; A240-V244 PolarHBondContact O-N 3.09Å; V244-T246 PolarHBondContact O-N 3.31Å; V244-T246 VanDerWaalsContact O-N 3.16Å
245	A	43.2	Very low	56.2	Low	67 Å²	67	86.1 Å²	86.1	55%	0.554	49%	0.487	S	S	*	.	H	α-helix	trans	-70.8	2.8	173.1	0	0	0	0	0	114.7	G243 V249	G243-A245 PolarHBondContact O-N 3.35Å; G243-A245 VanDerWaalsContact O-N 3.13Å; A245-V249 WeakPolarHBondContact O-CG2 3.37Å
246	T	46.3	Very low	53.9	Low	84 Å²	84	88.8 Å²	88.8	52%	0.515	51%	0.509	S	S	.	.	H	α-helix	trans	-110.2	-35.5	178.2	65.9	0	0	0	0	114.2	G243 V244 V249	G243-T246 WeakPolarHBondContact O-CB 3.49Å; G243-T246 PolarHBondContact O-N 2.89Å; G243-T246 PolarHBondContact O-OG1 3.11Å; V244-T246 PolarHBondContact O-N 3.31Å; V244-T246 VanDerWaalsContact O-N 3.16Å; T246-V249 WeakPolarHBondContact O-CG2 3.3Å
247	E	47.6	Very low	51.5	Low	162 Å²	162	97.1 Å²	97.1	76%	0.757	54%	0.536	S	S	*	.	H	α-helix	trans	-75.3	-34	-176.1	-60.7	-164.4	143.1	0	0	112.8	V249 T250	E247-V249 VanDerWaalsContact C-N 3.34Å; E247-V249 PolarHBondContact O-N 2.91Å; E247-T250 PolarHBondContact O-OG1 3.21Å; E247-T250 VanDerWaalsContact O-OG1 3.08Å
248	G	44.2	Very low	49.4	Very low	63 Å²	63	100.3 Å²	100.3	65%	0.649	55%	0.552	S	S	*	*	H	α-helix	trans	-76.5	-11.5	179.1	0	0	0	0	0	115.9
249	V	49.4	Very low	48	Very low	63 Å²	63	104 Å²	104	38%	0.382	58%	0.582	S	S	.	*	H	α-helix	trans	-105.9	-16	-177.7	-82.9	0	0	0	0	114	A245 T246 E247 E251 M253	A245-V249 WeakPolarHBondContact O-CG2 3.37Å; T246-V249 WeakPolarHBondContact O-CG2 3.3Å; E247-V249 VanDerWaalsContact C-N 3.34Å; E247-V249 PolarHBondContact O-N 2.91Å; V249-E251 VanDerWaalsContact C-N 3.35Å; V249-E251 PolarHBondContact O-N 3.31Å; V249-M253 HydrophobicContact CB-CE 4.25Å; V249-M253 HydrophobicContact CG1-CE 4.49Å; V249-M253 VanDerWaalsContact O-CB 3.27Å; V249-M253 WeakPolarHBondContact O-CB 3.03Å; V249-M253 VanDerWaalsContact O-CG 3.28Å; V249-M253 WeakPolarHBondContact O-CG 3.49Å; V249-M253 PolarHBondContact O-N 2.92Å
250	T	44	Very low	47	Very low	86 Å²	86	100.9 Å²	100.9	53%	0.528	59%	0.589	S	S	.	*	H	α-helix	trans	-62.7	-39.5	177.6	48.4	0	0	0	0	112.2	E247 T254	E247-T250 PolarHBondContact O-OG1 3.21Å; E247-T250 VanDerWaalsContact O-OG1 3.08Å; T250-T254 VanDerWaalsContact O-CB 3.3Å; T250-T254 WeakPolarHBondContact O-CB 3.37Å; T250-T254 PolarHBondContact O-N 2.97Å; T250-T254 PolarHBondContact O-OG1 2.71Å
251	E	43	Very low	46.5	Very low	161 Å²	161	103.7 Å²	103.7	75%	0.752	61%	0.612	S	S	*	*	H	α-helix	trans	-70.3	-46.3	-179.9	-164.4	168.2	-151.6	0	0	112.1	V249 M253 T254 T255	V249-E251 VanDerWaalsContact C-N 3.35Å; V249-E251 PolarHBondContact O-N 3.31Å; E251-M253 PolarHBondContact O-N 3.36Å; E251-T254 PolarHBondContact O-N 3.19Å; E251-T255 PolarHBondContact O-N 3Å
252	L	46.2	Very low	46.2	Very low	134 Å²	134	102.2 Å²	102.2	70%	0.702	61%	0.614	S	S	*	*	H	α-helix	trans	-65.2	-37.8	175.1	-115.1	89.2	0	0	0	112.6	T254 T255 A256	L252-T254 VanDerWaalsContact C-N 3.33Å; L252-T255 PolarHBondContact O-OG1 2.04Å; L252-A256 PolarHBondContact O-N 3.38Å
253	M	44.5	Very low	46.2	Very low	111 Å²	111	98 Å²	98	55%	0.547	60%	0.602	S	S	.	*	H	α-helix	trans	-74.6	-21.5	176.3	-68.8	-169.7	-173.5	0	0	113.2	V249 E251 A256 R257	V249-M253 HydrophobicContact CB-CE 4.25Å; V249-M253 HydrophobicContact CG1-CE 4.49Å; V249-M253 VanDerWaalsContact O-CB 3.27Å; V249-M253 WeakPolarHBondContact O-CB 3.03Å; V249-M253 VanDerWaalsContact O-CG 3.28Å; V249-M253 WeakPolarHBondContact O-CG 3.49Å; V249-M253 PolarHBondContact O-N 2.92Å; E251-M253 PolarHBondContact O-N 3.36Å; M253-A256 PolarHBondContact O-N 2.96Å; M253-R257 WeakPolarHBondContact O-CG 3.43Å; M253-R257 PolarHBondContact O-N 3.13Å
254	T	39.8	Very low	46.6	Very low	84 Å²	84	101.5 Å²	101.5	52%	0.515	62%	0.619	S	S	.	*	H	α-helix	trans	-72	-38.9	176	-64.5	0	0	0	0	111.5	T250 E251 L252 R257	T250-T254 VanDerWaalsContact O-CB 3.3Å; T250-T254 WeakPolarHBondContact O-CB 3.37Å; T250-T254 PolarHBondContact O-N 2.97Å; T250-T254 PolarHBondContact O-OG1 2.71Å; E251-T254 PolarHBondContact O-N 3.19Å; L252-T254 VanDerWaalsContact C-N 3.33Å; T254-R257 PolarHBondContact O-N 3.02Å
255	T	39.5	Very low	47.1	Very low	100 Å²	100	103.2 Å²	103.2	61%	0.613	62%	0.619	S	S	*	*	H	α-helix	trans	-66.9	-38.5	171.1	57.8	0	0	0	0	111.9	E251 L252 R257 L258	E251-T255 PolarHBondContact O-N 3Å; L252-T255 PolarHBondContact O-OG1 2.04Å; T255-R257 VanDerWaalsContact C-N 3.32Å; T255-R257 PolarHBondContact O-N 3Å; T255-L258 PolarHBondContact O-N 3.23Å
256	A	44.1	Very low	47.9	Very low	56 Å²	56	105.3 Å²	105.3	46%	0.463	62%	0.617	S	S	.	*	H	α-helix	trans	-62.3	-34.2	173.7	0	0	0	0	0	113.3	L252 M253 L258 A259	L252-A256 PolarHBondContact O-N 3.38Å; M253-A256 PolarHBondContact O-N 2.96Å; A256-L258 PolarHBondContact O-N 3.42Å; A256-A259 CarbonylContact O-C 3.54Å; A256-A259 PolarHBondContact O-N 2.82Å
257	R	43.5	Very low	48.6	Very low	204 Å²	204	106.3 Å²	106.3	77%	0.77	62%	0.619	S	S	*	*	H	α-helix	trans	-67.3	-16.7	178.2	-80.7	175.3	179.8	-175.4	1.4	114.6	M253 T254 T255	M253-R257 WeakPolarHBondContact O-CG 3.43Å; M253-R257 PolarHBondContact O-N 3.13Å; T254-R257 PolarHBondContact O-N 3.02Å; T255-R257 VanDerWaalsContact C-N 3.32Å; T255-R257 PolarHBondContact O-N 3Å
258	L	45.4	Very low	49.6	Very low	159 Å²	159	102 Å²	102	83%	0.832	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-16.6	171.8	-67.1	174.4	0	0	0	113	T255 A256	T255-L258 PolarHBondContact O-N 3.23Å; A256-L258 PolarHBondContact O-N 3.42Å
259	A	52.5	Low	51.1	Low	77 Å²	77	104 Å²	104	64%	0.636	60%	0.602	S	S	*	*	S	Bend	trans	-101.1	76.2	170.1	0	0	0	0	0	109.3	A256 A261	A256-A259 CarbonylContact O-C 3.54Å; A256-A259 PolarHBondContact O-N 2.82Å; A259-A261 PolarHBondContact O-N 2.87Å
260	G	52.1	Low	52.5	Low	71 Å²	71	105 Å²	105	73%	0.732	61%	0.607	S	S	*	*			trans	-38.3	99.5	-165.5	0	0	0	0	0	115.9
261	A	50	Low	54.2	Low	85 Å²	85	105.4 Å²	105.4	70%	0.702	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-66.8	132.8	176.7	0	0	0	0	0	110.4	A259	A259-A261 PolarHBondContact O-N 2.87Å
262	P	49	Very low	56.3	Low	84 Å²	84	103.4 Å²	103.4	55%	0.545	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-66.2	142	-179.5	27.6	-34.4	0	0	0	111.1	H266 L267	P262-H266 HydrophobicContact CB-CB 4.05Å; P262-L267 HydrophobicContact CG-CD1 4.4Å
263	S	52.5	Low	58.3	Low	57 Å²	57	99.3 Å²	99.3	40%	0.399	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-58.7	153.5	176.6	59.8	0	0	0	0	111.8	E265 H266 L267	S263-E265 PolarHBondContact O-N 2.83Å; S263-H266 PolarHBondContact O-N 2.92Å; S263-H266 PolarHBondContact OG-CD2 3Å; S263-L267 PolarHBondContact O-N 2.97Å
264	P	56.7	Low	60.5	Low	108 Å²	108	98.8 Å²	98.8	70%	0.701	59%	0.588	S	S	*	*	H	α-helix	trans	-58.7	-22.3	-173.1	20.6	-33.5	0	0	0	114.7	L267 S268	P264-L267 PolarHBondContact O-N 2.64Å; P264-S268 PolarHBondContact O-N 2.88Å
265	E	55.8	Low	62.9	Low	151 Å²	151	96.8 Å²	96.8	71%	0.706	58%	0.584	S	S	*	*	H	α-helix	trans	-68.9	-39.6	175.2	-62.5	-178.7	-134.8	0	0	112.2	S263 L267 S268 I269	S263-E265 PolarHBondContact O-N 2.83Å; E265-L267 VanDerWaalsContact C-N 3.34Å; E265-L267 PolarHBondContact O-N 3.01Å; E265-S268 PolarHBondContact O-N 2.66Å; E265-I269 WeakPolarHBondContact O-CG1 3.18Å; E265-I269 PolarHBondContact O-N 3.17Å
266	H	60.2	Low	65.5	Low	111 Å²	111	97.9 Å²	97.9	51%	0.514	59%	0.585	S	S	.	*	H	α-helix	trans	-67.8	-33.7	175	-71.2	-55.3	0	0	0	112.5	P262 S263 S268 I269 V270	P262-H266 HydrophobicContact CB-CB 4.05Å; S263-H266 PolarHBondContact O-N 2.92Å; S263-H266 PolarHBondContact OG-CD2 3Å; H266-S268 VanDerWaalsContact C-N 3.33Å; H266-S268 PolarHBondContact O-N 3.5Å; H266-I269 PolarHBondContact O-N 2.81Å; H266-V270 WeakPolarHBondContact O-CG2 3.38Å; H266-V270 PolarHBondContact O-N 3.23Å
267	L	61.1	Low	67.8	Low	105 Å²	105	100.8 Å²	100.8	55%	0.55	59%	0.593	S	S	.	*	H	α-helix	trans	-62	-42.9	177.8	-141.9	89.4	0	0	0	111.1	P262 S263 P264 E265 I269 V270 V271	P262-L267 HydrophobicContact CG-CD1 4.4Å; S263-L267 PolarHBondContact O-N 2.97Å; P264-L267 PolarHBondContact O-N 2.64Å; E265-L267 VanDerWaalsContact C-N 3.34Å; E265-L267 PolarHBondContact O-N 3.01Å; L267-I269 PolarHBondContact O-N 2.86Å; L267-V270 PolarHBondContact O-N 3.46Å; L267-V271 WeakPolarHBondContact O-CG2 3.05Å; L267-V271 PolarHBondContact O-N 3.21Å
268	S	68.9	Low	70.2	Confident	73 Å²	73	95 Å²	95	51%	0.51	58%	0.58	S	S	.	*	H	α-helix	trans	-59.8	-44.6	174	-66.4	0	0	0	0	112.2	P264 E265 H266 V270 V271 L272	P264-S268 PolarHBondContact O-N 2.88Å; E265-S268 PolarHBondContact O-N 2.66Å; H266-S268 VanDerWaalsContact C-N 3.33Å; H266-S268 PolarHBondContact O-N 3.5Å; S268-V270 PolarHBondContact O-N 2.7Å; S268-V271 PolarHBondContact O-N 3.33Å; S268-L272 WeakPolarHBondContact O-CB 2.98Å; S268-L272 VanDerWaalsContact O-CG 3.28Å; S268-L272 WeakPolarHBondContact O-CG 3.2Å; S268-L272 PolarHBondContact O-N 3.01Å
269	I	75.1	Confident	72.5	Confident	105 Å²	105	94.2 Å²	94.2	54%	0.538	57%	0.57	S	S	.	*	H	α-helix	trans	-62.9	-42.8	178.6	-65.1	166.7	0	0	0	111.2	E265 H266 L267 L272 A273	E265-I269 WeakPolarHBondContact O-CG1 3.18Å; E265-I269 PolarHBondContact O-N 3.17Å; H266-I269 PolarHBondContact O-N 2.81Å; L267-I269 PolarHBondContact O-N 2.86Å; I269-L272 PolarHBondContact O-N 3.02Å; I269-A273 WeakPolarHBondContact O-CB 3.28Å; I269-A273 PolarHBondContact O-N 3.38Å
270	V	77.6	Confident	74.5	Confident	82 Å²	82	92.7 Å²	92.7	50%	0.497	56%	0.557	S	S	.	*	H	α-helix	trans	-66	-43.5	177.9	172	0	0	0	0	111.5	H266 L267 S268 L272 A273 L274	H266-V270 WeakPolarHBondContact O-CG2 3.38Å; H266-V270 PolarHBondContact O-N 3.23Å; L267-V270 PolarHBondContact O-N 3.46Å; S268-V270 PolarHBondContact O-N 2.7Å; V270-L272 PolarHBondContact O-N 3.15Å; V270-A273 PolarHBondContact O-N 3.43Å; V270-L274 HydrophobicContact CG1-CD1 3.92Å; V270-L274 HydrophobicContact CG1-CG 4.39Å; V270-L274 WeakPolarHBondContact O-CB 3.3Å; V270-L274 VanDerWaalsContact O-CG 3.32Å; V270-L274 WeakPolarHBondContact O-CG 3.43Å; V270-L274 PolarHBondContact O-N 3.03Å
271	V	81.1	Confident	76.5	Confident	95 Å²	95	92.2 Å²	92.2	58%	0.576	54%	0.543	S	S	*	.	H	α-helix	trans	-62.7	-42.3	176.9	170.2	0	0	0	0	111.4	L267 S268 L274 G275	L267-V271 WeakPolarHBondContact O-CG2 3.05Å; L267-V271 PolarHBondContact O-N 3.21Å; S268-V271 PolarHBondContact O-N 3.33Å; V271-L274 PolarHBondContact O-N 3.27Å; V271-G275 PolarHBondContact O-N 3.14Å
272	L	86.3	Confident	78.6	Confident	120 Å²	120	92.9 Å²	92.9	63%	0.628	53%	0.534	S	S	*	.	H	α-helix	trans	-64.4	-42.8	175.3	-71.4	169.6	0	0	0	112.1	S268 I269 V270 G275 L276	S268-L272 WeakPolarHBondContact O-CB 2.98Å; S268-L272 VanDerWaalsContact O-CG 3.28Å; S268-L272 WeakPolarHBondContact O-CG 3.2Å; S268-L272 PolarHBondContact O-N 3.01Å; I269-L272 PolarHBondContact O-N 3.02Å; V270-L272 PolarHBondContact O-N 3.15Å; L272-G275 PolarHBondContact O-N 2.85Å; L272-L276 WeakPolarHBondContact O-CG 3.34Å; L272-L276 PolarHBondContact O-N 2.89Å
273	A	87.8	Confident	80.7	Confident	47 Å²	47	91.2 Å²	91.2	39%	0.388	52%	0.524	S	S	.	.	H	α-helix	trans	-63	-43.9	177	0	0	0	0	0	112.3	I269 V270 L276 L277	I269-A273 WeakPolarHBondContact O-CB 3.28Å; I269-A273 PolarHBondContact O-N 3.38Å; V270-A273 PolarHBondContact O-N 3.43Å; A273-L276 PolarHBondContact O-N 3.48Å; A273-L277 WeakPolarHBondContact O-CG 3.4Å; A273-L277 PolarHBondContact O-N 2.82Å
274	L	91.4	Very high	82.6	Confident	101 Å²	101	94.1 Å²	94.1	53%	0.529	54%	0.535	S	S	.	.	H	α-helix	trans	-64	-41.8	174.8	-70	172	0	0	0	111.7	V270 V271 L276 L277 V278	V270-L274 HydrophobicContact CG1-CD1 3.92Å; V270-L274 HydrophobicContact CG1-CG 4.39Å; V270-L274 WeakPolarHBondContact O-CB 3.3Å; V270-L274 VanDerWaalsContact O-CG 3.32Å; V270-L274 WeakPolarHBondContact O-CG 3.43Å; V270-L274 PolarHBondContact O-N 3.03Å; V271-L274 PolarHBondContact O-N 3.27Å; L274-L276 PolarHBondContact O-N 2.83Å; L274-L277 PolarHBondContact O-N 3.39Å; L274-V278 WeakPolarHBondContact O-CG2 3.21Å; L274-V278 PolarHBondContact O-N 2.98Å
275	G	89.3	Confident	84.4	Confident	42 Å²	42	93 Å²	93	43%	0.433	53%	0.526	S	S	.	.	H	α-helix	trans	-58.9	-43.5	174.5	0	0	0	0	0	113	V271 L272 V278 F279	V271-G275 PolarHBondContact O-N 3.14Å; L272-G275 PolarHBondContact O-N 2.85Å; G275-V278 PolarHBondContact O-N 2.91Å; G275-F279 WeakPolarHBondContact O-CB 3.46Å; G275-F279 PolarHBondContact O-N 2.95Å
276	L	94.4	Very high	86.2	Confident	122 Å²	122	91.2 Å²	91.2	64%	0.639	52%	0.521	S	S	*	.	H	α-helix	trans	-65.8	-39	175.8	-71.7	171.1	0	0	0	112.6	L272 A273 L274 F279 A280	L272-L276 WeakPolarHBondContact O-CG 3.34Å; L272-L276 PolarHBondContact O-N 2.89Å; A273-L276 PolarHBondContact O-N 3.48Å; L274-L276 PolarHBondContact O-N 2.83Å; L276-F279 PolarHBondContact O-N 3.04Å; L276-A280 VanDerWaalsContact O-CB 3.29Å; L276-A280 WeakPolarHBondContact O-CB 3.25Å; L276-A280 PolarHBondContact O-N 3.48Å
277	L	93.8	Very high	87.8	Confident	118 Å²	118	88.7 Å²	88.7	62%	0.618	51%	0.514	S	S	*	.	H	α-helix	trans	-65.5	-42.8	175.5	-71.9	169.2	0	0	0	112	A273 L274 A280 S281	A273-L277 WeakPolarHBondContact O-CG 3.4Å; A273-L277 PolarHBondContact O-N 2.82Å; L274-L277 PolarHBondContact O-N 3.39Å; L277-A280 PolarHBondContact O-N 2.99Å; L277-S281 WeakPolarHBondContact O-CB 3.31Å; L277-S281 PolarHBondContact O-N 3.11Å; L277-S281 PolarHBondContact O-OG 2.73Å
278	V	94.3	Very high	89.2	Confident	83 Å²	83	87.3 Å²	87.3	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-61.7	-48.9	173.8	172.4	0	0	0	0	110.2	L274 G275 A280 S281 L282	L274-V278 WeakPolarHBondContact O-CG2 3.21Å; L274-V278 PolarHBondContact O-N 2.98Å; G275-V278 PolarHBondContact O-N 2.91Å; V278-A280 PolarHBondContact O-N 2.95Å; V278-S281 PolarHBondContact O-N 3.31Å; V278-S281 PolarHBondContact O-OG 3.5Å; V278-L282 HydrophobicContact CG1-CD1 3.93Å; V278-L282 HydrophobicContact CG1-CG 4.43Å; V278-L282 WeakPolarHBondContact O-CG 3.43Å; V278-L282 PolarHBondContact O-N 2.62Å
279	F	93.3	Very high	90.2	Very high	141 Å²	141	88.3 Å²	88.3	62%	0.618	51%	0.512	S	S	*	.	H	α-helix	trans	-59.9	-41.8	178.3	-176.4	-96.4	0	0	0	113.1	G275 L276 S283	G275-F279 WeakPolarHBondContact O-CB 3.46Å; G275-F279 PolarHBondContact O-N 2.95Å; L276-F279 PolarHBondContact O-N 3.04Å; F279-S283 WeakPolarHBondContact O-CB 3.37Å; F279-S283 PolarHBondContact O-N 3.34Å; F279-S283 PolarHBondContact O-OG 2.79Å
280	A	93.4	Very high	90.8	Very high	46 Å²	46	90.6 Å²	90.6	38%	0.38	52%	0.515	S	S	.	.	H	α-helix	trans	-64.2	-43.8	175.5	0	0	0	0	0	111.9	L276 L277 V278 S283 L284	L276-A280 VanDerWaalsContact O-CB 3.29Å; L276-A280 WeakPolarHBondContact O-CB 3.25Å; L276-A280 PolarHBondContact O-N 3.48Å; L277-A280 PolarHBondContact O-N 2.99Å; V278-A280 PolarHBondContact O-N 2.95Å; A280-S283 PolarHBondContact O-N 2.66Å; A280-L284 WeakPolarHBondContact O-CG 3.08Å; A280-L284 PolarHBondContact O-N 2.8Å
281	S	93.6	Very high	91.2	Very high	61 Å²	61	95 Å²	95	43%	0.427	52%	0.523	S	S	.	.	H	α-helix	trans	-64.5	-42.4	177.7	70.8	0	0	0	0	112.6	L277 V278 S283 L284 V285	L277-S281 WeakPolarHBondContact O-CB 3.31Å; L277-S281 PolarHBondContact O-N 3.11Å; L277-S281 PolarHBondContact O-OG 2.73Å; V278-S281 PolarHBondContact O-N 3.31Å; V278-S281 PolarHBondContact O-OG 3.5Å; S281-S283 PolarHBondContact O-N 3.46Å; S281-L284 PolarHBondContact O-N 3.03Å; S281-V285 WeakPolarHBondContact O-CG2 3.48Å; S281-V285 PolarHBondContact O-N 3.2Å
282	L	94.3	Very high	91.3	Very high	98 Å²	98	99.6 Å²	99.6	51%	0.513	53%	0.53	S	S	.	.	H	α-helix	trans	-61.9	-42.4	173.9	-71.1	172.1	0	0	0	111.6	V278 L284 V285 L286	V278-L282 HydrophobicContact CG1-CD1 3.93Å; V278-L282 HydrophobicContact CG1-CG 4.43Å; V278-L282 WeakPolarHBondContact O-CG 3.43Å; V278-L282 PolarHBondContact O-N 2.62Å; L282-L284 VanDerWaalsContact C-N 3.34Å; L282-L284 PolarHBondContact O-N 3.18Å; L282-V285 PolarHBondContact O-N 2.94Å; L282-L286 WeakPolarHBondContact O-CB 3.47Å; L282-L286 WeakPolarHBondContact O-CG 3.1Å; L282-L286 PolarHBondContact O-N 2.8Å
283	S	93.2	Very high	91	Very high	49 Å²	49	99.9 Å²	99.9	34%	0.343	53%	0.528	S	S	.	.	H	α-helix	trans	-63	-38.8	176.5	-61.5	0	0	0	0	112.3	F279 A280 S281 C287	F279-S283 WeakPolarHBondContact O-CB 3.37Å; F279-S283 PolarHBondContact O-N 3.34Å; F279-S283 PolarHBondContact O-OG 2.79Å; A280-S283 PolarHBondContact O-N 2.66Å; S281-S283 PolarHBondContact O-N 3.46Å; S283-C287 VanDerWaalsContact O-CB 3.28Å; S283-C287 WeakPolarHBondContact O-CB 3.34Å; S283-C287 PolarHBondContact O-N 2.02Å
284	L	93.9	Very high	90.5	Very high	119 Å²	119	102 Å²	102	62%	0.623	53%	0.529	S	S	*	.	H	α-helix	trans	-68.2	-41.1	173.9	-72.6	170.9	0	0	0	112.1	A280 S281 L282 C287 C288	A280-L284 WeakPolarHBondContact O-CG 3.08Å; A280-L284 PolarHBondContact O-N 2.8Å; S281-L284 PolarHBondContact O-N 3.03Å; L282-L284 VanDerWaalsContact C-N 3.34Å; L282-L284 PolarHBondContact O-N 3.18Å; L284-C287 PolarHBondContact O-N 3.48Å; L284-C288 WeakPolarHBondContact O-CB 3.16Å; L284-C288 PolarHBondContact O-N 2.84Å; L284-C288 PolarHBondContact O-SG 2.94Å; L284-C288 VanDerWaalsContact O-SG 3.38Å
285	V	94.5	Very high	89.9	Confident	83 Å²	83	100.9 Å²	100.9	50%	0.503	53%	0.527	S	S	.	.	H	α-helix	trans	-62.1	-47.1	174.7	170.5	0	0	0	0	110.7	S281 L282 C287 C288 L289	S281-V285 WeakPolarHBondContact O-CG2 3.48Å; S281-V285 PolarHBondContact O-N 3.2Å; L282-V285 PolarHBondContact O-N 2.94Å; V285-C287 PolarHBondContact O-N 2.94Å; V285-C288 WeakPolarHBondContact O-CB 3.45Å; V285-C288 PolarHBondContact O-N 2.78Å; V285-L289 HydrophobicContact CG1-CD1 4.01Å; V285-L289 HydrophobicContact CG1-CG 4.4Å; V285-L289 WeakPolarHBondContact O-CG 3.15Å; V285-L289 PolarHBondContact O-N 2.86Å
286	L	93.6	Very high	89.3	Confident	115 Å²	115	104.5 Å²	104.5	60%	0.602	53%	0.531	S	S	*	.	H	α-helix	trans	-61.1	-42.3	176.1	-72.8	168.1	0	0	0	112	L282 C288 L289 Y290	L282-L286 WeakPolarHBondContact O-CB 3.47Å; L282-L286 WeakPolarHBondContact O-CG 3.1Å; L282-L286 PolarHBondContact O-N 2.8Å; L286-C288 PolarHBondContact O-N 3.18Å; L286-L289 PolarHBondContact O-N 2.64Å; L286-Y290 WeakPolarHBondContact O-CB 2.99Å; L286-Y290 PolarHBondContact O-N 2.76Å
287	C	93.2	Very high	88	Confident	57 Å²	57	102.9 Å²	102.9	39%	0.385	52%	0.522	S	S	.	.	H	α-helix	trans	-62	-41	174.1	-175.2	0	0	0	0	112.1	S283 L284 V285 Y290 R291	S283-C287 VanDerWaalsContact O-CB 3.28Å; S283-C287 WeakPolarHBondContact O-CB 3.34Å; S283-C287 PolarHBondContact O-N 2.02Å; L284-C287 PolarHBondContact O-N 3.48Å; V285-C287 PolarHBondContact O-N 2.94Å; C287-Y290 PolarHBondContact O-N 2.76Å; C287-R291 WeakPolarHBondContact O-CB 3.07Å; C287-R291 WeakPolarHBondContact O-CG 3.43Å; C287-R291 PolarHBondContact O-N 3.48Å
288	C	90	Very high	86.5	Confident	76 Å²	76	101.7 Å²	101.7	51%	0.514	52%	0.516	S	S	.	.	H	α-helix	trans	-66.6	-39.6	175.2	-78.1	0	0	0	0	112.9	L284 V285 L286 R292	L284-C288 WeakPolarHBondContact O-CB 3.16Å; L284-C288 PolarHBondContact O-N 2.84Å; L284-C288 PolarHBondContact O-SG 2.94Å; L284-C288 VanDerWaalsContact O-SG 3.38Å; V285-C288 WeakPolarHBondContact O-CB 3.45Å; V285-C288 PolarHBondContact O-N 2.78Å; L286-C288 PolarHBondContact O-N 3.18Å; C288-R292 WeakPolarHBondContact O-CB 3.49Å; C288-R292 WeakPolarHBondContact O-CG 3.47Å; C288-R292 PolarHBondContact O-N 2.71Å
289	L	90.5	Very high	85	Confident	94 Å²	94	103.7 Å²	103.7	49%	0.492	52%	0.52	S	S	.	.	H	α-helix	trans	-65.4	-46.3	174	-70.1	172.1	0	0	0	111.1	V285 L286 R291 R292 Q293	V285-L289 HydrophobicContact CG1-CD1 4.01Å; V285-L289 HydrophobicContact CG1-CG 4.4Å; V285-L289 WeakPolarHBondContact O-CG 3.15Å; V285-L289 PolarHBondContact O-N 2.86Å; L286-L289 PolarHBondContact O-N 2.64Å; L289-R291 PolarHBondContact O-N 3.13Å; L289-R292 WeakPolarHBondContact O-CB 3.17Å; L289-R292 PolarHBondContact O-N 3.11Å; L289-Q293 PolarHBondContact O-N 3.04Å
290	Y	87	Confident	83.4	Confident	154 Å²	154	101.5 Å²	101.5	60%	0.604	51%	0.512	S	S	*	.	H	α-helix	trans	-61.5	-43.2	175.9	-173.6	-96.8	0	0	0	111.9	L286 C287 R292 Q293 H294	L286-Y290 WeakPolarHBondContact O-CB 2.99Å; L286-Y290 PolarHBondContact O-N 2.76Å; C287-Y290 PolarHBondContact O-N 2.76Å; Y290-R292 PolarHBondContact O-N 2.6Å; Y290-Q293 PolarHBondContact O-N 3.47Å; Y290-H294 WeakPolarHBondContact O-CB 3.19Å; Y290-H294 PolarHBondContact O-N 3.32Å
291	R	86.1	Confident	81.7	Confident	175 Å²	175	103.4 Å²	103.4	66%	0.66	52%	0.518	S	S	*	.	H	α-helix	trans	-62.2	-41.1	173.3	-77.7	-177.1	-179.9	-144.4	0.6	112.4	C287 L289 H294 V295	C287-R291 WeakPolarHBondContact O-CB 3.07Å; C287-R291 WeakPolarHBondContact O-CG 3.43Å; C287-R291 PolarHBondContact O-N 3.48Å; L289-R291 PolarHBondContact O-N 3.13Å; R291-H294 PolarHBondContact O-N 3.1Å; R291-V295 WeakPolarHBondContact O-CB 3.31Å; R291-V295 WeakPolarHBondContact O-CG2 3.25Å; R291-V295 PolarHBondContact O-N 3.13Å
292	R	82.6	Confident	79.7	Confident	191 Å²	191	109.8 Å²	109.8	72%	0.721	53%	0.533	S	S	*	.	H	α-helix	trans	-61.1	-46.5	174.1	-80.1	178.1	171.2	-168.6	-2.3	111.4	C288 L289 Y290 V295 F296	C288-R292 WeakPolarHBondContact O-CB 3.49Å; C288-R292 WeakPolarHBondContact O-CG 3.47Å; C288-R292 PolarHBondContact O-N 2.71Å; L289-R292 WeakPolarHBondContact O-CB 3.17Å; L289-R292 PolarHBondContact O-N 3.11Å; Y290-R292 PolarHBondContact O-N 2.6Å; R292-V295 PolarHBondContact O-N 2.66Å; R292-F296 WeakPolarHBondContact O-CB 3.06Å; R292-F296 PolarHBondContact O-N 2.99Å
293	Q	80.9	Confident	77.8	Confident	126 Å²	126	108.8 Å²	108.8	59%	0.589	53%	0.534	S	S	*	.	H	α-helix	trans	-62.3	-42.4	176.5	-172.8	176.2	0.8	0	0	111.9	L289 Y290 F296 L297	L289-Q293 PolarHBondContact O-N 3.04Å; Y290-Q293 PolarHBondContact O-N 3.47Å; Q293-F296 PolarHBondContact O-N 2.83Å; Q293-L297 HydrophobicContact CG-CD1 4.34Å; Q293-L297 WeakPolarHBondContact O-CG 3.48Å; Q293-L297 PolarHBondContact O-N 3.09Å
294	H	77.7	Confident	75.9	Confident	90 Å²	90	115 Å²	115	42%	0.417	56%	0.555	S	S	.	*	H	α-helix	trans	-66.1	-40.7	177.4	-166.3	-76.5	0	0	0	112.3	Y290 R291 L297 L298	Y290-H294 WeakPolarHBondContact O-CB 3.19Å; Y290-H294 PolarHBondContact O-N 3.32Å; R291-H294 PolarHBondContact O-N 3.1Å; H294-L297 PolarHBondContact O-N 2.86Å; H294-L298 WeakPolarHBondContact ND1-CD1 3.28Å; H294-L298 WeakPolarHBondContact O-CG 3.32Å; H294-L298 PolarHBondContact O-N 3.24Å
295	V	78.7	Confident	73.8	Confident	79 Å²	79	117.3 Å²	117.3	48%	0.479	56%	0.563	S	S	.	*	H	α-helix	trans	-64.7	-39.8	174	168.9	0	0	0	0	111.4	R291 R292 L298 Q299	R291-V295 WeakPolarHBondContact O-CB 3.31Å; R291-V295 WeakPolarHBondContact O-CG2 3.25Å; R291-V295 PolarHBondContact O-N 3.13Å; R292-V295 PolarHBondContact O-N 2.66Å; V295-L298 PolarHBondContact O-N 2.97Å; V295-Q299 WeakPolarHBondContact O-CG 3.4Å; V295-Q299 PolarHBondContact O-N 3.22Å
296	F	76.9	Confident	71.7	Confident	117 Å²	117	118.6 Å²	118.6	51%	0.513	57%	0.571	S	S	.	*	H	α-helix	trans	-62.6	-42.6	174.8	-178.8	-101.4	0	0	0	112.2	R292 Q293 Q299 Q300	R292-F296 WeakPolarHBondContact O-CB 3.06Å; R292-F296 PolarHBondContact O-N 2.99Å; Q293-F296 PolarHBondContact O-N 2.83Å; F296-Q299 WeakPolarHBondContact O-CB 3.37Å; F296-Q299 PolarHBondContact O-N 3.09Å; F296-Q300 HydrophobicContact CE1-CG 4.48Å; F296-Q300 VanDerWaalsContact CE1-NE2 3.28Å; F296-Q300 PolarHBondContact O-N 2.97Å
297	L	67.6	Low	69.2	Low	88 Å²	88	117.3 Å²	117.3	46%	0.461	58%	0.577	S	S	.	*	H	α-helix	trans	-65.2	-38.5	174.7	-69.7	168.5	0	0	0	112.3	Q293 H294 Q299 Q300 T301	Q293-L297 HydrophobicContact CG-CD1 4.34Å; Q293-L297 WeakPolarHBondContact O-CG 3.48Å; Q293-L297 PolarHBondContact O-N 3.09Å; H294-L297 PolarHBondContact O-N 2.86Å; L297-Q299 VanDerWaalsContact C-N 3.31Å; L297-Q299 PolarHBondContact O-N 2.8Å; L297-Q300 PolarHBondContact O-N 2.83Å; L297-T301 PolarHBondContact O-N 2.8Å; L297-T301 VanDerWaalsContact O-N 3.09Å
298	L	61.9	Low	66.7	Low	94 Å²	94	120.5 Å²	120.5	49%	0.492	60%	0.597	S	S	.	*	H	α-helix	trans	-66.6	-28.9	172.3	-71.9	175	0	0	0	113.1	H294 V295 T301 R302	H294-L298 WeakPolarHBondContact ND1-CD1 3.28Å; H294-L298 WeakPolarHBondContact O-CG 3.32Å; H294-L298 PolarHBondContact O-N 3.24Å; V295-L298 PolarHBondContact O-N 2.97Å; L298-T301 PolarHBondContact O-OG1 2.03Å; L298-T301 VanDerWaalsContact O-OG1 3.05Å; L298-R302 WeakPolarHBondContact O-CB 3.37Å; L298-R302 PolarHBondContact O-N 2.58Å
299	Q	62.4	Low	64.4	Low	124 Å²	124	122.2 Å²	122.2	58%	0.579	61%	0.61	S	S	*	*	H	α-helix	trans	-71	-37.6	171.6	-74.6	173.9	-23.7	0	0	111.5	V295 F296 L297 R302 S303	V295-Q299 WeakPolarHBondContact O-CG 3.4Å; V295-Q299 PolarHBondContact O-N 3.22Å; F296-Q299 WeakPolarHBondContact O-CB 3.37Å; F296-Q299 PolarHBondContact O-N 3.09Å; L297-Q299 VanDerWaalsContact C-N 3.31Å; L297-Q299 PolarHBondContact O-N 2.8Å; Q299-R302 PolarHBondContact O-N 3.32Å; Q299-S303 PolarHBondContact O-N 3.04Å
300	Q	59.7	Low	62	Low	96 Å²	96	125.1 Å²	125.1	45%	0.449	63%	0.626	S	S	.	*	H	α-helix	trans	-68.2	-30.3	175.3	-71	-169.6	-10.9	0	0	114.1	F296 L297 S303	F296-Q300 HydrophobicContact CE1-CG 4.48Å; F296-Q300 VanDerWaalsContact CE1-NE2 3.28Å; F296-Q300 PolarHBondContact O-N 2.97Å; L297-Q300 PolarHBondContact O-N 2.83Å; Q300-S303 PolarHBondContact O-OG 3.41Å
301	T	56.4	Low	60	Low	85 Å²	85	123.5 Å²	123.5	52%	0.521	63%	0.634	S	S	.	*	H	α-helix	trans	-75.2	-35.5	171.6	54.7	0	0	0	0	111.7	L297 L298 K304	L297-T301 PolarHBondContact O-N 2.8Å; L297-T301 VanDerWaalsContact O-N 3.09Å; L298-T301 PolarHBondContact O-OG1 2.03Å; L298-T301 VanDerWaalsContact O-OG1 3.05Å; T301-K304 PolarHBondContact O-N 2.86Å
302	R	53.6	Low	58.6	Low	195 Å²	195	120.6 Å²	120.6	74%	0.736	64%	0.638	S	S	*	*	H	α-helix	trans	-70	-37.7	179.3	-154.9	173.5	-166.6	175.9	3.6	113.3	L298 Q299 K304 Q305	L298-R302 WeakPolarHBondContact O-CB 3.37Å; L298-R302 PolarHBondContact O-N 2.58Å; Q299-R302 PolarHBondContact O-N 3.32Å; R302-K304 VanDerWaalsContact C-N 3.26Å; R302-K304 PolarHBondContact O-N 2.82Å; R302-Q305 PolarHBondContact O-N 2.78Å; R302-Q305 VanDerWaalsContact O-N 3.15Å
303	S	53.9	Low	56.4	Low	77 Å²	77	119.7 Å²	119.7	54%	0.538	65%	0.647	S	S	.	*	H	α-helix	trans	-67.8	-24.5	176.6	66.6	0	0	0	0	113.5	Q299 Q300 Q305 T306	Q299-S303 PolarHBondContact O-N 3.04Å; Q300-S303 PolarHBondContact O-OG 3.41Å; S303-Q305 PolarHBondContact O-N 3.15Å; S303-T306 PolarHBondContact O-N 2.62Å; S303-T306 PolarHBondContact O-OG1 2.63Å
304	K	52.5	Low	54.4	Low	180 Å²	180	120 Å²	120	78%	0.783	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-6.6	172.8	-73.7	-177.2	176	-177.9	0	114.4	T301 R302	T301-K304 PolarHBondContact O-N 2.86Å; R302-K304 VanDerWaalsContact C-N 3.26Å; R302-K304 PolarHBondContact O-N 2.82Å
305	Q	50.7	Low	52.5	Low	167 Å²	167	121.9 Å²	121.9	78%	0.78	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-1.4	175.9	-70.9	-175.3	-39.3	0	0	113.8	R302 S303	R302-Q305 PolarHBondContact O-N 2.78Å; R302-Q305 VanDerWaalsContact O-N 3.15Å; S303-Q305 PolarHBondContact O-N 3.15Å
306	T	48.9	Very low	50.4	Low	111 Å²	111	126.7 Å²	126.7	68%	0.681	68%	0.676	S	S	*	*			trans	-117.9	63.2	178.2	55.3	0	0	0	0	111.6	S303	S303-T306 PolarHBondContact O-N 2.62Å; S303-T306 PolarHBondContact O-OG1 2.63Å
307	A	41.2	Very low	48.6	Very low	87 Å²	87	128 Å²	128	72%	0.719	68%	0.681	S	S	*	*			trans	-127.5	93.6	168.9	0	0	0	0	0	109
308	P	42.5	Very low	47.3	Very low	124 Å²	124	130 Å²	130	81%	0.805	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-68.2	135.3	174.2	-15.3	30.4	0	0	0	110.4
309	S	40.7	Very low	46.2	Very low	113 Å²	113	130.9 Å²	130.9	79%	0.79	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-77.3	131.3	166.9	53.6	0	0	0	0	110.5
310	D	40.2	Very low	45.2	Very low	154 Å²	154	134 Å²	134	82%	0.824	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-59.9	149.5	175.1	-62.2	-58.3	0	0	0	113.3
311	P	44.5	Very low	44.4	Very low	121 Å²	121	135.2 Å²	135.2	79%	0.786	73%	0.726	S	S	*	*			trans	-111.4	132.9	139.5	33.6	-27.8	0	0	0	110.6
312	P	57.7	Low	43.6	Very low	114 Å²	114	139.1 Å²	139.1	74%	0.74	74%	0.743	S	S	*	*			trans	-92	149.6	-172.5	35.3	-35.4	0	0	0	113.5
313	L	36.2	Very low	43.1	Very low	172 Å²	172	135 Å²	135	90%	0.901	74%	0.739	S	S	*	*			trans	-165.3	81.7	147.6	-109.9	156.5	0	0	0	114.5
314	N	38.3	Very low	42.5	Very low	131 Å²	131	142.5 Å²	142.5	70%	0.701	76%	0.755	S	S	*	*				34.2	130.8	124.6	-101.6	-15.4	0	0	0	122.7
315	L	37.6	Very low	41.6	Very low	130 Å²	130	138.2 Å²	138.2	68%	0.681	75%	0.754	S	S	*	*				96.2	131.2	128.8	-70.5	166	0	0	0	122.9
316	Y	34.3	Very low	40.8	Very low	181 Å²	181	133.6 Å²	133.6	71%	0.71	75%	0.751	S	S	*	*			trans	71	143.2	156	-84.5	-127.9	0	0	0	118.3
317	K	40.4	Very low	40.8	Very low	144 Å²	144	134.6 Å²	134.6	63%	0.626	76%	0.759	S	S	*	*			cis	-172.9	158.2	-25.6	-128.4	-170.9	-161	166.5	0	108.9
318	V	40.3	Very low	40.7	Very low	131 Å²	131	134.6 Å²	134.6	79%	0.794	76%	0.759	S	S	*	*			trans	68.5	153.3	151.3	164.1	0	0	0	0	116.7
319	N	38.8	Very low	41.8	Very low	111 Å²	111	134 Å²	134	59%	0.594	76%	0.756	S	S	*	*			cis	178.8	144.9	-32.2	-177	17.5	0	0	0	107.3
320	Q	41.3	Very low	41.3	Very low	189 Å²	189	136.6 Å²	136.6	88%	0.883	76%	0.76	S	S	*	*			trans	-177.7	161.8	136	-101.9	166.2	35.4	0	0	112.6
321	N	41.9	Very low	41	Very low	123 Å²	123	137.3 Å²	137.3	66%	0.658	76%	0.758	S	S	*	*			trans	-122.8	154.1	-166	-55.6	-79.9	0	0	0	113
322	L	39.3	Very low	40.4	Very low	167 Å²	167	137.8 Å²	137.8	87%	0.874	76%	0.759	S	S	*	*			trans	-167.2	127.1	143.5	-93.7	139.8	0	0	0	106.8
323	V	43.5	Very low	39.2	Very low	107 Å²	107	138.3 Å²	138.3	65%	0.648	76%	0.76	S	S	*	*			cis	71.6	119.3	31.3	-173.1	0	0	0	0	110.7
324	R	42.3	Very low	39.3	Very low	235 Å²	235	136.9 Å²	136.9	89%	0.887	76%	0.758	S	S	*	*			cis	-156.3	-176.8	6.2	-133	172.4	-171.7	164.8	1.9	108.1
325	A	33.6	Very low	39.7	Very low	90 Å²	90	135.6 Å²	135.6	74%	0.744	76%	0.756	S	S	*	*			cis	-155.8	-165	5.9	0	0	0	0	0	111.3
326	G	32.9	Very low	39.4	Very low	70 Å²	70	134.3 Å²	134.3	72%	0.722	76%	0.758	S	S	*	*			trans	-108.9	-149.6	164	0	0	0	0	0	112
327	P	50.3	Low	39.3	Very low	133 Å²	133	132.3 Å²	132.3	86%	0.864	76%	0.76	S	S	*	*			cis	-136.1	-174.9	16.3	43.8	-26.1	0	0	0	116.4
328	A	39.2	Very low	38.9	Very low	86 Å²	86	131 Å²	131	71%	0.711	77%	0.769	S	S	*	*			trans	-98.9	-156.1	162.1	0	0	0	0	0	108.9
329	P	63.6	Low	38.5	Very low	113 Å²	113	135 Å²	135	73%	0.734	77%	0.77	S	S	*	*			cis	-138.1	-164.7	-6.6	44.6	-26.4	0	0	0	114
330	L	30.8	Very low	38.2	Very low	167 Å²	167	135.7 Å²	135.7	87%	0.874	78%	0.778	S	S	*	*				-164.6	160.9	126.9	-106.8	165.4	0	0	0	112.5
331	Q	34.6	Very low	37.8	Very low	169 Å²	169	132.1 Å²	132.1	79%	0.79	77%	0.769	S	S	*	*			trans	-127.7	-169.5	-176	-67.3	-179.2	-44.1	0	0	110.9
332	T	32	Very low	37.2	Very low	131 Å²	131	137.4 Å²	137.4	80%	0.804	78%	0.78	S	S	*	*			trans	113.6	146	156.7	67.6	0	0	0	0	115.7
333	V	33	Very low	36.8	Very low	125 Å²	125	133.5 Å²	133.5	76%	0.758	77%	0.767	S	S	*	*			cis	-155.2	162.9	-18.8	123.1	0	0	0	0	108.6
334	V	36.6	Very low	36.6	Very low	142 Å²	142	137.5 Å²	137.5	86%	0.861	78%	0.778	S	S	*	*			trans	-134.2	126.4	-176.4	174.6	0	0	0	0	112.6
335	P	47.4	Very low	36.1	Very low	103 Å²	103	133.7 Å²	133.7	67%	0.669	77%	0.774	S	S	*	*			trans	-148.2	163	145	39.5	-23	0	0	0	117.2
336	S	31.6	Very low	36.3	Very low	103 Å²	103	140.1 Å²	140.1	72%	0.72	78%	0.779	S	S	*	*			trans	64.1	106.4	137.9	62.3	0	0	0	0	124.2
337	D	32.2	Very low	36.5	Very low	139 Å²	139	147.4 Å²	147.4	74%	0.743	79%	0.785	S	S	*	*				57.9	124.7	100.7	-165.8	22.4	0	0	0	121.4
338	S	30.9	Very low	35.7	Very low	117 Å²	117	144.8 Å²	144.8	82%	0.818	77%	0.774	S	S	*	*			trans	-175.5	174.3	140.6	40.1	0	0	0	0	111.9
339	R	33.4	Very low	35.5	Very low	214 Å²	214	148.2 Å²	148.2	81%	0.808	78%	0.78	S	S	*	*			trans	-119.7	175.5	-163.1	-50	178	-170.8	-175.8	2.2	113.7
340	T	33	Very low	34.3	Very low	126 Å²	126	146 Å²	146	77%	0.773	78%	0.778	S	S	*	*			trans	67	107.7	157.1	41.7	0	0	0	0	117.6
341	V	31	Very low	34.8	Very low	115 Å²	115	143.1 Å²	143.1	70%	0.697	78%	0.778	S	S	*	*				77.1	117	82.3	170.8	0	0	0	0	113.6
342	W	29.4	Very low	35	Very low	233 Å²	233	141 Å²	141	88%	0.883	78%	0.782	S	S	*	*				-179.9	146.9	121.8	-99.7	106.4	0	0	0	114.7
343	S	32.4	Very low	35.1	Very low	86 Å²	86	138 Å²	138	60%	0.601	78%	0.778	S	S	*	*			trans	24.2	123.6	158	55.5	0	0	0	0	123.2
344	Q	37.9	Very low	35.4	Very low	190 Å²	190	139.9 Å²	139.9	89%	0.888	78%	0.784	S	S	*	*				10	139	119.1	-65.9	174.1	-29	0	0	119.6
345	I	31.7	Very low	37	Very low	155 Å²	155	138 Å²	138	80%	0.795	78%	0.775	S	S	*	*			trans	-102.1	139.5	166.9	-74.1	175.9	0	0	0	111.1
346	R	37.7	Very low	36.4	Very low	225 Å²	225	139.9 Å²	139.9	85%	0.849	78%	0.779	S	S	*	*			trans	-84.4	159.3	176.4	-65.5	169.5	-80.3	155.5	-7	112.9
347	R	37	Very low	36.4	Very low	224 Å²	224	145.8 Å²	145.8	85%	0.845	79%	0.785	S	S	*	*			trans	154	156.5	144.7	-91.1	-179.1	-108.7	109.1	-5.1	108.9
348	A	35.1	Very low	36.7	Very low	77 Å²	77	147.6 Å²	147.6	64%	0.636	79%	0.79	S	S	*	*			cis	-169.3	173.5	-9.2	0	0	0	0	0	106.9
349	D	34.7	Very low	38.7	Very low	158 Å²	158	146.5 Å²	146.5	85%	0.845	78%	0.78	S	S	*	*			cis	-172.1	167.8	-35.1	-78.2	-34.3	0	0	0	103.5
350	G	37.2	Very low	38.5	Very low	66 Å²	66	142 Å²	142	68%	0.68	78%	0.781	S	S	*	*			cis	154.1	145.8	8.2	0	0	0	0	0	109.5
351	A	42.7	Very low	38.5	Very low	107 Å²	107	140.2 Å²	140.2	88%	0.884	78%	0.779	S	S	*	*			trans	62.9	163.9	164.7	0	0	0	0	0	118.6
352	S	38.8	Very low	38.4	Very low	124 Å²	124	146 Å²	146	87%	0.867	79%	0.789	S	S	*	*			cis	-155.7	167.2	-0.4	45.8	0	0	0	0	108.6
353	G	33.4	Very low	38.3	Very low	70 Å²	70	143.3 Å²	143.3	72%	0.722	79%	0.788	S	S	*	*			cis	178.9	151.6	1.1	0	0	0	0	0	109.6
354	D	38.4	Very low	38.2	Very low	163 Å²	163	144.8 Å²	144.8	87%	0.872	80%	0.798	S	S	*	*				102.8	172.2	105.9	-132.3	24.3	0	0	0	112.1
355	P	70.1	Confident	37.9	Very low	104 Å²	104	141.4 Å²	141.4	68%	0.675	79%	0.791	S	S	*	*				-133.3	173.4	-113.9	40.4	-21.8	0	0	0	116.8
356	D	36.8	Very low	37.7	Very low	142 Å²	142	144.2 Å²	144.2	76%	0.759	80%	0.797	S	S	*	*				-178.6	157.6	124.6	-131.8	-19.5	0	0	0	117
357	R	29.9	Very low	37.5	Very low	226 Å²	226	141.8 Å²	141.8	85%	0.853	80%	0.796	S	S	*	*			trans	73.7	157.1	153.1	-98	-179.5	172.5	121.1	-0.7	125.3
358	E	38.9	Very low	37.4	Very low	178 Å²	178	137.5 Å²	137.5	83%	0.832	79%	0.789	S	S	*	*			trans	-150.9	-170.5	-166.4	-148.4	-144.4	-179.3	0	0	111
359	P	72.8	Confident	37.3	Very low	94 Å²	94	138 Å²	138	61%	0.61	79%	0.788	S	S	*	*				-116.4	-179.6	-94.7	40.4	-26.2	0	0	0	116.8
360	S	30.2	Very low	37.2	Very low	118 Å²	118	138 Å²	138	83%	0.825	78%	0.783	S	S	*	*			trans	-162.9	121	152.5	-99.4	0	0	0	0	119
361	A	32.5	Very low	37.2	Very low	90 Å²	90	144.5 Å²	144.5	74%	0.744	79%	0.787	S	S	*	*				77.1	141.8	121.9	0	0	0	0	0	125.4
362	R	29.5	Very low	36.6	Very low	237 Å²	237	148.9 Å²	148.9	89%	0.894	78%	0.782	S	S	*	*			trans	83.4	87	148.2	-76.5	177.9	179.6	-177.5	0.5	123
363	M	26.7	Very low	36.3	Very low	175 Å²	175	152.6 Å²	152.6	86%	0.862	78%	0.777	S	S	*	*				19	123.7	105.8	-174.4	126.1	86	0	0	120.2
364	S	29.4	Very low	36.3	Very low	118 Å²	118	154 Å²	154	83%	0.825	77%	0.772	S	S	*	*				-153.9	162.1	129.6	70.8	0	0	0	0	111
365	T	32	Very low	36.3	Very low	119 Å²	119	153.1 Å²	153.1	73%	0.73	77%	0.767	S	S	*	*			trans	-137.5	154.6	-173.7	52.1	0	0	0	0	111.5
366	F	28	Very low	34.5	Very low	213 Å²	213	156.6 Å²	156.6	93%	0.934	78%	0.779	S	S	*	*			trans	-147.3	147.2	154.7	-114.6	-81.9	0	0	0	112.6
367	H	34	Very low	34.4	Very low	175 Å²	175	159 Å²	159	81%	0.81	78%	0.782	S	S	*	*			trans	-85.2	171.8	174.6	-77.9	-40.7	0	0	0	110.5
368	N	33.3	Very low	35.7	Very low	134 Å²	134	153 Å²	153	72%	0.717	77%	0.773	S	S	*	*			cis	-167.9	154.9	38.7	-156.4	12.2	0	0	0	115.5
369	S	33.6	Very low	36.2	Very low	86 Å²	86	150.9 Å²	150.9	60%	0.601	78%	0.775	S	S	*	*			trans	51.7	136.8	138.4	62.6	0	0	0	0	122.6
370	Q	33.2	Very low	34.3	Very low	158 Å²	158	151.3 Å²	151.3	74%	0.738	79%	0.786	S	S	*	*			cis	-145.1	147.4	-1	-64.7	-151.4	22.9	0	0	109.1
371	R	36	Very low	34.4	Very low	203 Å²	203	154.8 Å²	154.8	77%	0.766	79%	0.786	S	S	*	*				44.8	139.5	84.8	-56	-174.8	-177.7	-179.4	2.8	115
372	Y	30.4	Very low	35	Very low	200 Å²	200	156.6 Å²	156.6	78%	0.784	79%	0.791	S	S	*	*			cis	-115.9	159.3	19.2	-75.9	-112.6	0	0	0	112.2
373	R	34.1	Very low	35.1	Very low	202 Å²	202	150.9 Å²	150.9	76%	0.762	79%	0.787	S	S	*	*			cis	71.2	133.3	40.6	-84.5	-146	172.1	169.1	-3.3	115.3
374	T	32.9	Very low	35.4	Very low	100 Å²	100	146.4 Å²	146.4	61%	0.613	78%	0.777	S	S	*	*			cis	-165.1	149.9	-15.1	7.5	0	0	0	0	109.3
375	D	38.6	Very low	35.4	Very low	144 Å²	144	148.4 Å²	148.4	77%	0.77	78%	0.778	S	S	*	*			trans	15.6	140.9	148.9	-43.4	-36.1	0	0	0	122.1
376	L	31.8	Very low	35.3	Very low	177 Å²	177	154 Å²	154	93%	0.927	79%	0.786	S	S	*	*				-162.5	158.7	119.7	-106.4	166.4	0	0	0	112.4
377	K	34.1	Very low	35.3	Very low	191 Å²	191	147 Å²	147	83%	0.83	77%	0.774	S	S	*	*			trans	-123	-174.6	-176.2	-146.3	-165.2	174.1	175.8	0	110.5
378	P	58.6	Low	35	Very low	102 Å²	102	147.1 Å²	147.1	66%	0.662	78%	0.78	S	S	*	*				-97.2	-175.7	-121	42.8	-27.5	0	0	0	114.6
379	P	47.8	Very low	34.9	Very low	133 Å²	133	145.7 Å²	145.7	86%	0.864	78%	0.78	S	S	*	*			trans	-122	-176.4	144.9	34.8	-22.6	0	0	0	113.2
380	A	32.8	Very low	34.6	Very low	102 Å²	102	151.1 Å²	151.1	84%	0.843	80%	0.796	S	S	*	*			trans	-115.9	-176.7	-160.8	0	0	0	0	0	115.6
381	K	33.8	Very low	34.6	Very low	192 Å²	192	153.2 Å²	153.2	84%	0.835	81%	0.806	S	S	*	*			trans	-62.6	169.1	178.3	-61.6	-178	176.1	-178.1	0	113.9
382	P	43.6	Very low	34.2	Very low	128 Å²	128	147.4 Å²	147.4	83%	0.831	81%	0.809	S	S	*	*				-129.5	175	110.4	38.1	-32.6	0	0	0	115.5
383	S	33.4	Very low	34.2	Very low	117 Å²	117	143.7 Å²	143.7	82%	0.818	81%	0.812	S	S	*	*			trans	-87.4	-175.9	177.9	-42.3	0	0	0	0	111.5
384	A	32.2	Very low	33.8	Very low	80 Å²	80	140.3 Å²	140.3	66%	0.661	82%	0.818	S	S	*	*			cis	-150.3	162.9	4.4	0	0	0	0	0	109.1
385	L	28.6	Very low	33.5	Very low	161 Å²	161	140.3 Å²	140.3	84%	0.843	83%	0.829	S	S	*	*				178.2	-166.8	91.7	-84.9	170.8	0	0	0	109.1
386	R	30.8	Very low	33.3	Very low	236 Å²	236	138.6 Å²	138.6	89%	0.891	83%	0.834	S	S	*	*				-168.8	124.7	-86.8	173.2	-178.4	-116.5	-126.1	-1.5	110.6
387	G	27.1	Very low	33.1	Very low	67 Å²	67	135 Å²	135	69%	0.691	83%	0.83	S	S	*	*			trans	106.8	147.6	167	0	0	0	0	0	114.4
388	L	29.1	Very low	33	Very low	177 Å²	177	133.3 Å²	133.3	93%	0.927	83%	0.83	S	S	*	*			cis	-143.6	167.9	-7.6	-96.4	173.4	0	0	0	110.2
389	S	29.8	Very low	31.5	Very low	104 Å²	104	131.9 Å²	131.9	73%	0.727	83%	0.834	S	S	*	*			trans	-94.4	156.2	179.4	52.4	0	0	0	0	112.7
390	E	27.7	Very low	30.6	Very low	200 Å²	200	136 Å²	136	94%	0.935	83%	0.833	S	S	*	*			trans	-149.3	161.3	146.4	-130	158.7	-144.7	0	0	111.5
391	E	33.3	Very low	30.2	Very low	201 Å²	201	140.1 Å²	140.1	94%	0.939	83%	0.831	S	S	*	*			trans	-99.6	162.1	-169	-58.3	-177.9	137.3	0	0	112.2
392	G	27.5	Very low	30	Very low	81 Å²	81	141.1 Å²	141.1	84%	0.835	83%	0.83	S	S	*	*			trans	-164.9	70	-177.4	0	0	0	0	0	114.5
393	S	30.6	Very low	29.2	Very low	122 Å²	122	138.8 Å²	138.8	85%	0.853	83%	0.829	S	S	*	*			trans	-87.8	137.9	167.7	-165.3	0	0	0	0	110.3
394	C	25.1	Very low	28.9	Very low	131 Å²	131	139.1 Å²	139.1	89%	0.885	83%	0.831	S	S	*	*			trans	-131.7	132.3	169.5	-85.7	0	0	0	0	110.4
395	A	27.8	Very low	28.7	Very low	101 Å²	101	140.3 Å²	140.3	84%	0.835	84%	0.835	S	S	*	*			trans	-100.5	176.6	-179.1	0	0	0	0	0	111.9
396	A	33.8	Very low	28.7	Very low	108 Å²	108	143.9 Å²	143.9	89%	0.893	84%	0.837	S	S	*	*			trans	-65	154	179.3	0	0	0	0	0	113.7
397	A	28.4	Very low	28.6	Very low	102 Å²	102	139.7 Å²	139.7	84%	0.843	83%	0.831	S	S	*	*			trans	-130.7	126.3	164	0	0	0	0	0	109.7
398	D	30.5	Very low	28.7	Very low	154 Å²	154	141.5 Å²	141.5	82%	0.824	83%	0.833	S	S	*	*			trans	-81.2	151.8	172.4	-173.5	4.9	0	0	0	110
399	G	27.1	Very low	28.8	Very low	72 Å²	72	141.4 Å²	141.4	74%	0.742	83%	0.828	S	S	*	*			trans	-156.8	35.8	-156.9	0	0	0	0	0	116.7
400	R	30.3	Very low	28.7	Very low	221 Å²	221	144.5 Å²	144.5	83%	0.834	84%	0.836	S	S	*	*			trans	-57	139	166.8	-63.4	178.3	177.6	-171.3	-2.5	111
401	F	24.2	Very low	28.7	Very low	187 Å²	187	140 Å²	140	82%	0.82	83%	0.827	S	S	*	*				-158.2	172.4	124.2	-129.9	-104.1	0	0	0	114
402	R	28.8	Very low	28.4	Very low	214 Å²	214	140.8 Å²	140.8	81%	0.808	83%	0.827	S	S	*	*			trans	-70.3	149.6	-163.7	-55.7	169.2	-177.5	-169.5	-3.2	114.4
403	G	27.1	Very low	28.4	Very low	79 Å²	79	143.4 Å²	143.4	81%	0.814	82%	0.822	S	S	*	*			trans	-82.9	-172.6	163.9	0	0	0	0	0	113.9
404	S	28.1	Very low	28.4	Very low	123 Å²	123	143.3 Å²	143.3	86%	0.86	82%	0.822	S	S	*	*			trans	-153.7	148.6	174.9	-168.6	0	0	0	0	110.9
405	S	28.2	Very low	28.6	Very low	105 Å²	105	141.8 Å²	141.8	73%	0.734	81%	0.812	S	S	*	*			trans	-113.6	133.1	-170.2	-48.8	0	0	0	0	113.2
406	R	27.7	Very low	28.7	Very low	237 Å²	237	141.7 Å²	141.7	89%	0.894	81%	0.806	S	S	*	*			trans	-148.6	132.2	156.7	-58.7	-173.3	-174.5	-178.4	1.7	105.9
407	I	29.7	Very low	28.4	Very low	147 Å²	147	142.9 Å²	142.9	75%	0.754	80%	0.802	S	S	*	*			cis	73.9	85	29	-47.2	-178.1	0	0	0	113.6
408	S	28	Very low	28.4	Very low	106 Å²	106	142.5 Å²	142.5	74%	0.741	79%	0.793	S	S	*	*			trans	-173.7	103.2	152.8	49.7	0	0	0	0	103
409	E	30.4	Very low	28.3	Very low	174 Å²	174	140.6 Å²	140.6	81%	0.813	79%	0.792	S	S	*	*				42.8	91.6	56.2	-71.5	-167.4	139.9	0	0	111.6
410	D	28.7	Very low	28.3	Very low	170 Å²	170	140.4 Å²	140.4	91%	0.909	79%	0.79	S	S	*	*			trans	-145.8	146.2	131.3	-121.7	-32.5	0	0	0	108.7
411	S	27	Very low	28.3	Very low	104 Å²	104	139.2 Å²	139.2	73%	0.727	79%	0.794	S	S	*	*			trans	-119.7	143.4	-170.9	-62.7	0	0	0	0	110.8
412	F	28.4	Very low	28.3	Very low	218 Å²	218	135.8 Å²	135.8	96%	0.956	79%	0.792	S	S	*	*			trans	-136	124.3	160.4	-121.9	-84.8	0	0	0	111.5
413	D	27.7	Very low	28.2	Very low	136 Å²	136	135.9 Å²	135.9	73%	0.727	79%	0.794	S	S	*	*			trans	-99.3	141	-172.8	-146.6	-31.4	0	0	0	110.2	S415	D413-S415 PolarHBondContact OD1-N 2.73Å
414	S	30.4	Very low	28.2	Very low	121 Å²	121	139 Å²	139	85%	0.846	79%	0.787	S	S	*	*			trans	-153.4	63.5	163.7	69.2	0	0	0	0	110.5
415	S	28.5	Very low	28.4	Very low	98 Å²	98	140 Å²	140	69%	0.685	78%	0.783	S	S	*	*			trans	-59.9	147.6	170.5	67.7	0	0	0	0	113	D413	D413-S415 PolarHBondContact OD1-N 2.73Å
416	S	28.9	Very low	28.3	Very low	100 Å²	100	141.6 Å²	141.6	70%	0.699	79%	0.788	S	S	*	*			trans	-171.1	119.3	130.9	54.3	0	0	0	0	113.8
417	T	29	Very low	28.6	Very low	133 Å²	133	136.4 Å²	136.4	82%	0.816	78%	0.783	S	S	*	*			trans	61.2	141.5	142.3	51.9	0	0	0	0	121.1
418	S	27.8	Very low	29	Very low	94 Å²	94	135.4 Å²	135.4	66%	0.657	79%	0.786	S	S	*	*			cis	-171.4	155	-3.8	44.3	0	0	0	0	112.7
419	S	28.2	Very low	29	Very low	114 Å²	114	135.3 Å²	135.3	80%	0.797	79%	0.785	S	S	*	*			trans	59.5	142	159.2	48.2	0	0	0	0	118.1
420	G	27.8	Very low	29.1	Very low	68 Å²	68	134.3 Å²	134.3	70%	0.701	78%	0.781	S	S	*	*			cis	100.1	136.5	21.5	0	0	0	0	0	110.3
421	E	30.3	Very low	29	Very low	196 Å²	196	134.2 Å²	134.2	92%	0.916	78%	0.78	S	S	*	*			cis	-147.2	-167	2.3	-76.3	-173	102	0	0	110.8
422	C	24.3	Very low	29.2	Very low	115 Å²	115	135.4 Å²	135.4	78%	0.777	78%	0.777	S	S	*	*			trans	-68.4	165.4	-176.1	-49.8	0	0	0	0	115.3
423	Y	25.9	Very low	29.3	Very low	215 Å²	215	131.1 Å²	131.1	84%	0.843	77%	0.769	S	S	*	*				-169.5	-171.7	115.2	-113.6	-79.6	0	0	0	112.7
424	E	28.4	Very low	29.4	Very low	146 Å²	146	135.5 Å²	135.5	68%	0.682	78%	0.776	S	S	*	*			trans	-99.1	164.7	-154.2	-63.6	171.4	94.6	0	0	117.4
425	N	30.8	Very low	29.4	Very low	142 Å²	142	134.7 Å²	134.7	76%	0.759	77%	0.77	S	S	*	*			trans	17.1	135.1	145.3	-63.1	-46.1	0	0	0	121.1
426	V	27.3	Very low	29.3	Very low	140 Å²	140	132.9 Å²	132.9	85%	0.848	77%	0.767	S	S	*	*				164.3	141.4	116.9	155.3	0	0	0	0	110.4
427	T	32.3	Very low	29.3	Very low	127 Å²	127	140.1 Å²	140.1	78%	0.779	78%	0.779	S	S	*	*			trans	-85	160.7	173.5	55.8	0	0	0	0	112
428	P	38.6	Very low	29.3	Very low	126 Å²	126	138.6 Å²	138.6	82%	0.818	77%	0.774	S	S	*	*				-140.7	162.7	112	37.1	-25.5	0	0	0	114.9
429	S	27.7	Very low	29.5	Very low	104 Å²	104	145.1 Å²	145.1	73%	0.727	78%	0.784	S	S	*	*			trans	-90.3	148	170.3	173.7	0	0	0	0	110.8
430	Q	33.9	Very low	29.6	Very low	154 Å²	154	143.8 Å²	143.8	72%	0.72	78%	0.775	S	S	*	*				172.4	139.9	115.5	-94.3	177	46.1	0	0	113.3
431	N	26.4	Very low	29.9	Very low	167 Å²	167	147.9 Å²	147.9	89%	0.893	78%	0.776	S	S	*	*				-153	133.8	121.5	-118.8	-28.5	0	0	0	111.1
432	L	30.4	Very low	30.1	Very low	129 Å²	129	146.2 Å²	146.2	68%	0.675	77%	0.768	S	S	*	*			trans	-110	145.5	178	-77.2	153.2	0	0	0	108.6
433	T	30.6	Very low	30.5	Very low	128 Å²	128	147.8 Å²	147.8	79%	0.785	77%	0.768	S	S	*	*				164	161.4	101.6	38.5	0	0	0	0	106.8
434	R	29.5	Very low	30.6	Very low	229 Å²	229	145.7 Å²	145.7	86%	0.864	77%	0.771	S	S	*	*			cis	-163.1	164.5	6.6	-121.7	-177.1	-177.9	-175.7	0.9	104.8
435	S	30.6	Very low	30.7	Very low	103 Å²	103	144.6 Å²	144.6	72%	0.72	78%	0.775	S	S	*	*			cis	-174.2	159.4	-15.9	31.8	0	0	0	0	106.4
436	G	27.2	Very low	30.6	Very low	61 Å²	61	143.5 Å²	143.5	63%	0.629	78%	0.778	S	S	*	*			cis	167.1	-171.2	1.7	0	0	0	0	0	110.3
437	W	29.4	Very low	30.9	Very low	252 Å²	252	145.6 Å²	145.6	96%	0.955	78%	0.778	S	S	*	*			trans	47.4	128.8	154.6	-67.9	58.7	0	0	0	119.3
438	S	27.2	Very low	32.2	Very low	100 Å²	100	145.6 Å²	145.6	70%	0.699	78%	0.78	S	S	*	*			cis	-164.8	154.2	6.8	52.9	0	0	0	0	113.7
439	R	33.5	Very low	31.7	Very low	232 Å²	232	143.2 Å²	143.2	88%	0.875	78%	0.779	S	S	*	*			trans	6.5	148.9	141.8	-81.2	-177.1	-178.4	-162.7	0.2	119.5
440	S	30.1	Very low	32	Very low	86 Å²	86	146.7 Å²	146.7	60%	0.601	78%	0.784	S	S	*	*			cis	-159.7	163.7	24.4	-119.9	0	0	0	0	114.6
441	Q	33.5	Very low	31.8	Very low	154 Å²	154	145.9 Å²	145.9	72%	0.72	78%	0.784	S	S	*	*			trans	6.3	150.4	139.5	-67.3	177.4	-37.6	0	0	120
442	Q	34.4	Very low	32.1	Very low	160 Å²	160	146.2 Å²	146.2	75%	0.748	78%	0.781	S	S	*	*			cis	-161.8	175.2	8.8	-127.2	161.2	-5.7	0	0	112.8
443	N	32.6	Very low	32.2	Very low	148 Å²	148	145.2 Å²	145.2	79%	0.791	79%	0.791	S	S	*	*			trans	-47.2	155.5	177.1	-51.6	-1.7	0	0	0	116
444	L	28.2	Very low	32.1	Very low	171 Å²	171	143 Å²	143	90%	0.895	79%	0.793	S	S	*	*				-159.6	168.4	126	-109.3	166	0	0	0	112.5
445	T	31	Very low	32.4	Very low	124 Å²	124	139.8 Å²	139.8	76%	0.761	79%	0.793	S	S	*	*			trans	-102	144.4	-165.7	50.4	0	0	0	0	114.3
446	S	27.6	Very low	33.8	Very low	119 Å²	119	140.1 Å²	140.1	83%	0.832	79%	0.793	S	S	*	*			trans	-179.6	128.6	138.9	56.6	0	0	0	0	114.6
447	E	34.7	Very low	35.3	Very low	183 Å²	183	142.5 Å²	142.5	86%	0.855	80%	0.797	S	S	*	*			trans	-86.3	-179.9	144.3	-60.5	-172.9	112	0	0	109.5
448	P	59.3	Low	36.6	Very low	127 Å²	127	135 Å²	135	83%	0.825	78%	0.782	S	S	*	*			cis	-123	-177.3	-19.1	19.4	4.3	0	0	0	112.2
449	G	28.3	Very low	36.8	Very low	77 Å²	77	139.9 Å²	139.9	79%	0.794	79%	0.786	S	S	*	*			trans	-158.1	134.3	170.2	0	0	0	0	0	113.6
450	Q	33.3	Very low	36.7	Very low	177 Å²	177	134.3 Å²	134.3	83%	0.827	78%	0.778	S	S	*	*			trans	-110.2	173.1	-175.3	-61.6	-179.7	-67.2	0	0	113.1
451	N	29.3	Very low	36.8	Very low	136 Å²	136	138.3 Å²	138.3	73%	0.727	79%	0.792	S	S	*	*			trans	90.2	148.8	159.6	-53.2	-33.4	0	0	0	118.1
452	Q	33.3	Very low	36.8	Very low	175 Å²	175	136.8 Å²	136.8	82%	0.818	79%	0.794	S	S	*	*			cis	-175.5	149.4	-41.2	-119.1	-177.1	20.6	0	0	109.5
453	A	31.8	Very low	36.6	Very low	107 Å²	107	132.4 Å²	132.4	88%	0.884	79%	0.792	S	S	*	*			trans	61.2	134.3	154.5	0	0	0	0	0	121.7
454	G	29.3	Very low	36.4	Very low	81 Å²	81	135.2 Å²	135.2	84%	0.835	80%	0.797	S	S	*	*			trans	166	80.9	168.5	0	0	0	0	0	116
455	N	34.7	Very low	36.6	Very low	162 Å²	162	134.6 Å²	134.6	87%	0.866	79%	0.79	S	S	*	*			trans	-115.7	171.3	173.7	-86.9	-17.6	0	0	0	110.1
456	P	61.6	Low	36.6	Very low	111 Å²	111	137 Å²	137	72%	0.721	79%	0.79	S	S	*	*			cis	-126	-133	-43.9	38.9	-19.5	0	0	0	107.3
457	P	57.2	Low	37.2	Very low	110 Å²	110	135.5 Å²	135.5	71%	0.714	78%	0.784	S	S	*	*			cis	-121.5	-135.2	-38	33.9	-11.1	0	0	0	109.1
458	P	57.9	Low	37	Very low	96 Å²	96	135.5 Å²	135.5	62%	0.623	79%	0.79	S	S	*	*				-120	-164.6	-50.1	23.7	-0.7	0	0	0	113.5
459	Y	31	Very low	35.6	Very low	201 Å²	201	133 Å²	133	79%	0.788	79%	0.787	S	S	*	*			trans	105.2	102.9	155.1	-73.6	-69.6	0	0	0	121.2
460	T	32.4	Very low	35.8	Very low	115 Å²	115	132.7 Å²	132.7	71%	0.706	78%	0.784	S	S	*	*			trans	35.1	120.7	132.3	55.7	0	0	0	0	120.5
461	N	30.8	Very low	35.7	Very low	170 Å²	170	134.8 Å²	134.8	91%	0.909	79%	0.79	S	S	*	*			trans	-111.5	134.5	157.9	-152.5	-8	0	0	0	108.9
462	T	34.8	Very low	35.8	Very low	123 Å²	123	131.9 Å²	131.9	76%	0.755	79%	0.792	S	S	*	*			trans	-146.9	131.3	-172.7	51	0	0	0	0	111.9
463	G	28.8	Very low	35.7	Very low	68 Å²	68	128.6 Å²	128.6	70%	0.701	80%	0.795	S	S	*	*			trans	138.7	61.5	178.5	0	0	0	0	0	113.1
464	F	29.2	Very low	35.9	Very low	207 Å²	207	132.4 Å²	132.4	91%	0.908	79%	0.794	S	S	*	*				79.3	137.8	92.6	-101.1	-86.7	0	0	0	116.7
465	Q	32.7	Very low	37	Very low	157 Å²	157	133.4 Å²	133.4	73%	0.734	79%	0.786	S	S	*	*			trans	-100.9	-178.3	174.2	-67.6	173.5	-72.2	0	0	111.9
466	F	31.2	Very low	37.1	Very low	176 Å²	176	130.7 Å²	130.7	77%	0.772	78%	0.78	S	S	*	*			trans	92.2	89.2	157.8	-65.7	-74	0	0	0	120.5
467	A	39.6	Very low	35.9	Very low	86 Å²	86	130.9 Å²	130.9	71%	0.711	78%	0.784	S	S	*	*				43.5	120	108.7	0	0	0	0	0	121.6
468	L	30.7	Very low	34.7	Very low	184 Å²	184	129 Å²	129	96%	0.963	78%	0.784	S	S	*	*			trans	-150.1	163.3	144.4	-75.2	-173.5	0	0	0	107.3
469	G	29.6	Very low	34	Very low	74 Å²	74	131.3 Å²	131.3	76%	0.763	79%	0.791	S	S	*	*			cis	167.3	29.6	0.2	0	0	0	0	0	117
470	G	31.4	Very low	34.3	Very low	71 Å²	71	128.6 Å²	128.6	73%	0.732	79%	0.791	S	S	*	*			trans	88.3	172.8	159.8	0	0	0	0	0	120
471	K	32.7	Very low	34.5	Very low	221 Å²	221	131 Å²	131	96%	0.961	79%	0.794	S	S	*	*			trans	72.5	131.8	-171.8	-54.7	177.8	-179.6	178.2	0	115
472	G	31.2	Very low	34.7	Very low	74 Å²	74	130.1 Å²	130.1	76%	0.763	79%	0.789	S	S	*	*			cis	164.6	174.5	-7.7	0	0	0	0	0	113
473	A	31.4	Very low	34.9	Very low	107 Å²	107	131.3 Å²	131.3	88%	0.884	79%	0.791	S	S	*	*			trans	83.6	104.8	176.4	0	0	0	0	0	118.4
474	E	36.6	Very low	35.1	Very low	187 Å²	187	138 Å²	138	87%	0.874	80%	0.796	S	S	*	*			trans	-77.3	-179.3	147.6	-107.8	-178.8	172.5	0	0	110
475	P	52.1	Low	35.4	Very low	102 Å²	102	133.6 Å²	133.6	66%	0.662	79%	0.79	S	S	*	*			cis	-145.3	176.6	26	40.9	-20.4	0	0	0	118.9
476	S	36.2	Very low	36.3	Very low	104 Å²	104	131.1 Å²	131.1	73%	0.727	79%	0.787	S	S	*	*			trans	63.5	154.3	143.9	62.8	0	0	0	0	120.3
477	S	36.8	Very low	36.7	Very low	115 Å²	115	129 Å²	129	80%	0.804	79%	0.789	S	S	*	*			cis	-173.8	156.4	-21	50.3	0	0	0	0	107.9
478	G	30.9	Very low	36.8	Very low	71 Å²	71	130.3 Å²	130.3	73%	0.732	79%	0.793	S	S	*	*			trans	-179.6	126.7	171	0	0	0	0	0	112.6
479	D	44.6	Very low	38.1	Very low	144 Å²	144	126.8 Å²	126.8	77%	0.77	78%	0.781	S	S	*	*			trans	-107.1	-156.4	178.9	-59.3	-79.1	0	0	0	109.9
480	D	36	Very low	38.7	Very low	145 Å²	145	134.4 Å²	134.4	78%	0.775	80%	0.804	S	S	*	*			trans	73	144.4	173.5	-45	-31.4	0	0	0	116.1
481	E	36	Very low	39.1	Very low	166 Å²	166	137.6 Å²	137.6	78%	0.776	81%	0.808	S	S	*	*			cis	-158.8	144.5	-10.8	-121.3	178.3	162.3	0	0	110.6
482	D	36.5	Very low	39.4	Very low	151 Å²	151	133.2 Å²	133.2	81%	0.807	80%	0.8	S	S	*	*			trans	41.3	158.5	140.7	-70.8	10.7	0	0	0	127.4
483	D	37.9	Very low	39.9	Very low	147 Å²	147	136.5 Å²	136.5	79%	0.786	80%	0.802	S	S	*	*			trans	-35.2	147.6	172.9	-89.3	-46.4	0	0	0	118.8
484	Y	34.2	Very low	40.4	Very low	209 Å²	209	138.2 Å²	138.2	82%	0.82	80%	0.797	S	S	*	*				-170	138.8	112.5	-124.1	-111.9	0	0	0	114.1
485	C	34.1	Very low	40.6	Very low	115 Å²	115	135.2 Å²	135.2	78%	0.777	79%	0.792	S	S	*	*			trans	-101.4	145.7	153.4	-72	0	0	0	0	108.4
486	P	52.2	Low	39.9	Very low	104 Å²	104	137.4 Å²	137.4	68%	0.675	80%	0.801	S	S	*	*				-156.3	150.5	105.8	37.4	-18.2	0	0	0	118
487	V	39.4	Very low	40.1	Very low	132 Å²	132	139.8 Å²	139.8	80%	0.8	81%	0.806	S	S	*	*			trans	51.3	116.5	130.5	-177.7	0	0	0	0	120.3
488	S	41.9	Very low	40.4	Very low	113 Å²	113	141.7 Å²	141.7	79%	0.79	81%	0.806	S	S	*	*			trans	-71.1	151.3	155.8	-45.9	0	0	0	0	112.1
489	P	58	Low	41.2	Very low	110 Å²	110	147.6 Å²	147.6	71%	0.714	81%	0.812	S	S	*	*				-141.9	133.1	112.6	36.3	-24.1	0	0	0	114.4
490	D	43.3	Very low	40.9	Very low	235 Å²	235	147.9 Å²	147.9	100%	1.257	82%	0.816	S	S	*	*				-175.3	0	112.9	-91.3	-13	0	0	0	110.1

Retrieved 490 of 490 residues in 1736 ms (Link to these results)

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