A0A093JRB4_STRCA Loading...

Matrix metalloproteinase-16

AlphaFold DB , UniProt , Accession A0A093JRB4, Species STRCA (Struthio camelus australis), Gene n/a, Length 609 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	32.3	Very low	35.5	Very low	225 Å²	225	143.5 Å²	143.5	100%	1.108	81%	0.811	S	S	*	*				0	131.2	0	-87.1	-169.2	82.7	0	0	108.8
2	I	31.8	Very low	36	Very low	146 Å²	146	143.8 Å²	143.8	75%	0.749	81%	0.808	S	S	*	*			trans	70.4	95.6	165.5	-50.2	168.6	0	0	0	114.7
3	V	33.3	Very low	36.3	Very low	120 Å²	120	141.4 Å²	141.4	73%	0.727	79%	0.792	S	S	*	*				82.4	105.1	63.1	178.8	0	0	0	0	114.3
4	L	39.9	Very low	36.5	Very low	137 Å²	137	142.8 Å²	142.8	72%	0.717	79%	0.786	S	S	*	*			trans	43.2	129.7	137.3	-61.5	168	0	0	0	122.1	F6	L4-F6 HydrophobicContact CD2-CD2 4.02Å; L4-F6 HydrophobicContact CD2-CE2 3.94Å
5	A	32.8	Very low	37.1	Very low	106 Å²	106	139.1 Å²	139.1	88%	0.876	77%	0.768	S	S	*	*				-158.1	121.9	116.9	0	0	0	0	0	111.5
6	F	40.4	Very low	37.4	Very low	190 Å²	190	135.2 Å²	135.2	83%	0.833	75%	0.754	S	S	*	*			trans	-78.1	150.9	171.6	-86.7	-99.5	0	0	0	111.5	L4	L4-F6 HydrophobicContact CD2-CD2 4.02Å; L4-F6 HydrophobicContact CD2-CE2 3.94Å
7	S	31.8	Very low	37.8	Very low	102 Å²	102	134.6 Å²	134.6	71%	0.713	74%	0.744	S	S	*	*			trans	-169.5	104.8	130.5	-156.8	0	0	0	0	110.8
8	T	37.9	Very low	38.2	Very low	135 Å²	135	129.7 Å²	129.7	83%	0.828	72%	0.721	S	S	*	*				71.5	119.1	115	66.7	0	0	0	0	117
9	G	30.3	Very low	38.5	Very low	71 Å²	71	132.3 Å²	132.3	73%	0.732	72%	0.718	S	S	*	*			trans	150	107.4	164.8	0	0	0	0	0	114.5
10	S	37.3	Very low	39.2	Very low	102 Å²	102	129.7 Å²	129.7	71%	0.713	71%	0.706	S	S	*	*			trans	76.6	81.2	152.8	-42.4	0	0	0	0	118.6	L12	S10-L12 PolarHBondContact O-N 3.42Å; S10-L12 VanDerWaalsContact O-N 3.15Å
11	R	42.7	Very low	39.7	Very low	245 Å²	245	129.8 Å²	129.8	93%	0.925	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	22.6	171.6	-141.8	179.6	-166.9	-167.7	3.5	114.2
12	L	41.3	Very low	40.5	Very low	147 Å²	147	126.4 Å²	126.4	77%	0.77	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	-14.9	-174.9	-101.1	104.2	0	0	0	115.9	S10	S10-L12 PolarHBondContact O-N 3.42Å; S10-L12 VanDerWaalsContact O-N 3.15Å
13	D	40.7	Very low	41.5	Very low	112 Å²	112	125.6 Å²	125.6	60%	0.599	68%	0.676	S	S	*	*	S	Bend	trans	-91.3	-15.3	-177	-65.8	-40.7	0	0	0	114.2	Q17	D13-Q17 PolarHBondContact O-N 3.47Å
14	F	39.2	Very low	42.3	Very low	161 Å²	161	125.2 Å²	125.2	71%	0.706	67%	0.667	S	S	*	*	H	α-helix	trans	-76.1	-27.9	-176	-151	-95.8	0	0	0	113.5	S18	F14-S18 WeakPolarHBondContact O-CB 3.42Å; F14-S18 PolarHBondContact O-N 2.92Å; F14-S18 PolarHBondContact O-OG 3.39Å
15	V	44.6	Very low	43.1	Very low	87 Å²	87	121.9 Å²	121.9	53%	0.527	65%	0.652	S	S	.	*	H	α-helix	trans	-78.3	-29.9	-179	-178.1	0	0	0	0	111.5	R19	V15-R19 WeakPolarHBondContact O-CG 3.09Å; V15-R19 PolarHBondContact O-N 3.33Å
16	S	42.6	Very low	44	Very low	77 Å²	77	123.3 Å²	123.3	54%	0.538	64%	0.639	S	S	.	*	H	α-helix	trans	-74.9	-46.9	178.2	-172.2	0	0	0	0	111.7	S18 R19 V20	S16-S18 PolarHBondContact O-N 3.4Å; S16-R19 PolarHBondContact O-N 3.38Å; S16-V20 WeakPolarHBondContact O-CG2 3.49Å; S16-V20 PolarHBondContact O-N 2.94Å; S16-V20 VanDerWaalsContact O-N 3.17Å
17	Q	43.8	Very low	44.4	Very low	126 Å²	126	120 Å²	120	59%	0.589	63%	0.629	S	S	*	*	H	α-helix	trans	-63.2	-41.2	176.3	-90	179.3	-15.4	0	0	112.5	D13 R19 V20 F21	D13-Q17 PolarHBondContact O-N 3.47Å; Q17-R19 VanDerWaalsContact C-N 3.32Å; Q17-R19 PolarHBondContact O-N 3.18Å; Q17-V20 PolarHBondContact O-N 3.18Å; Q17-F21 WeakPolarHBondContact O-CD2 3.26Å; Q17-F21 PolarHBondContact O-N 3.1Å
18	S	44.9	Very low	45.1	Very low	46 Å²	46	125 Å²	125	32%	0.322	63%	0.632	S	S	.	*	H	α-helix	trans	-62.6	-38.2	178.5	-58.1	0	0	0	0	112.2	F14 S16 F22	F14-S18 WeakPolarHBondContact O-CB 3.42Å; F14-S18 PolarHBondContact O-N 2.92Å; F14-S18 PolarHBondContact O-OG 3.39Å; S16-S18 PolarHBondContact O-N 3.4Å; S18-F22 WeakPolarHBondContact O-CB 3.24Å; S18-F22 WeakPolarHBondContact O-CD2 3.47Å; S18-F22 PolarHBondContact O-N 2.69Å
19	R	44.3	Very low	45.8	Very low	178 Å²	178	123.3 Å²	123.3	67%	0.672	62%	0.617	S	S	*	*	H	α-helix	trans	-69.6	-36.8	177.4	-75.1	179.3	176.3	-161.9	-0.9	112.8	V15 S16 Q17 L23	V15-R19 WeakPolarHBondContact O-CG 3.09Å; V15-R19 PolarHBondContact O-N 3.33Å; S16-R19 PolarHBondContact O-N 3.38Å; Q17-R19 VanDerWaalsContact C-N 3.32Å; Q17-R19 PolarHBondContact O-N 3.18Å; R19-L23 WeakPolarHBondContact O-CB 3.4Å; R19-L23 WeakPolarHBondContact O-CD1 3.46Å; R19-L23 PolarHBondContact O-N 3.02Å
20	V	51.8	Low	46.5	Very low	80 Å²	80	124.3 Å²	124.3	49%	0.485	61%	0.606	S	S	.	*	H	α-helix	trans	-68.4	-41.3	176.6	175.9	0	0	0	0	111.2	S16 Q17 L23 Q24	S16-V20 WeakPolarHBondContact O-CG2 3.49Å; S16-V20 PolarHBondContact O-N 2.94Å; S16-V20 VanDerWaalsContact O-N 3.17Å; Q17-V20 PolarHBondContact O-N 3.18Å; V20-L23 PolarHBondContact O-N 3.47Å; V20-Q24 WeakPolarHBondContact O-CB 3.47Å; V20-Q24 PolarHBondContact O-N 2.66Å
21	F	50	Low	46.6	Very low	132 Å²	132	123.1 Å²	123.1	58%	0.579	60%	0.596	S	S	*	*	H	α-helix	trans	-65.1	-41.4	174.9	-90.6	-79.7	0	0	0	112.6	Q17 Q24 T25	Q17-F21 WeakPolarHBondContact O-CD2 3.26Å; Q17-F21 PolarHBondContact O-N 3.1Å; F21-Q24 PolarHBondContact O-N 2.99Å; F21-T25 WeakPolarHBondContact O-CG2 3.49Å; F21-T25 PolarHBondContact O-N 3.44Å; F21-T25 PolarHBondContact O-OG1 2.99Å; F21-T25 VanDerWaalsContact O-OG1 3.06Å
22	F	49.8	Very low	46.7	Very low	155 Å²	155	114.9 Å²	114.9	68%	0.68	58%	0.581	S	S	*	*	H	α-helix	trans	-66.3	-36.6	175	-94.7	-84.4	0	0	0	112.7	S18 T25 F26	S18-F22 WeakPolarHBondContact O-CB 3.24Å; S18-F22 WeakPolarHBondContact O-CD2 3.47Å; S18-F22 PolarHBondContact O-N 2.69Å; F22-T25 WeakPolarHBondContact CA-OG1 3.41Å; F22-T25 PolarHBondContact O-OG1 3.15Å; F22-T25 VanDerWaalsContact O-OG1 3.09Å; F22-F26 VanDerWaalsContact O-CB 3.25Å; F22-F26 WeakPolarHBondContact O-CB 3.3Å; F22-F26 PolarHBondContact O-N 3.35Å
23	L	51.6	Low	46.7	Very low	128 Å²	128	112.5 Å²	112.5	67%	0.67	57%	0.572	S	S	*	*	H	α-helix	trans	-69.1	-37.9	174.2	-98.5	134.7	0	0	0	112.3	R19 V20 L27	R19-L23 WeakPolarHBondContact O-CB 3.4Å; R19-L23 WeakPolarHBondContact O-CD1 3.46Å; R19-L23 PolarHBondContact O-N 3.02Å; V20-L23 PolarHBondContact O-N 3.47Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 PolarHBondContact O-N 3.14Å
24	Q	51.7	Low	46.6	Very low	112 Å²	112	111 Å²	111	52%	0.523	58%	0.576	S	S	.	*	H	α-helix	trans	-68.7	-38.9	175.9	-105.5	170.6	-27.3	0	0	112.8	V20 F21 W28	V20-Q24 WeakPolarHBondContact O-CB 3.47Å; V20-Q24 PolarHBondContact O-N 2.66Å; F21-Q24 PolarHBondContact O-N 2.99Å; Q24-W28 WeakPolarHBondContact O-CB 3.47Å; Q24-W28 PolarHBondContact O-N 3Å
25	T	55.4	Low	46.3	Very low	68 Å²	68	108.2 Å²	108.2	42%	0.417	58%	0.575	S	S	.	*	H	α-helix	trans	-72	-38.4	176	54.9	0	0	0	0	111.6	F21 F22 W28 I29	F21-T25 WeakPolarHBondContact O-CG2 3.49Å; F21-T25 PolarHBondContact O-N 3.44Å; F21-T25 PolarHBondContact O-OG1 2.99Å; F21-T25 VanDerWaalsContact O-OG1 3.06Å; F22-T25 WeakPolarHBondContact CA-OG1 3.41Å; F22-T25 PolarHBondContact O-OG1 3.15Å; F22-T25 VanDerWaalsContact O-OG1 3.09Å; T25-W28 PolarHBondContact O-N 2.88Å; T25-I29 WeakPolarHBondContact O-CB 3.32Å; T25-I29 WeakPolarHBondContact O-CD1 3.29Å; T25-I29 WeakPolarHBondContact O-CG1 3.28Å; T25-I29 PolarHBondContact O-N 2.81Å
26	F	52.8	Low	45.8	Very low	136 Å²	136	113 Å²	113	60%	0.596	59%	0.589	S	S	*	*	H	α-helix	trans	-68.5	-36.4	175.4	-142.9	-102	0	0	0	111.9	F22 I29 L30	F22-F26 VanDerWaalsContact O-CB 3.25Å; F22-F26 WeakPolarHBondContact O-CB 3.3Å; F22-F26 PolarHBondContact O-N 3.35Å; F26-I29 PolarHBondContact O-N 2.81Å; F26-L30 HydrophobicContact CD1-CD1 3.61Å; F26-L30 HydrophobicContact CE1-CD1 3.92Å; F26-L30 VanDerWaalsContact O-CB 3.3Å; F26-L30 WeakPolarHBondContact O-CB 3.49Å; F26-L30 PolarHBondContact O-N 2.89Å
27	L	47.9	Very low	45.4	Very low	121 Å²	121	113.8 Å²	113.8	63%	0.634	60%	0.6	S	S	*	*	H	α-helix	trans	-70.2	-34	173.4	-161.4	72.6	0	0	0	111.7	L23 C31	L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 PolarHBondContact O-N 3.14Å; L27-C31 WeakPolarHBondContact O-CB 3.31Å; L27-C31 PolarHBondContact O-N 3.04Å
28	W	47	Very low	45.2	Very low	205 Å²	205	116.7 Å²	116.7	78%	0.777	61%	0.614	S	S	*	*	H	α-helix	trans	-67.8	-38.4	170.5	-100.2	64.7	0	0	0	112.7	Q24 T25 C31 A32	Q24-W28 WeakPolarHBondContact O-CB 3.47Å; Q24-W28 PolarHBondContact O-N 3Å; T25-W28 PolarHBondContact O-N 2.88Å; W28-C31 PolarHBondContact O-N 3.13Å; W28-A32 WeakPolarHBondContact O-CB 3.36Å; W28-A32 PolarHBondContact O-N 3.31Å
29	I	51.9	Low	45.2	Very low	100 Å²	100	123.2 Å²	123.2	51%	0.513	64%	0.639	S	S	.	*	H	α-helix	trans	-72.4	-38.2	177	-67.3	162.8	0	0	0	111	T25 F26 A32 T33	T25-I29 WeakPolarHBondContact O-CB 3.32Å; T25-I29 WeakPolarHBondContact O-CD1 3.29Å; T25-I29 WeakPolarHBondContact O-CG1 3.28Å; T25-I29 PolarHBondContact O-N 2.81Å; F26-I29 PolarHBondContact O-N 2.81Å; I29-A32 PolarHBondContact O-N 2.89Å; I29-T33 WeakPolarHBondContact O-CB 3.27Å; I29-T33 WeakPolarHBondContact O-CG2 3.2Å; I29-T33 PolarHBondContact O-N 3.18Å; I29-T33 PolarHBondContact O-OG1 3.4Å
30	L	44.3	Very low	45.7	Very low	93 Å²	93	125.1 Å²	125.1	49%	0.487	65%	0.648	S	S	.	*	H	α-helix	trans	-67.1	-35.6	170.9	-89.4	153.9	0	0	0	112.2	F26 T33 A34	F26-L30 HydrophobicContact CD1-CD1 3.61Å; F26-L30 HydrophobicContact CE1-CD1 3.92Å; F26-L30 VanDerWaalsContact O-CB 3.3Å; F26-L30 WeakPolarHBondContact O-CB 3.49Å; F26-L30 PolarHBondContact O-N 2.89Å; L30-T33 WeakPolarHBondContact CA-OG1 3.3Å; L30-T33 PolarHBondContact O-OG1 2.99Å; L30-A34 WeakPolarHBondContact O-CB 3.38Å; L30-A34 PolarHBondContact O-N 3.03Å
31	C	41.2	Very low	46.8	Very low	76 Å²	76	124 Å²	124	51%	0.514	64%	0.636	S	S	.	*	H	α-helix	trans	-74.2	-36.2	175	-152.5	0	0	0	0	111.5	L27 W28 T33 A34 C35	L27-C31 WeakPolarHBondContact O-CB 3.31Å; L27-C31 PolarHBondContact O-N 3.04Å; W28-C31 PolarHBondContact O-N 3.13Å; C31-T33 VanDerWaalsContact C-N 3.34Å; C31-A34 PolarHBondContact O-N 3.39Å; C31-C35 WeakPolarHBondContact O-CB 3.2Å; C31-C35 PolarHBondContact O-N 3.23Å
32	A	43.8	Very low	48.3	Very low	72 Å²	72	121.5 Å²	121.5	60%	0.595	63%	0.629	S	S	*	*	H	α-helix	trans	-70.3	-28.3	174.3	0	0	0	0	0	112.9	W28 I29	W28-A32 WeakPolarHBondContact O-CB 3.36Å; W28-A32 PolarHBondContact O-N 3.31Å; I29-A32 PolarHBondContact O-N 2.89Å
33	T	41.6	Very low	50	Low	97 Å²	97	115.1 Å²	115.1	60%	0.595	60%	0.603	S	S	*	*	H	α-helix	trans	-85.3	-26.8	173.6	49.2	0	0	0	0	112.8	I29 L30 C31	I29-T33 WeakPolarHBondContact O-CB 3.27Å; I29-T33 WeakPolarHBondContact O-CG2 3.2Å; I29-T33 PolarHBondContact O-N 3.18Å; I29-T33 PolarHBondContact O-OG1 3.4Å; L30-T33 WeakPolarHBondContact CA-OG1 3.3Å; L30-T33 PolarHBondContact O-OG1 2.99Å; C31-T33 VanDerWaalsContact C-N 3.34Å
34	A	37.4	Very low	51.5	Low	81 Å²	81	111.6 Å²	111.6	67%	0.669	58%	0.583	S	S	*	*	H	α-helix	trans	-83	-16	174.6	0	0	0	0	0	113.9	L30 C31 K36	L30-A34 WeakPolarHBondContact O-CB 3.38Å; L30-A34 PolarHBondContact O-N 3.03Å; C31-A34 PolarHBondContact O-N 3.39Å; A34-K36 VanDerWaalsContact C-N 3.34Å; A34-K36 PolarHBondContact O-N 3.27Å
35	C	34.8	Very low	52.8	Low	102 Å²	102	110.1 Å²	110.1	69%	0.689	58%	0.581	S	S	*	*			trans	-93.7	44	170.7	-92.6	0	0	0	0	112.8	C31	C31-C35 WeakPolarHBondContact O-CB 3.2Å; C31-C35 PolarHBondContact O-N 3.23Å
36	K	34.2	Very low	54.2	Low	188 Å²	188	107.9 Å²	107.9	82%	0.817	57%	0.565	S	S	*	*			trans	-89.2	90.5	144.5	-88	-175.6	176.3	-179.1	0	106	A34 E38	A34-K36 VanDerWaalsContact C-N 3.34Å; A34-K36 PolarHBondContact O-N 3.27Å; K36-E38 VanDerWaalsContact C-N 3.33Å; K36-E38 PolarHBondContact O-N 2.82Å
37	A	34.1	Very low	55.8	Low	94 Å²	94	101.4 Å²	101.4	78%	0.777	54%	0.537	S	S	*	.			trans	-57.2	105	162.3	0	0	0	0	0	106.3	Q39	A37-Q39 PolarHBondContact O-N 3.2Å
38	E	39.4	Very low	57.5	Low	187 Å²	187	97.9 Å²	97.9	87%	0.874	52%	0.517	S	S	*	.			trans	-59.5	98.7	163.7	-88.1	-170.7	153.1	0	0	106	K36 Y40	K36-E38 VanDerWaalsContact C-N 3.33Å; K36-E38 PolarHBondContact O-N 2.82Å; E38-Y40 PolarHBondContact O-N 2.69Å
39	Q	44.1	Very low	59	Low	182 Å²	182	91.5 Å²	91.5	85%	0.85	50%	0.495	S	S	*	.			trans	-58	111.2	174.1	-148.8	174.6	10.8	0	0	106.1	A37 F41	A37-Q39 PolarHBondContact O-N 3.2Å; Q39-F41 PolarHBondContact O-N 3.04Å
40	Y	55.3	Low	60.5	Low	219 Å²	219	87 Å²	87	86%	0.859	47%	0.471	S	S	*	.			trans	-61.5	106.9	-174.1	-159.2	-92.1	0	0	0	108.5	E38 N42	E38-Y40 PolarHBondContact O-N 2.69Å; Y40-N42 PolarHBondContact O-N 3.26Å
41	F	73.9	Confident	62.2	Low	56 Å²	56	83.4 Å²	83.4	25%	0.246	46%	0.457	C	S	.	.			trans	-67.9	108.3	-176.7	178.5	-96.2	0	0	0	109.6	Q39 V43 W46 I93 M96 K97	Q39-F41 PolarHBondContact O-N 3.04Å; F41-V43 HydrophobicContact CD1-CG2 3.91Å; F41-V43 HydrophobicContact CE1-CB 4.41Å; F41-V43 HydrophobicContact CE1-CG2 3.75Å; F41-V43 PolarHBondContact O-N 3.42Å; F41-W46 AromaticContact CE2-CD1 3.66Å; F41-W46 HydrophobicContact CE2-CG 4.29Å; F41-W46 HydrophobicContact CZ-CB 3.87Å; F41-W46 AromaticContact CZ-CD1 3.45Å; F41-W46 VanDerWaalsContact CZ-CD1 3.45Å; F41-W46 AromaticContact CZ-CG 3.69Å; F41-W46 HydrophobicContact CZ-CG 3.69Å; F41-I93 HydrophobicContact CD1-CG2 4.27Å; F41-M96 HydrophobicContact CE1-CB 3.84Å; F41-M96 HydrophobicContact CE1-CG 4.34Å; F41-M96 HydrophobicContact CE1-SD 3.6Å; F41-M96 VanDerWaalsContact CE1-SD 3.6Å; F41-M96 HydrophobicContact CE2-CB 4.2Å; F41-M96 HydrophobicContact CZ-CB 3.39Å; F41-M96 HydrophobicContact CZ-CG 4.13Å; F41-M96 HydrophobicContact CZ-SD 3.85Å; F41-K97 HydrophobicContact CD2-CG 4.14Å; F41-K97 HydrophobicContact CE2-CG 4.35Å
42	N	82.8	Confident	64.2	Low	79 Å²	79	80.6 Å²	80.6	42%	0.422	44%	0.436	S	S	.	.			trans	-89.8	98.2	-177.6	-168.7	-39.4	0	0	0	110.9	Y40 E44 V45 W46	Y40-N42 PolarHBondContact O-N 3.26Å; N42-E44 VanDerWaalsContact C-N 3.26Å; N42-E44 PolarHBondContact O-N 3.42Å; N42-E44 WeakPolarHBondContact OD1-CB 3.4Å; N42-E44 PolarHBondContact OD1-N 2.87Å; N42-E44 VanDerWaalsContact OD1-N 3.08Å; N42-V45 HydrophobicContact CB-CB 4.16Å; N42-V45 HydrophobicContact CB-CG2 4.09Å; N42-V45 PolarHBondContact O-N 3.48Å; N42-V45 PolarHBondContact OD1-N 2.8Å; N42-V45 VanDerWaalsContact OD1-N 3.11Å; N42-W46 PolarHBondContact O-N 2.76Å; N42-W46 VanDerWaalsContact O-N 3.09Å
43	V	84.8	Confident	65.9	Low	22 Å²	22	77.3 Å²	77.3	13%	0.133	41%	0.408	C	S	.	.	H	α-helix	trans	-57.2	-37.8	179.5	179.4	0	0	0	0	112.3	F41 W46 L47 V88 M96	F41-V43 HydrophobicContact CD1-CG2 3.91Å; F41-V43 HydrophobicContact CE1-CB 4.41Å; F41-V43 HydrophobicContact CE1-CG2 3.75Å; F41-V43 PolarHBondContact O-N 3.42Å; V43-W46 PolarHBondContact O-N 3.46Å; V43-L47 HydrophobicContact CG1-CD1 3.85Å; V43-L47 HydrophobicContact CG1-CG 4.25Å; V43-L47 VanDerWaalsContact O-CG 3.27Å; V43-L47 WeakPolarHBondContact O-CG 3.47Å; V43-L47 PolarHBondContact O-N 3.42Å; V43-V88 HydrophobicContact CG1-CG2 3.92Å; V43-V88 HydrophobicContact CG2-CG1 3.78Å; V43-V88 HydrophobicContact CG2-CG2 4.25Å; V43-M96 HydrophobicContact CG1-CE 3.95Å; V43-M96 HydrophobicContact CG1-SD 4.02Å; V43-M96 HydrophobicContact CG2-SD 4.44Å
44	E	82.4	Confident	67.2	Low	53 Å²	53	75.6 Å²	75.6	25%	0.248	40%	0.399	C	S	.	.	H	α-helix	trans	-66.5	-46.5	-178.4	-177.1	176.5	-172.1	0	0	111.2	N42 W46 L47 Q48 L53 R64 M69	N42-E44 VanDerWaalsContact C-N 3.26Å; N42-E44 PolarHBondContact O-N 3.42Å; N42-E44 WeakPolarHBondContact OD1-CB 3.4Å; N42-E44 PolarHBondContact OD1-N 2.87Å; N42-E44 VanDerWaalsContact OD1-N 3.08Å; E44-W46 VanDerWaalsContact C-N 3.27Å; E44-W46 PolarHBondContact O-N 2.96Å; E44-L47 PolarHBondContact O-N 2.75Å; E44-Q48 VanDerWaalsContact O-CG 3.29Å; E44-Q48 WeakPolarHBondContact O-CG 3.49Å; E44-Q48 PolarHBondContact O-N 3.42Å; E44-Q48 PolarHBondContact OE1-NE2 2.85Å; E44-L53 HydrophobicContact CG-CD2 3.77Å; E44-R64 WeakPolarHBondContact OE1-CD 3.15Å; E44-R64 IonicContact OE1-CZ 3.21Å; E44-R64 VanDerWaalsContact OE1-CZ 3.28Å; E44-R64 IonicContact OE1-NE 2.74Å; E44-R64 PolarHBondContact OE1-NE 2.89Å; E44-R64 IonicContact OE1-NH1 3.1Å; E44-R64 PolarHBondContact OE1-NH1 3.09Å; E44-M69 HydrophobicContact CB-CE 4.37Å; E44-M69 HydrophobicContact CG-SD 4.47Å
45	V	79.4	Confident	68.2	Low	82 Å²	82	75 Å²	75	50%	0.497	39%	0.388	S	S	.	.	H	α-helix	trans	-60.9	-40.9	176.5	173.6	0	0	0	0	110.5	N42 Q48 K49	N42-V45 HydrophobicContact CB-CB 4.16Å; N42-V45 HydrophobicContact CB-CG2 4.09Å; N42-V45 PolarHBondContact O-N 3.48Å; N42-V45 PolarHBondContact OD1-N 2.8Å; N42-V45 VanDerWaalsContact OD1-N 3.11Å; V45-Q48 PolarHBondContact O-N 2.99Å; V45-K49 WeakPolarHBondContact O-CB 3.46Å; V45-K49 PolarHBondContact O-N 3.07Å
46	W	85.8	Confident	69.1	Low	20 Å²	20	72.5 Å²	72.5	8%	0.076	37%	0.37	C	S	.	.	H	α-helix	trans	-61.4	-48.8	176.7	-168.3	102.6	0	0	0	111.8	F41 N42 V43 E44 Q48 K49 Y50 Y52 M76 Y80 M96 F267	F41-W46 AromaticContact CE2-CD1 3.66Å; F41-W46 HydrophobicContact CE2-CG 4.29Å; F41-W46 HydrophobicContact CZ-CB 3.87Å; F41-W46 AromaticContact CZ-CD1 3.45Å; F41-W46 VanDerWaalsContact CZ-CD1 3.45Å; F41-W46 AromaticContact CZ-CG 3.69Å; F41-W46 HydrophobicContact CZ-CG 3.69Å; N42-W46 PolarHBondContact O-N 2.76Å; N42-W46 VanDerWaalsContact O-N 3.09Å; V43-W46 PolarHBondContact O-N 3.46Å; E44-W46 VanDerWaalsContact C-N 3.27Å; E44-W46 PolarHBondContact O-N 2.96Å; W46-Q48 PolarHBondContact O-N 2.86Å; W46-K49 PolarHBondContact O-N 3.03Å; W46-Y50 AromaticContact CD1-CE2 3.76Å; W46-Y50 AromaticContact CD2-CD2 3.56Å; W46-Y50 HydrophobicContact CD2-CD2 3.56Å; W46-Y50 AromaticContact CD2-CE2 3.8Å; W46-Y50 HydrophobicContact CD2-CE2 3.8Å; W46-Y50 AromaticContact CE2-CD2 3.49Å; W46-Y50 VanDerWaalsContact CE2-CD2 3.49Å; W46-Y50 AromaticContact CE2-CE2 3.42Å; W46-Y50 VanDerWaalsContact CE2-CE2 3.42Å; W46-Y50 AromaticContact CE3-CD2 3.83Å; W46-Y50 HydrophobicContact CE3-CD2 3.83Å; W46-Y50 HydrophobicContact CG-CD2 4.1Å; W46-Y50 HydrophobicContact CG-CE2 4Å; W46-Y50 AromaticContact CH2-CD2 3.92Å; W46-Y50 HydrophobicContact CH2-CD2 3.92Å; W46-Y50 AromaticContact CZ2-CD2 3.7Å; W46-Y50 HydrophobicContact CZ2-CD2 3.7Å; W46-Y50 AromaticContact CZ2-CE2 3.84Å; W46-Y50 HydrophobicContact CZ2-CE2 3.84Å; W46-Y50 AromaticContact CZ3-CD2 3.97Å; W46-Y50 HydrophobicContact CZ3-CD2 3.97Å; W46-Y50 AromaticContact NE1-CE2 3.45Å; W46-Y50 VanDerWaalsContact O-CD2 3.24Å; W46-Y50 WeakPolarHBondContact O-CD2 3.47Å; W46-Y50 PolarHBondContact O-N 2.72Å; W46-Y52 HydrophobicContact CZ3-CD2 4.17Å; W46-Y52 HydrophobicContact CZ3-CE2 4.16Å; W46-M76 HydrophobicContact CH2-CE 3.67Å; W46-M76 HydrophobicContact CH2-CG 4.02Å; W46-M76 HydrophobicContact CZ2-CE 4.36Å; W46-M76 HydrophobicContact CZ3-CE 3.9Å; W46-M76 HydrophobicContact CZ3-CG 3.65Å; W46-Y80 AromaticContact CH2-CE2 3.87Å; W46-Y80 HydrophobicContact CH2-CE2 3.87Å; W46-Y80 VanDerWaalsContact CH2-OH 3.31Å; W46-Y80 WeakPolarHBondContact CH2-OH 3.37Å; W46-M96 HydrophobicContact CD2-CB 4.21Å; W46-M96 HydrophobicContact CD2-CG 3.9Å; W46-M96 HydrophobicContact CD2-SD 4.19Å; W46-M96 HydrophobicContact CE3-CE 3.91Å; W46-M96 HydrophobicContact CE3-CG 4.07Å; W46-M96 HydrophobicContact CE3-SD 4.16Å; W46-M96 HydrophobicContact CH2-CG 4.13Å; W46-M96 HydrophobicContact CZ2-CB 4.13Å; W46-M96 HydrophobicContact CZ2-CG 3.92Å; W46-M96 HydrophobicContact CZ3-CE 4.1Å; W46-M96 HydrophobicContact CZ3-CG 4.22Å; W46-M96 PolarHBondContact NE1-O 3.14Å; W46-F267 HydrophobicContact CH2-CZ 4.49Å; W46-F267 HydrophobicContact CZ2-CZ 4.24Å
47	L	86.6	Confident	69.8	Low	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-63.6	-31.5	178.2	-69.8	169	0	0	0	112.3	V43 E44 G51 Y52 L53 M69 A72 I73 M76 M96	V43-L47 HydrophobicContact CG1-CD1 3.85Å; V43-L47 HydrophobicContact CG1-CG 4.25Å; V43-L47 VanDerWaalsContact O-CG 3.27Å; V43-L47 WeakPolarHBondContact O-CG 3.47Å; V43-L47 PolarHBondContact O-N 3.42Å; E44-L47 PolarHBondContact O-N 2.75Å; L47-G51 PolarHBondContact O-N 2.8Å; L47-Y52 HydrophobicContact CD2-CD2 4.21Å; L47-Y52 HydrophobicContact CD2-CG 4.14Å; L47-Y52 PolarHBondContact O-N 2.82Å; L47-L53 HydrophobicContact CB-CB 3.81Å; L47-L53 HydrophobicContact CB-CD2 4.14Å; L47-L53 PolarHBondContact O-N 2.84Å; L47-L53 VanDerWaalsContact O-N 3.09Å; L47-M69 HydrophobicContact CD1-CE 4.07Å; L47-A72 HydrophobicContact CD1-CB 4.24Å; L47-I73 HydrophobicContact CD1-CG1 3.84Å; L47-M76 HydrophobicContact CD2-CB 4.05Å; L47-M76 HydrophobicContact CD2-CG 4.21Å; L47-M96 HydrophobicContact CD2-CE 4.03Å; L47-M96 HydrophobicContact CG-CE 4.37Å
48	Q	81.9	Confident	70.3	Confident	48 Å²	48	67.7 Å²	67.7	22%	0.224	35%	0.345	C	S	.	.	H	α-helix	trans	-70.8	-44.1	173.4	-70.3	177.9	14.8	0	0	112.2	E44 V45 W46 Y50 G51 L53	E44-Q48 VanDerWaalsContact O-CG 3.29Å; E44-Q48 WeakPolarHBondContact O-CG 3.49Å; E44-Q48 PolarHBondContact O-N 3.42Å; E44-Q48 PolarHBondContact OE1-NE2 2.85Å; V45-Q48 PolarHBondContact O-N 2.99Å; W46-Q48 PolarHBondContact O-N 2.86Å; Q48-Y50 VanDerWaalsContact C-N 3.3Å; Q48-Y50 PolarHBondContact O-N 2.98Å; Q48-G51 PolarHBondContact O-N 2.81Å; Q48-L53 WeakPolarHBondContact CA-O 3.26Å; Q48-L53 HydrophobicContact CG-CB 4.18Å; Q48-L53 HydrophobicContact CG-CD2 4.23Å; Q48-L53 HydrophobicContact CG-CG 4.41Å
49	K	78.6	Confident	70.5	Confident	71 Å²	71	66.8 Å²	66.8	31%	0.309	33%	0.334	S	S	.	.	H	α-helix	trans	-56.8	-43.7	179.7	-175.5	173.1	174.5	177.5	0	111.1	V45 W46 D200 F205	V45-K49 WeakPolarHBondContact O-CB 3.46Å; V45-K49 PolarHBondContact O-N 3.07Å; W46-K49 PolarHBondContact O-N 3.03Å; K49-D200 IonicContact NZ-OD2 3.94Å; K49-D200 PolarHBondContact NZ-OD2 3.3Å; K49-F205 VanDerWaalsContact NZ-CD1 3.26Å
50	Y	83.6	Confident	70.4	Confident	4 Å²	4	63 Å²	63	2%	0.016	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	9.7	-175.5	-57.3	-64.6	0	0	0	115.4	W46 Q48 R100 D105	W46-Y50 AromaticContact CD1-CE2 3.76Å; W46-Y50 AromaticContact CD2-CD2 3.56Å; W46-Y50 HydrophobicContact CD2-CD2 3.56Å; W46-Y50 AromaticContact CD2-CE2 3.8Å; W46-Y50 HydrophobicContact CD2-CE2 3.8Å; W46-Y50 AromaticContact CE2-CD2 3.49Å; W46-Y50 VanDerWaalsContact CE2-CD2 3.49Å; W46-Y50 AromaticContact CE2-CE2 3.42Å; W46-Y50 VanDerWaalsContact CE2-CE2 3.42Å; W46-Y50 AromaticContact CE3-CD2 3.83Å; W46-Y50 HydrophobicContact CE3-CD2 3.83Å; W46-Y50 HydrophobicContact CG-CD2 4.1Å; W46-Y50 HydrophobicContact CG-CE2 4Å; W46-Y50 AromaticContact CH2-CD2 3.92Å; W46-Y50 HydrophobicContact CH2-CD2 3.92Å; W46-Y50 AromaticContact CZ2-CD2 3.7Å; W46-Y50 HydrophobicContact CZ2-CD2 3.7Å; W46-Y50 AromaticContact CZ2-CE2 3.84Å; W46-Y50 HydrophobicContact CZ2-CE2 3.84Å; W46-Y50 AromaticContact CZ3-CD2 3.97Å; W46-Y50 HydrophobicContact CZ3-CD2 3.97Å; W46-Y50 AromaticContact NE1-CE2 3.45Å; W46-Y50 VanDerWaalsContact O-CD2 3.24Å; W46-Y50 WeakPolarHBondContact O-CD2 3.47Å; W46-Y50 PolarHBondContact O-N 2.72Å; Q48-Y50 VanDerWaalsContact C-N 3.3Å; Q48-Y50 PolarHBondContact O-N 2.98Å; Y50-R100 VanDerWaalsContact CZ-CD 3.47Å; Y50-D105 PolarHBondContact O-N 3Å; Y50-D105 VanDerWaalsContact O-N 3.09Å
51	G	80.4	Confident	70.1	Confident	18 Å²	18	55.7 Å²	55.7	19%	0.186	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	2.4	167.8	0	0	0	0	0	116.5	L47 Q48 L53	L47-G51 PolarHBondContact O-N 2.8Å; Q48-G51 PolarHBondContact O-N 2.81Å; G51-L53 VanDerWaalsContact C-N 3.3Å; G51-L53 PolarHBondContact O-N 2.85Å
52	Y	82.7	Confident	68.7	Low	17 Å²	17	59.6 Å²	59.6	7%	0.067	33%	0.327	C	S	.	.	S	Bend	trans	-73.6	-22.6	177.2	-64.9	-78.1	0	0	0	113.5	W46 L47 A72 A75 M76 F79 Y80 D105 Q106	W46-Y52 HydrophobicContact CZ3-CD2 4.17Å; W46-Y52 HydrophobicContact CZ3-CE2 4.16Å; L47-Y52 HydrophobicContact CD2-CD2 4.21Å; L47-Y52 HydrophobicContact CD2-CG 4.14Å; L47-Y52 PolarHBondContact O-N 2.82Å; Y52-A72 WeakPolarHBondContact O-CB 3.42Å; Y52-A75 HydrophobicContact CD1-CB 4.08Å; Y52-M76 HydrophobicContact CD1-CB 3.75Å; Y52-M76 HydrophobicContact CD2-CB 4.13Å; Y52-M76 HydrophobicContact CD2-CG 4.33Å; Y52-M76 HydrophobicContact CE1-CB 3.76Å; Y52-M76 HydrophobicContact CE2-CB 4.13Å; Y52-M76 HydrophobicContact CE2-CG 4.11Å; Y52-M76 HydrophobicContact CG-CB 3.96Å; Y52-F79 HydrophobicContact CE1-CB 4.32Å; Y52-Y80 WeakPolarHBondContact CE2-OH 3.26Å; Y52-Y80 PolarHBondContact OH-OH 3.36Å; Y52-D105 HydrophobicContact CE2-CB 4.21Å; Y52-D105 VanDerWaalsContact CE2-OD2 3.23Å; Y52-D105 WeakPolarHBondContact CE2-OD2 3.28Å; Y52-D105 WeakPolarHBondContact OH-CB 3.3Å; Y52-D105 PolarHBondContact OH-OD2 2.9Å; Y52-Q106 HydrophobicContact CE1-CG 4.34Å
53	L	80.9	Confident	67.1	Low	4 Å²	4	62.9 Å²	62.9	2%	0.021	34%	0.343	C	S	.	.	S	Bend	trans	-136.3	136.4	-173.8	-163.6	68.8	0	0	0	110	E44 L47 Q48 G51 T68 M69 A72	E44-L53 HydrophobicContact CG-CD2 3.77Å; L47-L53 HydrophobicContact CB-CB 3.81Å; L47-L53 HydrophobicContact CB-CD2 4.14Å; L47-L53 PolarHBondContact O-N 2.84Å; L47-L53 VanDerWaalsContact O-N 3.09Å; Q48-L53 WeakPolarHBondContact CA-O 3.26Å; Q48-L53 HydrophobicContact CG-CB 4.18Å; Q48-L53 HydrophobicContact CG-CD2 4.23Å; Q48-L53 HydrophobicContact CG-CG 4.41Å; G51-L53 VanDerWaalsContact C-N 3.3Å; G51-L53 PolarHBondContact O-N 2.85Å; L53-T68 HydrophobicContact CD1-CG2 3.9Å; L53-M69 HydrophobicContact CD1-SD 4.29Å; L53-M69 HydrophobicContact CD2-SD 3.55Å; L53-M69 VanDerWaalsContact CD2-SD 3.55Å; L53-A72 HydrophobicContact CB-CB 4.32Å; L53-A72 HydrophobicContact CD1-CB 3.79Å
54	P	68.1	Low	65.9	Low	61 Å²	61	63.9 Å²	63.9	40%	0.396	35%	0.345	S	S	.	.			trans	-66.7	154	176.8	27.1	-32.8	0	0	0	112.1	R64	P54-R64 PolarHBondContact O-NH2 3.47Å
55	P	58.3	Low	65.1	Low	68 Å²	68	63.8 Å²	63.8	44%	0.442	35%	0.35	S	S	.	.			trans	-70.9	130.7	166.4	27.6	-27.2	0	0	0	108.3
56	T	53.5	Low	64.8	Low	50 Å²	50	63.7 Å²	63.7	31%	0.307	36%	0.358	S	S	.	.			trans	-104.7	152.9	170.9	26.3	0	0	0	0	111.7	R64	T56-R64 VanDerWaalsContact CB-NH2 3.33Å; T56-R64 PolarHBondContact OG1-NE 3.14Å; T56-R64 PolarHBondContact OG1-NH2 3.44Å
57	D	49.3	Very low	64.4	Low	79 Å²	79	69.6 Å²	69.6	42%	0.422	39%	0.386	S	S	.	.			trans	-54.3	131.7	163.4	-170.2	-35.3	0	0	0	110.3	R59 M60	D57-R59 PolarHBondContact O-N 3.07Å; D57-R59 WeakPolarHBondContact OD1-CB 3.47Å; D57-R59 PolarHBondContact OD1-N 2.8Å; D57-M60 HydrophobicContact CB-CE 4.39Å; D57-M60 PolarHBondContact O-N 3.28Å
58	P	44.6	Very low	64.2	Low	101 Å²	101	72.5 Å²	72.5	66%	0.656	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-51.3	-25.3	173.2	-26.8	33.8	0	0	0	114.4	M60 S61	P58-M60 VanDerWaalsContact C-N 3.31Å; P58-S61 PolarHBondContact O-OG 3.45Å
59	R	42.9	Very low	64.3	Low	168 Å²	168	72.3 Å²	72.3	63%	0.634	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-77.9	-10.6	176.6	-64.9	-177.6	172.5	135.1	0.9	114.4	D57	D57-R59 PolarHBondContact O-N 3.07Å; D57-R59 WeakPolarHBondContact OD1-CB 3.47Å; D57-R59 PolarHBondContact OD1-N 2.8Å
60	M	42	Very low	64.7	Low	103 Å²	103	73.4 Å²	73.4	51%	0.507	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-115	6.9	179.7	-111.5	-168.2	-61.6	0	0	113.3	D57 P58 V62 L63	D57-M60 HydrophobicContact CB-CE 4.39Å; D57-M60 PolarHBondContact O-N 3.28Å; P58-M60 VanDerWaalsContact C-N 3.31Å; M60-V62 PolarHBondContact O-N 2.82Å; M60-V62 VanDerWaalsContact O-N 3.1Å; M60-L63 PolarHBondContact O-N 3.45Å
61	S	48.8	Very low	64.8	Low	65 Å²	65	76.9 Å²	76.9	46%	0.455	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-57.5	-25.8	178.4	63.4	0	0	0	0	112.9	P58	P58-S61 PolarHBondContact O-OG 3.45Å
62	V	46.2	Very low	65.1	Low	139 Å²	139	76.2 Å²	76.2	84%	0.842	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-80.8	-13	179.8	-170.1	0	0	0	0	113.2	M60	M60-V62 PolarHBondContact O-N 2.82Å; M60-V62 VanDerWaalsContact O-N 3.1Å
63	L	48.3	Very low	65.4	Low	147 Å²	147	75.8 Å²	75.8	77%	0.77	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-110.2	23.3	-175.9	-86.3	161.9	0	0	0	113.8	M60 S65	M60-L63 PolarHBondContact O-N 3.45Å; L63-S65 PolarHBondContact O-N 2.93Å
64	R	59.4	Low	65.7	Low	43 Å²	43	77 Å²	77	16%	0.162	44%	0.437	C	S	.	.			trans	-81.5	117.5	169.8	-72.3	-169.9	165	-155.3	-15.3	109.8	E44 P54 T56 A66	E44-R64 WeakPolarHBondContact OE1-CD 3.15Å; E44-R64 IonicContact OE1-CZ 3.21Å; E44-R64 VanDerWaalsContact OE1-CZ 3.28Å; E44-R64 IonicContact OE1-NE 2.74Å; E44-R64 PolarHBondContact OE1-NE 2.89Å; E44-R64 IonicContact OE1-NH1 3.1Å; E44-R64 PolarHBondContact OE1-NH1 3.09Å; P54-R64 PolarHBondContact O-NH2 3.47Å; T56-R64 VanDerWaalsContact CB-NH2 3.33Å; T56-R64 PolarHBondContact OG1-NE 3.14Å; T56-R64 PolarHBondContact OG1-NH2 3.44Å; R64-A66 PolarHBondContact O-N 2.86Å
65	S	65.6	Low	66.6	Low	51 Å²	51	75.6 Å²	75.6	36%	0.357	43%	0.43	S	S	.	.			trans	-59.7	139.6	173.4	78.7	0	0	0	0	109.5	L63 E67 T68 M69	L63-S65 PolarHBondContact O-N 2.93Å; S65-E67 PolarHBondContact O-N 2.9Å; S65-E67 VanDerWaalsContact O-N 3.14Å; S65-T68 PolarHBondContact O-N 3.02Å; S65-T68 PolarHBondContact OG-N 2.9Å; S65-T68 PolarHBondContact OG-OG1 3.1Å; S65-M69 PolarHBondContact O-N 2.91Å
66	A	74.2	Confident	68	Low	81 Å²	81	72.3 Å²	72.3	67%	0.669	41%	0.409	S	S	*	.	H	α-helix	trans	-54	-30.6	171.2	0	0	0	0	0	111.2	R64 M69 Q70	R64-A66 PolarHBondContact O-N 2.86Å; A66-M69 PolarHBondContact O-N 3.32Å; A66-Q70 VanDerWaalsContact O-CB 3.27Å; A66-Q70 WeakPolarHBondContact O-CB 3.28Å; A66-Q70 PolarHBondContact O-N 3.37Å
67	E	77.1	Confident	69.7	Low	143 Å²	143	70 Å²	70	67%	0.668	40%	0.395	S	S	*	.	H	α-helix	trans	-63.5	-40.7	176.7	-59.6	176	179.7	0	0	112.9	S65 Q70 S71	S65-E67 PolarHBondContact O-N 2.9Å; S65-E67 VanDerWaalsContact O-N 3.14Å; E67-Q70 PolarHBondContact O-N 3.46Å; E67-S71 VanDerWaalsContact O-CB 3.29Å; E67-S71 WeakPolarHBondContact O-CB 3.28Å; E67-S71 PolarHBondContact O-N 3.33Å; E67-S71 PolarHBondContact O-OG 2.04Å
68	T	81.5	Confident	71.4	Confident	62 Å²	62	70.5 Å²	70.5	38%	0.38	40%	0.395	S	S	.	.	H	α-helix	trans	-65.1	-43.8	177.1	-55.9	0	0	0	0	111	L53 S65 S71 A72	L53-T68 HydrophobicContact CD1-CG2 3.9Å; S65-T68 PolarHBondContact O-N 3.02Å; S65-T68 PolarHBondContact OG-N 2.9Å; S65-T68 PolarHBondContact OG-OG1 3.1Å; T68-S71 PolarHBondContact O-N 2.98Å; T68-A72 WeakPolarHBondContact O-CB 3.42Å; T68-A72 PolarHBondContact O-N 2.95Å
69	M	84.1	Confident	73.2	Confident	43 Å²	43	67.6 Å²	67.6	21%	0.212	37%	0.372	C	S	.	.	H	α-helix	trans	-64.4	-46.8	176.7	-78.2	-64.4	-66.6	0	0	111.3	E44 L47 L53 S65 A66 S71 A72 I73	E44-M69 HydrophobicContact CB-CE 4.37Å; E44-M69 HydrophobicContact CG-SD 4.47Å; L47-M69 HydrophobicContact CD1-CE 4.07Å; L53-M69 HydrophobicContact CD1-SD 4.29Å; L53-M69 HydrophobicContact CD2-SD 3.55Å; L53-M69 VanDerWaalsContact CD2-SD 3.55Å; S65-M69 PolarHBondContact O-N 2.91Å; A66-M69 PolarHBondContact O-N 3.32Å; M69-S71 VanDerWaalsContact C-N 3.29Å; M69-S71 PolarHBondContact O-N 3.39Å; M69-A72 PolarHBondContact O-N 2.85Å; M69-I73 WeakPolarHBondContact O-CD1 3.21Å; M69-I73 VanDerWaalsContact O-CG1 3.28Å; M69-I73 WeakPolarHBondContact O-CG1 3.33Å; M69-I73 PolarHBondContact O-N 2.86Å
70	Q	86.9	Confident	75	Confident	95 Å²	95	60.4 Å²	60.4	44%	0.444	35%	0.345	S	S	.	.	H	α-helix	trans	-59.9	-40.9	177.5	-177.5	171.1	10.1	0	0	111.8	A66 E67 I73 A74 G86	A66-Q70 VanDerWaalsContact O-CB 3.27Å; A66-Q70 WeakPolarHBondContact O-CB 3.28Å; A66-Q70 PolarHBondContact O-N 3.37Å; E67-Q70 PolarHBondContact O-N 3.46Å; Q70-I73 PolarHBondContact O-N 2.87Å; Q70-A74 VanDerWaalsContact O-CB 3.29Å; Q70-A74 WeakPolarHBondContact O-CB 3.33Å; Q70-A74 PolarHBondContact O-N 3.1Å; Q70-G86 WeakPolarHBondContact CA-O 3.48Å; Q70-G86 WeakPolarHBondContact CG-O 3.42Å
71	S	86	Confident	76.8	Confident	76 Å²	76	58.7 Å²	58.7	53%	0.531	35%	0.354	S	S	.	.	H	α-helix	trans	-66.4	-40.3	176.8	-59.8	0	0	0	0	112.3	E67 T68 M69 A74 A75	E67-S71 VanDerWaalsContact O-CB 3.29Å; E67-S71 WeakPolarHBondContact O-CB 3.28Å; E67-S71 PolarHBondContact O-N 3.33Å; E67-S71 PolarHBondContact O-OG 2.04Å; T68-S71 PolarHBondContact O-N 2.98Å; M69-S71 VanDerWaalsContact C-N 3.29Å; M69-S71 PolarHBondContact O-N 3.39Å; S71-A74 PolarHBondContact O-N 3.39Å; S71-A75 WeakPolarHBondContact O-CB 3.04Å; S71-A75 PolarHBondContact O-N 3.31Å
72	A	86.5	Confident	78.5	Confident	5 Å²	5	56.3 Å²	56.3	4%	0.041	34%	0.335	C	S	.	.	H	α-helix	trans	-65.8	-42.6	177	0	0	0	0	0	111.8	L47 Y52 L53 T68 M69 A75 M76	L47-A72 HydrophobicContact CD1-CB 4.24Å; Y52-A72 WeakPolarHBondContact O-CB 3.42Å; L53-A72 HydrophobicContact CB-CB 4.32Å; L53-A72 HydrophobicContact CD1-CB 3.79Å; T68-A72 WeakPolarHBondContact O-CB 3.42Å; T68-A72 PolarHBondContact O-N 2.95Å; M69-A72 PolarHBondContact O-N 2.85Å; A72-A75 PolarHBondContact O-N 3.38Å; A72-M76 WeakPolarHBondContact O-CB 3.46Å; A72-M76 PolarHBondContact O-N 2.82Å
73	I	89.5	Confident	80.3	Confident	8 Å²	8	55.7 Å²	55.7	4%	0.041	33%	0.328	C	S	.	.	H	α-helix	trans	-64.4	-44.2	175	-64.3	159.2	0	0	0	110.4	L47 M69 Q70 A75 M76 Q77 V88 T92	L47-I73 HydrophobicContact CD1-CG1 3.84Å; M69-I73 WeakPolarHBondContact O-CD1 3.21Å; M69-I73 VanDerWaalsContact O-CG1 3.28Å; M69-I73 WeakPolarHBondContact O-CG1 3.33Å; M69-I73 PolarHBondContact O-N 2.86Å; Q70-I73 PolarHBondContact O-N 2.87Å; I73-A75 VanDerWaalsContact C-N 3.33Å; I73-A75 PolarHBondContact O-N 3.32Å; I73-M76 WeakPolarHBondContact O-CB 3.27Å; I73-M76 PolarHBondContact O-N 3.18Å; I73-Q77 HydrophobicContact CG2-CG 4.23Å; I73-Q77 WeakPolarHBondContact O-CB 3.1Å; I73-Q77 VanDerWaalsContact O-CG 3.25Å; I73-Q77 WeakPolarHBondContact O-CG 3.45Å; I73-Q77 PolarHBondContact O-N 2.94Å; I73-V88 HydrophobicContact CD1-CG2 3.45Å; I73-V88 VanDerWaalsContact CD1-CG2 3.45Å; I73-V88 HydrophobicContact CG1-CG2 4.28Å; I73-T92 HydrophobicContact CG2-CG2 4.39Å
74	A	87.1	Confident	82.2	Confident	29 Å²	29	54.4 Å²	54.4	24%	0.24	32%	0.319	C	S	.	.	H	α-helix	trans	-62.6	-40.1	177.4	0	0	0	0	0	112	Q70 S71 Q77 Q78	Q70-A74 VanDerWaalsContact O-CB 3.29Å; Q70-A74 WeakPolarHBondContact O-CB 3.33Å; Q70-A74 PolarHBondContact O-N 3.1Å; S71-A74 PolarHBondContact O-N 3.39Å; A74-Q77 PolarHBondContact O-N 3.19Å; A74-Q78 WeakPolarHBondContact O-CB 3.23Å; A74-Q78 PolarHBondContact O-N 3.21Å
75	A	86.4	Confident	83.4	Confident	31 Å²	31	55 Å²	55	26%	0.256	33%	0.327	S	S	.	.	H	α-helix	trans	-64.4	-40	176.3	0	0	0	0	0	112.3	Y52 S71 A72 I73 F79	Y52-A75 HydrophobicContact CD1-CB 4.08Å; S71-A75 WeakPolarHBondContact O-CB 3.04Å; S71-A75 PolarHBondContact O-N 3.31Å; A72-A75 PolarHBondContact O-N 3.38Å; I73-A75 VanDerWaalsContact C-N 3.33Å; I73-A75 PolarHBondContact O-N 3.32Å; A75-F79 WeakPolarHBondContact O-CB 3.12Å; A75-F79 PolarHBondContact O-N 3.09Å
76	M	89.1	Confident	84.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-51.4	172.7	175.8	-77.9	-164.9	0	0	111.3	W46 L47 Y52 A72 I73 Q78 F79 Y80 I82 T92 M96	W46-M76 HydrophobicContact CH2-CE 3.67Å; W46-M76 HydrophobicContact CH2-CG 4.02Å; W46-M76 HydrophobicContact CZ2-CE 4.36Å; W46-M76 HydrophobicContact CZ3-CE 3.9Å; W46-M76 HydrophobicContact CZ3-CG 3.65Å; L47-M76 HydrophobicContact CD2-CB 4.05Å; L47-M76 HydrophobicContact CD2-CG 4.21Å; Y52-M76 HydrophobicContact CD1-CB 3.75Å; Y52-M76 HydrophobicContact CD2-CB 4.13Å; Y52-M76 HydrophobicContact CD2-CG 4.33Å; Y52-M76 HydrophobicContact CE1-CB 3.76Å; Y52-M76 HydrophobicContact CE2-CB 4.13Å; Y52-M76 HydrophobicContact CE2-CG 4.11Å; Y52-M76 HydrophobicContact CG-CB 3.96Å; A72-M76 WeakPolarHBondContact O-CB 3.46Å; A72-M76 PolarHBondContact O-N 2.82Å; I73-M76 WeakPolarHBondContact O-CB 3.27Å; I73-M76 PolarHBondContact O-N 3.18Å; M76-Q78 VanDerWaalsContact C-N 3.26Å; M76-Q78 PolarHBondContact O-N 3.01Å; M76-F79 PolarHBondContact O-N 2.96Å; M76-F79 VanDerWaalsContact O-N 3.13Å; M76-Y80 HydrophobicContact CB-CE2 4.48Å; M76-Y80 HydrophobicContact CE-CD2 3.86Å; M76-Y80 HydrophobicContact CE-CE2 3.56Å; M76-Y80 HydrophobicContact CG-CD2 3.97Å; M76-Y80 HydrophobicContact CG-CE2 3.41Å; M76-Y80 VanDerWaalsContact CG-CE2 3.41Å; M76-Y80 WeakPolarHBondContact O-CD2 3.25Å; M76-Y80 PolarHBondContact O-N 2.92Å; M76-Y80 HydrophobicContact SD-CD2 3.59Å; M76-Y80 VanDerWaalsContact SD-CD2 3.59Å; M76-Y80 HydrophobicContact SD-CE2 3.56Å; M76-Y80 VanDerWaalsContact SD-CE2 3.56Å; M76-I82 HydrophobicContact CE-CD1 4.47Å; M76-I82 HydrophobicContact SD-CD1 4.05Å; M76-T92 HydrophobicContact CE-CG2 4.27Å; M76-T92 HydrophobicContact SD-CG2 4.44Å; M76-M96 HydrophobicContact CE-CE 3.46Å; M76-M96 VanDerWaalsContact CE-CE 3.46Å; M76-M96 HydrophobicContact CE-CG 3.29Å; M76-M96 HydrophobicContact CE-SD 4.23Å; M76-M96 HydrophobicContact CG-CE 4.3Å; M76-M96 HydrophobicContact SD-CE 4.1Å
77	Q	88.6	Confident	85	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.3	-41.5	178.9	-72.7	170.2	-22.8	0	0	111.7	I73 A74 Y80 G81 I82 N83 M84 T85 K87 T92	I73-Q77 HydrophobicContact CG2-CG 4.23Å; I73-Q77 WeakPolarHBondContact O-CB 3.1Å; I73-Q77 VanDerWaalsContact O-CG 3.25Å; I73-Q77 WeakPolarHBondContact O-CG 3.45Å; I73-Q77 PolarHBondContact O-N 2.94Å; A74-Q77 PolarHBondContact O-N 3.19Å; Q77-Y80 PolarHBondContact O-N 2.74Å; Q77-G81 PolarHBondContact O-N 3Å; Q77-G81 VanDerWaalsContact O-N 3.15Å; Q77-I82 HydrophobicContact CB-CD1 4.11Å; Q77-I82 HydrophobicContact CB-CG1 3.66Å; Q77-I82 HydrophobicContact CG-CD1 3.66Å; Q77-I82 HydrophobicContact CG-CG1 3.76Å; Q77-I82 WeakPolarHBondContact O-CG1 3.31Å; Q77-I82 PolarHBondContact O-N 2.99Å; Q77-N83 VanDerWaalsContact CD-O 3.32Å; Q77-N83 PolarHBondContact OE1-O 3.2Å; Q77-M84 HydrophobicContact CB-CG 4.43Å; Q77-T85 PolarHBondContact NE2-OG1 2.88Å; Q77-K87 PolarHBondContact NE2-O 3.24Å; Q77-K87 VanDerWaalsContact NE2-O 3.15Å; Q77-T92 PolarHBondContact NE2-OG1 3.39Å
78	Q	85.5	Confident	85.5	Confident	91 Å²	91	51.8 Å²	51.8	43%	0.425	30%	0.296	S	S	.	.	H	α-helix	trans	-62.9	-43	176.6	176.1	171.8	4.3	0	0	112.8	A74 M76 Y80 G81 M84	A74-Q78 WeakPolarHBondContact O-CB 3.23Å; A74-Q78 PolarHBondContact O-N 3.21Å; M76-Q78 VanDerWaalsContact C-N 3.26Å; M76-Q78 PolarHBondContact O-N 3.01Å; Q78-Y80 VanDerWaalsContact C-N 3.29Å; Q78-Y80 PolarHBondContact O-N 2.84Å; Q78-G81 PolarHBondContact O-N 2.89Å; Q78-M84 HydrophobicContact CB-CE 3.72Å; Q78-M84 HydrophobicContact CB-CG 4.09Å; Q78-M84 HydrophobicContact CB-SD 3.61Å; Q78-M84 HydrophobicContact CG-CE 3.55Å; Q78-M84 HydrophobicContact CG-SD 3.9Å
79	F	81.9	Confident	85.7	Confident	39 Å²	39	51.2 Å²	51.2	17%	0.171	29%	0.291	C	S	.	.	H	α-helix	trans	-63.1	-39.2	-178.3	-170.7	-83.2	0	0	0	111.2	Y52 A75 M76 D105 H256 S257 N258 P266	Y52-F79 HydrophobicContact CE1-CB 4.32Å; A75-F79 WeakPolarHBondContact O-CB 3.12Å; A75-F79 PolarHBondContact O-N 3.09Å; M76-F79 PolarHBondContact O-N 2.96Å; M76-F79 VanDerWaalsContact O-N 3.13Å; F79-D105 HydrophobicContact CE1-CB 4.23Å; F79-D105 HydrophobicContact CE2-CB 4.41Å; F79-D105 HydrophobicContact CZ-CB 4.16Å; F79-H256 HydrophobicContact CE1-CB 4.47Å; F79-H256 HydrophobicContact CZ-CB 4.1Å; F79-S257 WeakPolarHBondContact CE1-O 3.23Å; F79-N258 HydrophobicContact CD1-CB 4.5Å; F79-N258 HydrophobicContact CD2-CB 4.28Å; F79-N258 HydrophobicContact CE1-CB 4.34Å; F79-N258 HydrophobicContact CE2-CB 4.13Å; F79-N258 HydrophobicContact CG-CB 4.48Å; F79-N258 HydrophobicContact CZ-CB 4.16Å; F79-P266 HydrophobicContact CE1-CG 3.73Å
80	Y	79.8	Confident	85.9	Confident	18 Å²	18	59.5 Å²	59.5	7%	0.071	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	2.2	-178.3	-50.2	-50.4	0	0	0	114.9	W46 Y52 M76 Q77 Q78 I82 R100 D105 P266 F267	W46-Y80 AromaticContact CH2-CE2 3.87Å; W46-Y80 HydrophobicContact CH2-CE2 3.87Å; W46-Y80 VanDerWaalsContact CH2-OH 3.31Å; W46-Y80 WeakPolarHBondContact CH2-OH 3.37Å; Y52-Y80 WeakPolarHBondContact CE2-OH 3.26Å; Y52-Y80 PolarHBondContact OH-OH 3.36Å; M76-Y80 HydrophobicContact CB-CE2 4.48Å; M76-Y80 HydrophobicContact CE-CD2 3.86Å; M76-Y80 HydrophobicContact CE-CE2 3.56Å; M76-Y80 HydrophobicContact CG-CD2 3.97Å; M76-Y80 HydrophobicContact CG-CE2 3.41Å; M76-Y80 VanDerWaalsContact CG-CE2 3.41Å; M76-Y80 WeakPolarHBondContact O-CD2 3.25Å; M76-Y80 PolarHBondContact O-N 2.92Å; M76-Y80 HydrophobicContact SD-CD2 3.59Å; M76-Y80 VanDerWaalsContact SD-CD2 3.59Å; M76-Y80 HydrophobicContact SD-CE2 3.56Å; M76-Y80 VanDerWaalsContact SD-CE2 3.56Å; Q77-Y80 PolarHBondContact O-N 2.74Å; Q78-Y80 VanDerWaalsContact C-N 3.29Å; Q78-Y80 PolarHBondContact O-N 2.84Å; Y80-I82 PolarHBondContact O-N 3.25Å; Y80-R100 PolarHBondContact OH-NH1 2.93Å; Y80-D105 PolarHBondContact OH-OD2 3.01Å; Y80-P266 HydrophobicContact CE1-CB 4.25Å; Y80-P266 HydrophobicContact CE1-CG 3.95Å; Y80-F267 AromaticContact CD1-CD2 3.96Å; Y80-F267 HydrophobicContact CD1-CD2 3.96Å; Y80-F267 AromaticContact CD1-CE2 3.5Å; Y80-F267 HydrophobicContact CD1-CE2 3.5Å; Y80-F267 AromaticContact CD2-CE2 3.59Å; Y80-F267 HydrophobicContact CD2-CE2 3.59Å; Y80-F267 HydrophobicContact CD2-CZ 4.17Å; Y80-F267 HydrophobicContact CE1-CD2 4.18Å; Y80-F267 AromaticContact CE1-CE2 3.58Å; Y80-F267 HydrophobicContact CE1-CE2 3.58Å; Y80-F267 HydrophobicContact CE1-CZ 4.33Å; Y80-F267 AromaticContact CE2-CE2 3.56Å; Y80-F267 HydrophobicContact CE2-CE2 3.56Å; Y80-F267 AromaticContact CE2-CZ 3.8Å; Y80-F267 HydrophobicContact CE2-CZ 3.8Å; Y80-F267 HydrophobicContact CG-CD2 4.27Å; Y80-F267 AromaticContact CG-CE2 3.55Å; Y80-F267 HydrophobicContact CG-CE2 3.55Å; Y80-F267 AromaticContact CZ-CE2 3.6Å; Y80-F267 AromaticContact CZ-CZ 3.94Å
81	G	80.2	Confident	85.9	Confident	67 Å²	67	58.5 Å²	58.5	69%	0.691	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	22.5	-178.3	0	0	0	0	0	114.3	Q77 Q78	Q77-G81 PolarHBondContact O-N 3Å; Q77-G81 VanDerWaalsContact O-N 3.15Å; Q78-G81 PolarHBondContact O-N 2.89Å
82	I	84.7	Confident	86	Confident	14 Å²	14	54.9 Å²	54.9	7%	0.072	29%	0.292	C	S	.	.	S	Bend	trans	-88.2	161	171	62.1	173.4	0	0	0	109.9	M76 Q77 Y80 M84 W95	M76-I82 HydrophobicContact CE-CD1 4.47Å; M76-I82 HydrophobicContact SD-CD1 4.05Å; Q77-I82 HydrophobicContact CB-CD1 4.11Å; Q77-I82 HydrophobicContact CB-CG1 3.66Å; Q77-I82 HydrophobicContact CG-CD1 3.66Å; Q77-I82 HydrophobicContact CG-CG1 3.76Å; Q77-I82 WeakPolarHBondContact O-CG1 3.31Å; Q77-I82 PolarHBondContact O-N 2.99Å; Y80-I82 PolarHBondContact O-N 3.25Å; I82-M84 PolarHBondContact O-N 2.62Å; I82-M84 VanDerWaalsContact O-N 3.1Å; I82-W95 HydrophobicContact CD1-CB 4.38Å; I82-W95 HydrophobicContact CD1-CG 4.31Å; I82-W95 HydrophobicContact CG2-CD2 3.84Å; I82-W95 VanDerWaalsContact CG2-CE2 3.49Å; I82-W95 HydrophobicContact CG2-CG 4.04Å; I82-W95 HydrophobicContact CG2-CZ2 3.93Å
83	N	84.6	Confident	86.1	Confident	127 Å²	127	57 Å²	57	68%	0.679	30%	0.302	S	S	*	.			trans	-55.4	119.9	-176.1	-73.8	-15.9	0	0	0	111.4	Q77 T85	Q77-N83 VanDerWaalsContact CD-O 3.32Å; Q77-N83 PolarHBondContact OE1-O 3.2Å; N83-T85 VanDerWaalsContact C-N 3.3Å; N83-T85 HydrophobicContact CB-CG2 4.32Å; N83-T85 PolarHBondContact O-N 2.87Å
84	M	87.3	Confident	85.9	Confident	120 Å²	120	61.2 Å²	61.2	59%	0.591	33%	0.325	S	S	*	.			trans	-76.4	78.3	-177.7	-60.3	-177.5	-146.4	0	0	110.8	Q77 Q78 I82	Q77-M84 HydrophobicContact CB-CG 4.43Å; Q78-M84 HydrophobicContact CB-CE 3.72Å; Q78-M84 HydrophobicContact CB-CG 4.09Å; Q78-M84 HydrophobicContact CB-SD 3.61Å; Q78-M84 HydrophobicContact CG-CE 3.55Å; Q78-M84 HydrophobicContact CG-SD 3.9Å; I82-M84 PolarHBondContact O-N 2.62Å; I82-M84 VanDerWaalsContact O-N 3.1Å
85	T	85.6	Confident	85.9	Confident	54 Å²	54	63 Å²	63	33%	0.331	33%	0.325	S	S	.	.			trans	-88.9	-21.8	177.6	63.7	0	0	0	0	112.5	Q77 N83 K87 D89	Q77-T85 PolarHBondContact NE2-OG1 2.88Å; N83-T85 VanDerWaalsContact C-N 3.3Å; N83-T85 HydrophobicContact CB-CG2 4.32Å; N83-T85 PolarHBondContact O-N 2.87Å; T85-K87 PolarHBondContact O-N 2.73Å; T85-K87 PolarHBondContact OG1-N 2.97Å; T85-K87 PolarHBondContact OG1-O 2.95Å; T85-D89 PolarHBondContact OG1-OD2 2.81Å
86	G	84.9	Confident	85.9	Confident	6 Å²	6	61.7 Å²	61.7	6%	0.062	31%	0.314	C	S	.	.	S	Bend	trans	64.8	7.4	-169	0	0	0	0	0	113.5	Q70	Q70-G86 WeakPolarHBondContact CA-O 3.48Å; Q70-G86 WeakPolarHBondContact CG-O 3.42Å
87	K	87.8	Confident	85.8	Confident	141 Å²	141	67.4 Å²	67.4	61%	0.613	34%	0.339	S	S	*	.	S	Bend	trans	-115.2	147	-175.2	-66.6	178.1	-177.3	179.9	0	109.8	Q77 T85 D89	Q77-K87 PolarHBondContact NE2-O 3.24Å; Q77-K87 VanDerWaalsContact NE2-O 3.15Å; T85-K87 PolarHBondContact O-N 2.73Å; T85-K87 PolarHBondContact OG1-N 2.97Å; T85-K87 PolarHBondContact OG1-O 2.95Å; K87-D89 VanDerWaalsContact C-N 3.27Å; K87-D89 PolarHBondContact O-N 3.21Å
88	V	86.6	Confident	85.6	Confident	61 Å²	61	71.3 Å²	71.3	37%	0.37	36%	0.356	S	S	.	.			trans	-77.5	81.5	171.4	-171.4	0	0	0	0	108.6	V43 I73 I93	V43-V88 HydrophobicContact CG1-CG2 3.92Å; V43-V88 HydrophobicContact CG2-CG1 3.78Å; V43-V88 HydrophobicContact CG2-CG2 4.25Å; I73-V88 HydrophobicContact CD1-CG2 3.45Å; I73-V88 VanDerWaalsContact CD1-CG2 3.45Å; I73-V88 HydrophobicContact CG1-CG2 4.28Å; V88-I93 HydrophobicContact CG1-CD1 3.73Å; V88-I93 HydrophobicContact CG1-CG1 3.47Å; V88-I93 VanDerWaalsContact CG1-CG1 3.47Å
89	D	86.6	Confident	85.8	Confident	50 Å²	50	68.8 Å²	68.8	27%	0.267	35%	0.348	S	S	.	.			trans	-86.3	167.8	171.1	55.9	39.3	0	0	0	111.6	T85 K87 N91 T92 I93	T85-D89 PolarHBondContact OG1-OD2 2.81Å; K87-D89 VanDerWaalsContact C-N 3.27Å; K87-D89 PolarHBondContact O-N 3.21Å; D89-N91 PolarHBondContact O-N 2.97Å; D89-T92 WeakPolarHBondContact O-CB 3.42Å; D89-T92 PolarHBondContact O-N 3.16Å; D89-T92 VanDerWaalsContact O-N 3.07Å; D89-T92 VanDerWaalsContact OD1-CB 3.24Å; D89-T92 WeakPolarHBondContact OD1-CB 3.43Å; D89-T92 PolarHBondContact OD1-N 3.46Å; D89-T92 PolarHBondContact OD1-OG1 3.29Å; D89-I93 PolarHBondContact O-N 3.42Å
90	R	87.6	Confident	86.3	Confident	217 Å²	217	67 Å²	67	82%	0.819	34%	0.34	S	S	*	.	H	α-helix	trans	-55.7	-43.3	-178.6	-64.3	-179.8	95.8	164.5	6.3	111.3	T92 I93 D94	R90-T92 PolarHBondContact O-N 2.86Å; R90-I93 PolarHBondContact O-N 3.29Å; R90-D94 PolarHBondContact O-N 2.77Å
91	N	87.2	Confident	86.9	Confident	74 Å²	74	66.3 Å²	66.3	40%	0.396	34%	0.338	S	S	.	.	H	α-helix	trans	-58.6	-45.9	176.1	-179.1	60.2	0	0	0	111.7	D89 I93 D94 W95	D89-N91 PolarHBondContact O-N 2.97Å; N91-I93 VanDerWaalsContact C-N 3.34Å; N91-I93 PolarHBondContact O-N 2.84Å; N91-D94 PolarHBondContact O-N 2.88Å; N91-W95 PolarHBondContact O-N 3.47Å; N91-W95 PolarHBondContact OD1-NE1 2.86Å
92	T	87.9	Confident	87.2	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-60	-42.4	177.2	-59.7	0	0	0	0	111.7	I73 M76 Q77 D89 R90 W95 M96	I73-T92 HydrophobicContact CG2-CG2 4.39Å; M76-T92 HydrophobicContact CE-CG2 4.27Å; M76-T92 HydrophobicContact SD-CG2 4.44Å; Q77-T92 PolarHBondContact NE2-OG1 3.39Å; D89-T92 WeakPolarHBondContact O-CB 3.42Å; D89-T92 PolarHBondContact O-N 3.16Å; D89-T92 VanDerWaalsContact O-N 3.07Å; D89-T92 VanDerWaalsContact OD1-CB 3.24Å; D89-T92 WeakPolarHBondContact OD1-CB 3.43Å; D89-T92 PolarHBondContact OD1-N 3.46Å; D89-T92 PolarHBondContact OD1-OG1 3.29Å; R90-T92 PolarHBondContact O-N 2.86Å; T92-W95 PolarHBondContact O-N 2.86Å; T92-M96 HydrophobicContact CG2-CE 3.83Å; T92-M96 HydrophobicContact CG2-SD 4.35Å; T92-M96 VanDerWaalsContact O-CG 3.29Å; T92-M96 WeakPolarHBondContact O-CG 3.42Å; T92-M96 PolarHBondContact O-N 3.47Å
93	I	88.3	Confident	87.3	Confident	48 Å²	48	63.6 Å²	63.6	25%	0.246	31%	0.311	C	S	.	.	H	α-helix	trans	-65.6	-44.1	176.1	-63.5	174.1	0	0	0	110.9	F41 V88 D89 R90 N91 W95 M96 K97	F41-I93 HydrophobicContact CD1-CG2 4.27Å; V88-I93 HydrophobicContact CG1-CD1 3.73Å; V88-I93 HydrophobicContact CG1-CG1 3.47Å; V88-I93 VanDerWaalsContact CG1-CG1 3.47Å; D89-I93 PolarHBondContact O-N 3.42Å; R90-I93 PolarHBondContact O-N 3.29Å; N91-I93 VanDerWaalsContact C-N 3.34Å; N91-I93 PolarHBondContact O-N 2.84Å; I93-W95 VanDerWaalsContact C-N 3.26Å; I93-W95 PolarHBondContact O-N 3.5Å; I93-M96 PolarHBondContact O-N 3.01Å; I93-M96 VanDerWaalsContact O-N 3.1Å; I93-K97 HydrophobicContact CG2-CD 4.04Å; I93-K97 HydrophobicContact CG2-CG 4.4Å; I93-K97 WeakPolarHBondContact O-CG 3.15Å; I93-K97 PolarHBondContact O-N 3.48Å
94	D	86.6	Confident	87.2	Confident	97 Å²	97	60.3 Å²	60.3	52%	0.519	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-40.4	178.9	-65.6	-22.9	0	0	0	110.6	R90 N91 K97 K98	R90-D94 PolarHBondContact O-N 2.77Å; N91-D94 PolarHBondContact O-N 2.88Å; D94-K97 PolarHBondContact O-N 2.93Å; D94-K98 PolarHBondContact O-N 3.32Å
95	W	86.1	Confident	87	Confident	66 Å²	66	55.4 Å²	55.4	25%	0.25	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-45.5	171.2	-84.6	97.4	0	0	0	112.6	I82 N91 T92 I93 K97 K98 F267	I82-W95 HydrophobicContact CD1-CB 4.38Å; I82-W95 HydrophobicContact CD1-CG 4.31Å; I82-W95 HydrophobicContact CG2-CD2 3.84Å; I82-W95 VanDerWaalsContact CG2-CE2 3.49Å; I82-W95 HydrophobicContact CG2-CG 4.04Å; I82-W95 HydrophobicContact CG2-CZ2 3.93Å; N91-W95 PolarHBondContact O-N 3.47Å; N91-W95 PolarHBondContact OD1-NE1 2.86Å; T92-W95 PolarHBondContact O-N 2.86Å; I93-W95 VanDerWaalsContact C-N 3.26Å; I93-W95 PolarHBondContact O-N 3.5Å; W95-K97 PolarHBondContact O-N 2.74Å; W95-K98 HydrophobicContact CD2-CD 4.28Å; W95-K98 HydrophobicContact CE3-CD 3.79Å; W95-K98 HydrophobicContact CZ3-CD 4.05Å; W95-K98 WeakPolarHBondContact O-CB 3.4Å; W95-K98 PolarHBondContact O-N 2.69Å; W95-K98 VanDerWaalsContact O-N 3.1Å; W95-F267 AromaticContact CE3-CD2 3.91Å; W95-F267 HydrophobicContact CE3-CD2 3.91Å; W95-F267 AromaticContact CE3-CE2 3.93Å; W95-F267 HydrophobicContact CE3-CE2 3.93Å; W95-F267 HydrophobicContact CE3-CG 4.33Å; W95-F267 HydrophobicContact CE3-CZ 4.41Å; W95-F267 AromaticContact CZ3-CD2 3.99Å; W95-F267 HydrophobicContact CZ3-CD2 3.99Å; W95-F267 HydrophobicContact CZ3-CE2 4.42Å; W95-F267 HydrophobicContact CZ3-CG 4.37Å; W95-F267 WeakPolarHBondContact O-CE1 3.24Å; W95-F267 WeakPolarHBondContact O-CZ 3.45Å
96	M	87.3	Confident	86.2	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.02	27%	0.274	C	S	.	.	H	α-helix	trans	-64	-24.2	179.3	-72.8	178.5	174.1	0	0	114.1	F41 V43 W46 L47 M76 T92 I93	F41-M96 HydrophobicContact CE1-CB 3.84Å; F41-M96 HydrophobicContact CE1-CG 4.34Å; F41-M96 HydrophobicContact CE1-SD 3.6Å; F41-M96 VanDerWaalsContact CE1-SD 3.6Å; F41-M96 HydrophobicContact CE2-CB 4.2Å; F41-M96 HydrophobicContact CZ-CB 3.39Å; F41-M96 HydrophobicContact CZ-CG 4.13Å; F41-M96 HydrophobicContact CZ-SD 3.85Å; V43-M96 HydrophobicContact CG1-CE 3.95Å; V43-M96 HydrophobicContact CG1-SD 4.02Å; V43-M96 HydrophobicContact CG2-SD 4.44Å; W46-M96 HydrophobicContact CD2-CB 4.21Å; W46-M96 HydrophobicContact CD2-CG 3.9Å; W46-M96 HydrophobicContact CD2-SD 4.19Å; W46-M96 HydrophobicContact CE3-CE 3.91Å; W46-M96 HydrophobicContact CE3-CG 4.07Å; W46-M96 HydrophobicContact CE3-SD 4.16Å; W46-M96 HydrophobicContact CH2-CG 4.13Å; W46-M96 HydrophobicContact CZ2-CB 4.13Å; W46-M96 HydrophobicContact CZ2-CG 3.92Å; W46-M96 HydrophobicContact CZ3-CE 4.1Å; W46-M96 HydrophobicContact CZ3-CG 4.22Å; W46-M96 PolarHBondContact NE1-O 3.14Å; L47-M96 HydrophobicContact CD2-CE 4.03Å; L47-M96 HydrophobicContact CG-CE 4.37Å; M76-M96 HydrophobicContact CE-CE 3.46Å; M76-M96 VanDerWaalsContact CE-CE 3.46Å; M76-M96 HydrophobicContact CE-CG 3.29Å; M76-M96 HydrophobicContact CE-SD 4.23Å; M76-M96 HydrophobicContact CG-CE 4.3Å; M76-M96 HydrophobicContact SD-CE 4.1Å; T92-M96 HydrophobicContact CG2-CE 3.83Å; T92-M96 HydrophobicContact CG2-SD 4.35Å; T92-M96 VanDerWaalsContact O-CG 3.29Å; T92-M96 WeakPolarHBondContact O-CG 3.42Å; T92-M96 PolarHBondContact O-N 3.47Å; I93-M96 PolarHBondContact O-N 3.01Å; I93-M96 VanDerWaalsContact O-N 3.1Å
97	K	86.3	Confident	84.8	Confident	120 Å²	120	58.5 Å²	58.5	52%	0.522	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.5	176.9	-71.6	179.2	176.7	-177.1	0	113.7	F41 I93 D94 W95	F41-K97 HydrophobicContact CD2-CG 4.14Å; F41-K97 HydrophobicContact CE2-CG 4.35Å; I93-K97 HydrophobicContact CG2-CD 4.04Å; I93-K97 HydrophobicContact CG2-CG 4.4Å; I93-K97 WeakPolarHBondContact O-CG 3.15Å; I93-K97 PolarHBondContact O-N 3.48Å; D94-K97 PolarHBondContact O-N 2.93Å; W95-K97 PolarHBondContact O-N 2.74Å
98	K	85.4	Confident	82.8	Confident	82 Å²	82	60.2 Å²	60.2	36%	0.357	29%	0.288	S	S	.	.	S	Bend	trans	-65.5	144.5	176.3	-74.9	-175.6	-179.3	-179.2	0	110.5	D94 W95 F267	D94-K98 PolarHBondContact O-N 3.32Å; W95-K98 HydrophobicContact CD2-CD 4.28Å; W95-K98 HydrophobicContact CE3-CD 3.79Å; W95-K98 HydrophobicContact CZ3-CD 4.05Å; W95-K98 WeakPolarHBondContact O-CB 3.4Å; W95-K98 PolarHBondContact O-N 2.69Å; W95-K98 VanDerWaalsContact O-N 3.1Å; K98-F267 HydrophobicContact CB-CD1 3.73Å; K98-F267 HydrophobicContact CB-CE1 4.13Å
99	P	90.3	Very high	80.6	Confident	38 Å²	38	60.3 Å²	60.3	25%	0.247	30%	0.301	C	S	.	.			trans	-57.8	140	172.6	24.1	-32.5	0	0	0	110.8	G204 L206 Y268	P99-G204 CarbonylContact C-O 3.54Å; P99-G204 WeakPolarHBondContact CA-O 3.35Å; P99-L206 HydrophobicContact CB-CD1 3.99Å; P99-L206 HydrophobicContact CB-CD2 3.61Å; P99-L206 HydrophobicContact CB-CG 3.89Å; P99-Y268 HydrophobicContact CG-CD1 4.23Å; P99-Y268 WeakPolarHBondContact O-CB 3.19Å; P99-Y268 PolarHBondContact O-N 3.07Å
100	R	91.9	Very high	78.3	Confident	1 Å²	1	62 Å²	62	0%	0.004	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-155.9	166.9	-174.6	61.6	165	-69.5	163.8	9.2	112.8	Y50 Y80 V103 D105 G204 L206 P266 F267	Y50-R100 VanDerWaalsContact CZ-CD 3.47Å; Y80-R100 PolarHBondContact OH-NH1 2.93Å; R100-V103 PolarHBondContact NH2-O 2.88Å; R100-D105 IonicContact CZ-OD1 3.81Å; R100-D105 IonicContact CZ-OD2 3.99Å; R100-D105 IonicContact NH1-OD1 3.48Å; R100-D105 IonicContact NH1-OD2 3.86Å; R100-D105 PolarHBondContact NH1-OD2 3.48Å; R100-D105 IonicContact NH2-OD1 2.78Å; R100-D105 PolarHBondContact NH2-OD1 3.06Å; R100-D105 IonicContact NH2-OD2 3.51Å; R100-D105 PolarHBondContact NH2-OD2 3.14Å; R100-G204 WeakPolarHBondContact CG-O 3.36Å; R100-G204 PolarHBondContact N-O 2.74Å; R100-G204 VanDerWaalsContact O-O 3.14Å; R100-L206 PolarHBondContact O-N 2.74Å; R100-P266 CarbonylContact C-O 3.58Å; R100-P266 WeakPolarHBondContact CA-O 3.39Å; R100-P266 WeakPolarHBondContact CB-O 3.18Å; R100-F267 HydrophobicContact CB-CD1 3.75Å; R100-F267 HydrophobicContact CB-CE1 4.18Å; R100-F267 HydrophobicContact CB-CG 4.46Å; R100-F267 HydrophobicContact CG-CD1 4.47Å; R100-F267 HydrophobicContact CG-CE1 4.44Å
101	C	91.9	Very high	75.6	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.034	31%	0.312	C	S	.	.			trans	-68.6	144.4	167.1	178.2	0	0	0	0	111.2	V103 H246 E247 H256 P266	C101-V103 PolarHBondContact SG-N 3.39Å; C101-V103 VanDerWaalsContact SG-N 3.39Å; C101-H246 VanDerWaalsContact CB-NE2 3.32Å; C101-H246 WeakPolarHBondContact CB-NE2 3.39Å; C101-E247 PolarHBondContact SG-OE1 3.16Å; C101-E247 PolarHBondContact SG-OE2 2.93Å; C101-E247 VanDerWaalsContact SG-OE2 3.37Å; C101-H256 WeakPolarHBondContact CB-NE2 3.49Å; C101-P266 PolarHBondContact N-O 3.21Å
102	G	86.6	Confident	73.3	Confident	12 Å²	12	62.1 Å²	62.1	12%	0.124	33%	0.333	C	S	.	.	S	Bend	trans	-79.2	-11.7	178.9	0	0	0	0	0	116.1	A207	G102-A207 PolarHBondContact N-O 3.44Å
103	V	86.7	Confident	70.6	Confident	11 Å²	11	71 Å²	71	7%	0.067	37%	0.372	C	S	.	.	S	Bend	trans	-65.7	137.4	179.2	177.6	0	0	0	0	109.8	R100 C101 H208 F211 H256	R100-V103 PolarHBondContact NH2-O 2.88Å; C101-V103 PolarHBondContact SG-N 3.39Å; C101-V103 VanDerWaalsContact SG-N 3.39Å; V103-H208 HydrophobicContact CG2-CB 4.18Å; V103-F211 HydrophobicContact CG1-CZ 3.91Å; V103-H256 PolarHBondContact O-CE1 3.25Å; V103-H256 PolarHBondContact O-ND1 2.78Å
104	P	83.6	Confident	67.9	Low	59 Å²	59	75.9 Å²	75.9	38%	0.383	40%	0.398	S	S	.	.			trans	-65.9	140.6	177.9	-22.9	33.7	0	0	0	113.1	Q106	P104-Q106 VanDerWaalsContact C-N 3.34Å; P104-Q106 PolarHBondContact O-N 2.89Å
105	D	82.8	Confident	65.6	Low	16 Å²	16	78.2 Å²	78.2	9%	0.086	41%	0.409	C	S	.	.	S	Bend	trans	-75.3	-26	-179.6	-54.4	-32.5	0	0	0	112.8	Y50 Y52 F79 Y80 R100 H256 P266	Y50-D105 PolarHBondContact O-N 3Å; Y50-D105 VanDerWaalsContact O-N 3.09Å; Y52-D105 HydrophobicContact CE2-CB 4.21Å; Y52-D105 VanDerWaalsContact CE2-OD2 3.23Å; Y52-D105 WeakPolarHBondContact CE2-OD2 3.28Å; Y52-D105 WeakPolarHBondContact OH-CB 3.3Å; Y52-D105 PolarHBondContact OH-OD2 2.9Å; F79-D105 HydrophobicContact CE1-CB 4.23Å; F79-D105 HydrophobicContact CE2-CB 4.41Å; F79-D105 HydrophobicContact CZ-CB 4.16Å; Y80-D105 PolarHBondContact OH-OD2 3.01Å; R100-D105 IonicContact CZ-OD1 3.81Å; R100-D105 IonicContact CZ-OD2 3.99Å; R100-D105 IonicContact NH1-OD1 3.48Å; R100-D105 IonicContact NH1-OD2 3.86Å; R100-D105 PolarHBondContact NH1-OD2 3.48Å; R100-D105 IonicContact NH2-OD1 2.78Å; R100-D105 PolarHBondContact NH2-OD1 3.06Å; R100-D105 IonicContact NH2-OD2 3.51Å; R100-D105 PolarHBondContact NH2-OD2 3.14Å; D105-H256 IonicContact OD1-CE1 2.67Å; D105-H256 PolarHBondContact OD1-CE1 3.02Å; D105-H256 IonicContact OD1-CG 3.66Å; D105-H256 IonicContact OD1-ND1 2.9Å; D105-H256 PolarHBondContact OD1-ND1 3.31Å; D105-P266 WeakPolarHBondContact OD1-CG 3.12Å
106	Q	68.9	Low	63.2	Low	76 Å²	76	85.7 Å²	85.7	36%	0.355	44%	0.438	S	S	.	.	S	Bend	trans	-119	101.6	179.2	-59.7	-170.8	18.5	0	0	110.2	Y52 P104 R108	Y52-Q106 HydrophobicContact CE1-CG 4.34Å; P104-Q106 VanDerWaalsContact C-N 3.34Å; P104-Q106 PolarHBondContact O-N 2.89Å; Q106-R108 PolarHBondContact O-N 3.42Å
107	T	54.7	Low	61.1	Low	50 Å²	50	95.9 Å²	95.9	31%	0.307	48%	0.476	S	S	.	.			trans	-68.9	128.7	168.7	42.6	0	0	0	0	109.5	G109 S110 E255	T107-G109 PolarHBondContact O-N 3.47Å; T107-S110 PolarHBondContact O-N 2.63Å; T107-E255 PolarHBondContact OG1-OE1 3.4Å
108	R	46.2	Very low	59.3	Low	176 Å²	176	95.2 Å²	95.2	66%	0.664	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	65	-176	-71.1	177.6	152.7	-135.5	-22	112.5	Q106	Q106-R108 PolarHBondContact O-N 3.42Å
109	G	40	Very low	57.4	Low	63 Å²	63	100.6 Å²	100.6	65%	0.649	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-149.8	-8.7	173.3	0	0	0	0	0	112.8	T107 S111	T107-G109 PolarHBondContact O-N 3.47Å; G109-S111 VanDerWaalsContact C-N 3.35Å; G109-S111 PolarHBondContact O-N 2.72Å
110	S	38	Very low	55.7	Low	87 Å²	87	100.8 Å²	100.8	61%	0.608	49%	0.487	S	S	*	.	S	Bend	trans	-77.2	88.6	170.3	-59.7	0	0	0	0	109	T107 K112	T107-S110 PolarHBondContact O-N 2.63Å; S110-K112 PolarHBondContact O-N 2.71Å
111	S	31.3	Very low	54	Low	103 Å²	103	101.3 Å²	101.3	72%	0.72	49%	0.492	S	S	*	.			trans	-38.3	131.6	172.2	-34.5	0	0	0	0	111.1	G109 F113	G109-S111 VanDerWaalsContact C-N 3.35Å; G109-S111 PolarHBondContact O-N 2.72Å; S111-F113 PolarHBondContact O-N 2.87Å
112	K	39.6	Very low	52.4	Low	189 Å²	189	103.5 Å²	103.5	82%	0.822	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.2	133.7	160.4	-68.4	179.4	175.6	179.9	0	108	S110	S110-K112 PolarHBondContact O-N 2.71Å
113	F	30.7	Very low	51	Low	188 Å²	188	104.5 Å²	104.5	83%	0.825	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	35.1	174.6	-51.6	-76.6	0	0	0	120	S111	S111-F113 PolarHBondContact O-N 2.87Å
114	N	30.2	Very low	49.9	Very low	150 Å²	150	107.8 Å²	107.8	80%	0.802	54%	0.542	S	S	*	.			trans	-159.9	88.2	148.9	-92.2	-40.5	0	0	0	111.9	R116	N114-R116 PolarHBondContact O-N 3.42Å
115	I	40.1	Very low	49.4	Very low	146 Å²	146	109.4 Å²	109.4	75%	0.749	55%	0.545	S	S	*	.			trans	-73	69.3	163.7	-54.9	167	0	0	0	107.4
116	R	35.3	Very low	49.7	Very low	224 Å²	224	113.3 Å²	113.3	85%	0.845	56%	0.561	S	S	*	*			trans	-83.4	115.1	160.3	-158.9	176.3	-169.8	172.3	3.7	104.9	N114 K118	N114-R116 PolarHBondContact O-N 3.42Å; R116-K118 PolarHBondContact O-N 3.31Å
117	R	43.3	Very low	50.8	Low	218 Å²	218	110.6 Å²	110.6	82%	0.823	55%	0.548	S	S	*	.			trans	-44.8	108.2	171	-77.8	-179.3	176.4	170.6	-2.5	107.5	R119	R117-R119 PolarHBondContact O-N 3.04Å
118	K	47.2	Very low	52.5	Low	106 Å²	106	115.9 Å²	115.9	46%	0.461	57%	0.569	S	S	.	*			trans	-61.9	132	169.9	-70.1	-171.6	-174.3	177.7	0	105.1	R116 Y120 E255	R116-K118 PolarHBondContact O-N 3.31Å; K118-Y120 WeakPolarHBondContact CB-O 3.35Å; K118-Y120 PolarHBondContact O-N 3.16Å; K118-E255 IonicContact NZ-OE2 2.69Å; K118-E255 PolarHBondContact NZ-OE2 3.43Å
119	R	46.7	Very low	54.7	Low	195 Å²	195	111.1 Å²	111.1	74%	0.736	55%	0.554	S	S	*	*	S	Bend	trans	-67.7	-25	-180	-165.9	-177.4	-73.6	175.6	-5.4	111.2	R117	R117-R119 PolarHBondContact O-N 3.04Å
120	Y	54.1	Low	57.2	Low	42 Å²	42	113 Å²	113	17%	0.165	54%	0.544	C	S	.	.	S	Bend	trans	-148.8	158.1	178.4	-40.5	-74.1	0	0	0	110.1	K118 L122 Q284	K118-Y120 WeakPolarHBondContact CB-O 3.35Å; K118-Y120 PolarHBondContact O-N 3.16Å; Y120-L122 PolarHBondContact O-N 2.88Å; Y120-Q284 HydrophobicContact CD1-CB 3.76Å; Y120-Q284 HydrophobicContact CE1-CB 3.19Å; Y120-Q284 HydrophobicContact CE1-CG 4.01Å; Y120-Q284 PolarHBondContact OH-OE1 2.84Å
121	A	56.9	Low	60	Low	12 Å²	12	112.9 Å²	112.9	10%	0.099	53%	0.534	C	S	.	.			trans	-88.7	97.2	-176.8	0	0	0	0	0	111	L254 E255 H256	A121-L254 CarbonylContact O-C 3.58Å; A121-L254 WeakPolarHBondContact O-CA 3.45Å; A121-E255 HydrophobicContact CB-CB 3.69Å; A121-E255 WeakPolarHBondContact CB-O 3.42Å; A121-E255 PolarHBondContact O-N 3.22Å; A121-H256 WeakPolarHBondContact CB-O 3.31Å
122	L	58.4	Low	63.1	Low	51 Å²	51	108 Å²	108	27%	0.267	50%	0.499	S	S	.	.	B	Isolated β-bridge	trans	-125.7	126.7	-174.8	-59.7	177.9	0	0	0	111.3	Y120 L254 K288 I289	Y120-L122 PolarHBondContact O-N 2.88Å; L122-L254 HydrophobicContact CD2-CD2 4.12Å; L122-K288 HydrophobicContact CD1-CB 4.27Å; L122-K288 HydrophobicContact CD1-CG 3.75Å; L122-I289 HydrophobicContact CD2-CD1 3.64Å; L122-I289 HydrophobicContact CD2-CG1 3.48Å; L122-I289 VanDerWaalsContact CD2-CG1 3.48Å
123	T	57.1	Low	65.8	Low	32 Å²	32	99.6 Å²	99.6	20%	0.196	46%	0.464	C	S	.	.			trans	-78.3	-24.7	177.4	57.5	0	0	0	0	113.8	Q125 F211 G253 E255	T123-Q125 VanDerWaalsContact C-N 3.29Å; T123-Q125 PolarHBondContact OG1-N 3.05Å; T123-Q125 PolarHBondContact OG1-O 3.27Å; T123-F211 HydrophobicContact CG2-CD1 3.41Å; T123-F211 VanDerWaalsContact CG2-CD1 3.41Å; T123-F211 HydrophobicContact CG2-CD2 3.93Å; T123-F211 HydrophobicContact CG2-CE1 3.29Å; T123-F211 HydrophobicContact CG2-CE2 3.83Å; T123-F211 HydrophobicContact CG2-CG 3.73Å; T123-F211 HydrophobicContact CG2-CZ 3.51Å; T123-G253 WeakPolarHBondContact CG2-O 3.43Å; T123-G253 PolarHBondContact N-O 2.92Å; T123-G253 PolarHBondContact OG1-O 3.09Å; T123-E255 HydrophobicContact CG2-CG 3.35Å
124	G	63.4	Low	69	Low	80 Å²	80	90.6 Å²	90.6	83%	0.825	43%	0.425	S	S	*	.	S	Bend	trans	83.5	-2.4	-167.3	0	0	0	0	0	114.5
125	Q	72.8	Confident	72	Confident	93 Å²	93	83.5 Å²	83.5	44%	0.435	39%	0.387	S	S	.	.			trans	-95.9	138.8	173.8	-60.9	176.4	45.2	0	0	109.5	T123 F211 P212	T123-Q125 VanDerWaalsContact C-N 3.29Å; T123-Q125 PolarHBondContact OG1-N 3.05Å; T123-Q125 PolarHBondContact OG1-O 3.27Å; Q125-F211 HydrophobicContact CB-CB 4.45Å; Q125-P212 PolarHBondContact OE1-O 2.99Å
126	K	89.3	Confident	74.7	Confident	98 Å²	98	76.6 Å²	76.6	43%	0.426	35%	0.351	S	S	.	.			trans	-153	152.9	179.2	73.2	171.8	-169.4	169	0	111.5	Q128 I289 Y290	K126-Q128 PolarHBondContact O-NE2 2.94Å; K126-Q128 VanDerWaalsContact O-NE2 3.07Å; K126-I289 HydrophobicContact CB-CG2 3.47Å; K126-I289 VanDerWaalsContact CB-CG2 3.47Å; K126-I289 HydrophobicContact CD-CG2 4.1Å; K126-I289 HydrophobicContact CG-CG2 4.43Å; K126-Y290 HydrophobicContact CB-CE1 4.13Å
127	W	92	Very high	77.3	Confident	20 Å²	20	70.7 Å²	70.7	8%	0.076	33%	0.332	C	S	.	.			trans	-63.6	136.7	167.6	-64.5	108.7	0	0	0	110.5	H129 I132 D183 I184 P212 G213 G217 A251 Y290	W127-H129 AromaticContact CE3-CE1 3.85Å; W127-I132 HydrophobicContact CB-CD1 4.12Å; W127-I132 HydrophobicContact CB-CG1 4.47Å; W127-I132 VanDerWaalsContact CD1-CD1 3.46Å; W127-I132 HydrophobicContact CG-CD1 3.8Å; W127-I132 HydrophobicContact CG-CG1 4.28Å; W127-D183 HydrophobicContact CE3-CB 4.5Å; W127-D183 HydrophobicContact CH2-CB 3.83Å; W127-D183 VanDerWaalsContact CH2-O 3.3Å; W127-D183 WeakPolarHBondContact CH2-O 3.39Å; W127-D183 HydrophobicContact CZ2-CB 4.16Å; W127-D183 HydrophobicContact CZ3-CB 4.01Å; W127-I184 HydrophobicContact CZ2-CG1 4.22Å; W127-P212 HydrophobicContact CD2-CB 3.92Å; W127-P212 HydrophobicContact CG-CB 4.08Å; W127-P212 HydrophobicContact CZ2-CB 4.2Å; W127-G213 WeakPolarHBondContact CH2-O 3.41Å; W127-G217 WeakPolarHBondContact CH2-O 3.38Å; W127-A251 PolarHBondContact NE1-O 3.31Å; W127-Y290 HydrophobicContact CB-CE1 4.22Å; W127-Y290 PolarHBondContact N-OH 3.48Å; W127-Y290 VanDerWaalsContact N-OH 3.13Å
128	Q	90.7	Very high	79.6	Confident	161 Å²	161	63.1 Å²	63.1	75%	0.752	31%	0.308	S	S	*	.	S	Bend	trans	-84.8	-20.2	-179.7	-59.2	-54.7	-48.6	0	0	112.1	K126	K126-Q128 PolarHBondContact O-NE2 2.94Å; K126-Q128 VanDerWaalsContact O-NE2 3.07Å
129	H	91.6	Very high	81.8	Confident	76 Å²	76	59.7 Å²	59.7	35%	0.352	30%	0.296	S	S	.	.	S	Bend	trans	-108.9	155.2	175.8	50.3	-87.6	0	0	0	111.2	W127 H131 D183	W127-H129 AromaticContact CE3-CE1 3.85Å; H129-H131 PolarHBondContact CD2-O 2.86Å; H129-D183 IonicContact CD2-OD2 3.92Å; H129-D183 IonicContact CE1-OD1 3.23Å; H129-D183 PolarHBondContact CE1-OD1 3.47Å; H129-D183 IonicContact NE2-OD1 3.21Å; H129-D183 PolarHBondContact NE2-OD1 3.16Å; H129-D183 IonicContact NE2-OD2 3.4Å; H129-D183 PolarHBondContact NE2-OD2 3.16Å; H129-D183 VanDerWaalsContact NE2-OD2 3.11Å
130	K	93.3	Very high	83.9	Confident	102 Å²	102	50.5 Å²	50.5	44%	0.443	26%	0.261	S	S	.	.	S	Bend	trans	-88.1	-24.1	179.2	-70.4	-179	169.5	-171.9	0	113.2	P164 L165 T166 D294	K130-P164 HydrophobicContact CD-CB 4.08Å; K130-P164 HydrophobicContact CD-CG 4.37Å; K130-L165 HydrophobicContact CB-CD2 4.35Å; K130-L165 CarbonylContact O-C 3.57Å; K130-L165 VanDerWaalsContact O-CA 3.27Å; K130-L165 WeakPolarHBondContact O-CA 3.11Å; K130-T166 PolarHBondContact O-N 3.28Å; K130-D294 IonicContact NZ-OD1 3.9Å; K130-D294 PolarHBondContact NZ-OD1 3.22Å; K130-D294 IonicContact NZ-OD2 2.8Å; K130-D294 PolarHBondContact NZ-OD2 3.25Å
131	H	96.4	Very high	85.6	Confident	84 Å²	84	54.2 Å²	54.2	39%	0.389	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	97.1	-176.8	178.3	78.2	0	0	0	110.5	H129 T166 E168	H129-H131 PolarHBondContact CD2-O 2.86Å; H131-T166 WeakPolarHBondContact CA-OG1 3.49Å; H131-T166 PolarHBondContact ND1-OG1 2.98Å; H131-T166 VanDerWaalsContact ND1-OG1 3.09Å; H131-E168 IonicContact CE1-OE2 3.57Å; H131-E168 PolarHBondContact CE1-OE2 2.95Å; H131-E168 VanDerWaalsContact CE1-OE2 3.23Å; H131-E168 IonicContact NE2-OE2 3.69Å; H131-E168 PolarHBondContact NE2-OE2 3.46Å
132	I	96.6	Very high	87.3	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.2	-172.7	-60.7	172.8	0	0	0	108.7	W127 L165 T166 F167 E168 D183 I184 L252	W127-I132 HydrophobicContact CB-CD1 4.12Å; W127-I132 HydrophobicContact CB-CG1 4.47Å; W127-I132 VanDerWaalsContact CD1-CD1 3.46Å; W127-I132 HydrophobicContact CG-CD1 3.8Å; W127-I132 HydrophobicContact CG-CG1 4.28Å; I132-L165 HydrophobicContact CD1-CD1 3.92Å; I132-L165 HydrophobicContact CD1-CD2 4.05Å; I132-L165 HydrophobicContact CD1-CG 4.41Å; I132-T166 PolarHBondContact N-O 3.42Å; I132-F167 HydrophobicContact CB-CD1 3.75Å; I132-F167 HydrophobicContact CB-CE1 3.84Å; I132-F167 HydrophobicContact CD1-CE1 3.73Å; I132-F167 HydrophobicContact CD1-CZ 4.31Å; I132-F167 HydrophobicContact CG1-CE1 4.33Å; I132-F167 HydrophobicContact CG2-CD1 3.93Å; I132-F167 HydrophobicContact CG2-CE1 3.98Å; I132-F167 VanDerWaalsContact O-CA 3.26Å; I132-F167 WeakPolarHBondContact O-CA 3.34Å; I132-E168 PolarHBondContact O-N 3.18Å; I132-D183 WeakPolarHBondContact CA-OD2 3.28Å; I132-D183 HydrophobicContact CG2-CB 3.76Å; I132-I184 HydrophobicContact CG2-CD1 3.84Å; I132-I184 HydrophobicContact CG2-CG1 4.28Å; I132-L252 HydrophobicContact CD1-CD2 3.76Å
133	T	95.9	Very high	88.8	Confident	13 Å²	13	57.4 Å²	57.4	8%	0.08	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.3	176.6	53.3	0	0	0	0	110.5	E168 V170 V182 D183 I184	T133-E168 CarbonylContact C-O 3.59Å; T133-E168 WeakPolarHBondContact CA-O 3.39Å; T133-E168 HydrophobicContact CG2-CB 4.41Å; T133-V170 HydrophobicContact CG2-CG2 4.26Å; T133-V182 WeakPolarHBondContact OG1-CA 3.2Å; T133-D183 PolarHBondContact N-OD2 3.49Å; T133-D183 WeakPolarHBondContact O-CB 3.23Å; T133-D183 PolarHBondContact O-N 2.87Å; T133-D183 PolarHBondContact OG1-N 3.44Å; T133-D183 PolarHBondContact OG1-OD2 3.3Å; T133-D183 VanDerWaalsContact OG1-OD2 3.1Å; T133-I184 PolarHBondContact O-N 3.06Å; T133-I184 VanDerWaalsContact O-N 3.08Å
134	Y	96.9	Very high	90.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	155.6	174.7	76.7	-88.6	0	0	0	111.9	I136 I152 R153 F156 F167 E168 E169 V170 I184 I186	Y134-I136 HydrophobicContact CD2-CG1 4.28Å; Y134-I136 HydrophobicContact CE2-CD1 4.11Å; Y134-I136 HydrophobicContact CE2-CG1 4.07Å; Y134-I152 HydrophobicContact CE2-CG2 4.17Å; Y134-R153 WeakPolarHBondContact OH-CD 3.39Å; Y134-F156 AromaticContact CD1-CD2 3.87Å; Y134-F156 HydrophobicContact CD1-CD2 3.87Å; Y134-F156 HydrophobicContact CD1-CE1 4.29Å; Y134-F156 AromaticContact CD1-CE2 3.49Å; Y134-F156 HydrophobicContact CD1-CE2 3.49Å; Y134-F156 VanDerWaalsContact CD1-CE2 3.49Å; Y134-F156 HydrophobicContact CD1-CG 4.41Å; Y134-F156 AromaticContact CD1-CZ 3.72Å; Y134-F156 HydrophobicContact CD1-CZ 3.72Å; Y134-F156 HydrophobicContact CD2-CD2 4.3Å; Y134-F156 AromaticContact CD2-CE2 3.48Å; Y134-F156 HydrophobicContact CD2-CE2 3.48Å; Y134-F156 VanDerWaalsContact CD2-CE2 3.48Å; Y134-F156 HydrophobicContact CD2-CZ 4.04Å; Y134-F156 AromaticContact CE1-CD2 3.6Å; Y134-F156 HydrophobicContact CE1-CD2 3.6Å; Y134-F156 AromaticContact CE1-CE2 3.66Å; Y134-F156 HydrophobicContact CE1-CE2 3.66Å; Y134-F156 HydrophobicContact CE1-CG 4.22Å; Y134-F156 HydrophobicContact CE1-CZ 4.32Å; Y134-F156 HydrophobicContact CE2-CD2 4.09Å; Y134-F156 AromaticContact CE2-CE2 3.68Å; Y134-F156 HydrophobicContact CE2-CE2 3.68Å; Y134-F156 HydrophobicContact CG-CD2 4.2Å; Y134-F156 HydrophobicContact CG-CE1 4.47Å; Y134-F156 AromaticContact CG-CE2 3.39Å; Y134-F156 HydrophobicContact CG-CE2 3.39Å; Y134-F156 AromaticContact CG-CZ 3.54Å; Y134-F156 HydrophobicContact CG-CZ 3.54Å; Y134-F156 AromaticContact CZ-CD2 3.73Å; Y134-F156 AromaticContact CZ-CE2 3.76Å; Y134-F167 HydrophobicContact CD1-CB 4.25Å; Y134-F167 HydrophobicContact CE1-CB 4.25Å; Y134-E168 WeakPolarHBondContact CD1-O 3.49Å; Y134-E168 PolarHBondContact N-O 3.25Å; Y134-E169 HydrophobicContact CD2-CG 4.27Å; Y134-E169 HydrophobicContact CE1-CB 3.89Å; Y134-E169 HydrophobicContact CE2-CB 3.87Å; Y134-E169 HydrophobicContact CE2-CG 3.6Å; Y134-E169 VanDerWaalsContact CZ-CB 3.49Å; Y134-E169 CarbonylContact O-C 3.58Å; Y134-E169 WeakPolarHBondContact O-CA 3.45Å; Y134-E169 WeakPolarHBondContact OH-CB 3.42Å; Y134-E169 PolarHBondContact OH-OE2 2.82Å; Y134-V170 PolarHBondContact O-N 3.06Å; Y134-I184 CarbonylContact C-O 3.58Å; Y134-I184 WeakPolarHBondContact CA-O 3.39Å; Y134-I184 WeakPolarHBondContact CB-O 3.33Å; Y134-I186 HydrophobicContact CD2-CD1 4.17Å
135	S	95.2	Very high	91.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	139.4	174.5	175.2	0	0	0	0	111.2	V170 Y172 I184 I186	S135-V170 VanDerWaalsContact CB-O 3.31Å; S135-V170 WeakPolarHBondContact CB-O 3.29Å; S135-V170 PolarHBondContact OG-O 3.12Å; S135-Y172 WeakPolarHBondContact OG-CA 3.41Å; S135-Y172 VanDerWaalsContact OG-CB 3.31Å; S135-Y172 WeakPolarHBondContact OG-CB 3.32Å; S135-Y172 PolarHBondContact OG-N 2.84Å; S135-I184 PolarHBondContact N-O 2.87Å; S135-I186 PolarHBondContact O-N 2.84Å
136	I	95.8	Very high	92.9	Very high	2 Å²	2	56 Å²	56	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	108.9	175.7	-58.2	170.5	0	0	0	108.3	Y134 N138 V139 R149 I152 I186	Y134-I136 HydrophobicContact CD2-CG1 4.28Å; Y134-I136 HydrophobicContact CE2-CD1 4.11Å; Y134-I136 HydrophobicContact CE2-CG1 4.07Å; I136-N138 WeakPolarHBondContact CG2-O 3.24Å; I136-V139 HydrophobicContact CG2-CG1 3.86Å; I136-R149 HydrophobicContact CD1-CB 4.32Å; I136-R149 HydrophobicContact CD1-CG 3.89Å; I136-I152 HydrophobicContact CD1-CB 4.2Å; I136-I152 HydrophobicContact CD1-CG2 3.96Å; I136-I152 HydrophobicContact CG1-CG2 4.39Å; I136-I186 HydrophobicContact CG1-CB 4.27Å; I136-I186 HydrophobicContact CG1-CD1 4.35Å
137	K	90.6	Very high	93.2	Very high	99 Å²	99	55.3 Å²	55.3	43%	0.43	29%	0.292	S	S	.	.			trans	-68.7	-46.8	-178.3	175	171.2	-178.6	-180	0	112.1	Y172 T185 I186 I187	K137-Y172 HydrophobicContact CB-CD2 3.85Å; K137-Y172 HydrophobicContact CB-CE2 3.72Å; K137-Y172 HydrophobicContact CB-CG 4.32Å; K137-Y172 HydrophobicContact CD-CE1 4.48Å; K137-Y172 HydrophobicContact CD-CE2 4.01Å; K137-Y172 WeakPolarHBondContact CE-OH 3.41Å; K137-Y172 HydrophobicContact CG-CD1 4.34Å; K137-Y172 HydrophobicContact CG-CD2 4.22Å; K137-Y172 HydrophobicContact CG-CE1 3.87Å; K137-Y172 HydrophobicContact CG-CE2 3.73Å; K137-T185 HydrophobicContact CB-CG2 4.33Å; K137-I186 WeakPolarHBondContact CB-O 3.44Å; K137-I186 PolarHBondContact N-O 3.2Å; K137-I187 HydrophobicContact CB-CG1 4.2Å; K137-I187 HydrophobicContact CD-CD1 4.06Å; K137-I187 HydrophobicContact CD-CG1 4.03Å; K137-I187 HydrophobicContact CD-CG2 4.31Å
138	N	91.8	Very high	93.4	Very high	59 Å²	59	54.4 Å²	54.4	32%	0.316	29%	0.288	S	S	.	.			trans	-150.1	170.9	178.1	65.1	-42.6	0	0	0	109.8	I136 F188	I136-N138 WeakPolarHBondContact CG2-O 3.24Å; N138-F188 PolarHBondContact ND2-O 2.95Å; N138-F188 WeakPolarHBondContact O-CD2 3.43Å; N138-F188 PolarHBondContact OD1-N 3.07Å; N138-F188 PolarHBondContact OD1-O 2.8Å
139	V	92.6	Very high	93.6	Very high	35 Å²	35	50.5 Å²	50.5	21%	0.212	27%	0.266	C	S	.	.			trans	-130.1	158.5	-174.4	-66.8	0	0	0	0	110.6	I136 D145 T148 R149	I136-V139 HydrophobicContact CG2-CG1 3.86Å; V139-D145 WeakPolarHBondContact CG1-OD1 3.36Å; V139-D145 HydrophobicContact CG2-CB 3.85Å; V139-D145 WeakPolarHBondContact CG2-OD1 3.07Å; V139-T148 HydrophobicContact CB-CG2 3.84Å; V139-T148 HydrophobicContact CG1-CG2 3.76Å; V139-R149 HydrophobicContact CG1-CG 4.38Å
140	T	90.7	Very high	93.8	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	28%	0.277	C	S	.	.			trans	-81	127.4	175.8	175.7	0	0	0	0	111.4	K142 V143 G144 T148 F188 W228 L240	T140-K142 PolarHBondContact O-N 3.46Å; T140-K142 PolarHBondContact OG1-N 2.87Å; T140-V143 HydrophobicContact CG2-CB 4.09Å; T140-V143 HydrophobicContact CG2-CG2 4.21Å; T140-G144 PolarHBondContact O-N 3.5Å; T140-G144 VanDerWaalsContact O-N 3.13Å; T140-T148 HydrophobicContact CG2-CG2 4.36Å; T140-T148 WeakPolarHBondContact CG2-OG1 3.34Å; T140-F188 HydrophobicContact CG2-CD1 4.17Å; T140-F188 HydrophobicContact CG2-CE1 3.71Å; T140-F188 HydrophobicContact CG2-CZ 4.23Å; T140-W228 HydrophobicContact CG2-CB 4.27Å; T140-W228 HydrophobicContact CG2-CG 4.34Å; T140-L240 HydrophobicContact CG2-CD2 4.02Å
141	P	90.4	Very high	94	Very high	120 Å²	120	48.6 Å²	48.6	78%	0.779	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-17	176.6	29.6	-34.9	0	0	0	112.8	V143	P141-V143 VanDerWaalsContact C-N 3.33Å; P141-V143 PolarHBondContact O-N 3.16Å
142	K	91.1	Very high	94	Very high	102 Å²	102	44.6 Å²	44.6	44%	0.443	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-34.7	-177.7	-67.2	168.3	172.1	161.8	0	112.4	T140 S224 D225 E226 W228	T140-K142 PolarHBondContact O-N 3.46Å; T140-K142 PolarHBondContact OG1-N 2.87Å; K142-S224 PolarHBondContact NZ-O 3.18Å; K142-D225 PolarHBondContact NZ-O 2.97Å; K142-E226 WeakPolarHBondContact CD-O 3.29Å; K142-E226 WeakPolarHBondContact CE-O 3.43Å; K142-E226 VanDerWaalsContact NZ-C 3.33Å; K142-E226 PolarHBondContact NZ-O 3.28Å; K142-W228 HydrophobicContact CB-CB 4.37Å
143	V	91.4	Very high	94.1	Very high	29 Å²	29	48 Å²	48	18%	0.176	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-27.6	177.6	177.1	0	0	0	0	111.5	T140 P141 E147 W228 L230	T140-V143 HydrophobicContact CG2-CB 4.09Å; T140-V143 HydrophobicContact CG2-CG2 4.21Å; P141-V143 VanDerWaalsContact C-N 3.33Å; P141-V143 PolarHBondContact O-N 3.16Å; V143-E147 HydrophobicContact CG1-CB 3.73Å; V143-W228 HydrophobicContact CG2-CB 3.83Å; V143-W228 WeakPolarHBondContact CG2-O 3.42Å; V143-L230 HydrophobicContact CG1-CD1 3.28Å; V143-L230 HydrophobicContact CG1-CD2 4.49Å; V143-L230 HydrophobicContact CG1-CG 3.55Å; V143-L230 HydrophobicContact CG2-CG 4.41Å
144	G	92.3	Very high	94.1	Very high	26 Å²	26	51.4 Å²	51.4	27%	0.268	26%	0.264	S	S	.	.			trans	94.4	154.8	-177.3	0	0	0	0	0	112.6	T140 T148	T140-G144 PolarHBondContact O-N 3.5Å; T140-G144 VanDerWaalsContact O-N 3.13Å; G144-T148 WeakPolarHBondContact O-CB 3.04Å; G144-T148 PolarHBondContact O-N 2.71Å; G144-T148 PolarHBondContact O-OG1 2.94Å
145	D	92.7	Very high	94.2	Very high	80 Å²	80	51.4 Å²	51.4	43%	0.428	26%	0.264	S	S	.	.	H	α-helix	trans	-60	-53	-171.8	177.5	75.3	0	0	0	113	V139 E147 T148 R149	V139-D145 WeakPolarHBondContact CG1-OD1 3.36Å; V139-D145 HydrophobicContact CG2-CB 3.85Å; V139-D145 WeakPolarHBondContact CG2-OD1 3.07Å; D145-E147 PolarHBondContact O-N 3.31Å; D145-T148 PolarHBondContact O-N 2.81Å; D145-R149 WeakPolarHBondContact O-CG 3.25Å; D145-R149 PolarHBondContact O-N 3.08Å; D145-R149 IonicContact OD1-CZ 3.83Å; D145-R149 IonicContact OD1-NE 3.74Å; D145-R149 PolarHBondContact OD1-NE 3Å; D145-R149 IonicContact OD1-NH2 3.48Å; D145-R149 IonicContact OD2-NE 3.25Å
146	A	94.7	Very high	94.3	Very high	69 Å²	69	51.4 Å²	51.4	57%	0.57	26%	0.264	S	S	*	.	H	α-helix	trans	-61.9	-45.3	-176.3	0	0	0	0	0	112.3	K150	A146-K150 VanDerWaalsContact O-CB 3.28Å; A146-K150 WeakPolarHBondContact O-CB 3.46Å; A146-K150 PolarHBondContact O-N 2.95Å
147	E	94.6	Very high	94.3	Very high	84 Å²	84	53.6 Å²	53.6	39%	0.393	28%	0.276	S	S	.	.	H	α-helix	trans	-72.7	-34.2	-179.9	-65.8	-54.7	135.4	0	0	111.8	V143 D145 K150 A151 L230	V143-E147 HydrophobicContact CG1-CB 3.73Å; D145-E147 PolarHBondContact O-N 3.31Å; E147-K150 PolarHBondContact O-N 2.69Å; E147-K150 IonicContact OE1-NZ 2.75Å; E147-K150 IonicContact OE2-NZ 3.9Å; E147-K150 PolarHBondContact OE2-NZ 3.37Å; E147-A151 VanDerWaalsContact O-CB 3.31Å; E147-A151 WeakPolarHBondContact O-CB 3.08Å; E147-A151 PolarHBondContact O-N 3.07Å; E147-L230 HydrophobicContact CB-CD1 3.74Å
148	T	95.6	Very high	94.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.2	-53.4	171	-63.9	0	0	0	0	110.9	V139 T140 G144 D145 K150 A151 I152 F188 L240	V139-T148 HydrophobicContact CB-CG2 3.84Å; V139-T148 HydrophobicContact CG1-CG2 3.76Å; T140-T148 HydrophobicContact CG2-CG2 4.36Å; T140-T148 WeakPolarHBondContact CG2-OG1 3.34Å; G144-T148 WeakPolarHBondContact O-CB 3.04Å; G144-T148 PolarHBondContact O-N 2.71Å; G144-T148 PolarHBondContact O-OG1 2.94Å; D145-T148 PolarHBondContact O-N 2.81Å; T148-K150 VanDerWaalsContact C-N 3.31Å; T148-K150 PolarHBondContact O-N 2.67Å; T148-A151 PolarHBondContact O-N 2.99Å; T148-I152 WeakPolarHBondContact O-CG1 3.32Å; T148-I152 PolarHBondContact O-N 2.77Å; T148-F188 HydrophobicContact CG2-CE2 3.88Å; T148-F188 HydrophobicContact CG2-CZ 3.73Å; T148-L240 HydrophobicContact CG2-CD2 3.98Å
149	R	95.6	Very high	94.9	Very high	79 Å²	79	47 Å²	47	30%	0.298	25%	0.246	S	C	.	.	H	α-helix	trans	-60.1	-41.8	179.2	-69.4	-177.9	-178	-85.4	-7.8	111.9	I136 V139 D145 I152 R153 E169	I136-R149 HydrophobicContact CD1-CB 4.32Å; I136-R149 HydrophobicContact CD1-CG 3.89Å; V139-R149 HydrophobicContact CG1-CG 4.38Å; D145-R149 WeakPolarHBondContact O-CG 3.25Å; D145-R149 PolarHBondContact O-N 3.08Å; D145-R149 IonicContact OD1-CZ 3.83Å; D145-R149 IonicContact OD1-NE 3.74Å; D145-R149 PolarHBondContact OD1-NE 3Å; D145-R149 IonicContact OD1-NH2 3.48Å; D145-R149 IonicContact OD2-NE 3.25Å; R149-I152 PolarHBondContact O-N 3.48Å; R149-R153 WeakPolarHBondContact O-CB 3.19Å; R149-R153 PolarHBondContact O-N 3.04Å; R149-E169 IonicContact NH1-OE1 3.39Å; R149-E169 PolarHBondContact NH1-OE1 2.96Å
150	K	96	Very high	95.1	Very high	132 Å²	132	47.5 Å²	47.5	57%	0.574	25%	0.246	S	C	*	.	H	α-helix	trans	-62.6	-43.1	176.5	-176.3	-177.5	171.1	-164.4	0	112.1	A146 E147 T148 R153 R154	A146-K150 VanDerWaalsContact O-CB 3.28Å; A146-K150 WeakPolarHBondContact O-CB 3.46Å; A146-K150 PolarHBondContact O-N 2.95Å; E147-K150 PolarHBondContact O-N 2.69Å; E147-K150 IonicContact OE1-NZ 2.75Å; E147-K150 IonicContact OE2-NZ 3.9Å; E147-K150 PolarHBondContact OE2-NZ 3.37Å; T148-K150 VanDerWaalsContact C-N 3.31Å; T148-K150 PolarHBondContact O-N 2.67Å; K150-R153 PolarHBondContact O-N 3.39Å; K150-R154 VanDerWaalsContact O-CB 3.25Å; K150-R154 WeakPolarHBondContact O-CB 3.43Å; K150-R154 PolarHBondContact O-N 2.9Å
151	A	96.4	Very high	95.4	Very high	6 Å²	6	53 Å²	53	5%	0.05	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-46.3	176.8	0	0	0	0	0	111.9	E147 T148 R154 A155 L230 L240 F241	E147-A151 VanDerWaalsContact O-CB 3.31Å; E147-A151 WeakPolarHBondContact O-CB 3.08Å; E147-A151 PolarHBondContact O-N 3.07Å; T148-A151 PolarHBondContact O-N 2.99Å; A151-R154 WeakPolarHBondContact O-CB 3.39Å; A151-R154 PolarHBondContact O-N 3.35Å; A151-A155 PolarHBondContact O-N 2.95Å; A151-L230 HydrophobicContact CB-CD1 4.37Å; A151-L230 HydrophobicContact CB-CD2 3.65Å; A151-L240 HydrophobicContact CB-CD2 4.45Å; A151-F241 HydrophobicContact CB-CB 4.25Å
152	I	97.8	Very high	95.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-47.3	175.4	-66.6	-55.6	0	0	0	111.3	Y134 I136 T148 R149 R154 A155 F156 I186 F222 A244	Y134-I152 HydrophobicContact CE2-CG2 4.17Å; I136-I152 HydrophobicContact CD1-CB 4.2Å; I136-I152 HydrophobicContact CD1-CG2 3.96Å; I136-I152 HydrophobicContact CG1-CG2 4.39Å; T148-I152 WeakPolarHBondContact O-CG1 3.32Å; T148-I152 PolarHBondContact O-N 2.77Å; R149-I152 PolarHBondContact O-N 3.48Å; I152-R154 VanDerWaalsContact C-N 3.29Å; I152-R154 PolarHBondContact O-N 3.36Å; I152-A155 WeakPolarHBondContact O-CB 3.41Å; I152-A155 PolarHBondContact O-N 3.45Å; I152-A155 VanDerWaalsContact O-N 3.08Å; I152-F156 HydrophobicContact CG2-CD2 4.03Å; I152-F156 HydrophobicContact CG2-CE2 3.82Å; I152-F156 WeakPolarHBondContact O-CD2 3.47Å; I152-F156 PolarHBondContact O-N 2.88Å; I152-I186 HydrophobicContact CD1-CD1 4.43Å; I152-I186 HydrophobicContact CG2-CD1 3.3Å; I152-F222 HydrophobicContact CD1-CE2 4.05Å; I152-F222 HydrophobicContact CD1-CZ 3.94Å; I152-A244 HydrophobicContact CD1-CB 3.63Å
153	R	97.4	Very high	95.9	Very high	72 Å²	72	43.9 Å²	43.9	27%	0.272	23%	0.226	S	C	.	.	H	α-helix	trans	-60.3	-42.1	178.5	-177.8	66.3	-164.6	86.4	7.1	111.4	Y134 R149 K150 A155 F156 D157	Y134-R153 WeakPolarHBondContact OH-CD 3.39Å; R149-R153 WeakPolarHBondContact O-CB 3.19Å; R149-R153 PolarHBondContact O-N 3.04Å; K150-R153 PolarHBondContact O-N 3.39Å; R153-A155 VanDerWaalsContact C-N 3.32Å; R153-A155 PolarHBondContact O-N 3.48Å; R153-F156 WeakPolarHBondContact O-CB 3.44Å; R153-F156 PolarHBondContact O-N 3.44Å; R153-D157 IonicContact CZ-OD1 3.17Å; R153-D157 IonicContact CZ-OD2 2.73Å; R153-D157 IonicContact NH1-OD1 3.95Å; R153-D157 PolarHBondContact NH1-OD1 2.84Å; R153-D157 IonicContact NH1-OD2 3.73Å; R153-D157 IonicContact NH2-OD1 3.42Å; R153-D157 PolarHBondContact NH2-OD1 3.16Å; R153-D157 IonicContact NH2-OD2 3.56Å; R153-D157 PolarHBondContact O-N 3.36Å
154	R	96.9	Very high	96.1	Very high	85 Å²	85	43.3 Å²	43.3	32%	0.321	22%	0.223	S	C	.	.	H	α-helix	trans	-61.8	-38.8	175.2	-169.6	-169.4	-176.8	-163.7	9.5	111.7	K150 A151 I152 D157 V158 F241 T273 D274	K150-R154 VanDerWaalsContact O-CB 3.25Å; K150-R154 WeakPolarHBondContact O-CB 3.43Å; K150-R154 PolarHBondContact O-N 2.9Å; A151-R154 WeakPolarHBondContact O-CB 3.39Å; A151-R154 PolarHBondContact O-N 3.35Å; I152-R154 VanDerWaalsContact C-N 3.29Å; I152-R154 PolarHBondContact O-N 3.36Å; R154-D157 WeakPolarHBondContact O-CB 3.29Å; R154-D157 PolarHBondContact O-N 2.86Å; R154-V158 WeakPolarHBondContact O-CG2 3.15Å; R154-V158 PolarHBondContact O-N 3.44Å; R154-V158 VanDerWaalsContact O-N 3.15Å; R154-F241 HydrophobicContact CB-CD2 4.04Å; R154-F241 HydrophobicContact CB-CE2 4Å; R154-F241 HydrophobicContact CG-CD2 3.95Å; R154-F241 HydrophobicContact CG-CE2 3.54Å; R154-F241 HydrophobicContact CG-CZ 4.27Å; R154-T273 VanDerWaalsContact CZ-O 3.3Å; R154-T273 PolarHBondContact NH1-O 3.11Å; R154-T273 PolarHBondContact NH2-O 3.14Å; R154-D274 PolarHBondContact NH2-O 2.86Å; R154-D274 VanDerWaalsContact NH2-O 3.16Å
155	A	97.9	Very high	96.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-39.9	175.6	0	0	0	0	0	112.1	A151 I152 R153 D157 V158 F241 A244 V245 L248	A151-A155 PolarHBondContact O-N 2.95Å; I152-A155 WeakPolarHBondContact O-CB 3.41Å; I152-A155 PolarHBondContact O-N 3.45Å; I152-A155 VanDerWaalsContact O-N 3.08Å; R153-A155 VanDerWaalsContact C-N 3.32Å; R153-A155 PolarHBondContact O-N 3.48Å; A155-D157 VanDerWaalsContact C-N 3.35Å; A155-D157 PolarHBondContact O-N 2.95Å; A155-V158 WeakPolarHBondContact O-CB 3.4Å; A155-V158 PolarHBondContact O-N 3.4Å; A155-F241 HydrophobicContact CB-CD2 4.21Å; A155-F241 HydrophobicContact CB-CE2 4.39Å; A155-A244 HydrophobicContact CB-CB 3.75Å; A155-V245 HydrophobicContact CB-CG2 3.72Å; A155-L248 HydrophobicContact CB-CD1 3.8Å
156	F	98.1	Very high	96.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-39.1	170	-79.3	-68	0	0	0	112.8	Y134 I152 R153 V158 W159 Q160 F167 I184 I186 L248	Y134-F156 AromaticContact CD1-CD2 3.87Å; Y134-F156 HydrophobicContact CD1-CD2 3.87Å; Y134-F156 HydrophobicContact CD1-CE1 4.29Å; Y134-F156 AromaticContact CD1-CE2 3.49Å; Y134-F156 HydrophobicContact CD1-CE2 3.49Å; Y134-F156 VanDerWaalsContact CD1-CE2 3.49Å; Y134-F156 HydrophobicContact CD1-CG 4.41Å; Y134-F156 AromaticContact CD1-CZ 3.72Å; Y134-F156 HydrophobicContact CD1-CZ 3.72Å; Y134-F156 HydrophobicContact CD2-CD2 4.3Å; Y134-F156 AromaticContact CD2-CE2 3.48Å; Y134-F156 HydrophobicContact CD2-CE2 3.48Å; Y134-F156 VanDerWaalsContact CD2-CE2 3.48Å; Y134-F156 HydrophobicContact CD2-CZ 4.04Å; Y134-F156 AromaticContact CE1-CD2 3.6Å; Y134-F156 HydrophobicContact CE1-CD2 3.6Å; Y134-F156 AromaticContact CE1-CE2 3.66Å; Y134-F156 HydrophobicContact CE1-CE2 3.66Å; Y134-F156 HydrophobicContact CE1-CG 4.22Å; Y134-F156 HydrophobicContact CE1-CZ 4.32Å; Y134-F156 HydrophobicContact CE2-CD2 4.09Å; Y134-F156 AromaticContact CE2-CE2 3.68Å; Y134-F156 HydrophobicContact CE2-CE2 3.68Å; Y134-F156 HydrophobicContact CG-CD2 4.2Å; Y134-F156 HydrophobicContact CG-CE1 4.47Å; Y134-F156 AromaticContact CG-CE2 3.39Å; Y134-F156 HydrophobicContact CG-CE2 3.39Å; Y134-F156 AromaticContact CG-CZ 3.54Å; Y134-F156 HydrophobicContact CG-CZ 3.54Å; Y134-F156 AromaticContact CZ-CD2 3.73Å; Y134-F156 AromaticContact CZ-CE2 3.76Å; I152-F156 HydrophobicContact CG2-CD2 4.03Å; I152-F156 HydrophobicContact CG2-CE2 3.82Å; I152-F156 WeakPolarHBondContact O-CD2 3.47Å; I152-F156 PolarHBondContact O-N 2.88Å; R153-F156 WeakPolarHBondContact O-CB 3.44Å; R153-F156 PolarHBondContact O-N 3.44Å; F156-V158 VanDerWaalsContact C-N 3.28Å; F156-V158 PolarHBondContact O-N 2.92Å; F156-W159 PolarHBondContact O-N 3.2Å; F156-Q160 WeakPolarHBondContact O-CB 3.37Å; F156-Q160 PolarHBondContact O-N 2.89Å; F156-F167 HydrophobicContact CB-CB 4.16Å; F156-F167 HydrophobicContact CB-CD2 4Å; F156-F167 HydrophobicContact CB-CG 4.05Å; F156-F167 HydrophobicContact CD1-CB 4Å; F156-F167 AromaticContact CD1-CD1 3.26Å; F156-F167 HydrophobicContact CD1-CD1 3.26Å; F156-F167 AromaticContact CD1-CD2 3.88Å; F156-F167 HydrophobicContact CD1-CD2 3.88Å; F156-F167 AromaticContact CD1-CE1 3.58Å; F156-F167 HydrophobicContact CD1-CE1 3.58Å; F156-F167 HydrophobicContact CD1-CE2 4.16Å; F156-F167 AromaticContact CD1-CG 3.42Å; F156-F167 HydrophobicContact CD1-CG 3.42Å; F156-F167 VanDerWaalsContact CD1-CG 3.42Å; F156-F167 HydrophobicContact CD1-CZ 4.03Å; F156-F167 AromaticContact CE1-CD1 3.52Å; F156-F167 HydrophobicContact CE1-CD1 3.52Å; F156-F167 AromaticContact CE1-CE1 3.79Å; F156-F167 HydrophobicContact CE1-CE1 3.79Å; F156-F167 HydrophobicContact CE1-CG 4.12Å; F156-F167 HydrophobicContact CG-CB 4.15Å; F156-F167 HydrophobicContact CG-CD1 4.23Å; F156-F167 HydrophobicContact CG-CD2 4.36Å; F156-F167 AromaticContact CG-CG 3.99Å; F156-F167 HydrophobicContact CG-CG 3.99Å; F156-I184 HydrophobicContact CE1-CD1 4.03Å; F156-I184 HydrophobicContact CZ-CD1 4.35Å; F156-I184 HydrophobicContact CZ-CG2 4.32Å; F156-I186 HydrophobicContact CE2-CD1 3.84Å; F156-I186 HydrophobicContact CZ-CD1 4.21Å; F156-L248 HydrophobicContact CD1-CD1 3.83Å; F156-L248 HydrophobicContact CD1-CD2 4.42Å; F156-L248 HydrophobicContact CD2-CD1 3.94Å; F156-L248 HydrophobicContact CE1-CD1 3.86Å; F156-L248 HydrophobicContact CE1-CD2 3.62Å; F156-L248 HydrophobicContact CE1-CG 4.33Å; F156-L248 HydrophobicContact CE2-CD1 3.95Å; F156-L248 HydrophobicContact CE2-CD2 4.19Å; F156-L248 HydrophobicContact CG-CD1 3.89Å; F156-L248 HydrophobicContact CZ-CD1 3.92Å; F156-L248 HydrophobicContact CZ-CD2 3.48Å; F156-L248 VanDerWaalsContact CZ-CD2 3.48Å; F156-L248 HydrophobicContact CZ-CG 4.37Å
157	D	96.6	Very high	96.7	Very high	47 Å²	47	38.8 Å²	38.8	25%	0.251	18%	0.184	S	C	.	.	H	α-helix	trans	-61.9	-35.3	178.1	-74.9	-32.9	0	0	0	113	R153 R154 A155 W159 Q160 N161	R153-D157 IonicContact CZ-OD1 3.17Å; R153-D157 IonicContact CZ-OD2 2.73Å; R153-D157 IonicContact NH1-OD1 3.95Å; R153-D157 PolarHBondContact NH1-OD1 2.84Å; R153-D157 IonicContact NH1-OD2 3.73Å; R153-D157 IonicContact NH2-OD1 3.42Å; R153-D157 PolarHBondContact NH2-OD1 3.16Å; R153-D157 IonicContact NH2-OD2 3.56Å; R153-D157 PolarHBondContact O-N 3.36Å; R154-D157 WeakPolarHBondContact O-CB 3.29Å; R154-D157 PolarHBondContact O-N 2.86Å; A155-D157 VanDerWaalsContact C-N 3.35Å; A155-D157 PolarHBondContact O-N 2.95Å; D157-W159 VanDerWaalsContact C-N 3.31Å; D157-W159 PolarHBondContact O-N 2.8Å; D157-Q160 PolarHBondContact O-N 3.49Å; D157-N161 VanDerWaalsContact O-CB 3.3Å; D157-N161 WeakPolarHBondContact O-CB 3.26Å; D157-N161 PolarHBondContact O-N 2.96Å; D157-N161 PolarHBondContact O-ND2 3.21Å; D157-N161 VanDerWaalsContact O-ND2 3.08Å
158	V	97.3	Very high	96.8	Very high	19 Å²	19	38.1 Å²	38.1	12%	0.115	18%	0.181	C	C	.	.	H	α-helix	trans	-55.2	-48.1	175.2	170.2	0	0	0	0	110.9	R154 A155 F156 F241 V245 F276 L278	R154-V158 WeakPolarHBondContact O-CG2 3.15Å; R154-V158 PolarHBondContact O-N 3.44Å; R154-V158 VanDerWaalsContact O-N 3.15Å; A155-V158 WeakPolarHBondContact O-CB 3.4Å; A155-V158 PolarHBondContact O-N 3.4Å; F156-V158 VanDerWaalsContact C-N 3.28Å; F156-V158 PolarHBondContact O-N 2.92Å; V158-F241 HydrophobicContact CG2-CE2 3.92Å; V158-F241 HydrophobicContact CG2-CZ 3.81Å; V158-V245 HydrophobicContact CB-CG2 4.33Å; V158-V245 HydrophobicContact CG1-CG1 4.01Å; V158-V245 HydrophobicContact CG1-CG2 4.46Å; V158-V245 HydrophobicContact CG2-CG2 4.09Å; V158-F276 HydrophobicContact CG1-CD1 4.15Å; V158-F276 HydrophobicContact CG1-CE1 3.79Å; V158-F276 HydrophobicContact CG2-CD1 3.91Å; V158-F276 HydrophobicContact CG2-CE1 4.28Å; V158-L278 HydrophobicContact CG1-CD1 3.72Å; V158-L278 HydrophobicContact CG1-CD2 3.72Å; V158-L278 HydrophobicContact CG1-CG 3.45Å; V158-L278 VanDerWaalsContact CG1-CG 3.45Å
159	W	97.6	Very high	96.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-75.9	-38.3	178.9	-63.3	115	0	0	0	112.8	F156 D157 N161 V162 T163 F167 V245 L252 L254 I263 M264 L278 D282 I286	F156-W159 PolarHBondContact O-N 3.2Å; D157-W159 VanDerWaalsContact C-N 3.31Å; D157-W159 PolarHBondContact O-N 2.8Å; W159-N161 VanDerWaalsContact C-N 3.32Å; W159-N161 PolarHBondContact O-N 3.03Å; W159-V162 WeakPolarHBondContact O-CG2 3.4Å; W159-V162 PolarHBondContact O-N 3.5Å; W159-T163 WeakPolarHBondContact O-CG2 3.37Å; W159-T163 PolarHBondContact O-N 3.09Å; W159-T163 PolarHBondContact O-OG1 3.36Å; W159-F167 HydrophobicContact CB-CE2 4.38Å; W159-V245 HydrophobicContact CZ2-CG1 4.1Å; W159-V245 VanDerWaalsContact CZ2-O 3.3Å; W159-V245 WeakPolarHBondContact CZ2-O 3.47Å; W159-V245 PolarHBondContact NE1-O 3.43Å; W159-L252 HydrophobicContact CB-CD1 3.6Å; W159-L252 HydrophobicContact CD2-CD1 3.95Å; W159-L252 HydrophobicContact CG-CD1 3.53Å; W159-L254 HydrophobicContact CH2-CD1 3.38Å; W159-L254 HydrophobicContact CZ2-CD1 4.22Å; W159-L254 HydrophobicContact CZ3-CD1 3.69Å; W159-I263 HydrophobicContact CH2-CG2 4.46Å; W159-I263 HydrophobicContact CZ2-CG2 4.48Å; W159-M264 HydrophobicContact CH2-SD 4.48Å; W159-M264 HydrophobicContact CZ2-SD 4.33Å; W159-L278 HydrophobicContact CD2-CD1 4.43Å; W159-L278 HydrophobicContact CE3-CD1 3.73Å; W159-L278 HydrophobicContact CE3-CD2 4.36Å; W159-L278 HydrophobicContact CH2-CD1 4.47Å; W159-L278 HydrophobicContact CH2-CD2 3.73Å; W159-L278 HydrophobicContact CZ2-CD2 4.12Å; W159-L278 HydrophobicContact CZ3-CD1 3.75Å; W159-L278 HydrophobicContact CZ3-CD2 3.85Å; W159-L278 HydrophobicContact CZ3-CG 4.47Å; W159-D282 HydrophobicContact CH2-CB 4.28Å; W159-I286 HydrophobicContact CE3-CB 4.01Å; W159-I286 HydrophobicContact CE3-CD1 4.22Å; W159-I286 HydrophobicContact CE3-CG1 3.79Å; W159-I286 HydrophobicContact CE3-CG2 4.02Å; W159-I286 HydrophobicContact CZ3-CB 3.75Å; W159-I286 HydrophobicContact CZ3-CD1 4.35Å; W159-I286 HydrophobicContact CZ3-CG1 4.01Å; W159-I286 HydrophobicContact CZ3-CG2 3.88Å
160	Q	96.6	Very high	96.7	Very high	46 Å²	46	37.6 Å²	37.6	22%	0.215	18%	0.182	C	C	.	.	H	α-helix	trans	-59.8	-41	177.8	-168.5	170.2	-93.3	0	0	112	F156 D157 V162 L165 F167	F156-Q160 WeakPolarHBondContact O-CB 3.37Å; F156-Q160 PolarHBondContact O-N 2.89Å; D157-Q160 PolarHBondContact O-N 3.49Å; Q160-V162 PolarHBondContact O-N 3.48Å; Q160-L165 WeakPolarHBondContact CG-O 3.5Å; Q160-F167 HydrophobicContact CB-CD2 3.88Å; Q160-F167 HydrophobicContact CB-CE2 3.95Å; Q160-F167 HydrophobicContact CG-CD2 4.26Å
161	N	95.6	Very high	96.4	Very high	116 Å²	116	34.5 Å²	34.5	62%	0.62	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.6	-175.9	-74.7	-25.7	0	0	0	114	D157 W159 P293	D157-N161 VanDerWaalsContact O-CB 3.3Å; D157-N161 WeakPolarHBondContact O-CB 3.26Å; D157-N161 PolarHBondContact O-N 2.96Å; D157-N161 PolarHBondContact O-ND2 3.21Å; D157-N161 VanDerWaalsContact O-ND2 3.08Å; W159-N161 VanDerWaalsContact C-N 3.32Å; W159-N161 PolarHBondContact O-N 3.03Å; N161-P293 WeakPolarHBondContact O-CG 3.32Å
162	V	95.8	Very high	96	Very high	29 Å²	29	37 Å²	37	18%	0.176	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	2.2	-174.9	-56.2	0	0	0	0	113.9	W159 Q160 L278 L283 I286 Q287 P293	W159-V162 WeakPolarHBondContact O-CG2 3.4Å; W159-V162 PolarHBondContact O-N 3.5Å; Q160-V162 PolarHBondContact O-N 3.48Å; V162-L278 HydrophobicContact CB-CD1 4.5Å; V162-L278 HydrophobicContact CG1-CD1 4.26Å; V162-L278 HydrophobicContact CG2-CD1 3.52Å; V162-L283 HydrophobicContact CB-CD1 3.56Å; V162-L283 HydrophobicContact CG1-CD1 3.7Å; V162-L283 HydrophobicContact CG2-CD1 4.06Å; V162-I286 HydrophobicContact CG2-CG2 3.9Å; V162-Q287 WeakPolarHBondContact O-CG 3.44Å; V162-Q287 PolarHBondContact O-NE2 2.98Å; V162-P293 WeakPolarHBondContact O-CD 3.36Å
163	T	96.6	Very high	95.4	Very high	3 Å²	3	42 Å²	42	2%	0.018	21%	0.21	C	C	.	.	S	Bend	trans	-130.6	169.7	178.7	63.1	0	0	0	0	110.7	W159 L165 I286	W159-T163 WeakPolarHBondContact O-CG2 3.37Å; W159-T163 PolarHBondContact O-N 3.09Å; W159-T163 PolarHBondContact O-OG1 3.36Å; T163-L165 PolarHBondContact O-N 2.95Å; T163-L165 WeakPolarHBondContact OG1-CB 3.36Å; T163-L165 PolarHBondContact OG1-N 3.41Å; T163-I286 HydrophobicContact CG2-CB 4.35Å; T163-I286 HydrophobicContact CG2-CG1 3.5Å; T163-I286 HydrophobicContact CG2-CG2 3.98Å
164	P	96.1	Very high	94.7	Very high	16 Å²	16	42 Å²	42	10%	0.104	21%	0.213	C	C	.	.	S	Bend	trans	-83.1	9	168.5	35.3	-38.4	0	0	0	113.2	K130 Y290 G291 D294	K130-P164 HydrophobicContact CD-CB 4.08Å; K130-P164 HydrophobicContact CD-CG 4.37Å; P164-Y290 WeakPolarHBondContact CD-O 3.24Å; P164-Y290 WeakPolarHBondContact CG-O 3.35Å; P164-G291 VanDerWaalsContact CD-O 3.24Å; P164-G291 WeakPolarHBondContact CD-O 3.42Å; P164-D294 WeakPolarHBondContact CB-OD2 3.27Å
165	L	96.7	Very high	93.9	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	21%	0.205	C	C	.	.			trans	-73.4	156.2	179.2	-59.7	177.4	0	0	0	110.5	K130 I132 Q160 T163 F167 L252 Y290	K130-L165 HydrophobicContact CB-CD2 4.35Å; K130-L165 CarbonylContact O-C 3.57Å; K130-L165 VanDerWaalsContact O-CA 3.27Å; K130-L165 WeakPolarHBondContact O-CA 3.11Å; I132-L165 HydrophobicContact CD1-CD1 3.92Å; I132-L165 HydrophobicContact CD1-CD2 4.05Å; I132-L165 HydrophobicContact CD1-CG 4.41Å; Q160-L165 WeakPolarHBondContact CG-O 3.5Å; T163-L165 PolarHBondContact O-N 2.95Å; T163-L165 WeakPolarHBondContact OG1-CB 3.36Å; T163-L165 PolarHBondContact OG1-N 3.41Å; L165-F167 HydrophobicContact CB-CE2 4.12Å; L165-F167 HydrophobicContact CB-CZ 4.03Å; L165-F167 HydrophobicContact CD1-CZ 4.09Å; L165-L252 HydrophobicContact CD1-CD1 4.47Å; L165-L252 HydrophobicContact CD1-CD2 3.71Å; L165-Y290 HydrophobicContact CD1-CD1 4.07Å; L165-Y290 HydrophobicContact CD1-CD2 3.8Å; L165-Y290 HydrophobicContact CD1-CE1 4.16Å; L165-Y290 HydrophobicContact CD1-CE2 3.9Å; L165-Y290 HydrophobicContact CD1-CG 3.9Å; L165-Y290 HydrophobicContact CD2-CD1 3.68Å; L165-Y290 HydrophobicContact CD2-CE1 3.99Å; L165-Y290 HydrophobicContact CD2-CG 4.15Å; L165-Y290 HydrophobicContact CG-CD1 4.14Å; L165-Y290 HydrophobicContact CG-CD2 4.48Å; L165-Y290 HydrophobicContact CG-CG 4.09Å
166	T	97.1	Very high	92.7	Very high	62 Å²	62	45.9 Å²	45.9	38%	0.38	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.1	171.2	60.9	0	0	0	0	109.3	K130 H131 I132	K130-T166 PolarHBondContact O-N 3.28Å; H131-T166 WeakPolarHBondContact CA-OG1 3.49Å; H131-T166 PolarHBondContact ND1-OG1 2.98Å; H131-T166 VanDerWaalsContact ND1-OG1 3.09Å; I132-T166 PolarHBondContact N-O 3.42Å
167	F	97.7	Very high	91.4	Very high	15 Å²	15	50.8 Å²	50.8	7%	0.066	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.3	-177.9	-57.4	-82.5	0	0	0	112.2	I132 Y134 F156 W159 Q160 L165 L252	I132-F167 HydrophobicContact CB-CD1 3.75Å; I132-F167 HydrophobicContact CB-CE1 3.84Å; I132-F167 HydrophobicContact CD1-CE1 3.73Å; I132-F167 HydrophobicContact CD1-CZ 4.31Å; I132-F167 HydrophobicContact CG1-CE1 4.33Å; I132-F167 HydrophobicContact CG2-CD1 3.93Å; I132-F167 HydrophobicContact CG2-CE1 3.98Å; I132-F167 VanDerWaalsContact O-CA 3.26Å; I132-F167 WeakPolarHBondContact O-CA 3.34Å; Y134-F167 HydrophobicContact CD1-CB 4.25Å; Y134-F167 HydrophobicContact CE1-CB 4.25Å; F156-F167 HydrophobicContact CB-CB 4.16Å; F156-F167 HydrophobicContact CB-CD2 4Å; F156-F167 HydrophobicContact CB-CG 4.05Å; F156-F167 HydrophobicContact CD1-CB 4Å; F156-F167 AromaticContact CD1-CD1 3.26Å; F156-F167 HydrophobicContact CD1-CD1 3.26Å; F156-F167 AromaticContact CD1-CD2 3.88Å; F156-F167 HydrophobicContact CD1-CD2 3.88Å; F156-F167 AromaticContact CD1-CE1 3.58Å; F156-F167 HydrophobicContact CD1-CE1 3.58Å; F156-F167 HydrophobicContact CD1-CE2 4.16Å; F156-F167 AromaticContact CD1-CG 3.42Å; F156-F167 HydrophobicContact CD1-CG 3.42Å; F156-F167 VanDerWaalsContact CD1-CG 3.42Å; F156-F167 HydrophobicContact CD1-CZ 4.03Å; F156-F167 AromaticContact CE1-CD1 3.52Å; F156-F167 HydrophobicContact CE1-CD1 3.52Å; F156-F167 AromaticContact CE1-CE1 3.79Å; F156-F167 HydrophobicContact CE1-CE1 3.79Å; F156-F167 HydrophobicContact CE1-CG 4.12Å; F156-F167 HydrophobicContact CG-CB 4.15Å; F156-F167 HydrophobicContact CG-CD1 4.23Å; F156-F167 HydrophobicContact CG-CD2 4.36Å; F156-F167 AromaticContact CG-CG 3.99Å; F156-F167 HydrophobicContact CG-CG 3.99Å; W159-F167 HydrophobicContact CB-CE2 4.38Å; Q160-F167 HydrophobicContact CB-CD2 3.88Å; Q160-F167 HydrophobicContact CB-CE2 3.95Å; Q160-F167 HydrophobicContact CG-CD2 4.26Å; L165-F167 HydrophobicContact CB-CE2 4.12Å; L165-F167 HydrophobicContact CB-CZ 4.03Å; L165-F167 HydrophobicContact CD1-CZ 4.09Å; F167-L252 HydrophobicContact CE1-CD2 3.98Å; F167-L252 HydrophobicContact CZ-CD1 4.12Å; F167-L252 HydrophobicContact CZ-CD2 3.92Å
168	E	96.4	Very high	90	Very high	70 Å²	70	51.8 Å²	51.8	33%	0.327	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.9	176.2	179	-179.6	134.3	0	0	110.2	H131 I132 T133 Y134 R180	H131-E168 IonicContact CE1-OE2 3.57Å; H131-E168 PolarHBondContact CE1-OE2 2.95Å; H131-E168 VanDerWaalsContact CE1-OE2 3.23Å; H131-E168 IonicContact NE2-OE2 3.69Å; H131-E168 PolarHBondContact NE2-OE2 3.46Å; I132-E168 PolarHBondContact O-N 3.18Å; T133-E168 CarbonylContact C-O 3.59Å; T133-E168 WeakPolarHBondContact CA-O 3.39Å; T133-E168 HydrophobicContact CG2-CB 4.41Å; Y134-E168 WeakPolarHBondContact CD1-O 3.49Å; Y134-E168 PolarHBondContact N-O 3.25Å; E168-R180 IonicContact OE1-CZ 2.85Å; E168-R180 IonicContact OE1-NH1 2.69Å; E168-R180 PolarHBondContact OE1-NH1 3.11Å; E168-R180 VanDerWaalsContact OE1-NH1 3.11Å; E168-R180 IonicContact OE1-NH2 2.89Å; E168-R180 PolarHBondContact OE1-NH2 2.76Å
169	E	95.3	Very high	88.4	Confident	68 Å²	68	58.9 Å²	58.9	32%	0.318	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124	170.9	-167.4	169.1	155.1	0	0	110	Y134 R149	Y134-E169 HydrophobicContact CD2-CG 4.27Å; Y134-E169 HydrophobicContact CE1-CB 3.89Å; Y134-E169 HydrophobicContact CE2-CB 3.87Å; Y134-E169 HydrophobicContact CE2-CG 3.6Å; Y134-E169 VanDerWaalsContact CZ-CB 3.49Å; Y134-E169 CarbonylContact O-C 3.58Å; Y134-E169 WeakPolarHBondContact O-CA 3.45Å; Y134-E169 WeakPolarHBondContact OH-CB 3.42Å; Y134-E169 PolarHBondContact OH-OE2 2.82Å; R149-E169 IonicContact NH1-OE1 3.39Å; R149-E169 PolarHBondContact NH1-OE1 2.96Å
170	V	93.9	Very high	87.4	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.006	33%	0.33	C	S	.	.			trans	-106.5	131.2	172.6	-179.1	0	0	0	0	108.5	T133 Y134 S135 Y172 E174 L175 V182	T133-V170 HydrophobicContact CG2-CG2 4.26Å; Y134-V170 PolarHBondContact O-N 3.06Å; S135-V170 VanDerWaalsContact CB-O 3.31Å; S135-V170 WeakPolarHBondContact CB-O 3.29Å; S135-V170 PolarHBondContact OG-O 3.12Å; V170-Y172 PolarHBondContact O-N 2.74Å; V170-E174 HydrophobicContact CG1-CB 4.18Å; V170-L175 HydrophobicContact CG1-CD1 3.94Å; V170-V182 HydrophobicContact CB-CG1 3.92Å; V170-V182 HydrophobicContact CG1-CG1 4.3Å; V170-V182 HydrophobicContact CG2-CG1 4.15Å
171	P	91.4	Very high	86.5	Confident	66 Å²	66	67.9 Å²	67.9	43%	0.429	36%	0.355	S	S	.	.			trans	-60.4	130.8	176.1	-24	34.2	0	0	0	112.2	I173 E174	P171-I173 HydrophobicContact CB-CG2 4.16Å; P171-I173 PolarHBondContact O-N 3.14Å; P171-E174 WeakPolarHBondContact O-CB 3.4Å; P171-E174 PolarHBondContact O-N 2.87Å
172	Y	86.8	Confident	86.1	Confident	58 Å²	58	62.8 Å²	62.8	23%	0.227	33%	0.328	C	S	.	.	H	α-helix	trans	-56.6	-28.2	-176.5	-174.9	-104.3	0	0	0	114.4	S135 K137 V170 E174 L175 E176 T185	S135-Y172 WeakPolarHBondContact OG-CA 3.41Å; S135-Y172 VanDerWaalsContact OG-CB 3.31Å; S135-Y172 WeakPolarHBondContact OG-CB 3.32Å; S135-Y172 PolarHBondContact OG-N 2.84Å; K137-Y172 HydrophobicContact CB-CD2 3.85Å; K137-Y172 HydrophobicContact CB-CE2 3.72Å; K137-Y172 HydrophobicContact CB-CG 4.32Å; K137-Y172 HydrophobicContact CD-CE1 4.48Å; K137-Y172 HydrophobicContact CD-CE2 4.01Å; K137-Y172 WeakPolarHBondContact CE-OH 3.41Å; K137-Y172 HydrophobicContact CG-CD1 4.34Å; K137-Y172 HydrophobicContact CG-CD2 4.22Å; K137-Y172 HydrophobicContact CG-CE1 3.87Å; K137-Y172 HydrophobicContact CG-CE2 3.73Å; V170-Y172 PolarHBondContact O-N 2.74Å; Y172-E174 PolarHBondContact O-N 2.92Å; Y172-L175 HydrophobicContact CD2-CB 4.5Å; Y172-L175 HydrophobicContact CD2-CD2 4.03Å; Y172-L175 HydrophobicContact CE2-CD2 4.32Å; Y172-L175 WeakPolarHBondContact O-CB 3.28Å; Y172-L175 PolarHBondContact O-N 2.83Å; Y172-E176 HydrophobicContact CD1-CG 3.89Å; Y172-E176 HydrophobicContact CE1-CG 3.41Å; Y172-E176 VanDerWaalsContact CE1-CG 3.41Å; Y172-E176 WeakPolarHBondContact CE1-OE1 3.37Å; Y172-E176 PolarHBondContact O-N 3.36Å; Y172-E176 VanDerWaalsContact O-N 3.14Å; Y172-T185 HydrophobicContact CE2-CG2 4.47Å
173	I	85.4	Confident	85.9	Confident	106 Å²	106	62.8 Å²	62.8	54%	0.544	33%	0.327	S	S	.	.	H	α-helix	trans	-61.8	-23.8	176.6	-165.9	152.6	0	0	0	113.3	P171 L175 N177	P171-I173 HydrophobicContact CB-CG2 4.16Å; P171-I173 PolarHBondContact O-N 3.14Å; I173-L175 VanDerWaalsContact C-N 3.3Å; I173-N177 PolarHBondContact O-N 3.23Å; I173-N177 PolarHBondContact O-ND2 3.26Å
174	E	83.1	Confident	85.9	Confident	72 Å²	72	62.7 Å²	62.7	34%	0.336	33%	0.326	S	S	.	.	H	α-helix	trans	-71.7	-29.1	174.5	-64.1	-172.8	-161.8	0	0	112	V170 P171 Y172 K179 R180	V170-E174 HydrophobicContact CG1-CB 4.18Å; P171-E174 WeakPolarHBondContact O-CB 3.4Å; P171-E174 PolarHBondContact O-N 2.87Å; Y172-E174 PolarHBondContact O-N 2.92Å; E174-K179 PolarHBondContact O-N 2.92Å; E174-K179 VanDerWaalsContact O-N 3.08Å; E174-R180 PolarHBondContact O-N 3.45Å
175	L	80.1	Confident	85.7	Confident	31 Å²	31	62.9 Å²	62.9	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-78.1	-42.6	176.6	-68.9	61.3	0	0	0	110.6	V170 Y172 I173 N177 G178 V182	V170-L175 HydrophobicContact CG1-CD1 3.94Å; Y172-L175 HydrophobicContact CD2-CB 4.5Å; Y172-L175 HydrophobicContact CD2-CD2 4.03Å; Y172-L175 HydrophobicContact CE2-CD2 4.32Å; Y172-L175 WeakPolarHBondContact O-CB 3.28Å; Y172-L175 PolarHBondContact O-N 2.83Å; I173-L175 VanDerWaalsContact C-N 3.3Å; L175-N177 PolarHBondContact O-N 3.22Å; L175-G178 WeakPolarHBondContact O-CA 3.31Å; L175-G178 PolarHBondContact O-N 2.88Å; L175-V182 HydrophobicContact CD1-CG1 3.75Å; L175-V182 HydrophobicContact CD2-CB 4.41Å; L175-V182 HydrophobicContact CD2-CG1 4.01Å; L175-V182 HydrophobicContact CD2-CG2 3.59Å; L175-V182 HydrophobicContact CG-CG1 4.1Å; L175-V182 HydrophobicContact CG-CG2 4.49Å
176	E	71.6	Confident	85.7	Confident	135 Å²	135	62.8 Å²	62.8	63%	0.631	33%	0.327	S	S	*	.	H	α-helix	trans	-60.3	-34.9	177.8	-74.9	-166.1	151.1	0	0	112.8	Y172 G178	Y172-E176 HydrophobicContact CD1-CG 3.89Å; Y172-E176 HydrophobicContact CE1-CG 3.41Å; Y172-E176 VanDerWaalsContact CE1-CG 3.41Å; Y172-E176 WeakPolarHBondContact CE1-OE1 3.37Å; Y172-E176 PolarHBondContact O-N 3.36Å; Y172-E176 VanDerWaalsContact O-N 3.14Å; E176-G178 PolarHBondContact O-N 3.31Å
177	N	71.7	Confident	85.5	Confident	103 Å²	103	60.9 Å²	60.9	55%	0.551	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	0.3	177	-69.5	-47.9	0	0	0	113.2	I173 L175 K179	I173-N177 PolarHBondContact O-N 3.23Å; I173-N177 PolarHBondContact O-ND2 3.26Å; L175-N177 PolarHBondContact O-N 3.22Å; N177-K179 HydrophobicContact CB-CD 4.3Å; N177-K179 HydrophobicContact CB-CG 4.07Å; N177-K179 PolarHBondContact O-N 3Å
178	G	67.6	Low	85.3	Confident	69 Å²	69	60.4 Å²	60.4	71%	0.711	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	19.8	-178.6	0	0	0	0	0	114.2	L175 E176	L175-G178 WeakPolarHBondContact O-CA 3.31Å; L175-G178 PolarHBondContact O-N 2.88Å; E176-G178 PolarHBondContact O-N 3.31Å
179	K	64	Low	84.6	Confident	168 Å²	168	57.9 Å²	57.9	73%	0.73	30%	0.303	S	S	*	.	S	Bend	trans	-83.3	-30.4	-175.3	-69.5	-177.2	178.8	177.7	0	112.9	E174 N177	E174-K179 PolarHBondContact O-N 2.92Å; E174-K179 VanDerWaalsContact O-N 3.08Å; N177-K179 HydrophobicContact CB-CD 4.3Å; N177-K179 HydrophobicContact CB-CG 4.07Å; N177-K179 PolarHBondContact O-N 3Å
180	R	75.3	Confident	83.9	Confident	97 Å²	97	57.1 Å²	57.1	37%	0.366	31%	0.306	S	S	.	.			trans	-148.7	140.5	-176	-164.1	167.6	179.8	-167.9	-3.4	109.6	E168 E174	E168-R180 IonicContact OE1-CZ 2.85Å; E168-R180 IonicContact OE1-NH1 2.69Å; E168-R180 PolarHBondContact OE1-NH1 3.11Å; E168-R180 VanDerWaalsContact OE1-NH1 3.11Å; E168-R180 IonicContact OE1-NH2 2.89Å; E168-R180 PolarHBondContact OE1-NH2 2.76Å; E174-R180 PolarHBondContact O-N 3.45Å
181	D	77.3	Confident	82.9	Confident	137 Å²	137	58.2 Å²	58.2	73%	0.733	32%	0.317	S	S	*	.			trans	-100.2	154.3	169.3	-162.2	12.5	0	0	0	108.9
182	V	89.1	Confident	81.4	Confident	9 Å²	9	62 Å²	62	6%	0.055	33%	0.327	C	S	.	.			trans	-126.8	158.5	-180	-58.2	0	0	0	0	111.2	T133 V170 L175	T133-V182 WeakPolarHBondContact OG1-CA 3.2Å; V170-V182 HydrophobicContact CB-CG1 3.92Å; V170-V182 HydrophobicContact CG1-CG1 4.3Å; V170-V182 HydrophobicContact CG2-CG1 4.15Å; L175-V182 HydrophobicContact CD1-CG1 3.75Å; L175-V182 HydrophobicContact CD2-CB 4.41Å; L175-V182 HydrophobicContact CD2-CG1 4.01Å; L175-V182 HydrophobicContact CD2-CG2 3.59Å; L175-V182 HydrophobicContact CG-CG1 4.1Å; L175-V182 HydrophobicContact CG-CG2 4.49Å
183	D	91.6	Very high	80.3	Confident	30 Å²	30	60.6 Å²	60.6	16%	0.16	32%	0.323	C	S	.	.	S	Bend	trans	-78.1	-31.6	-179.2	-57.4	-67.2	0	0	0	113	W127 H129 I132 T133 G217	W127-D183 HydrophobicContact CE3-CB 4.5Å; W127-D183 HydrophobicContact CH2-CB 3.83Å; W127-D183 VanDerWaalsContact CH2-O 3.3Å; W127-D183 WeakPolarHBondContact CH2-O 3.39Å; W127-D183 HydrophobicContact CZ2-CB 4.16Å; W127-D183 HydrophobicContact CZ3-CB 4.01Å; H129-D183 IonicContact CD2-OD2 3.92Å; H129-D183 IonicContact CE1-OD1 3.23Å; H129-D183 PolarHBondContact CE1-OD1 3.47Å; H129-D183 IonicContact NE2-OD1 3.21Å; H129-D183 PolarHBondContact NE2-OD1 3.16Å; H129-D183 IonicContact NE2-OD2 3.4Å; H129-D183 PolarHBondContact NE2-OD2 3.16Å; H129-D183 VanDerWaalsContact NE2-OD2 3.11Å; I132-D183 WeakPolarHBondContact CA-OD2 3.28Å; I132-D183 HydrophobicContact CG2-CB 3.76Å; T133-D183 PolarHBondContact N-OD2 3.49Å; T133-D183 WeakPolarHBondContact O-CB 3.23Å; T133-D183 PolarHBondContact O-N 2.87Å; T133-D183 PolarHBondContact OG1-N 3.44Å; T133-D183 PolarHBondContact OG1-OD2 3.3Å; T133-D183 VanDerWaalsContact OG1-OD2 3.1Å; D183-G217 VanDerWaalsContact O-O 3.09Å
184	I	95.6	Very high	78.7	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	116.7	-176.4	-63.9	171.7	0	0	0	110.3	W127 I132 T133 Y134 S135 F156 I186 G218 L248 A251	W127-I184 HydrophobicContact CZ2-CG1 4.22Å; I132-I184 HydrophobicContact CG2-CD1 3.84Å; I132-I184 HydrophobicContact CG2-CG1 4.28Å; T133-I184 PolarHBondContact O-N 3.06Å; T133-I184 VanDerWaalsContact O-N 3.08Å; Y134-I184 CarbonylContact C-O 3.58Å; Y134-I184 WeakPolarHBondContact CA-O 3.39Å; Y134-I184 WeakPolarHBondContact CB-O 3.33Å; S135-I184 PolarHBondContact N-O 2.87Å; F156-I184 HydrophobicContact CE1-CD1 4.03Å; F156-I184 HydrophobicContact CZ-CD1 4.35Å; F156-I184 HydrophobicContact CZ-CG2 4.32Å; I184-I186 HydrophobicContact CG2-CG1 4.18Å; I184-G218 WeakPolarHBondContact CG2-O 3.42Å; I184-L248 HydrophobicContact CG2-CD2 4.45Å; I184-A251 HydrophobicContact CD1-CB 4.05Å
185	T	93	Very high	77.6	Confident	20 Å²	20	56.2 Å²	56.2	12%	0.123	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.8	169.1	-47.6	0	0	0	0	110.6	K137 Y172 I187 D219 T220	K137-T185 HydrophobicContact CB-CG2 4.33Å; Y172-T185 HydrophobicContact CE2-CG2 4.47Å; T185-I187 HydrophobicContact CG2-CD1 4.12Å; T185-I187 HydrophobicContact CG2-CG1 3.86Å; T185-D219 WeakPolarHBondContact CA-OD1 3.46Å; T185-D219 WeakPolarHBondContact CB-OD1 3.37Å; T185-D219 PolarHBondContact N-OD1 2.85Å; T185-D219 WeakPolarHBondContact O-CA 3.49Å; T185-D219 PolarHBondContact OG1-OD1 3.39Å; T185-D219 VanDerWaalsContact OG1-OD1 3.13Å; T185-T220 PolarHBondContact O-N 2.85Å
186	I	96.3	Very high	76.5	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	123.3	175.7	-65.7	173.6	0	0	0	109.4	Y134 S135 I136 K137 I152 F156 I184 F188 T220 F222	Y134-I186 HydrophobicContact CD2-CD1 4.17Å; S135-I186 PolarHBondContact O-N 2.84Å; I136-I186 HydrophobicContact CG1-CB 4.27Å; I136-I186 HydrophobicContact CG1-CD1 4.35Å; K137-I186 WeakPolarHBondContact CB-O 3.44Å; K137-I186 PolarHBondContact N-O 3.2Å; I152-I186 HydrophobicContact CD1-CD1 4.43Å; I152-I186 HydrophobicContact CG2-CD1 3.3Å; F156-I186 HydrophobicContact CE2-CD1 3.84Å; F156-I186 HydrophobicContact CZ-CD1 4.21Å; I184-I186 HydrophobicContact CG2-CG1 4.18Å; I186-F188 HydrophobicContact CG2-CE2 4.04Å; I186-T220 WeakPolarHBondContact CA-O 3.33Å; I186-F222 HydrophobicContact CG2-CD2 4.08Å; I186-F222 HydrophobicContact CG2-CE2 3.77Å
187	I	91.9	Very high	76.1	Confident	23 Å²	23	54.2 Å²	54.2	12%	0.118	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.6	-174.6	-51.2	-177.2	0	0	0	109.8	K137 T185 A189 T220 H221 F222	K137-I187 HydrophobicContact CB-CG1 4.2Å; K137-I187 HydrophobicContact CD-CD1 4.06Å; K137-I187 HydrophobicContact CD-CG1 4.03Å; K137-I187 HydrophobicContact CD-CG2 4.31Å; T185-I187 HydrophobicContact CG2-CD1 4.12Å; T185-I187 HydrophobicContact CG2-CG1 3.86Å; I187-A189 HydrophobicContact CG2-CB 4.23Å; I187-T220 PolarHBondContact N-O 3.14Å; I187-H221 CarbonylContact O-C 3.55Å; I187-H221 VanDerWaalsContact O-CA 3.28Å; I187-H221 WeakPolarHBondContact O-CA 3.41Å; I187-F222 PolarHBondContact O-N 3.07Å
188	F	93.5	Very high	75.8	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.018	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.1	166.5	-69.5	-101.1	0	0	0	107.8	N138 T140 T148 I186 F222 S224 L240	N138-F188 PolarHBondContact ND2-O 2.95Å; N138-F188 WeakPolarHBondContact O-CD2 3.43Å; N138-F188 PolarHBondContact OD1-N 3.07Å; N138-F188 PolarHBondContact OD1-O 2.8Å; T140-F188 HydrophobicContact CG2-CD1 4.17Å; T140-F188 HydrophobicContact CG2-CE1 3.71Å; T140-F188 HydrophobicContact CG2-CZ 4.23Å; T148-F188 HydrophobicContact CG2-CE2 3.88Å; T148-F188 HydrophobicContact CG2-CZ 3.73Å; I186-F188 HydrophobicContact CG2-CE2 4.04Å; F188-F222 WeakPolarHBondContact CA-O 3.39Å; F188-F222 HydrophobicContact CD1-CB 3.57Å; F188-F222 HydrophobicContact CD1-CG 4.27Å; F188-F222 HydrophobicContact CE1-CB 3.65Å; F188-F222 HydrophobicContact CE1-CD2 4.15Å; F188-F222 AromaticContact CE1-CG 3.89Å; F188-F222 HydrophobicContact CE1-CG 3.89Å; F188-F222 HydrophobicContact CE2-CD2 4.2Å; F188-F222 HydrophobicContact CG-CB 4.19Å; F188-F222 HydrophobicContact CZ-CB 4.33Å; F188-F222 AromaticContact CZ-CD2 3.97Å; F188-F222 HydrophobicContact CZ-CD2 3.97Å; F188-F222 HydrophobicContact CZ-CG 4.15Å; F188-S224 WeakPolarHBondContact CB-OG 3.29Å; F188-S224 PolarHBondContact O-OG 2.75Å; F188-L240 HydrophobicContact CE1-CD1 3.8Å; F188-L240 HydrophobicContact CE1-CD2 4.31Å; F188-L240 HydrophobicContact CZ-CD1 3.89Å; F188-L240 HydrophobicContact CZ-CD2 4.08Å
189	A	82.3	Confident	76.2	Confident	18 Å²	18	49.8 Å²	49.8	15%	0.149	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	163	179.3	0	0	0	0	0	112.3	I187 H193 F199 F222 D223 S224	I187-A189 HydrophobicContact CG2-CB 4.23Å; A189-H193 HydrophobicContact CB-CB 3.23Å; A189-F199 WeakPolarHBondContact O-CD2 3.22Å; A189-F199 WeakPolarHBondContact O-CE2 3.31Å; A189-F222 PolarHBondContact N-O 2.83Å; A189-D223 CarbonylContact O-C 3.55Å; A189-D223 WeakPolarHBondContact O-CA 3.44Å; A189-S224 WeakPolarHBondContact CA-OG 3.46Å; A189-S224 PolarHBondContact N-OG 3.15Å; A189-S224 PolarHBondContact O-N 3.09Å
190	S	79.6	Confident	76.6	Confident	52 Å²	52	46 Å²	46	36%	0.364	27%	0.273	S	S	.	.			trans	-113.1	149.7	176.6	-53.4	0	0	0	0	110.1	F192 S224 D225	S190-F192 PolarHBondContact O-N 3.25Å; S190-S224 WeakPolarHBondContact OG-CB 3.42Å; S190-D225 WeakPolarHBondContact CB-OD1 3.47Å; S190-D225 WeakPolarHBondContact CB-OD2 3.27Å; S190-D225 VanDerWaalsContact OG-CG 3.3Å; S190-D225 PolarHBondContact OG-OD1 3.16Å
191	G	72.8	Confident	76.5	Confident	24 Å²	24	42 Å²	42	25%	0.247	26%	0.262	C	S	.	.	S	Bend	trans	55	-131.7	174.9	0	0	0	0	0	113.6	H193 P198 F199	G191-H193 PolarHBondContact O-ND1 2.95Å; G191-P198 WeakPolarHBondContact O-CA 3.39Å; G191-F199 PolarHBondContact O-N 3.41Å
192	F	61.2	Low	76.7	Confident	146 Å²	146	42.8 Å²	42.8	64%	0.64	26%	0.261	S	S	*	.	S	Bend	trans	-78.7	121	175.7	179	-99.9	0	0	0	111.3	S190 D195 P198	S190-F192 PolarHBondContact O-N 3.25Å; F192-D195 WeakPolarHBondContact CE2-O 3.33Å; F192-P198 HydrophobicContact CB-CB 4.42Å
193	H	63.3	Low	76.2	Confident	28 Å²	28	43.7 Å²	43.7	13%	0.13	27%	0.272	C	S	.	.			trans	-134.2	30	-166.7	55.9	-89.3	0	0	0	114.5	A189 G191 D195 S197 F199 H208 H221	A189-H193 HydrophobicContact CB-CB 3.23Å; G191-H193 PolarHBondContact O-ND1 2.95Å; H193-D195 IonicContact CD2-OD1 3.04Å; H193-D195 IonicContact CE1-OD1 3.81Å; H193-D195 IonicContact NE2-OD1 2.73Å; H193-D195 IonicContact NE2-OD2 3.9Å; H193-S197 PolarHBondContact CE1-O 3.22Å; H193-F199 AromaticContact CE1-CD2 3.23Å; H193-F199 WeakPolarHBondContact CE1-CD2 3.42Å; H193-F199 AromaticContact CE1-CE2 3.16Å; H193-F199 WeakPolarHBondContact CE1-CE2 3.49Å; H193-F199 AromaticContact CE1-CG 3.87Å; H193-F199 AromaticContact CE1-CZ 3.75Å; H193-F199 AromaticContact ND1-CD2 3.34Å; H193-F199 VanDerWaalsContact ND1-CD2 3.34Å; H193-F199 WeakPolarHBondContact ND1-CD2 3.27Å; H193-F199 AromaticContact ND1-CE2 3.58Å; H193-F199 AromaticContact NE2-CE2 3.54Å; H193-F199 AromaticContact NE2-CZ 3.95Å; H193-H208 AromaticContact NE2-CE1 3.6Å; H193-H208 AromaticContact NE2-NE2 3.6Å; H193-H221 AromaticContact CD2-CE1 3.9Å; H193-H221 AromaticContact CD2-CG 3.86Å; H193-H221 AromaticContact CD2-ND1 3.15Å; H193-H221 PolarHBondContact CD2-ND1 3.4Å; H193-H221 AromaticContact NE2-CG 3.72Å; H193-H221 AromaticContact NE2-ND1 3Å; H193-H221 PolarHBondContact NE2-ND1 2.95Å
194	G	51.3	Low	75.8	Confident	68 Å²	68	43.2 Å²	43.2	70%	0.701	28%	0.275	S	S	*	.	S	Bend	trans	98.7	6.3	171.2	0	0	0	0	0	115.3
195	D	61.4	Low	75.1	Confident	18 Å²	18	43.4 Å²	43.4	10%	0.096	28%	0.275	C	S	.	.	S	Bend	trans	-133.6	-174.6	175.7	79.4	5.8	0	0	0	112.9	F192 H193 S197 H208 Y210 H221	F192-D195 WeakPolarHBondContact CE2-O 3.33Å; H193-D195 IonicContact CD2-OD1 3.04Å; H193-D195 IonicContact CE1-OD1 3.81Å; H193-D195 IonicContact NE2-OD1 2.73Å; H193-D195 IonicContact NE2-OD2 3.9Å; D195-S197 VanDerWaalsContact C-N 3.3Å; D195-S197 PolarHBondContact O-N 3.22Å; D195-S197 PolarHBondContact OD1-N 3.21Å; D195-H208 IonicContact OD1-CE1 3.61Å; D195-H208 IonicContact OD2-CE1 2.7Å; D195-H208 PolarHBondContact OD2-CE1 3.47Å; D195-H208 IonicContact OD2-NE2 3.11Å; D195-H208 PolarHBondContact OD2-NE2 3.24Å; D195-Y210 HydrophobicContact CB-CE2 4.39Å; D195-Y210 VanDerWaalsContact CB-OH 3.27Å; D195-Y210 WeakPolarHBondContact CB-OH 3.44Å; D195-Y210 VanDerWaalsContact OD2-CE2 3.3Å; D195-Y210 WeakPolarHBondContact OD2-CE2 3.35Å; D195-Y210 PolarHBondContact OD2-OH 3.1Å; D195-H221 IonicContact OD2-CE1 3.5Å; D195-H221 PolarHBondContact OD2-CE1 3.37Å; D195-H221 IonicContact OD2-ND1 2.95Å; D195-H221 PolarHBondContact OD2-ND1 3.13Å
196	S	55.7	Low	74.9	Confident	79 Å²	79	42.7 Å²	42.7	55%	0.552	27%	0.271	S	S	*	.	S	Bend	trans	-85.1	7.5	-174.9	57.8	0	0	0	0	115.4
197	S	62.9	Low	74.8	Confident	44 Å²	44	42.6 Å²	42.6	31%	0.308	27%	0.27	S	S	.	.			trans	-132.5	75	-168.9	-71	0	0	0	0	110.5	H193 D195 H208	H193-S197 PolarHBondContact CE1-O 3.22Å; D195-S197 VanDerWaalsContact C-N 3.3Å; D195-S197 PolarHBondContact O-N 3.22Å; D195-S197 PolarHBondContact OD1-N 3.21Å; S197-H208 WeakPolarHBondContact CB-CE1 3.43Å; S197-H208 VanDerWaalsContact CB-ND1 3.27Å; S197-H208 WeakPolarHBondContact CB-ND1 3.39Å; S197-H208 PolarHBondContact O-CE1 3.37Å; S197-H208 VanDerWaalsContact O-CE1 3.31Å
198	P	66.7	Low	74.6	Confident	67 Å²	67	41.9 Å²	41.9	44%	0.435	27%	0.266	S	S	.	.			trans	-66.2	143.4	-178.3	28.9	-35.2	0	0	0	111.8	G191 F192 F205	G191-P198 WeakPolarHBondContact O-CA 3.39Å; F192-P198 HydrophobicContact CB-CB 4.42Å; P198-F205 WeakPolarHBondContact O-CE1 3.27Å
199	F	75.6	Confident	74.5	Confident	13 Å²	13	41.9 Å²	41.9	6%	0.057	27%	0.267	C	S	.	.			trans	-72	153.8	172.9	-69.3	-55.1	0	0	0	112.1	A189 G191 H193 F205 H221 D223	A189-F199 WeakPolarHBondContact O-CD2 3.22Å; A189-F199 WeakPolarHBondContact O-CE2 3.31Å; G191-F199 PolarHBondContact O-N 3.41Å; H193-F199 AromaticContact CE1-CD2 3.23Å; H193-F199 WeakPolarHBondContact CE1-CD2 3.42Å; H193-F199 AromaticContact CE1-CE2 3.16Å; H193-F199 WeakPolarHBondContact CE1-CE2 3.49Å; H193-F199 AromaticContact CE1-CG 3.87Å; H193-F199 AromaticContact CE1-CZ 3.75Å; H193-F199 AromaticContact ND1-CD2 3.34Å; H193-F199 VanDerWaalsContact ND1-CD2 3.34Å; H193-F199 WeakPolarHBondContact ND1-CD2 3.27Å; H193-F199 AromaticContact ND1-CE2 3.58Å; H193-F199 AromaticContact NE2-CE2 3.54Å; H193-F199 AromaticContact NE2-CZ 3.95Å; F199-F205 AromaticContact CD1-CD1 3.82Å; F199-F205 HydrophobicContact CD1-CD1 3.82Å; F199-F205 HydrophobicContact CD1-CD2 4.1Å; F199-F205 AromaticContact CD1-CE1 3.68Å; F199-F205 HydrophobicContact CD1-CE1 3.68Å; F199-F205 AromaticContact CD1-CE2 3.87Å; F199-F205 HydrophobicContact CD1-CE2 3.87Å; F199-F205 HydrophobicContact CD1-CG 4.05Å; F199-F205 AromaticContact CD1-CZ 3.68Å; F199-F205 HydrophobicContact CD1-CZ 3.68Å; F199-F205 HydrophobicContact CE1-CD1 4.46Å; F199-F205 HydrophobicContact CE1-CD2 4.08Å; F199-F205 HydrophobicContact CE1-CE1 4.06Å; F199-F205 AromaticContact CE1-CE2 3.54Å; F199-F205 HydrophobicContact CE1-CE2 3.54Å; F199-F205 HydrophobicContact CE1-CG 4.49Å; F199-F205 AromaticContact CE1-CZ 3.56Å; F199-F205 HydrophobicContact CE1-CZ 3.56Å; F199-H221 HydrophobicContact CE2-CB 4.15Å; F199-H221 HydrophobicContact CZ-CB 3.82Å; F199-D223 HydrophobicContact CB-CB 4.14Å; F199-D223 VanDerWaalsContact CB-OD2 3.32Å; F199-D223 WeakPolarHBondContact CB-OD2 3.42Å; F199-D223 HydrophobicContact CD1-CB 3.59Å; F199-D223 HydrophobicContact CD2-CB 3.89Å; F199-D223 HydrophobicContact CE1-CB 3.9Å; F199-D223 HydrophobicContact CE2-CB 4.17Å; F199-D223 HydrophobicContact CG-CB 3.61Å; F199-D223 HydrophobicContact CZ-CB 4.19Å
200	D	71.6	Confident	74.5	Confident	88 Å²	88	43.3 Å²	43.3	47%	0.471	27%	0.269	S	S	.	.			trans	-103.8	3.7	-175.4	47.3	26.7	0	0	0	114.5	K49 F205	K49-D200 IonicContact NZ-OD2 3.94Å; K49-D200 PolarHBondContact NZ-OD2 3.3Å; D200-F205 WeakPolarHBondContact OD1-CB 3.27Å; D200-F205 PolarHBondContact OD1-N 2.94Å; D200-F205 WeakPolarHBondContact OD2-CB 3.29Å
201	G	73.9	Confident	74.8	Confident	14 Å²	14	42.5 Å²	42.5	14%	0.144	26%	0.259	C	S	.	.	S	Bend	trans	97.4	-157.1	178.5	0	0	0	0	0	111.1	G203	G201-G203 PolarHBondContact O-N 3.16Å
202	E	82.6	Confident	75.5	Confident	153 Å²	153	41.8 Å²	41.8	72%	0.715	25%	0.25	S	S	*	.	S	Bend	trans	-65.5	123.9	-177.5	-175.2	176.8	172	0	0	112.9
203	G	77.1	Confident	76.1	Confident	28 Å²	28	35.8 Å²	35.8	29%	0.289	23%	0.23	S	C	.	.	S	Bend	trans	85.6	168.3	178.8	0	0	0	0	0	112.9	G201 F205 E226	G201-G203 PolarHBondContact O-N 3.16Å; G203-F205 PolarHBondContact O-N 3.42Å; G203-E226 WeakPolarHBondContact CA-OE1 3.42Å; G203-E226 VanDerWaalsContact N-CD 3.28Å; G203-E226 PolarHBondContact N-OE1 3.34Å; G203-E226 PolarHBondContact N-OE2 3.38Å
204	G	82.8	Confident	76.1	Confident	20 Å²	20	38.8 Å²	38.8	21%	0.206	25%	0.252	C	S	.	.	S	Bend	trans	78.8	-87.7	179.9	0	0	0	0	0	112.2	P99 R100	P99-G204 CarbonylContact C-O 3.54Å; P99-G204 WeakPolarHBondContact CA-O 3.35Å; R100-G204 WeakPolarHBondContact CG-O 3.36Å; R100-G204 PolarHBondContact N-O 2.74Å; R100-G204 VanDerWaalsContact O-O 3.14Å
205	F	81.3	Confident	77.2	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.018	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-102.4	93.1	-171	177.6	-165.2	0	0	0	111.9	K49 P198 F199 D200 G203 A207 H208	K49-F205 VanDerWaalsContact NZ-CD1 3.26Å; P198-F205 WeakPolarHBondContact O-CE1 3.27Å; F199-F205 AromaticContact CD1-CD1 3.82Å; F199-F205 HydrophobicContact CD1-CD1 3.82Å; F199-F205 HydrophobicContact CD1-CD2 4.1Å; F199-F205 AromaticContact CD1-CE1 3.68Å; F199-F205 HydrophobicContact CD1-CE1 3.68Å; F199-F205 AromaticContact CD1-CE2 3.87Å; F199-F205 HydrophobicContact CD1-CE2 3.87Å; F199-F205 HydrophobicContact CD1-CG 4.05Å; F199-F205 AromaticContact CD1-CZ 3.68Å; F199-F205 HydrophobicContact CD1-CZ 3.68Å; F199-F205 HydrophobicContact CE1-CD1 4.46Å; F199-F205 HydrophobicContact CE1-CD2 4.08Å; F199-F205 HydrophobicContact CE1-CE1 4.06Å; F199-F205 AromaticContact CE1-CE2 3.54Å; F199-F205 HydrophobicContact CE1-CE2 3.54Å; F199-F205 HydrophobicContact CE1-CG 4.49Å; F199-F205 AromaticContact CE1-CZ 3.56Å; F199-F205 HydrophobicContact CE1-CZ 3.56Å; D200-F205 WeakPolarHBondContact OD1-CB 3.27Å; D200-F205 PolarHBondContact OD1-N 2.94Å; D200-F205 WeakPolarHBondContact OD2-CB 3.29Å; G203-F205 PolarHBondContact O-N 3.42Å; F205-A207 VanDerWaalsContact CE2-C 3.47Å; F205-A207 WeakPolarHBondContact CE2-O 3.33Å; F205-H208 HydrophobicContact CE2-CB 3.87Å; F205-H208 HydrophobicContact CZ-CB 4.06Å; F205-H208 AromaticContact CZ-CG 3.94Å; F205-H208 AromaticContact CZ-ND1 3.3Å; F205-H208 VanDerWaalsContact CZ-ND1 3.3Å; F205-H208 WeakPolarHBondContact CZ-ND1 3.4Å
206	L	90.4	Very high	77.4	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.021	26%	0.262	C	S	.	.			trans	-70.7	-45.2	-171.6	-58.7	-170.3	0	0	0	114.4	P99 R100 D223 E226 W228 N238 V243 Y268	P99-L206 HydrophobicContact CB-CD1 3.99Å; P99-L206 HydrophobicContact CB-CD2 3.61Å; P99-L206 HydrophobicContact CB-CG 3.89Å; R100-L206 PolarHBondContact O-N 2.74Å; L206-D223 WeakPolarHBondContact O-CB 3.37Å; L206-D223 PolarHBondContact O-N 3.31Å; L206-E226 HydrophobicContact CD2-CG 3.86Å; L206-E226 VanDerWaalsContact CD2-OE1 3.28Å; L206-E226 WeakPolarHBondContact CD2-OE1 3.43Å; L206-E226 WeakPolarHBondContact CD2-OE2 3.41Å; L206-W228 HydrophobicContact CB-CH2 4.33Å; L206-N238 HydrophobicContact CD1-CB 4.24Å; L206-N238 HydrophobicContact CD2-CB 4.49Å; L206-N238 VanDerWaalsContact CD2-ND2 3.31Å; L206-N238 WeakPolarHBondContact CD2-ND2 3.38Å; L206-V243 HydrophobicContact CB-CG1 4.47Å; L206-V243 HydrophobicContact CD1-CG2 3.83Å; L206-Y268 HydrophobicContact CD1-CD2 3.93Å; L206-Y268 HydrophobicContact CD1-CG 3.86Å
207	A	93.1	Very high	78.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	160.2	-171.3	0	0	0	0	0	110.3	G102 F205 H221 F222 V243 E247	G102-A207 PolarHBondContact N-O 3.44Å; F205-A207 VanDerWaalsContact CE2-C 3.47Å; F205-A207 WeakPolarHBondContact CE2-O 3.33Å; A207-H221 CarbonylContact C-O 3.45Å; A207-H221 WeakPolarHBondContact CA-O 3.44Å; A207-H221 VanDerWaalsContact CB-O 3.25Å; A207-H221 WeakPolarHBondContact CB-O 3.28Å; A207-F222 HydrophobicContact CB-CD1 3.83Å; A207-F222 HydrophobicContact CB-CE1 4.33Å; A207-F222 HydrophobicContact CB-CG 4.38Å; A207-V243 HydrophobicContact CB-CG1 3.66Å; A207-E247 HydrophobicContact CB-CG 3.57Å
208	H	87.8	Confident	79.3	Confident	7 Å²	7	36.1 Å²	36.1	3%	0.032	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	164.9	165.4	63.2	-147.5	0	0	0	110.8	V103 H193 D195 S197 F205 H221 E247	V103-H208 HydrophobicContact CG2-CB 4.18Å; H193-H208 AromaticContact NE2-CE1 3.6Å; H193-H208 AromaticContact NE2-NE2 3.6Å; D195-H208 IonicContact OD1-CE1 3.61Å; D195-H208 IonicContact OD2-CE1 2.7Å; D195-H208 PolarHBondContact OD2-CE1 3.47Å; D195-H208 IonicContact OD2-NE2 3.11Å; D195-H208 PolarHBondContact OD2-NE2 3.24Å; S197-H208 WeakPolarHBondContact CB-CE1 3.43Å; S197-H208 VanDerWaalsContact CB-ND1 3.27Å; S197-H208 WeakPolarHBondContact CB-ND1 3.39Å; S197-H208 PolarHBondContact O-CE1 3.37Å; S197-H208 VanDerWaalsContact O-CE1 3.31Å; F205-H208 HydrophobicContact CE2-CB 3.87Å; F205-H208 HydrophobicContact CZ-CB 4.06Å; F205-H208 AromaticContact CZ-CG 3.94Å; F205-H208 AromaticContact CZ-ND1 3.3Å; F205-H208 VanDerWaalsContact CZ-ND1 3.3Å; F205-H208 WeakPolarHBondContact CZ-ND1 3.4Å; H208-H221 AromaticContact CD2-CG 3.87Å; H208-H221 AromaticContact CD2-ND1 3.83Å; H208-H221 AromaticContact CE1-ND1 3.98Å; H208-H221 PolarHBondContact N-O 2.89Å; H208-H221 AromaticContact NE2-CE1 3.91Å; H208-H221 AromaticContact NE2-CG 3.45Å; H208-H221 AromaticContact NE2-ND1 2.99Å; H208-H221 PolarHBondContact NE2-ND1 3.15Å; H208-H221 PolarHBondContact O-N 3.25Å; H208-E247 WeakPolarHBondContact CA-OE2 3.41Å
209	A	91.4	Very high	80.3	Confident	5 Å²	5	33.7 Å²	33.7	4%	0.041	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	151.7	162.8	0	0	0	0	0	111.6	D219 T220 E247 H250 A251	A209-D219 CarbonylContact C-O 3.5Å; A209-D219 VanDerWaalsContact CA-O 3.26Å; A209-D219 WeakPolarHBondContact CA-O 3.4Å; A209-T220 HydrophobicContact CB-CG2 4.11Å; A209-T220 WeakPolarHBondContact CB-OG1 3.29Å; A209-E247 HydrophobicContact CB-CB 4.11Å; A209-E247 VanDerWaalsContact CB-O 3.26Å; A209-E247 WeakPolarHBondContact CB-O 3.06Å; A209-E247 PolarHBondContact N-OE2 3.34Å; A209-E247 VanDerWaalsContact N-OE2 3.13Å; A209-H250 HydrophobicContact CB-CB 3.97Å; A209-A251 HydrophobicContact CB-CB 4.39Å
210	Y	82.9	Confident	81.2	Confident	47 Å²	47	33 Å²	33	18%	0.184	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-84.5	144.2	170.7	-68.7	-85.6	0	0	0	110.4	D195 I216 G218 D219 A251	D195-Y210 HydrophobicContact CB-CE2 4.39Å; D195-Y210 VanDerWaalsContact CB-OH 3.27Å; D195-Y210 WeakPolarHBondContact CB-OH 3.44Å; D195-Y210 VanDerWaalsContact OD2-CE2 3.3Å; D195-Y210 WeakPolarHBondContact OD2-CE2 3.35Å; D195-Y210 PolarHBondContact OD2-OH 3.1Å; Y210-I216 VanDerWaalsContact CB-O 3.22Å; Y210-I216 WeakPolarHBondContact CB-O 3.5Å; Y210-I216 HydrophobicContact CD1-CD1 3.96Å; Y210-I216 HydrophobicContact CD1-CG1 4.33Å; Y210-I216 HydrophobicContact CD2-CB 4.49Å; Y210-I216 HydrophobicContact CD2-CD1 4.22Å; Y210-I216 HydrophobicContact CD2-CG1 4.41Å; Y210-I216 HydrophobicContact CE1-CD1 3.68Å; Y210-I216 HydrophobicContact CE2-CD1 3.98Å; Y210-I216 HydrophobicContact CG-CD1 4.24Å; Y210-I216 HydrophobicContact CG-CG1 4.29Å; Y210-G218 VanDerWaalsContact O-CA 3.26Å; Y210-G218 WeakPolarHBondContact O-CA 3.12Å; Y210-G218 PolarHBondContact O-N 3.45Å; Y210-D219 HydrophobicContact CD2-CB 4.33Å; Y210-D219 PolarHBondContact N-O 3.38Å; Y210-A251 WeakPolarHBondContact O-CA 3.46Å
211	F	85.6	Confident	82.3	Confident	36 Å²	36	29.2 Å²	29.2	16%	0.158	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-64.8	160.2	174.7	-60.1	-56.1	0	0	0	112.3	V103 T123 Q125 G213 G217 G218 H250 L254	V103-F211 HydrophobicContact CG1-CZ 3.91Å; T123-F211 HydrophobicContact CG2-CD1 3.41Å; T123-F211 VanDerWaalsContact CG2-CD1 3.41Å; T123-F211 HydrophobicContact CG2-CD2 3.93Å; T123-F211 HydrophobicContact CG2-CE1 3.29Å; T123-F211 HydrophobicContact CG2-CE2 3.83Å; T123-F211 HydrophobicContact CG2-CG 3.73Å; T123-F211 HydrophobicContact CG2-CZ 3.51Å; Q125-F211 HydrophobicContact CB-CB 4.45Å; F211-G213 PolarHBondContact O-N 3.21Å; F211-G217 CarbonylContact O-C 3.59Å; F211-G217 VanDerWaalsContact O-CA 3.24Å; F211-G217 WeakPolarHBondContact O-CA 3.42Å; F211-G218 PolarHBondContact O-N 3.13Å; F211-G218 VanDerWaalsContact O-N 3.13Å; F211-H250 HydrophobicContact CD1-CB 4.33Å; F211-H250 WeakPolarHBondContact CD1-O 3.29Å; F211-H250 HydrophobicContact CE1-CB 4.1Å; F211-H250 AromaticContact CE1-ND1 3.69Å; F211-L254 VanDerWaalsContact CE1-O 3.32Å; F211-L254 WeakPolarHBondContact CE1-O 3.34Å
212	P	87.4	Confident	83.3	Confident	8 Å²	8	28.6 Å²	28.6	5%	0.052	18%	0.178	C	C	.	.	S	Bend	trans	-50.9	125.8	-179.8	-26.3	29.4	0	0	0	113.3	Q125 W127 A251 L252 G253	Q125-P212 PolarHBondContact OE1-O 2.99Å; W127-P212 HydrophobicContact CD2-CB 3.92Å; W127-P212 HydrophobicContact CG-CB 4.08Å; W127-P212 HydrophobicContact CZ2-CB 4.2Å; P212-A251 VanDerWaalsContact CG-O 3.3Å; P212-A251 WeakPolarHBondContact CG-O 3.5Å; P212-L252 VanDerWaalsContact CG-C 3.47Å; P212-G253 VanDerWaalsContact CD-CA 3.49Å
213	G	74.1	Confident	83.9	Confident	21 Å²	21	21.3 Å²	21.3	22%	0.216	14%	0.144	C	C	.	.			trans	177.3	168.9	179.3	0	0	0	0	0	112.3	W127 F211 G217	W127-G213 WeakPolarHBondContact CH2-O 3.41Å; F211-G213 PolarHBondContact O-N 3.21Å; G213-G217 CarbonylContact O-C 3.54Å; G213-G217 VanDerWaalsContact O-CA 3.27Å; G213-G217 WeakPolarHBondContact O-CA 3.31Å; G213-G217 VanDerWaalsContact O-O 3.05Å
214	P	63.6	Low	84.6	Confident	91 Å²	91	21.4 Å²	21.4	59%	0.591	14%	0.14	S	C	*	.	S	Bend	trans	-71.4	158.2	176.6	30	-35.2	0	0	0	112.3	I216 D377	P214-I216 PolarHBondContact O-N 3.3Å; P214-D377 HydrophobicContact CB-CB 4.17Å; P214-D377 HydrophobicContact CG-CB 3.71Å
215	G	72.9	Confident	84.9	Confident	53 Å²	53	23.6 Å²	23.6	55%	0.546	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	-120.5	-178.6	0	0	0	0	0	111	G217	G215-G217 PolarHBondContact O-N 3.02Å
216	I	66.3	Low	85.4	Confident	92 Å²	92	23.5 Å²	23.5	47%	0.472	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-1.2	178.6	66.9	173.2	0	0	0	113.4	Y210 P214 G218 D219	Y210-I216 VanDerWaalsContact CB-O 3.22Å; Y210-I216 WeakPolarHBondContact CB-O 3.5Å; Y210-I216 HydrophobicContact CD1-CD1 3.96Å; Y210-I216 HydrophobicContact CD1-CG1 4.33Å; Y210-I216 HydrophobicContact CD2-CB 4.49Å; Y210-I216 HydrophobicContact CD2-CD1 4.22Å; Y210-I216 HydrophobicContact CD2-CG1 4.41Å; Y210-I216 HydrophobicContact CE1-CD1 3.68Å; Y210-I216 HydrophobicContact CE2-CD1 3.98Å; Y210-I216 HydrophobicContact CG-CD1 4.24Å; Y210-I216 HydrophobicContact CG-CG1 4.29Å; P214-I216 PolarHBondContact O-N 3.3Å; I216-G218 PolarHBondContact O-N 3.47Å; I216-D219 WeakPolarHBondContact CA-OD2 3.5Å; I216-D219 VanDerWaalsContact O-CB 3.27Å; I216-D219 WeakPolarHBondContact O-CB 3.38Å; I216-D219 PolarHBondContact O-N 2.85Å
217	G	74.9	Confident	85.5	Confident	7 Å²	7	25.5 Å²	25.5	7%	0.072	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	127.5	-179.9	0	0	0	0	0	110.1	W127 D183 F211 G213 G215 D219	W127-G217 WeakPolarHBondContact CH2-O 3.38Å; D183-G217 VanDerWaalsContact O-O 3.09Å; F211-G217 CarbonylContact O-C 3.59Å; F211-G217 VanDerWaalsContact O-CA 3.24Å; F211-G217 WeakPolarHBondContact O-CA 3.42Å; G213-G217 CarbonylContact O-C 3.54Å; G213-G217 VanDerWaalsContact O-CA 3.27Å; G213-G217 WeakPolarHBondContact O-CA 3.31Å; G213-G217 VanDerWaalsContact O-O 3.05Å; G215-G217 PolarHBondContact O-N 3.02Å; G217-D219 VanDerWaalsContact C-N 3.34Å
218	G	83.1	Confident	85.5	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	-22.6	-170.4	0	0	0	0	0	114.7	I184 Y210 F211 I216 T220 A251	I184-G218 WeakPolarHBondContact CG2-O 3.42Å; Y210-G218 VanDerWaalsContact O-CA 3.26Å; Y210-G218 WeakPolarHBondContact O-CA 3.12Å; Y210-G218 PolarHBondContact O-N 3.45Å; F211-G218 PolarHBondContact O-N 3.13Å; F211-G218 VanDerWaalsContact O-N 3.13Å; I216-G218 PolarHBondContact O-N 3.47Å; G218-T220 PolarHBondContact O-N 2.95Å; G218-T220 PolarHBondContact O-OG1 3.29Å; G218-A251 VanDerWaalsContact O-CB 3.32Å; G218-A251 WeakPolarHBondContact O-CB 3.21Å
219	D	88.7	Confident	85.8	Confident	16 Å²	16	27.1 Å²	27.1	9%	0.086	17%	0.17	C	C	.	.			trans	-59.1	136.1	-178.9	-73.5	-10	0	0	0	110.6	T185 A209 Y210 I216 G217	T185-D219 WeakPolarHBondContact CA-OD1 3.46Å; T185-D219 WeakPolarHBondContact CB-OD1 3.37Å; T185-D219 PolarHBondContact N-OD1 2.85Å; T185-D219 WeakPolarHBondContact O-CA 3.49Å; T185-D219 PolarHBondContact OG1-OD1 3.39Å; T185-D219 VanDerWaalsContact OG1-OD1 3.13Å; A209-D219 CarbonylContact C-O 3.5Å; A209-D219 VanDerWaalsContact CA-O 3.26Å; A209-D219 WeakPolarHBondContact CA-O 3.4Å; Y210-D219 HydrophobicContact CD2-CB 4.33Å; Y210-D219 PolarHBondContact N-O 3.38Å; I216-D219 WeakPolarHBondContact CA-OD2 3.5Å; I216-D219 VanDerWaalsContact O-CB 3.27Å; I216-D219 WeakPolarHBondContact O-CB 3.38Å; I216-D219 PolarHBondContact O-N 2.85Å; G217-D219 VanDerWaalsContact C-N 3.34Å
220	T	94.6	Very high	85.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.7	-173.3	-60.4	0	0	0	0	108.9	T185 I186 I187 A209 G218 F222 E247	T185-T220 PolarHBondContact O-N 2.85Å; I186-T220 WeakPolarHBondContact CA-O 3.33Å; I187-T220 PolarHBondContact N-O 3.14Å; A209-T220 HydrophobicContact CB-CG2 4.11Å; A209-T220 WeakPolarHBondContact CB-OG1 3.29Å; G218-T220 PolarHBondContact O-N 2.95Å; G218-T220 PolarHBondContact O-OG1 3.29Å; T220-F222 HydrophobicContact CG2-CD2 4.33Å; T220-F222 HydrophobicContact CG2-CE2 3.57Å; T220-F222 HydrophobicContact CG2-CZ 3.77Å; T220-E247 HydrophobicContact CG2-CB 3.5Å; T220-E247 VanDerWaalsContact CG2-CB 3.5Å; T220-E247 HydrophobicContact CG2-CG 4.24Å
221	H	93.1	Very high	85.4	Confident	7 Å²	7	28.7 Å²	28.7	3%	0.032	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.9	-176.6	-54.1	168.9	0	0	0	110.4	I187 H193 D195 F199 A207 H208	I187-H221 CarbonylContact O-C 3.55Å; I187-H221 VanDerWaalsContact O-CA 3.28Å; I187-H221 WeakPolarHBondContact O-CA 3.41Å; H193-H221 AromaticContact CD2-CE1 3.9Å; H193-H221 AromaticContact CD2-CG 3.86Å; H193-H221 AromaticContact CD2-ND1 3.15Å; H193-H221 PolarHBondContact CD2-ND1 3.4Å; H193-H221 AromaticContact NE2-CG 3.72Å; H193-H221 AromaticContact NE2-ND1 3Å; H193-H221 PolarHBondContact NE2-ND1 2.95Å; D195-H221 IonicContact OD2-CE1 3.5Å; D195-H221 PolarHBondContact OD2-CE1 3.37Å; D195-H221 IonicContact OD2-ND1 2.95Å; D195-H221 PolarHBondContact OD2-ND1 3.13Å; F199-H221 HydrophobicContact CE2-CB 4.15Å; F199-H221 HydrophobicContact CZ-CB 3.82Å; A207-H221 CarbonylContact C-O 3.45Å; A207-H221 WeakPolarHBondContact CA-O 3.44Å; A207-H221 VanDerWaalsContact CB-O 3.25Å; A207-H221 WeakPolarHBondContact CB-O 3.28Å; H208-H221 AromaticContact CD2-CG 3.87Å; H208-H221 AromaticContact CD2-ND1 3.83Å; H208-H221 AromaticContact CE1-ND1 3.98Å; H208-H221 PolarHBondContact N-O 2.89Å; H208-H221 AromaticContact NE2-CE1 3.91Å; H208-H221 AromaticContact NE2-CG 3.45Å; H208-H221 AromaticContact NE2-ND1 2.99Å; H208-H221 PolarHBondContact NE2-ND1 3.15Å; H208-H221 PolarHBondContact O-N 3.25Å
222	F	96.3	Very high	84.6	Confident	1 Å²	1	27.1 Å²	27.1	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.8	176.1	-62.8	-91.2	0	0	0	109.7	I152 I186 I187 F188 A189 A207 T220 S224 W228 L240 V243 A244 E247	I152-F222 HydrophobicContact CD1-CE2 4.05Å; I152-F222 HydrophobicContact CD1-CZ 3.94Å; I186-F222 HydrophobicContact CG2-CD2 4.08Å; I186-F222 HydrophobicContact CG2-CE2 3.77Å; I187-F222 PolarHBondContact O-N 3.07Å; F188-F222 WeakPolarHBondContact CA-O 3.39Å; F188-F222 HydrophobicContact CD1-CB 3.57Å; F188-F222 HydrophobicContact CD1-CG 4.27Å; F188-F222 HydrophobicContact CE1-CB 3.65Å; F188-F222 HydrophobicContact CE1-CD2 4.15Å; F188-F222 AromaticContact CE1-CG 3.89Å; F188-F222 HydrophobicContact CE1-CG 3.89Å; F188-F222 HydrophobicContact CE2-CD2 4.2Å; F188-F222 HydrophobicContact CG-CB 4.19Å; F188-F222 HydrophobicContact CZ-CB 4.33Å; F188-F222 AromaticContact CZ-CD2 3.97Å; F188-F222 HydrophobicContact CZ-CD2 3.97Å; F188-F222 HydrophobicContact CZ-CG 4.15Å; A189-F222 PolarHBondContact N-O 2.83Å; A207-F222 HydrophobicContact CB-CD1 3.83Å; A207-F222 HydrophobicContact CB-CE1 4.33Å; A207-F222 HydrophobicContact CB-CG 4.38Å; T220-F222 HydrophobicContact CG2-CD2 4.33Å; T220-F222 HydrophobicContact CG2-CE2 3.57Å; T220-F222 HydrophobicContact CG2-CZ 3.77Å; F222-S224 PolarHBondContact O-N 3.28Å; F222-W228 HydrophobicContact CB-CZ2 3.86Å; F222-W228 AromaticContact CD1-CH2 3.83Å; F222-W228 HydrophobicContact CD1-CH2 3.83Å; F222-W228 HydrophobicContact CD1-CZ2 4.03Å; F222-W228 HydrophobicContact CD1-CZ3 4.45Å; F222-W228 HydrophobicContact CG-CZ2 4.44Å; F222-L240 HydrophobicContact CD1-CD1 3.8Å; F222-L240 HydrophobicContact CE1-CD1 3.86Å; F222-L240 HydrophobicContact CG-CD1 4.37Å; F222-L240 HydrophobicContact CZ-CD1 4.46Å; F222-V243 HydrophobicContact CD1-CG1 4.19Å; F222-V243 HydrophobicContact CE1-CB 4.44Å; F222-V243 HydrophobicContact CE1-CG1 3.99Å; F222-A244 HydrophobicContact CE1-CB 4.06Å; F222-A244 HydrophobicContact CZ-CB 3.77Å; F222-E247 HydrophobicContact CE1-CG 4.43Å
223	D	93.6	Very high	83.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	118.4	176.2	-170.8	-8.4	0	0	0	109.9	A189 F199 L206 D225 E226 W228	A189-D223 CarbonylContact O-C 3.55Å; A189-D223 WeakPolarHBondContact O-CA 3.44Å; F199-D223 HydrophobicContact CB-CB 4.14Å; F199-D223 VanDerWaalsContact CB-OD2 3.32Å; F199-D223 WeakPolarHBondContact CB-OD2 3.42Å; F199-D223 HydrophobicContact CD1-CB 3.59Å; F199-D223 HydrophobicContact CD2-CB 3.89Å; F199-D223 HydrophobicContact CE1-CB 3.9Å; F199-D223 HydrophobicContact CE2-CB 4.17Å; F199-D223 HydrophobicContact CG-CB 3.61Å; F199-D223 HydrophobicContact CZ-CB 4.19Å; L206-D223 WeakPolarHBondContact O-CB 3.37Å; L206-D223 PolarHBondContact O-N 3.31Å; D223-D225 PolarHBondContact O-N 3.45Å; D223-D225 WeakPolarHBondContact OD1-CB 3.46Å; D223-D225 PolarHBondContact OD1-N 3.49Å; D223-E226 HydrophobicContact CB-CG 3.81Å; D223-E226 PolarHBondContact O-N 3.03Å; D223-W228 PolarHBondContact O-NE1 3.18Å
224	S	92.1	Very high	83	Confident	31 Å²	31	36.7 Å²	36.7	22%	0.217	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.6	179.1	-64.6	0	0	0	0	113.2	K142 F188 A189 S190 F222 E226	K142-S224 PolarHBondContact NZ-O 3.18Å; F188-S224 WeakPolarHBondContact CB-OG 3.29Å; F188-S224 PolarHBondContact O-OG 2.75Å; A189-S224 WeakPolarHBondContact CA-OG 3.46Å; A189-S224 PolarHBondContact N-OG 3.15Å; A189-S224 PolarHBondContact O-N 3.09Å; S190-S224 WeakPolarHBondContact OG-CB 3.42Å; F222-S224 PolarHBondContact O-N 3.28Å; S224-E226 VanDerWaalsContact C-N 3.32Å
225	D	89.4	Confident	83.3	Confident	66 Å²	66	38.2 Å²	38.2	35%	0.353	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-20.8	-179.9	-64.8	-17.6	0	0	0	111.9	K142 S190 D223	K142-D225 PolarHBondContact NZ-O 2.97Å; S190-D225 WeakPolarHBondContact CB-OD1 3.47Å; S190-D225 WeakPolarHBondContact CB-OD2 3.27Å; S190-D225 VanDerWaalsContact OG-CG 3.3Å; S190-D225 PolarHBondContact OG-OD1 3.16Å; D223-D225 PolarHBondContact O-N 3.45Å; D223-D225 WeakPolarHBondContact OD1-CB 3.46Å; D223-D225 PolarHBondContact OD1-N 3.49Å
226	E	92.7	Very high	83.3	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.009	23%	0.228	C	C	.	.	S	Bend	trans	-68.6	141.4	-178.9	-67	-68.1	172.9	0	0	114.2	K142 G203 L206 D223 S224 W228 N238	K142-E226 WeakPolarHBondContact CD-O 3.29Å; K142-E226 WeakPolarHBondContact CE-O 3.43Å; K142-E226 VanDerWaalsContact NZ-C 3.33Å; K142-E226 PolarHBondContact NZ-O 3.28Å; G203-E226 WeakPolarHBondContact CA-OE1 3.42Å; G203-E226 VanDerWaalsContact N-CD 3.28Å; G203-E226 PolarHBondContact N-OE1 3.34Å; G203-E226 PolarHBondContact N-OE2 3.38Å; L206-E226 HydrophobicContact CD2-CG 3.86Å; L206-E226 VanDerWaalsContact CD2-OE1 3.28Å; L206-E226 WeakPolarHBondContact CD2-OE1 3.43Å; L206-E226 WeakPolarHBondContact CD2-OE2 3.41Å; D223-E226 HydrophobicContact CB-CG 3.81Å; D223-E226 PolarHBondContact O-N 3.03Å; S224-E226 VanDerWaalsContact C-N 3.32Å; E226-W228 HydrophobicContact CB-CD2 4.37Å; E226-W228 HydrophobicContact CB-CZ2 3.92Å; E226-W228 HydrophobicContact CG-CZ2 4.29Å; E226-W228 PolarHBondContact O-N 3.35Å; E226-N238 PolarHBondContact OE2-ND2 2.67Å
227	P	91.8	Very high	84.1	Confident	45 Å²	45	36.9 Å²	36.9	29%	0.292	22%	0.218	S	C	.	.			trans	-73.5	75.7	177.5	31.2	-36.5	0	0	0	111	T229 G237 N238	P227-T229 PolarHBondContact O-N 2.93Å; P227-G237 WeakPolarHBondContact O-CA 3.23Å; P227-N238 PolarHBondContact O-N 3.35Å
228	W	94	Very high	84.9	Confident	6 Å²	6	37 Å²	37	2%	0.023	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	128.3	178.7	-64.7	109.7	0	0	0	112.4	T140 K142 V143 L206 F222 D223 E226 N238 L240 V243	T140-W228 HydrophobicContact CG2-CB 4.27Å; T140-W228 HydrophobicContact CG2-CG 4.34Å; K142-W228 HydrophobicContact CB-CB 4.37Å; V143-W228 HydrophobicContact CG2-CB 3.83Å; V143-W228 WeakPolarHBondContact CG2-O 3.42Å; L206-W228 HydrophobicContact CB-CH2 4.33Å; F222-W228 HydrophobicContact CB-CZ2 3.86Å; F222-W228 AromaticContact CD1-CH2 3.83Å; F222-W228 HydrophobicContact CD1-CH2 3.83Å; F222-W228 HydrophobicContact CD1-CZ2 4.03Å; F222-W228 HydrophobicContact CD1-CZ3 4.45Å; F222-W228 HydrophobicContact CG-CZ2 4.44Å; D223-W228 PolarHBondContact O-NE1 3.18Å; E226-W228 HydrophobicContact CB-CD2 4.37Å; E226-W228 HydrophobicContact CB-CZ2 3.92Å; E226-W228 HydrophobicContact CG-CZ2 4.29Å; E226-W228 PolarHBondContact O-N 3.35Å; W228-N238 WeakPolarHBondContact CA-O 3.29Å; W228-N238 HydrophobicContact CE3-CB 4.2Å; W228-N238 HydrophobicContact CZ3-CB 4.08Å; W228-L240 HydrophobicContact CD2-CD1 4.13Å; W228-L240 HydrophobicContact CE3-CB 3.88Å; W228-L240 HydrophobicContact CE3-CD1 3.83Å; W228-L240 HydrophobicContact CE3-CG 4.46Å; W228-L240 HydrophobicContact CZ3-CD1 4.06Å; W228-V243 HydrophobicContact CH2-CB 4.15Å; W228-V243 HydrophobicContact CH2-CG1 3.92Å; W228-V243 HydrophobicContact CH2-CG2 4.24Å; W228-V243 HydrophobicContact CZ3-CB 3.85Å; W228-V243 HydrophobicContact CZ3-CG1 4.16Å; W228-V243 HydrophobicContact CZ3-CG2 3.78Å
229	T	93	Very high	85.4	Confident	35 Å²	35	37 Å²	37	22%	0.215	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	174.5	175.4	61.5	0	0	0	0	111.2	P227 D236 N238 D239 L240	P227-T229 PolarHBondContact O-N 2.93Å; T229-D236 VanDerWaalsContact CG2-O 3.27Å; T229-D236 WeakPolarHBondContact CG2-O 3.42Å; T229-D236 PolarHBondContact OG1-O 3.3Å; T229-N238 PolarHBondContact N-O 3.14Å; T229-D239 WeakPolarHBondContact O-CA 3.32Å; T229-L240 PolarHBondContact O-N 2.9Å
230	L	90.1	Very high	85.8	Confident	58 Å²	58	36.3 Å²	36.3	30%	0.304	21%	0.213	S	C	.	.	S	Bend	trans	-135.9	137.3	172.6	-72.1	-179.9	0	0	0	110.7	V143 E147 A151 N232 D239 L240 F241	V143-L230 HydrophobicContact CG1-CD1 3.28Å; V143-L230 HydrophobicContact CG1-CD2 4.49Å; V143-L230 HydrophobicContact CG1-CG 3.55Å; V143-L230 HydrophobicContact CG2-CG 4.41Å; E147-L230 HydrophobicContact CB-CD1 3.74Å; A151-L230 HydrophobicContact CB-CD1 4.37Å; A151-L230 HydrophobicContact CB-CD2 3.65Å; L230-N232 PolarHBondContact O-N 3.3Å; L230-D239 WeakPolarHBondContact CA-OD2 3.24Å; L230-L240 HydrophobicContact CD2-CB 4.04Å; L230-F241 HydrophobicContact CD2-CB 4.29Å
231	G	76	Confident	85.9	Confident	28 Å²	28	36.4 Å²	36.4	29%	0.289	21%	0.214	S	C	.	.	S	Bend	trans	69.9	-9.2	-179.3	0	0	0	0	0	114.1	P233 D239 Y270	G231-P233 VanDerWaalsContact C-CD 3.45Å; G231-P233 VanDerWaalsContact O-CD 3.31Å; G231-P233 WeakPolarHBondContact O-CD 3.41Å; G231-D239 PolarHBondContact N-OD2 2.99Å; G231-Y270 PolarHBondContact O-OH 3.3Å; G231-Y270 VanDerWaalsContact O-OH 3.11Å
232	N	69.6	Low	86	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.011	21%	0.213	C	C	.	.			trans	12.9	66	177.6	-160.9	-4.4	0	0	0	116.5	L230 N234 H235 D236 G237 D239 Y270	L230-N232 PolarHBondContact O-N 3.3Å; N232-N234 VanDerWaalsContact C-N 3.26Å; N232-N234 PolarHBondContact O-N 3.18Å; N232-H235 VanDerWaalsContact CG-CA 3.48Å; N232-H235 PolarHBondContact O-N 3.31Å; N232-H235 PolarHBondContact O-ND1 3.48Å; N232-H235 WeakPolarHBondContact OD1-CA 3Å; N232-H235 PolarHBondContact OD1-N 3.38Å; N232-D236 PolarHBondContact ND2-O 2.89Å; N232-D236 PolarHBondContact OD1-N 3.09Å; N232-D236 PolarHBondContact OD1-O 3.11Å; N232-D236 VanDerWaalsContact OD1-O 3.12Å; N232-D236 PolarHBondContact OD1-OD1 3.3Å; N232-G237 PolarHBondContact ND2-O 3.29Å; N232-D239 HydrophobicContact CB-CB 4.45Å; N232-Y270 HydrophobicContact CB-CD2 4.04Å; N232-Y270 HydrophobicContact CB-CE2 3.73Å
233	P	61.4	Low	86	Confident	104 Å²	104	36.5 Å²	36.5	68%	0.675	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-22	-173.9	26.4	-33.3	0	0	0	113.3	G231	G231-P233 VanDerWaalsContact C-CD 3.45Å; G231-P233 VanDerWaalsContact O-CD 3.31Å; G231-P233 WeakPolarHBondContact O-CD 3.41Å
234	N	66.3	Low	86.2	Confident	127 Å²	127	36.5 Å²	36.5	68%	0.679	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	2.8	178	-56.8	-41.7	0	0	0	112.9	N232 D236	N232-N234 VanDerWaalsContact C-N 3.26Å; N232-N234 PolarHBondContact O-N 3.18Å; N234-D236 WeakPolarHBondContact CB-OD1 3.47Å; N234-D236 PolarHBondContact O-N 3.08Å
235	H	68.4	Low	86.5	Confident	123 Å²	123	35 Å²	35	57%	0.569	20%	0.204	S	C	*	.			trans	53	28.9	-171.8	-53.2	-54.3	0	0	0	114	N232 Y270	N232-H235 VanDerWaalsContact CG-CA 3.48Å; N232-H235 PolarHBondContact O-N 3.31Å; N232-H235 PolarHBondContact O-ND1 3.48Å; N232-H235 WeakPolarHBondContact OD1-CA 3Å; N232-H235 PolarHBondContact OD1-N 3.38Å; H235-Y270 AromaticContact CE1-CD1 3.23Å; H235-Y270 WeakPolarHBondContact CE1-CD1 3.07Å; H235-Y270 AromaticContact CE1-CE1 3.5Å; H235-Y270 VanDerWaalsContact CE1-CE1 3.5Å; H235-Y270 WeakPolarHBondContact CE1-CE1 3.35Å; H235-Y270 AromaticContact CE1-CG 3.72Å; H235-Y270 AromaticContact ND1-CD1 3.52Å; H235-Y270 AromaticContact ND1-CD2 3.94Å; H235-Y270 AromaticContact ND1-CE1 3.98Å; H235-Y270 AromaticContact ND1-CG 3.48Å
236	D	72.8	Confident	86.8	Confident	92 Å²	92	32.5 Å²	32.5	49%	0.492	19%	0.19	S	C	.	.			trans	-89.9	118.3	172.1	56.7	-20.7	0	0	0	110.7	T229 N232 N234	T229-D236 VanDerWaalsContact CG2-O 3.27Å; T229-D236 WeakPolarHBondContact CG2-O 3.42Å; T229-D236 PolarHBondContact OG1-O 3.3Å; N232-D236 PolarHBondContact ND2-O 2.89Å; N232-D236 PolarHBondContact OD1-N 3.09Å; N232-D236 PolarHBondContact OD1-O 3.11Å; N232-D236 VanDerWaalsContact OD1-O 3.12Å; N232-D236 PolarHBondContact OD1-OD1 3.3Å; N234-D236 WeakPolarHBondContact CB-OD1 3.47Å; N234-D236 PolarHBondContact O-N 3.08Å
237	G	84.6	Confident	87.1	Confident	24 Å²	24	32.5 Å²	32.5	25%	0.247	19%	0.19	C	C	.	.	S	Bend	trans	79.5	-166.9	-178.9	0	0	0	0	0	115.1	P227 N232	P227-G237 WeakPolarHBondContact O-CA 3.23Å; N232-G237 PolarHBondContact ND2-O 3.29Å
238	N	91.2	Very high	87.3	Confident	10 Å²	10	30.4 Å²	30.4	5%	0.053	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.4	-171.9	-56.5	-61.5	0	0	0	110.4	L206 E226 P227 W228 T229 L240	L206-N238 HydrophobicContact CD1-CB 4.24Å; L206-N238 HydrophobicContact CD2-CB 4.49Å; L206-N238 VanDerWaalsContact CD2-ND2 3.31Å; L206-N238 WeakPolarHBondContact CD2-ND2 3.38Å; E226-N238 PolarHBondContact OE2-ND2 2.67Å; P227-N238 PolarHBondContact O-N 3.35Å; W228-N238 WeakPolarHBondContact CA-O 3.29Å; W228-N238 HydrophobicContact CE3-CB 4.2Å; W228-N238 HydrophobicContact CZ3-CB 4.08Å; T229-N238 PolarHBondContact N-O 3.14Å; N238-L240 PolarHBondContact O-N 2.88Å
239	D	94	Very high	87.5	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	116	179.4	-173.6	-74.8	0	0	0	110.4	T229 L230 G231 N232 F241 L242 V243 Y268	T229-D239 WeakPolarHBondContact O-CA 3.32Å; L230-D239 WeakPolarHBondContact CA-OD2 3.24Å; G231-D239 PolarHBondContact N-OD2 2.99Å; N232-D239 HydrophobicContact CB-CB 4.45Å; D239-F241 VanDerWaalsContact C-N 3.29Å; D239-F241 PolarHBondContact O-N 3.06Å; D239-F241 WeakPolarHBondContact OD1-CA 3.41Å; D239-F241 VanDerWaalsContact OD1-CB 3.29Å; D239-F241 WeakPolarHBondContact OD1-CB 3.31Å; D239-F241 PolarHBondContact OD1-N 2.9Å; D239-L242 HydrophobicContact CB-CB 4.28Å; D239-L242 HydrophobicContact CB-CD1 3.98Å; D239-L242 HydrophobicContact CB-CG 4.08Å; D239-L242 PolarHBondContact O-N 2.99Å; D239-L242 PolarHBondContact OD1-N 2.89Å; D239-V243 PolarHBondContact O-N 3.03Å; D239-V243 VanDerWaalsContact O-N 3.14Å; D239-Y268 WeakPolarHBondContact CB-OH 3.41Å; D239-Y268 PolarHBondContact N-OH 3.43Å
240	L	95.8	Very high	87.5	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-34.8	-175.8	176.6	62.3	0	0	0	112.5	T140 T148 A151 F188 F222 W228 T229 L230 N238 A244	T140-L240 HydrophobicContact CG2-CD2 4.02Å; T148-L240 HydrophobicContact CG2-CD2 3.98Å; A151-L240 HydrophobicContact CB-CD2 4.45Å; F188-L240 HydrophobicContact CE1-CD1 3.8Å; F188-L240 HydrophobicContact CE1-CD2 4.31Å; F188-L240 HydrophobicContact CZ-CD1 3.89Å; F188-L240 HydrophobicContact CZ-CD2 4.08Å; F222-L240 HydrophobicContact CD1-CD1 3.8Å; F222-L240 HydrophobicContact CE1-CD1 3.86Å; F222-L240 HydrophobicContact CG-CD1 4.37Å; F222-L240 HydrophobicContact CZ-CD1 4.46Å; W228-L240 HydrophobicContact CD2-CD1 4.13Å; W228-L240 HydrophobicContact CE3-CB 3.88Å; W228-L240 HydrophobicContact CE3-CD1 3.83Å; W228-L240 HydrophobicContact CE3-CG 4.46Å; W228-L240 HydrophobicContact CZ3-CD1 4.06Å; T229-L240 PolarHBondContact O-N 2.9Å; L230-L240 HydrophobicContact CD2-CB 4.04Å; N238-L240 PolarHBondContact O-N 2.88Å; L240-A244 WeakPolarHBondContact O-CB 3.46Å; L240-A244 PolarHBondContact O-N 2.69Å
241	F	96.6	Very high	87.8	Confident	3 Å²	3	25.7 Å²	25.7	1%	0.013	15%	0.151	C	C	.	.	H	α-helix	trans	-66.5	-44.9	179.4	160.5	-103.6	0	0	0	110.8	A151 R154 A155 V158 L230 D239 A244 V245 T273 F276	A151-F241 HydrophobicContact CB-CB 4.25Å; R154-F241 HydrophobicContact CB-CD2 4.04Å; R154-F241 HydrophobicContact CB-CE2 4Å; R154-F241 HydrophobicContact CG-CD2 3.95Å; R154-F241 HydrophobicContact CG-CE2 3.54Å; R154-F241 HydrophobicContact CG-CZ 4.27Å; A155-F241 HydrophobicContact CB-CD2 4.21Å; A155-F241 HydrophobicContact CB-CE2 4.39Å; V158-F241 HydrophobicContact CG2-CE2 3.92Å; V158-F241 HydrophobicContact CG2-CZ 3.81Å; L230-F241 HydrophobicContact CD2-CB 4.29Å; D239-F241 VanDerWaalsContact C-N 3.29Å; D239-F241 PolarHBondContact O-N 3.06Å; D239-F241 WeakPolarHBondContact OD1-CA 3.41Å; D239-F241 VanDerWaalsContact OD1-CB 3.29Å; D239-F241 WeakPolarHBondContact OD1-CB 3.31Å; D239-F241 PolarHBondContact OD1-N 2.9Å; F241-A244 PolarHBondContact O-N 2.85Å; F241-V245 HydrophobicContact CD2-CG2 4.09Å; F241-V245 HydrophobicContact CE1-CG2 4.45Å; F241-V245 HydrophobicContact CE2-CG2 3.64Å; F241-V245 HydrophobicContact CZ-CG2 3.86Å; F241-V245 VanDerWaalsContact O-CG2 3.32Å; F241-V245 WeakPolarHBondContact O-CG2 3.46Å; F241-V245 PolarHBondContact O-N 3.34Å; F241-T273 HydrophobicContact CD1-CG2 3.99Å; F241-T273 HydrophobicContact CE1-CG2 4.47Å; F241-F276 HydrophobicContact CE1-CB 3.78Å; F241-F276 HydrophobicContact CE1-CD1 4.25Å; F241-F276 HydrophobicContact CE1-CD2 4.17Å; F241-F276 AromaticContact CE1-CG 3.8Å; F241-F276 HydrophobicContact CE1-CG 3.8Å; F241-F276 HydrophobicContact CZ-CB 3.97Å; F241-F276 AromaticContact CZ-CD1 3.97Å; F241-F276 HydrophobicContact CZ-CD1 3.97Å; F241-F276 AromaticContact CZ-CG 3.96Å; F241-F276 HydrophobicContact CZ-CG 3.96Å
242	L	95.3	Very high	88.7	Confident	3 Å²	3	24.4 Å²	24.4	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-63.8	-45.8	178.7	-64.8	179.9	0	0	0	112.3	D239 A244 V245 H246 Y268 Y270 M271 T273 F276	D239-L242 HydrophobicContact CB-CB 4.28Å; D239-L242 HydrophobicContact CB-CD1 3.98Å; D239-L242 HydrophobicContact CB-CG 4.08Å; D239-L242 PolarHBondContact O-N 2.99Å; D239-L242 PolarHBondContact OD1-N 2.89Å; L242-A244 VanDerWaalsContact C-N 3.33Å; L242-A244 PolarHBondContact O-N 3.3Å; L242-V245 PolarHBondContact O-N 3.49Å; L242-H246 PolarHBondContact O-N 3.44Å; L242-H246 VanDerWaalsContact O-N 3.13Å; L242-Y268 HydrophobicContact CB-CE2 4.4Å; L242-Y270 HydrophobicContact CD1-CD2 4.01Å; L242-Y270 HydrophobicContact CD1-CE2 4.41Å; L242-M271 HydrophobicContact CD1-CB 4.21Å; L242-M271 VanDerWaalsContact CD1-N 3.25Å; L242-M271 HydrophobicContact CD2-CB 3.96Å; L242-T273 HydrophobicContact CD1-CG2 4.24Å; L242-T273 HydrophobicContact CD2-CG2 4.1Å; L242-T273 HydrophobicContact CG-CG2 4.02Å; L242-F276 HydrophobicContact CD2-CD2 3.79Å; L242-F276 HydrophobicContact CD2-CE2 3.7Å
243	V	96.9	Very high	89.7	Confident	6 Å²	6	24.3 Å²	24.3	4%	0.036	14%	0.137	C	C	.	.	H	α-helix	trans	-64.1	-42	177.2	-179	0	0	0	0	110.2	L206 A207 F222 W228 D239 V245 H246 E247 Y268	L206-V243 HydrophobicContact CB-CG1 4.47Å; L206-V243 HydrophobicContact CD1-CG2 3.83Å; A207-V243 HydrophobicContact CB-CG1 3.66Å; F222-V243 HydrophobicContact CD1-CG1 4.19Å; F222-V243 HydrophobicContact CE1-CB 4.44Å; F222-V243 HydrophobicContact CE1-CG1 3.99Å; W228-V243 HydrophobicContact CH2-CB 4.15Å; W228-V243 HydrophobicContact CH2-CG1 3.92Å; W228-V243 HydrophobicContact CH2-CG2 4.24Å; W228-V243 HydrophobicContact CZ3-CB 3.85Å; W228-V243 HydrophobicContact CZ3-CG1 4.16Å; W228-V243 HydrophobicContact CZ3-CG2 3.78Å; D239-V243 PolarHBondContact O-N 3.03Å; D239-V243 VanDerWaalsContact O-N 3.14Å; V243-V245 VanDerWaalsContact C-N 3.34Å; V243-V245 PolarHBondContact O-N 2.57Å; V243-H246 WeakPolarHBondContact O-CB 3.36Å; V243-H246 PolarHBondContact O-N 2.9Å; V243-H246 VanDerWaalsContact O-N 3.15Å; V243-E247 HydrophobicContact CG1-CG 4.02Å; V243-E247 WeakPolarHBondContact O-CG 3.4Å; V243-E247 PolarHBondContact O-N 3.42Å; V243-Y268 HydrophobicContact CG2-CD2 3.75Å; V243-Y268 HydrophobicContact CG2-CE2 3.93Å
244	A	97.8	Very high	91.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.8	-39	176.1	0	0	0	0	0	113.1	I152 A155 F222 L240 F241 L242 H246 L248	I152-A244 HydrophobicContact CD1-CB 3.63Å; A155-A244 HydrophobicContact CB-CB 3.75Å; F222-A244 HydrophobicContact CE1-CB 4.06Å; F222-A244 HydrophobicContact CZ-CB 3.77Å; L240-A244 WeakPolarHBondContact O-CB 3.46Å; L240-A244 PolarHBondContact O-N 2.69Å; F241-A244 PolarHBondContact O-N 2.85Å; L242-A244 VanDerWaalsContact C-N 3.33Å; L242-A244 PolarHBondContact O-N 3.3Å; A244-H246 VanDerWaalsContact C-N 3.32Å; A244-H246 PolarHBondContact O-N 2.88Å; A244-L248 VanDerWaalsContact O-CB 3.24Å; A244-L248 WeakPolarHBondContact O-CB 3.5Å; A244-L248 WeakPolarHBondContact O-CG 3.5Å; A244-L248 PolarHBondContact O-N 3.5Å
245	V	98.1	Very high	92.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.2	-45.2	174.4	173.7	0	0	0	0	110.4	A155 V158 W159 F241 L242 V243 G249 I263 F276 L278	A155-V245 HydrophobicContact CB-CG2 3.72Å; V158-V245 HydrophobicContact CB-CG2 4.33Å; V158-V245 HydrophobicContact CG1-CG1 4.01Å; V158-V245 HydrophobicContact CG1-CG2 4.46Å; V158-V245 HydrophobicContact CG2-CG2 4.09Å; W159-V245 HydrophobicContact CZ2-CG1 4.1Å; W159-V245 VanDerWaalsContact CZ2-O 3.3Å; W159-V245 WeakPolarHBondContact CZ2-O 3.47Å; W159-V245 PolarHBondContact NE1-O 3.43Å; F241-V245 HydrophobicContact CD2-CG2 4.09Å; F241-V245 HydrophobicContact CE1-CG2 4.45Å; F241-V245 HydrophobicContact CE2-CG2 3.64Å; F241-V245 HydrophobicContact CZ-CG2 3.86Å; F241-V245 VanDerWaalsContact O-CG2 3.32Å; F241-V245 WeakPolarHBondContact O-CG2 3.46Å; F241-V245 PolarHBondContact O-N 3.34Å; L242-V245 PolarHBondContact O-N 3.49Å; V243-V245 VanDerWaalsContact C-N 3.34Å; V243-V245 PolarHBondContact O-N 2.57Å; V245-G249 PolarHBondContact O-N 3.27Å; V245-G249 VanDerWaalsContact O-N 3.14Å; V245-I263 HydrophobicContact CB-CG1 4.29Å; V245-I263 HydrophobicContact CG1-CG1 3.86Å; V245-I263 HydrophobicContact CG1-CG2 4.12Å; V245-F276 HydrophobicContact CG1-CE1 4.07Å; V245-F276 HydrophobicContact CG1-CZ 4.17Å; V245-L278 HydrophobicContact CG1-CD2 4.24Å
246	H	97.4	Very high	93.3	Very high	13 Å²	13	9.2 Å²	9.2	6%	0.06	5%	0.053	C	C	.	.	H	α-helix	trans	-59.9	-56	177.2	-178.1	106.9	0	0	0	111.9	C101 L242 V243 A244 L248 G249 H250 H256 I263 M264 A265	C101-H246 VanDerWaalsContact CB-NE2 3.32Å; C101-H246 WeakPolarHBondContact CB-NE2 3.39Å; L242-H246 PolarHBondContact O-N 3.44Å; L242-H246 VanDerWaalsContact O-N 3.13Å; V243-H246 WeakPolarHBondContact O-CB 3.36Å; V243-H246 PolarHBondContact O-N 2.9Å; V243-H246 VanDerWaalsContact O-N 3.15Å; A244-H246 VanDerWaalsContact C-N 3.32Å; A244-H246 PolarHBondContact O-N 2.88Å; H246-L248 VanDerWaalsContact C-N 3.32Å; H246-L248 PolarHBondContact O-N 2.85Å; H246-G249 WeakPolarHBondContact O-CA 3.46Å; H246-G249 PolarHBondContact O-N 2.89Å; H246-H250 AromaticContact CD2-CD2 3.88Å; H246-H250 AromaticContact CD2-NE2 3.79Å; H246-H250 AromaticContact NE2-CD2 3.82Å; H246-H250 AromaticContact NE2-NE2 3.23Å; H246-H250 PolarHBondContact NE2-NE2 3.15Å; H246-H250 PolarHBondContact O-N 2.56Å; H246-H256 AromaticContact CE1-CD2 3.61Å; H246-H256 AromaticContact CE1-NE2 3.67Å; H246-H256 AromaticContact NE2-CD2 3.5Å; H246-H256 AromaticContact NE2-NE2 3.25Å; H246-H256 PolarHBondContact NE2-NE2 3.42Å; H246-I263 HydrophobicContact CB-CG1 4.39Å; H246-I263 PolarHBondContact ND1-O 2.94Å; H246-M264 WeakPolarHBondContact O-CE 3.47Å; H246-A265 PolarHBondContact CE1-O 3.04Å; H246-A265 PolarHBondContact ND1-O 3.49Å
247	E	97.3	Very high	94	Very high	2 Å²	2	5 Å²	5	1%	0.009	3%	0.031	C	C	.	.	H	α-helix	trans	-64.9	-36.8	-175.6	-59.6	-50.8	144.6	0	0	112.2	C101 A207 H208 A209 T220 F222 V243 G249 H250 A251	C101-E247 PolarHBondContact SG-OE1 3.16Å; C101-E247 PolarHBondContact SG-OE2 2.93Å; C101-E247 VanDerWaalsContact SG-OE2 3.37Å; A207-E247 HydrophobicContact CB-CG 3.57Å; H208-E247 WeakPolarHBondContact CA-OE2 3.41Å; A209-E247 HydrophobicContact CB-CB 4.11Å; A209-E247 VanDerWaalsContact CB-O 3.26Å; A209-E247 WeakPolarHBondContact CB-O 3.06Å; A209-E247 PolarHBondContact N-OE2 3.34Å; A209-E247 VanDerWaalsContact N-OE2 3.13Å; T220-E247 HydrophobicContact CG2-CB 3.5Å; T220-E247 VanDerWaalsContact CG2-CB 3.5Å; T220-E247 HydrophobicContact CG2-CG 4.24Å; F222-E247 HydrophobicContact CE1-CG 4.43Å; V243-E247 HydrophobicContact CG1-CG 4.02Å; V243-E247 WeakPolarHBondContact O-CG 3.4Å; V243-E247 PolarHBondContact O-N 3.42Å; E247-G249 PolarHBondContact O-N 3.37Å; E247-H250 WeakPolarHBondContact O-CA 3.25Å; E247-H250 VanDerWaalsContact O-CB 3.32Å; E247-H250 WeakPolarHBondContact O-CB 3.31Å; E247-H250 PolarHBondContact O-N 3.09Å; E247-H250 IonicContact OE2-CD2 3.06Å; E247-A251 PolarHBondContact O-N 2.98Å
248	L	97.9	Very high	93.8	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-65.5	-27.3	173.1	-68.8	177.3	0	0	0	112.1	A155 F156 I184 A244 H246 H250 A251 L252	A155-L248 HydrophobicContact CB-CD1 3.8Å; F156-L248 HydrophobicContact CD1-CD1 3.83Å; F156-L248 HydrophobicContact CD1-CD2 4.42Å; F156-L248 HydrophobicContact CD2-CD1 3.94Å; F156-L248 HydrophobicContact CE1-CD1 3.86Å; F156-L248 HydrophobicContact CE1-CD2 3.62Å; F156-L248 HydrophobicContact CE1-CG 4.33Å; F156-L248 HydrophobicContact CE2-CD1 3.95Å; F156-L248 HydrophobicContact CE2-CD2 4.19Å; F156-L248 HydrophobicContact CG-CD1 3.89Å; F156-L248 HydrophobicContact CZ-CD1 3.92Å; F156-L248 HydrophobicContact CZ-CD2 3.48Å; F156-L248 VanDerWaalsContact CZ-CD2 3.48Å; F156-L248 HydrophobicContact CZ-CG 4.37Å; I184-L248 HydrophobicContact CG2-CD2 4.45Å; A244-L248 VanDerWaalsContact O-CB 3.24Å; A244-L248 WeakPolarHBondContact O-CB 3.5Å; A244-L248 WeakPolarHBondContact O-CG 3.5Å; A244-L248 PolarHBondContact O-N 3.5Å; H246-L248 VanDerWaalsContact C-N 3.32Å; H246-L248 PolarHBondContact O-N 2.85Å; L248-H250 VanDerWaalsContact C-N 3.31Å; L248-H250 PolarHBondContact O-N 3.12Å; L248-A251 HydrophobicContact CD2-CB 4.37Å; L248-A251 CarbonylContact O-C 3.59Å; L248-A251 PolarHBondContact O-N 2.91Å; L248-L252 WeakPolarHBondContact O-CB 3.08Å; L248-L252 WeakPolarHBondContact O-CG 3.25Å; L248-L252 PolarHBondContact O-N 2.86Å
249	G	96.6	Very high	93.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-60	-41.6	169.5	0	0	0	0	0	112.1	V245 H246 E247 L252 G253 L254	V245-G249 PolarHBondContact O-N 3.27Å; V245-G249 VanDerWaalsContact O-N 3.14Å; H246-G249 WeakPolarHBondContact O-CA 3.46Å; H246-G249 PolarHBondContact O-N 2.89Å; E247-G249 PolarHBondContact O-N 3.37Å; G249-L252 CarbonylContact O-C 3.58Å; G249-L252 PolarHBondContact O-N 2.88Å; G249-G253 PolarHBondContact O-N 3.13Å; G249-G253 VanDerWaalsContact O-N 3.09Å; G249-L254 WeakPolarHBondContact O-CB 3.43Å; G249-L254 PolarHBondContact O-N 2.83Å
250	H	93.9	Very high	92.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65	-46.8	170.6	-69.1	-42.4	0	0	0	112.1	A209 F211 H246 E247 L248 L252 G253 L254 H256 M264	A209-H250 HydrophobicContact CB-CB 3.97Å; F211-H250 HydrophobicContact CD1-CB 4.33Å; F211-H250 WeakPolarHBondContact CD1-O 3.29Å; F211-H250 HydrophobicContact CE1-CB 4.1Å; F211-H250 AromaticContact CE1-ND1 3.69Å; H246-H250 AromaticContact CD2-CD2 3.88Å; H246-H250 AromaticContact CD2-NE2 3.79Å; H246-H250 AromaticContact NE2-CD2 3.82Å; H246-H250 AromaticContact NE2-NE2 3.23Å; H246-H250 PolarHBondContact NE2-NE2 3.15Å; H246-H250 PolarHBondContact O-N 2.56Å; E247-H250 WeakPolarHBondContact O-CA 3.25Å; E247-H250 VanDerWaalsContact O-CB 3.32Å; E247-H250 WeakPolarHBondContact O-CB 3.31Å; E247-H250 PolarHBondContact O-N 3.09Å; E247-H250 IonicContact OE2-CD2 3.06Å; L248-H250 VanDerWaalsContact C-N 3.31Å; L248-H250 PolarHBondContact O-N 3.12Å; H250-L252 PolarHBondContact O-N 3.27Å; H250-G253 WeakPolarHBondContact O-CA 3.39Å; H250-G253 PolarHBondContact O-N 2.66Å; H250-L254 PolarHBondContact ND1-O 3.29Å; H250-H256 AromaticContact CE1-CD2 3.46Å; H250-H256 PolarHBondContact CE1-CD2 2.92Å; H250-H256 VanDerWaalsContact CE1-CD2 3.46Å; H250-H256 AromaticContact CE1-NE2 3.82Å; H250-H256 AromaticContact NE2-CD2 3.41Å; H250-H256 PolarHBondContact NE2-CD2 3.03Å; H250-H256 AromaticContact NE2-NE2 3.31Å; H250-H256 PolarHBondContact NE2-NE2 3.44Å; H250-M264 WeakPolarHBondContact CE1-CE 3.45Å; H250-M264 VanDerWaalsContact ND1-CE 3.34Å; H250-M264 WeakPolarHBondContact ND1-CE 3.46Å
251	A	95.4	Very high	92.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-19.9	175.5	0	0	0	0	0	113.2	W127 I184 A209 Y210 P212 G218 E247 L248	W127-A251 PolarHBondContact NE1-O 3.31Å; I184-A251 HydrophobicContact CD1-CB 4.05Å; A209-A251 HydrophobicContact CB-CB 4.39Å; Y210-A251 WeakPolarHBondContact O-CA 3.46Å; P212-A251 VanDerWaalsContact CG-O 3.3Å; P212-A251 WeakPolarHBondContact CG-O 3.5Å; G218-A251 VanDerWaalsContact O-CB 3.32Å; G218-A251 WeakPolarHBondContact O-CB 3.21Å; E247-A251 PolarHBondContact O-N 2.98Å; L248-A251 HydrophobicContact CD2-CB 4.37Å; L248-A251 CarbonylContact O-C 3.59Å; L248-A251 PolarHBondContact O-N 2.91Å
252	L	95.9	Very high	91.7	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-6.5	174.2	-65.7	175.8	0	0	0	114	I132 W159 L165 F167 P212 L248 G249 H250 I286 Y290	I132-L252 HydrophobicContact CD1-CD2 3.76Å; W159-L252 HydrophobicContact CB-CD1 3.6Å; W159-L252 HydrophobicContact CD2-CD1 3.95Å; W159-L252 HydrophobicContact CG-CD1 3.53Å; L165-L252 HydrophobicContact CD1-CD1 4.47Å; L165-L252 HydrophobicContact CD1-CD2 3.71Å; F167-L252 HydrophobicContact CE1-CD2 3.98Å; F167-L252 HydrophobicContact CZ-CD1 4.12Å; F167-L252 HydrophobicContact CZ-CD2 3.92Å; P212-L252 VanDerWaalsContact CG-C 3.47Å; L248-L252 WeakPolarHBondContact O-CB 3.08Å; L248-L252 WeakPolarHBondContact O-CG 3.25Å; L248-L252 PolarHBondContact O-N 2.86Å; G249-L252 CarbonylContact O-C 3.58Å; G249-L252 PolarHBondContact O-N 2.88Å; H250-L252 PolarHBondContact O-N 3.27Å; L252-I286 HydrophobicContact CB-CD1 3.8Å; L252-I286 HydrophobicContact CD1-CD1 4.18Å; L252-Y290 HydrophobicContact CB-CE2 4.16Å; L252-Y290 WeakPolarHBondContact O-CE2 3.46Å; L252-Y290 PolarHBondContact O-OH 3.47Å
253	G	89.4	Confident	91.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.2	9.2	169.9	0	0	0	0	0	116.2	T123 P212 G249 H250	T123-G253 WeakPolarHBondContact CG2-O 3.43Å; T123-G253 PolarHBondContact N-O 2.92Å; T123-G253 PolarHBondContact OG1-O 3.09Å; P212-G253 VanDerWaalsContact CD-CA 3.49Å; G249-G253 PolarHBondContact O-N 3.13Å; G249-G253 VanDerWaalsContact O-N 3.09Å; H250-G253 WeakPolarHBondContact O-CA 3.39Å; H250-G253 PolarHBondContact O-N 2.66Å
254	L	92	Very high	91.5	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.021	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-76.4	140.5	172.1	-61.2	173.9	0	0	0	110.9	A121 L122 W159 F211 G249 H250 M264 I286 I289	A121-L254 CarbonylContact O-C 3.58Å; A121-L254 WeakPolarHBondContact O-CA 3.45Å; L122-L254 HydrophobicContact CD2-CD2 4.12Å; W159-L254 HydrophobicContact CH2-CD1 3.38Å; W159-L254 HydrophobicContact CZ2-CD1 4.22Å; W159-L254 HydrophobicContact CZ3-CD1 3.69Å; F211-L254 VanDerWaalsContact CE1-O 3.32Å; F211-L254 WeakPolarHBondContact CE1-O 3.34Å; G249-L254 WeakPolarHBondContact O-CB 3.43Å; G249-L254 PolarHBondContact O-N 2.83Å; H250-L254 PolarHBondContact ND1-O 3.29Å; L254-M264 HydrophobicContact CB-CE 4.07Å; L254-M264 HydrophobicContact CB-CG 4.22Å; L254-M264 HydrophobicContact CB-SD 4.37Å; L254-M264 HydrophobicContact CD1-CG 3.9Å; L254-M264 HydrophobicContact CD1-SD 4.22Å; L254-I286 HydrophobicContact CD1-CB 4.26Å; L254-I286 HydrophobicContact CD1-CD1 4.12Å; L254-I286 HydrophobicContact CD2-CB 4.49Å; L254-I286 HydrophobicContact CD2-CD1 4.45Å; L254-I286 HydrophobicContact CG-CD1 4.12Å; L254-I289 HydrophobicContact CD2-CD1 3.84Å; L254-I289 HydrophobicContact CG-CD1 4.39Å
255	E	89.9	Confident	91.2	Very high	23 Å²	23	18 Å²	18	11%	0.107	10%	0.104	C	C	.	.			trans	-86.5	178.7	167	-68.6	-179	150.5	0	0	109.9	T107 K118 A121 T123	T107-E255 PolarHBondContact OG1-OE1 3.4Å; K118-E255 IonicContact NZ-OE2 2.69Å; K118-E255 PolarHBondContact NZ-OE2 3.43Å; A121-E255 HydrophobicContact CB-CB 3.69Å; A121-E255 WeakPolarHBondContact CB-O 3.42Å; A121-E255 PolarHBondContact O-N 3.22Å; T123-E255 HydrophobicContact CG2-CG 3.35Å
256	H	90.3	Very high	90.8	Very high	11 Å²	11	18.3 Å²	18.3	5%	0.051	11%	0.106	C	C	.	.			trans	-65	134.3	168.2	-76.7	156.3	0	0	0	112.7	F79 C101 V103 D105 A121 H246 H250 M264 P266	F79-H256 HydrophobicContact CE1-CB 4.47Å; F79-H256 HydrophobicContact CZ-CB 4.1Å; C101-H256 WeakPolarHBondContact CB-NE2 3.49Å; V103-H256 PolarHBondContact O-CE1 3.25Å; V103-H256 PolarHBondContact O-ND1 2.78Å; D105-H256 IonicContact OD1-CE1 2.67Å; D105-H256 PolarHBondContact OD1-CE1 3.02Å; D105-H256 IonicContact OD1-CG 3.66Å; D105-H256 IonicContact OD1-ND1 2.9Å; D105-H256 PolarHBondContact OD1-ND1 3.31Å; A121-H256 WeakPolarHBondContact CB-O 3.31Å; H246-H256 AromaticContact CE1-CD2 3.61Å; H246-H256 AromaticContact CE1-NE2 3.67Å; H246-H256 AromaticContact NE2-CD2 3.5Å; H246-H256 AromaticContact NE2-NE2 3.25Å; H246-H256 PolarHBondContact NE2-NE2 3.42Å; H250-H256 AromaticContact CE1-CD2 3.46Å; H250-H256 PolarHBondContact CE1-CD2 2.92Å; H250-H256 VanDerWaalsContact CE1-CD2 3.46Å; H250-H256 AromaticContact CE1-NE2 3.82Å; H250-H256 AromaticContact NE2-CD2 3.41Å; H250-H256 PolarHBondContact NE2-CD2 3.03Å; H250-H256 AromaticContact NE2-NE2 3.31Å; H250-H256 PolarHBondContact NE2-NE2 3.44Å; H256-M264 CarbonylContact C-O 3.51Å; H256-M264 WeakPolarHBondContact CA-O 3.31Å; H256-P266 HydrophobicContact CB-CG 3.77Å
257	S	87.3	Confident	90.4	Very high	4 Å²	4	18.6 Å²	18.6	3%	0.028	11%	0.107	C	C	.	.			trans	-82.7	149.5	170.9	-171.7	0	0	0	0	111.2	F79 D259 M264 P266 D281	F79-S257 WeakPolarHBondContact CE1-O 3.23Å; S257-D259 PolarHBondContact OG-N 3.41Å; S257-D259 VanDerWaalsContact OG-N 3.09Å; S257-M264 PolarHBondContact N-O 2.73Å; S257-P266 WeakPolarHBondContact O-CD 3.24Å; S257-D281 VanDerWaalsContact CB-OD2 3.24Å; S257-D281 WeakPolarHBondContact CB-OD2 3.3Å; S257-D281 PolarHBondContact OG-OD2 3.34Å
258	N	81.6	Confident	90	Very high	76 Å²	76	20.7 Å²	20.7	41%	0.406	12%	0.115	S	C	.	.	S	Bend	trans	-94.6	0.9	168.9	69.3	-22.8	0	0	0	112.6	F79 P260	F79-N258 HydrophobicContact CD1-CB 4.5Å; F79-N258 HydrophobicContact CD2-CB 4.28Å; F79-N258 HydrophobicContact CE1-CB 4.34Å; F79-N258 HydrophobicContact CE2-CB 4.13Å; F79-N258 HydrophobicContact CG-CB 4.48Å; F79-N258 HydrophobicContact CZ-CB 4.16Å; N258-P260 WeakPolarHBondContact O-CD 3.27Å
259	D	81.8	Confident	89.3	Confident	53 Å²	53	23.9 Å²	23.9	28%	0.283	13%	0.13	S	C	.	.			trans	-78.9	114.7	168.6	-174.3	-19.5	0	0	0	108.4	S257 T261 A262	S257-D259 PolarHBondContact OG-N 3.41Å; S257-D259 VanDerWaalsContact OG-N 3.09Å; D259-T261 VanDerWaalsContact CG-OG1 3.3Å; D259-T261 PolarHBondContact O-N 3.25Å; D259-T261 VanDerWaalsContact O-N 3.1Å; D259-T261 WeakPolarHBondContact OD1-CB 3.47Å; D259-T261 PolarHBondContact OD1-N 2.45Å; D259-T261 PolarHBondContact OD1-OG1 2.75Å; D259-T261 PolarHBondContact OD2-OG1 3.46Å; D259-A262 HydrophobicContact CB-CB 4.11Å; D259-A262 WeakPolarHBondContact O-CB 3.47Å; D259-A262 PolarHBondContact O-N 2.86Å; D259-A262 VanDerWaalsContact O-N 3.11Å
260	P	79.9	Confident	88.8	Confident	81 Å²	81	26.7 Å²	26.7	53%	0.526	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-13.5	-179.4	29.2	-36.1	0	0	0	112.7	N258 Q269	N258-P260 WeakPolarHBondContact O-CD 3.27Å; P260-Q269 VanDerWaalsContact O-CD 3.23Å; P260-Q269 PolarHBondContact O-NE2 3.23Å; P260-Q269 PolarHBondContact O-OE1 3.48Å
261	T	82.1	Confident	88.4	Confident	89 Å²	89	28.2 Å²	28.2	55%	0.546	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-7.5	177.6	69.6	0	0	0	0	113.6	D259 P279	D259-T261 VanDerWaalsContact CG-OG1 3.3Å; D259-T261 PolarHBondContact O-N 3.25Å; D259-T261 VanDerWaalsContact O-N 3.1Å; D259-T261 WeakPolarHBondContact OD1-CB 3.47Å; D259-T261 PolarHBondContact OD1-N 2.45Å; D259-T261 PolarHBondContact OD1-OG1 2.75Å; D259-T261 PolarHBondContact OD2-OG1 3.46Å; T261-P279 VanDerWaalsContact O-CG 3.29Å; T261-P279 WeakPolarHBondContact O-CG 3.46Å
262	A	90.1	Very high	87.9	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-73.3	148.9	177.4	0	0	0	0	0	111.5	D259 A265 Q269 D281 D282	D259-A262 HydrophobicContact CB-CB 4.11Å; D259-A262 WeakPolarHBondContact O-CB 3.47Å; D259-A262 PolarHBondContact O-N 2.86Å; D259-A262 VanDerWaalsContact O-N 3.11Å; A262-A265 VanDerWaalsContact O-CB 3.25Å; A262-A265 WeakPolarHBondContact O-CB 3.39Å; A262-A265 PolarHBondContact O-N 3.05Å; A262-Q269 PolarHBondContact O-NE2 3.43Å; A262-D281 HydrophobicContact CB-CB 4.27Å; A262-D282 WeakPolarHBondContact CA-OD2 3.34Å
263	I	93.2	Very high	87.5	Confident	10 Å²	10	34.1 Å²	34.1	5%	0.051	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-32.2	170.7	-167.7	60.9	0	0	0	110	W159 V245 H246 A265 M271 F276 L278 D282	W159-I263 HydrophobicContact CH2-CG2 4.46Å; W159-I263 HydrophobicContact CZ2-CG2 4.48Å; V245-I263 HydrophobicContact CB-CG1 4.29Å; V245-I263 HydrophobicContact CG1-CG1 3.86Å; V245-I263 HydrophobicContact CG1-CG2 4.12Å; H246-I263 HydrophobicContact CB-CG1 4.39Å; H246-I263 PolarHBondContact ND1-O 2.94Å; I263-A265 PolarHBondContact O-N 3.41Å; I263-M271 HydrophobicContact CB-CE 4.29Å; I263-M271 HydrophobicContact CD1-CE 3.95Å; I263-M271 HydrophobicContact CD1-SD 3.96Å; I263-F276 HydrophobicContact CB-CZ 4.28Å; I263-F276 HydrophobicContact CD1-CE2 4.34Å; I263-F276 HydrophobicContact CD1-CZ 4.27Å; I263-F276 HydrophobicContact CG1-CZ 4.14Å; I263-L278 HydrophobicContact CG2-CD2 3.79Å; I263-D282 HydrophobicContact CG2-CB 4.11Å; I263-D282 PolarHBondContact N-OD2 2.93Å
264	M	94.4	Very high	87.2	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	10	174	-62.3	-52.5	-56.5	0	0	114	W159 H246 H250 L254 H256 S257 D282	W159-M264 HydrophobicContact CH2-SD 4.48Å; W159-M264 HydrophobicContact CZ2-SD 4.33Å; H246-M264 WeakPolarHBondContact O-CE 3.47Å; H250-M264 WeakPolarHBondContact CE1-CE 3.45Å; H250-M264 VanDerWaalsContact ND1-CE 3.34Å; H250-M264 WeakPolarHBondContact ND1-CE 3.46Å; L254-M264 HydrophobicContact CB-CE 4.07Å; L254-M264 HydrophobicContact CB-CG 4.22Å; L254-M264 HydrophobicContact CB-SD 4.37Å; L254-M264 HydrophobicContact CD1-CG 3.9Å; L254-M264 HydrophobicContact CD1-SD 4.22Å; H256-M264 CarbonylContact C-O 3.51Å; H256-M264 WeakPolarHBondContact CA-O 3.31Å; S257-M264 PolarHBondContact N-O 2.73Å; M264-D282 VanDerWaalsContact CB-OD1 3.25Å; M264-D282 WeakPolarHBondContact CB-OD1 3.48Å; M264-D282 WeakPolarHBondContact CG-OD1 3.32Å; M264-D282 PolarHBondContact N-OD1 2.91Å
265	A	90.3	Very high	86.8	Confident	9 Å²	9	46.6 Å²	46.6	7%	0.074	24%	0.243	C	C	.	.			trans	-65.8	139.4	169.3	0	0	0	0	0	110	H246 A262 I263 F267	H246-A265 PolarHBondContact CE1-O 3.04Å; H246-A265 PolarHBondContact ND1-O 3.49Å; A262-A265 VanDerWaalsContact O-CB 3.25Å; A262-A265 WeakPolarHBondContact O-CB 3.39Å; A262-A265 PolarHBondContact O-N 3.05Å; I263-A265 PolarHBondContact O-N 3.41Å; A265-F267 PolarHBondContact O-N 2.65Å
266	P	89.9	Confident	86.9	Confident	6 Å²	6	46.8 Å²	46.8	4%	0.039	24%	0.244	C	C	.	.	S	Bend	trans	-65.2	-36.8	-170.2	-26.3	35.3	0	0	0	114.8	F79 Y80 R100 C101 D105 H256 S257	F79-P266 HydrophobicContact CE1-CG 3.73Å; Y80-P266 HydrophobicContact CE1-CB 4.25Å; Y80-P266 HydrophobicContact CE1-CG 3.95Å; R100-P266 CarbonylContact C-O 3.58Å; R100-P266 WeakPolarHBondContact CA-O 3.39Å; R100-P266 WeakPolarHBondContact CB-O 3.18Å; C101-P266 PolarHBondContact N-O 3.21Å; D105-P266 WeakPolarHBondContact OD1-CG 3.12Å; H256-P266 HydrophobicContact CB-CG 3.77Å; S257-P266 WeakPolarHBondContact O-CD 3.24Å
267	F	88.8	Confident	86.8	Confident	19 Å²	19	54.7 Å²	54.7	8%	0.083	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-81.5	137.3	-178.6	-69.1	-71.6	0	0	0	110.5	W46 Y80 W95 K98 R100 A265 Q269	W46-F267 HydrophobicContact CH2-CZ 4.49Å; W46-F267 HydrophobicContact CZ2-CZ 4.24Å; Y80-F267 AromaticContact CD1-CD2 3.96Å; Y80-F267 HydrophobicContact CD1-CD2 3.96Å; Y80-F267 AromaticContact CD1-CE2 3.5Å; Y80-F267 HydrophobicContact CD1-CE2 3.5Å; Y80-F267 AromaticContact CD2-CE2 3.59Å; Y80-F267 HydrophobicContact CD2-CE2 3.59Å; Y80-F267 HydrophobicContact CD2-CZ 4.17Å; Y80-F267 HydrophobicContact CE1-CD2 4.18Å; Y80-F267 AromaticContact CE1-CE2 3.58Å; Y80-F267 HydrophobicContact CE1-CE2 3.58Å; Y80-F267 HydrophobicContact CE1-CZ 4.33Å; Y80-F267 AromaticContact CE2-CE2 3.56Å; Y80-F267 HydrophobicContact CE2-CE2 3.56Å; Y80-F267 AromaticContact CE2-CZ 3.8Å; Y80-F267 HydrophobicContact CE2-CZ 3.8Å; Y80-F267 HydrophobicContact CG-CD2 4.27Å; Y80-F267 AromaticContact CG-CE2 3.55Å; Y80-F267 HydrophobicContact CG-CE2 3.55Å; Y80-F267 AromaticContact CZ-CE2 3.6Å; Y80-F267 AromaticContact CZ-CZ 3.94Å; W95-F267 AromaticContact CE3-CD2 3.91Å; W95-F267 HydrophobicContact CE3-CD2 3.91Å; W95-F267 AromaticContact CE3-CE2 3.93Å; W95-F267 HydrophobicContact CE3-CE2 3.93Å; W95-F267 HydrophobicContact CE3-CG 4.33Å; W95-F267 HydrophobicContact CE3-CZ 4.41Å; W95-F267 AromaticContact CZ3-CD2 3.99Å; W95-F267 HydrophobicContact CZ3-CD2 3.99Å; W95-F267 HydrophobicContact CZ3-CE2 4.42Å; W95-F267 HydrophobicContact CZ3-CG 4.37Å; W95-F267 WeakPolarHBondContact O-CE1 3.24Å; W95-F267 WeakPolarHBondContact O-CZ 3.45Å; K98-F267 HydrophobicContact CB-CD1 3.73Å; K98-F267 HydrophobicContact CB-CE1 4.13Å; R100-F267 HydrophobicContact CB-CD1 3.75Å; R100-F267 HydrophobicContact CB-CE1 4.18Å; R100-F267 HydrophobicContact CB-CG 4.46Å; R100-F267 HydrophobicContact CG-CD1 4.47Å; R100-F267 HydrophobicContact CG-CE1 4.44Å; A265-F267 PolarHBondContact O-N 2.65Å; F267-Q269 PolarHBondContact O-N 2.75Å
268	Y	88.5	Confident	87.1	Confident	46 Å²	46	55.6 Å²	55.6	18%	0.18	28%	0.282	C	S	.	.			trans	-61.7	130.4	173.5	174.5	-99.3	0	0	0	110	P99 L206 D239 L242 V243	P99-Y268 HydrophobicContact CG-CD1 4.23Å; P99-Y268 WeakPolarHBondContact O-CB 3.19Å; P99-Y268 PolarHBondContact O-N 3.07Å; L206-Y268 HydrophobicContact CD1-CD2 3.93Å; L206-Y268 HydrophobicContact CD1-CG 3.86Å; D239-Y268 WeakPolarHBondContact CB-OH 3.41Å; D239-Y268 PolarHBondContact N-OH 3.43Å; L242-Y268 HydrophobicContact CB-CE2 4.4Å; V243-Y268 HydrophobicContact CG2-CD2 3.75Å; V243-Y268 HydrophobicContact CG2-CE2 3.93Å
269	Q	83.8	Confident	87.5	Confident	68 Å²	68	53.1 Å²	53.1	32%	0.318	27%	0.27	S	S	.	.			trans	-137.5	134.8	173.3	58.4	-177.6	-7	0	0	108.6	P260 A262 F267 M271	P260-Q269 VanDerWaalsContact O-CD 3.23Å; P260-Q269 PolarHBondContact O-NE2 3.23Å; P260-Q269 PolarHBondContact O-OE1 3.48Å; A262-Q269 PolarHBondContact O-NE2 3.43Å; F267-Q269 PolarHBondContact O-N 2.75Å; Q269-M271 HydrophobicContact CG-CE 3.89Å; Q269-M271 PolarHBondContact O-N 2.87Å
270	Y	85.8	Confident	87.8	Confident	59 Å²	59	55.7 Å²	55.7	23%	0.231	28%	0.284	C	S	.	.			trans	-69.7	134.8	173.8	-177.8	-94.7	0	0	0	109.9	G231 N232 H235 L242 T273	G231-Y270 PolarHBondContact O-OH 3.3Å; G231-Y270 VanDerWaalsContact O-OH 3.11Å; N232-Y270 HydrophobicContact CB-CD2 4.04Å; N232-Y270 HydrophobicContact CB-CE2 3.73Å; H235-Y270 AromaticContact CE1-CD1 3.23Å; H235-Y270 WeakPolarHBondContact CE1-CD1 3.07Å; H235-Y270 AromaticContact CE1-CE1 3.5Å; H235-Y270 VanDerWaalsContact CE1-CE1 3.5Å; H235-Y270 WeakPolarHBondContact CE1-CE1 3.35Å; H235-Y270 AromaticContact CE1-CG 3.72Å; H235-Y270 AromaticContact ND1-CD1 3.52Å; H235-Y270 AromaticContact ND1-CD2 3.94Å; H235-Y270 AromaticContact ND1-CE1 3.98Å; H235-Y270 AromaticContact ND1-CG 3.48Å; L242-Y270 HydrophobicContact CD1-CD2 4.01Å; L242-Y270 HydrophobicContact CD1-CE2 4.41Å; Y270-T273 HydrophobicContact CE2-CG2 4.28Å
271	M	86.5	Confident	88.2	Confident	32 Å²	32	53 Å²	53	16%	0.158	27%	0.265	C	S	.	.			trans	-126.1	148	170.9	-58.8	-169.5	-176.5	0	0	108.5	L242 I263 Q269 T273 F276 P279	L242-M271 HydrophobicContact CD1-CB 4.21Å; L242-M271 VanDerWaalsContact CD1-N 3.25Å; L242-M271 HydrophobicContact CD2-CB 3.96Å; I263-M271 HydrophobicContact CB-CE 4.29Å; I263-M271 HydrophobicContact CD1-CE 3.95Å; I263-M271 HydrophobicContact CD1-SD 3.96Å; Q269-M271 HydrophobicContact CG-CE 3.89Å; Q269-M271 PolarHBondContact O-N 2.87Å; M271-T273 WeakPolarHBondContact O-CG2 3.38Å; M271-T273 PolarHBondContact O-N 3.12Å; M271-T273 VanDerWaalsContact O-N 3.11Å; M271-F276 HydrophobicContact CB-CD2 4.28Å; M271-F276 HydrophobicContact CB-CE2 4.11Å; M271-F276 HydrophobicContact SD-CE2 3.67Å; M271-F276 HydrophobicContact SD-CZ 4.37Å; M271-P279 HydrophobicContact CE-CG 4.45Å
272	E	84.7	Confident	88.8	Confident	120 Å²	120	48.9 Å²	48.9	56%	0.561	24%	0.24	S	C	*	.			trans	-57.8	118.8	177.4	-171.1	59.6	-111	0	0	110.4
273	T	87.9	Confident	88.9	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.031	25%	0.251	C	S	.	.			trans	-86.3	-34.9	-170.3	67.4	0	0	0	0	111.9	R154 F241 L242 Y270 M271 N275 F276	R154-T273 VanDerWaalsContact CZ-O 3.3Å; R154-T273 PolarHBondContact NH1-O 3.11Å; R154-T273 PolarHBondContact NH2-O 3.14Å; F241-T273 HydrophobicContact CD1-CG2 3.99Å; F241-T273 HydrophobicContact CE1-CG2 4.47Å; L242-T273 HydrophobicContact CD1-CG2 4.24Å; L242-T273 HydrophobicContact CD2-CG2 4.1Å; L242-T273 HydrophobicContact CG-CG2 4.02Å; Y270-T273 HydrophobicContact CE2-CG2 4.28Å; M271-T273 WeakPolarHBondContact O-CG2 3.38Å; M271-T273 PolarHBondContact O-N 3.12Å; M271-T273 VanDerWaalsContact O-N 3.11Å; T273-N275 VanDerWaalsContact C-N 3.35Å; T273-N275 PolarHBondContact O-N 3.13Å; T273-F276 WeakPolarHBondContact O-CB 3.2Å; T273-F276 PolarHBondContact O-N 3.04Å
274	D	82.8	Confident	88.8	Confident	121 Å²	121	53.7 Å²	53.7	65%	0.647	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-46.7	-170.9	-80.1	-15.8	0	0	0	113.8	R154	R154-D274 PolarHBondContact NH2-O 2.86Å; R154-D274 VanDerWaalsContact NH2-O 3.16Å
275	N	83.9	Confident	88.7	Confident	144 Å²	144	53.7 Å²	53.7	77%	0.77	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	40.3	178.8	-72.4	-43.5	0	0	0	112	T273 K277	T273-N275 VanDerWaalsContact C-N 3.35Å; T273-N275 PolarHBondContact O-N 3.13Å; N275-K277 PolarHBondContact O-N 3.39Å
276	F	90.8	Very high	89	Confident	28 Å²	28	53.2 Å²	53.2	12%	0.123	26%	0.26	C	S	.	.			trans	-52.6	129.6	-178.2	-176.1	-90.5	0	0	0	112	V158 F241 L242 V245 I263 M271 T273 L278	V158-F276 HydrophobicContact CG1-CD1 4.15Å; V158-F276 HydrophobicContact CG1-CE1 3.79Å; V158-F276 HydrophobicContact CG2-CD1 3.91Å; V158-F276 HydrophobicContact CG2-CE1 4.28Å; F241-F276 HydrophobicContact CE1-CB 3.78Å; F241-F276 HydrophobicContact CE1-CD1 4.25Å; F241-F276 HydrophobicContact CE1-CD2 4.17Å; F241-F276 AromaticContact CE1-CG 3.8Å; F241-F276 HydrophobicContact CE1-CG 3.8Å; F241-F276 HydrophobicContact CZ-CB 3.97Å; F241-F276 AromaticContact CZ-CD1 3.97Å; F241-F276 HydrophobicContact CZ-CD1 3.97Å; F241-F276 AromaticContact CZ-CG 3.96Å; F241-F276 HydrophobicContact CZ-CG 3.96Å; L242-F276 HydrophobicContact CD2-CD2 3.79Å; L242-F276 HydrophobicContact CD2-CE2 3.7Å; V245-F276 HydrophobicContact CG1-CE1 4.07Å; V245-F276 HydrophobicContact CG1-CZ 4.17Å; I263-F276 HydrophobicContact CB-CZ 4.28Å; I263-F276 HydrophobicContact CD1-CE2 4.34Å; I263-F276 HydrophobicContact CD1-CZ 4.27Å; I263-F276 HydrophobicContact CG1-CZ 4.14Å; M271-F276 HydrophobicContact CB-CD2 4.28Å; M271-F276 HydrophobicContact CB-CE2 4.11Å; M271-F276 HydrophobicContact SD-CE2 3.67Å; M271-F276 HydrophobicContact SD-CZ 4.37Å; T273-F276 WeakPolarHBondContact O-CB 3.2Å; T273-F276 PolarHBondContact O-N 3.04Å; F276-L278 HydrophobicContact CE1-CD2 4.25Å; F276-L278 HydrophobicContact CE1-CG 4.45Å
277	K	88.7	Confident	89.2	Confident	177 Å²	177	55.8 Å²	55.8	77%	0.77	27%	0.272	S	S	*	.			trans	-127.7	140	172.3	-69.2	-176.4	-179.5	-179.6	0	108.6	N275 P279	N275-K277 PolarHBondContact O-N 3.39Å; K277-P279 WeakPolarHBondContact O-CD 3.45Å
278	L	92.8	Very high	89.4	Confident	22 Å²	22	62 Å²	62	12%	0.115	30%	0.299	C	S	.	.			trans	-58.6	128.5	174.4	-79.1	166.8	0	0	0	110.1	V158 W159 V162 V245 I263 F276 D282	V158-L278 HydrophobicContact CG1-CD1 3.72Å; V158-L278 HydrophobicContact CG1-CD2 3.72Å; V158-L278 HydrophobicContact CG1-CG 3.45Å; V158-L278 VanDerWaalsContact CG1-CG 3.45Å; W159-L278 HydrophobicContact CD2-CD1 4.43Å; W159-L278 HydrophobicContact CE3-CD1 3.73Å; W159-L278 HydrophobicContact CE3-CD2 4.36Å; W159-L278 HydrophobicContact CH2-CD1 4.47Å; W159-L278 HydrophobicContact CH2-CD2 3.73Å; W159-L278 HydrophobicContact CZ2-CD2 4.12Å; W159-L278 HydrophobicContact CZ3-CD1 3.75Å; W159-L278 HydrophobicContact CZ3-CD2 3.85Å; W159-L278 HydrophobicContact CZ3-CG 4.47Å; V162-L278 HydrophobicContact CB-CD1 4.5Å; V162-L278 HydrophobicContact CG1-CD1 4.26Å; V162-L278 HydrophobicContact CG2-CD1 3.52Å; V245-L278 HydrophobicContact CG1-CD2 4.24Å; I263-L278 HydrophobicContact CG2-CD2 3.79Å; F276-L278 HydrophobicContact CE1-CD2 4.25Å; F276-L278 HydrophobicContact CE1-CG 4.45Å; L278-D282 HydrophobicContact CD2-CB 4.08Å
279	P	91.5	Very high	89.6	Confident	25 Å²	25	61 Å²	61	16%	0.162	30%	0.296	C	S	.	.			trans	-56.1	155	168.1	-22.9	32.7	0	0	0	111.4	T261 M271 K277 D281 D282 L283	T261-P279 VanDerWaalsContact O-CG 3.29Å; T261-P279 WeakPolarHBondContact O-CG 3.46Å; M271-P279 HydrophobicContact CE-CG 4.45Å; K277-P279 WeakPolarHBondContact O-CD 3.45Å; P279-D281 VanDerWaalsContact C-N 3.26Å; P279-D281 PolarHBondContact O-N 2.9Å; P279-D282 VanDerWaalsContact CB-OD2 3.29Å; P279-D282 WeakPolarHBondContact CB-OD2 3.46Å; P279-D282 VanDerWaalsContact CD-OD2 3.28Å; P279-D282 WeakPolarHBondContact CD-OD2 3.29Å; P279-D282 WeakPolarHBondContact CG-OD2 3.42Å; P279-D282 PolarHBondContact O-N 3.03Å; P279-L283 PolarHBondContact O-N 3.06Å
280	N	88.3	Confident	90.1	Very high	107 Å²	107	59.2 Å²	59.2	57%	0.572	29%	0.287	S	S	*	.	H	α-helix	trans	-65.3	-28.9	-170.1	-175.4	54.3	0	0	0	113.1	Q284	N280-Q284 VanDerWaalsContact CG-NE2 3.29Å; N280-Q284 PolarHBondContact ND2-NE2 3.1Å; N280-Q284 WeakPolarHBondContact O-CB 3.33Å; N280-Q284 VanDerWaalsContact O-CG 3.31Å; N280-Q284 WeakPolarHBondContact O-CG 3.41Å; N280-Q284 PolarHBondContact O-N 3.41Å; N280-Q284 PolarHBondContact O-NE2 2.75Å; N280-Q284 PolarHBondContact OD1-NE2 2.99Å
281	D	88.3	Confident	90.5	Very high	23 Å²	23	57.4 Å²	57.4	12%	0.123	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-49.2	175.1	-172.4	58.4	0	0	0	111.2	S257 A262 P279 Q284 G285	S257-D281 VanDerWaalsContact CB-OD2 3.24Å; S257-D281 WeakPolarHBondContact CB-OD2 3.3Å; S257-D281 PolarHBondContact OG-OD2 3.34Å; A262-D281 HydrophobicContact CB-CB 4.27Å; P279-D281 VanDerWaalsContact C-N 3.26Å; P279-D281 PolarHBondContact O-N 2.9Å; D281-Q284 PolarHBondContact O-N 3.35Å; D281-G285 PolarHBondContact O-N 3.09Å
282	D	93.1	Very high	90.8	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-65.3	-42.5	179.8	-50.2	-68.8	0	0	0	111.8	W159 A262 I263 M264 L278 P279 Q284 G285 I286	W159-D282 HydrophobicContact CH2-CB 4.28Å; A262-D282 WeakPolarHBondContact CA-OD2 3.34Å; I263-D282 HydrophobicContact CG2-CB 4.11Å; I263-D282 PolarHBondContact N-OD2 2.93Å; M264-D282 VanDerWaalsContact CB-OD1 3.25Å; M264-D282 WeakPolarHBondContact CB-OD1 3.48Å; M264-D282 WeakPolarHBondContact CG-OD1 3.32Å; M264-D282 PolarHBondContact N-OD1 2.91Å; L278-D282 HydrophobicContact CD2-CB 4.08Å; P279-D282 VanDerWaalsContact CB-OD2 3.29Å; P279-D282 WeakPolarHBondContact CB-OD2 3.46Å; P279-D282 VanDerWaalsContact CD-OD2 3.28Å; P279-D282 WeakPolarHBondContact CD-OD2 3.29Å; P279-D282 WeakPolarHBondContact CG-OD2 3.42Å; P279-D282 PolarHBondContact O-N 3.03Å; D282-Q284 PolarHBondContact O-N 2.93Å; D282-G285 PolarHBondContact O-N 2.96Å; D282-I286 WeakPolarHBondContact O-CG2 3.31Å; D282-I286 PolarHBondContact O-N 3.31Å
283	L	93.8	Very high	91	Very high	46 Å²	46	56.2 Å²	56.2	24%	0.241	29%	0.291	C	S	.	.	H	α-helix	trans	-57.5	-48.9	176.4	178.3	65.2	0	0	0	111.5	V162 P279 I286 Q287	V162-L283 HydrophobicContact CB-CD1 3.56Å; V162-L283 HydrophobicContact CG1-CD1 3.7Å; V162-L283 HydrophobicContact CG2-CD1 4.06Å; P279-L283 PolarHBondContact O-N 3.06Å; L283-I286 WeakPolarHBondContact O-CG2 3.29Å; L283-Q287 HydrophobicContact CD1-CG 4.42Å; L283-Q287 WeakPolarHBondContact O-CB 3.24Å; L283-Q287 VanDerWaalsContact O-CG 3.25Å; L283-Q287 WeakPolarHBondContact O-CG 3.3Å; L283-Q287 PolarHBondContact O-N 3.18Å; L283-Q287 VanDerWaalsContact O-N 3.12Å
284	Q	91.4	Very high	90.7	Very high	64 Å²	64	61.8 Å²	61.8	30%	0.299	32%	0.321	S	S	.	.	H	α-helix	trans	-69.6	-37.5	179	-72.6	171.9	86.8	0	0	111.6	Y120 N280 D281 D282 K288	Y120-Q284 HydrophobicContact CD1-CB 3.76Å; Y120-Q284 HydrophobicContact CE1-CB 3.19Å; Y120-Q284 HydrophobicContact CE1-CG 4.01Å; Y120-Q284 PolarHBondContact OH-OE1 2.84Å; N280-Q284 VanDerWaalsContact CG-NE2 3.29Å; N280-Q284 PolarHBondContact ND2-NE2 3.1Å; N280-Q284 WeakPolarHBondContact O-CB 3.33Å; N280-Q284 VanDerWaalsContact O-CG 3.31Å; N280-Q284 WeakPolarHBondContact O-CG 3.41Å; N280-Q284 PolarHBondContact O-N 3.41Å; N280-Q284 PolarHBondContact O-NE2 2.75Å; N280-Q284 PolarHBondContact OD1-NE2 2.99Å; D281-Q284 PolarHBondContact O-N 3.35Å; D282-Q284 PolarHBondContact O-N 2.93Å; Q284-K288 VanDerWaalsContact O-CB 3.29Å; Q284-K288 WeakPolarHBondContact O-CB 3.35Å; Q284-K288 PolarHBondContact O-N 3.42Å
285	G	92.1	Very high	89.7	Confident	2 Å²	2	65.1 Å²	65.1	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-57.7	-53.2	175.7	0	0	0	0	0	111.7	D281 D282 Q287 K288 I289	D281-G285 PolarHBondContact O-N 3.09Å; D282-G285 PolarHBondContact O-N 2.96Å; G285-Q287 PolarHBondContact O-N 3.43Å; G285-K288 VanDerWaalsContact O-CB 3.31Å; G285-K288 WeakPolarHBondContact O-CB 3.44Å; G285-K288 PolarHBondContact O-N 3.42Å; G285-K288 VanDerWaalsContact O-N 3.16Å; G285-I289 PolarHBondContact O-N 2.78Å
286	I	95.4	Very high	88	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-69.4	-38.7	-176.5	-162.4	68.8	0	0	0	112.1	W159 V162 T163 L252 L254 D282 L283 K288 I289 Y290	W159-I286 HydrophobicContact CE3-CB 4.01Å; W159-I286 HydrophobicContact CE3-CD1 4.22Å; W159-I286 HydrophobicContact CE3-CG1 3.79Å; W159-I286 HydrophobicContact CE3-CG2 4.02Å; W159-I286 HydrophobicContact CZ3-CB 3.75Å; W159-I286 HydrophobicContact CZ3-CD1 4.35Å; W159-I286 HydrophobicContact CZ3-CG1 4.01Å; W159-I286 HydrophobicContact CZ3-CG2 3.88Å; V162-I286 HydrophobicContact CG2-CG2 3.9Å; T163-I286 HydrophobicContact CG2-CB 4.35Å; T163-I286 HydrophobicContact CG2-CG1 3.5Å; T163-I286 HydrophobicContact CG2-CG2 3.98Å; L252-I286 HydrophobicContact CB-CD1 3.8Å; L252-I286 HydrophobicContact CD1-CD1 4.18Å; L254-I286 HydrophobicContact CD1-CB 4.26Å; L254-I286 HydrophobicContact CD1-CD1 4.12Å; L254-I286 HydrophobicContact CD2-CB 4.49Å; L254-I286 HydrophobicContact CD2-CD1 4.45Å; L254-I286 HydrophobicContact CG-CD1 4.12Å; D282-I286 WeakPolarHBondContact O-CG2 3.31Å; D282-I286 PolarHBondContact O-N 3.31Å; L283-I286 WeakPolarHBondContact O-CG2 3.29Å; I286-K288 PolarHBondContact O-N 3.29Å; I286-I289 PolarHBondContact O-N 3.03Å; I286-Y290 HydrophobicContact CD1-CD2 3.72Å; I286-Y290 HydrophobicContact CD1-CE2 3.73Å; I286-Y290 HydrophobicContact CG1-CD2 4.04Å; I286-Y290 PolarHBondContact O-N 2.78Å
287	Q	94.7	Very high	85.7	Confident	60 Å²	60	69.1 Å²	69.1	28%	0.28	36%	0.356	S	S	.	.	H	α-helix	trans	-69	-22.8	175.5	-70.9	-176.7	-11.5	0	0	112.3	V162 L283 G285 I289 G291	V162-Q287 WeakPolarHBondContact O-CG 3.44Å; V162-Q287 PolarHBondContact O-NE2 2.98Å; L283-Q287 HydrophobicContact CD1-CG 4.42Å; L283-Q287 WeakPolarHBondContact O-CB 3.24Å; L283-Q287 VanDerWaalsContact O-CG 3.25Å; L283-Q287 WeakPolarHBondContact O-CG 3.3Å; L283-Q287 PolarHBondContact O-N 3.18Å; L283-Q287 VanDerWaalsContact O-N 3.12Å; G285-Q287 PolarHBondContact O-N 3.43Å; Q287-I289 VanDerWaalsContact C-N 3.27Å; Q287-I289 PolarHBondContact O-N 3.17Å; Q287-G291 WeakPolarHBondContact O-CA 3.26Å; Q287-G291 PolarHBondContact O-N 3.01Å
288	K	92.6	Very high	83.4	Confident	149 Å²	149	66.3 Å²	66.3	65%	0.648	36%	0.356	S	S	*	.	H	α-helix	trans	-68.3	-29.2	170.9	-168.8	62.2	176.6	-179.3	0	112.1	L122 Q284 G285 I286	L122-K288 HydrophobicContact CD1-CB 4.27Å; L122-K288 HydrophobicContact CD1-CG 3.75Å; Q284-K288 VanDerWaalsContact O-CB 3.29Å; Q284-K288 WeakPolarHBondContact O-CB 3.35Å; Q284-K288 PolarHBondContact O-N 3.42Å; G285-K288 VanDerWaalsContact O-CB 3.31Å; G285-K288 WeakPolarHBondContact O-CB 3.44Å; G285-K288 PolarHBondContact O-N 3.42Å; G285-K288 VanDerWaalsContact O-N 3.16Å; I286-K288 PolarHBondContact O-N 3.29Å
289	I	92.4	Very high	80.9	Confident	26 Å²	26	71 Å²	71	13%	0.133	39%	0.388	C	S	.	.	H	α-helix	trans	-82.9	-52.1	178.1	-56.8	175.9	0	0	0	111.1	L122 K126 L254 G285 I286 Q287	L122-I289 HydrophobicContact CD2-CD1 3.64Å; L122-I289 HydrophobicContact CD2-CG1 3.48Å; L122-I289 VanDerWaalsContact CD2-CG1 3.48Å; K126-I289 HydrophobicContact CB-CG2 3.47Å; K126-I289 VanDerWaalsContact CB-CG2 3.47Å; K126-I289 HydrophobicContact CD-CG2 4.1Å; K126-I289 HydrophobicContact CG-CG2 4.43Å; L254-I289 HydrophobicContact CD2-CD1 3.84Å; L254-I289 HydrophobicContact CG-CD1 4.39Å; G285-I289 PolarHBondContact O-N 2.78Å; I286-I289 PolarHBondContact O-N 3.03Å; Q287-I289 VanDerWaalsContact C-N 3.27Å; Q287-I289 PolarHBondContact O-N 3.17Å
290	Y	95	Very high	78.5	Confident	30 Å²	30	76.4 Å²	76.4	12%	0.118	42%	0.42	C	S	.	.	H	α-helix	trans	-110.4	-13.3	-168.1	-61.1	-72.7	0	0	0	114.7	K126 W127 P164 L165 L252 I286	K126-Y290 HydrophobicContact CB-CE1 4.13Å; W127-Y290 HydrophobicContact CB-CE1 4.22Å; W127-Y290 PolarHBondContact N-OH 3.48Å; W127-Y290 VanDerWaalsContact N-OH 3.13Å; P164-Y290 WeakPolarHBondContact CD-O 3.24Å; P164-Y290 WeakPolarHBondContact CG-O 3.35Å; L165-Y290 HydrophobicContact CD1-CD1 4.07Å; L165-Y290 HydrophobicContact CD1-CD2 3.8Å; L165-Y290 HydrophobicContact CD1-CE1 4.16Å; L165-Y290 HydrophobicContact CD1-CE2 3.9Å; L165-Y290 HydrophobicContact CD1-CG 3.9Å; L165-Y290 HydrophobicContact CD2-CD1 3.68Å; L165-Y290 HydrophobicContact CD2-CE1 3.99Å; L165-Y290 HydrophobicContact CD2-CG 4.15Å; L165-Y290 HydrophobicContact CG-CD1 4.14Å; L165-Y290 HydrophobicContact CG-CD2 4.48Å; L165-Y290 HydrophobicContact CG-CG 4.09Å; L252-Y290 HydrophobicContact CB-CE2 4.16Å; L252-Y290 WeakPolarHBondContact O-CE2 3.46Å; L252-Y290 PolarHBondContact O-OH 3.47Å; I286-Y290 HydrophobicContact CD1-CD2 3.72Å; I286-Y290 HydrophobicContact CD1-CE2 3.73Å; I286-Y290 HydrophobicContact CG1-CD2 4.04Å; I286-Y290 PolarHBondContact O-N 2.78Å
291	G	93	Very high	76.1	Confident	21 Å²	21	81.4 Å²	81.4	22%	0.216	43%	0.432	C	S	.	.			trans	84.8	170.3	-171.6	0	0	0	0	0	113.3	P164 Q287	P164-G291 VanDerWaalsContact CD-O 3.24Å; P164-G291 WeakPolarHBondContact CD-O 3.42Å; Q287-G291 WeakPolarHBondContact O-CA 3.26Å; Q287-G291 PolarHBondContact O-N 3.01Å
292	P	93.4	Very high	73.9	Confident	82 Å²	82	86 Å²	86	53%	0.532	46%	0.462	S	S	.	.	S	Bend	trans	-70.3	165.3	171.7	32	-35.5	0	0	0	111.3
293	P	90.2	Very high	71.1	Confident	45 Å²	45	93 Å²	93	29%	0.292	50%	0.499	S	S	.	.			trans	-57.4	146.7	177.1	-20.5	32	0	0	0	111.8	N161 V162 K295	N161-P293 WeakPolarHBondContact O-CG 3.32Å; V162-P293 WeakPolarHBondContact O-CD 3.36Å; P293-K295 PolarHBondContact O-N 2.82Å
294	D	80.9	Confident	68.6	Low	121 Å²	121	95.8 Å²	95.8	65%	0.647	52%	0.52	S	S	*	.	S	Bend	trans	-67.8	17.6	-179.1	-69.3	-40.3	0	0	0	113.7	K130 P164	K130-D294 IonicContact NZ-OD1 3.9Å; K130-D294 PolarHBondContact NZ-OD1 3.22Å; K130-D294 IonicContact NZ-OD2 2.8Å; K130-D294 PolarHBondContact NZ-OD2 3.25Å; P164-D294 WeakPolarHBondContact CB-OD2 3.27Å
295	K	61	Low	66.1	Low	192 Å²	192	99.4 Å²	99.4	84%	0.835	55%	0.546	S	S	*	.			trans	-117.2	94.2	178.7	-66.9	-173.8	-176.7	177.7	0	111.9	P293	P293-K295 PolarHBondContact O-N 2.82Å
296	I	48.4	Very low	63.4	Low	149 Å²	149	105.2 Å²	105.2	76%	0.764	58%	0.581	S	S	*	*			trans	-121.8	129.8	141.4	-57.6	178.5	0	0	0	106.3
297	P	42.5	Very low	60.9	Low	106 Å²	106	110.9 Å²	110.9	69%	0.688	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-57.2	144.7	173.3	23.8	-31.9	0	0	0	110.2
298	P	40.6	Very low	58	Low	119 Å²	119	113.7 Å²	113.7	77%	0.773	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-58.9	128.4	-170.5	22.7	-32.4	0	0	0	110.9	T300	P298-T300 PolarHBondContact O-N 3.11Å
299	P	40.3	Very low	55.2	Low	119 Å²	119	115.5 Å²	115.5	77%	0.773	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-63.9	129	158.2	5.1	5.6	0	0	0	107.6	R301	P299-R301 PolarHBondContact O-N 3.36Å
300	T	40.2	Very low	52.8	Low	139 Å²	139	125.5 Å²	125.5	85%	0.853	69%	0.688	S	S	*	*			trans	-45.1	122.4	-178.1	-18.8	0	0	0	0	111.6	P298 P302	P298-T300 PolarHBondContact O-N 3.11Å; T300-P302 WeakPolarHBondContact O-CD 3.22Å
301	R	39.5	Very low	49.8	Very low	213 Å²	213	129.5 Å²	129.5	80%	0.804	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-52.8	124.4	174.5	-169.8	-177.3	-174	-165.8	3.3	111.6	P299	P299-R301 PolarHBondContact O-N 3.36Å
302	P	42.1	Very low	47.3	Very low	118 Å²	118	135.7 Å²	135.7	77%	0.766	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-78.1	139.9	154.5	-10.9	28.2	0	0	0	109.8	T300	T300-P302 WeakPolarHBondContact O-CD 3.22Å
303	L	34.4	Very low	44.8	Very low	153 Å²	153	137.1 Å²	137.1	80%	0.801	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-57.9	155	-174.1	-78.3	134.8	0	0	0	114.7	T305	L303-T305 PolarHBondContact O-N 2.69Å
304	P	41.5	Very low	42.5	Very low	103 Å²	103	141.1 Å²	141.1	67%	0.669	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-75.7	124.4	-180	30.7	-30.4	0	0	0	110.8
305	T	37.8	Very low	40.5	Very low	140 Å²	140	141.8 Å²	141.8	86%	0.859	79%	0.79	S	S	*	*			trans	-111.1	124.9	164.7	-48.9	0	0	0	0	109.2	L303	L303-T305 PolarHBondContact O-N 2.69Å
306	V	34.8	Very low	39.5	Very low	124 Å²	124	139.2 Å²	139.2	75%	0.752	79%	0.786	S	S	*	*			trans	-58.4	146.8	178	173.3	0	0	0	0	111.2
307	P	42.6	Very low	39.4	Very low	119 Å²	119	137 Å²	137	77%	0.773	78%	0.781	S	S	*	*			trans	-83.2	146.5	-174.2	32.4	-33.8	0	0	0	112.9
308	P	34.3	Very low	39.5	Very low	119 Å²	119	143 Å²	143	77%	0.773	79%	0.79	S	S	*	*			trans	-108	129	155.9	31	-18.6	0	0	0	112.3
309	H	33.6	Very low	39.4	Very low	187 Å²	187	147.5 Å²	147.5	87%	0.866	80%	0.797	S	S	*	*			trans	27.5	117.5	144.3	-88.9	-83	0	0	0	121.9
310	R	41.7	Very low	39.3	Very low	236 Å²	236	149.3 Å²	149.3	89%	0.891	80%	0.801	S	S	*	*			trans	-28.4	125.1	146	-129.2	176.6	-154	-174	4.7	113.7
311	S	33.2	Very low	39.4	Very low	114 Å²	114	149.7 Å²	149.7	80%	0.797	80%	0.797	S	S	*	*			trans	-131.9	135.6	150.4	51.7	0	0	0	0	109.1
312	I	40.5	Very low	39.4	Very low	151 Å²	151	151.3 Å²	151.3	77%	0.774	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-88.5	133.5	-170.8	-64.4	159.3	0	0	0	108.6
313	P	41.2	Very low	39.4	Very low	112 Å²	112	154 Å²	154	73%	0.727	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-88.1	148.1	161.3	0	18.6	0	0	0	111.2
314	P	41.2	Very low	39.6	Very low	130 Å²	130	152.7 Å²	152.7	84%	0.844	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-77	158.4	-176	-2.1	19.5	0	0	0	113.6
315	V	38.3	Very low	39.2	Very low	134 Å²	134	157.4 Å²	157.4	81%	0.812	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-63.4	133.9	-177	174.9	0	0	0	0	113
316	D	41.5	Very low	39.2	Very low	139 Å²	139	155.9 Å²	155.9	74%	0.743	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-96.9	119.7	159.9	-170.1	-13.6	0	0	0	109.3	R318	D316-R318 PolarHBondContact O-N 2.85Å
317	P	46.2	Very low	39.4	Very low	102 Å²	102	156 Å²	156	66%	0.662	81%	0.812	S	S	*	*			trans	-88.8	101.6	-173.1	33.2	-31.5	0	0	0	111.3
318	R	44.9	Very low	38.9	Very low	233 Å²	233	161.9 Å²	161.9	88%	0.879	82%	0.819	S	S	*	*			trans	-164.5	86.9	162.5	-103.5	154.2	-162.1	-167.6	7.5	113	D316	D316-R318 PolarHBondContact O-N 2.85Å
319	K	37.3	Very low	39	Very low	212 Å²	212	161.1 Å²	161.1	92%	0.922	81%	0.814	S	S	*	*				169	118	125.8	-101.3	178.6	172.9	176.7	0	111.1
320	N	38.2	Very low	39.4	Very low	158 Å²	158	158.3 Å²	158.3	85%	0.845	81%	0.812	S	S	*	*			trans	-73.7	157.3	169.1	-86.6	-8.2	0	0	0	112.5
321	D	42.4	Very low	39.2	Very low	146 Å²	146	153.8 Å²	153.8	78%	0.781	81%	0.811	S	S	*	*			trans	73	102.1	154.1	-91.5	-35.6	0	0	0	119.8
322	R	39.2	Very low	39.3	Very low	247 Å²	247	151.3 Å²	151.3	93%	0.932	80%	0.803	S	S	*	*			trans	-128.9	108.3	146.2	-77.8	-173.4	175.8	175.1	-0.1	109.4
323	Q	42.3	Very low	39.6	Very low	175 Å²	175	152 Å²	152	82%	0.818	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-57.4	151.2	161	-80.1	177.9	-35.2	0	0	111.5
324	P	38	Very low	39.2	Very low	126 Å²	126	154.6 Å²	154.6	82%	0.818	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-72.7	132.9	176.2	29.6	-33.4	0	0	0	111.4
325	K	33.2	Very low	39.2	Very low	202 Å²	202	154 Å²	154	88%	0.878	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-85.9	139.7	178.8	-156.9	172.6	-172	174.5	0	110.3
326	P	38	Very low	39.3	Very low	108 Å²	108	152.5 Å²	152.5	70%	0.701	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-71.3	165.6	-176.5	-14	28	0	0	0	114.1
327	P	39	Very low	39.5	Very low	126 Å²	126	154.3 Å²	154.3	82%	0.818	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-64.6	141.6	-179.1	-11.2	25.9	0	0	0	111.7
328	R	33.1	Very low	39.4	Very low	242 Å²	242	156.2 Å²	156.2	91%	0.913	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-78.1	134.1	-179.6	-149.4	178.8	-155.7	-171.7	5.3	110.3
329	P	35.4	Very low	39.7	Very low	103 Å²	103	147.9 Å²	147.9	67%	0.669	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-69.1	162.3	175.7	-12.2	26.7	0	0	0	112.3	T331	P329-T331 PolarHBondContact O-N 3.1Å
330	P	43.1	Very low	41.1	Very low	128 Å²	128	140.5 Å²	140.5	83%	0.831	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-64.9	133	-178.5	28.7	-33.9	0	0	0	110.4	G332	P330-G332 PolarHBondContact O-N 2.9Å
331	T	38.2	Very low	42.9	Very low	141 Å²	141	140 Å²	140	87%	0.865	77%	0.766	S	S	*	*			trans	-70.3	91.9	177.6	-5.8	0	0	0	0	109.6	P329	P329-T331 PolarHBondContact O-N 3.1Å
332	G	35	Very low	45.1	Very low	62 Å²	62	134 Å²	134	64%	0.639	74%	0.735	S	S	*	*			trans	-67.7	146.5	156.9	0	0	0	0	0	110.8	P330 K334	P330-G332 PolarHBondContact O-N 2.9Å; G332-K334 PolarHBondContact O-N 2.77Å
333	D	46	Very low	47.4	Very low	166 Å²	166	126.3 Å²	126.3	89%	0.888	71%	0.713	S	S	*	*			trans	-10.1	107.3	174.3	-60.4	-41.8	0	0	0	116.4
334	K	32.4	Very low	49.6	Very low	166 Å²	166	118.5 Å²	118.5	72%	0.722	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-82.8	130.1	167.7	-127.2	-180	-177.3	-175.2	0	108.6	G332 S336	G332-K334 PolarHBondContact O-N 2.77Å; K334-S336 PolarHBondContact O-N 2.76Å
335	P	40.8	Very low	52.1	Low	117 Å²	117	115 Å²	115	76%	0.76	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-63	127.5	174.1	-17.4	29.6	0	0	0	110.5	Y337	P335-Y337 PolarHBondContact O-N 3.33Å
336	S	41	Very low	54.6	Low	104 Å²	104	109.2 Å²	109.2	73%	0.727	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-57.8	127	176	-58.8	0	0	0	0	110.9	K334	K334-S336 PolarHBondContact O-N 2.76Å
337	Y	45.6	Very low	57	Low	177 Å²	177	104 Å²	104	69%	0.694	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-57.3	140.9	171.6	-72.9	-92	0	0	0	110.4	P335 G339 A340	P335-Y337 PolarHBondContact O-N 3.33Å; Y337-G339 PolarHBondContact O-N 3.06Å; Y337-A340 PolarHBondContact O-N 3.17Å
338	P	43.4	Very low	59.4	Low	141 Å²	141	103 Å²	103	92%	0.916	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	105.7	174.6	-15.1	27.4	0	0	0	109.6
339	G	52.8	Low	62.3	Low	59 Å²	59	91.6 Å²	91.6	61%	0.608	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.4	-3.2	179.7	0	0	0	0	0	116.3	Y337	Y337-G339 PolarHBondContact O-N 3.06Å
340	A	65.6	Low	65	Low	56 Å²	56	88.9 Å²	88.9	46%	0.463	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-68.5	142.6	170.3	0	0	0	0	0	111	Y337	Y337-A340 PolarHBondContact O-N 3.17Å
341	K	76.9	Confident	67.5	Low	147 Å²	147	82.9 Å²	82.9	64%	0.639	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-62.7	125.7	173.8	-70.9	-174.2	179.3	-172.5	0	109	W366 P380	K341-W366 HydrophobicContact CG-CH2 3.93Å; K341-W366 HydrophobicContact CG-CZ2 4.23Å; K341-W366 HydrophobicContact CG-CZ3 4.26Å; K341-P380 HydrophobicContact CB-CG 4.05Å; K341-P380 HydrophobicContact CD-CG 4.35Å; K341-P380 HydrophobicContact CG-CG 4.41Å
342	P	87.4	Confident	70.2	Confident	20 Å²	20	76.1 Å²	76.1	13%	0.13	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-67.3	151.9	178.9	25.7	-32.6	0	0	0	111.1	K363 W366 W368	P342-K363 HydrophobicContact CB-CD 4.32Å; P342-W366 HydrophobicContact CG-CB 3.88Å; P342-W366 VanDerWaalsContact CG-CD1 3.45Å; P342-W366 HydrophobicContact CG-CD2 4.49Å; P342-W366 HydrophobicContact CG-CG 3.69Å; P342-W368 HydrophobicContact CB-CH2 3.9Å; P342-W368 HydrophobicContact CB-CZ2 4.06Å; P342-W368 HydrophobicContact CG-CH2 3.51Å; P342-W368 HydrophobicContact CG-CZ2 3.67Å; P342-W368 WeakPolarHBondContact O-CZ2 3.36Å
343	N	87.6	Confident	73	Confident	87 Å²	87	73.3 Å²	73.3	47%	0.465	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-92	136.8	168.9	-172.5	-32.5	0	0	0	108.8	C345 D346	N343-C345 PolarHBondContact O-N 3.23Å; N343-C345 WeakPolarHBondContact OD1-CB 3.27Å; N343-C345 PolarHBondContact OD1-N 3.04Å; N343-D346 WeakPolarHBondContact CB-OD2 3.44Å; N343-D346 PolarHBondContact N-OD2 2.85Å; N343-D346 VanDerWaalsContact N-OD2 3.13Å; N343-D346 VanDerWaalsContact O-CB 3.31Å; N343-D346 WeakPolarHBondContact O-CB 3.27Å; N343-D346 PolarHBondContact O-N 2.69Å
344	I	89.3	Confident	75.1	Confident	10 Å²	10	67.5 Å²	67.5	5%	0.051	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-62	-31.8	178.4	-158.5	169.5	0	0	0	111.6	D346 G347 F349 W368 V370 V375 M532	I344-D346 PolarHBondContact O-N 3.4Å; I344-G347 PolarHBondContact O-N 3.27Å; I344-F349 HydrophobicContact CG1-CE1 3.94Å; I344-F349 HydrophobicContact CG1-CZ 3.88Å; I344-F349 WeakPolarHBondContact O-CE1 3.3Å; I344-F349 VanDerWaalsContact O-CZ 3.25Å; I344-F349 WeakPolarHBondContact O-CZ 3.3Å; I344-W368 HydrophobicContact CB-CD2 4.38Å; I344-W368 HydrophobicContact CB-CZ2 4.42Å; I344-W368 HydrophobicContact CD1-CB 4.04Å; I344-W368 HydrophobicContact CD1-CD2 4.16Å; I344-W368 HydrophobicContact CD1-CG 3.9Å; I344-W368 HydrophobicContact CG1-CD2 4.18Å; I344-W368 HydrophobicContact CG1-CE3 4.47Å; I344-W368 HydrophobicContact CG1-CG 4.4Å; I344-V370 HydrophobicContact CD1-CG2 3.76Å; I344-V375 HydrophobicContact CB-CG2 4.29Å; I344-V375 HydrophobicContact CD1-CG2 3.4Å; I344-V375 HydrophobicContact CG1-CG2 4.42Å; I344-V375 HydrophobicContact CG2-CG2 3.78Å; I344-M532 HydrophobicContact CD1-CB 4.35Å; I344-M532 HydrophobicContact CD1-CG 4.33Å; I344-M532 HydrophobicContact CD1-SD 3.55Å; I344-M532 VanDerWaalsContact CD1-SD 3.55Å; I344-M532 HydrophobicContact CG1-CB 4.37Å; I344-M532 HydrophobicContact CG1-CG 4.3Å; I344-M532 HydrophobicContact CG1-SD 4.01Å
345	C	90.3	Very high	77.7	Confident	54 Å²	54	59.6 Å²	59.6	37%	0.365	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-74.3	-8.3	-179.5	-60.7	0	0	0	0	113.7	N343 G347 C534	N343-C345 PolarHBondContact O-N 3.23Å; N343-C345 WeakPolarHBondContact OD1-CB 3.27Å; N343-C345 PolarHBondContact OD1-N 3.04Å; C345-G347 PolarHBondContact O-N 3.48Å; C345-C534 WeakPolarHBondContact CA-SG 3.34Å; C345-C534 HydrophobicContact CB-CB 3.87Å; C345-C534 WeakPolarHBondContact CB-SG 3.44Å; C345-C534 WeakPolarHBondContact SG-CB 3.38Å; C345-C534 CovalentContact SG-SG 2.04Å; C345-C534 PolarHBondContact SG-SG 2.9Å
346	D	86.9	Confident	79.9	Confident	79 Å²	79	59.2 Å²	59.2	42%	0.422	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-67.8	-24.5	171.4	-59.9	-23.9	0	0	0	111.4	N343 I344	N343-D346 WeakPolarHBondContact CB-OD2 3.44Å; N343-D346 PolarHBondContact N-OD2 2.85Å; N343-D346 VanDerWaalsContact N-OD2 3.13Å; N343-D346 VanDerWaalsContact O-CB 3.31Å; N343-D346 WeakPolarHBondContact O-CB 3.27Å; N343-D346 PolarHBondContact O-N 2.69Å; I344-D346 PolarHBondContact O-N 3.4Å
347	G	87.7	Confident	81.9	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.336	C	S	.	.			trans	66.5	-152.8	-174.2	0	0	0	0	0	113.5	I344 C345 K363	I344-G347 PolarHBondContact O-N 3.27Å; C345-G347 PolarHBondContact O-N 3.48Å; G347-K363 WeakPolarHBondContact O-CE 3.39Å; G347-K363 PolarHBondContact O-NZ 3.43Å
348	N	88.4	Confident	83.9	Confident	105 Å²	105	57.8 Å²	57.8	56%	0.561	31%	0.31	S	S	*	.			trans	55	53.5	-176.2	-83.9	-2.5	0	0	0	112.9
349	F	93.7	Very high	86.2	Confident	1 Å²	1	51.7 Å²	51.7	0%	0.004	27%	0.27	C	S	.	.			trans	-70.6	146.5	172.8	-45	-54.7	0	0	0	110.6	I344 V361 F362 K363 W368 Y504 I527 L528 M532	I344-F349 HydrophobicContact CG1-CE1 3.94Å; I344-F349 HydrophobicContact CG1-CZ 3.88Å; I344-F349 WeakPolarHBondContact O-CE1 3.3Å; I344-F349 VanDerWaalsContact O-CZ 3.25Å; I344-F349 WeakPolarHBondContact O-CZ 3.3Å; F349-V361 HydrophobicContact CB-CG1 3.95Å; F349-V361 HydrophobicContact CD1-CG1 3.35Å; F349-V361 HydrophobicContact CD2-CG1 3.64Å; F349-V361 HydrophobicContact CE1-CG1 3.65Å; F349-V361 HydrophobicContact CE2-CG1 3.92Å; F349-V361 HydrophobicContact CG-CG1 3.34Å; F349-V361 HydrophobicContact CZ-CG1 3.91Å; F349-F362 CarbonylContact C-O 3.48Å; F349-F362 WeakPolarHBondContact CA-O 3.27Å; F349-F362 WeakPolarHBondContact CB-O 3.23Å; F349-K363 HydrophobicContact CD1-CB 4.27Å; F349-K363 HydrophobicContact CD1-CD 4.25Å; F349-W368 HydrophobicContact CD1-CZ3 4.49Å; F349-Y504 HydrophobicContact CB-CE1 4.11Å; F349-Y504 WeakPolarHBondContact CB-OH 3.32Å; F349-Y504 HydrophobicContact CD2-CE1 4.41Å; F349-Y504 HydrophobicContact CD2-CE2 4.13Å; F349-Y504 AromaticContact CD2-CZ 3.74Å; F349-Y504 WeakPolarHBondContact CD2-OH 3.33Å; F349-Y504 PolarHBondContact N-OH 3.39Å; F349-Y504 PolarHBondContact O-OH 3.35Å; F349-I527 HydrophobicContact CE2-CG2 4.28Å; F349-L528 HydrophobicContact CE2-CD2 4.06Å; F349-L528 HydrophobicContact CZ-CD2 3.88Å; F349-M532 HydrophobicContact CE2-CE 3.99Å; F349-M532 HydrophobicContact CE2-CG 4.2Å; F349-M532 HydrophobicContact CE2-SD 4.31Å; F349-M532 HydrophobicContact CZ-CG 4.12Å; F349-M532 HydrophobicContact CZ-SD 4.28Å
350	N	93.7	Very high	88.1	Confident	47 Å²	47	49.4 Å²	49.4	25%	0.251	24%	0.243	S	C	.	.	S	Bend	trans	-65.2	-49.7	171	-66.2	98.8	0	0	0	110.4	F362 K363 D364 I394	N350-F362 PolarHBondContact N-O 3.35Å; N350-K363 VanDerWaalsContact OD1-CA 3.27Å; N350-K363 WeakPolarHBondContact OD1-CA 3.38Å; N350-D364 PolarHBondContact OD1-N 3.23Å; N350-I394 WeakPolarHBondContact CB-O 3.37Å
351	T	95.3	Very high	89.5	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	165.3	178.2	-163.4	0	0	0	0	111.3	F362 I394 D395 V397 Q490	T351-F362 HydrophobicContact CG2-CB 4.08Å; T351-F362 HydrophobicContact CG2-CD2 3.96Å; T351-F362 HydrophobicContact CG2-CG 4.28Å; T351-F362 PolarHBondContact N-O 3.05Å; T351-F362 PolarHBondContact O-N 3.38Å; T351-I394 HydrophobicContact CG2-CD1 3.79Å; T351-I394 HydrophobicContact CG2-CG1 3.97Å; T351-D395 WeakPolarHBondContact CB-O 3.32Å; T351-V397 HydrophobicContact CG2-CG1 4.05Å; T351-Q490 VanDerWaalsContact CA-O 3.28Å; T351-Q490 WeakPolarHBondContact CA-O 3.43Å; T351-Q490 WeakPolarHBondContact CB-O 3.19Å; T351-Q490 PolarHBondContact OG1-O 3.29Å
352	L	94.9	Very high	90.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	147.1	173.2	55.9	78.4	0	0	0	110.1	F360 F493 Y504 I527	L352-F360 VanDerWaalsContact CA-O 3.27Å; L352-F360 WeakPolarHBondContact CA-O 3.19Å; L352-F493 HydrophobicContact CD1-CD1 3.33Å; L352-F493 HydrophobicContact CD1-CE1 3.42Å; L352-F493 VanDerWaalsContact CD1-CE1 3.42Å; L352-Y504 HydrophobicContact CD1-CG 4.45Å; L352-Y504 HydrophobicContact CD2-CD1 3.68Å; L352-Y504 HydrophobicContact CD2-CD2 3.85Å; L352-Y504 HydrophobicContact CD2-CE1 4.23Å; L352-Y504 HydrophobicContact CD2-CE2 4.38Å; L352-Y504 HydrophobicContact CD2-CG 3.46Å; L352-Y504 VanDerWaalsContact CD2-CG 3.46Å; L352-Y504 HydrophobicContact CG-CD1 3.81Å; L352-Y504 HydrophobicContact CG-CG 3.94Å; L352-I527 HydrophobicContact CD2-CD1 4.2Å; L352-I527 HydrophobicContact CD2-CG1 4.2Å
353	A	92.8	Very high	90.7	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.017	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	157.8	178.1	0	0	0	0	0	110.7	L355 F360 V397	A353-L355 HydrophobicContact CB-CD2 4.28Å; A353-L355 HydrophobicContact CB-CG 4.45Å; A353-F360 PolarHBondContact N-O 3.1Å; A353-F360 PolarHBondContact O-N 2.89Å; A353-V397 HydrophobicContact CB-CG1 3.74Å
354	I	89.7	Confident	90.8	Very high	44 Å²	44	40.2 Å²	40.2	23%	0.226	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.4	165.6	-66.3	-179.3	0	0	0	108	E358 F493	I354-E358 CarbonylContact C-O 3.53Å; I354-E358 VanDerWaalsContact CA-O 3.24Å; I354-E358 WeakPolarHBondContact CA-O 3.36Å; I354-F493 HydrophobicContact CB-CB 4.2Å; I354-F493 HydrophobicContact CD1-CB 4.26Å; I354-F493 HydrophobicContact CD1-CD2 3.31Å; I354-F493 HydrophobicContact CD1-CE2 3.88Å; I354-F493 HydrophobicContact CD1-CG 4.02Å; I354-F493 HydrophobicContact CG1-CB 3.89Å; I354-F493 HydrophobicContact CG1-CD2 3.71Å; I354-F493 HydrophobicContact CG1-CE2 4.43Å; I354-F493 HydrophobicContact CG1-CG 3.88Å
355	L	89.1	Confident	90.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.1	175.3	-53	175.9	0	0	0	107.5	A353 R357 E358 F360 V397 E399 F405	A353-L355 HydrophobicContact CB-CD2 4.28Å; A353-L355 HydrophobicContact CB-CG 4.45Å; L355-R357 PolarHBondContact O-N 2.93Å; L355-R357 VanDerWaalsContact O-N 3.11Å; L355-E358 PolarHBondContact N-O 3.34Å; L355-E358 PolarHBondContact O-N 3.42Å; L355-F360 HydrophobicContact CB-CD2 3.74Å; L355-F360 HydrophobicContact CB-CE2 3.84Å; L355-F360 HydrophobicContact CD1-CB 4.34Å; L355-F360 HydrophobicContact CD1-CD2 4.06Å; L355-F360 HydrophobicContact CD1-CG 4.1Å; L355-F360 HydrophobicContact CG-CD2 4.05Å; L355-F360 HydrophobicContact CG-CG 4.49Å; L355-V397 HydrophobicContact CD1-CG2 4.11Å; L355-V397 HydrophobicContact CD2-CG2 4.18Å; L355-E399 HydrophobicContact CD2-CB 4.06Å; L355-F405 HydrophobicContact CB-CD1 4.22Å; L355-F405 HydrophobicContact CB-CE1 3.88Å; L355-F405 HydrophobicContact CB-CZ 4.05Å; L355-F405 HydrophobicContact CD1-CD1 4.43Å; L355-F405 HydrophobicContact CD1-CD2 4.23Å; L355-F405 HydrophobicContact CD1-CG 4.2Å; L355-F405 HydrophobicContact CD2-CD1 3.99Å; L355-F405 HydrophobicContact CD2-CE1 4.46Å; L355-F405 HydrophobicContact CD2-CG 4.39Å; L355-F405 HydrophobicContact CG-CD1 4.44Å
356	R	86.3	Confident	90.7	Very high	109 Å²	109	41.8 Å²	41.8	41%	0.411	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	37.9	-178.2	-60.7	-68.8	-165.8	-148.5	5.3	114.1	E358 E399 G403 F405 D418	R356-E358 VanDerWaalsContact C-N 3.3Å; R356-E358 PolarHBondContact O-N 3.32Å; R356-E399 IonicContact CZ-OE1 3.18Å; R356-E399 PolarHBondContact N-OE2 3.14Å; R356-E399 IonicContact NE-OE1 3.44Å; R356-E399 IonicContact NH1-OE1 3.09Å; R356-E399 PolarHBondContact NH1-OE1 2.82Å; R356-G403 VanDerWaalsContact CZ-O 3.25Å; R356-G403 PolarHBondContact NH1-O 3.36Å; R356-G403 PolarHBondContact NH2-O 3.12Å; R356-F405 HydrophobicContact CG-CE1 3.8Å; R356-F405 HydrophobicContact CG-CZ 3.53Å; R356-D418 IonicContact CZ-OD1 2.74Å; R356-D418 IonicContact NE-OD1 3.14Å; R356-D418 PolarHBondContact NE-OD1 3.32Å; R356-D418 IonicContact NH2-OD1 3.66Å; R356-D418 PolarHBondContact NH2-OD1 3.13Å; R356-D418 IonicContact NH2-OD2 2.84Å
357	R	83.6	Confident	91.1	Very high	218 Å²	218	38 Å²	38	82%	0.823	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	71	12.9	-179.9	-47.2	176.5	177.2	-170.8	-2.3	115.6	L355	L355-R357 PolarHBondContact O-N 2.93Å; L355-R357 VanDerWaalsContact O-N 3.11Å
358	E	86.8	Confident	91.4	Very high	33 Å²	33	38.2 Å²	38.2	15%	0.154	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	148.5	174	-63.5	-179.8	154.4	0	0	110.7	I354 L355 R356 F360 R369	I354-E358 CarbonylContact C-O 3.53Å; I354-E358 VanDerWaalsContact CA-O 3.24Å; I354-E358 WeakPolarHBondContact CA-O 3.36Å; L355-E358 PolarHBondContact N-O 3.34Å; L355-E358 PolarHBondContact O-N 3.42Å; R356-E358 VanDerWaalsContact C-N 3.3Å; R356-E358 PolarHBondContact O-N 3.32Å; E358-F360 HydrophobicContact CB-CD2 4.47Å; E358-F360 HydrophobicContact CB-CE2 3.98Å; E358-F360 WeakPolarHBondContact O-CD2 3.38Å; E358-R369 IonicContact OE1-CZ 3.45Å; E358-R369 IonicContact OE1-NH2 2.84Å; E358-R369 PolarHBondContact OE1-NH2 3.21Å; E358-R369 IonicContact OE2-CZ 3.42Å; E358-R369 IonicContact OE2-NE 3.28Å; E358-R369 PolarHBondContact OE2-NE 2.93Å; E358-R369 IonicContact OE2-NH2 2.95Å; E358-R369 PolarHBondContact OE2-NH2 2.95Å
359	M	91	Very high	91.5	Very high	14 Å²	14	36 Å²	36	7%	0.069	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	124.4	177.4	180	173.2	-70.1	0	0	110	V361 R369 V370 F493 F531 M532	M359-V361 HydrophobicContact CG-CG2 4.01Å; M359-V361 HydrophobicContact SD-CG2 4.27Å; M359-R369 CarbonylContact O-C 3.55Å; M359-R369 WeakPolarHBondContact O-CA 3.43Å; M359-V370 HydrophobicContact CB-CB 4.25Å; M359-V370 WeakPolarHBondContact CB-O 3.41Å; M359-V370 HydrophobicContact CG-CB 4.49Å; M359-V370 PolarHBondContact N-O 3.37Å; M359-V370 PolarHBondContact O-N 2.91Å; M359-F493 HydrophobicContact CE-CD1 4.32Å; M359-F493 HydrophobicContact CE-CE1 3.62Å; M359-F493 HydrophobicContact CE-CE2 3.88Å; M359-F493 HydrophobicContact CE-CZ 3.36Å; M359-F531 HydrophobicContact CE-CD1 3.37Å; M359-F531 HydrophobicContact CE-CE1 3.67Å; M359-F531 HydrophobicContact CE-CG 4.21Å; M359-F531 HydrophobicContact SD-CB 4.34Å; M359-F531 HydrophobicContact SD-CD1 4.07Å; M359-M532 HydrophobicContact SD-CE 3.9Å
360	F	94	Very high	91.4	Very high	11 Å²	11	36.2 Å²	36.2	5%	0.048	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.6	172.1	-72.8	-104.2	0	0	0	109.2	L352 A353 L355 E358 F362 F367 W368 R369 W387	L352-F360 VanDerWaalsContact CA-O 3.27Å; L352-F360 WeakPolarHBondContact CA-O 3.19Å; A353-F360 PolarHBondContact N-O 3.1Å; A353-F360 PolarHBondContact O-N 2.89Å; L355-F360 HydrophobicContact CB-CD2 3.74Å; L355-F360 HydrophobicContact CB-CE2 3.84Å; L355-F360 HydrophobicContact CD1-CB 4.34Å; L355-F360 HydrophobicContact CD1-CD2 4.06Å; L355-F360 HydrophobicContact CD1-CG 4.1Å; L355-F360 HydrophobicContact CG-CD2 4.05Å; L355-F360 HydrophobicContact CG-CG 4.49Å; E358-F360 HydrophobicContact CB-CD2 4.47Å; E358-F360 HydrophobicContact CB-CE2 3.98Å; E358-F360 WeakPolarHBondContact O-CD2 3.38Å; F360-F362 HydrophobicContact CB-CD2 4.36Å; F360-F362 HydrophobicContact CB-CE2 3.5Å; F360-F362 VanDerWaalsContact CB-CE2 3.5Å; F360-F362 HydrophobicContact CB-CZ 3.92Å; F360-F362 HydrophobicContact CD1-CZ 4.42Å; F360-F367 AromaticContact CD1-CD2 3.87Å; F360-F367 HydrophobicContact CD1-CD2 3.87Å; F360-F367 AromaticContact CD1-CE2 3.92Å; F360-F367 HydrophobicContact CD1-CE2 3.92Å; F360-F367 HydrophobicContact CE1-CD2 4.37Å; F360-F367 AromaticContact CE1-CE2 3.95Å; F360-F367 HydrophobicContact CE1-CE2 3.95Å; F360-W368 WeakPolarHBondContact CA-O 3.34Å; F360-R369 HydrophobicContact CD1-CG 3.82Å; F360-R369 HydrophobicContact CE1-CG 3.45Å; F360-R369 VanDerWaalsContact CE1-CG 3.45Å; F360-R369 HydrophobicContact CE2-CG 4.27Å; F360-R369 HydrophobicContact CG-CG 4.4Å; F360-R369 HydrophobicContact CZ-CG 3.7Å; F360-W387 AromaticContact CD1-CH2 3.65Å; F360-W387 HydrophobicContact CD1-CH2 3.65Å; F360-W387 HydrophobicContact CD1-CZ2 4.16Å; F360-W387 AromaticContact CE1-CH2 3.75Å; F360-W387 HydrophobicContact CE1-CH2 3.75Å; F360-W387 AromaticContact CE1-CZ2 3.95Å; F360-W387 HydrophobicContact CE1-CZ2 3.95Å
361	V	95.1	Very high	91	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.4	-178.6	-175	0	0	0	0	108.1	F349 M359 F367 W368 V370 M532	F349-V361 HydrophobicContact CB-CG1 3.95Å; F349-V361 HydrophobicContact CD1-CG1 3.35Å; F349-V361 HydrophobicContact CD2-CG1 3.64Å; F349-V361 HydrophobicContact CE1-CG1 3.65Å; F349-V361 HydrophobicContact CE2-CG1 3.92Å; F349-V361 HydrophobicContact CG-CG1 3.34Å; F349-V361 HydrophobicContact CZ-CG1 3.91Å; M359-V361 HydrophobicContact CG-CG2 4.01Å; M359-V361 HydrophobicContact SD-CG2 4.27Å; V361-F367 CarbonylContact O-C 3.47Å; V361-F367 WeakPolarHBondContact O-CA 3.37Å; V361-F367 WeakPolarHBondContact O-CB 3.24Å; V361-W368 HydrophobicContact CB-CE3 4.3Å; V361-W368 HydrophobicContact CG1-CE3 4.27Å; V361-W368 PolarHBondContact N-O 3.1Å; V361-W368 PolarHBondContact O-N 3.23Å; V361-V370 HydrophobicContact CG2-CG2 3.92Å; V361-M532 HydrophobicContact CG2-CE 3.68Å; V361-M532 HydrophobicContact CG2-SD 3.94Å
362	F	94.9	Very high	90.3	Very high	1 Å²	1	48 Å²	48	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.9	-174.5	-62.7	-97.2	0	0	0	110.8	F349 N350 T351 F360 F367 I383 W387 I394 V397 F407	F349-F362 CarbonylContact C-O 3.48Å; F349-F362 WeakPolarHBondContact CA-O 3.27Å; F349-F362 WeakPolarHBondContact CB-O 3.23Å; N350-F362 PolarHBondContact N-O 3.35Å; T351-F362 HydrophobicContact CG2-CB 4.08Å; T351-F362 HydrophobicContact CG2-CD2 3.96Å; T351-F362 HydrophobicContact CG2-CG 4.28Å; T351-F362 PolarHBondContact N-O 3.05Å; T351-F362 PolarHBondContact O-N 3.38Å; F360-F362 HydrophobicContact CB-CD2 4.36Å; F360-F362 HydrophobicContact CB-CE2 3.5Å; F360-F362 VanDerWaalsContact CB-CE2 3.5Å; F360-F362 HydrophobicContact CB-CZ 3.92Å; F360-F362 HydrophobicContact CD1-CZ 4.42Å; F362-F367 HydrophobicContact CD1-CB 3.61Å; F362-F367 HydrophobicContact CD1-CG 4.41Å; F362-F367 HydrophobicContact CE1-CB 3.92Å; F362-F367 HydrophobicContact CE1-CG 4.26Å; F362-F367 HydrophobicContact CG-CB 4.15Å; F362-I383 HydrophobicContact CD1-CD1 3.76Å; F362-I383 HydrophobicContact CD1-CG1 3.99Å; F362-I383 HydrophobicContact CE1-CG1 4.42Å; F362-W387 HydrophobicContact CE1-CE3 4.23Å; F362-W387 AromaticContact CE1-CH2 3.76Å; F362-W387 HydrophobicContact CE1-CH2 3.76Å; F362-W387 AromaticContact CE1-CZ3 3.46Å; F362-W387 HydrophobicContact CE1-CZ3 3.46Å; F362-W387 VanDerWaalsContact CE1-CZ3 3.46Å; F362-W387 AromaticContact CZ-CH2 3.71Å; F362-W387 HydrophobicContact CZ-CH2 3.71Å; F362-W387 HydrophobicContact CZ-CZ2 4.48Å; F362-W387 AromaticContact CZ-CZ3 3.93Å; F362-W387 HydrophobicContact CZ-CZ3 3.93Å; F362-I394 HydrophobicContact CB-CD1 4.17Å; F362-I394 HydrophobicContact CB-CG1 4.14Å; F362-I394 HydrophobicContact CD1-CD1 3.5Å; F362-I394 HydrophobicContact CD1-CG1 4.04Å; F362-I394 HydrophobicContact CD2-CD1 3.89Å; F362-I394 HydrophobicContact CE1-CD1 3.74Å; F362-I394 HydrophobicContact CE2-CD1 4.1Å; F362-I394 HydrophobicContact CG-CD1 3.59Å; F362-I394 HydrophobicContact CG-CG1 4.09Å; F362-I394 HydrophobicContact CZ-CD1 4.04Å; F362-V397 HydrophobicContact CD2-CG1 4.22Å; F362-V397 HydrophobicContact CE2-CG1 3.74Å; F362-V397 HydrophobicContact CZ-CG1 4.38Å; F362-F407 HydrophobicContact CE1-CE1 4.12Å; F362-F407 AromaticContact CZ-CE1 3.92Å; F362-F407 HydrophobicContact CZ-CE1 3.92Å
363	K	93.4	Very high	89.8	Confident	22 Å²	22	51.9 Å²	51.9	10%	0.096	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	121.2	176.5	-172.3	175.4	173.1	175.7	0	111.5	P342 G347 F349 N350 Q365 W366 W368	P342-K363 HydrophobicContact CB-CD 4.32Å; G347-K363 WeakPolarHBondContact O-CE 3.39Å; G347-K363 PolarHBondContact O-NZ 3.43Å; F349-K363 HydrophobicContact CD1-CB 4.27Å; F349-K363 HydrophobicContact CD1-CD 4.25Å; N350-K363 VanDerWaalsContact OD1-CA 3.27Å; N350-K363 WeakPolarHBondContact OD1-CA 3.38Å; K363-Q365 PolarHBondContact O-N 2.88Å; K363-W366 CarbonylContact C-O 3.55Å; K363-W366 PolarHBondContact N-O 2.92Å; K363-W366 CarbonylContact O-C 3.48Å; K363-W366 WeakPolarHBondContact O-CA 3.46Å; K363-W366 WeakPolarHBondContact O-CB 3.34Å; K363-W366 PolarHBondContact O-N 3.37Å; K363-W368 HydrophobicContact CB-CH2 3.85Å; K363-W368 HydrophobicContact CB-CZ3 3.5Å; K363-W368 HydrophobicContact CD-CH2 4.11Å; K363-W368 HydrophobicContact CD-CZ3 4.43Å
364	D	90.1	Very high	89.3	Confident	93 Å²	93	59.2 Å²	59.2	50%	0.497	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	-117.9	-175.3	-54.9	-50.8	0	0	0	110.4	N350 S393	N350-D364 PolarHBondContact OD1-N 3.23Å; D364-S393 VanDerWaalsContact O-CA 3.3Å; D364-S393 WeakPolarHBondContact O-CA 3.25Å; D364-S393 WeakPolarHBondContact O-CB 3.33Å
365	Q	87.9	Confident	89.1	Confident	71 Å²	71	58.7 Å²	58.7	33%	0.332	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	3.3	176.8	67.6	-175.2	-12	0	0	114.8	K363 Q382 I383 P392	K363-Q365 PolarHBondContact O-N 2.88Å; Q365-Q382 VanDerWaalsContact O-CA 3.32Å; Q365-Q382 WeakPolarHBondContact O-CA 3.42Å; Q365-I383 PolarHBondContact O-N 2.81Å; Q365-P392 VanDerWaalsContact CA-O 3.24Å; Q365-P392 WeakPolarHBondContact CA-O 3.4Å; Q365-P392 HydrophobicContact CB-CB 4.21Å
366	W	90.7	Very high	88.8	Confident	26 Å²	26	61.4 Å²	61.4	10%	0.098	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	155.3	-169.6	-55.9	96.7	0	0	0	111.2	K341 P342 K363 P380 M381 Q382	K341-W366 HydrophobicContact CG-CH2 3.93Å; K341-W366 HydrophobicContact CG-CZ2 4.23Å; K341-W366 HydrophobicContact CG-CZ3 4.26Å; P342-W366 HydrophobicContact CG-CB 3.88Å; P342-W366 VanDerWaalsContact CG-CD1 3.45Å; P342-W366 HydrophobicContact CG-CD2 4.49Å; P342-W366 HydrophobicContact CG-CG 3.69Å; K363-W366 CarbonylContact C-O 3.55Å; K363-W366 PolarHBondContact N-O 2.92Å; K363-W366 CarbonylContact O-C 3.48Å; K363-W366 WeakPolarHBondContact O-CA 3.46Å; K363-W366 WeakPolarHBondContact O-CB 3.34Å; K363-W366 PolarHBondContact O-N 3.37Å; W366-P380 HydrophobicContact CB-CB 4.02Å; W366-P380 HydrophobicContact CD2-CB 4.35Å; W366-P380 HydrophobicContact CE3-CB 3.96Å; W366-P380 HydrophobicContact CE3-CG 4.37Å; W366-P380 HydrophobicContact CG-CB 4.42Å; W366-M381 CarbonylContact C-O 3.52Å; W366-M381 VanDerWaalsContact CA-O 3.29Å; W366-M381 WeakPolarHBondContact CA-O 3.28Å; W366-Q382 HydrophobicContact CD2-CG 4.31Å; W366-Q382 HydrophobicContact CE3-CG 3.75Å; W366-Q382 HydrophobicContact CH2-CG 3.81Å; W366-Q382 HydrophobicContact CZ2-CG 4.36Å; W366-Q382 HydrophobicContact CZ3-CG 3.48Å; W366-Q382 VanDerWaalsContact CZ3-CG 3.48Å
367	F	93.9	Very high	88.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	162.2	167.9	76.4	-76.9	0	0	0	111	F360 V361 F362 Y379 P380 M381 I383 F386 W387	F360-F367 AromaticContact CD1-CD2 3.87Å; F360-F367 HydrophobicContact CD1-CD2 3.87Å; F360-F367 AromaticContact CD1-CE2 3.92Å; F360-F367 HydrophobicContact CD1-CE2 3.92Å; F360-F367 HydrophobicContact CE1-CD2 4.37Å; F360-F367 AromaticContact CE1-CE2 3.95Å; F360-F367 HydrophobicContact CE1-CE2 3.95Å; V361-F367 CarbonylContact O-C 3.47Å; V361-F367 WeakPolarHBondContact O-CA 3.37Å; V361-F367 WeakPolarHBondContact O-CB 3.24Å; F362-F367 HydrophobicContact CD1-CB 3.61Å; F362-F367 HydrophobicContact CD1-CG 4.41Å; F362-F367 HydrophobicContact CE1-CB 3.92Å; F362-F367 HydrophobicContact CE1-CG 4.26Å; F362-F367 HydrophobicContact CG-CB 4.15Å; F367-Y379 HydrophobicContact CD2-CD1 4.47Å; F367-Y379 AromaticContact CD2-CE1 3.98Å; F367-Y379 HydrophobicContact CD2-CE1 3.98Å; F367-Y379 HydrophobicContact CE1-CE1 4.39Å; F367-Y379 HydrophobicContact CE2-CD1 4.3Å; F367-Y379 AromaticContact CE2-CE1 3.42Å; F367-Y379 HydrophobicContact CE2-CE1 3.42Å; F367-Y379 VanDerWaalsContact CE2-CE1 3.42Å; F367-Y379 AromaticContact CZ-CE1 3.66Å; F367-Y379 HydrophobicContact CZ-CE1 3.66Å; F367-Y379 VanDerWaalsContact O-CD1 3.31Å; F367-Y379 WeakPolarHBondContact O-CD1 3.29Å; F367-P380 WeakPolarHBondContact O-CA 3.25Å; F367-M381 HydrophobicContact CD1-CB 4.35Å; F367-M381 VanDerWaalsContact CD1-O 3.22Å; F367-M381 WeakPolarHBondContact CD1-O 3.3Å; F367-M381 HydrophobicContact CE1-CB 3.79Å; F367-M381 HydrophobicContact CE1-CG 4.01Å; F367-M381 HydrophobicContact CE1-SD 4.42Å; F367-M381 HydrophobicContact CZ-CB 4.16Å; F367-M381 HydrophobicContact CZ-CG 4.41Å; F367-M381 HydrophobicContact CZ-SD 4.31Å; F367-M381 PolarHBondContact N-O 2.92Å; F367-M381 PolarHBondContact O-N 3.39Å; F367-I383 HydrophobicContact CB-CG1 4.09Å; F367-I383 HydrophobicContact CD1-CG1 3.83Å; F367-I383 HydrophobicContact CG-CG1 4.36Å; F367-F386 HydrophobicContact CE1-CB 3.64Å; F367-F386 HydrophobicContact CE1-CG 4.12Å; F367-F386 HydrophobicContact CE2-CD1 4.47Å; F367-F386 HydrophobicContact CZ-CB 3.62Å; F367-F386 AromaticContact CZ-CD1 3.79Å; F367-F386 HydrophobicContact CZ-CD1 3.79Å; F367-F386 HydrophobicContact CZ-CD2 4.04Å; F367-F386 HydrophobicContact CZ-CE1 4.44Å; F367-F386 AromaticContact CZ-CG 3.55Å; F367-F386 HydrophobicContact CZ-CG 3.55Å; F367-W387 AromaticContact CD1-CZ3 3.71Å; F367-W387 HydrophobicContact CD1-CZ3 3.71Å; F367-W387 AromaticContact CD2-CH2 3.79Å; F367-W387 HydrophobicContact CD2-CH2 3.79Å; F367-W387 AromaticContact CD2-CZ3 3.74Å; F367-W387 HydrophobicContact CD2-CZ3 3.74Å; F367-W387 HydrophobicContact CE1-CE3 4.23Å; F367-W387 HydrophobicContact CE1-CH2 4.36Å; F367-W387 AromaticContact CE1-CZ3 3.59Å; F367-W387 HydrophobicContact CE1-CZ3 3.59Å; F367-W387 AromaticContact CE2-CH2 3.52Å; F367-W387 HydrophobicContact CE2-CH2 3.52Å; F367-W387 AromaticContact CE2-CZ3 3.59Å; F367-W387 HydrophobicContact CE2-CZ3 3.59Å; F367-W387 HydrophobicContact CG-CH2 4.29Å; F367-W387 AromaticContact CG-CZ3 3.78Å; F367-W387 HydrophobicContact CG-CZ3 3.78Å; F367-W387 HydrophobicContact CZ-CE3 4.36Å; F367-W387 AromaticContact CZ-CH2 3.84Å; F367-W387 HydrophobicContact CZ-CH2 3.84Å; F367-W387 AromaticContact CZ-CZ3 3.52Å; F367-W387 HydrophobicContact CZ-CZ3 3.52Å
368	W	94.1	Very high	87.7	Confident	5 Å²	5	52.1 Å²	52.1	2%	0.019	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150	172.4	-60.1	-99.1	0	0	0	110	P342 I344 F349 F360 V361 K363 V370 V375 P380	P342-W368 HydrophobicContact CB-CH2 3.9Å; P342-W368 HydrophobicContact CB-CZ2 4.06Å; P342-W368 HydrophobicContact CG-CH2 3.51Å; P342-W368 HydrophobicContact CG-CZ2 3.67Å; P342-W368 WeakPolarHBondContact O-CZ2 3.36Å; I344-W368 HydrophobicContact CB-CD2 4.38Å; I344-W368 HydrophobicContact CB-CZ2 4.42Å; I344-W368 HydrophobicContact CD1-CB 4.04Å; I344-W368 HydrophobicContact CD1-CD2 4.16Å; I344-W368 HydrophobicContact CD1-CG 3.9Å; I344-W368 HydrophobicContact CG1-CD2 4.18Å; I344-W368 HydrophobicContact CG1-CE3 4.47Å; I344-W368 HydrophobicContact CG1-CG 4.4Å; F349-W368 HydrophobicContact CD1-CZ3 4.49Å; F360-W368 WeakPolarHBondContact CA-O 3.34Å; V361-W368 HydrophobicContact CB-CE3 4.3Å; V361-W368 HydrophobicContact CG1-CE3 4.27Å; V361-W368 PolarHBondContact N-O 3.1Å; V361-W368 PolarHBondContact O-N 3.23Å; K363-W368 HydrophobicContact CB-CH2 3.85Å; K363-W368 HydrophobicContact CB-CZ3 3.5Å; K363-W368 HydrophobicContact CD-CH2 4.11Å; K363-W368 HydrophobicContact CD-CZ3 4.43Å; W368-V370 HydrophobicContact CB-CG2 4.37Å; W368-V375 HydrophobicContact CB-CG1 4.38Å; W368-V375 HydrophobicContact CG-CG1 4.31Å; W368-P380 HydrophobicContact CD2-CB 4.21Å; W368-P380 HydrophobicContact CZ2-CB 3.78Å; W368-P380 HydrophobicContact CZ2-CG 4.09Å
369	R	91.5	Very high	87.4	Confident	58 Å²	58	52.2 Å²	52.2	22%	0.219	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.9	158.6	-73.9	166.4	72.5	-162.4	-2	108.8	E358 M359 F360 M376 Y379	E358-R369 IonicContact OE1-CZ 3.45Å; E358-R369 IonicContact OE1-NH2 2.84Å; E358-R369 PolarHBondContact OE1-NH2 3.21Å; E358-R369 IonicContact OE2-CZ 3.42Å; E358-R369 IonicContact OE2-NE 3.28Å; E358-R369 PolarHBondContact OE2-NE 2.93Å; E358-R369 IonicContact OE2-NH2 2.95Å; E358-R369 PolarHBondContact OE2-NH2 2.95Å; M359-R369 CarbonylContact O-C 3.55Å; M359-R369 WeakPolarHBondContact O-CA 3.43Å; F360-R369 HydrophobicContact CD1-CG 3.82Å; F360-R369 HydrophobicContact CE1-CG 3.45Å; F360-R369 VanDerWaalsContact CE1-CG 3.45Å; F360-R369 HydrophobicContact CE2-CG 4.27Å; F360-R369 HydrophobicContact CG-CG 4.4Å; F360-R369 HydrophobicContact CZ-CG 3.7Å; R369-M376 HydrophobicContact CB-CB 4.14Å; R369-M376 HydrophobicContact CB-CG 4.01Å; R369-M376 HydrophobicContact CB-SD 3.67Å; R369-M376 PolarHBondContact O-N 3.04Å; R369-Y379 HydrophobicContact CB-CD2 4.28Å; R369-Y379 HydrophobicContact CB-CE2 3.9Å; R369-Y379 VanDerWaalsContact CD-CZ 3.43Å; R369-Y379 WeakPolarHBondContact CD-OH 3.13Å; R369-Y379 HydrophobicContact CG-CE1 4.29Å; R369-Y379 HydrophobicContact CG-CE2 4.1Å
370	V	89.9	Confident	87.2	Confident	6 Å²	6	52.4 Å²	52.4	4%	0.036	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.8	-179.8	-176.4	0	0	0	0	108.5	I344 M359 V361 W368 R374 V375 F531 M532	I344-V370 HydrophobicContact CD1-CG2 3.76Å; M359-V370 HydrophobicContact CB-CB 4.25Å; M359-V370 WeakPolarHBondContact CB-O 3.41Å; M359-V370 HydrophobicContact CG-CB 4.49Å; M359-V370 PolarHBondContact N-O 3.37Å; M359-V370 PolarHBondContact O-N 2.91Å; V361-V370 HydrophobicContact CG2-CG2 3.92Å; W368-V370 HydrophobicContact CB-CG2 4.37Å; V370-R374 WeakPolarHBondContact CA-O 3.27Å; V370-V375 HydrophobicContact CG2-CG2 4.36Å; V370-F531 VanDerWaalsContact CG1-O 3.27Å; V370-F531 WeakPolarHBondContact CG1-O 3.39Å; V370-M532 HydrophobicContact CG2-SD 4.08Å
371	R	85.6	Confident	86.6	Confident	150 Å²	150	54.3 Å²	54.3	57%	0.566	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.3	134.4	178.9	-171.5	174.1	179	-174.1	-2.9	108.9	N373 R374 M376	R371-N373 PolarHBondContact O-N 3.13Å; R371-R374 PolarHBondContact N-O 3.1Å; R371-R374 PolarHBondContact O-N 2.79Å; R371-R374 VanDerWaalsContact O-O 3.1Å; R371-M376 HydrophobicContact CB-CG 4.45Å
372	N	81.8	Confident	86	Confident	146 Å²	146	57.9 Å²	57.9	78%	0.781	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	44.6	-179	-56.8	-15.6	0	0	0	112.7	R374	N372-R374 PolarHBondContact O-N 3Å; N372-R374 VanDerWaalsContact O-N 3.14Å
373	N	83.3	Confident	85.5	Confident	81 Å²	81	57.9 Å²	57.9	43%	0.433	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	18.1	-177.9	-56.2	-14.6	0	0	0	115.9	R371 D530 F531 G533	R371-N373 PolarHBondContact O-N 3.13Å; N373-D530 PolarHBondContact ND2-O 2.95Å; N373-D530 PolarHBondContact OD1-O 3Å; N373-D530 VanDerWaalsContact OD1-O 3.06Å; N373-F531 VanDerWaalsContact CA-O 3.29Å; N373-F531 WeakPolarHBondContact CA-O 3.45Å; N373-G533 VanDerWaalsContact O-CA 3.27Å; N373-G533 WeakPolarHBondContact O-CA 3.34Å; N373-G533 PolarHBondContact O-N 3.17Å
374	R	82.8	Confident	84.7	Confident	156 Å²	156	59.6 Å²	59.6	59%	0.589	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.8	175.8	-173.1	179.6	168.4	-137.2	-15.2	110.3	V370 R371 N372 M376 D377	V370-R374 WeakPolarHBondContact CA-O 3.27Å; R371-R374 PolarHBondContact N-O 3.1Å; R371-R374 PolarHBondContact O-N 2.79Å; R371-R374 VanDerWaalsContact O-O 3.1Å; N372-R374 PolarHBondContact O-N 3Å; N372-R374 VanDerWaalsContact O-N 3.14Å; R374-M376 PolarHBondContact O-N 3.22Å; R374-D377 IonicContact NH2-OD1 3.1Å; R374-D377 PolarHBondContact NH2-OD1 3.08Å; R374-D377 IonicContact NH2-OD2 2.99Å; R374-D377 PolarHBondContact NH2-OD2 2.8Å; R374-D377 VanDerWaalsContact NH2-OD2 3.14Å
375	V	85.9	Confident	84	Confident	33 Å²	33	62.1 Å²	62.1	20%	0.2	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	128.5	169.6	179.7	0	0	0	0	109.2	I344 W368 V370	I344-V375 HydrophobicContact CB-CG2 4.29Å; I344-V375 HydrophobicContact CD1-CG2 3.4Å; I344-V375 HydrophobicContact CG1-CG2 4.42Å; I344-V375 HydrophobicContact CG2-CG2 3.78Å; W368-V375 HydrophobicContact CB-CG1 4.38Å; W368-V375 HydrophobicContact CG-CG1 4.31Å; V370-V375 HydrophobicContact CG2-CG2 4.36Å
376	M	83.3	Confident	83.7	Confident	57 Å²	57	61 Å²	61	28%	0.281	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-66	148	174.8	-66.8	-169.7	68	0	0	111	R369 R371 R374 Y379	R369-M376 HydrophobicContact CB-CB 4.14Å; R369-M376 HydrophobicContact CB-CG 4.01Å; R369-M376 HydrophobicContact CB-SD 3.67Å; R369-M376 PolarHBondContact O-N 3.04Å; R371-M376 HydrophobicContact CB-CG 4.45Å; R374-M376 PolarHBondContact O-N 3.22Å; M376-Y379 HydrophobicContact CB-CD2 3.9Å; M376-Y379 HydrophobicContact CB-CE2 4.15Å; M376-Y379 WeakPolarHBondContact O-CD2 3.44Å
377	D	74.1	Confident	83.4	Confident	66 Å²	66	59.7 Å²	59.7	35%	0.353	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	150.3	-179.2	-63	-49.9	0	0	0	111.8	P214 R374 Y379	P214-D377 HydrophobicContact CB-CB 4.17Å; P214-D377 HydrophobicContact CG-CB 3.71Å; R374-D377 IonicContact NH2-OD1 3.1Å; R374-D377 PolarHBondContact NH2-OD1 3.08Å; R374-D377 IonicContact NH2-OD2 2.99Å; R374-D377 PolarHBondContact NH2-OD2 2.8Å; R374-D377 VanDerWaalsContact NH2-OD2 3.14Å; D377-Y379 VanDerWaalsContact C-N 3.35Å
378	G	71.4	Confident	82.8	Confident	66 Å²	66	67.3 Å²	67.3	68%	0.68	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	-3.2	-174.5	0	0	0	0	0	115.5
379	Y	80.9	Confident	82.2	Confident	35 Å²	35	69.1 Å²	69.1	14%	0.137	34%	0.341	C	S	.	.			trans	-100.9	151.4	176.2	-68.9	-81.8	0	0	0	112.5	F367 R369 M376 D377 M381	F367-Y379 HydrophobicContact CD2-CD1 4.47Å; F367-Y379 AromaticContact CD2-CE1 3.98Å; F367-Y379 HydrophobicContact CD2-CE1 3.98Å; F367-Y379 HydrophobicContact CE1-CE1 4.39Å; F367-Y379 HydrophobicContact CE2-CD1 4.3Å; F367-Y379 AromaticContact CE2-CE1 3.42Å; F367-Y379 HydrophobicContact CE2-CE1 3.42Å; F367-Y379 VanDerWaalsContact CE2-CE1 3.42Å; F367-Y379 AromaticContact CZ-CE1 3.66Å; F367-Y379 HydrophobicContact CZ-CE1 3.66Å; F367-Y379 VanDerWaalsContact O-CD1 3.31Å; F367-Y379 WeakPolarHBondContact O-CD1 3.29Å; R369-Y379 HydrophobicContact CB-CD2 4.28Å; R369-Y379 HydrophobicContact CB-CE2 3.9Å; R369-Y379 VanDerWaalsContact CD-CZ 3.43Å; R369-Y379 WeakPolarHBondContact CD-OH 3.13Å; R369-Y379 HydrophobicContact CG-CE1 4.29Å; R369-Y379 HydrophobicContact CG-CE2 4.1Å; M376-Y379 HydrophobicContact CB-CD2 3.9Å; M376-Y379 HydrophobicContact CB-CE2 4.15Å; M376-Y379 WeakPolarHBondContact O-CD2 3.44Å; D377-Y379 VanDerWaalsContact C-N 3.35Å; Y379-M381 HydrophobicContact CD1-CB 3.74Å; Y379-M381 HydrophobicContact CE1-CB 3.7Å
380	P	85.7	Confident	82.1	Confident	17 Å²	17	66.7 Å²	66.7	11%	0.11	33%	0.333	C	S	.	.	S	Bend	cis	-72.4	144.9	5.3	24.6	-29.6	0	0	0	114.1	K341 W366 F367 W368	K341-P380 HydrophobicContact CB-CG 4.05Å; K341-P380 HydrophobicContact CD-CG 4.35Å; K341-P380 HydrophobicContact CG-CG 4.41Å; W366-P380 HydrophobicContact CB-CB 4.02Å; W366-P380 HydrophobicContact CD2-CB 4.35Å; W366-P380 HydrophobicContact CE3-CB 3.96Å; W366-P380 HydrophobicContact CE3-CG 4.37Å; W366-P380 HydrophobicContact CG-CB 4.42Å; F367-P380 WeakPolarHBondContact O-CA 3.25Å; W368-P380 HydrophobicContact CD2-CB 4.21Å; W368-P380 HydrophobicContact CZ2-CB 3.78Å; W368-P380 HydrophobicContact CZ2-CG 4.09Å
381	M	82.8	Confident	82.1	Confident	51 Å²	51	67.5 Å²	67.5	25%	0.251	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	152.2	174.2	-174.1	173.6	-69.8	0	0	110.3	W366 F367 Y379 Y385 F386	W366-M381 CarbonylContact C-O 3.52Å; W366-M381 VanDerWaalsContact CA-O 3.29Å; W366-M381 WeakPolarHBondContact CA-O 3.28Å; F367-M381 HydrophobicContact CD1-CB 4.35Å; F367-M381 VanDerWaalsContact CD1-O 3.22Å; F367-M381 WeakPolarHBondContact CD1-O 3.3Å; F367-M381 HydrophobicContact CE1-CB 3.79Å; F367-M381 HydrophobicContact CE1-CG 4.01Å; F367-M381 HydrophobicContact CE1-SD 4.42Å; F367-M381 HydrophobicContact CZ-CB 4.16Å; F367-M381 HydrophobicContact CZ-CG 4.41Å; F367-M381 HydrophobicContact CZ-SD 4.31Å; F367-M381 PolarHBondContact N-O 2.92Å; F367-M381 PolarHBondContact O-N 3.39Å; Y379-M381 HydrophobicContact CD1-CB 3.74Å; Y379-M381 HydrophobicContact CE1-CB 3.7Å; M381-Y385 HydrophobicContact CG-CD1 4.15Å; M381-Y385 HydrophobicContact SD-CD1 3.86Å; M381-Y385 HydrophobicContact SD-CE1 4.28Å; M381-F386 HydrophobicContact SD-CB 4.06Å; M381-F386 HydrophobicContact SD-CD2 3.8Å; M381-F386 HydrophobicContact SD-CG 4.34Å
382	Q	82.3	Confident	82	Confident	75 Å²	75	63.9 Å²	63.9	35%	0.35	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	135	177.3	-69.5	-173.4	-12.4	0	0	111.7	Q365 W366 T384 Y385 F386	Q365-Q382 VanDerWaalsContact O-CA 3.32Å; Q365-Q382 WeakPolarHBondContact O-CA 3.42Å; W366-Q382 HydrophobicContact CD2-CG 4.31Å; W366-Q382 HydrophobicContact CE3-CG 3.75Å; W366-Q382 HydrophobicContact CH2-CG 3.81Å; W366-Q382 HydrophobicContact CZ2-CG 4.36Å; W366-Q382 HydrophobicContact CZ3-CG 3.48Å; W366-Q382 VanDerWaalsContact CZ3-CG 3.48Å; Q382-T384 PolarHBondContact O-N 3.13Å; Q382-Y385 WeakPolarHBondContact O-CB 3.33Å; Q382-Y385 PolarHBondContact O-N 2.97Å; Q382-Y385 VanDerWaalsContact O-N 3.16Å; Q382-F386 PolarHBondContact O-N 2.83Å
383	I	83.6	Confident	82.6	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-47.4	-179.2	-68.3	165.5	0	0	0	110.7	F362 Q365 F367 Y385 F386 W387 L390 P392	F362-I383 HydrophobicContact CD1-CD1 3.76Å; F362-I383 HydrophobicContact CD1-CG1 3.99Å; F362-I383 HydrophobicContact CE1-CG1 4.42Å; Q365-I383 PolarHBondContact O-N 2.81Å; F367-I383 HydrophobicContact CB-CG1 4.09Å; F367-I383 HydrophobicContact CD1-CG1 3.83Å; F367-I383 HydrophobicContact CG-CG1 4.36Å; I383-Y385 PolarHBondContact O-N 3.25Å; I383-F386 PolarHBondContact O-N 3.47Å; I383-W387 HydrophobicContact CG2-CE3 4.18Å; I383-W387 PolarHBondContact O-N 3.06Å; I383-L390 HydrophobicContact CG2-CB 4.49Å; I383-L390 HydrophobicContact CG2-CD2 3.61Å; I383-L390 HydrophobicContact CG2-CG 4.22Å; I383-P392 WeakPolarHBondContact CD1-O 3.25Å
384	T	77.8	Confident	83.1	Confident	59 Å²	59	54.6 Å²	54.6	36%	0.362	29%	0.287	S	S	.	.	H	α-helix	trans	-67.4	-18.6	-179.1	51.3	0	0	0	0	114	Q382 L390 P392	Q382-T384 PolarHBondContact O-N 3.13Å; T384-L390 WeakPolarHBondContact CG2-O 3.39Å; T384-P392 HydrophobicContact CG2-CB 4.33Å
385	Y	75.8	Confident	83.7	Confident	146 Å²	146	49.4 Å²	49.4	57%	0.573	27%	0.271	S	S	*	.	H	α-helix	trans	-78.5	-44.9	175.3	-180	-97	0	0	0	110.9	M381 Q382 I383	M381-Y385 HydrophobicContact CG-CD1 4.15Å; M381-Y385 HydrophobicContact SD-CD1 3.86Å; M381-Y385 HydrophobicContact SD-CE1 4.28Å; Q382-Y385 WeakPolarHBondContact O-CB 3.33Å; Q382-Y385 PolarHBondContact O-N 2.97Å; Q382-Y385 VanDerWaalsContact O-N 3.16Å; I383-Y385 PolarHBondContact O-N 3.25Å
386	F	79.9	Confident	84.2	Confident	46 Å²	46	47.9 Å²	47.9	20%	0.202	26%	0.261	C	S	.	.	H	α-helix	trans	-81.9	-46.6	-176.9	-168	-94.4	0	0	0	112.7	F367 M381 Q382 I383 T419	F367-F386 HydrophobicContact CE1-CB 3.64Å; F367-F386 HydrophobicContact CE1-CG 4.12Å; F367-F386 HydrophobicContact CE2-CD1 4.47Å; F367-F386 HydrophobicContact CZ-CB 3.62Å; F367-F386 AromaticContact CZ-CD1 3.79Å; F367-F386 HydrophobicContact CZ-CD1 3.79Å; F367-F386 HydrophobicContact CZ-CD2 4.04Å; F367-F386 HydrophobicContact CZ-CE1 4.44Å; F367-F386 AromaticContact CZ-CG 3.55Å; F367-F386 HydrophobicContact CZ-CG 3.55Å; M381-F386 HydrophobicContact SD-CB 4.06Å; M381-F386 HydrophobicContact SD-CD2 3.8Å; M381-F386 HydrophobicContact SD-CG 4.34Å; Q382-F386 PolarHBondContact O-N 2.83Å; I383-F386 PolarHBondContact O-N 3.47Å; F386-T419 HydrophobicContact CD1-CG2 4.07Å; F386-T419 HydrophobicContact CE1-CG2 3.5Å; F386-T419 HydrophobicContact CE2-CG2 4.34Å; F386-T419 HydrophobicContact CZ-CG2 3.66Å
387	W	85.3	Confident	84.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-105.1	87.5	174.1	-66.9	-75.5	0	0	0	110.5	F360 F362 F367 I383 G389 L390 F407 F416 D418	F360-W387 AromaticContact CD1-CH2 3.65Å; F360-W387 HydrophobicContact CD1-CH2 3.65Å; F360-W387 HydrophobicContact CD1-CZ2 4.16Å; F360-W387 AromaticContact CE1-CH2 3.75Å; F360-W387 HydrophobicContact CE1-CH2 3.75Å; F360-W387 AromaticContact CE1-CZ2 3.95Å; F360-W387 HydrophobicContact CE1-CZ2 3.95Å; F362-W387 HydrophobicContact CE1-CE3 4.23Å; F362-W387 AromaticContact CE1-CH2 3.76Å; F362-W387 HydrophobicContact CE1-CH2 3.76Å; F362-W387 AromaticContact CE1-CZ3 3.46Å; F362-W387 HydrophobicContact CE1-CZ3 3.46Å; F362-W387 VanDerWaalsContact CE1-CZ3 3.46Å; F362-W387 AromaticContact CZ-CH2 3.71Å; F362-W387 HydrophobicContact CZ-CH2 3.71Å; F362-W387 HydrophobicContact CZ-CZ2 4.48Å; F362-W387 AromaticContact CZ-CZ3 3.93Å; F362-W387 HydrophobicContact CZ-CZ3 3.93Å; F367-W387 AromaticContact CD1-CZ3 3.71Å; F367-W387 HydrophobicContact CD1-CZ3 3.71Å; F367-W387 AromaticContact CD2-CH2 3.79Å; F367-W387 HydrophobicContact CD2-CH2 3.79Å; F367-W387 AromaticContact CD2-CZ3 3.74Å; F367-W387 HydrophobicContact CD2-CZ3 3.74Å; F367-W387 HydrophobicContact CE1-CE3 4.23Å; F367-W387 HydrophobicContact CE1-CH2 4.36Å; F367-W387 AromaticContact CE1-CZ3 3.59Å; F367-W387 HydrophobicContact CE1-CZ3 3.59Å; F367-W387 AromaticContact CE2-CH2 3.52Å; F367-W387 HydrophobicContact CE2-CH2 3.52Å; F367-W387 AromaticContact CE2-CZ3 3.59Å; F367-W387 HydrophobicContact CE2-CZ3 3.59Å; F367-W387 HydrophobicContact CG-CH2 4.29Å; F367-W387 AromaticContact CG-CZ3 3.78Å; F367-W387 HydrophobicContact CG-CZ3 3.78Å; F367-W387 HydrophobicContact CZ-CE3 4.36Å; F367-W387 AromaticContact CZ-CH2 3.84Å; F367-W387 HydrophobicContact CZ-CH2 3.84Å; F367-W387 AromaticContact CZ-CZ3 3.52Å; F367-W387 HydrophobicContact CZ-CZ3 3.52Å; I383-W387 HydrophobicContact CG2-CE3 4.18Å; I383-W387 PolarHBondContact O-N 3.06Å; W387-G389 PolarHBondContact O-N 2.99Å; W387-L390 HydrophobicContact CB-CB 3.85Å; W387-L390 HydrophobicContact CB-CD2 3.81Å; W387-L390 HydrophobicContact CB-CG 4.48Å; W387-L390 HydrophobicContact CD2-CD2 4.38Å; W387-L390 HydrophobicContact CE3-CD2 4.4Å; W387-L390 HydrophobicContact CG-CD2 4.18Å; W387-L390 WeakPolarHBondContact O-CB 3.15Å; W387-L390 PolarHBondContact O-N 3.15Å; W387-L390 VanDerWaalsContact O-N 3.16Å; W387-F407 AromaticContact CD2-CZ 3.9Å; W387-F407 HydrophobicContact CD2-CZ 3.9Å; W387-F407 AromaticContact CE2-CZ 3.62Å; W387-F407 HydrophobicContact CG-CE2 4.43Å; W387-F407 HydrophobicContact CG-CZ 4.19Å; W387-F407 HydrophobicContact CZ2-CZ 4.01Å; W387-F407 AromaticContact NE1-CZ 3.74Å; W387-F416 HydrophobicContact CB-CD1 4.43Å; W387-F416 HydrophobicContact CB-CE1 3.86Å; W387-F416 HydrophobicContact CB-CZ 3.93Å; W387-F416 AromaticContact CD1-CD1 3.67Å; W387-F416 AromaticContact CD1-CE1 3.97Å; W387-F416 HydrophobicContact CG-CD1 4.43Å; W387-F416 HydrophobicContact CG-CE1 4.33Å; W387-D418 PolarHBondContact NE1-O 3.15Å
388	R	80.4	Confident	85.8	Confident	160 Å²	160	42.3 Å²	42.3	60%	0.604	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	125.8	179.2	-64.8	-174.5	-175	174.3	3.7	110.3	F416	R388-F416 WeakPolarHBondContact O-CZ 3.36Å
389	G	82.3	Confident	86.8	Confident	42 Å²	42	41.2 Å²	41.2	43%	0.433	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.6	-5.9	-179.3	0	0	0	0	0	115.1	W387 W414	W387-G389 PolarHBondContact O-N 2.99Å; G389-W414 PolarHBondContact O-NE1 2.95Å
390	L	88.4	Confident	87.3	Confident	7 Å²	7	40.2 Å²	40.2	4%	0.037	21%	0.206	C	C	.	.	S	Bend	trans	-82.4	144.8	171.6	-164.9	67.5	0	0	0	110.4	I383 T384 W387 I394 F407 W414 F416	I383-L390 HydrophobicContact CG2-CB 4.49Å; I383-L390 HydrophobicContact CG2-CD2 3.61Å; I383-L390 HydrophobicContact CG2-CG 4.22Å; T384-L390 WeakPolarHBondContact CG2-O 3.39Å; W387-L390 HydrophobicContact CB-CB 3.85Å; W387-L390 HydrophobicContact CB-CD2 3.81Å; W387-L390 HydrophobicContact CB-CG 4.48Å; W387-L390 HydrophobicContact CD2-CD2 4.38Å; W387-L390 HydrophobicContact CE3-CD2 4.4Å; W387-L390 HydrophobicContact CG-CD2 4.18Å; W387-L390 WeakPolarHBondContact O-CB 3.15Å; W387-L390 PolarHBondContact O-N 3.15Å; W387-L390 VanDerWaalsContact O-N 3.16Å; L390-I394 HydrophobicContact CD1-CG2 4.19Å; L390-I394 HydrophobicContact CD2-CG2 3.93Å; L390-I394 HydrophobicContact CG-CG2 4.01Å; L390-F407 HydrophobicContact CD1-CB 3.44Å; L390-F407 VanDerWaalsContact CD1-CB 3.44Å; L390-F407 HydrophobicContact CD1-CD1 4.2Å; L390-F407 HydrophobicContact CD1-CD2 4.02Å; L390-F407 HydrophobicContact CD1-CG 3.65Å; L390-F407 HydrophobicContact CD2-CB 4.44Å; L390-F407 HydrophobicContact CD2-CD1 3.63Å; L390-F407 HydrophobicContact CD2-CD2 4.19Å; L390-F407 HydrophobicContact CD2-CE1 3.78Å; L390-F407 HydrophobicContact CD2-CE2 4.31Å; L390-F407 HydrophobicContact CD2-CG 3.84Å; L390-F407 HydrophobicContact CD2-CZ 4.13Å; L390-F407 HydrophobicContact CG-CG 4.45Å; L390-W414 HydrophobicContact CD1-CB 3.94Å; L390-W414 HydrophobicContact CD1-CD2 3.97Å; L390-W414 HydrophobicContact CD1-CE3 4.26Å; L390-W414 HydrophobicContact CD1-CG 3.83Å; L390-F416 HydrophobicContact CB-CE2 4.11Å; L390-F416 HydrophobicContact CB-CZ 4.01Å; L390-F416 HydrophobicContact CD1-CE2 3.89Å; L390-F416 HydrophobicContact CG-CE2 4.47Å
391	P	90.9	Very high	87.4	Confident	24 Å²	24	42.4 Å²	42.4	16%	0.156	22%	0.222	C	C	.	.			trans	-61.7	159.6	174.9	24.9	-35	0	0	0	111.9	S393 I394 K409 W414	P391-S393 VanDerWaalsContact C-N 3.26Å; P391-S393 PolarHBondContact O-N 3Å; P391-I394 HydrophobicContact CG-CG2 4.47Å; P391-K409 HydrophobicContact CB-CG 4.28Å; P391-K409 HydrophobicContact CG-CB 3.74Å; P391-K409 HydrophobicContact CG-CG 3.85Å; P391-W414 HydrophobicContact CG-CH2 3.84Å; P391-W414 HydrophobicContact CG-CZ2 4.01Å; P391-W414 HydrophobicContact CG-CZ3 4.15Å
392	P	83.9	Confident	87.7	Confident	73 Å²	73	46 Å²	46	47%	0.474	24%	0.239	S	C	.	.	S	Bend	trans	-59.5	-36.6	-178	22.8	-32.7	0	0	0	112.2	Q365 I383 T384	Q365-P392 VanDerWaalsContact CA-O 3.24Å; Q365-P392 WeakPolarHBondContact CA-O 3.4Å; Q365-P392 HydrophobicContact CB-CB 4.21Å; I383-P392 WeakPolarHBondContact CD1-O 3.25Å; T384-P392 HydrophobicContact CG2-CB 4.33Å
393	S	92.8	Very high	88	Confident	31 Å²	31	42.9 Å²	42.9	22%	0.217	23%	0.226	C	C	.	.	S	Bend	trans	-123.5	153	172.7	61.3	0	0	0	0	111.2	D364 P391 K409	D364-S393 VanDerWaalsContact O-CA 3.3Å; D364-S393 WeakPolarHBondContact O-CA 3.25Å; D364-S393 WeakPolarHBondContact O-CB 3.33Å; P391-S393 VanDerWaalsContact C-N 3.26Å; P391-S393 PolarHBondContact O-N 3Å; S393-K409 VanDerWaalsContact O-CD 3.26Å; S393-K409 WeakPolarHBondContact O-CD 3.45Å; S393-K409 VanDerWaalsContact O-CE 3.26Å; S393-K409 WeakPolarHBondContact O-CE 3.41Å; S393-K409 WeakPolarHBondContact OG-CE 3.41Å; S393-K409 PolarHBondContact OG-NZ 2.76Å
394	I	95.6	Very high	88.5	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.23	C	C	.	.			trans	-123	158.6	178.6	60.4	169.3	0	0	0	110.5	N350 T351 F362 L390 P391 V397 F407	N350-I394 WeakPolarHBondContact CB-O 3.37Å; T351-I394 HydrophobicContact CG2-CD1 3.79Å; T351-I394 HydrophobicContact CG2-CG1 3.97Å; F362-I394 HydrophobicContact CB-CD1 4.17Å; F362-I394 HydrophobicContact CB-CG1 4.14Å; F362-I394 HydrophobicContact CD1-CD1 3.5Å; F362-I394 HydrophobicContact CD1-CG1 4.04Å; F362-I394 HydrophobicContact CD2-CD1 3.89Å; F362-I394 HydrophobicContact CE1-CD1 3.74Å; F362-I394 HydrophobicContact CE2-CD1 4.1Å; F362-I394 HydrophobicContact CG-CD1 3.59Å; F362-I394 HydrophobicContact CG-CG1 4.09Å; F362-I394 HydrophobicContact CZ-CD1 4.04Å; L390-I394 HydrophobicContact CD1-CG2 4.19Å; L390-I394 HydrophobicContact CD2-CG2 3.93Å; L390-I394 HydrophobicContact CG-CG2 4.01Å; P391-I394 HydrophobicContact CG-CG2 4.47Å; I394-V397 HydrophobicContact CD1-CB 4.11Å; I394-V397 HydrophobicContact CD1-CG1 4.03Å; I394-F407 HydrophobicContact CD1-CD1 3.63Å; I394-F407 HydrophobicContact CD1-CE1 4Å; I394-F407 HydrophobicContact CG2-CD1 4.21Å
395	D	94.9	Very high	89.4	Confident	48 Å²	48	41.2 Å²	41.2	26%	0.257	22%	0.215	S	C	.	.	S	Bend	trans	-100.3	-40.8	179	-56.7	-26.3	0	0	0	111.2	T351 F408 K409 G410	T351-D395 WeakPolarHBondContact CB-O 3.32Å; D395-F408 PolarHBondContact N-O 2.96Å; D395-K409 VanDerWaalsContact OD1-CD 3.28Å; D395-K409 WeakPolarHBondContact OD1-CD 3.42Å; D395-K409 IonicContact OD1-NZ 2.76Å; D395-K409 PolarHBondContact OD1-NZ 3.36Å; D395-K409 WeakPolarHBondContact OD2-CA 3.45Å; D395-K409 WeakPolarHBondContact OD2-CD 3.4Å; D395-G410 PolarHBondContact OD2-N 2.86Å
396	A	95.7	Very high	90.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	157.3	177.5	0	0	0	0	0	111.3	F408 I441 A444	A396-F408 HydrophobicContact CB-CB 4.3Å; A396-F408 HydrophobicContact CB-CD2 4.06Å; A396-F408 PolarHBondContact O-N 3.41Å; A396-I441 HydrophobicContact CB-CG2 3.99Å; A396-A444 HydrophobicContact CB-CB 4.47Å
397	V	96.3	Very high	91.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	145.4	174.1	58	0	0	0	0	110.8	T351 A353 L355 F362 I394 V406 F407	T351-V397 HydrophobicContact CG2-CG1 4.05Å; A353-V397 HydrophobicContact CB-CG1 3.74Å; L355-V397 HydrophobicContact CD1-CG2 4.11Å; L355-V397 HydrophobicContact CD2-CG2 4.18Å; F362-V397 HydrophobicContact CD2-CG1 4.22Å; F362-V397 HydrophobicContact CE2-CG1 3.74Å; F362-V397 HydrophobicContact CZ-CG1 4.38Å; I394-V397 HydrophobicContact CD1-CB 4.11Å; I394-V397 HydrophobicContact CD1-CG1 4.03Å; V397-V406 VanDerWaalsContact CA-O 3.29Å; V397-V406 WeakPolarHBondContact CA-O 3.14Å; V397-F407 HydrophobicContact CB-CD1 3.71Å; V397-F407 HydrophobicContact CB-CE1 4.01Å; V397-F407 HydrophobicContact CB-CG 4.42Å; V397-F407 HydrophobicContact CG2-CD1 3.44Å; V397-F407 VanDerWaalsContact CG2-CD1 3.44Å; V397-F407 HydrophobicContact CG2-CD2 4.39Å; V397-F407 HydrophobicContact CG2-CE1 3.43Å; V397-F407 VanDerWaalsContact CG2-CE1 3.43Å; V397-F407 HydrophobicContact CG2-CE2 4.39Å; V397-F407 HydrophobicContact CG2-CG 3.96Å; V397-F407 HydrophobicContact CG2-CZ 3.93Å
398	Y	94.8	Very high	91.6	Very high	6 Å²	6	32.2 Å²	32.2	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	162.9	169.9	76	-73.6	0	0	0	111.6	N400 F405 V406 F408 A444 W446 T453 F455 E466	Y398-N400 HydrophobicContact CD2-CB 4.47Å; Y398-N400 HydrophobicContact CE2-CB 3.72Å; Y398-F405 WeakPolarHBondContact O-CA 3.32Å; Y398-V406 HydrophobicContact CD1-CB 3.84Å; Y398-V406 HydrophobicContact CD1-CG1 4.43Å; Y398-V406 HydrophobicContact CE1-CB 3.39Å; Y398-V406 HydrophobicContact CE1-CG1 3.67Å; Y398-V406 HydrophobicContact CE1-CG2 3.92Å; Y398-V406 HydrophobicContact CE2-CG2 4.44Å; Y398-V406 PolarHBondContact N-O 3.29Å; Y398-V406 VanDerWaalsContact N-O 3.12Å; Y398-V406 PolarHBondContact O-N 3.47Å; Y398-F408 AromaticContact CD1-CE2 3.69Å; Y398-F408 HydrophobicContact CD1-CE2 3.69Å; Y398-F408 HydrophobicContact CD1-CZ 4.39Å; Y398-F408 AromaticContact CE1-CE2 3.52Å; Y398-F408 HydrophobicContact CE1-CE2 3.52Å; Y398-F408 AromaticContact CE1-CZ 3.75Å; Y398-F408 HydrophobicContact CE1-CZ 3.75Å; Y398-A444 HydrophobicContact CD1-CB 3.58Å; Y398-A444 HydrophobicContact CE1-CB 4.33Å; Y398-A444 HydrophobicContact CG-CB 4.04Å; Y398-W446 HydrophobicContact CD2-CB 3.98Å; Y398-T453 HydrophobicContact CD2-CG2 3.93Å; Y398-T453 HydrophobicContact CE1-CG2 4.13Å; Y398-T453 HydrophobicContact CE2-CG2 3.43Å; Y398-T453 VanDerWaalsContact CE2-CG2 3.43Å; Y398-T453 HydrophobicContact CG-CG2 4.47Å; Y398-F455 HydrophobicContact CD1-CE1 4.28Å; Y398-F455 AromaticContact CE1-CE1 3.67Å; Y398-F455 HydrophobicContact CE1-CE1 3.67Å; Y398-F455 HydrophobicContact CE1-CZ 4.11Å; Y398-E466 WeakPolarHBondContact CE2-OE1 3.38Å; Y398-E466 PolarHBondContact OH-OE1 3.49Å
399	E	93	Very high	92.3	Very high	43 Å²	43	27.4 Å²	27.4	20%	0.201	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.9	168.9	-176.1	173.5	-177.6	0	0	108.9	L355 R356 N404 F405 W446	L355-E399 HydrophobicContact CD2-CB 4.06Å; R356-E399 IonicContact CZ-OE1 3.18Å; R356-E399 PolarHBondContact N-OE2 3.14Å; R356-E399 IonicContact NE-OE1 3.44Å; R356-E399 IonicContact NH1-OE1 3.09Å; R356-E399 PolarHBondContact NH1-OE1 2.82Å; E399-N404 CarbonylContact C-O 3.58Å; E399-N404 WeakPolarHBondContact CA-O 3.18Å; E399-F405 HydrophobicContact CB-CD1 4.24Å; E399-F405 HydrophobicContact CG-CD1 4.18Å; E399-F405 HydrophobicContact CG-CE1 4.24Å; E399-W446 WeakPolarHBondContact O-CB 3.02Å
400	N	91.4	Very high	92.8	Very high	13 Å²	13	26.9 Å²	26.9	7%	0.07	16%	0.156	C	C	.	.			trans	-82.2	179.5	-178.8	79.4	-7.5	0	0	0	112.6	Y398 E402 G403 N404 V406	Y398-N400 HydrophobicContact CD2-CB 4.47Å; Y398-N400 HydrophobicContact CE2-CB 3.72Å; N400-E402 PolarHBondContact O-N 2.91Å; N400-E402 VanDerWaalsContact O-N 3.15Å; N400-E402 WeakPolarHBondContact OD1-CB 3.42Å; N400-E402 PolarHBondContact OD1-N 3.29Å; N400-E402 VanDerWaalsContact OD1-N 3.07Å; N400-G403 PolarHBondContact O-N 3.08Å; N400-G403 PolarHBondContact OD1-N 3.34Å; N400-N404 PolarHBondContact N-O 3.28Å; N400-N404 WeakPolarHBondContact OD1-CA 3.37Å; N400-N404 WeakPolarHBondContact OD1-CB 3.38Å; N400-N404 PolarHBondContact OD1-N 2.93Å; N400-N404 PolarHBondContact OD1-O 3.41Å; N400-V406 HydrophobicContact CB-CG2 4.05Å
401	S	88.2	Confident	93	Very high	63 Å²	63	30.9 Å²	30.9	44%	0.441	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.6	-179.6	59.7	0	0	0	0	114.7	G403 W446	S401-G403 VanDerWaalsContact C-N 3.31Å; S401-W446 VanDerWaalsContact CB-CZ2 3.45Å
402	E	88.9	Confident	93.2	Very high	128 Å²	128	32.6 Å²	32.6	60%	0.598	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-2.4	177.9	-60.3	174.4	172	0	0	112.2	N400 N404	N400-E402 PolarHBondContact O-N 2.91Å; N400-E402 VanDerWaalsContact O-N 3.15Å; N400-E402 WeakPolarHBondContact OD1-CB 3.42Å; N400-E402 PolarHBondContact OD1-N 3.29Å; N400-E402 VanDerWaalsContact OD1-N 3.07Å; E402-N404 VanDerWaalsContact C-N 3.33Å; E402-N404 PolarHBondContact OE2-ND2 3.11Å
403	G	88.8	Confident	93.7	Very high	9 Å²	9	29.4 Å²	29.4	9%	0.093	16%	0.162	C	C	.	.	S	Bend	trans	76.1	19.9	-175.3	0	0	0	0	0	113.8	R356 N400 S401	R356-G403 VanDerWaalsContact CZ-O 3.25Å; R356-G403 PolarHBondContact NH1-O 3.36Å; R356-G403 PolarHBondContact NH2-O 3.12Å; N400-G403 PolarHBondContact O-N 3.08Å; N400-G403 PolarHBondContact OD1-N 3.34Å; S401-G403 VanDerWaalsContact C-N 3.31Å
404	N	94.3	Very high	93.9	Very high	15 Å²	15	28.8 Å²	28.8	8%	0.08	15%	0.154	C	C	.	.			trans	-91.1	144.4	173.7	-63.6	-43.8	0	0	0	110	E399 N400 E402 V415 F416 K417	E399-N404 CarbonylContact C-O 3.58Å; E399-N404 WeakPolarHBondContact CA-O 3.18Å; N400-N404 PolarHBondContact N-O 3.28Å; N400-N404 WeakPolarHBondContact OD1-CA 3.37Å; N400-N404 WeakPolarHBondContact OD1-CB 3.38Å; N400-N404 PolarHBondContact OD1-N 2.93Å; N400-N404 PolarHBondContact OD1-O 3.41Å; E402-N404 VanDerWaalsContact C-N 3.33Å; E402-N404 PolarHBondContact OE2-ND2 3.11Å; N404-V415 HydrophobicContact CB-CG1 3.7Å; N404-F416 CarbonylContact C-O 3.55Å; N404-F416 VanDerWaalsContact CA-O 3.31Å; N404-F416 WeakPolarHBondContact CA-O 3.22Å; N404-F416 WeakPolarHBondContact CB-O 3.2Å; N404-K417 WeakPolarHBondContact OD1-CB 3.41Å
405	F	95.2	Very high	93.9	Very high	9 Å²	9	29.2 Å²	29.2	4%	0.039	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.8	175.7	-50.1	-25.4	0	0	0	109.8	L355 R356 Y398 E399 F407 V415 F416 D418	L355-F405 HydrophobicContact CB-CD1 4.22Å; L355-F405 HydrophobicContact CB-CE1 3.88Å; L355-F405 HydrophobicContact CB-CZ 4.05Å; L355-F405 HydrophobicContact CD1-CD1 4.43Å; L355-F405 HydrophobicContact CD1-CD2 4.23Å; L355-F405 HydrophobicContact CD1-CG 4.2Å; L355-F405 HydrophobicContact CD2-CD1 3.99Å; L355-F405 HydrophobicContact CD2-CE1 4.46Å; L355-F405 HydrophobicContact CD2-CG 4.39Å; L355-F405 HydrophobicContact CG-CD1 4.44Å; R356-F405 HydrophobicContact CG-CE1 3.8Å; R356-F405 HydrophobicContact CG-CZ 3.53Å; Y398-F405 WeakPolarHBondContact O-CA 3.32Å; E399-F405 HydrophobicContact CB-CD1 4.24Å; E399-F405 HydrophobicContact CG-CD1 4.18Å; E399-F405 HydrophobicContact CG-CE1 4.24Å; F405-F407 HydrophobicContact CB-CD2 4.26Å; F405-F407 HydrophobicContact CB-CE2 3.6Å; F405-F407 HydrophobicContact CB-CZ 4.12Å; F405-F407 HydrophobicContact CD2-CE2 4.47Å; F405-V415 CarbonylContact O-C 3.54Å; F405-V415 WeakPolarHBondContact O-CA 3.43Å; F405-F416 HydrophobicContact CB-CB 4.36Å; F405-F416 PolarHBondContact N-O 3.47Å; F405-F416 PolarHBondContact O-N 3.35Å; F405-D418 VanDerWaalsContact CD2-O 3.23Å; F405-D418 WeakPolarHBondContact CD2-O 3.16Å; F405-D418 VanDerWaalsContact CE2-O 3.29Å; F405-D418 WeakPolarHBondContact CE2-O 3.43Å
406	V	95.8	Very high	93.9	Very high	3 Å²	3	27 Å²	27	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	112.2	-179.7	-172.6	0	0	0	0	108.2	V397 Y398 N400 F408 F413 W414 V415	V397-V406 VanDerWaalsContact CA-O 3.29Å; V397-V406 WeakPolarHBondContact CA-O 3.14Å; Y398-V406 HydrophobicContact CD1-CB 3.84Å; Y398-V406 HydrophobicContact CD1-CG1 4.43Å; Y398-V406 HydrophobicContact CE1-CB 3.39Å; Y398-V406 HydrophobicContact CE1-CG1 3.67Å; Y398-V406 HydrophobicContact CE1-CG2 3.92Å; Y398-V406 HydrophobicContact CE2-CG2 4.44Å; Y398-V406 PolarHBondContact N-O 3.29Å; Y398-V406 VanDerWaalsContact N-O 3.12Å; Y398-V406 PolarHBondContact O-N 3.47Å; N400-V406 HydrophobicContact CB-CG2 4.05Å; V406-F408 HydrophobicContact CG1-CE1 4.22Å; V406-F408 HydrophobicContact CG1-CE2 3.97Å; V406-F408 HydrophobicContact CG1-CZ 3.65Å; V406-F413 HydrophobicContact CG1-CD2 3.96Å; V406-W414 CarbonylContact C-O 3.52Å; V406-W414 WeakPolarHBondContact CA-O 3.38Å; V406-V415 HydrophobicContact CG1-CG2 4.25Å; V406-V415 HydrophobicContact CG2-CG2 4.15Å
407	F	96.8	Very high	93.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	141.4	-179.4	-64.1	-92	0	0	0	110.8	F362 W387 L390 I394 V397 F405 F413 W414 F416	F362-F407 HydrophobicContact CE1-CE1 4.12Å; F362-F407 AromaticContact CZ-CE1 3.92Å; F362-F407 HydrophobicContact CZ-CE1 3.92Å; W387-F407 AromaticContact CD2-CZ 3.9Å; W387-F407 HydrophobicContact CD2-CZ 3.9Å; W387-F407 AromaticContact CE2-CZ 3.62Å; W387-F407 HydrophobicContact CG-CE2 4.43Å; W387-F407 HydrophobicContact CG-CZ 4.19Å; W387-F407 HydrophobicContact CZ2-CZ 4.01Å; W387-F407 AromaticContact NE1-CZ 3.74Å; L390-F407 HydrophobicContact CD1-CB 3.44Å; L390-F407 VanDerWaalsContact CD1-CB 3.44Å; L390-F407 HydrophobicContact CD1-CD1 4.2Å; L390-F407 HydrophobicContact CD1-CD2 4.02Å; L390-F407 HydrophobicContact CD1-CG 3.65Å; L390-F407 HydrophobicContact CD2-CB 4.44Å; L390-F407 HydrophobicContact CD2-CD1 3.63Å; L390-F407 HydrophobicContact CD2-CD2 4.19Å; L390-F407 HydrophobicContact CD2-CE1 3.78Å; L390-F407 HydrophobicContact CD2-CE2 4.31Å; L390-F407 HydrophobicContact CD2-CG 3.84Å; L390-F407 HydrophobicContact CD2-CZ 4.13Å; L390-F407 HydrophobicContact CG-CG 4.45Å; I394-F407 HydrophobicContact CD1-CD1 3.63Å; I394-F407 HydrophobicContact CD1-CE1 4Å; I394-F407 HydrophobicContact CG2-CD1 4.21Å; V397-F407 HydrophobicContact CB-CD1 3.71Å; V397-F407 HydrophobicContact CB-CE1 4.01Å; V397-F407 HydrophobicContact CB-CG 4.42Å; V397-F407 HydrophobicContact CG2-CD1 3.44Å; V397-F407 VanDerWaalsContact CG2-CD1 3.44Å; V397-F407 HydrophobicContact CG2-CD2 4.39Å; V397-F407 HydrophobicContact CG2-CE1 3.43Å; V397-F407 VanDerWaalsContact CG2-CE1 3.43Å; V397-F407 HydrophobicContact CG2-CE2 4.39Å; V397-F407 HydrophobicContact CG2-CG 3.96Å; V397-F407 HydrophobicContact CG2-CZ 3.93Å; F405-F407 HydrophobicContact CB-CD2 4.26Å; F405-F407 HydrophobicContact CB-CE2 3.6Å; F405-F407 HydrophobicContact CB-CZ 4.12Å; F405-F407 HydrophobicContact CD2-CE2 4.47Å; F407-F413 CarbonylContact O-C 3.52Å; F407-F413 WeakPolarHBondContact O-CA 3.26Å; F407-F413 WeakPolarHBondContact O-CB 3.15Å; F407-W414 HydrophobicContact CB-CB 4.43Å; F407-W414 PolarHBondContact N-O 3.21Å; F407-W414 PolarHBondContact O-N 3.33Å; F407-F416 AromaticContact CD2-CD2 3.64Å; F407-F416 HydrophobicContact CD2-CD2 3.64Å; F407-F416 HydrophobicContact CD2-CE2 4.22Å; F407-F416 HydrophobicContact CD2-CG 4.39Å; F407-F416 HydrophobicContact CE2-CB 4.12Å; F407-F416 AromaticContact CE2-CD2 3.79Å; F407-F416 HydrophobicContact CE2-CD2 3.79Å; F407-F416 HydrophobicContact CE2-CE2 4.49Å; F407-F416 HydrophobicContact CE2-CG 4.11Å
408	F	95.9	Very high	93.1	Very high	1 Å²	1	35 Å²	35	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.9	178.2	-61.6	-78.3	0	0	0	111.5	D395 A396 Y398 V406 F413 L429 L432 I441 A444 F455	D395-F408 PolarHBondContact N-O 2.96Å; A396-F408 HydrophobicContact CB-CB 4.3Å; A396-F408 HydrophobicContact CB-CD2 4.06Å; A396-F408 PolarHBondContact O-N 3.41Å; Y398-F408 AromaticContact CD1-CE2 3.69Å; Y398-F408 HydrophobicContact CD1-CE2 3.69Å; Y398-F408 HydrophobicContact CD1-CZ 4.39Å; Y398-F408 AromaticContact CE1-CE2 3.52Å; Y398-F408 HydrophobicContact CE1-CE2 3.52Å; Y398-F408 AromaticContact CE1-CZ 3.75Å; Y398-F408 HydrophobicContact CE1-CZ 3.75Å; V406-F408 HydrophobicContact CG1-CE1 4.22Å; V406-F408 HydrophobicContact CG1-CE2 3.97Å; V406-F408 HydrophobicContact CG1-CZ 3.65Å; F408-F413 HydrophobicContact CD1-CB 3.49Å; F408-F413 VanDerWaalsContact CD1-CB 3.49Å; F408-F413 HydrophobicContact CE1-CB 3.57Å; F408-F413 HydrophobicContact CE1-CG 4.22Å; F408-F413 HydrophobicContact CG-CB 4.46Å; F408-L429 HydrophobicContact CD1-CD1 3.72Å; F408-L429 HydrophobicContact CE1-CD1 3.55Å; F408-L432 HydrophobicContact CE1-CD2 4.08Å; F408-L432 HydrophobicContact CZ-CD2 4.16Å; F408-I441 HydrophobicContact CD1-CD1 3.7Å; F408-I441 HydrophobicContact CD2-CD1 4.31Å; F408-I441 HydrophobicContact CE1-CD1 3.55Å; F408-I441 HydrophobicContact CE2-CD1 4.14Å; F408-I441 HydrophobicContact CG-CB 4.35Å; F408-I441 HydrophobicContact CG-CD1 4.08Å; F408-I441 HydrophobicContact CZ-CD1 3.77Å; F408-A444 HydrophobicContact CD2-CB 4.47Å; F408-A444 HydrophobicContact CE2-CB 4.04Å; F408-F455 HydrophobicContact CE2-CD1 4.38Å; F408-F455 AromaticContact CE2-CE1 3.78Å; F408-F455 HydrophobicContact CE2-CE1 3.78Å; F408-F455 HydrophobicContact CZ-CD1 4.37Å; F408-F455 AromaticContact CZ-CE1 3.57Å; F408-F455 HydrophobicContact CZ-CE1 3.57Å; F408-F455 HydrophobicContact CZ-CZ 4Å
409	K	94.9	Very high	92.6	Very high	59 Å²	59	37.5 Å²	37.5	26%	0.257	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	117.2	168.8	-175.1	55.4	166.1	-171.3	0	110.2	P391 S393 D395 N411 K412 W414	P391-K409 HydrophobicContact CB-CG 4.28Å; P391-K409 HydrophobicContact CG-CB 3.74Å; P391-K409 HydrophobicContact CG-CG 3.85Å; S393-K409 VanDerWaalsContact O-CD 3.26Å; S393-K409 WeakPolarHBondContact O-CD 3.45Å; S393-K409 VanDerWaalsContact O-CE 3.26Å; S393-K409 WeakPolarHBondContact O-CE 3.41Å; S393-K409 WeakPolarHBondContact OG-CE 3.41Å; S393-K409 PolarHBondContact OG-NZ 2.76Å; D395-K409 VanDerWaalsContact OD1-CD 3.28Å; D395-K409 WeakPolarHBondContact OD1-CD 3.42Å; D395-K409 IonicContact OD1-NZ 2.76Å; D395-K409 PolarHBondContact OD1-NZ 3.36Å; D395-K409 WeakPolarHBondContact OD2-CA 3.45Å; D395-K409 WeakPolarHBondContact OD2-CD 3.4Å; K409-N411 PolarHBondContact O-N 3.4Å; K409-K412 PolarHBondContact N-O 2.92Å; K409-K412 PolarHBondContact O-N 3.22Å; K409-K412 VanDerWaalsContact O-N 3.07Å; K409-W414 HydrophobicContact CB-CH2 4.02Å; K409-W414 HydrophobicContact CB-CZ3 3.65Å
410	G	92.6	Very high	92.4	Very high	30 Å²	30	39.7 Å²	39.7	31%	0.309	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	-126.1	-175.7	0	0	0	0	0	111.2	D395 K412 G440	D395-G410 PolarHBondContact OD2-N 2.86Å; G410-K412 VanDerWaalsContact C-N 3.33Å; G410-G440 WeakPolarHBondContact O-CA 3.12Å
411	N	92.2	Very high	92.5	Very high	91 Å²	91	41.3 Å²	41.3	49%	0.487	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	15.9	179.5	71	-25.1	0	0	0	114	K409 D428 L429	K409-N411 PolarHBondContact O-N 3.4Å; N411-D428 WeakPolarHBondContact O-CA 3.33Å; N411-L429 WeakPolarHBondContact O-CB 3.5Å; N411-L429 PolarHBondContact O-N 2.95Å
412	K	94.3	Very high	92.8	Very high	61 Å²	61	40.9 Å²	40.9	27%	0.265	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	155.2	-177.8	-70.7	-176.2	-174.6	-64.4	0	111.7	K409 G410 W414 P426 H427 D428	K409-K412 PolarHBondContact N-O 2.92Å; K409-K412 PolarHBondContact O-N 3.22Å; K409-K412 VanDerWaalsContact O-N 3.07Å; G410-K412 VanDerWaalsContact C-N 3.33Å; K412-W414 HydrophobicContact CB-CH2 3.56Å; K412-W414 HydrophobicContact CB-CZ2 4.42Å; K412-W414 HydrophobicContact CB-CZ3 3.63Å; K412-W414 HydrophobicContact CD-CH2 4.36Å; K412-W414 WeakPolarHBondContact O-CZ3 3.25Å; K412-P426 HydrophobicContact CB-CB 4.42Å; K412-P426 HydrophobicContact CD-CB 4.45Å; K412-P426 HydrophobicContact CD-CG 4.43Å; K412-H427 WeakPolarHBondContact CA-O 3.26Å; K412-D428 IonicContact NZ-OD1 2.87Å; K412-D428 PolarHBondContact NZ-OD1 2.9Å
413	F	95.4	Very high	92.9	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.022	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.3	172.2	77.8	-76.5	0	0	0	112	V406 F407 F408 V415 Y425 P426 H427 L429 T431 L432	V406-F413 HydrophobicContact CG1-CD2 3.96Å; F407-F413 CarbonylContact O-C 3.52Å; F407-F413 WeakPolarHBondContact O-CA 3.26Å; F407-F413 WeakPolarHBondContact O-CB 3.15Å; F408-F413 HydrophobicContact CD1-CB 3.49Å; F408-F413 VanDerWaalsContact CD1-CB 3.49Å; F408-F413 HydrophobicContact CE1-CB 3.57Å; F408-F413 HydrophobicContact CE1-CG 4.22Å; F408-F413 HydrophobicContact CG-CB 4.46Å; F413-V415 HydrophobicContact CD2-CG2 4.01Å; F413-V415 HydrophobicContact CE2-CG2 3.88Å; F413-Y425 HydrophobicContact CD2-CD1 4.38Å; F413-Y425 AromaticContact CD2-CE1 3.92Å; F413-Y425 HydrophobicContact CD2-CE1 3.92Å; F413-Y425 HydrophobicContact CE2-CD1 4.17Å; F413-Y425 AromaticContact CE2-CE1 3.33Å; F413-Y425 HydrophobicContact CE2-CE1 3.33Å; F413-Y425 AromaticContact CZ-CE1 3.72Å; F413-Y425 HydrophobicContact CZ-CE1 3.72Å; F413-P426 VanDerWaalsContact O-CA 3.26Å; F413-P426 WeakPolarHBondContact O-CA 3.39Å; F413-P426 WeakPolarHBondContact O-CB 3.34Å; F413-H427 HydrophobicContact CD1-CB 4.19Å; F413-H427 WeakPolarHBondContact CD1-O 3.5Å; F413-H427 HydrophobicContact CE1-CB 3.55Å; F413-H427 HydrophobicContact CZ-CB 3.95Å; F413-H427 PolarHBondContact N-O 3.09Å; F413-H427 PolarHBondContact O-N 2.83Å; F413-H427 VanDerWaalsContact O-N 3.09Å; F413-L429 HydrophobicContact CD1-CD1 4.43Å; F413-T431 WeakPolarHBondContact CE1-OG1 3.37Å; F413-L432 HydrophobicContact CD2-CD1 4.26Å; F413-L432 HydrophobicContact CE1-CB 4.01Å; F413-L432 HydrophobicContact CE1-CD1 4.37Å; F413-L432 HydrophobicContact CE2-CD1 3.58Å; F413-L432 HydrophobicContact CZ-CB 4.07Å; F413-L432 HydrophobicContact CZ-CD1 3.66Å; F413-L432 HydrophobicContact CZ-CG 4.45Å
414	W	96.9	Very high	92.9	Very high	18 Å²	18	42.6 Å²	42.6	7%	0.068	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.8	178.8	-64.6	-112.9	0	0	0	108.4	G389 L390 P391 V406 F407 K409 K412 F416 L421 P426	G389-W414 PolarHBondContact O-NE1 2.95Å; L390-W414 HydrophobicContact CD1-CB 3.94Å; L390-W414 HydrophobicContact CD1-CD2 3.97Å; L390-W414 HydrophobicContact CD1-CE3 4.26Å; L390-W414 HydrophobicContact CD1-CG 3.83Å; P391-W414 HydrophobicContact CG-CH2 3.84Å; P391-W414 HydrophobicContact CG-CZ2 4.01Å; P391-W414 HydrophobicContact CG-CZ3 4.15Å; V406-W414 CarbonylContact C-O 3.52Å; V406-W414 WeakPolarHBondContact CA-O 3.38Å; F407-W414 HydrophobicContact CB-CB 4.43Å; F407-W414 PolarHBondContact N-O 3.21Å; F407-W414 PolarHBondContact O-N 3.33Å; K409-W414 HydrophobicContact CB-CH2 4.02Å; K409-W414 HydrophobicContact CB-CZ3 3.65Å; K412-W414 HydrophobicContact CB-CH2 3.56Å; K412-W414 HydrophobicContact CB-CZ2 4.42Å; K412-W414 HydrophobicContact CB-CZ3 3.63Å; K412-W414 HydrophobicContact CD-CH2 4.36Å; K412-W414 WeakPolarHBondContact O-CZ3 3.25Å; W414-F416 HydrophobicContact CB-CD2 4.05Å; W414-F416 HydrophobicContact CB-CE2 3.72Å; W414-F416 HydrophobicContact CG-CE2 4.29Å; W414-L421 HydrophobicContact CB-CD1 4.1Å; W414-L421 HydrophobicContact CG-CD1 4.36Å; W414-P426 HydrophobicContact CD2-CB 3.71Å; W414-P426 HydrophobicContact CD2-CG 4.49Å; W414-P426 HydrophobicContact CE3-CB 4.36Å; W414-P426 HydrophobicContact CG-CB 3.99Å; W414-P426 HydrophobicContact CH2-CB 4.28Å; W414-P426 HydrophobicContact CZ2-CB 3.67Å; W414-P426 HydrophobicContact CZ2-CG 3.76Å
415	V	96.3	Very high	92.8	Very high	11 Å²	11	45 Å²	45	7%	0.067	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.4	171.6	-179	0	0	0	0	108.5	N404 F405 V406 F413 Q422 Y425	N404-V415 HydrophobicContact CB-CG1 3.7Å; F405-V415 CarbonylContact O-C 3.54Å; F405-V415 WeakPolarHBondContact O-CA 3.43Å; V406-V415 HydrophobicContact CG1-CG2 4.25Å; V406-V415 HydrophobicContact CG2-CG2 4.15Å; F413-V415 HydrophobicContact CD2-CG2 4.01Å; F413-V415 HydrophobicContact CE2-CG2 3.88Å; V415-Q422 HydrophobicContact CB-CB 4.5Å; V415-Q422 HydrophobicContact CB-CG 4.45Å; V415-Q422 HydrophobicContact CG1-CG 4.05Å; V415-Q422 WeakPolarHBondContact O-CB 3.21Å; V415-Q422 WeakPolarHBondContact O-CG 3.18Å; V415-Q422 PolarHBondContact O-N 3.49Å; V415-Y425 HydrophobicContact CB-CD1 4.32Å; V415-Y425 HydrophobicContact CB-CD2 3.98Å; V415-Y425 HydrophobicContact CB-CE1 3.99Å; V415-Y425 HydrophobicContact CB-CE2 3.59Å; V415-Y425 HydrophobicContact CB-CG 4.31Å; V415-Y425 HydrophobicContact CG1-CE2 4.49Å; V415-Y425 HydrophobicContact CG2-CD1 4.11Å; V415-Y425 HydrophobicContact CG2-CE1 3.46Å; V415-Y425 VanDerWaalsContact CG2-CE1 3.46Å; V415-Y425 HydrophobicContact CG2-CE2 3.9Å; V415-Y425 WeakPolarHBondContact CG2-OH 3.28Å
416	F	93.9	Very high	92.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	138	177	-80	-101.8	0	0	0	109.4	W387 R388 L390 N404 F405 F407 W414 T419 T420 L421	W387-F416 HydrophobicContact CB-CD1 4.43Å; W387-F416 HydrophobicContact CB-CE1 3.86Å; W387-F416 HydrophobicContact CB-CZ 3.93Å; W387-F416 AromaticContact CD1-CD1 3.67Å; W387-F416 AromaticContact CD1-CE1 3.97Å; W387-F416 HydrophobicContact CG-CD1 4.43Å; W387-F416 HydrophobicContact CG-CE1 4.33Å; R388-F416 WeakPolarHBondContact O-CZ 3.36Å; L390-F416 HydrophobicContact CB-CE2 4.11Å; L390-F416 HydrophobicContact CB-CZ 4.01Å; L390-F416 HydrophobicContact CD1-CE2 3.89Å; L390-F416 HydrophobicContact CG-CE2 4.47Å; N404-F416 CarbonylContact C-O 3.55Å; N404-F416 VanDerWaalsContact CA-O 3.31Å; N404-F416 WeakPolarHBondContact CA-O 3.22Å; N404-F416 WeakPolarHBondContact CB-O 3.2Å; F405-F416 HydrophobicContact CB-CB 4.36Å; F405-F416 PolarHBondContact N-O 3.47Å; F405-F416 PolarHBondContact O-N 3.35Å; F407-F416 AromaticContact CD2-CD2 3.64Å; F407-F416 HydrophobicContact CD2-CD2 3.64Å; F407-F416 HydrophobicContact CD2-CE2 4.22Å; F407-F416 HydrophobicContact CD2-CG 4.39Å; F407-F416 HydrophobicContact CE2-CB 4.12Å; F407-F416 AromaticContact CE2-CD2 3.79Å; F407-F416 HydrophobicContact CE2-CD2 3.79Å; F407-F416 HydrophobicContact CE2-CE2 4.49Å; F407-F416 HydrophobicContact CE2-CG 4.11Å; W414-F416 HydrophobicContact CB-CD2 4.05Å; W414-F416 HydrophobicContact CB-CE2 3.72Å; W414-F416 HydrophobicContact CG-CE2 4.29Å; F416-T419 WeakPolarHBondContact CD1-O 3.23Å; F416-T420 CarbonylContact C-O 3.59Å; F416-T420 WeakPolarHBondContact CA-O 3.34Å; F416-T420 VanDerWaalsContact CD1-C 3.44Å; F416-L421 HydrophobicContact CD1-CB 4.12Å; F416-L421 VanDerWaalsContact CD1-N 3.28Å; F416-L421 HydrophobicContact CD2-CD1 3.98Å; F416-L421 HydrophobicContact CE1-CB 3.61Å; F416-L421 HydrophobicContact CE1-CD1 4.3Å; F416-L421 HydrophobicContact CE2-CB 4.4Å; F416-L421 HydrophobicContact CE2-CD1 3.53Å; F416-L421 HydrophobicContact CZ-CB 3.77Å; F416-L421 HydrophobicContact CZ-CD1 3.7Å; F416-L421 HydrophobicContact CZ-CG 4.23Å
417	K	91.1	Very high	92.7	Very high	114 Å²	114	48.7 Å²	48.7	50%	0.496	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	105	161.3	-172.2	173	-179.4	179.1	0	106.5	N404 T419 T420	N404-K417 WeakPolarHBondContact OD1-CB 3.41Å; K417-T419 PolarHBondContact O-N 2.93Å; K417-T420 PolarHBondContact N-O 3.29Å; K417-T420 PolarHBondContact O-N 3.38Å
418	D	84.4	Confident	92.5	Very high	57 Å²	57	52 Å²	52	31%	0.305	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	-99.2	-171	-48.1	-55.9	0	0	0	111.9	R356 W387 F405	R356-D418 IonicContact CZ-OD1 2.74Å; R356-D418 IonicContact NE-OD1 3.14Å; R356-D418 PolarHBondContact NE-OD1 3.32Å; R356-D418 IonicContact NH2-OD1 3.66Å; R356-D418 PolarHBondContact NH2-OD1 3.13Å; R356-D418 IonicContact NH2-OD2 2.84Å; W387-D418 PolarHBondContact NE1-O 3.15Å; F405-D418 VanDerWaalsContact CD2-O 3.23Å; F405-D418 WeakPolarHBondContact CD2-O 3.16Å; F405-D418 VanDerWaalsContact CE2-O 3.29Å; F405-D418 WeakPolarHBondContact CE2-O 3.43Å
419	T	84.4	Confident	92.3	Very high	58 Å²	58	52.1 Å²	52.1	36%	0.356	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-4.4	176.1	57.2	0	0	0	0	113.7	F386 F416 K417	F386-T419 HydrophobicContact CD1-CG2 4.07Å; F386-T419 HydrophobicContact CE1-CG2 3.5Å; F386-T419 HydrophobicContact CE2-CG2 4.34Å; F386-T419 HydrophobicContact CZ-CG2 3.66Å; F416-T419 WeakPolarHBondContact CD1-O 3.23Å; K417-T419 PolarHBondContact O-N 2.93Å
420	T	88.6	Confident	92	Very high	88 Å²	88	55.3 Å²	55.3	54%	0.54	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	116.2	-175.4	-57.7	0	0	0	0	111.2	F416 K417 Q422	F416-T420 CarbonylContact C-O 3.59Å; F416-T420 WeakPolarHBondContact CA-O 3.34Å; F416-T420 VanDerWaalsContact CD1-C 3.44Å; K417-T420 PolarHBondContact N-O 3.29Å; K417-T420 PolarHBondContact O-N 3.38Å; T420-Q422 PolarHBondContact O-N 3.14Å; T420-Q422 PolarHBondContact O-NE2 3.49Å
421	L	93.1	Very high	91.8	Very high	47 Å²	47	58.2 Å²	58.2	25%	0.246	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	125.3	173.1	-179.8	62	0	0	0	109.4	W414 F416	W414-L421 HydrophobicContact CB-CD1 4.1Å; W414-L421 HydrophobicContact CG-CD1 4.36Å; F416-L421 HydrophobicContact CD1-CB 4.12Å; F416-L421 VanDerWaalsContact CD1-N 3.28Å; F416-L421 HydrophobicContact CD2-CD1 3.98Å; F416-L421 HydrophobicContact CE1-CB 3.61Å; F416-L421 HydrophobicContact CE1-CD1 4.3Å; F416-L421 HydrophobicContact CE2-CB 4.4Å; F416-L421 HydrophobicContact CE2-CD1 3.53Å; F416-L421 HydrophobicContact CZ-CB 3.77Å; F416-L421 HydrophobicContact CZ-CD1 3.7Å; F416-L421 HydrophobicContact CZ-CG 4.23Å
422	Q	94.3	Very high	91.5	Very high	55 Å²	55	54.6 Å²	54.6	26%	0.257	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-68.9	146.4	178.2	-66.7	-57	-73.8	0	0	111	V415 T420 Y425	V415-Q422 HydrophobicContact CB-CB 4.5Å; V415-Q422 HydrophobicContact CB-CG 4.45Å; V415-Q422 HydrophobicContact CG1-CG 4.05Å; V415-Q422 WeakPolarHBondContact O-CB 3.21Å; V415-Q422 WeakPolarHBondContact O-CG 3.18Å; V415-Q422 PolarHBondContact O-N 3.49Å; T420-Q422 PolarHBondContact O-N 3.14Å; T420-Q422 PolarHBondContact O-NE2 3.49Å; Q422-Y425 HydrophobicContact CB-CD2 3.66Å; Q422-Y425 HydrophobicContact CB-CE2 3.81Å; Q422-Y425 WeakPolarHBondContact O-CD2 3.32Å; Q422-Y425 PolarHBondContact O-N 3.21Å
423	P	91.9	Very high	90.9	Very high	117 Å²	117	52 Å²	52	76%	0.76	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	140.9	178.2	-23.7	33.7	0	0	0	112
424	G	88.9	Confident	90.1	Very high	56 Å²	56	56.3 Å²	56.3	58%	0.577	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	-19.5	178.4	0	0	0	0	0	115	H427	G424-H427 PolarHBondContact O-CE1 2.87Å; G424-H427 PolarHBondContact O-ND1 3.23Å; G424-H427 VanDerWaalsContact O-ND1 3.16Å; G424-H427 PolarHBondContact O-NE2 2.85Å
425	Y	92.1	Very high	89.2	Confident	66 Å²	66	58 Å²	58	26%	0.259	35%	0.346	S	S	.	.			trans	-82.3	153.6	180	-69.4	-78.6	0	0	0	113.3	F413 V415 Q422 H427	F413-Y425 HydrophobicContact CD2-CD1 4.38Å; F413-Y425 AromaticContact CD2-CE1 3.92Å; F413-Y425 HydrophobicContact CD2-CE1 3.92Å; F413-Y425 HydrophobicContact CE2-CD1 4.17Å; F413-Y425 AromaticContact CE2-CE1 3.33Å; F413-Y425 HydrophobicContact CE2-CE1 3.33Å; F413-Y425 AromaticContact CZ-CE1 3.72Å; F413-Y425 HydrophobicContact CZ-CE1 3.72Å; V415-Y425 HydrophobicContact CB-CD1 4.32Å; V415-Y425 HydrophobicContact CB-CD2 3.98Å; V415-Y425 HydrophobicContact CB-CE1 3.99Å; V415-Y425 HydrophobicContact CB-CE2 3.59Å; V415-Y425 HydrophobicContact CB-CG 4.31Å; V415-Y425 HydrophobicContact CG1-CE2 4.49Å; V415-Y425 HydrophobicContact CG2-CD1 4.11Å; V415-Y425 HydrophobicContact CG2-CE1 3.46Å; V415-Y425 VanDerWaalsContact CG2-CE1 3.46Å; V415-Y425 HydrophobicContact CG2-CE2 3.9Å; V415-Y425 WeakPolarHBondContact CG2-OH 3.28Å; Q422-Y425 HydrophobicContact CB-CD2 3.66Å; Q422-Y425 HydrophobicContact CB-CE2 3.81Å; Q422-Y425 WeakPolarHBondContact O-CD2 3.32Å; Q422-Y425 PolarHBondContact O-N 3.21Å; Y425-H427 HydrophobicContact CD1-CB 4.26Å; Y425-H427 AromaticContact CD1-CD2 3.8Å; Y425-H427 HydrophobicContact CE1-CB 4.32Å; Y425-H427 AromaticContact CE1-CD2 3.51Å; Y425-H427 AromaticContact CZ-CD2 3.99Å
426	P	94.9	Very high	88.7	Confident	17 Å²	17	58.4 Å²	58.4	11%	0.11	35%	0.348	C	S	.	.	S	Bend	cis	-77.6	148.2	0.3	27.9	-32.1	0	0	0	114.2	K412 F413 W414	K412-P426 HydrophobicContact CB-CB 4.42Å; K412-P426 HydrophobicContact CD-CB 4.45Å; K412-P426 HydrophobicContact CD-CG 4.43Å; F413-P426 VanDerWaalsContact O-CA 3.26Å; F413-P426 WeakPolarHBondContact O-CA 3.39Å; F413-P426 WeakPolarHBondContact O-CB 3.34Å; W414-P426 HydrophobicContact CD2-CB 3.71Å; W414-P426 HydrophobicContact CD2-CG 4.49Å; W414-P426 HydrophobicContact CE3-CB 4.36Å; W414-P426 HydrophobicContact CG-CB 3.99Å; W414-P426 HydrophobicContact CH2-CB 4.28Å; W414-P426 HydrophobicContact CZ2-CB 3.67Å; W414-P426 HydrophobicContact CZ2-CG 3.76Å
427	H	94.3	Very high	88.2	Confident	72 Å²	72	59 Å²	59	33%	0.333	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	156.7	170.9	-72.5	-36.5	0	0	0	111.1	K412 F413 G424 Y425 T431	K412-H427 WeakPolarHBondContact CA-O 3.26Å; F413-H427 HydrophobicContact CD1-CB 4.19Å; F413-H427 WeakPolarHBondContact CD1-O 3.5Å; F413-H427 HydrophobicContact CE1-CB 3.55Å; F413-H427 HydrophobicContact CZ-CB 3.95Å; F413-H427 PolarHBondContact N-O 3.09Å; F413-H427 PolarHBondContact O-N 2.83Å; F413-H427 VanDerWaalsContact O-N 3.09Å; G424-H427 PolarHBondContact O-CE1 2.87Å; G424-H427 PolarHBondContact O-ND1 3.23Å; G424-H427 VanDerWaalsContact O-ND1 3.16Å; G424-H427 PolarHBondContact O-NE2 2.85Å; Y425-H427 HydrophobicContact CD1-CB 4.26Å; Y425-H427 AromaticContact CD1-CD2 3.8Å; Y425-H427 HydrophobicContact CE1-CB 4.32Å; Y425-H427 AromaticContact CE1-CD2 3.51Å; Y425-H427 AromaticContact CZ-CD2 3.99Å; H427-T431 WeakPolarHBondContact CB-OG1 3.33Å
428	D	92.6	Very high	87.5	Confident	70 Å²	70	56.8 Å²	56.8	37%	0.374	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	141.9	172.9	-64.9	-42.6	0	0	0	109.6	N411 K412 I430 T431	N411-D428 WeakPolarHBondContact O-CA 3.33Å; K412-D428 IonicContact NZ-OD1 2.87Å; K412-D428 PolarHBondContact NZ-OD1 2.9Å; D428-I430 PolarHBondContact O-N 2.84Å; D428-T431 WeakPolarHBondContact O-CB 3.29Å; D428-T431 PolarHBondContact O-N 3Å; D428-T431 PolarHBondContact O-OG1 3.01Å
429	L	90.8	Very high	87.3	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.016	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-56.2	-33.2	-172.2	-170.1	58.5	0	0	0	112.6	F408 N411 F413 T431 L432 I436 P437 I441	F408-L429 HydrophobicContact CD1-CD1 3.72Å; F408-L429 HydrophobicContact CE1-CD1 3.55Å; N411-L429 WeakPolarHBondContact O-CB 3.5Å; N411-L429 PolarHBondContact O-N 2.95Å; F413-L429 HydrophobicContact CD1-CD1 4.43Å; L429-T431 PolarHBondContact O-N 3.11Å; L429-T431 VanDerWaalsContact O-N 3.16Å; L429-L432 HydrophobicContact CD1-CD2 4.36Å; L429-L432 VanDerWaalsContact O-CB 3.23Å; L429-L432 WeakPolarHBondContact O-CB 3.26Å; L429-L432 PolarHBondContact O-N 2.92Å; L429-I436 HydrophobicContact CD1-CD1 3.38Å; L429-I436 HydrophobicContact CD1-CG1 4.15Å; L429-I436 HydrophobicContact CD2-CD1 4.43Å; L429-I436 HydrophobicContact CD2-CG1 4.33Å; L429-I436 HydrophobicContact CG-CD1 3.6Å; L429-I436 HydrophobicContact CG-CG1 3.89Å; L429-I436 HydrophobicContact CG-CG2 4.19Å; L429-I436 WeakPolarHBondContact O-CG2 3.49Å; L429-P437 WeakPolarHBondContact CD2-O 3.42Å; L429-I441 HydrophobicContact CD1-CD1 3.89Å; L429-I441 HydrophobicContact CD2-CD1 4.22Å; L429-I441 HydrophobicContact CD2-CG1 4.21Å
430	I	88.2	Confident	87.5	Confident	126 Å²	126	58.7 Å²	58.7	65%	0.646	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-57.9	-28.7	176.8	-59.7	172.2	0	0	0	112.2	D428 L432 G433	D428-I430 PolarHBondContact O-N 2.84Å; I430-L432 VanDerWaalsContact C-N 3.28Å; I430-L432 PolarHBondContact O-N 2.81Å; I430-G433 PolarHBondContact O-N 2.86Å
431	T	88.8	Confident	87.8	Confident	90 Å²	90	54.6 Å²	54.6	55%	0.552	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-74.6	-17	178	67.8	0	0	0	0	113.4	F413 H427 D428 L429 G433	F413-T431 WeakPolarHBondContact CE1-OG1 3.37Å; H427-T431 WeakPolarHBondContact CB-OG1 3.33Å; D428-T431 WeakPolarHBondContact O-CB 3.29Å; D428-T431 PolarHBondContact O-N 3Å; D428-T431 PolarHBondContact O-OG1 3.01Å; L429-T431 PolarHBondContact O-N 3.11Å; L429-T431 VanDerWaalsContact O-N 3.16Å; T431-G433 VanDerWaalsContact C-N 3.25Å; T431-G433 PolarHBondContact O-N 3.21Å
432	L	86.1	Confident	87.9	Confident	15 Å²	15	54 Å²	54	8%	0.079	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-68	-29.4	175.7	-167.8	69.5	0	0	0	111.1	F408 F413 L429 I430 I436 F455 Y464	F408-L432 HydrophobicContact CE1-CD2 4.08Å; F408-L432 HydrophobicContact CZ-CD2 4.16Å; F413-L432 HydrophobicContact CD2-CD1 4.26Å; F413-L432 HydrophobicContact CE1-CB 4.01Å; F413-L432 HydrophobicContact CE1-CD1 4.37Å; F413-L432 HydrophobicContact CE2-CD1 3.58Å; F413-L432 HydrophobicContact CZ-CB 4.07Å; F413-L432 HydrophobicContact CZ-CD1 3.66Å; F413-L432 HydrophobicContact CZ-CG 4.45Å; L429-L432 HydrophobicContact CD1-CD2 4.36Å; L429-L432 VanDerWaalsContact O-CB 3.23Å; L429-L432 WeakPolarHBondContact O-CB 3.26Å; L429-L432 PolarHBondContact O-N 2.92Å; I430-L432 VanDerWaalsContact C-N 3.28Å; I430-L432 PolarHBondContact O-N 2.81Å; L432-I436 HydrophobicContact CB-CD1 3.71Å; L432-I436 HydrophobicContact CD2-CD1 3.39Å; L432-I436 HydrophobicContact CG-CD1 4.01Å; L432-F455 HydrophobicContact CD2-CE2 3.98Å; L432-F455 HydrophobicContact CD2-CZ 3.77Å; L432-Y464 HydrophobicContact CG-CE2 4.19Å; L432-Y464 WeakPolarHBondContact O-CE2 3.48Å; L432-Y464 PolarHBondContact O-OH 2.92Å
433	G	82.2	Confident	87.9	Confident	7 Å²	7	51.5 Å²	51.5	7%	0.072	31%	0.314	C	S	.	.			trans	165.4	154.8	175	0	0	0	0	0	112.9	I430 T431 I436	I430-G433 PolarHBondContact O-N 2.86Å; T431-G433 VanDerWaalsContact C-N 3.25Å; T431-G433 PolarHBondContact O-N 3.21Å; G433-I436 WeakPolarHBondContact O-CG2 3.38Å
434	S	78.1	Confident	88	Confident	96 Å²	96	46 Å²	46	67%	0.671	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	136.1	172.8	50.6	0	0	0	0	110.9	M471	S434-M471 WeakPolarHBondContact O-CB 3.24Å; S434-M471 VanDerWaalsContact O-CG 3.31Å; S434-M471 WeakPolarHBondContact O-CG 3.39Å
435	G	78.8	Confident	88.1	Confident	54 Å²	54	43.5 Å²	43.5	56%	0.557	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	3.4	176.9	0	0	0	0	0	116.2	W462	G435-W462 PolarHBondContact O-NE1 3.26Å
436	I	85.4	Confident	88	Confident	18 Å²	18	42.7 Å²	42.7	9%	0.092	25%	0.248	C	C	.	.			trans	-69.6	147.8	174.1	-160.8	161.9	0	0	0	112.2	L429 L432 G433 S438 I441 M471	L429-I436 HydrophobicContact CD1-CD1 3.38Å; L429-I436 HydrophobicContact CD1-CG1 4.15Å; L429-I436 HydrophobicContact CD2-CD1 4.43Å; L429-I436 HydrophobicContact CD2-CG1 4.33Å; L429-I436 HydrophobicContact CG-CD1 3.6Å; L429-I436 HydrophobicContact CG-CG1 3.89Å; L429-I436 HydrophobicContact CG-CG2 4.19Å; L429-I436 WeakPolarHBondContact O-CG2 3.49Å; L432-I436 HydrophobicContact CB-CD1 3.71Å; L432-I436 HydrophobicContact CD2-CD1 3.39Å; L432-I436 HydrophobicContact CG-CD1 4.01Å; G433-I436 WeakPolarHBondContact O-CG2 3.38Å; I436-S438 PolarHBondContact O-N 2.82Å; I436-I441 HydrophobicContact CD1-CD1 4.4Å; I436-M471 HydrophobicContact CB-CE 3.57Å; I436-M471 HydrophobicContact CD1-CE 3.77Å; I436-M471 HydrophobicContact CG1-CE 3.45Å; I436-M471 VanDerWaalsContact CG1-CE 3.45Å
437	P	83	Confident	87.2	Confident	13 Å²	13	43 Å²	43	8%	0.084	25%	0.247	C	C	.	.			trans	-60.2	129.9	177.1	21.7	-33.9	0	0	0	112	L429 H439 I441 K457 W462	L429-P437 WeakPolarHBondContact CD2-O 3.42Å; P437-H439 VanDerWaalsContact C-N 3.32Å; P437-H439 PolarHBondContact O-N 3.27Å; P437-I441 HydrophobicContact CG-CG1 4.06Å; P437-K457 HydrophobicContact CB-CB 4.35Å; P437-K457 HydrophobicContact CB-CG 4.23Å; P437-K457 HydrophobicContact CG-CB 4.34Å; P437-W462 HydrophobicContact CB-CH2 4.09Å; P437-W462 HydrophobicContact CB-CZ2 3.94Å; P437-W462 HydrophobicContact CG-CD2 4.29Å; P437-W462 HydrophobicContact CG-CE3 4.29Å; P437-W462 HydrophobicContact CG-CH2 4.38Å; P437-W462 HydrophobicContact CG-CZ2 4.28Å; P437-W462 HydrophobicContact CG-CZ3 4.39Å
438	S	76.8	Confident	86.6	Confident	67 Å²	67	44.9 Å²	44.9	47%	0.469	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-20.5	-178.4	50.2	0	0	0	0	114.3	I436	I436-S438 PolarHBondContact O-N 2.82Å
439	H	80	Confident	85.5	Confident	155 Å²	155	47.9 Å²	47.9	72%	0.718	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	23.8	-172.5	-59.3	-71.3	0	0	0	113.6	P437 K457	P437-H439 VanDerWaalsContact C-N 3.32Å; P437-H439 PolarHBondContact O-N 3.27Å; H439-K457 WeakPolarHBondContact O-CE 3.17Å
440	G	89.5	Confident	84.5	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.01	29%	0.29	C	S	.	.			trans	89.8	-177.3	178.3	0	0	0	0	0	114.5	G410 K457	G410-G440 WeakPolarHBondContact O-CA 3.12Å; G440-K457 WeakPolarHBondContact O-CD 3.21Å; G440-K457 WeakPolarHBondContact O-CG 3.47Å
441	I	94.8	Very high	84.2	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	28%	0.275	C	S	.	.			trans	-127.4	130.3	-172.8	-67.7	167.7	0	0	0	108	A396 F408 L429 I436 P437 S443 A444 F455	A396-I441 HydrophobicContact CB-CG2 3.99Å; F408-I441 HydrophobicContact CD1-CD1 3.7Å; F408-I441 HydrophobicContact CD2-CD1 4.31Å; F408-I441 HydrophobicContact CE1-CD1 3.55Å; F408-I441 HydrophobicContact CE2-CD1 4.14Å; F408-I441 HydrophobicContact CG-CB 4.35Å; F408-I441 HydrophobicContact CG-CD1 4.08Å; F408-I441 HydrophobicContact CZ-CD1 3.77Å; L429-I441 HydrophobicContact CD1-CD1 3.89Å; L429-I441 HydrophobicContact CD2-CD1 4.22Å; L429-I441 HydrophobicContact CD2-CG1 4.21Å; I436-I441 HydrophobicContact CD1-CD1 4.4Å; P437-I441 HydrophobicContact CG-CG1 4.06Å; I441-S443 VanDerWaalsContact CG2-O 3.23Å; I441-S443 WeakPolarHBondContact CG2-O 3.16Å; I441-A444 HydrophobicContact CG2-CB 4.35Å; I441-F455 HydrophobicContact CD1-CB 4.22Å; I441-F455 HydrophobicContact CD1-CD1 3.68Å; I441-F455 HydrophobicContact CD1-CD2 4.41Å; I441-F455 HydrophobicContact CD1-CE1 4.09Å; I441-F455 HydrophobicContact CD1-CG 3.86Å; I441-F455 HydrophobicContact CG1-CB 4.37Å; I441-F455 HydrophobicContact CG2-CB 4.22Å; I441-F455 HydrophobicContact CG2-CD1 4.11Å
442	D	94.2	Very high	84	Confident	36 Å²	36	43.8 Å²	43.8	19%	0.193	26%	0.256	C	S	.	.	S	Bend	trans	-84.6	-35.3	179.7	-60	-26.3	0	0	0	111.4	F456 K457 G458 P489	D442-F456 PolarHBondContact N-O 2.72Å; D442-K457 VanDerWaalsContact CG-CD 3.43Å; D442-K457 VanDerWaalsContact OD1-CD 3.24Å; D442-K457 WeakPolarHBondContact OD1-CD 3.42Å; D442-K457 IonicContact OD1-NZ 2.66Å; D442-K457 PolarHBondContact OD1-NZ 3.48Å; D442-K457 WeakPolarHBondContact OD2-CA 3.4Å; D442-K457 VanDerWaalsContact OD2-CD 3.26Å; D442-K457 WeakPolarHBondContact OD2-CD 3.31Å; D442-K457 IonicContact OD2-NZ 3.73Å; D442-G458 PolarHBondContact OD2-N 3.37Å; D442-P489 CarbonylContact C-O 3.55Å; D442-P489 WeakPolarHBondContact CB-O 3.4Å
443	S	94.4	Very high	84.2	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.007	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	149.9	176.8	-178.9	0	0	0	0	110.9	I441 F456 P489 G491 A492	I441-S443 VanDerWaalsContact CG2-O 3.23Å; I441-S443 WeakPolarHBondContact CG2-O 3.16Å; S443-F456 PolarHBondContact N-O 2.64Å; S443-F456 PolarHBondContact O-N 3.23Å; S443-P489 VanDerWaalsContact CB-O 3.31Å; S443-P489 WeakPolarHBondContact CB-O 3.4Å; S443-G491 VanDerWaalsContact OG-C 3.26Å; S443-G491 WeakPolarHBondContact OG-CA 3.2Å; S443-A492 WeakPolarHBondContact OG-CB 3.15Å; S443-A492 PolarHBondContact OG-N 2.88Å
444	A	94.3	Very high	84.6	Confident	2 Å²	2	43.5 Å²	43.5	2%	0.017	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.2	179.7	0	0	0	0	0	110.3	A396 Y398 F408 I441 Y454 F455	A396-A444 HydrophobicContact CB-CB 4.47Å; Y398-A444 HydrophobicContact CD1-CB 3.58Å; Y398-A444 HydrophobicContact CE1-CB 4.33Å; Y398-A444 HydrophobicContact CG-CB 4.04Å; F408-A444 HydrophobicContact CD2-CB 4.47Å; F408-A444 HydrophobicContact CE2-CB 4.04Å; I441-A444 HydrophobicContact CG2-CB 4.35Å; A444-Y454 CarbonylContact C-O 3.58Å; A444-Y454 WeakPolarHBondContact CA-O 3.31Å; A444-F455 HydrophobicContact CB-CD1 3.62Å; A444-F455 HydrophobicContact CB-CE1 3.84Å
445	I	90.5	Very high	85.4	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139	172.7	60.6	-175.9	0	0	0	111.3	T453 Y454 F456 W482 A492 T501 F503	I445-T453 CarbonylContact O-C 3.59Å; I445-T453 WeakPolarHBondContact O-CA 3.39Å; I445-Y454 HydrophobicContact CG1-CD2 4.47Å; I445-Y454 PolarHBondContact N-O 3.35Å; I445-Y454 PolarHBondContact O-N 2.98Å; I445-F456 HydrophobicContact CD1-CE2 4Å; I445-F456 HydrophobicContact CD1-CZ 4.31Å; I445-F456 HydrophobicContact CG1-CE2 4.06Å; I445-W482 HydrophobicContact CD1-CH2 4.32Å; I445-A492 VanDerWaalsContact CG2-C 3.42Å; I445-A492 HydrophobicContact CG2-CB 3.31Å; I445-A492 WeakPolarHBondContact CG2-O 3.45Å; I445-T501 HydrophobicContact CD1-CG2 3.75Å; I445-F503 HydrophobicContact CD1-CZ 4.34Å
446	W	89.6	Confident	86	Confident	49 Å²	49	36.3 Å²	36.3	19%	0.186	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	125.4	164.1	172.5	-119.9	0	0	0	109.7	Y398 E399 S401 G451 K452 E466	Y398-W446 HydrophobicContact CD2-CB 3.98Å; E399-W446 WeakPolarHBondContact O-CB 3.02Å; S401-W446 VanDerWaalsContact CB-CZ2 3.45Å; W446-G451 VanDerWaalsContact CH2-O 3.25Å; W446-G451 WeakPolarHBondContact CH2-O 3.42Å; W446-G451 WeakPolarHBondContact CZ3-O 3.28Å; W446-K452 VanDerWaalsContact CZ3-CA 3.44Å; W446-E466 HydrophobicContact CE3-CG 4.19Å; W446-E466 HydrophobicContact CH2-CG 4.21Å; W446-E466 HydrophobicContact CZ3-CB 4.42Å; W446-E466 HydrophobicContact CZ3-CG 3.6Å
447	W	79.8	Confident	86.4	Confident	24 Å²	24	38.5 Å²	38.5	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	98.1	173.7	-162.9	-14.4	0	0	0	109.4	D449 V450 G451 K452 Y454 W482 N514	W447-D449 PolarHBondContact NE1-OD2 2.95Å; W447-D449 PolarHBondContact O-N 3.4Å; W447-V450 HydrophobicContact CB-CB 4.49Å; W447-V450 HydrophobicContact CD2-CB 4.46Å; W447-V450 HydrophobicContact CD2-CG2 3.78Å; W447-V450 HydrophobicContact CE3-CG2 4.24Å; W447-V450 HydrophobicContact CG-CB 4.3Å; W447-V450 HydrophobicContact CG-CG2 4.01Å; W447-V450 HydrophobicContact CZ2-CG2 4.08Å; W447-V450 PolarHBondContact O-N 3.24Å; W447-G451 PolarHBondContact O-N 3.41Å; W447-K452 PolarHBondContact N-O 2.92Å; W447-K452 PolarHBondContact O-N 2.98Å; W447-Y454 HydrophobicContact CB-CD2 4.2Å; W447-Y454 HydrophobicContact CB-CE2 3.89Å; W447-Y454 HydrophobicContact CD2-CE2 4.38Å; W447-Y454 HydrophobicContact CE3-CD2 4.31Å; W447-Y454 AromaticContact CE3-CE2 3.62Å; W447-Y454 HydrophobicContact CE3-CE2 3.62Å; W447-Y454 HydrophobicContact CZ3-CE2 4.49Å; W447-W482 HydrophobicContact CE3-CH2 4.25Å; W447-W482 HydrophobicContact CZ3-CH2 4.03Å; W447-W482 HydrophobicContact CZ3-CZ3 4.41Å; W447-N514 HydrophobicContact CH2-CB 3.75Å; W447-N514 HydrophobicContact CZ2-CB 3.43Å; W447-N514 VanDerWaalsContact CZ2-CB 3.43Å
448	E	79.9	Confident	86.8	Confident	110 Å²	110	39 Å²	39	51%	0.514	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-57.1	-45.9	-173.9	-170.3	170.5	-165	0	0	112.7	V450 G451 K496	E448-V450 PolarHBondContact O-N 2.83Å; E448-G451 PolarHBondContact O-N 3.31Å; E448-G451 VanDerWaalsContact O-N 3.16Å; E448-K496 IonicContact OE1-NZ 3.89Å; E448-K496 WeakPolarHBondContact OE2-CE 3.43Å; E448-K496 IonicContact OE2-NZ 3.08Å; E448-K496 PolarHBondContact OE2-NZ 2.94Å
449	D	69.8	Low	87.4	Confident	134 Å²	134	39.9 Å²	39.9	72%	0.717	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-61.2	-31.4	-179	-55.4	-35.2	0	0	0	113.8	W447	W447-D449 PolarHBondContact NE1-OD2 2.95Å; W447-D449 PolarHBondContact O-N 3.4Å
450	V	71.1	Confident	87.9	Confident	66 Å²	66	37.5 Å²	37.5	40%	0.4	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-96.2	-16.5	-177.8	-175.6	0	0	0	0	111.1	W447 E448 K452	W447-V450 HydrophobicContact CB-CB 4.49Å; W447-V450 HydrophobicContact CD2-CB 4.46Å; W447-V450 HydrophobicContact CD2-CG2 3.78Å; W447-V450 HydrophobicContact CE3-CG2 4.24Å; W447-V450 HydrophobicContact CG-CB 4.3Å; W447-V450 HydrophobicContact CG-CG2 4.01Å; W447-V450 HydrophobicContact CZ2-CG2 4.08Å; W447-V450 PolarHBondContact O-N 3.24Å; E448-V450 PolarHBondContact O-N 2.83Å; V450-K452 VanDerWaalsContact C-N 3.3Å; V450-K452 HydrophobicContact CG1-CB 4.2Å; V450-K452 HydrophobicContact CG1-CG 3.95Å; V450-K452 PolarHBondContact O-N 2.95Å
451	G	80.4	Confident	87.9	Confident	31 Å²	31	38 Å²	38	32%	0.32	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	33.1	-174.8	0	0	0	0	0	112.9	W446 W447 E448	W446-G451 VanDerWaalsContact CH2-O 3.25Å; W446-G451 WeakPolarHBondContact CH2-O 3.42Å; W446-G451 WeakPolarHBondContact CZ3-O 3.28Å; W447-G451 PolarHBondContact O-N 3.41Å; E448-G451 PolarHBondContact O-N 3.31Å; E448-G451 VanDerWaalsContact O-N 3.16Å
452	K	84.6	Confident	87.7	Confident	36 Å²	36	39 Å²	39	16%	0.157	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.2	-178	-63.8	-68.1	178.4	169.5	0	112.5	W446 W447 V450 Y454 R463 S465 D472	W446-K452 VanDerWaalsContact CZ3-CA 3.44Å; W447-K452 PolarHBondContact N-O 2.92Å; W447-K452 PolarHBondContact O-N 2.98Å; V450-K452 VanDerWaalsContact C-N 3.3Å; V450-K452 HydrophobicContact CG1-CB 4.2Å; V450-K452 HydrophobicContact CG1-CG 3.95Å; V450-K452 PolarHBondContact O-N 2.95Å; K452-Y454 HydrophobicContact CB-CE2 4.02Å; K452-R463 HydrophobicContact CB-CG 3.85Å; K452-R463 HydrophobicContact CD-CG 4.39Å; K452-R463 HydrophobicContact CG-CG 4.17Å; K452-S465 VanDerWaalsContact NZ-CB 3.27Å; K452-S465 PolarHBondContact NZ-OG 3.36Å; K452-D472 IonicContact NZ-OD1 2.93Å; K452-D472 PolarHBondContact NZ-OD1 3.06Å; K452-D472 IonicContact NZ-OD2 3.68Å; K452-D472 PolarHBondContact NZ-OD2 3.08Å
453	T	91.6	Very high	87.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	137.4	172.8	-54.9	0	0	0	0	109.4	Y398 I445 F455 R463 Y464 E466	Y398-T453 HydrophobicContact CD2-CG2 3.93Å; Y398-T453 HydrophobicContact CE1-CG2 4.13Å; Y398-T453 HydrophobicContact CE2-CG2 3.43Å; Y398-T453 VanDerWaalsContact CE2-CG2 3.43Å; Y398-T453 HydrophobicContact CG-CG2 4.47Å; I445-T453 CarbonylContact O-C 3.59Å; I445-T453 WeakPolarHBondContact O-CA 3.39Å; T453-F455 HydrophobicContact CG2-CD1 4.18Å; T453-F455 HydrophobicContact CG2-CE1 3.54Å; T453-F455 HydrophobicContact CG2-CE2 4.2Å; T453-F455 HydrophobicContact CG2-CZ 3.56Å; T453-R463 CarbonylContact O-C 3.44Å; T453-R463 WeakPolarHBondContact O-CA 3.13Å; T453-Y464 PolarHBondContact N-O 2.88Å; T453-Y464 PolarHBondContact O-N 3.14Å; T453-E466 PolarHBondContact OG1-OE1 2.7Å
454	Y	90.1	Very high	87.2	Confident	15 Å²	15	41 Å²	41	6%	0.059	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.6	176.7	-64.1	-96	0	0	0	110.2	A444 I445 W447 K452 Y461 W462 R463 W482	A444-Y454 CarbonylContact C-O 3.58Å; A444-Y454 WeakPolarHBondContact CA-O 3.31Å; I445-Y454 HydrophobicContact CG1-CD2 4.47Å; I445-Y454 PolarHBondContact N-O 3.35Å; I445-Y454 PolarHBondContact O-N 2.98Å; W447-Y454 HydrophobicContact CB-CD2 4.2Å; W447-Y454 HydrophobicContact CB-CE2 3.89Å; W447-Y454 HydrophobicContact CD2-CE2 4.38Å; W447-Y454 HydrophobicContact CE3-CD2 4.31Å; W447-Y454 AromaticContact CE3-CE2 3.62Å; W447-Y454 HydrophobicContact CE3-CE2 3.62Å; W447-Y454 HydrophobicContact CZ3-CE2 4.49Å; K452-Y454 HydrophobicContact CB-CE2 4.02Å; Y454-Y461 AromaticContact CD1-CD2 3.88Å; Y454-Y461 HydrophobicContact CD1-CD2 3.88Å; Y454-Y461 AromaticContact CD1-CE2 3.86Å; Y454-Y461 HydrophobicContact CD1-CE2 3.86Å; Y454-Y461 HydrophobicContact CE1-CE2 4.06Å; Y454-W462 VanDerWaalsContact CA-O 3.31Å; Y454-W462 WeakPolarHBondContact CA-O 3.39Å; Y454-R463 HydrophobicContact CD1-CB 4.17Å; Y454-R463 HydrophobicContact CD1-CG 4.06Å; Y454-R463 HydrophobicContact CE1-CB 4.04Å; Y454-R463 HydrophobicContact CE1-CG 3.63Å; Y454-R463 HydrophobicContact CE2-CG 4.5Å; Y454-R463 WeakPolarHBondContact OH-CD 3.38Å; Y454-W482 HydrophobicContact CD1-CH2 4.34Å; Y454-W482 AromaticContact CD1-CZ2 3.68Å; Y454-W482 HydrophobicContact CD1-CZ2 3.68Å; Y454-W482 HydrophobicContact CE1-CZ2 4.01Å; Y454-W482 HydrophobicContact CG-CH2 4.37Å; Y454-W482 HydrophobicContact CG-CZ2 4.06Å
455	F	94.1	Very high	86.8	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.1	175.2	-57.4	-58.6	0	0	0	109.9	Y398 F408 L432 I441 A444 T453 Y461 W462 Y464 M471	Y398-F455 HydrophobicContact CD1-CE1 4.28Å; Y398-F455 AromaticContact CE1-CE1 3.67Å; Y398-F455 HydrophobicContact CE1-CE1 3.67Å; Y398-F455 HydrophobicContact CE1-CZ 4.11Å; F408-F455 HydrophobicContact CE2-CD1 4.38Å; F408-F455 AromaticContact CE2-CE1 3.78Å; F408-F455 HydrophobicContact CE2-CE1 3.78Å; F408-F455 HydrophobicContact CZ-CD1 4.37Å; F408-F455 AromaticContact CZ-CE1 3.57Å; F408-F455 HydrophobicContact CZ-CE1 3.57Å; F408-F455 HydrophobicContact CZ-CZ 4Å; L432-F455 HydrophobicContact CD2-CE2 3.98Å; L432-F455 HydrophobicContact CD2-CZ 3.77Å; I441-F455 HydrophobicContact CD1-CB 4.22Å; I441-F455 HydrophobicContact CD1-CD1 3.68Å; I441-F455 HydrophobicContact CD1-CD2 4.41Å; I441-F455 HydrophobicContact CD1-CE1 4.09Å; I441-F455 HydrophobicContact CD1-CG 3.86Å; I441-F455 HydrophobicContact CG1-CB 4.37Å; I441-F455 HydrophobicContact CG2-CB 4.22Å; I441-F455 HydrophobicContact CG2-CD1 4.11Å; A444-F455 HydrophobicContact CB-CD1 3.62Å; A444-F455 HydrophobicContact CB-CE1 3.84Å; T453-F455 HydrophobicContact CG2-CD1 4.18Å; T453-F455 HydrophobicContact CG2-CE1 3.54Å; T453-F455 HydrophobicContact CG2-CE2 4.2Å; T453-F455 HydrophobicContact CG2-CZ 3.56Å; F455-Y461 CarbonylContact O-C 3.53Å; F455-Y461 WeakPolarHBondContact O-CA 3.39Å; F455-Y461 WeakPolarHBondContact O-CB 3.39Å; F455-W462 HydrophobicContact CB-CB 4.35Å; F455-W462 PolarHBondContact N-O 2.81Å; F455-W462 PolarHBondContact O-N 3.18Å; F455-Y464 VanDerWaalsContact CE2-CB 3.47Å; F455-Y464 HydrophobicContact CE2-CD1 4.08Å; F455-Y464 HydrophobicContact CE2-CD2 4.38Å; F455-Y464 AromaticContact CE2-CG 3.74Å; F455-Y464 HydrophobicContact CE2-CG 3.74Å; F455-Y464 HydrophobicContact CZ-CD1 4.27Å; F455-Y464 HydrophobicContact CZ-CG 4.39Å; F455-M471 HydrophobicContact CD2-CE 3.65Å; F455-M471 HydrophobicContact CD2-SD 4.45Å; F455-M471 HydrophobicContact CE2-CE 3.84Å
456	F	92.8	Very high	86.6	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.8	-179.9	-60.2	-93.2	0	0	0	109.6	D442 S443 I445 Y461 I479 W482 I485 P489 F503	D442-F456 PolarHBondContact N-O 2.72Å; S443-F456 PolarHBondContact N-O 2.64Å; S443-F456 PolarHBondContact O-N 3.23Å; I445-F456 HydrophobicContact CD1-CE2 4Å; I445-F456 HydrophobicContact CD1-CZ 4.31Å; I445-F456 HydrophobicContact CG1-CE2 4.06Å; F456-Y461 HydrophobicContact CE1-CG 4.3Å; F456-I479 HydrophobicContact CD1-CD1 3.86Å; F456-I479 HydrophobicContact CD1-CG1 4.19Å; F456-I479 HydrophobicContact CE1-CD1 4.48Å; F456-I479 HydrophobicContact CE1-CG1 4.45Å; F456-W482 AromaticContact CE1-CD1 3.94Å; F456-W482 HydrophobicContact CE1-CD2 4.09Å; F456-W482 AromaticContact CE1-CE2 3.71Å; F456-W482 HydrophobicContact CE1-CG 4.25Å; F456-W482 HydrophobicContact CE1-CZ2 4.17Å; F456-W482 AromaticContact CE1-NE1 3.61Å; F456-W482 HydrophobicContact CZ-CD2 4.19Å; F456-W482 AromaticContact CZ-CE2 3.71Å; F456-W482 HydrophobicContact CZ-CH2 4.14Å; F456-W482 AromaticContact CZ-CZ2 3.7Å; F456-W482 HydrophobicContact CZ-CZ2 3.7Å; F456-I485 HydrophobicContact CE1-CD1 4.29Å; F456-P489 HydrophobicContact CB-CG 3.93Å; F456-P489 HydrophobicContact CD1-CG 4.34Å; F456-P489 HydrophobicContact CG-CG 4.07Å; F456-F503 HydrophobicContact CD2-CE1 4.49Å; F456-F503 AromaticContact CE1-CE1 3.99Å; F456-F503 HydrophobicContact CE1-CE1 3.99Å; F456-F503 HydrophobicContact CE1-CZ 4.38Å; F456-F503 AromaticContact CE2-CE1 3.89Å; F456-F503 HydrophobicContact CE2-CE1 3.89Å; F456-F503 HydrophobicContact CE2-CZ 4.45Å; F456-F503 AromaticContact CZ-CE1 3.61Å; F456-F503 HydrophobicContact CZ-CE1 3.61Å; F456-F503 AromaticContact CZ-CZ 3.88Å; F456-F503 HydrophobicContact CZ-CZ 3.88Å
457	K	93.1	Very high	86.5	Confident	63 Å²	63	48.5 Å²	48.5	27%	0.274	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	119.8	175.3	-177	53.1	167	165.4	0	109.4	P437 H439 G440 D442 D459 R460 W462	P437-K457 HydrophobicContact CB-CB 4.35Å; P437-K457 HydrophobicContact CB-CG 4.23Å; P437-K457 HydrophobicContact CG-CB 4.34Å; H439-K457 WeakPolarHBondContact O-CE 3.17Å; G440-K457 WeakPolarHBondContact O-CD 3.21Å; G440-K457 WeakPolarHBondContact O-CG 3.47Å; D442-K457 VanDerWaalsContact CG-CD 3.43Å; D442-K457 VanDerWaalsContact OD1-CD 3.24Å; D442-K457 WeakPolarHBondContact OD1-CD 3.42Å; D442-K457 IonicContact OD1-NZ 2.66Å; D442-K457 PolarHBondContact OD1-NZ 3.48Å; D442-K457 WeakPolarHBondContact OD2-CA 3.4Å; D442-K457 VanDerWaalsContact OD2-CD 3.26Å; D442-K457 WeakPolarHBondContact OD2-CD 3.31Å; D442-K457 IonicContact OD2-NZ 3.73Å; K457-D459 PolarHBondContact O-N 3.23Å; K457-R460 PolarHBondContact N-O 3.33Å; K457-R460 PolarHBondContact O-N 3.46Å; K457-R460 VanDerWaalsContact O-N 3.15Å; K457-R460 VanDerWaalsContact O-O 3.1Å; K457-W462 HydrophobicContact CB-CE3 4.49Å; K457-W462 HydrophobicContact CB-CH2 4.05Å; K457-W462 HydrophobicContact CB-CZ3 3.63Å
458	G	91.3	Very high	86.7	Confident	25 Å²	25	52.5 Å²	52.5	26%	0.258	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	-128	179.4	0	0	0	0	0	112.5	D442 R460 S488	D442-G458 PolarHBondContact OD2-N 3.37Å; G458-R460 VanDerWaalsContact C-N 3.34Å; G458-S488 VanDerWaalsContact C-OG 3.32Å; G458-S488 WeakPolarHBondContact CA-OG 3.15Å; G458-S488 PolarHBondContact N-OG 3.34Å; G458-S488 WeakPolarHBondContact O-CA 3.37Å; G458-S488 PolarHBondContact O-N 2.98Å; G458-S488 PolarHBondContact O-OG 2.98Å
459	D	89.3	Confident	87	Confident	84 Å²	84	55.6 Å²	55.6	45%	0.449	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	9.7	176.7	68.1	-28	0	0	0	112.8	K457 I479	K457-D459 PolarHBondContact O-N 3.23Å; D459-I479 WeakPolarHBondContact O-CB 3.29Å; D459-I479 WeakPolarHBondContact O-CG2 3.19Å; D459-I479 PolarHBondContact O-N 3.35Å
460	R	89.9	Confident	87.9	Confident	106 Å²	106	50.7 Å²	50.7	40%	0.4	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	158.6	-171.4	-76.2	173.9	-174.4	-88.3	-2	112.9	K457 G458 W462 P476 K477	K457-R460 PolarHBondContact N-O 3.33Å; K457-R460 PolarHBondContact O-N 3.46Å; K457-R460 VanDerWaalsContact O-N 3.15Å; K457-R460 VanDerWaalsContact O-O 3.1Å; G458-R460 VanDerWaalsContact C-N 3.34Å; R460-W462 HydrophobicContact CB-CH2 3.66Å; R460-W462 HydrophobicContact CB-CZ3 3.66Å; R460-W462 WeakPolarHBondContact O-CZ3 3.31Å; R460-P476 HydrophobicContact CB-CB 4.1Å; R460-P476 HydrophobicContact CG-CB 4.39Å; R460-K477 CarbonylContact C-O 3.6Å; R460-K477 WeakPolarHBondContact CA-O 3.46Å
461	Y	89.6	Confident	88.7	Confident	10 Å²	10	48.6 Å²	48.6	4%	0.039	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.7	172.2	82	-77.5	0	0	0	111.9	Y454 F455 F456 Y475 P476 K477 P478 I481 W482	Y454-Y461 AromaticContact CD1-CD2 3.88Å; Y454-Y461 HydrophobicContact CD1-CD2 3.88Å; Y454-Y461 AromaticContact CD1-CE2 3.86Å; Y454-Y461 HydrophobicContact CD1-CE2 3.86Å; Y454-Y461 HydrophobicContact CE1-CE2 4.06Å; F455-Y461 CarbonylContact O-C 3.53Å; F455-Y461 WeakPolarHBondContact O-CA 3.39Å; F455-Y461 WeakPolarHBondContact O-CB 3.39Å; F456-Y461 HydrophobicContact CE1-CG 4.3Å; Y461-Y475 HydrophobicContact CD2-CE1 4.06Å; Y461-Y475 HydrophobicContact CE2-CD1 4.26Å; Y461-Y475 AromaticContact CE2-CE1 3.42Å; Y461-Y475 HydrophobicContact CE2-CE1 3.42Å; Y461-Y475 VanDerWaalsContact CE2-CE1 3.42Å; Y461-Y475 AromaticContact CZ-CE1 3.66Å; Y461-P476 VanDerWaalsContact O-CA 3.29Å; Y461-P476 WeakPolarHBondContact O-CA 3.43Å; Y461-K477 HydrophobicContact CD1-CB 4.04Å; Y461-K477 VanDerWaalsContact CD1-O 3.28Å; Y461-K477 WeakPolarHBondContact CD1-O 3.4Å; Y461-K477 HydrophobicContact CE1-CB 3.4Å; Y461-K477 PolarHBondContact N-O 3.36Å; Y461-K477 PolarHBondContact O-N 3.25Å; Y461-P478 WeakPolarHBondContact CE1-O 3.46Å; Y461-I481 HydrophobicContact CE1-CB 4.11Å; Y461-I481 HydrophobicContact CE1-CD1 4.02Å; Y461-I481 HydrophobicContact CE1-CG1 4.39Å; Y461-W482 AromaticContact CD1-CD1 3.81Å; Y461-W482 AromaticContact CD1-NE1 3.5Å; Y461-W482 HydrophobicContact CD2-CZ2 4.3Å; Y461-W482 AromaticContact CD2-NE1 3.38Å; Y461-W482 AromaticContact CE1-CD1 3.87Å; Y461-W482 AromaticContact CE1-NE1 3.54Å; Y461-W482 HydrophobicContact CE2-CZ2 4.2Å; Y461-W482 AromaticContact CE2-NE1 3.38Å; Y461-W482 AromaticContact CG-NE1 3.43Å; Y461-W482 AromaticContact CZ-NE1 3.5Å
462	W	91.3	Very high	88.9	Confident	22 Å²	22	47.7 Å²	47.7	8%	0.083	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148	180	-68.2	-109.7	0	0	0	108.9	G435 P437 Y454 F455 K457 R460 M471 P476	G435-W462 PolarHBondContact O-NE1 3.26Å; P437-W462 HydrophobicContact CB-CH2 4.09Å; P437-W462 HydrophobicContact CB-CZ2 3.94Å; P437-W462 HydrophobicContact CG-CD2 4.29Å; P437-W462 HydrophobicContact CG-CE3 4.29Å; P437-W462 HydrophobicContact CG-CH2 4.38Å; P437-W462 HydrophobicContact CG-CZ2 4.28Å; P437-W462 HydrophobicContact CG-CZ3 4.39Å; Y454-W462 VanDerWaalsContact CA-O 3.31Å; Y454-W462 WeakPolarHBondContact CA-O 3.39Å; F455-W462 HydrophobicContact CB-CB 4.35Å; F455-W462 PolarHBondContact N-O 2.81Å; F455-W462 PolarHBondContact O-N 3.18Å; K457-W462 HydrophobicContact CB-CE3 4.49Å; K457-W462 HydrophobicContact CB-CH2 4.05Å; K457-W462 HydrophobicContact CB-CZ3 3.63Å; R460-W462 HydrophobicContact CB-CH2 3.66Å; R460-W462 HydrophobicContact CB-CZ3 3.66Å; R460-W462 WeakPolarHBondContact O-CZ3 3.31Å; W462-M471 HydrophobicContact CB-CE 4.25Å; W462-M471 HydrophobicContact CB-SD 3.83Å; W462-M471 HydrophobicContact CG-SD 4.43Å; W462-P476 HydrophobicContact CD2-CB 3.79Å; W462-P476 HydrophobicContact CE3-CB 4.32Å; W462-P476 HydrophobicContact CG-CB 4.24Å; W462-P476 HydrophobicContact CH2-CB 4.06Å; W462-P476 HydrophobicContact CH2-CG 4.48Å; W462-P476 HydrophobicContact CZ2-CB 3.57Å; W462-P476 HydrophobicContact CZ2-CG 3.69Å; W462-P476 HydrophobicContact CZ3-CB 4.4Å
463	R	87.4	Confident	88.8	Confident	73 Å²	73	51.9 Å²	51.9	28%	0.275	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.4	171.8	-168.5	173.7	71.9	-176.4	6.4	108.8	K452 T453 Y454 D472 Y475	K452-R463 HydrophobicContact CB-CG 3.85Å; K452-R463 HydrophobicContact CD-CG 4.39Å; K452-R463 HydrophobicContact CG-CG 4.17Å; T453-R463 CarbonylContact O-C 3.44Å; T453-R463 WeakPolarHBondContact O-CA 3.13Å; Y454-R463 HydrophobicContact CD1-CB 4.17Å; Y454-R463 HydrophobicContact CD1-CG 4.06Å; Y454-R463 HydrophobicContact CE1-CB 4.04Å; Y454-R463 HydrophobicContact CE1-CG 3.63Å; Y454-R463 HydrophobicContact CE2-CG 4.5Å; Y454-R463 WeakPolarHBondContact OH-CD 3.38Å; R463-D472 IonicContact CZ-OD2 2.74Å; R463-D472 IonicContact NE-OD2 3.39Å; R463-D472 PolarHBondContact NE-OD2 3.31Å; R463-D472 IonicContact NH2-OD2 2.99Å; R463-D472 PolarHBondContact NH2-OD2 3.08Å; R463-D472 PolarHBondContact O-N 3.41Å; R463-Y475 HydrophobicContact CB-CD1 4.03Å; R463-Y475 HydrophobicContact CB-CD2 3.92Å; R463-Y475 HydrophobicContact CB-CE1 3.68Å; R463-Y475 HydrophobicContact CB-CE2 3.55Å; R463-Y475 HydrophobicContact CB-CG 4.13Å; R463-Y475 VanDerWaalsContact CB-CZ 3.41Å; R463-Y475 HydrophobicContact CG-CE2 4.48Å; R463-Y475 PolarHBondContact NE-OH 2.94Å; R463-Y475 PolarHBondContact NH1-OH 2.93Å
464	Y	90.8	Very high	88.1	Confident	6 Å²	6	54.8 Å²	54.8	2%	0.024	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	137.5	-174.1	175.6	-107.3	0	0	0	110.5	L432 T453 F455 E466 R469 S470 M471	L432-Y464 HydrophobicContact CG-CE2 4.19Å; L432-Y464 WeakPolarHBondContact O-CE2 3.48Å; L432-Y464 PolarHBondContact O-OH 2.92Å; T453-Y464 PolarHBondContact N-O 2.88Å; T453-Y464 PolarHBondContact O-N 3.14Å; F455-Y464 VanDerWaalsContact CE2-CB 3.47Å; F455-Y464 HydrophobicContact CE2-CD1 4.08Å; F455-Y464 HydrophobicContact CE2-CD2 4.38Å; F455-Y464 AromaticContact CE2-CG 3.74Å; F455-Y464 HydrophobicContact CE2-CG 3.74Å; F455-Y464 HydrophobicContact CZ-CD1 4.27Å; F455-Y464 HydrophobicContact CZ-CG 4.39Å; Y464-E466 HydrophobicContact CD1-CG 4.27Å; Y464-E466 VanDerWaalsContact CE1-CD 3.43Å; Y464-E466 HydrophobicContact CE1-CG 4.15Å; Y464-E466 WeakPolarHBondContact CE1-OE1 3.42Å; Y464-E466 WeakPolarHBondContact CE1-OE2 3.35Å; Y464-R469 VanDerWaalsContact OH-CA 3.31Å; Y464-R469 WeakPolarHBondContact OH-CA 3.34Å; Y464-S470 WeakPolarHBondContact CD2-O 3.39Å; Y464-S470 VanDerWaalsContact CE2-N 3.28Å; Y464-M471 HydrophobicContact CD2-CE 4.09Å; Y464-M471 HydrophobicContact CD2-SD 3.99Å; Y464-M471 HydrophobicContact CG-SD 4.36Å
465	S	86.6	Confident	88	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	108.2	175.2	-162.1	0	0	0	0	109.3	K452 E467 M468 R469 S470	K452-S465 VanDerWaalsContact NZ-CB 3.27Å; K452-S465 PolarHBondContact NZ-OG 3.36Å; S465-E467 PolarHBondContact O-N 3.15Å; S465-M468 PolarHBondContact O-N 3.38Å; S465-M468 WeakPolarHBondContact OG-CE 3.43Å; S465-R469 WeakPolarHBondContact O-CA 3.34Å; S465-R469 PolarHBondContact O-N 3.03Å; S465-S470 PolarHBondContact N-O 3.48Å; S465-S470 PolarHBondContact O-N 3.18Å
466	E	86.6	Confident	87.8	Confident	25 Å²	25	58 Å²	58	12%	0.117	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-37.7	176.8	-65	-71.2	165.3	0	0	111.3	Y398 W446 T453 Y464 R469	Y398-E466 WeakPolarHBondContact CE2-OE1 3.38Å; Y398-E466 PolarHBondContact OH-OE1 3.49Å; W446-E466 HydrophobicContact CE3-CG 4.19Å; W446-E466 HydrophobicContact CH2-CG 4.21Å; W446-E466 HydrophobicContact CZ3-CB 4.42Å; W446-E466 HydrophobicContact CZ3-CG 3.6Å; T453-E466 PolarHBondContact OG1-OE1 2.7Å; Y464-E466 HydrophobicContact CD1-CG 4.27Å; Y464-E466 VanDerWaalsContact CE1-CD 3.43Å; Y464-E466 HydrophobicContact CE1-CG 4.15Å; Y464-E466 WeakPolarHBondContact CE1-OE1 3.42Å; Y464-E466 WeakPolarHBondContact CE1-OE2 3.35Å; E466-R469 WeakPolarHBondContact O-CG 3.47Å
467	E	85.6	Confident	87.4	Confident	185 Å²	185	61.7 Å²	61.7	86%	0.864	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-46.2	178.3	-176.9	-178	-170.6	0	0	112.7	S465 R469	S465-E467 PolarHBondContact O-N 3.15Å; E467-R469 VanDerWaalsContact C-N 3.34Å
468	M	85.7	Confident	86.8	Confident	108 Å²	108	61.4 Å²	61.4	53%	0.532	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-1.9	-177.1	-61.4	-172.3	-69.4	0	0	112.9	S465 S470	S465-M468 PolarHBondContact O-N 3.38Å; S465-M468 WeakPolarHBondContact OG-CE 3.43Å; M468-S470 WeakPolarHBondContact CB-OG 3.3Å; M468-S470 PolarHBondContact O-N 3.26Å; M468-S470 VanDerWaalsContact O-N 3.16Å; M468-S470 PolarHBondContact O-OG 2.73Å
469	R	86.6	Confident	86.5	Confident	176 Å²	176	60.6 Å²	60.6	66%	0.664	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.9	47	-173.9	-61.2	-176.9	174.5	179.8	-2.5	113.5	Y464 S465 E466 E467	Y464-R469 VanDerWaalsContact OH-CA 3.31Å; Y464-R469 WeakPolarHBondContact OH-CA 3.34Å; S465-R469 WeakPolarHBondContact O-CA 3.34Å; S465-R469 PolarHBondContact O-N 3.03Å; E466-R469 WeakPolarHBondContact O-CG 3.47Å; E467-R469 VanDerWaalsContact C-N 3.34Å
470	S	88	Confident	86.1	Confident	31 Å²	31	61.3 Å²	61.3	22%	0.217	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	159.7	-174.9	47.6	0	0	0	0	112.4	Y464 S465 M468	Y464-S470 WeakPolarHBondContact CD2-O 3.39Å; Y464-S470 VanDerWaalsContact CE2-N 3.28Å; S465-S470 PolarHBondContact N-O 3.48Å; S465-S470 PolarHBondContact O-N 3.18Å; M468-S470 WeakPolarHBondContact CB-OG 3.3Å; M468-S470 PolarHBondContact O-N 3.26Å; M468-S470 VanDerWaalsContact O-N 3.16Å; M468-S470 PolarHBondContact O-OG 2.73Å
471	M	88.3	Confident	85.5	Confident	21 Å²	21	59.3 Å²	59.3	10%	0.103	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	138.7	173.2	-64.2	-58.9	171.9	0	0	110.6	S434 I436 F455 W462 Y464	S434-M471 WeakPolarHBondContact O-CB 3.24Å; S434-M471 VanDerWaalsContact O-CG 3.31Å; S434-M471 WeakPolarHBondContact O-CG 3.39Å; I436-M471 HydrophobicContact CB-CE 3.57Å; I436-M471 HydrophobicContact CD1-CE 3.77Å; I436-M471 HydrophobicContact CG1-CE 3.45Å; I436-M471 VanDerWaalsContact CG1-CE 3.45Å; F455-M471 HydrophobicContact CD2-CE 3.65Å; F455-M471 HydrophobicContact CD2-SD 4.45Å; F455-M471 HydrophobicContact CE2-CE 3.84Å; W462-M471 HydrophobicContact CB-CE 4.25Å; W462-M471 HydrophobicContact CB-SD 3.83Å; W462-M471 HydrophobicContact CG-SD 4.43Å; Y464-M471 HydrophobicContact CD2-CE 4.09Å; Y464-M471 HydrophobicContact CD2-SD 3.99Å; Y464-M471 HydrophobicContact CG-SD 4.36Å
472	D	82.8	Confident	85.1	Confident	12 Å²	12	59.3 Å²	59.3	6%	0.064	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-63.7	144.5	174.5	-81.5	1.2	0	0	0	110.2	K452 R463 Y475	K452-D472 IonicContact NZ-OD1 2.93Å; K452-D472 PolarHBondContact NZ-OD1 3.06Å; K452-D472 IonicContact NZ-OD2 3.68Å; K452-D472 PolarHBondContact NZ-OD2 3.08Å; R463-D472 IonicContact CZ-OD2 2.74Å; R463-D472 IonicContact NE-OD2 3.39Å; R463-D472 PolarHBondContact NE-OD2 3.31Å; R463-D472 IonicContact NH2-OD2 2.99Å; R463-D472 PolarHBondContact NH2-OD2 3.08Å; R463-D472 PolarHBondContact O-N 3.41Å; D472-Y475 HydrophobicContact CB-CD2 3.9Å; D472-Y475 HydrophobicContact CB-CE2 4.06Å; D472-Y475 WeakPolarHBondContact O-CD2 3.48Å
473	P	83.4	Confident	84.6	Confident	124 Å²	124	65 Å²	65	81%	0.805	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	141.7	176.7	-25.3	34.2	0	0	0	112.8
474	G	77.9	Confident	84.5	Confident	61 Å²	61	64.1 Å²	64.1	63%	0.629	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	13.8	178.7	0	0	0	0	0	115.1	K477	G474-K477 WeakPolarHBondContact O-CE 3.44Å; G474-K477 WeakPolarHBondContact O-CG 3.32Å
475	Y	86.6	Confident	84.4	Confident	34 Å²	34	64.8 Å²	64.8	13%	0.133	36%	0.355	C	S	.	.			trans	-107.7	151.5	168.4	-73.1	-87.6	0	0	0	110.9	Y461 R463 D472 K477	Y461-Y475 HydrophobicContact CD2-CE1 4.06Å; Y461-Y475 HydrophobicContact CE2-CD1 4.26Å; Y461-Y475 AromaticContact CE2-CE1 3.42Å; Y461-Y475 HydrophobicContact CE2-CE1 3.42Å; Y461-Y475 VanDerWaalsContact CE2-CE1 3.42Å; Y461-Y475 AromaticContact CZ-CE1 3.66Å; R463-Y475 HydrophobicContact CB-CD1 4.03Å; R463-Y475 HydrophobicContact CB-CD2 3.92Å; R463-Y475 HydrophobicContact CB-CE1 3.68Å; R463-Y475 HydrophobicContact CB-CE2 3.55Å; R463-Y475 HydrophobicContact CB-CG 4.13Å; R463-Y475 VanDerWaalsContact CB-CZ 3.41Å; R463-Y475 HydrophobicContact CG-CE2 4.48Å; R463-Y475 PolarHBondContact NE-OH 2.94Å; R463-Y475 PolarHBondContact NH1-OH 2.93Å; D472-Y475 HydrophobicContact CB-CD2 3.9Å; D472-Y475 HydrophobicContact CB-CE2 4.06Å; D472-Y475 WeakPolarHBondContact O-CD2 3.48Å; Y475-K477 HydrophobicContact CD1-CB 4.13Å; Y475-K477 HydrophobicContact CD1-CD 4.34Å; Y475-K477 HydrophobicContact CD1-CG 3.86Å; Y475-K477 HydrophobicContact CE1-CB 4.12Å; Y475-K477 HydrophobicContact CE1-CD 3.85Å; Y475-K477 HydrophobicContact CE1-CG 3.86Å; Y475-K477 HydrophobicContact CG-CG 4.48Å
476	P	91.4	Very high	84.7	Confident	48 Å²	48	65.6 Å²	65.6	31%	0.312	36%	0.361	S	S	.	.			cis	-74	149.9	5.2	23.9	-30.1	0	0	0	115.3	R460 Y461 W462	R460-P476 HydrophobicContact CB-CB 4.1Å; R460-P476 HydrophobicContact CG-CB 4.39Å; Y461-P476 VanDerWaalsContact O-CA 3.29Å; Y461-P476 WeakPolarHBondContact O-CA 3.43Å; W462-P476 HydrophobicContact CD2-CB 3.79Å; W462-P476 HydrophobicContact CE3-CB 4.32Å; W462-P476 HydrophobicContact CG-CB 4.24Å; W462-P476 HydrophobicContact CH2-CB 4.06Å; W462-P476 HydrophobicContact CH2-CG 4.48Å; W462-P476 HydrophobicContact CZ2-CB 3.57Å; W462-P476 HydrophobicContact CZ2-CG 3.69Å; W462-P476 HydrophobicContact CZ3-CB 4.4Å
477	K	82.6	Confident	84.8	Confident	78 Å²	78	70.1 Å²	70.1	34%	0.339	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	155.1	171.7	-71.2	-168.1	-179	-167	0	110.9	R460 Y461 G474 Y475 I481	R460-K477 CarbonylContact C-O 3.6Å; R460-K477 WeakPolarHBondContact CA-O 3.46Å; Y461-K477 HydrophobicContact CD1-CB 4.04Å; Y461-K477 VanDerWaalsContact CD1-O 3.28Å; Y461-K477 WeakPolarHBondContact CD1-O 3.4Å; Y461-K477 HydrophobicContact CE1-CB 3.4Å; Y461-K477 PolarHBondContact N-O 3.36Å; Y461-K477 PolarHBondContact O-N 3.25Å; G474-K477 WeakPolarHBondContact O-CE 3.44Å; G474-K477 WeakPolarHBondContact O-CG 3.32Å; Y475-K477 HydrophobicContact CD1-CB 4.13Å; Y475-K477 HydrophobicContact CD1-CD 4.34Å; Y475-K477 HydrophobicContact CD1-CG 3.86Å; Y475-K477 HydrophobicContact CE1-CB 4.12Å; Y475-K477 HydrophobicContact CE1-CD 3.85Å; Y475-K477 HydrophobicContact CE1-CG 3.86Å; Y475-K477 HydrophobicContact CG-CG 4.48Å; K477-I481 HydrophobicContact CB-CD1 3.91Å; K477-I481 HydrophobicContact CD-CD1 3.67Å; K477-I481 HydrophobicContact CG-CD1 4.36Å
478	P	81.3	Confident	85	Confident	58 Å²	58	63 Å²	63	38%	0.377	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	142.1	175.6	28.3	-35.3	0	0	0	110.5	Y461 T480 I481	Y461-P478 WeakPolarHBondContact CE1-O 3.46Å; P478-T480 PolarHBondContact O-N 3.31Å; P478-T480 VanDerWaalsContact O-N 3.14Å; P478-I481 PolarHBondContact O-N 2.93Å
479	I	85.8	Confident	85.4	Confident	7 Å²	7	57.9 Å²	57.9	4%	0.036	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-64.5	-17.1	-179.8	-160.6	168.8	0	0	0	112.4	F456 D459 I481 W482 I485 E487 P489	F456-I479 HydrophobicContact CD1-CD1 3.86Å; F456-I479 HydrophobicContact CD1-CG1 4.19Å; F456-I479 HydrophobicContact CE1-CD1 4.48Å; F456-I479 HydrophobicContact CE1-CG1 4.45Å; D459-I479 WeakPolarHBondContact O-CB 3.29Å; D459-I479 WeakPolarHBondContact O-CG2 3.19Å; D459-I479 PolarHBondContact O-N 3.35Å; I479-I481 PolarHBondContact O-N 3.35Å; I479-W482 WeakPolarHBondContact O-CA 3.41Å; I479-W482 VanDerWaalsContact O-CB 3.3Å; I479-W482 WeakPolarHBondContact O-CB 3.43Å; I479-W482 PolarHBondContact O-N 3.01Å; I479-I485 HydrophobicContact CD1-CD1 3.81Å; I479-I485 HydrophobicContact CD1-CG1 4.23Å; I479-I485 HydrophobicContact CG1-CD1 3.79Å; I479-I485 HydrophobicContact CG1-CG1 4.14Å; I479-E487 HydrophobicContact CG2-CG 4.22Å; I479-P489 HydrophobicContact CD1-CG 4.47Å
480	T	80.3	Confident	85.8	Confident	100 Å²	100	52.5 Å²	52.5	61%	0.613	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-57.8	-17	177.1	56.8	0	0	0	0	114.6	P478 W482	P478-T480 PolarHBondContact O-N 3.31Å; P478-T480 VanDerWaalsContact O-N 3.14Å; T480-W482 PolarHBondContact O-N 2.91Å
481	I	76.9	Confident	86	Confident	64 Å²	64	51 Å²	51	33%	0.328	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-61.5	-34.6	169.3	-63.1	-176.9	0	0	0	110.9	Y461 K477 P478 I479 K483	Y461-I481 HydrophobicContact CE1-CB 4.11Å; Y461-I481 HydrophobicContact CE1-CD1 4.02Å; Y461-I481 HydrophobicContact CE1-CG1 4.39Å; K477-I481 HydrophobicContact CB-CD1 3.91Å; K477-I481 HydrophobicContact CD-CD1 3.67Å; K477-I481 HydrophobicContact CG-CD1 4.36Å; P478-I481 PolarHBondContact O-N 2.93Å; I479-I481 PolarHBondContact O-N 3.35Å; I481-K483 VanDerWaalsContact C-N 3.31Å; I481-K483 PolarHBondContact O-N 2.81Å; I481-K483 VanDerWaalsContact O-N 3.09Å
482	W	82.1	Confident	86.2	Confident	10 Å²	10	50.1 Å²	50.1	4%	0.038	30%	0.296	C	S	.	.	S	Bend	trans	-82.7	74.7	172.6	-56.4	83.6	0	0	0	109.4	I445 W447 Y454 F456 Y461 I479 T480 G484 I485 F503 F512	I445-W482 HydrophobicContact CD1-CH2 4.32Å; W447-W482 HydrophobicContact CE3-CH2 4.25Å; W447-W482 HydrophobicContact CZ3-CH2 4.03Å; W447-W482 HydrophobicContact CZ3-CZ3 4.41Å; Y454-W482 HydrophobicContact CD1-CH2 4.34Å; Y454-W482 AromaticContact CD1-CZ2 3.68Å; Y454-W482 HydrophobicContact CD1-CZ2 3.68Å; Y454-W482 HydrophobicContact CE1-CZ2 4.01Å; Y454-W482 HydrophobicContact CG-CH2 4.37Å; Y454-W482 HydrophobicContact CG-CZ2 4.06Å; F456-W482 AromaticContact CE1-CD1 3.94Å; F456-W482 HydrophobicContact CE1-CD2 4.09Å; F456-W482 AromaticContact CE1-CE2 3.71Å; F456-W482 HydrophobicContact CE1-CG 4.25Å; F456-W482 HydrophobicContact CE1-CZ2 4.17Å; F456-W482 AromaticContact CE1-NE1 3.61Å; F456-W482 HydrophobicContact CZ-CD2 4.19Å; F456-W482 AromaticContact CZ-CE2 3.71Å; F456-W482 HydrophobicContact CZ-CH2 4.14Å; F456-W482 AromaticContact CZ-CZ2 3.7Å; F456-W482 HydrophobicContact CZ-CZ2 3.7Å; Y461-W482 AromaticContact CD1-CD1 3.81Å; Y461-W482 AromaticContact CD1-NE1 3.5Å; Y461-W482 HydrophobicContact CD2-CZ2 4.3Å; Y461-W482 AromaticContact CD2-NE1 3.38Å; Y461-W482 AromaticContact CE1-CD1 3.87Å; Y461-W482 AromaticContact CE1-NE1 3.54Å; Y461-W482 HydrophobicContact CE2-CZ2 4.2Å; Y461-W482 AromaticContact CE2-NE1 3.38Å; Y461-W482 AromaticContact CG-NE1 3.43Å; Y461-W482 AromaticContact CZ-NE1 3.5Å; I479-W482 WeakPolarHBondContact O-CA 3.41Å; I479-W482 VanDerWaalsContact O-CB 3.3Å; I479-W482 WeakPolarHBondContact O-CB 3.43Å; I479-W482 PolarHBondContact O-N 3.01Å; T480-W482 PolarHBondContact O-N 2.91Å; W482-G484 PolarHBondContact O-N 2.85Å; W482-G484 VanDerWaalsContact O-N 3.14Å; W482-I485 HydrophobicContact CB-CD1 3.36Å; W482-I485 HydrophobicContact CB-CG1 3.63Å; W482-I485 HydrophobicContact CB-CG2 4.29Å; W482-I485 HydrophobicContact CD2-CD1 4.44Å; W482-I485 HydrophobicContact CG-CD1 3.86Å; W482-I485 WeakPolarHBondContact O-CG1 3.47Å; W482-I485 PolarHBondContact O-N 3.44Å; W482-F503 HydrophobicContact CD2-CZ 4.25Å; W482-F503 AromaticContact CE3-CE2 3.94Å; W482-F503 HydrophobicContact CE3-CE2 3.94Å; W482-F503 AromaticContact CE3-CZ 3.6Å; W482-F503 HydrophobicContact CE3-CZ 3.6Å; W482-F503 HydrophobicContact CZ3-CE2 4.21Å; W482-F503 AromaticContact CZ3-CZ 3.78Å; W482-F503 HydrophobicContact CZ3-CZ 3.78Å; W482-F512 HydrophobicContact CB-CE2 4.07Å; W482-F512 HydrophobicContact CB-CZ 4.24Å; W482-F512 HydrophobicContact CD2-CE1 4.5Å; W482-F512 HydrophobicContact CD2-CZ 4.3Å; W482-F512 AromaticContact CE3-CD1 3.88Å; W482-F512 HydrophobicContact CE3-CD1 3.88Å; W482-F512 AromaticContact CE3-CE1 3.42Å; W482-F512 HydrophobicContact CE3-CE1 3.42Å; W482-F512 VanDerWaalsContact CE3-CE1 3.42Å; W482-F512 HydrophobicContact CE3-CE2 4.18Å; W482-F512 HydrophobicContact CE3-CG 4.41Å; W482-F512 AromaticContact CE3-CZ 3.57Å; W482-F512 HydrophobicContact CE3-CZ 3.57Å; W482-F512 HydrophobicContact CZ3-CD1 4.03Å; W482-F512 AromaticContact CZ3-CE1 3.7Å; W482-F512 HydrophobicContact CZ3-CE1 3.7Å; W482-F512 HydrophobicContact CZ3-CZ 4.3Å
483	K	79.9	Confident	86.6	Confident	142 Å²	142	49.9 Å²	49.9	62%	0.617	29%	0.294	S	S	*	.	B	Isolated β-bridge	trans	-59.2	120.8	-169.5	-65	-179.3	179.5	178.9	0	112.2	I481 L517 R518 V519	I481-K483 VanDerWaalsContact C-N 3.31Å; I481-K483 PolarHBondContact O-N 2.81Å; I481-K483 VanDerWaalsContact O-N 3.09Å; K483-L517 PolarHBondContact N-O 3.46Å; K483-R518 HydrophobicContact CB-CB 4.12Å; K483-R518 CarbonylContact O-C 3.44Å; K483-R518 VanDerWaalsContact O-CA 3.3Å; K483-R518 WeakPolarHBondContact O-CA 3.42Å; K483-V519 PolarHBondContact O-N 2.76Å
484	G	84.6	Confident	86.8	Confident	54 Å²	54	45.5 Å²	45.5	56%	0.557	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-3.9	173.3	0	0	0	0	0	115.7	W482 W510 V519	W482-G484 PolarHBondContact O-N 2.85Å; W482-G484 VanDerWaalsContact O-N 3.14Å; G484-W510 VanDerWaalsContact O-CD1 3.26Å; G484-V519 WeakPolarHBondContact O-CG2 3.2Å
485	I	90.4	Very high	87	Confident	19 Å²	19	45.2 Å²	45.2	10%	0.097	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-80.6	153.3	171.8	79	170.8	0	0	0	110.1	F456 I479 W482 F503 F512 V519	F456-I485 HydrophobicContact CE1-CD1 4.29Å; I479-I485 HydrophobicContact CD1-CD1 3.81Å; I479-I485 HydrophobicContact CD1-CG1 4.23Å; I479-I485 HydrophobicContact CG1-CD1 3.79Å; I479-I485 HydrophobicContact CG1-CG1 4.14Å; W482-I485 HydrophobicContact CB-CD1 3.36Å; W482-I485 HydrophobicContact CB-CG1 3.63Å; W482-I485 HydrophobicContact CB-CG2 4.29Å; W482-I485 HydrophobicContact CD2-CD1 4.44Å; W482-I485 HydrophobicContact CG-CD1 3.86Å; W482-I485 WeakPolarHBondContact O-CG1 3.47Å; W482-I485 PolarHBondContact O-N 3.44Å; I485-F503 HydrophobicContact CB-CD2 4.31Å; I485-F503 HydrophobicContact CB-CG 4.31Å; I485-F503 HydrophobicContact CD1-CD1 3.88Å; I485-F503 HydrophobicContact CD1-CD2 4.37Å; I485-F503 HydrophobicContact CD1-CE1 3.69Å; I485-F503 HydrophobicContact CD1-CE2 4.19Å; I485-F503 HydrophobicContact CD1-CG 4.21Å; I485-F503 HydrophobicContact CD1-CZ 3.85Å; I485-F503 HydrophobicContact CG2-CD2 3.6Å; I485-F503 HydrophobicContact CG2-CE2 3.88Å; I485-F503 HydrophobicContact CG2-CG 4.09Å; I485-F512 HydrophobicContact CG2-CB 4.45Å; I485-F512 HydrophobicContact CG2-CD2 3.61Å; I485-F512 HydrophobicContact CG2-CE2 4.21Å; I485-F512 HydrophobicContact CG2-CG 4.32Å; I485-V519 HydrophobicContact CG2-CG2 3.67Å
486	P	92.1	Very high	86.4	Confident	21 Å²	21	50 Å²	50	14%	0.136	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-71.7	152.3	176.5	31.8	-37.4	0	0	0	111.2	K505 W510	P486-K505 HydrophobicContact CB-CB 4.49Å; P486-K505 HydrophobicContact CB-CD 3.69Å; P486-K505 HydrophobicContact CG-CB 3.91Å; P486-K505 HydrophobicContact CG-CD 3.96Å; P486-W510 HydrophobicContact CB-CH2 4.25Å; P486-W510 HydrophobicContact CB-CZ2 4.23Å; P486-W510 HydrophobicContact CG-CD2 4.06Å; P486-W510 HydrophobicContact CG-CE3 3.76Å; P486-W510 HydrophobicContact CG-CH2 3.85Å; P486-W510 HydrophobicContact CG-CZ2 4.06Å; P486-W510 HydrophobicContact CG-CZ3 3.69Å
487	E	88.8	Confident	85.6	Confident	119 Å²	119	56.3 Å²	56.3	56%	0.556	29%	0.294	S	S	*	.	S	Bend	trans	-61	146.1	166.6	-63.1	-179.9	174.3	0	0	110.2	I479 K505	I479-E487 HydrophobicContact CG2-CG 4.22Å; E487-K505 WeakPolarHBondContact O-CE 3.26Å; E487-K505 PolarHBondContact O-NZ 3.3Å
488	S	90.2	Very high	85.4	Confident	37 Å²	37	55.6 Å²	55.6	26%	0.259	29%	0.294	S	S	.	.	S	Bend	trans	49	62.3	178.8	-45.9	0	0	0	0	113.8	G458	G458-S488 VanDerWaalsContact C-OG 3.32Å; G458-S488 WeakPolarHBondContact CA-OG 3.15Å; G458-S488 PolarHBondContact N-OG 3.34Å; G458-S488 WeakPolarHBondContact O-CA 3.37Å; G458-S488 PolarHBondContact O-N 2.98Å; G458-S488 PolarHBondContact O-OG 2.98Å
489	P	93.5	Very high	85.1	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.29	C	S	.	.			trans	-60.6	143.2	172.6	27.7	-33.8	0	0	0	110	D442 S443 F456 I479 F503	D442-P489 CarbonylContact C-O 3.55Å; D442-P489 WeakPolarHBondContact CB-O 3.4Å; S443-P489 VanDerWaalsContact CB-O 3.31Å; S443-P489 WeakPolarHBondContact CB-O 3.4Å; F456-P489 HydrophobicContact CB-CG 3.93Å; F456-P489 HydrophobicContact CD1-CG 4.34Å; F456-P489 HydrophobicContact CG-CG 4.07Å; I479-P489 HydrophobicContact CD1-CG 4.47Å; P489-F503 HydrophobicContact CB-CD1 3.95Å; P489-F503 HydrophobicContact CG-CD1 4.02Å; P489-F503 HydrophobicContact CG-CE1 4.48Å
490	Q	94.1	Very high	85.2	Confident	62 Å²	62	55.8 Å²	55.8	29%	0.29	30%	0.297	S	S	.	.	S	Bend	trans	-89.5	-18.3	-178.6	-67.3	178.6	-77.8	0	0	112.7	T351 Y504 K505	T351-Q490 VanDerWaalsContact CA-O 3.28Å; T351-Q490 WeakPolarHBondContact CA-O 3.43Å; T351-Q490 WeakPolarHBondContact CB-O 3.19Å; T351-Q490 PolarHBondContact OG1-O 3.29Å; Q490-Y504 HydrophobicContact CB-CD1 3.89Å; Q490-Y504 HydrophobicContact CB-CE1 3.87Å; Q490-Y504 PolarHBondContact N-O 3.17Å; Q490-K505 HydrophobicContact CG-CG 4.42Å
491	G	92.9	Very high	85.6	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	156.6	175.9	0	0	0	0	0	110.2	S443 Y504	S443-G491 VanDerWaalsContact OG-C 3.26Å; S443-G491 WeakPolarHBondContact OG-CA 3.2Å; G491-Y504 PolarHBondContact N-O 2.89Å; G491-Y504 PolarHBondContact O-N 3.47Å
492	A	92.2	Very high	86.4	Confident	3 Å²	3	48.7 Å²	48.7	3%	0.025	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	152.2	174.2	0	0	0	0	0	110.6	S443 I445 Y502 F503	S443-A492 WeakPolarHBondContact OG-CB 3.15Å; S443-A492 PolarHBondContact OG-N 2.88Å; I445-A492 VanDerWaalsContact CG2-C 3.42Å; I445-A492 HydrophobicContact CG2-CB 3.31Å; I445-A492 WeakPolarHBondContact CG2-O 3.45Å; A492-Y502 CarbonylContact C-O 3.55Å; A492-Y502 WeakPolarHBondContact CA-O 3.24Å; A492-Y502 WeakPolarHBondContact CB-O 3.4Å; A492-F503 HydrophobicContact CB-CD1 3.67Å; A492-F503 HydrophobicContact CB-CE1 3.9Å; A492-F503 HydrophobicContact CB-CG 4.28Å
493	F	92.1	Very high	87	Confident	7 Å²	7	48.2 Å²	48.2	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	154.3	178.3	59.7	-88.8	0	0	0	111.2	L352 I354 M359 Y502 F531	L352-F493 HydrophobicContact CD1-CD1 3.33Å; L352-F493 HydrophobicContact CD1-CE1 3.42Å; L352-F493 VanDerWaalsContact CD1-CE1 3.42Å; I354-F493 HydrophobicContact CB-CB 4.2Å; I354-F493 HydrophobicContact CD1-CB 4.26Å; I354-F493 HydrophobicContact CD1-CD2 3.31Å; I354-F493 HydrophobicContact CD1-CE2 3.88Å; I354-F493 HydrophobicContact CD1-CG 4.02Å; I354-F493 HydrophobicContact CG1-CB 3.89Å; I354-F493 HydrophobicContact CG1-CD2 3.71Å; I354-F493 HydrophobicContact CG1-CE2 4.43Å; I354-F493 HydrophobicContact CG1-CG 3.88Å; M359-F493 HydrophobicContact CE-CD1 4.32Å; M359-F493 HydrophobicContact CE-CE1 3.62Å; M359-F493 HydrophobicContact CE-CE2 3.88Å; M359-F493 HydrophobicContact CE-CZ 3.36Å; F493-Y502 HydrophobicContact CD2-CD2 4.25Å; F493-Y502 HydrophobicContact CD2-CG 4.49Å; F493-Y502 AromaticContact CE2-CD2 3.79Å; F493-Y502 HydrophobicContact CE2-CD2 3.79Å; F493-Y502 AromaticContact CE2-CG 3.8Å; F493-Y502 HydrophobicContact CE2-CG 3.8Å; F493-Y502 VanDerWaalsContact CZ-CB 3.49Å; F493-Y502 HydrophobicContact CZ-CD2 4.36Å; F493-Y502 AromaticContact CZ-CG 3.9Å; F493-Y502 HydrophobicContact CZ-CG 3.9Å; F493-Y502 PolarHBondContact N-O 3.42Å; F493-Y502 PolarHBondContact O-N 2.97Å; F493-F531 HydrophobicContact CE2-CE1 4.1Å; F493-F531 HydrophobicContact CE2-CZ 4.3Å; F493-F531 HydrophobicContact CZ-CD1 4.42Å; F493-F531 AromaticContact CZ-CE1 3.67Å; F493-F531 HydrophobicContact CZ-CE1 3.67Å; F493-F531 AromaticContact CZ-CZ 3.73Å; F493-F531 HydrophobicContact CZ-CZ 3.73Å
494	V	87.4	Confident	87.7	Confident	31 Å²	31	41.5 Å²	41.5	19%	0.188	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.2	175.6	-176.5	0	0	0	0	108.9	K496	V494-K496 PolarHBondContact O-N 2.8Å
495	H	82.4	Confident	88.2	Confident	55 Å²	55	42.6 Å²	42.6	26%	0.255	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	106	174.9	-171.7	-84.2	0	0	0	109.9	E497 N498 G499 F500 Y502	H495-E497 VanDerWaalsContact C-N 3.25Å; H495-E497 IonicContact CE1-OE2 2.71Å; H495-E497 PolarHBondContact CE1-OE2 3.38Å; H495-E497 PolarHBondContact O-N 2.72Å; H495-E497 VanDerWaalsContact O-N 3.13Å; H495-N498 WeakPolarHBondContact CB-OD1 3.33Å; H495-N498 PolarHBondContact ND1-ND2 2.81Å; H495-N498 VanDerWaalsContact ND1-ND2 3.16Å; H495-N498 PolarHBondContact ND1-OD1 2.69Å; H495-N498 PolarHBondContact O-N 3.03Å; H495-N498 PolarHBondContact O-OD1 2.83Å; H495-G499 PolarHBondContact O-N 2.74Å; H495-F500 PolarHBondContact N-O 2.94Å; H495-Y502 HydrophobicContact CB-CD2 4.05Å; H495-Y502 HydrophobicContact CB-CE2 3.55Å
496	K	74.2	Confident	88.2	Confident	135 Å²	135	42.7 Å²	42.7	59%	0.587	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.3	-169.2	-65.2	-159.3	-179.8	-149.3	0	114.4	E448 V494 N498	E448-K496 IonicContact OE1-NZ 3.89Å; E448-K496 WeakPolarHBondContact OE2-CE 3.43Å; E448-K496 IonicContact OE2-NZ 3.08Å; E448-K496 PolarHBondContact OE2-NZ 2.94Å; V494-K496 PolarHBondContact O-N 2.8Å; K496-N498 PolarHBondContact O-N 3.48Å
497	E	74	Confident	88.1	Confident	180 Å²	180	47.2 Å²	47.2	84%	0.841	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-27.9	-174.6	-55.3	179.7	166.6	0	0	113.8	H495	H495-E497 VanDerWaalsContact C-N 3.25Å; H495-E497 IonicContact CE1-OE2 2.71Å; H495-E497 PolarHBondContact CE1-OE2 3.38Å; H495-E497 PolarHBondContact O-N 2.72Å; H495-E497 VanDerWaalsContact O-N 3.13Å
498	N	78.7	Confident	88.4	Confident	64 Å²	64	45.9 Å²	45.9	34%	0.342	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-6.4	-175.5	62.5	31.2	0	0	0	113.1	H495 K496 F500 Y502	H495-N498 WeakPolarHBondContact CB-OD1 3.33Å; H495-N498 PolarHBondContact ND1-ND2 2.81Å; H495-N498 VanDerWaalsContact ND1-ND2 3.16Å; H495-N498 PolarHBondContact ND1-OD1 2.69Å; H495-N498 PolarHBondContact O-N 3.03Å; H495-N498 PolarHBondContact O-OD1 2.83Å; K496-N498 PolarHBondContact O-N 3.48Å; N498-F500 HydrophobicContact CB-CD2 3.76Å; N498-F500 HydrophobicContact CB-CE2 4.17Å; N498-F500 WeakPolarHBondContact O-CD2 3.15Å; N498-F500 WeakPolarHBondContact O-CE2 3.12Å; N498-F500 PolarHBondContact O-N 2.97Å; N498-F500 WeakPolarHBondContact OD1-CD2 3.36Å; N498-F500 PolarHBondContact OD1-N 3.43Å; N498-F500 VanDerWaalsContact OD1-N 3.16Å; N498-Y502 PolarHBondContact ND2-OH 3.45Å
499	G	74.8	Confident	88.6	Confident	29 Å²	29	44.5 Å²	44.5	30%	0.299	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	13.9	175.3	0	0	0	0	0	114.7	H495 N514	H495-G499 PolarHBondContact O-N 2.74Å; G499-N514 PolarHBondContact O-ND2 3.16Å
500	F	87	Confident	88.8	Confident	40 Å²	40	45.8 Å²	45.8	18%	0.175	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	148.3	175.8	-67.2	-91.1	0	0	0	111.4	H495 N498 Y502 K511 F512 N513 E520	H495-F500 PolarHBondContact N-O 2.94Å; N498-F500 HydrophobicContact CB-CD2 3.76Å; N498-F500 HydrophobicContact CB-CE2 4.17Å; N498-F500 WeakPolarHBondContact O-CD2 3.15Å; N498-F500 WeakPolarHBondContact O-CE2 3.12Å; N498-F500 PolarHBondContact O-N 2.97Å; N498-F500 WeakPolarHBondContact OD1-CD2 3.36Å; N498-F500 PolarHBondContact OD1-N 3.43Å; N498-F500 VanDerWaalsContact OD1-N 3.16Å; F500-Y502 HydrophobicContact CB-CE2 3.78Å; F500-K511 HydrophobicContact CB-CG 4.04Å; F500-K511 HydrophobicContact CD1-CD 4.3Å; F500-K511 VanDerWaalsContact CD1-CE 3.45Å; F500-K511 HydrophobicContact CD1-CG 3.95Å; F500-K511 HydrophobicContact CG-CD 4.32Å; F500-K511 HydrophobicContact CG-CG 4.09Å; F500-F512 WeakPolarHBondContact CD1-O 3.28Å; F500-N513 HydrophobicContact CD1-CB 4.18Å; F500-N513 HydrophobicContact CE1-CB 3.9Å; F500-E520 HydrophobicContact CD1-CG 4.35Å; F500-E520 HydrophobicContact CE1-CG 3.89Å
501	T	88.9	Confident	88.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	134	171	-57.4	0	0	0	0	109.2	I445 F503 F512 N514	I445-T501 HydrophobicContact CD1-CG2 3.75Å; T501-F503 HydrophobicContact CG2-CD2 4.09Å; T501-F503 HydrophobicContact CG2-CE2 3.5Å; T501-F503 VanDerWaalsContact CG2-CE2 3.5Å; T501-F503 HydrophobicContact CG2-CZ 3.79Å; T501-F512 PolarHBondContact N-O 2.91Å; T501-F512 VanDerWaalsContact N-O 3.08Å; T501-F512 WeakPolarHBondContact O-CA 3.03Å; T501-F512 VanDerWaalsContact O-CB 3.28Å; T501-F512 WeakPolarHBondContact O-CB 3.34Å; T501-F512 PolarHBondContact O-N 3.41Å; T501-N514 WeakPolarHBondContact CB-OD1 3.15Å; T501-N514 VanDerWaalsContact OG1-CG 3.24Å; T501-N514 PolarHBondContact OG1-ND2 2.77Å; T501-N514 PolarHBondContact OG1-OD1 2.84Å
502	Y	93.8	Very high	88.5	Confident	15 Å²	15	44.7 Å²	44.7	6%	0.059	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.9	178.1	-65.9	-100.2	0	0	0	108.5	A492 F493 H495 N498 F500 Y509 W510 K511 F531	A492-Y502 CarbonylContact C-O 3.55Å; A492-Y502 WeakPolarHBondContact CA-O 3.24Å; A492-Y502 WeakPolarHBondContact CB-O 3.4Å; F493-Y502 HydrophobicContact CD2-CD2 4.25Å; F493-Y502 HydrophobicContact CD2-CG 4.49Å; F493-Y502 AromaticContact CE2-CD2 3.79Å; F493-Y502 HydrophobicContact CE2-CD2 3.79Å; F493-Y502 AromaticContact CE2-CG 3.8Å; F493-Y502 HydrophobicContact CE2-CG 3.8Å; F493-Y502 VanDerWaalsContact CZ-CB 3.49Å; F493-Y502 HydrophobicContact CZ-CD2 4.36Å; F493-Y502 AromaticContact CZ-CG 3.9Å; F493-Y502 HydrophobicContact CZ-CG 3.9Å; F493-Y502 PolarHBondContact N-O 3.42Å; F493-Y502 PolarHBondContact O-N 2.97Å; H495-Y502 HydrophobicContact CB-CD2 4.05Å; H495-Y502 HydrophobicContact CB-CE2 3.55Å; N498-Y502 PolarHBondContact ND2-OH 3.45Å; F500-Y502 HydrophobicContact CB-CE2 3.78Å; Y502-Y509 AromaticContact CD1-CD2 3.72Å; Y502-Y509 HydrophobicContact CD1-CD2 3.72Å; Y502-Y509 AromaticContact CD1-CE2 3.68Å; Y502-Y509 HydrophobicContact CD1-CE2 3.68Å; Y502-Y509 HydrophobicContact CE1-CD2 4.43Å; Y502-Y509 AromaticContact CE1-CE2 3.93Å; Y502-Y509 HydrophobicContact CE1-CE2 3.93Å; Y502-W510 WeakPolarHBondContact CA-O 3.22Å; Y502-K511 HydrophobicContact CD1-CB 4.16Å; Y502-K511 HydrophobicContact CD1-CG 4.37Å; Y502-K511 HydrophobicContact CE1-CB 3.82Å; Y502-K511 HydrophobicContact CE1-CD 4.01Å; Y502-K511 HydrophobicContact CE1-CG 3.71Å; Y502-K511 WeakPolarHBondContact OH-CE 3.42Å; Y502-F531 HydrophobicContact CD1-CZ 4.11Å; Y502-F531 HydrophobicContact CE1-CZ 4.33Å
503	F	94.6	Very high	88	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	142.1	174.8	-69.3	-90.4	0	0	0	109.6	I445 F456 W482 I485 P489 A492 T501 Y509 W510 F512	I445-F503 HydrophobicContact CD1-CZ 4.34Å; F456-F503 HydrophobicContact CD2-CE1 4.49Å; F456-F503 AromaticContact CE1-CE1 3.99Å; F456-F503 HydrophobicContact CE1-CE1 3.99Å; F456-F503 HydrophobicContact CE1-CZ 4.38Å; F456-F503 AromaticContact CE2-CE1 3.89Å; F456-F503 HydrophobicContact CE2-CE1 3.89Å; F456-F503 HydrophobicContact CE2-CZ 4.45Å; F456-F503 AromaticContact CZ-CE1 3.61Å; F456-F503 HydrophobicContact CZ-CE1 3.61Å; F456-F503 AromaticContact CZ-CZ 3.88Å; F456-F503 HydrophobicContact CZ-CZ 3.88Å; W482-F503 HydrophobicContact CD2-CZ 4.25Å; W482-F503 AromaticContact CE3-CE2 3.94Å; W482-F503 HydrophobicContact CE3-CE2 3.94Å; W482-F503 AromaticContact CE3-CZ 3.6Å; W482-F503 HydrophobicContact CE3-CZ 3.6Å; W482-F503 HydrophobicContact CZ3-CE2 4.21Å; W482-F503 AromaticContact CZ3-CZ 3.78Å; W482-F503 HydrophobicContact CZ3-CZ 3.78Å; I485-F503 HydrophobicContact CB-CD2 4.31Å; I485-F503 HydrophobicContact CB-CG 4.31Å; I485-F503 HydrophobicContact CD1-CD1 3.88Å; I485-F503 HydrophobicContact CD1-CD2 4.37Å; I485-F503 HydrophobicContact CD1-CE1 3.69Å; I485-F503 HydrophobicContact CD1-CE2 4.19Å; I485-F503 HydrophobicContact CD1-CG 4.21Å; I485-F503 HydrophobicContact CD1-CZ 3.85Å; I485-F503 HydrophobicContact CG2-CD2 3.6Å; I485-F503 HydrophobicContact CG2-CE2 3.88Å; I485-F503 HydrophobicContact CG2-CG 4.09Å; P489-F503 HydrophobicContact CB-CD1 3.95Å; P489-F503 HydrophobicContact CG-CD1 4.02Å; P489-F503 HydrophobicContact CG-CE1 4.48Å; A492-F503 HydrophobicContact CB-CD1 3.67Å; A492-F503 HydrophobicContact CB-CE1 3.9Å; A492-F503 HydrophobicContact CB-CG 4.28Å; T501-F503 HydrophobicContact CG2-CD2 4.09Å; T501-F503 HydrophobicContact CG2-CE2 3.5Å; T501-F503 VanDerWaalsContact CG2-CE2 3.5Å; T501-F503 HydrophobicContact CG2-CZ 3.79Å; F503-Y509 CarbonylContact O-C 3.44Å; F503-Y509 WeakPolarHBondContact O-CA 3.25Å; F503-Y509 WeakPolarHBondContact O-CB 3.47Å; F503-W510 HydrophobicContact CB-CB 4.46Å; F503-W510 PolarHBondContact N-O 3.33Å; F503-W510 PolarHBondContact O-N 3.05Å; F503-F512 HydrophobicContact CD2-CB 3.9Å; F503-F512 HydrophobicContact CE2-CB 3.76Å; F503-F512 HydrophobicContact CE2-CD1 4.35Å; F503-F512 AromaticContact CE2-CG 3.98Å; F503-F512 HydrophobicContact CE2-CG 3.98Å
504	Y	95.1	Very high	87.4	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.1	-178.5	160.1	-101.6	0	0	0	111.3	F349 L352 Q490 G491 G506 E508 I527	F349-Y504 HydrophobicContact CB-CE1 4.11Å; F349-Y504 WeakPolarHBondContact CB-OH 3.32Å; F349-Y504 HydrophobicContact CD2-CE1 4.41Å; F349-Y504 HydrophobicContact CD2-CE2 4.13Å; F349-Y504 AromaticContact CD2-CZ 3.74Å; F349-Y504 WeakPolarHBondContact CD2-OH 3.33Å; F349-Y504 PolarHBondContact N-OH 3.39Å; F349-Y504 PolarHBondContact O-OH 3.35Å; L352-Y504 HydrophobicContact CD1-CG 4.45Å; L352-Y504 HydrophobicContact CD2-CD1 3.68Å; L352-Y504 HydrophobicContact CD2-CD2 3.85Å; L352-Y504 HydrophobicContact CD2-CE1 4.23Å; L352-Y504 HydrophobicContact CD2-CE2 4.38Å; L352-Y504 HydrophobicContact CD2-CG 3.46Å; L352-Y504 VanDerWaalsContact CD2-CG 3.46Å; L352-Y504 HydrophobicContact CG-CD1 3.81Å; L352-Y504 HydrophobicContact CG-CG 3.94Å; Q490-Y504 HydrophobicContact CB-CD1 3.89Å; Q490-Y504 HydrophobicContact CB-CE1 3.87Å; Q490-Y504 PolarHBondContact N-O 3.17Å; G491-Y504 PolarHBondContact N-O 2.89Å; G491-Y504 PolarHBondContact O-N 3.47Å; Y504-G506 WeakPolarHBondContact CE2-O 3.41Å; Y504-G506 PolarHBondContact OH-O 3.08Å; Y504-E508 WeakPolarHBondContact CD2-O 3.5Å; Y504-I527 HydrophobicContact CD2-CB 4.2Å; Y504-I527 HydrophobicContact CD2-CG1 4.2Å; Y504-I527 HydrophobicContact CD2-CG2 4.05Å; Y504-I527 HydrophobicContact CE2-CB 4.43Å; Y504-I527 HydrophobicContact CE2-CG2 3.77Å
505	K	94.1	Very high	86.7	Confident	77 Å²	77	53 Å²	53	34%	0.335	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	128.7	171.4	-167	177.3	-177.6	-178.3	0	110.5	P486 E487 Q490 K507 E508 W510	P486-K505 HydrophobicContact CB-CB 4.49Å; P486-K505 HydrophobicContact CB-CD 3.69Å; P486-K505 HydrophobicContact CG-CB 3.91Å; P486-K505 HydrophobicContact CG-CD 3.96Å; E487-K505 WeakPolarHBondContact O-CE 3.26Å; E487-K505 PolarHBondContact O-NZ 3.3Å; Q490-K505 HydrophobicContact CG-CG 4.42Å; K505-K507 PolarHBondContact O-N 3.35Å; K505-E508 PolarHBondContact N-O 3.34Å; K505-E508 PolarHBondContact O-N 3.4Å; K505-E508 VanDerWaalsContact O-N 3.1Å; K505-W510 HydrophobicContact CB-CH2 4.13Å; K505-W510 HydrophobicContact CB-CZ3 3.77Å
506	G	90.7	Very high	86.2	Confident	22 Å²	22	55.5 Å²	55.5	23%	0.227	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	-107.6	177.5	0	0	0	0	0	112.7	Y504	Y504-G506 WeakPolarHBondContact CE2-O 3.41Å; Y504-G506 PolarHBondContact OH-O 3.08Å
507	K	91.1	Very high	86.3	Confident	115 Å²	115	52.7 Å²	52.7	50%	0.5	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	8.6	175.9	-64.6	-174.9	178	-175.5	0	112.3	K505 I527 L528	K505-K507 PolarHBondContact O-N 3.35Å; K507-I527 PolarHBondContact O-N 3.06Å; K507-I527 VanDerWaalsContact O-N 3.14Å; K507-L528 HydrophobicContact CD-CD1 4.38Å
508	E	94.4	Very high	86.5	Confident	92 Å²	92	50.1 Å²	50.1	43%	0.43	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	155.2	-167.4	-69.3	-176.7	141.5	0	0	111.2	Y504 K505 W510 P524 R525	Y504-E508 WeakPolarHBondContact CD2-O 3.5Å; K505-E508 PolarHBondContact N-O 3.34Å; K505-E508 PolarHBondContact O-N 3.4Å; K505-E508 VanDerWaalsContact O-N 3.1Å; E508-W510 HydrophobicContact CB-CH2 3.57Å; E508-W510 HydrophobicContact CB-CZ2 4.31Å; E508-W510 HydrophobicContact CB-CZ3 3.76Å; E508-W510 WeakPolarHBondContact O-CZ3 3.23Å; E508-P524 HydrophobicContact CB-CB 3.88Å; E508-P524 HydrophobicContact CG-CB 4.24Å; E508-R525 CarbonylContact C-O 3.51Å; E508-R525 VanDerWaalsContact CA-O 3.28Å; E508-R525 WeakPolarHBondContact CA-O 3.37Å
509	Y	95.6	Very high	87	Confident	8 Å²	8	48.1 Å²	48.1	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	151.8	172.1	80.8	-84.9	0	0	0	111.9	Y502 F503 Y523 P524 R525 I527 D530 F531	Y502-Y509 AromaticContact CD1-CD2 3.72Å; Y502-Y509 HydrophobicContact CD1-CD2 3.72Å; Y502-Y509 AromaticContact CD1-CE2 3.68Å; Y502-Y509 HydrophobicContact CD1-CE2 3.68Å; Y502-Y509 HydrophobicContact CE1-CD2 4.43Å; Y502-Y509 AromaticContact CE1-CE2 3.93Å; Y502-Y509 HydrophobicContact CE1-CE2 3.93Å; F503-Y509 CarbonylContact O-C 3.44Å; F503-Y509 WeakPolarHBondContact O-CA 3.25Å; F503-Y509 WeakPolarHBondContact O-CB 3.47Å; Y509-Y523 HydrophobicContact CD2-CD1 4.3Å; Y509-Y523 HydrophobicContact CD2-CE1 4.13Å; Y509-Y523 AromaticContact CE2-CD1 3.92Å; Y509-Y523 HydrophobicContact CE2-CD1 3.92Å; Y509-Y523 AromaticContact CE2-CE1 3.33Å; Y509-Y523 HydrophobicContact CE2-CE1 3.33Å; Y509-Y523 AromaticContact CZ-CE1 3.65Å; Y509-P524 VanDerWaalsContact O-CA 3.25Å; Y509-P524 WeakPolarHBondContact O-CA 3.42Å; Y509-R525 HydrophobicContact CD1-CB 4.17Å; Y509-R525 WeakPolarHBondContact CD1-O 3.15Å; Y509-R525 HydrophobicContact CE1-CB 3.47Å; Y509-R525 VanDerWaalsContact CE1-CB 3.47Å; Y509-R525 PolarHBondContact N-O 2.81Å; Y509-R525 PolarHBondContact O-N 3.18Å; Y509-R525 PolarHBondContact OH-NH1 3.23Å; Y509-I527 HydrophobicContact CD1-CB 4.19Å; Y509-I527 HydrophobicContact CD1-CD1 4.01Å; Y509-I527 HydrophobicContact CG-CD1 4Å; Y509-D530 HydrophobicContact CE1-CB 3.85Å; Y509-D530 WeakPolarHBondContact CE1-OD2 3.16Å; Y509-D530 PolarHBondContact OH-OD2 3.3Å; Y509-F531 HydrophobicContact CD1-CD2 4.24Å; Y509-F531 HydrophobicContact CD1-CE2 4.07Å; Y509-F531 AromaticContact CD2-CE2 3.89Å; Y509-F531 HydrophobicContact CD2-CE2 3.89Å; Y509-F531 HydrophobicContact CE1-CD2 4.06Å; Y509-F531 AromaticContact CE1-CE2 3.82Å; Y509-F531 HydrophobicContact CE1-CE2 3.82Å; Y509-F531 AromaticContact CE2-CE2 3.58Å; Y509-F531 HydrophobicContact CE2-CE2 3.58Å; Y509-F531 HydrophobicContact CE2-CZ 4.31Å; Y509-F531 HydrophobicContact CG-CE2 4.1Å; Y509-F531 AromaticContact CZ-CE2 3.56Å
510	W	96.1	Very high	87.8	Confident	27 Å²	27	49.1 Å²	49.1	10%	0.102	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.1	-178.4	-66.2	-107.8	0	0	0	109.5	G484 P486 Y502 F503 K505 E508 V519 P524	G484-W510 VanDerWaalsContact O-CD1 3.26Å; P486-W510 HydrophobicContact CB-CH2 4.25Å; P486-W510 HydrophobicContact CB-CZ2 4.23Å; P486-W510 HydrophobicContact CG-CD2 4.06Å; P486-W510 HydrophobicContact CG-CE3 3.76Å; P486-W510 HydrophobicContact CG-CH2 3.85Å; P486-W510 HydrophobicContact CG-CZ2 4.06Å; P486-W510 HydrophobicContact CG-CZ3 3.69Å; Y502-W510 WeakPolarHBondContact CA-O 3.22Å; F503-W510 HydrophobicContact CB-CB 4.46Å; F503-W510 PolarHBondContact N-O 3.33Å; F503-W510 PolarHBondContact O-N 3.05Å; K505-W510 HydrophobicContact CB-CH2 4.13Å; K505-W510 HydrophobicContact CB-CZ3 3.77Å; E508-W510 HydrophobicContact CB-CH2 3.57Å; E508-W510 HydrophobicContact CB-CZ2 4.31Å; E508-W510 HydrophobicContact CB-CZ3 3.76Å; E508-W510 WeakPolarHBondContact O-CZ3 3.23Å; W510-V519 HydrophobicContact CB-CG1 4.26Å; W510-V519 HydrophobicContact CB-CG2 4.01Å; W510-V519 HydrophobicContact CG-CG2 4.46Å; W510-P524 HydrophobicContact CD2-CB 4.01Å; W510-P524 HydrophobicContact CG-CB 4.42Å; W510-P524 HydrophobicContact CH2-CB 4.28Å; W510-P524 HydrophobicContact CZ2-CB 3.73Å; W510-P524 HydrophobicContact CZ2-CG 3.89Å
511	K	93.9	Very high	87.9	Confident	39 Å²	39	52.4 Å²	52.4	17%	0.17	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	113.6	171.3	-177.8	179	178.4	-177.6	0	109.3	F500 Y502 V519 E520 Y523	F500-K511 HydrophobicContact CB-CG 4.04Å; F500-K511 HydrophobicContact CD1-CD 4.3Å; F500-K511 VanDerWaalsContact CD1-CE 3.45Å; F500-K511 HydrophobicContact CD1-CG 3.95Å; F500-K511 HydrophobicContact CG-CD 4.32Å; F500-K511 HydrophobicContact CG-CG 4.09Å; Y502-K511 HydrophobicContact CD1-CB 4.16Å; Y502-K511 HydrophobicContact CD1-CG 4.37Å; Y502-K511 HydrophobicContact CE1-CB 3.82Å; Y502-K511 HydrophobicContact CE1-CD 4.01Å; Y502-K511 HydrophobicContact CE1-CG 3.71Å; Y502-K511 WeakPolarHBondContact OH-CE 3.42Å; K511-V519 WeakPolarHBondContact O-CA 3.45Å; K511-E520 HydrophobicContact CD-CG 4.38Å; K511-E520 HydrophobicContact CG-CG 4.33Å; K511-E520 PolarHBondContact O-N 3.24Å; K511-Y523 HydrophobicContact CB-CD1 3.82Å; K511-Y523 HydrophobicContact CB-CD2 3.82Å; K511-Y523 HydrophobicContact CB-CE1 3.52Å; K511-Y523 HydrophobicContact CB-CE2 3.52Å; K511-Y523 HydrophobicContact CB-CG 3.96Å; K511-Y523 HydrophobicContact CD-CE2 3.85Å; K511-Y523 WeakPolarHBondContact CD-OH 3.32Å; K511-Y523 HydrophobicContact CG-CE2 4.28Å
512	F	87.6	Confident	87.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.2	-177.3	-173.5	-95.1	0	0	0	111.2	W482 I485 F500 T501 F503 N514 L517 V519	W482-F512 HydrophobicContact CB-CE2 4.07Å; W482-F512 HydrophobicContact CB-CZ 4.24Å; W482-F512 HydrophobicContact CD2-CE1 4.5Å; W482-F512 HydrophobicContact CD2-CZ 4.3Å; W482-F512 AromaticContact CE3-CD1 3.88Å; W482-F512 HydrophobicContact CE3-CD1 3.88Å; W482-F512 AromaticContact CE3-CE1 3.42Å; W482-F512 HydrophobicContact CE3-CE1 3.42Å; W482-F512 VanDerWaalsContact CE3-CE1 3.42Å; W482-F512 HydrophobicContact CE3-CE2 4.18Å; W482-F512 HydrophobicContact CE3-CG 4.41Å; W482-F512 AromaticContact CE3-CZ 3.57Å; W482-F512 HydrophobicContact CE3-CZ 3.57Å; W482-F512 HydrophobicContact CZ3-CD1 4.03Å; W482-F512 AromaticContact CZ3-CE1 3.7Å; W482-F512 HydrophobicContact CZ3-CE1 3.7Å; W482-F512 HydrophobicContact CZ3-CZ 4.3Å; I485-F512 HydrophobicContact CG2-CB 4.45Å; I485-F512 HydrophobicContact CG2-CD2 3.61Å; I485-F512 HydrophobicContact CG2-CE2 4.21Å; I485-F512 HydrophobicContact CG2-CG 4.32Å; F500-F512 WeakPolarHBondContact CD1-O 3.28Å; T501-F512 PolarHBondContact N-O 2.91Å; T501-F512 VanDerWaalsContact N-O 3.08Å; T501-F512 WeakPolarHBondContact O-CA 3.03Å; T501-F512 VanDerWaalsContact O-CB 3.28Å; T501-F512 WeakPolarHBondContact O-CB 3.34Å; T501-F512 PolarHBondContact O-N 3.41Å; F503-F512 HydrophobicContact CD2-CB 3.9Å; F503-F512 HydrophobicContact CE2-CB 3.76Å; F503-F512 HydrophobicContact CE2-CD1 4.35Å; F503-F512 AromaticContact CE2-CG 3.98Å; F503-F512 HydrophobicContact CE2-CG 3.98Å; F512-N514 PolarHBondContact O-N 3.21Å; F512-L517 HydrophobicContact CE1-CD2 4.02Å; F512-L517 VanDerWaalsContact CE2-C 3.46Å; F512-L517 HydrophobicContact CZ-CB 4.1Å; F512-L517 HydrophobicContact CZ-CD2 4.14Å; F512-V519 HydrophobicContact CD2-CG2 4.01Å
513	N	82.4	Confident	87.9	Confident	15 Å²	15	57.3 Å²	57.3	8%	0.08	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	108.5	175.1	-170.7	-39.8	0	0	0	109.8	F500 Q515 M516 L517 R518 E520	F500-N513 HydrophobicContact CD1-CB 4.18Å; F500-N513 HydrophobicContact CE1-CB 3.9Å; N513-Q515 PolarHBondContact O-N 2.99Å; N513-Q515 WeakPolarHBondContact OD1-CB 3.27Å; N513-Q515 PolarHBondContact OD1-N 3.43Å; N513-M516 HydrophobicContact CB-CB 4.18Å; N513-M516 PolarHBondContact O-N 3.02Å; N513-M516 PolarHBondContact OD1-N 3.17Å; N513-L517 WeakPolarHBondContact O-CA 3.31Å; N513-L517 PolarHBondContact O-N 3.42Å; N513-R518 WeakPolarHBondContact CB-O 3.41Å; N513-R518 PolarHBondContact N-O 3.11Å; N513-R518 PolarHBondContact O-N 2.6Å; N513-E520 HydrophobicContact CB-CG 4.27Å; N513-E520 VanDerWaalsContact CB-OE1 3.28Å; N513-E520 WeakPolarHBondContact CB-OE1 3.38Å; N513-E520 PolarHBondContact ND2-OE1 3.12Å
514	N	77.9	Confident	87.9	Confident	16 Å²	16	59.9 Å²	59.9	9%	0.086	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.6	-177.9	-79.5	-19.1	0	0	0	113.8	W447 G499 T501 F512 L517	W447-N514 HydrophobicContact CH2-CB 3.75Å; W447-N514 HydrophobicContact CZ2-CB 3.43Å; W447-N514 VanDerWaalsContact CZ2-CB 3.43Å; G499-N514 PolarHBondContact O-ND2 3.16Å; T501-N514 WeakPolarHBondContact CB-OD1 3.15Å; T501-N514 VanDerWaalsContact OG1-CG 3.24Å; T501-N514 PolarHBondContact OG1-ND2 2.77Å; T501-N514 PolarHBondContact OG1-OD1 2.84Å; F512-N514 PolarHBondContact O-N 3.21Å; N514-L517 WeakPolarHBondContact O-CD2 3.33Å
515	Q	73.1	Confident	87.8	Confident	183 Å²	183	64.9 Å²	64.9	86%	0.855	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-42.4	178.7	-62.8	179.2	-14	0	0	112	N513 L517	N513-Q515 PolarHBondContact O-N 2.99Å; N513-Q515 WeakPolarHBondContact OD1-CB 3.27Å; N513-Q515 PolarHBondContact OD1-N 3.43Å; Q515-L517 VanDerWaalsContact C-N 3.33Å
516	M	71.9	Confident	87.8	Confident	108 Å²	108	62.9 Å²	62.9	53%	0.532	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-8.9	179.9	-62.9	-169.7	172.5	0	0	113.4	N513 R518	N513-M516 HydrophobicContact CB-CB 4.18Å; N513-M516 PolarHBondContact O-N 3.02Å; N513-M516 PolarHBondContact OD1-N 3.17Å; M516-R518 HydrophobicContact CB-CG 3.87Å; M516-R518 PolarHBondContact O-N 3.39Å; M516-R518 PolarHBondContact SD-NH2 3.11Å
517	L	76.4	Confident	87.8	Confident	76 Å²	76	61.9 Å²	61.9	40%	0.398	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	43.2	-175.1	-61.8	176.5	0	0	0	113.1	K483 F512 N513 N514 Q515	K483-L517 PolarHBondContact N-O 3.46Å; F512-L517 HydrophobicContact CE1-CD2 4.02Å; F512-L517 VanDerWaalsContact CE2-C 3.46Å; F512-L517 HydrophobicContact CZ-CB 4.1Å; F512-L517 HydrophobicContact CZ-CD2 4.14Å; N513-L517 WeakPolarHBondContact O-CA 3.31Å; N513-L517 PolarHBondContact O-N 3.42Å; N514-L517 WeakPolarHBondContact O-CD2 3.33Å; Q515-L517 VanDerWaalsContact C-N 3.33Å
518	R	79.1	Confident	87.9	Confident	126 Å²	126	57.3 Å²	57.3	48%	0.475	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	155.4	177.3	67.7	-178.1	179.5	176.7	-0.4	111.8	K483 N513 M516	K483-R518 HydrophobicContact CB-CB 4.12Å; K483-R518 CarbonylContact O-C 3.44Å; K483-R518 VanDerWaalsContact O-CA 3.3Å; K483-R518 WeakPolarHBondContact O-CA 3.42Å; N513-R518 WeakPolarHBondContact CB-O 3.41Å; N513-R518 PolarHBondContact N-O 3.11Å; N513-R518 PolarHBondContact O-N 2.6Å; M516-R518 HydrophobicContact CB-CG 3.87Å; M516-R518 PolarHBondContact O-N 3.39Å; M516-R518 PolarHBondContact SD-NH2 3.11Å
519	V	88.9	Confident	87.6	Confident	23 Å²	23	59.3 Å²	59.3	14%	0.139	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	138.1	169.2	172.8	0	0	0	0	110.6	K483 G484 I485 W510 K511 F512	K483-V519 PolarHBondContact O-N 2.76Å; G484-V519 WeakPolarHBondContact O-CG2 3.2Å; I485-V519 HydrophobicContact CG2-CG2 3.67Å; W510-V519 HydrophobicContact CB-CG1 4.26Å; W510-V519 HydrophobicContact CB-CG2 4.01Å; W510-V519 HydrophobicContact CG-CG2 4.46Å; K511-V519 WeakPolarHBondContact O-CA 3.45Å; F512-V519 HydrophobicContact CD2-CG2 4.01Å
520	E	91.7	Very high	87.3	Confident	49 Å²	49	60.6 Å²	60.6	23%	0.229	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-66.7	147.2	176.4	-75.6	-68.4	123.4	0	0	111.3	F500 K511 N513 Y523	F500-E520 HydrophobicContact CD1-CG 4.35Å; F500-E520 HydrophobicContact CE1-CG 3.89Å; K511-E520 HydrophobicContact CD-CG 4.38Å; K511-E520 HydrophobicContact CG-CG 4.33Å; K511-E520 PolarHBondContact O-N 3.24Å; N513-E520 HydrophobicContact CB-CG 4.27Å; N513-E520 VanDerWaalsContact CB-OE1 3.28Å; N513-E520 WeakPolarHBondContact CB-OE1 3.38Å; N513-E520 PolarHBondContact ND2-OE1 3.12Å; E520-Y523 HydrophobicContact CB-CD2 3.94Å; E520-Y523 HydrophobicContact CB-CE2 4.07Å; E520-Y523 WeakPolarHBondContact O-CD2 3.38Å
521	P	89.1	Confident	86.9	Confident	110 Å²	110	60.7 Å²	60.7	71%	0.714	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	143.7	172.2	-22.9	33.6	0	0	0	112
522	G	88.9	Confident	86.8	Confident	64 Å²	64	59.1 Å²	59.1	66%	0.66	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	10.1	179.8	0	0	0	0	0	115.4	R525	G522-R525 VanDerWaalsContact O-CG 3.27Å; G522-R525 WeakPolarHBondContact O-CG 3.33Å
523	Y	92.9	Very high	86.6	Confident	54 Å²	54	61 Å²	61	21%	0.212	33%	0.325	C	S	.	.			trans	-114.9	149.9	172.8	-68.6	-89.6	0	0	0	110.8	Y509 K511 E520 R525	Y509-Y523 HydrophobicContact CD2-CD1 4.3Å; Y509-Y523 HydrophobicContact CD2-CE1 4.13Å; Y509-Y523 AromaticContact CE2-CD1 3.92Å; Y509-Y523 HydrophobicContact CE2-CD1 3.92Å; Y509-Y523 AromaticContact CE2-CE1 3.33Å; Y509-Y523 HydrophobicContact CE2-CE1 3.33Å; Y509-Y523 AromaticContact CZ-CE1 3.65Å; K511-Y523 HydrophobicContact CB-CD1 3.82Å; K511-Y523 HydrophobicContact CB-CD2 3.82Å; K511-Y523 HydrophobicContact CB-CE1 3.52Å; K511-Y523 HydrophobicContact CB-CE2 3.52Å; K511-Y523 HydrophobicContact CB-CG 3.96Å; K511-Y523 HydrophobicContact CD-CE2 3.85Å; K511-Y523 WeakPolarHBondContact CD-OH 3.32Å; K511-Y523 HydrophobicContact CG-CE2 4.28Å; E520-Y523 HydrophobicContact CB-CD2 3.94Å; E520-Y523 HydrophobicContact CB-CE2 4.07Å; E520-Y523 WeakPolarHBondContact O-CD2 3.38Å; Y523-R525 HydrophobicContact CD1-CB 4.15Å; Y523-R525 HydrophobicContact CD1-CG 3.83Å; Y523-R525 HydrophobicContact CE1-CB 4.21Å; Y523-R525 HydrophobicContact CE1-CG 3.87Å; Y523-R525 HydrophobicContact CG-CG 4.45Å
524	P	94.6	Very high	86.8	Confident	53 Å²	53	61.1 Å²	61.1	34%	0.344	33%	0.326	S	S	.	.			cis	-72.2	155.2	9.6	24.8	-30.9	0	0	0	115.6	E508 Y509 W510	E508-P524 HydrophobicContact CB-CB 3.88Å; E508-P524 HydrophobicContact CG-CB 4.24Å; Y509-P524 VanDerWaalsContact O-CA 3.25Å; Y509-P524 WeakPolarHBondContact O-CA 3.42Å; W510-P524 HydrophobicContact CD2-CB 4.01Å; W510-P524 HydrophobicContact CG-CB 4.42Å; W510-P524 HydrophobicContact CH2-CB 4.28Å; W510-P524 HydrophobicContact CZ2-CB 3.73Å; W510-P524 HydrophobicContact CZ2-CG 3.89Å
525	R	93.8	Very high	86.5	Confident	105 Å²	105	67.5 Å²	67.5	40%	0.396	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	167.4	170	-65.1	-175.6	74	-134.6	-2.6	110.6	E508 Y509 G522 Y523 I527 D530	E508-R525 CarbonylContact C-O 3.51Å; E508-R525 VanDerWaalsContact CA-O 3.28Å; E508-R525 WeakPolarHBondContact CA-O 3.37Å; Y509-R525 HydrophobicContact CD1-CB 4.17Å; Y509-R525 WeakPolarHBondContact CD1-O 3.15Å; Y509-R525 HydrophobicContact CE1-CB 3.47Å; Y509-R525 VanDerWaalsContact CE1-CB 3.47Å; Y509-R525 PolarHBondContact N-O 2.81Å; Y509-R525 PolarHBondContact O-N 3.18Å; Y509-R525 PolarHBondContact OH-NH1 3.23Å; G522-R525 VanDerWaalsContact O-CG 3.27Å; G522-R525 WeakPolarHBondContact O-CG 3.33Å; Y523-R525 HydrophobicContact CD1-CB 4.15Å; Y523-R525 HydrophobicContact CD1-CG 3.83Å; Y523-R525 HydrophobicContact CE1-CB 4.21Å; Y523-R525 HydrophobicContact CE1-CG 3.87Å; Y523-R525 HydrophobicContact CG-CG 4.45Å; R525-I527 PolarHBondContact O-N 2.94Å; R525-D530 WeakPolarHBondContact CB-OD2 3.45Å; R525-D530 IonicContact CZ-OD1 2.94Å; R525-D530 VanDerWaalsContact CZ-OD1 3.24Å; R525-D530 IonicContact CZ-OD2 2.72Å; R525-D530 IonicContact NE-OD2 3.11Å; R525-D530 PolarHBondContact NE-OD2 2.95Å; R525-D530 IonicContact NH1-OD1 3.97Å; R525-D530 PolarHBondContact NH1-OD1 3.46Å; R525-D530 IonicContact NH1-OD2 3.12Å; R525-D530 PolarHBondContact NH1-OD2 3.43Å; R525-D530 VanDerWaalsContact NH2-CG 3.33Å; R525-D530 IonicContact NH2-OD1 3.19Å; R525-D530 PolarHBondContact NH2-OD1 2.91Å; R525-D530 IonicContact NH2-OD2 3.24Å; R525-D530 PolarHBondContact NH2-OD2 3.29Å
526	S	93.6	Very high	85.8	Confident	35 Å²	35	60.6 Å²	60.6	25%	0.245	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	118.9	-176.5	175.3	0	0	0	0	111.6	L528 K529 D530	S526-L528 PolarHBondContact O-N 3.21Å; S526-L528 PolarHBondContact OG-N 3.47Å; S526-K529 PolarHBondContact O-N 3.38Å; S526-K529 PolarHBondContact OG-N 3.2Å; S526-D530 PolarHBondContact O-N 3.44Å; S526-D530 VanDerWaalsContact O-N 3.1Å
527	I	91.8	Very high	84.3	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-64.1	-32.5	176.5	-164.5	77.4	0	0	0	110.9	F349 L352 Y504 K507 Y509 R525 F531 M532	F349-I527 HydrophobicContact CE2-CG2 4.28Å; L352-I527 HydrophobicContact CD2-CD1 4.2Å; L352-I527 HydrophobicContact CD2-CG1 4.2Å; Y504-I527 HydrophobicContact CD2-CB 4.2Å; Y504-I527 HydrophobicContact CD2-CG1 4.2Å; Y504-I527 HydrophobicContact CD2-CG2 4.05Å; Y504-I527 HydrophobicContact CE2-CB 4.43Å; Y504-I527 HydrophobicContact CE2-CG2 3.77Å; K507-I527 PolarHBondContact O-N 3.06Å; K507-I527 VanDerWaalsContact O-N 3.14Å; Y509-I527 HydrophobicContact CD1-CB 4.19Å; Y509-I527 HydrophobicContact CD1-CD1 4.01Å; Y509-I527 HydrophobicContact CG-CD1 4Å; R525-I527 PolarHBondContact O-N 2.94Å; I527-F531 HydrophobicContact CD1-CB 4.03Å; I527-F531 HydrophobicContact CD1-CD2 3.34Å; I527-F531 HydrophobicContact CD1-CE2 3.89Å; I527-F531 HydrophobicContact CD1-CG 3.81Å; I527-F531 HydrophobicContact CG1-CB 4.22Å; I527-F531 HydrophobicContact CG1-CD2 4.24Å; I527-F531 WeakPolarHBondContact O-CB 3.3Å; I527-F531 PolarHBondContact O-N 2.99Å; I527-M532 HydrophobicContact CD1-CE 4.5Å; I527-M532 HydrophobicContact CG1-CE 3.76Å; I527-M532 PolarHBondContact O-N 3.21Å
528	L	91.5	Very high	82.4	Confident	20 Å²	20	63.4 Å²	63.4	11%	0.105	37%	0.367	C	S	.	.	H	α-helix	trans	-68.1	-38.7	-176.8	-60.9	179	0	0	0	111.7	F349 K507 S526 M532 G533 C534	F349-L528 HydrophobicContact CE2-CD2 4.06Å; F349-L528 HydrophobicContact CZ-CD2 3.88Å; K507-L528 HydrophobicContact CD-CD1 4.38Å; S526-L528 PolarHBondContact O-N 3.21Å; S526-L528 PolarHBondContact OG-N 3.47Å; L528-M532 HydrophobicContact CD2-CB 4.46Å; L528-M532 HydrophobicContact CD2-CG 4.06Å; L528-M532 CarbonylContact O-C 3.59Å; L528-M532 WeakPolarHBondContact O-CB 3.35Å; L528-M532 PolarHBondContact O-N 2.87Å; L528-G533 PolarHBondContact O-N 2.99Å; L528-C534 HydrophobicContact CB-CB 4.21Å; L528-C534 WeakPolarHBondContact O-CB 3.5Å; L528-C534 PolarHBondContact O-N 3.31Å
529	K	89.3	Confident	80.2	Confident	134 Å²	134	64.1 Å²	64.1	58%	0.583	38%	0.38	S	S	*	.	H	α-helix	trans	-77.3	-51	179.3	-67	-176.4	177.7	-174.4	0	111.3	S526	S526-K529 PolarHBondContact O-N 3.38Å; S526-K529 PolarHBondContact OG-N 3.2Å
530	D	88.3	Confident	77.7	Confident	35 Å²	35	73.7 Å²	73.7	19%	0.187	41%	0.414	C	S	.	.	H	α-helix	trans	-83.5	-22.9	-168.2	-65.4	-45.1	0	0	0	113.8	N373 Y509 R525 S526	N373-D530 PolarHBondContact ND2-O 2.95Å; N373-D530 PolarHBondContact OD1-O 3Å; N373-D530 VanDerWaalsContact OD1-O 3.06Å; Y509-D530 HydrophobicContact CE1-CB 3.85Å; Y509-D530 WeakPolarHBondContact CE1-OD2 3.16Å; Y509-D530 PolarHBondContact OH-OD2 3.3Å; R525-D530 WeakPolarHBondContact CB-OD2 3.45Å; R525-D530 IonicContact CZ-OD1 2.94Å; R525-D530 VanDerWaalsContact CZ-OD1 3.24Å; R525-D530 IonicContact CZ-OD2 2.72Å; R525-D530 IonicContact NE-OD2 3.11Å; R525-D530 PolarHBondContact NE-OD2 2.95Å; R525-D530 IonicContact NH1-OD1 3.97Å; R525-D530 PolarHBondContact NH1-OD1 3.46Å; R525-D530 IonicContact NH1-OD2 3.12Å; R525-D530 PolarHBondContact NH1-OD2 3.43Å; R525-D530 VanDerWaalsContact NH2-CG 3.33Å; R525-D530 IonicContact NH2-OD1 3.19Å; R525-D530 PolarHBondContact NH2-OD1 2.91Å; R525-D530 IonicContact NH2-OD2 3.24Å; R525-D530 PolarHBondContact NH2-OD2 3.29Å; S526-D530 PolarHBondContact O-N 3.44Å; S526-D530 VanDerWaalsContact O-N 3.1Å
531	F	88.8	Confident	75.2	Confident	28 Å²	28	78.4 Å²	78.4	12%	0.123	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-32.9	-178.7	-71.9	-90.8	0	0	0	114.4	M359 V370 N373 F493 Y502 Y509 I527	M359-F531 HydrophobicContact CE-CD1 3.37Å; M359-F531 HydrophobicContact CE-CE1 3.67Å; M359-F531 HydrophobicContact CE-CG 4.21Å; M359-F531 HydrophobicContact SD-CB 4.34Å; M359-F531 HydrophobicContact SD-CD1 4.07Å; V370-F531 VanDerWaalsContact CG1-O 3.27Å; V370-F531 WeakPolarHBondContact CG1-O 3.39Å; N373-F531 VanDerWaalsContact CA-O 3.29Å; N373-F531 WeakPolarHBondContact CA-O 3.45Å; F493-F531 HydrophobicContact CE2-CE1 4.1Å; F493-F531 HydrophobicContact CE2-CZ 4.3Å; F493-F531 HydrophobicContact CZ-CD1 4.42Å; F493-F531 AromaticContact CZ-CE1 3.67Å; F493-F531 HydrophobicContact CZ-CE1 3.67Å; F493-F531 AromaticContact CZ-CZ 3.73Å; F493-F531 HydrophobicContact CZ-CZ 3.73Å; Y502-F531 HydrophobicContact CD1-CZ 4.11Å; Y502-F531 HydrophobicContact CE1-CZ 4.33Å; Y509-F531 HydrophobicContact CD1-CD2 4.24Å; Y509-F531 HydrophobicContact CD1-CE2 4.07Å; Y509-F531 AromaticContact CD2-CE2 3.89Å; Y509-F531 HydrophobicContact CD2-CE2 3.89Å; Y509-F531 HydrophobicContact CE1-CD2 4.06Å; Y509-F531 AromaticContact CE1-CE2 3.82Å; Y509-F531 HydrophobicContact CE1-CE2 3.82Å; Y509-F531 AromaticContact CE2-CE2 3.58Å; Y509-F531 HydrophobicContact CE2-CE2 3.58Å; Y509-F531 HydrophobicContact CE2-CZ 4.31Å; Y509-F531 HydrophobicContact CG-CE2 4.1Å; Y509-F531 AromaticContact CZ-CE2 3.56Å; I527-F531 HydrophobicContact CD1-CB 4.03Å; I527-F531 HydrophobicContact CD1-CD2 3.34Å; I527-F531 HydrophobicContact CD1-CE2 3.89Å; I527-F531 HydrophobicContact CD1-CG 3.81Å; I527-F531 HydrophobicContact CG1-CB 4.22Å; I527-F531 HydrophobicContact CG1-CD2 4.24Å; I527-F531 WeakPolarHBondContact O-CB 3.3Å; I527-F531 PolarHBondContact O-N 2.99Å
532	M	91.1	Very high	72.6	Confident	6 Å²	6	82.2 Å²	82.2	3%	0.03	45%	0.446	C	S	.	.	S	Bend	trans	-93.5	-4.9	-175.1	-50.1	-59	151.7	0	0	113.9	I344 F349 M359 V361 V370 I527 L528 C534	I344-M532 HydrophobicContact CD1-CB 4.35Å; I344-M532 HydrophobicContact CD1-CG 4.33Å; I344-M532 HydrophobicContact CD1-SD 3.55Å; I344-M532 VanDerWaalsContact CD1-SD 3.55Å; I344-M532 HydrophobicContact CG1-CB 4.37Å; I344-M532 HydrophobicContact CG1-CG 4.3Å; I344-M532 HydrophobicContact CG1-SD 4.01Å; F349-M532 HydrophobicContact CE2-CE 3.99Å; F349-M532 HydrophobicContact CE2-CG 4.2Å; F349-M532 HydrophobicContact CE2-SD 4.31Å; F349-M532 HydrophobicContact CZ-CG 4.12Å; F349-M532 HydrophobicContact CZ-SD 4.28Å; M359-M532 HydrophobicContact SD-CE 3.9Å; V361-M532 HydrophobicContact CG2-CE 3.68Å; V361-M532 HydrophobicContact CG2-SD 3.94Å; V370-M532 HydrophobicContact CG2-SD 4.08Å; I527-M532 HydrophobicContact CD1-CE 4.5Å; I527-M532 HydrophobicContact CG1-CE 3.76Å; I527-M532 PolarHBondContact O-N 3.21Å; L528-M532 HydrophobicContact CD2-CB 4.46Å; L528-M532 HydrophobicContact CD2-CG 4.06Å; L528-M532 CarbonylContact O-C 3.59Å; L528-M532 WeakPolarHBondContact O-CB 3.35Å; L528-M532 PolarHBondContact O-N 2.87Å; M532-C534 VanDerWaalsContact C-N 3.25Å; M532-C534 PolarHBondContact O-N 2.71Å
533	G	83.9	Confident	70.4	Confident	41 Å²	41	86.7 Å²	86.7	42%	0.423	46%	0.455	S	S	.	.			trans	68.6	23.2	-179.9	0	0	0	0	0	113.7	N373 L528 D535	N373-G533 VanDerWaalsContact O-CA 3.27Å; N373-G533 WeakPolarHBondContact O-CA 3.34Å; N373-G533 PolarHBondContact O-N 3.17Å; L528-G533 PolarHBondContact O-N 2.99Å; G533-D535 PolarHBondContact O-N 3.47Å
534	C	85.3	Confident	67.8	Low	16 Å²	16	95.1 Å²	95.1	11%	0.108	49%	0.486	C	S	.	.			trans	-87.6	96.1	179.7	-57.4	0	0	0	0	109.8	C345 L528 M532	C345-C534 WeakPolarHBondContact CA-SG 3.34Å; C345-C534 HydrophobicContact CB-CB 3.87Å; C345-C534 WeakPolarHBondContact CB-SG 3.44Å; C345-C534 WeakPolarHBondContact SG-CB 3.38Å; C345-C534 CovalentContact SG-SG 2.04Å; C345-C534 PolarHBondContact SG-SG 2.9Å; L528-C534 HydrophobicContact CB-CB 4.21Å; L528-C534 WeakPolarHBondContact O-CB 3.5Å; L528-C534 PolarHBondContact O-N 3.31Å; M532-C534 VanDerWaalsContact C-N 3.25Å; M532-C534 PolarHBondContact O-N 2.71Å
535	D	72.9	Confident	64.8	Low	151 Å²	151	101.5 Å²	101.5	81%	0.807	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-71.1	130.2	168.5	-69.9	-39	0	0	0	109.9	G533	G533-D535 PolarHBondContact O-N 3.47Å
536	G	57.8	Low	61.7	Low	37 Å²	37	102.1 Å²	102.1	38%	0.381	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-67.1	166.4	170.4	0	0	0	0	0	111.2	T538	G536-T538 PolarHBondContact O-N 3.17Å
537	P	39.8	Very low	59.2	Low	135 Å²	135	106 Å²	106	88%	0.877	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-51.8	122.3	165.5	22.7	-30.6	0	0	0	108.1	D539	P537-D539 PolarHBondContact O-N 3.36Å
538	T	36.6	Very low	56.8	Low	108 Å²	108	113.7 Å²	113.7	66%	0.663	59%	0.592	S	S	*	*			trans	-65.6	107.9	-175.9	44.4	0	0	0	0	108.8	G536 R540	G536-T538 PolarHBondContact O-N 3.17Å; T538-R540 PolarHBondContact O-N 3.32Å
539	D	34.6	Very low	54	Low	142 Å²	142	120.6 Å²	120.6	76%	0.759	63%	0.629	S	S	*	*			trans	-72.9	79.4	166.8	-147.4	2.1	0	0	0	106.7	P537 D541	P537-D539 PolarHBondContact O-N 3.36Å; D539-D541 PolarHBondContact O-N 3.47Å
540	R	36.1	Very low	51.4	Low	223 Å²	223	121 Å²	121	84%	0.842	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	29.4	-178.3	-86.5	-170.3	172.5	-174.1	-1.6	113.3	T538	T538-R540 PolarHBondContact O-N 3.32Å
541	D	37.5	Very low	48.8	Very low	148 Å²	148	125 Å²	125	79%	0.791	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.1	30.9	-173.1	-110.8	-18.7	0	0	0	115.1	D539	D539-D541 PolarHBondContact O-N 3.47Å
542	K	36.3	Very low	46	Very low	191 Å²	191	131.2 Å²	131.2	83%	0.83	70%	0.697	S	S	*	*			trans	-134.4	49.6	163.9	-75.6	-168.4	178.8	176.1	0	113.4
543	D	41	Very low	43.3	Very low	157 Å²	157	137.6 Å²	137.6	84%	0.84	73%	0.73	S	S	*	*			trans	-90.8	110.1	145	-95	-26.9	0	0	0	108.1
544	R	39	Very low	40.9	Very low	231 Å²	231	141.9 Å²	141.9	87%	0.872	75%	0.748	S	S	*	*			trans	165	104.7	144.3	-90.2	157.5	-171.6	-168.8	3.6	108.8
545	H	31.8	Very low	38.5	Very low	187 Å²	187	147.9 Å²	147.9	87%	0.866	78%	0.777	S	S	*	*				159	95.1	127.9	-80.8	91.9	0	0	0	110
546	S	29.8	Very low	36.5	Very low	119 Å²	119	149.5 Å²	149.5	83%	0.832	78%	0.777	S	S	*	*			trans	17.3	168.3	147.4	-94.9	0	0	0	0	123.6
547	P	40	Very low	35.4	Very low	116 Å²	116	155.8 Å²	155.8	75%	0.753	80%	0.801	S	S	*	*			cis	-133.3	169.9	-8.5	26.3	-3	0	0	0	115.4
548	Q	40.9	Very low	35.3	Very low	163 Å²	163	156.4 Å²	156.4	76%	0.762	80%	0.797	S	S	*	*			trans	-35.7	137.9	159.8	-107.8	152.4	-43.8	0	0	115.6
549	D	32.8	Very low	35.7	Very low	164 Å²	164	158.2 Å²	158.2	88%	0.877	80%	0.803	S	S	*	*			trans	-146	108.2	141.6	-95.7	-28.1	0	0	0	108.8
550	D	34.9	Very low	36.3	Very low	142 Å²	142	156.8 Å²	156.8	76%	0.759	80%	0.8	S	S	*	*			trans	-71.7	127.4	166.7	-76.4	-44.3	0	0	0	109.1
551	V	33.7	Very low	36.6	Very low	119 Å²	119	149.6 Å²	149.6	72%	0.721	79%	0.787	S	S	*	*			trans	-135.5	103.5	158.6	-172.4	0	0	0	0	109	I553	V551-I553 HydrophobicContact CG1-CG1 4.43Å; V551-I553 PolarHBondContact O-N 2.76Å
552	D	30.1	Very low	37.2	Very low	159 Å²	159	146.6 Å²	146.6	85%	0.85	78%	0.778	S	S	*	*			trans	-59.6	118.8	163.9	-81.9	-38.6	0	0	0	110.2
553	I	33.4	Very low	37.9	Very low	140 Å²	140	141.4 Å²	141.4	72%	0.718	76%	0.763	S	S	*	*			trans	-108.3	103	164	-59	179.3	0	0	0	108.3	V551 I555	V551-I553 HydrophobicContact CG1-CG1 4.43Å; V551-I553 PolarHBondContact O-N 2.76Å; I553-I555 HydrophobicContact CG2-CG1 4.08Å; I553-I555 PolarHBondContact O-N 3.2Å
554	V	34.9	Very low	38.5	Very low	132 Å²	132	138.7 Å²	138.7	80%	0.8	75%	0.752	S	S	*	*			trans	-67.5	113.2	166.5	176.6	0	0	0	0	108.7
555	I	34	Very low	38.9	Very low	141 Å²	141	135.5 Å²	135.5	72%	0.723	74%	0.744	S	S	*	*			trans	-103.6	114.4	165.2	-56.8	179.9	0	0	0	108.3	I553 L557	I553-I555 HydrophobicContact CG2-CG1 4.08Å; I553-I555 PolarHBondContact O-N 3.2Å; I555-L557 PolarHBondContact O-N 2.86Å
556	K	31.4	Very low	39.9	Very low	185 Å²	185	129.2 Å²	129.2	80%	0.804	73%	0.725	S	S	*	*			trans	-59.2	124.1	167.1	-88.1	177.4	170	176.7	0	109.7	D558	K556-D558 PolarHBondContact O-N 3.38Å
557	L	33.8	Very low	41.2	Very low	170 Å²	170	128.4 Å²	128.4	89%	0.89	71%	0.71	S	S	*	*			trans	-76.8	110.7	161.8	-83.1	112	0	0	0	109.2	I555	I555-L557 PolarHBondContact O-N 2.86Å
558	D	39.4	Very low	42.2	Very low	147 Å²	147	126.1 Å²	126.1	79%	0.786	70%	0.7	S	S	*	*			trans	-80.2	133.8	162.8	-100.5	-21.1	0	0	0	110.2	K556 T560	K556-D558 PolarHBondContact O-N 3.38Å; D558-T560 PolarHBondContact O-N 2.84Å; D558-T560 VanDerWaalsContact O-N 3.11Å
559	N	43.6	Very low	43.5	Very low	146 Å²	146	123.8 Å²	123.8	78%	0.781	69%	0.692	S	S	*	*			trans	-61.4	102.7	-175.6	-84.8	-35.7	0	0	0	112.9	A561	N559-A561 VanDerWaalsContact C-N 3.31Å
560	T	48.5	Very low	45.3	Very low	113 Å²	113	119.9 Å²	119.9	69%	0.693	67%	0.674	S	S	*	*			trans	-88.2	7.5	169.3	48.9	0	0	0	0	113.6	D558 T563	D558-T560 PolarHBondContact O-N 2.84Å; D558-T560 VanDerWaalsContact O-N 3.11Å; T560-T563 PolarHBondContact O-OG1 2.89Å
561	A	42.6	Very low	47.2	Very low	71 Å²	71	117.5 Å²	117.5	59%	0.587	66%	0.66	S	S	*	*	H	α-helix	trans	-81.6	-12.9	-174.8	0	0	0	0	0	115	N559	N559-A561 VanDerWaalsContact C-N 3.31Å
562	S	49.2	Very low	49.3	Very low	85 Å²	85	115.3 Å²	115.3	59%	0.594	65%	0.649	S	S	*	*	H	α-helix	trans	-90	-30.7	-176.1	59	0	0	0	0	113.9
563	T	50.9	Low	51.6	Low	83 Å²	83	111.2 Å²	111.2	51%	0.509	63%	0.632	S	S	.	*	H	α-helix	trans	-75.6	-33.3	-177.2	41.2	0	0	0	0	112.9	T560 K565 A566 I567	T560-T563 PolarHBondContact O-OG1 2.89Å; T563-K565 VanDerWaalsContact C-N 3.35Å; T563-K565 PolarHBondContact O-N 3.44Å; T563-A566 PolarHBondContact O-N 2.9Å; T563-I567 WeakPolarHBondContact O-CG1 3.31Å; T563-I567 PolarHBondContact O-N 2.97Å
564	V	53.6	Low	53.9	Low	100 Å²	100	109.1 Å²	109.1	61%	0.606	62%	0.621	S	S	*	*	H	α-helix	trans	-68.2	-34.1	-179.7	-173.4	0	0	0	0	111.8	A568	V564-A568 PolarHBondContact O-N 3.5Å
565	K	48.3	Very low	56.2	Low	163 Å²	163	107.8 Å²	107.8	71%	0.709	61%	0.609	S	S	*	*	H	α-helix	trans	-71.9	-31	176.6	-73.6	-172.9	176.9	-179.4	0	113.2	T563	T563-K565 VanDerWaalsContact C-N 3.35Å; T563-K565 PolarHBondContact O-N 3.44Å
566	A	52.4	Low	58.7	Low	56 Å²	56	103.5 Å²	103.5	46%	0.463	59%	0.594	S	S	.	*	H	α-helix	trans	-70.6	-41.2	175.9	0	0	0	0	0	111.5	T563 A568 I569 V570	T563-A566 PolarHBondContact O-N 2.9Å; A566-A568 PolarHBondContact O-N 3.07Å; A566-I569 PolarHBondContact O-N 3.42Å; A566-V570 VanDerWaalsContact O-CG2 3.24Å; A566-V570 WeakPolarHBondContact O-CG2 3.45Å; A566-V570 PolarHBondContact O-N 3.38Å
567	I	56.3	Low	61.4	Low	102 Å²	102	100 Å²	100	52%	0.523	58%	0.584	S	S	.	*	H	α-helix	trans	-67.2	-37.1	-179.5	-64.4	168.1	0	0	0	111.3	T563 I569 I571	T563-I567 WeakPolarHBondContact O-CG1 3.31Å; T563-I567 PolarHBondContact O-N 2.97Å; I567-I569 PolarHBondContact O-N 3.12Å; I567-I571 HydrophobicContact CG2-CD1 3.68Å; I567-I571 HydrophobicContact CG2-CG1 4.43Å; I567-I571 PolarHBondContact O-N 3.27Å
568	A	61.3	Low	63.7	Low	67 Å²	67	95.3 Å²	95.3	55%	0.554	57%	0.565	S	S	*	*	H	α-helix	trans	-65.5	-21.4	178.9	0	0	0	0	0	114.3	V564 A566 P572	V564-A568 PolarHBondContact O-N 3.5Å; A566-A568 PolarHBondContact O-N 3.07Å; A568-P572 WeakPolarHBondContact O-CD 3.18Å; A568-P572 VanDerWaalsContact O-CG 3.22Å; A568-P572 WeakPolarHBondContact O-CG 3.42Å
569	I	68.5	Low	66	Low	115 Å²	115	93.8 Å²	93.8	59%	0.59	56%	0.556	S	S	*	*	H	α-helix	trans	-98.6	-35.8	-179	-61.8	171.5	0	0	0	111.3	A566 I567 P572 C573	A566-I569 PolarHBondContact O-N 3.42Å; I567-I569 PolarHBondContact O-N 3.12Å; I569-P572 WeakPolarHBondContact O-CD 3.25Å; I569-C573 PolarHBondContact O-N 3.47Å; I569-C573 PolarHBondContact O-SG 3.38Å
570	V	70.5	Confident	68	Low	81 Å²	81	92.5 Å²	92.5	49%	0.491	55%	0.548	S	S	.	.	H	α-helix	trans	-70.1	-40.3	-175.8	172.6	0	0	0	0	111.9	A566 C573 I574	A566-V570 VanDerWaalsContact O-CG2 3.24Å; A566-V570 WeakPolarHBondContact O-CG2 3.45Å; A566-V570 PolarHBondContact O-N 3.38Å; V570-C573 PolarHBondContact O-N 3Å; V570-I574 HydrophobicContact CG1-CD1 3.66Å; V570-I574 HydrophobicContact CG1-CG1 4.33Å; V570-I574 WeakPolarHBondContact O-CG1 3.45Å; V570-I574 PolarHBondContact O-N 3.04Å
571	I	73.9	Confident	69.8	Low	93 Å²	93	91.4 Å²	91.4	48%	0.477	54%	0.541	S	S	.	.	H	α-helix	trans	-64.1	-48	-178.2	-64.1	172	0	0	0	112	I567 C573 I574 L575	I567-I571 HydrophobicContact CG2-CD1 3.68Å; I567-I571 HydrophobicContact CG2-CG1 4.43Å; I567-I571 PolarHBondContact O-N 3.27Å; I571-C573 VanDerWaalsContact C-N 3.34Å; I571-C573 PolarHBondContact O-N 3.2Å; I571-I574 PolarHBondContact O-N 2.93Å; I571-L575 HydrophobicContact CG2-CD1 4.09Å; I571-L575 WeakPolarHBondContact O-CG 3.36Å; I571-L575 PolarHBondContact O-N 3.46Å; I571-L575 VanDerWaalsContact O-N 3.08Å
572	P	79.4	Confident	71.8	Confident	73 Å²	73	93 Å²	93	47%	0.474	54%	0.539	S	S	.	.	H	α-helix	trans	-60.4	-38.8	175	-24.2	32.7	0	0	0	113.8	A568 I569 L575 A576	A568-P572 WeakPolarHBondContact O-CD 3.18Å; A568-P572 VanDerWaalsContact O-CG 3.22Å; A568-P572 WeakPolarHBondContact O-CG 3.42Å; I569-P572 WeakPolarHBondContact O-CD 3.25Å; P572-L575 PolarHBondContact O-N 3.26Å; P572-A576 WeakPolarHBondContact O-CB 3.46Å; P572-A576 PolarHBondContact O-N 3.19Å
573	C	78.3	Confident	73.4	Confident	73 Å²	73	93.7 Å²	93.7	49%	0.493	54%	0.539	S	S	.	.	H	α-helix	trans	-66.4	-38.8	179.1	-71.2	0	0	0	0	112.5	I569 V570 I571 A576 L577	I569-C573 PolarHBondContact O-N 3.47Å; I569-C573 PolarHBondContact O-SG 3.38Å; V570-C573 PolarHBondContact O-N 3Å; I571-C573 VanDerWaalsContact C-N 3.34Å; I571-C573 PolarHBondContact O-N 3.2Å; C573-A576 PolarHBondContact O-N 3.4Å; C573-L577 PolarHBondContact O-N 2.95Å; C573-L577 VanDerWaalsContact O-N 3.12Å
574	I	81.4	Confident	74.9	Confident	95 Å²	95	96.5 Å²	96.5	49%	0.487	54%	0.542	S	S	.	.	H	α-helix	trans	-66	-43.9	175.5	-68.2	171	0	0	0	110.4	V570 I571 A576 L577 C578	V570-I574 HydrophobicContact CG1-CD1 3.66Å; V570-I574 HydrophobicContact CG1-CG1 4.33Å; V570-I574 WeakPolarHBondContact O-CG1 3.45Å; V570-I574 PolarHBondContact O-N 3.04Å; I571-I574 PolarHBondContact O-N 2.93Å; I574-A576 VanDerWaalsContact C-N 3.35Å; I574-A576 PolarHBondContact O-N 2.91Å; I574-L577 PolarHBondContact O-N 2.74Å; I574-C578 PolarHBondContact O-N 3.38Å; I574-C578 PolarHBondContact O-SG 3.27Å; I574-C578 VanDerWaalsContact O-SG 3.41Å
575	L	82.6	Confident	76.1	Confident	105 Å²	105	94.3 Å²	94.3	55%	0.55	53%	0.529	S	S	.	.	H	α-helix	trans	-63.3	-39.6	178	-71.4	172.1	0	0	0	112.4	I571 P572 C578 L579	I571-L575 HydrophobicContact CG2-CD1 4.09Å; I571-L575 WeakPolarHBondContact O-CG 3.36Å; I571-L575 PolarHBondContact O-N 3.46Å; I571-L575 VanDerWaalsContact O-N 3.08Å; P572-L575 PolarHBondContact O-N 3.26Å; L575-C578 PolarHBondContact O-N 2.93Å; L575-L579 PolarHBondContact O-N 2.89Å
576	A	86.4	Confident	77.5	Confident	51 Å²	51	90.6 Å²	90.6	42%	0.421	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-40.5	175.3	0	0	0	0	0	112.2	P572 C573 I574 L579 L580	P572-A576 WeakPolarHBondContact O-CB 3.46Å; P572-A576 PolarHBondContact O-N 3.19Å; C573-A576 PolarHBondContact O-N 3.4Å; I574-A576 VanDerWaalsContact C-N 3.35Å; I574-A576 PolarHBondContact O-N 2.91Å; A576-L579 PolarHBondContact O-N 3.11Å; A576-L580 WeakPolarHBondContact O-CG 3.45Å; A576-L580 PolarHBondContact O-N 3.39Å
577	L	87.4	Confident	78.7	Confident	111 Å²	111	93.6 Å²	93.6	58%	0.581	52%	0.522	S	S	*	.	H	α-helix	trans	-63.6	-43.3	174.5	-89	162.9	0	0	0	112.2	C573 I574 L579 L580 V581	C573-L577 PolarHBondContact O-N 2.95Å; C573-L577 VanDerWaalsContact O-N 3.12Å; I574-L577 PolarHBondContact O-N 2.74Å; L577-L579 VanDerWaalsContact C-N 3.32Å; L577-L579 PolarHBondContact O-N 3.13Å; L577-L580 PolarHBondContact O-N 3.13Å; L577-V581 WeakPolarHBondContact O-CG2 3.43Å; L577-V581 PolarHBondContact O-N 3.32Å
578	C	82.8	Confident	79.4	Confident	72 Å²	72	92 Å²	92	49%	0.486	51%	0.513	S	S	.	.	H	α-helix	trans	-60.7	-40.5	176.4	-71.3	0	0	0	0	112.2	I574 L575 V581 L582	I574-C578 PolarHBondContact O-N 3.38Å; I574-C578 PolarHBondContact O-SG 3.27Å; I574-C578 VanDerWaalsContact O-SG 3.41Å; L575-C578 PolarHBondContact O-N 2.93Å; C578-V581 PolarHBondContact O-N 3.4Å; C578-L582 PolarHBondContact O-N 2.98Å
579	L	86.9	Confident	79.5	Confident	114 Å²	114	96.7 Å²	96.7	60%	0.597	52%	0.521	S	S	*	.	H	α-helix	trans	-65.8	-41.2	176.4	-80.5	167.5	0	0	0	112.3	L575 A576 L577 V581 L582 V583	L575-L579 PolarHBondContact O-N 2.89Å; A576-L579 PolarHBondContact O-N 3.11Å; L577-L579 VanDerWaalsContact C-N 3.32Å; L577-L579 PolarHBondContact O-N 3.13Å; L579-V581 VanDerWaalsContact C-N 3.34Å; L579-V581 PolarHBondContact O-N 3.17Å; L579-L582 PolarHBondContact O-N 3.31Å; L579-V583 WeakPolarHBondContact O-CG2 3.4Å; L579-V583 PolarHBondContact O-N 2.92Å
580	L	87.2	Confident	79.2	Confident	120 Å²	120	100 Å²	100	63%	0.628	53%	0.531	S	S	*	.	H	α-helix	trans	-63.3	-39.7	176.3	-73.9	173.3	0	0	0	112.2	A576 L577 V583 Y584	A576-L580 WeakPolarHBondContact O-CG 3.45Å; A576-L580 PolarHBondContact O-N 3.39Å; L577-L580 PolarHBondContact O-N 3.13Å; L580-V583 PolarHBondContact O-N 2.98Å; L580-Y584 WeakPolarHBondContact O-CB 3.43Å; L580-Y584 PolarHBondContact O-N 3.42Å
581	V	85.5	Confident	78.7	Confident	90 Å²	90	105.1 Å²	105.1	55%	0.545	54%	0.541	S	S	.	.	H	α-helix	trans	-64.2	-43.2	174.8	173.4	0	0	0	0	110.8	L577 C578 L579 Y584 T585	L577-V581 WeakPolarHBondContact O-CG2 3.43Å; L577-V581 PolarHBondContact O-N 3.32Å; C578-V581 PolarHBondContact O-N 3.4Å; L579-V581 VanDerWaalsContact C-N 3.34Å; L579-V581 PolarHBondContact O-N 3.17Å; V581-Y584 WeakPolarHBondContact O-CB 3.32Å; V581-Y584 PolarHBondContact O-N 3.06Å; V581-T585 HydrophobicContact CG1-CG2 4.44Å; V581-T585 WeakPolarHBondContact O-CG2 3.33Å; V581-T585 PolarHBondContact O-N 2.96Å; V581-T585 PolarHBondContact O-OG1 3.28Å
582	L	84	Confident	77.7	Confident	105 Å²	105	108.5 Å²	108.5	55%	0.55	55%	0.553	S	S	.	*	H	α-helix	trans	-60.3	-48.3	176.3	-107.4	162.7	0	0	0	111.8	C578 L579 Y584 T585 V586	C578-L582 PolarHBondContact O-N 2.98Å; L579-L582 PolarHBondContact O-N 3.31Å; L582-Y584 VanDerWaalsContact C-N 3.3Å; L582-Y584 PolarHBondContact O-N 3.09Å; L582-T585 PolarHBondContact O-N 3.06Å; L582-T585 PolarHBondContact O-OG1 2.96Å; L582-V586 WeakPolarHBondContact O-CG2 3.35Å; L582-V586 PolarHBondContact O-N 3.38Å
583	V	83.4	Confident	76.3	Confident	98 Å²	98	108.1 Å²	108.1	59%	0.594	56%	0.562	S	S	*	*	H	α-helix	trans	-60.5	-41.8	177	173.1	0	0	0	0	111	L579 L580 V586 F587	L579-V583 WeakPolarHBondContact O-CG2 3.4Å; L579-V583 PolarHBondContact O-N 2.92Å; L580-V583 PolarHBondContact O-N 2.98Å; V583-V586 PolarHBondContact O-N 3.37Å; V583-F587 WeakPolarHBondContact O-CB 3.49Å; V583-F587 PolarHBondContact O-N 2.97Å
584	Y	83.3	Confident	75	Confident	143 Å²	143	110.9 Å²	110.9	56%	0.561	58%	0.577	S	S	*	*	H	α-helix	trans	-61.8	-43.8	176	-179.9	-96.7	0	0	0	112.5	L580 V581 L582 F587 Q588	L580-Y584 WeakPolarHBondContact O-CB 3.43Å; L580-Y584 PolarHBondContact O-N 3.42Å; V581-Y584 WeakPolarHBondContact O-CB 3.32Å; V581-Y584 PolarHBondContact O-N 3.06Å; L582-Y584 VanDerWaalsContact C-N 3.3Å; L582-Y584 PolarHBondContact O-N 3.09Å; Y584-F587 PolarHBondContact O-N 3.24Å; Y584-Q588 HydrophobicContact CD1-CG 4.24Å; Y584-Q588 HydrophobicContact CE1-CG 3.79Å; Y584-Q588 HydrophobicContact CE2-CG 4.4Å; Y584-Q588 WeakPolarHBondContact O-CG 3.5Å; Y584-Q588 PolarHBondContact O-N 3.33Å; Y584-Q588 PolarHBondContact OH-NE2 2.94Å
585	T	77.8	Confident	73.3	Confident	54 Å²	54	112.5 Å²	112.5	33%	0.331	59%	0.593	S	S	.	*	H	α-helix	trans	-64.2	-43.5	178	59.9	0	0	0	0	111.8	V581 L582 F587 Q588 F589	V581-T585 HydrophobicContact CG1-CG2 4.44Å; V581-T585 WeakPolarHBondContact O-CG2 3.33Å; V581-T585 PolarHBondContact O-N 2.96Å; V581-T585 PolarHBondContact O-OG1 3.28Å; L582-T585 PolarHBondContact O-N 3.06Å; L582-T585 PolarHBondContact O-OG1 2.96Å; T585-F587 VanDerWaalsContact C-N 3.3Å; T585-F587 PolarHBondContact O-N 3.4Å; T585-Q588 PolarHBondContact O-N 3.02Å; T585-F589 VanDerWaalsContact O-CD2 3.26Å; T585-F589 WeakPolarHBondContact O-CD2 3.36Å; T585-F589 PolarHBondContact O-N 3.01Å
586	V	78.4	Confident	71.7	Confident	84 Å²	84	118.7 Å²	118.7	51%	0.509	61%	0.609	S	S	.	*	H	α-helix	trans	-62.9	-38.9	177.1	173.5	0	0	0	0	111.1	L582 V583 F589 K590	L582-V586 WeakPolarHBondContact O-CG2 3.35Å; L582-V586 PolarHBondContact O-N 3.38Å; V583-V586 PolarHBondContact O-N 3.37Å; V586-F589 PolarHBondContact O-N 3.31Å; V586-K590 PolarHBondContact O-N 3.17Å
587	F	76.3	Confident	69.8	Low	120 Å²	120	124.7 Å²	124.7	53%	0.526	63%	0.628	S	S	.	*	H	α-helix	trans	-66.3	-39.5	175.6	-167.1	-98.2	0	0	0	112.3	V583 Y584 T585 K590 R591	V583-F587 WeakPolarHBondContact O-CB 3.49Å; V583-F587 PolarHBondContact O-N 2.97Å; Y584-F587 PolarHBondContact O-N 3.24Å; T585-F587 VanDerWaalsContact C-N 3.3Å; T585-F587 PolarHBondContact O-N 3.4Å; F587-K590 PolarHBondContact O-N 3.33Å; F587-R591 PolarHBondContact O-N 3.45Å
588	Q	71.3	Confident	67.7	Low	68 Å²	68	127.7 Å²	127.7	32%	0.318	64%	0.643	S	S	.	*	H	α-helix	trans	-66.3	-38.2	174.6	-75.6	-73.9	25.4	0	0	112.6	Y584 T585 K590 R591 K592	Y584-Q588 HydrophobicContact CD1-CG 4.24Å; Y584-Q588 HydrophobicContact CE1-CG 3.79Å; Y584-Q588 HydrophobicContact CE2-CG 4.4Å; Y584-Q588 WeakPolarHBondContact O-CG 3.5Å; Y584-Q588 PolarHBondContact O-N 3.33Å; Y584-Q588 PolarHBondContact OH-NE2 2.94Å; T585-Q588 PolarHBondContact O-N 3.02Å; Q588-K590 VanDerWaalsContact C-N 3.35Å; Q588-R591 PolarHBondContact O-N 3.26Å; Q588-K592 PolarHBondContact O-N 3.38Å; Q588-K592 VanDerWaalsContact O-N 3.11Å
589	F	64.7	Low	65.7	Low	166 Å²	166	131.5 Å²	131.5	73%	0.728	66%	0.658	S	S	*	*	H	α-helix	trans	-68.4	-31.8	174.3	-87.2	-74.3	0	0	0	112.7	T585 V586	T585-F589 VanDerWaalsContact O-CD2 3.26Å; T585-F589 WeakPolarHBondContact O-CD2 3.36Å; T585-F589 PolarHBondContact O-N 3.01Å; V586-F589 PolarHBondContact O-N 3.31Å
590	K	61.1	Low	63.3	Low	183 Å²	183	136.1 Å²	136.1	80%	0.796	67%	0.669	S	S	*	*	H	α-helix	trans	-72	-26.9	170.8	-88.2	-167.9	173.2	-175.4	0	113.7	V586 F587 Q588	V586-K590 PolarHBondContact O-N 3.17Å; F587-K590 PolarHBondContact O-N 3.33Å; Q588-K590 VanDerWaalsContact C-N 3.35Å
591	R	59.7	Low	61	Low	190 Å²	190	136.3 Å²	136.3	72%	0.717	68%	0.679	S	S	*	*	H	α-helix	trans	-82.8	-24.8	179.1	-109.5	-178.5	163	-177.5	-4.6	113.7	F587 Q588 G593	F587-R591 PolarHBondContact O-N 3.45Å; Q588-R591 PolarHBondContact O-N 3.26Å; R591-G593 PolarHBondContact O-N 3.46Å
592	K	53.6	Low	58.5	Low	164 Å²	164	142.3 Å²	142.3	71%	0.713	70%	0.697	S	S	*	*	S	Bend	trans	-91.1	94	173.6	-70.3	-174.2	178.6	-177.9	0	109.5	Q588	Q588-K592 PolarHBondContact O-N 3.38Å; Q588-K592 VanDerWaalsContact O-N 3.11Å
593	G	50.9	Low	56.3	Low	64 Å²	64	149.3 Å²	149.3	66%	0.66	72%	0.717	S	S	*	*			trans	-51.6	148	167.5	0	0	0	0	0	111.7	R591	R591-G593 PolarHBondContact O-N 3.46Å
594	T	50.9	Low	54.1	Low	132 Å²	132	148.7 Å²	148.7	81%	0.81	72%	0.717	S	S	*	*			trans	-44.8	127	179.7	27.2	0	0	0	0	112.7	R596	T594-R596 PolarHBondContact O-N 2.72Å; T594-R596 VanDerWaalsContact O-N 3.17Å
595	P	44.3	Very low	51.7	Low	128 Å²	128	151 Å²	151	83%	0.831	74%	0.735	S	S	*	*			trans	-67	114.3	167.5	-13.7	27.7	0	0	0	109.3	H597	P595-H597 PolarHBondContact O-N 3.15Å; P595-H597 VanDerWaalsContact O-N 3.13Å
596	R	50.3	Low	49.7	Very low	235 Å²	235	155.7 Å²	155.7	89%	0.887	75%	0.753	S	S	*	*			trans	-68.8	98.9	165	-78.3	180	170.5	162.6	-2.7	108.6	T594	T594-R596 PolarHBondContact O-N 2.72Å; T594-R596 VanDerWaalsContact O-N 3.17Å
597	H	45.3	Very low	48	Very low	178 Å²	178	158.8 Å²	158.8	82%	0.824	76%	0.762	S	S	*	*			trans	-170	102.5	148.9	-116.5	-89.2	0	0	0	108.9	P595	P595-H597 PolarHBondContact O-N 3.15Å; P595-H597 VanDerWaalsContact O-N 3.13Å
598	I	44.7	Very low	46.2	Very low	174 Å²	174	164.1 Å²	164.1	89%	0.892	78%	0.779	S	S	*	*			trans	-175.5	80.8	135.9	-81.7	147.2	0	0	0	104.3
599	L	40	Very low	44.7	Very low	151 Å²	151	171.3 Å²	171.3	79%	0.791	83%	0.827	S	S	*	*			trans	-98.2	143.8	157.7	-117.8	150.9	0	0	0	104.7
600	Y	36.7	Very low	43.7	Very low	212 Å²	212	171.6 Å²	171.6	83%	0.831	83%	0.832	S	S	*	*			trans	82.6	98.6	175.4	-80.3	-97.8	0	0	0	118.6
601	C	39	Very low	42.8	Very low	124 Å²	124	171 Å²	171	84%	0.838	83%	0.833	S	S	*	*				173.9	95.8	110.5	-102.7	0	0	0	0	111.8
602	K	33.4	Very low	41.8	Very low	216 Å²	216	169.9 Å²	169.9	94%	0.939	84%	0.84	S	S	*	*				172.6	87.1	128.4	-102.8	-172.7	173.4	-178.4	0	109.2
603	R	37.5	Very low	41.1	Very low	252 Å²	252	170.3 Å²	170.3	95%	0.951	85%	0.847	S	S	*	*			trans	-98.3	126.6	152.8	-166.7	179.2	-175.5	-177.9	0.6	105.7
604	S	36.1	Very low	40.5	Very low	85 Å²	85	176.9 Å²	176.9	59%	0.594	86%	0.859	S	S	*	*			trans	145.9	98.7	138.7	-163.1	0	0	0	0	111.3
605	M	33.4	Very low	39.8	Very low	191 Å²	191	179.9 Å²	179.9	94%	0.941	86%	0.862	S	S	*	*				-133.8	104.8	119.1	-81.6	-144.2	-58.3	0	0	107.3
606	Q	37.2	Very low	39.5	Very low	152 Å²	152	183.6 Å²	183.6	71%	0.71	87%	0.865	S	S	*	*			trans	-34.6	128.6	156.2	-86.8	158	-75.3	0	0	111.7
607	E	41.3	Very low	38.7	Very low	150 Å²	150	179.7 Å²	179.7	70%	0.701	86%	0.863	S	S	*	*				71.3	115.5	85.4	-81.5	-167.4	158	0	0	113.6
608	W	39	Very low	38.1	Very low	232 Å²	232	179.8 Å²	179.8	88%	0.879	87%	0.866	S	S	*	*			trans	58	102.1	145.4	-65.4	83.7	0	0	0	119.2
609	V	39.1	Very low	37.5	Very low	219 Å²	219	180.4 Å²	180.4	100%	1.327	86%	0.864	S	S	*	*				176.4	0	115	157.3	0	0	0	0	108.8

Retrieved 609 of 609 residues in 194.3 ms (Link to these results)

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