A0A087XK61_POEFO Loading...

procollagen galactosyltransferase

AlphaFold DB , UniProt , Accession A0A087XK61, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 611 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	39.6	Very low	48.9	Very low	249 Å²	249	121.5 Å²	121.5	100%	1.227	73%	0.73	S	S	*	*				0	126.3	0	-73.2	-179.5	-166.5	0	0	107.6
2	H	42.2	Very low	49.2	Very low	201 Å²	201	120.8 Å²	120.8	93%	0.931	72%	0.719	S	S	*	*			trans	-72.7	141.9	-170.2	-75.9	-65.9	0	0	0	113.1
3	G	37.2	Very low	49.5	Very low	72 Å²	72	121.2 Å²	121.2	74%	0.742	71%	0.714	S	S	*	*			trans	-170.6	77	165.9	0	0	0	0	0	108.8	A5	G3-A5 PolarHBondContact O-N 3.15Å; G3-A5 VanDerWaalsContact O-N 3.15Å
4	L	44.6	Very low	49.6	Very low	166 Å²	166	120.3 Å²	120.3	87%	0.869	70%	0.704	S	S	*	*			trans	-65.7	108.4	175.7	-93	149.9	0	0	0	109	V6	L4-V6 PolarHBondContact O-N 3.42Å
5	A	52.8	Low	49.6	Very low	95 Å²	95	119.9 Å²	119.9	79%	0.785	70%	0.696	S	S	*	*			trans	-74.2	114.1	171.2	0	0	0	0	0	109.5	G3	G3-A5 PolarHBondContact O-N 3.15Å; G3-A5 VanDerWaalsContact O-N 3.15Å
6	V	50	Low	49.4	Very low	105 Å²	105	119.4 Å²	119.4	64%	0.636	69%	0.69	S	S	*	*			trans	-76.1	133.4	169.5	179.3	0	0	0	0	108.1	L4 V10	L4-V6 PolarHBondContact O-N 3.42Å; V6-V10 HydrophobicContact CG1-CB 4.07Å; V6-V10 HydrophobicContact CG1-CG2 4.44Å
7	P	52.6	Low	49.2	Very low	81 Å²	81	117.9 Å²	117.9	53%	0.526	69%	0.688	S	S	.	*			trans	-71.5	148.7	-179.1	-3.3	17.8	0	0	0	111	A9 V10	P7-A9 PolarHBondContact O-N 3.21Å; P7-V10 PolarHBondContact O-N 2.94Å
8	P	56.5	Low	48.9	Very low	113 Å²	113	116.7 Å²	116.7	73%	0.734	69%	0.685	S	S	*	*	H	α-helix	trans	-62.6	-11	-174.6	23.2	-31.9	0	0	0	114.6	L12	P8-L12 PolarHBondContact O-N 3.25Å
9	A	54.8	Low	48.6	Very low	62 Å²	62	115.1 Å²	115.1	51%	0.512	68%	0.68	S	S	.	*	H	α-helix	trans	-71.4	-31.5	177.4	0	0	0	0	0	113.6	P7 L12 L13	P7-A9 PolarHBondContact O-N 3.21Å; A9-L12 PolarHBondContact O-N 3.49Å; A9-L13 PolarHBondContact O-N 3.35Å
10	V	54.6	Low	48.6	Very low	73 Å²	73	113.8 Å²	113.8	44%	0.442	68%	0.677	S	S	.	*	H	α-helix	trans	-76.1	-31.9	-179.1	-179.1	0	0	0	0	111.1	V6 P7 L14	V6-V10 HydrophobicContact CG1-CB 4.07Å; V6-V10 HydrophobicContact CG1-CG2 4.44Å; P7-V10 PolarHBondContact O-N 2.94Å; V10-L14 HydrophobicContact CG1-CD1 4.29Å; V10-L14 PolarHBondContact O-N 3.2Å
11	L	53.2	Low	48.6	Very low	120 Å²	120	114.4 Å²	114.4	63%	0.628	68%	0.682	S	S	*	*	H	α-helix	trans	-70.1	-34.9	174.9	-145.5	84	0	0	0	111.8	L15	L11-L15 WeakPolarHBondContact O-CB 3.35Å; L11-L15 WeakPolarHBondContact O-CD1 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.39Å; L11-L15 PolarHBondContact O-N 3.16Å; L11-L15 VanDerWaalsContact O-N 3.09Å
12	L	52.8	Low	49.1	Very low	113 Å²	113	109 Å²	109	59%	0.592	66%	0.663	S	S	*	*	H	α-helix	trans	-69.7	-37	177.7	-139.8	88.4	0	0	0	112.3	P8 A9 L15 L16	P8-L12 PolarHBondContact O-N 3.25Å; A9-L12 PolarHBondContact O-N 3.49Å; L12-L15 PolarHBondContact O-N 3.09Å; L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 WeakPolarHBondContact O-CD1 3.47Å; L12-L16 WeakPolarHBondContact O-CG 3.48Å; L12-L16 PolarHBondContact O-N 3.39Å
13	L	52.6	Low	49.7	Very low	125 Å²	125	108.1 Å²	108.1	65%	0.654	65%	0.651	S	S	*	*	H	α-helix	trans	-71.6	-35.3	176.9	-87.5	154.4	0	0	0	112.8	A9 L16 S17	A9-L13 PolarHBondContact O-N 3.35Å; L13-L16 PolarHBondContact O-N 3.24Å; L13-S17 PolarHBondContact O-N 2.88Å
14	L	50.8	Low	50.3	Low	109 Å²	109	106.6 Å²	106.6	57%	0.571	64%	0.636	S	S	*	*	H	α-helix	trans	-70	-32.8	172.4	-85.6	157.6	0	0	0	112.5	V10 S17 C18	V10-L14 HydrophobicContact CG1-CD1 4.29Å; V10-L14 PolarHBondContact O-N 3.2Å; L14-S17 PolarHBondContact O-OG 3.25Å; L14-C18 PolarHBondContact O-N 2.87Å
15	L	49	Very low	50.9	Low	114 Å²	114	109.7 Å²	109.7	60%	0.597	64%	0.637	S	S	*	*	H	α-helix	trans	-73.5	-32	174	-76.3	163.3	0	0	0	112.5	L11 L12	L11-L15 WeakPolarHBondContact O-CB 3.35Å; L11-L15 WeakPolarHBondContact O-CD1 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.39Å; L11-L15 PolarHBondContact O-N 3.16Å; L11-L15 VanDerWaalsContact O-N 3.09Å; L12-L15 PolarHBondContact O-N 3.09Å
16	L	47.7	Very low	51	Low	112 Å²	112	111.2 Å²	111.2	59%	0.586	63%	0.627	S	S	*	*	H	α-helix	trans	-78.3	-25.9	175.8	-75.2	163.4	0	0	0	113.6	L12 L13 C18 C19	L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 WeakPolarHBondContact O-CD1 3.47Å; L12-L16 WeakPolarHBondContact O-CG 3.48Å; L12-L16 PolarHBondContact O-N 3.39Å; L13-L16 PolarHBondContact O-N 3.24Å; L16-C18 VanDerWaalsContact C-N 3.29Å; L16-C19 PolarHBondContact O-N 2.91Å
17	S	44.8	Very low	51.4	Low	94 Å²	94	110.2 Å²	110.2	66%	0.657	63%	0.63	S	S	*	*	H	α-helix	trans	-78.4	-13.9	172.4	78.7	0	0	0	0	113.5	L13 L14	L13-S17 PolarHBondContact O-N 2.88Å; L14-S17 PolarHBondContact O-OG 3.25Å
18	C	43.9	Very low	51.9	Low	96 Å²	96	114.4 Å²	114.4	65%	0.649	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	10.2	171	-70.5	0	0	0	0	112.9	L14 L16 S20	L14-C18 PolarHBondContact O-N 2.87Å; L16-C18 VanDerWaalsContact C-N 3.29Å; C18-S20 PolarHBondContact O-N 3.36Å
19	C	43.8	Very low	52	Low	86 Å²	86	116.2 Å²	116.2	58%	0.581	64%	0.641	S	S	*	*			trans	-75	71.3	159.8	-67.1	0	0	0	0	108.5	L16 T21	L16-C19 PolarHBondContact O-N 2.91Å; C19-T21 PolarHBondContact O-N 3.01Å
20	S	47.8	Very low	52.2	Low	90 Å²	90	120.7 Å²	120.7	63%	0.629	64%	0.644	S	S	*	*			trans	-42.6	128.8	146.5	49.8	0	0	0	0	106.4	C18 V22	C18-S20 PolarHBondContact O-N 3.36Å; S20-V22 VanDerWaalsContact C-N 3.34Å; S20-V22 PolarHBondContact O-N 3.2Å
21	T	49	Very low	52.8	Low	127 Å²	127	127 Å²	127	78%	0.779	66%	0.661	S	S	*	*			trans	-45.2	108.8	168.3	38.5	0	0	0	0	106.4	C19 R23	C19-T21 PolarHBondContact O-N 3.01Å; T21-R23 PolarHBondContact O-N 3.47Å
22	V	50.5	Low	53.8	Low	134 Å²	134	125.9 Å²	125.9	81%	0.812	66%	0.662	S	S	*	*			trans	-65.5	89.2	171.1	177.5	0	0	0	0	102.5	S20 G24	S20-V22 VanDerWaalsContact C-N 3.34Å; S20-V22 PolarHBondContact O-N 3.2Å; V22-G24 VanDerWaalsContact C-N 3.28Å; V22-G24 PolarHBondContact O-N 3.39Å
23	R	54.6	Low	55.1	Low	183 Å²	183	125.8 Å²	125.8	69%	0.691	67%	0.668	S	S	*	*			trans	-55.3	106	165.3	-94.2	174.3	162.5	-178.7	-1.5	103.1	T21 Y25	T21-R23 PolarHBondContact O-N 3.47Å; R23-Y25 PolarHBondContact O-N 3.48Å
24	G	49.9	Very low	56.6	Low	41 Å²	41	127.5 Å²	127.5	42%	0.423	67%	0.673	S	S	.	*			trans	-40	128.7	171.9	0	0	0	0	0	108.5	V22 F26	V22-G24 VanDerWaalsContact C-N 3.28Å; V22-G24 PolarHBondContact O-N 3.39Å; G24-F26 PolarHBondContact O-N 3.26Å; G24-F26 VanDerWaalsContact O-N 3.1Å
25	Y	56.8	Low	58.4	Low	230 Å²	230	127 Å²	127	90%	0.902	68%	0.679	S	S	*	*	S	Bend	trans	-72.9	4.2	-172.4	-156.2	-95.7	0	0	0	112.4	R23 A27	R23-Y25 PolarHBondContact O-N 3.48Å; Y25-A27 PolarHBondContact O-N 3.14Å
26	F	56	Low	60.2	Low	128 Å²	128	127.2 Å²	127.2	56%	0.561	69%	0.687	S	S	*	*			trans	-86.5	103.2	175.3	-64.3	-75.9	0	0	0	109.2	G24 E28 E29	G24-F26 PolarHBondContact O-N 3.26Å; G24-F26 VanDerWaalsContact O-N 3.1Å; F26-E28 PolarHBondContact O-N 3.06Å; F26-E28 VanDerWaalsContact O-N 3.15Å; F26-E29 HydrophobicContact CB-CG 4.26Å; F26-E29 PolarHBondContact O-N 2.99Å
27	A	58	Low	62.3	Low	84 Å²	84	130.1 Å²	130.1	69%	0.694	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-56.3	-24.4	170	0	0	0	0	0	112	Y25 E29 R30	Y25-A27 PolarHBondContact O-N 3.14Å; A27-E29 VanDerWaalsContact C-N 3.27Å; A27-E29 PolarHBondContact O-N 3.12Å; A27-R30 PolarHBondContact O-N 3.2Å
28	E	61.9	Low	64.7	Low	168 Å²	168	131.8 Å²	131.8	79%	0.785	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-66.2	-21.2	179.6	-65.5	149.4	-179.8	0	0	113.7	F26	F26-E28 PolarHBondContact O-N 3.06Å; F26-E28 VanDerWaalsContact O-N 3.15Å
29	E	58.6	Low	67.2	Low	152 Å²	152	127.8 Å²	127.8	71%	0.71	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-95.4	-3	179.3	-66.8	-176.2	162.2	0	0	113.3	F26 A27 W31	F26-E29 HydrophobicContact CB-CG 4.26Å; F26-E29 PolarHBondContact O-N 2.99Å; A27-E29 VanDerWaalsContact C-N 3.27Å; A27-E29 PolarHBondContact O-N 3.12Å; E29-W31 PolarHBondContact O-N 3.15Å
30	R	60	Low	69.8	Low	155 Å²	155	124.9 Å²	124.9	59%	0.585	66%	0.657	S	S	*	*			trans	-84.5	65.3	171.7	-67	-171	-172.4	171.5	9.6	110.4	A27 S32	A27-R30 PolarHBondContact O-N 3.2Å; R30-S32 PolarHBondContact O-N 3.09Å; R30-S32 VanDerWaalsContact O-N 3.09Å
31	W	66.6	Low	72.2	Confident	207 Å²	207	123.8 Å²	123.8	78%	0.784	64%	0.639	S	S	*	*			trans	-70.2	105.4	171.7	-173.3	-91	0	0	0	109.7	E29	E29-W31 PolarHBondContact O-N 3.15Å
32	S	75.8	Confident	74.6	Confident	95 Å²	95	117.8 Å²	117.8	66%	0.664	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-88.6	127.8	163.9	-59.6	0	0	0	0	107.2	R30 E34	R30-S32 PolarHBondContact O-N 3.09Å; R30-S32 VanDerWaalsContact O-N 3.09Å; S32-E34 PolarHBondContact O-N 3.45Å
33	P	79.5	Confident	76.9	Confident	111 Å²	111	111.4 Å²	111.4	72%	0.721	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-58.2	134.1	175.2	24	-31.5	0	0	0	109.6
34	E	83.6	Confident	79	Confident	161 Å²	161	102.7 Å²	102.7	75%	0.752	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-53.1	146.6	175.7	-74.1	-66.5	160	0	0	111.2	S32	S32-E34 PolarHBondContact O-N 3.45Å
35	S	87.8	Confident	81.3	Confident	99 Å²	99	100.8 Å²	100.8	69%	0.692	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-62.7	148.2	177.3	60.7	0	0	0	0	111.2
36	P	88.2	Confident	83.3	Confident	118 Å²	118	89.9 Å²	89.9	77%	0.766	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-58.7	151.9	175.3	-22.9	33.2	0	0	0	113
37	L	91.5	Very high	85.3	Confident	174 Å²	174	85 Å²	85	91%	0.911	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-61.4	139.6	170.7	-67.7	176.1	0	0	0	110.6
38	L	94.6	Very high	87.1	Confident	129 Å²	129	81 Å²	81	68%	0.675	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-65.9	147.4	170	-63.8	177.9	0	0	0	110.3
39	A	97.1	Very high	88.7	Confident	12 Å²	12	74 Å²	74	10%	0.099	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-58.9	144.2	171	0	0	0	0	0	110.4	Y67 P68 R71 W166	A39-Y67 HydrophobicContact CB-CE1 4.13Å; A39-P68 HydrophobicContact CB-CG 3.86Å; A39-R71 HydrophobicContact CB-CB 4.4Å; A39-R71 HydrophobicContact CB-CG 4.25Å; A39-R71 PolarHBondContact O-NE 2.74Å; A39-R71 PolarHBondContact O-NH2 3.28Å; A39-W166 HydrophobicContact CB-CH2 3.49Å; A39-W166 VanDerWaalsContact CB-CH2 3.49Å; A39-W166 HydrophobicContact CB-CZ2 3.9Å
40	P	98	Very high	90.5	Very high	24 Å²	24	66.9 Å²	66.9	16%	0.156	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-52	154.6	170.2	-25.6	33.3	0	0	0	112.6	Y67 D148 Y149 M169	P40-Y67 VanDerWaalsContact CD-OH 3.31Å; P40-Y67 WeakPolarHBondContact CD-OH 3.42Å; P40-Y67 WeakPolarHBondContact O-CE1 3.31Å; P40-Y67 PolarHBondContact O-OH 3.36Å; P40-D148 WeakPolarHBondContact CA-OD2 3.32Å; P40-D148 HydrophobicContact CB-CB 3.76Å; P40-Y149 HydrophobicContact CB-CD2 3.73Å; P40-Y149 HydrophobicContact CB-CE2 3.58Å; P40-Y149 HydrophobicContact CG-CD2 4.5Å; P40-Y149 HydrophobicContact CG-CE2 3.89Å; P40-M169 HydrophobicContact CG-SD 4.38Å
41	R	98.4	Very high	92.3	Very high	68 Å²	68	60 Å²	60	26%	0.257	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-82.5	131.8	172.5	-70.5	-174.6	-67	172.1	-5.2	110.2	R71 M145 W146 D148 Y149	R41-R71 WeakPolarHBondContact CA-O 3.49Å; R41-M145 PolarHBondContact NH1-O 3.15Å; R41-W146 PolarHBondContact NE-O 3.01Å; R41-W146 PolarHBondContact NH2-O 2.96Å; R41-D148 PolarHBondContact N-OD2 3.48Å; R41-D148 WeakPolarHBondContact O-CA 3.48Å; R41-D148 WeakPolarHBondContact O-CB 3.39Å; R41-D148 PolarHBondContact O-N 3.05Å; R41-Y149 PolarHBondContact O-N 3.46Å
42	V	98.8	Very high	93.7	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.7	179.7	-174.6	0	0	0	0	109.5	L44 Y67 R71 M72 A73 Y149 L165 M169	V42-L44 HydrophobicContact CG1-CD2 3.89Å; V42-Y67 HydrophobicContact CB-CE1 4.43Å; V42-Y67 HydrophobicContact CG2-CD1 4.4Å; V42-Y67 HydrophobicContact CG2-CE1 3.6Å; V42-Y67 HydrophobicContact CG2-CE2 4.33Å; V42-Y67 WeakPolarHBondContact CG2-OH 3.33Å; V42-R71 PolarHBondContact N-O 3.44Å; V42-M72 CarbonylContact O-C 3.57Å; V42-M72 WeakPolarHBondContact O-CA 3.24Å; V42-A73 PolarHBondContact O-N 2.73Å; V42-Y149 CarbonylContact C-O 3.56Å; V42-Y149 WeakPolarHBondContact CA-O 3.36Å; V42-L165 HydrophobicContact CG1-CD2 4.11Å; V42-M169 HydrophobicContact CG2-CE 3.39Å
43	L	98.8	Very high	94.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.5	162.4	-170.6	68.6	0	0	0	108.7	A73 W75 A138 A142 M145 A147 Y149 L150 M151	L43-A73 HydrophobicContact CD1-CB 3.38Å; L43-W75 HydrophobicContact CD1-CB 3.92Å; L43-W75 HydrophobicContact CD2-CB 3.98Å; L43-W75 HydrophobicContact CD2-CG 4.4Å; L43-W75 HydrophobicContact CG-CB 4.04Å; L43-A138 WeakPolarHBondContact CD2-O 3.45Å; L43-A142 HydrophobicContact CB-CB 4.12Å; L43-A142 HydrophobicContact CD2-CB 3.6Å; L43-M145 HydrophobicContact CB-SD 4.47Å; L43-M145 HydrophobicContact CD1-SD 3.76Å; L43-M145 HydrophobicContact CG-SD 4.49Å; L43-A147 HydrophobicContact CB-CB 4.34Å; L43-Y149 PolarHBondContact N-O 3.31Å; L43-L150 HydrophobicContact CB-CD1 4.17Å; L43-L150 HydrophobicContact CD2-CD1 4.1Å; L43-L150 HydrophobicContact CG-CD1 4.28Å; L43-L150 CarbonylContact O-C 3.5Å; L43-L150 WeakPolarHBondContact O-CA 3.48Å; L43-M151 PolarHBondContact O-N 3.34Å
44	L	98.6	Very high	95.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.6	166.4	-62.5	-168.8	0	0	0	109	V42 I62 L65 M72 A73 L74 W75 M151	V42-L44 HydrophobicContact CG1-CD2 3.89Å; L44-I62 HydrophobicContact CD1-CD1 4.46Å; L44-I62 HydrophobicContact CD1-CG2 3.78Å; L44-L65 HydrophobicContact CD1-CD1 4.15Å; L44-M72 HydrophobicContact CD1-CE 3.25Å; L44-M72 HydrophobicContact CD2-CE 4.22Å; L44-M72 HydrophobicContact CG-CE 3.71Å; L44-A73 PolarHBondContact N-O 3.14Å; L44-L74 HydrophobicContact CB-CD2 4.09Å; L44-L74 HydrophobicContact CD1-CD2 4.17Å; L44-L74 HydrophobicContact CG-CD2 4.5Å; L44-W75 PolarHBondContact O-N 2.81Å; L44-M151 WeakPolarHBondContact CA-O 3.48Å; L44-M151 HydrophobicContact CD2-CB 3.62Å; L44-M151 HydrophobicContact CD2-CG 4.24Å; L44-M151 HydrophobicContact CD2-SD 4Å
45	A	98.6	Very high	96.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.5	177.8	0	0	0	0	0	110.6	W75 A138 L150 M151 L152 V153	A45-W75 CarbonylContact C-O 3.55Å; A45-W75 WeakPolarHBondContact CA-O 3.44Å; A45-W75 HydrophobicContact CB-CB 4.46Å; A45-W75 HydrophobicContact CB-CE3 4.38Å; A45-A138 HydrophobicContact CB-CB 3.69Å; A45-L150 HydrophobicContact CB-CD1 3.86Å; A45-M151 PolarHBondContact N-O 3.36Å; A45-L152 HydrophobicContact CB-CD2 3.63Å; A45-L152 HydrophobicContact CB-CG 4.45Å; A45-V153 PolarHBondContact O-N 2.99Å
46	L	98.4	Very high	96.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	112.3	-177.5	-46.1	-174.8	0	0	0	108	F58 W75 V76 A77 W92 V153	L46-F58 HydrophobicContact CD1-CE1 4.21Å; L46-F58 HydrophobicContact CD2-CE1 4.12Å; L46-F58 HydrophobicContact CD2-CZ 3.82Å; L46-W75 PolarHBondContact N-O 3.37Å; L46-V76 HydrophobicContact CB-CG1 4.25Å; L46-V76 HydrophobicContact CB-CG2 4.25Å; L46-V76 HydrophobicContact CD1-CG2 3.93Å; L46-V76 HydrophobicContact CG-CG2 4.24Å; L46-V76 WeakPolarHBondContact O-CA 3.31Å; L46-A77 PolarHBondContact O-N 3.12Å; L46-W92 HydrophobicContact CD1-CH2 4.44Å; L46-W92 HydrophobicContact CD1-CZ3 4.31Å; L46-V153 HydrophobicContact CD2-CB 4.25Å
47	I	97.9	Very high	96.9	Very high	26 Å²	26	28.6 Å²	28.6	13%	0.133	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	109.9	176.2	-63	165	0	0	0	106.7	W75 A77 L134 R135 C155	I47-W75 HydrophobicContact CD1-CZ3 4.43Å; I47-W75 HydrophobicContact CG1-CZ3 3.96Å; I47-A77 WeakPolarHBondContact CA-O 3.49Å; I47-A77 HydrophobicContact CG1-CB 4.49Å; I47-L134 HydrophobicContact CD1-CB 3.77Å; I47-L134 HydrophobicContact CG1-CB 4.24Å; I47-L134 HydrophobicContact CG2-CD1 3.77Å; I47-R135 HydrophobicContact CD1-CB 4.38Å; I47-R135 HydrophobicContact CD1-CG 3.46Å; I47-R135 VanDerWaalsContact CD1-CG 3.46Å; I47-C155 VanDerWaalsContact C-SG 3.55Å; I47-C155 PolarHBondContact O-SG 2.58Å
48	C	97.1	Very high	97.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.5	-171.8	-51.2	0	0	0	0	111.8	A77 T78 D79 T85 L89 C155	C48-A77 PolarHBondContact N-O 3.37Å; C48-T78 VanDerWaalsContact O-CA 3.3Å; C48-T78 WeakPolarHBondContact O-CA 3.32Å; C48-D79 PolarHBondContact O-N 3.37Å; C48-T85 HydrophobicContact CB-CG2 3.71Å; C48-L89 HydrophobicContact CB-CD1 3.82Å; C48-C155 WeakPolarHBondContact CA-SG 3.24Å; C48-C155 HydrophobicContact CB-CB 3.98Å; C48-C155 WeakPolarHBondContact CB-SG 3.45Å; C48-C155 WeakPolarHBondContact SG-CB 3.38Å; C48-C155 CovalentContact SG-SG 2.06Å; C48-C155 PolarHBondContact SG-SG 3.3Å
49	R	95.7	Very high	97.4	Very high	22 Å²	22	14.2 Å²	14.2	8%	0.083	7%	0.069	C	C	.	.	S	Bend	trans	-129.8	124.3	171.8	179.8	156.4	-167.9	-151.6	-8	108.9	S51 D79 H80 N81 E117 R127	R49-S51 VanDerWaalsContact C-N 3.25Å; R49-S51 PolarHBondContact O-N 3.22Å; R49-S51 VanDerWaalsContact O-N 3.17Å; R49-S51 PolarHBondContact O-OG 3.46Å; R49-D79 HydrophobicContact CB-CB 4.2Å; R49-D79 WeakPolarHBondContact CB-O 3.35Å; R49-D79 WeakPolarHBondContact CD-O 3.38Å; R49-D79 WeakPolarHBondContact CD-OD2 3.4Å; R49-D79 WeakPolarHBondContact CG-O 3.5Å; R49-H80 PolarHBondContact NE-O 2.76Å; R49-N81 WeakPolarHBondContact CA-OD1 3.02Å; R49-E117 IonicContact CZ-OE1 2.58Å; R49-E117 IonicContact CZ-OE2 3.77Å; R49-E117 IonicContact NH1-OE2 2.75Å; R49-E117 PolarHBondContact NH1-OE2 2.77Å; R49-E117 IonicContact NH2-OE1 3.17Å; R49-E117 PolarHBondContact NH2-OE1 2.58Å; R49-E117 IonicContact NH2-OE2 3.93Å; R49-E117 PolarHBondContact NH2-OE2 3.19Å; R49-R127 VanDerWaalsContact NH1-CD 3.26Å; R49-R127 VanDerWaalsContact NH1-CZ 3.31Å
50	N	96.4	Very high	97.4	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.011	6%	0.064	C	C	.	.	S	Bend	trans	46.6	44.9	176.6	-60.3	-37	0	0	0	114.4	H53 N81 E82 D83 L289	N50-H53 PolarHBondContact O-CE1 2.97Å; N50-H53 VanDerWaalsContact O-CE1 3.26Å; N50-H53 PolarHBondContact O-ND1 3.2Å; N50-N81 PolarHBondContact N-OD1 3.27Å; N50-N81 WeakPolarHBondContact OD1-CA 3.41Å; N50-E82 PolarHBondContact OD1-N 2.99Å; N50-D83 WeakPolarHBondContact CA-OD2 3.42Å; N50-L289 HydrophobicContact CB-CD1 4.19Å; N50-L289 HydrophobicContact CB-CD2 3.48Å; N50-L289 VanDerWaalsContact CB-CD2 3.48Å; N50-L289 HydrophobicContact CB-CG 4.49Å
51	S	96.5	Very high	97.4	Very high	10 Å²	10	12.6 Å²	12.6	7%	0.07	6%	0.057	C	C	.	.			trans	-102.8	17.6	-173.6	-49.3	0	0	0	0	113.5	R49 H53 S54 L55 D83 T85	R49-S51 VanDerWaalsContact C-N 3.25Å; R49-S51 PolarHBondContact O-N 3.22Å; R49-S51 VanDerWaalsContact O-N 3.17Å; R49-S51 PolarHBondContact O-OG 3.46Å; S51-H53 PolarHBondContact O-N 2.99Å; S51-H53 VanDerWaalsContact O-N 3.13Å; S51-S54 PolarHBondContact O-N 3.49Å; S51-S54 VanDerWaalsContact O-N 3.09Å; S51-S54 PolarHBondContact O-OG 3.04Å; S51-L55 WeakPolarHBondContact O-CB 3.41Å; S51-L55 WeakPolarHBondContact O-CG 3.46Å; S51-L55 PolarHBondContact O-N 2.8Å; S51-D83 PolarHBondContact N-OD2 3.06Å; S51-T85 WeakPolarHBondContact CA-OG1 3.46Å; S51-T85 PolarHBondContact N-OG1 3.02Å
52	E	96.3	Very high	97.4	Very high	62 Å²	62	9.3 Å²	9.3	29%	0.29	5%	0.045	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-40.3	-178.4	167.5	168.9	-171.3	0	0	112.1	S54 P56 D83 N84 T85 I88	E52-S54 PolarHBondContact O-N 3.07Å; E52-P56 WeakPolarHBondContact O-CD 3.29Å; E52-D83 HydrophobicContact CB-CB 4.01Å; E52-D83 WeakPolarHBondContact CB-OD2 3.46Å; E52-D83 PolarHBondContact N-OD2 2.71Å; E52-D83 WeakPolarHBondContact OE2-CB 3.42Å; E52-N84 VanDerWaalsContact CD-ND2 3.35Å; E52-N84 HydrophobicContact CG-CB 4.31Å; E52-N84 PolarHBondContact OE1-ND2 3.05Å; E52-N84 VanDerWaalsContact OE2-CB 3.29Å; E52-N84 WeakPolarHBondContact OE2-CB 3.15Å; E52-N84 PolarHBondContact OE2-N 2.86Å; E52-N84 PolarHBondContact OE2-ND2 2.87Å; E52-N84 VanDerWaalsContact OE2-ND2 3.09Å; E52-T85 PolarHBondContact N-OG1 2.7Å; E52-T85 VanDerWaalsContact N-OG1 3.11Å; E52-I88 HydrophobicContact CB-CD1 4.2Å; E52-I88 HydrophobicContact CG-CD1 3.77Å
53	H	95.3	Very high	97.3	Very high	38 Å²	38	10.5 Å²	10.5	18%	0.176	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-33.4	-177.4	63.3	-84.8	0	0	0	113.2	N50 S51 E292 A293 F296	N50-H53 PolarHBondContact O-CE1 2.97Å; N50-H53 VanDerWaalsContact O-CE1 3.26Å; N50-H53 PolarHBondContact O-ND1 3.2Å; S51-H53 PolarHBondContact O-N 2.99Å; S51-H53 VanDerWaalsContact O-N 3.13Å; H53-E292 IonicContact CE1-OE1 3.92Å; H53-A293 HydrophobicContact CB-CB 3.63Å; H53-F296 VanDerWaalsContact CD2-CB 3.46Å; H53-F296 WeakPolarHBondContact CD2-CB 3.11Å; H53-F296 AromaticContact CD2-CD1 3.94Å; H53-F296 AromaticContact CD2-CG 3.65Å
54	S	96.9	Very high	97.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-32.1	-172.3	58.1	0	0	0	0	113.8	S51 E52 P56 Y57 F58 C155 F296	S51-S54 PolarHBondContact O-N 3.49Å; S51-S54 VanDerWaalsContact O-N 3.09Å; S51-S54 PolarHBondContact O-OG 3.04Å; E52-S54 PolarHBondContact O-N 3.07Å; S54-P56 VanDerWaalsContact C-CD 3.41Å; S54-P56 VanDerWaalsContact C-N 3.32Å; S54-P56 VanDerWaalsContact O-N 3.13Å; S54-Y57 PolarHBondContact O-N 3.09Å; S54-F58 WeakPolarHBondContact O-CB 3.45Å; S54-F58 PolarHBondContact O-N 3.39Å; S54-C155 PolarHBondContact OG-O 3.45Å; S54-C155 VanDerWaalsContact OG-O 3.11Å; S54-F296 VanDerWaalsContact CB-CE2 3.4Å
55	L	97.6	Very high	97.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-47.7	-43.1	-176.5	-81.6	175.7	0	0	0	114.5	S51 Y57 F58 L59 T85 I88 L89 C155	S51-L55 WeakPolarHBondContact O-CB 3.41Å; S51-L55 WeakPolarHBondContact O-CG 3.46Å; S51-L55 PolarHBondContact O-N 2.8Å; L55-Y57 VanDerWaalsContact C-N 3.32Å; L55-Y57 PolarHBondContact O-N 3.23Å; L55-F58 HydrophobicContact CD2-CD1 4.18Å; L55-F58 PolarHBondContact O-N 3.14Å; L55-L59 HydrophobicContact CB-CD1 4.26Å; L55-L59 HydrophobicContact CD2-CD1 4.14Å; L55-L59 HydrophobicContact CD2-CD2 4.3Å; L55-L59 HydrophobicContact CD2-CG 4.07Å; L55-L59 VanDerWaalsContact O-CB 3.25Å; L55-L59 WeakPolarHBondContact O-CB 3.31Å; L55-L59 WeakPolarHBondContact O-CG 3.46Å; L55-L59 PolarHBondContact O-N 2.82Å; L55-T85 HydrophobicContact CD1-CG2 3.99Å; L55-I88 HydrophobicContact CB-CG2 3.97Å; L55-I88 HydrophobicContact CD1-CB 3.96Å; L55-I88 HydrophobicContact CD1-CG2 3.85Å; L55-L89 HydrophobicContact CD1-CD1 4.41Å; L55-L89 HydrophobicContact CD1-CD2 4.31Å; L55-L89 HydrophobicContact CD1-CG 3.89Å; L55-L89 HydrophobicContact CD2-CD2 3.68Å; L55-L89 HydrophobicContact CD2-CG 4.15Å; L55-C155 HydrophobicContact CD2-CB 4.31Å
56	P	96.9	Very high	97.2	Very high	13 Å²	13	18.5 Å²	18.5	8%	0.084	8%	0.084	C	C	.	.	H	α-helix	trans	-55.3	-45.8	178.5	-26.9	34.7	0	0	0	114	E52 S54 G60 P312 S313 I316 V318	E52-P56 WeakPolarHBondContact O-CD 3.29Å; S54-P56 VanDerWaalsContact C-CD 3.41Å; S54-P56 VanDerWaalsContact C-N 3.32Å; S54-P56 VanDerWaalsContact O-N 3.13Å; P56-G60 PolarHBondContact O-N 3.34Å; P56-P312 HydrophobicContact CB-CB 4.09Å; P56-P312 CarbonylContact O-C 3.6Å; P56-P312 WeakPolarHBondContact O-CA 3.49Å; P56-S313 PolarHBondContact O-N 3.12Å; P56-I316 VanDerWaalsContact CA-CD1 3.46Å; P56-I316 HydrophobicContact CB-CD1 3.77Å; P56-I316 HydrophobicContact CG-CD1 3.84Å; P56-V318 HydrophobicContact CB-CG2 4.18Å
57	Y	96.8	Very high	97.2	Very high	19 Å²	19	19 Å²	19	8%	0.075	9%	0.086	C	C	.	.	H	α-helix	trans	-81.4	-41.5	-178.1	-66.9	-76.3	0	0	0	111.3	S54 L55 G60 T61 F296 L300 L310 P312 E352	S54-Y57 PolarHBondContact O-N 3.09Å; L55-Y57 VanDerWaalsContact C-N 3.32Å; L55-Y57 PolarHBondContact O-N 3.23Å; Y57-G60 PolarHBondContact O-N 3.05Å; Y57-T61 PolarHBondContact O-N 2.95Å; Y57-T61 VanDerWaalsContact O-N 3.08Å; Y57-F296 HydrophobicContact CD2-CE1 4.08Å; Y57-L300 HydrophobicContact CD1-CD1 3.75Å; Y57-L300 HydrophobicContact CD1-CD2 4.25Å; Y57-L300 HydrophobicContact CD2-CD1 4.31Å; Y57-L300 HydrophobicContact CD2-CD2 3.74Å; Y57-L300 HydrophobicContact CE1-CD1 4.08Å; Y57-L300 HydrophobicContact CE1-CD2 3.98Å; Y57-L300 HydrophobicContact CE2-CD2 3.4Å; Y57-L300 HydrophobicContact CG-CD1 3.88Å; Y57-L300 HydrophobicContact CG-CD2 4.14Å; Y57-L310 HydrophobicContact CD1-CB 4.2Å; Y57-L310 WeakPolarHBondContact CE1-O 3.39Å; Y57-P312 HydrophobicContact CD1-CB 4.48Å; Y57-P312 HydrophobicContact CE1-CB 4.31Å; Y57-E352 PolarHBondContact OH-OE1 3.26Å; Y57-E352 PolarHBondContact OH-OE2 3.43Å
58	F	97.9	Very high	97.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-54.2	-57.7	175.6	172.6	-105.7	0	0	0	112.2	L46 S54 L55 G60 T61 I62 V153 D154 C155 N157	L46-F58 HydrophobicContact CD1-CE1 4.21Å; L46-F58 HydrophobicContact CD2-CE1 4.12Å; L46-F58 HydrophobicContact CD2-CZ 3.82Å; S54-F58 WeakPolarHBondContact O-CB 3.45Å; S54-F58 PolarHBondContact O-N 3.39Å; L55-F58 HydrophobicContact CD2-CD1 4.18Å; L55-F58 PolarHBondContact O-N 3.14Å; F58-G60 PolarHBondContact O-N 2.76Å; F58-T61 WeakPolarHBondContact O-CA 3.27Å; F58-T61 WeakPolarHBondContact O-CB 3.01Å; F58-T61 PolarHBondContact O-N 3.21Å; F58-T61 PolarHBondContact O-OG1 3.29Å; F58-I62 HydrophobicContact CD1-CG1 4.48Å; F58-I62 HydrophobicContact CE1-CG1 3.98Å; F58-I62 HydrophobicContact CE2-CD1 4.08Å; F58-I62 HydrophobicContact CE2-CG1 4.18Å; F58-I62 HydrophobicContact CZ-CD1 3.91Å; F58-I62 HydrophobicContact CZ-CG1 3.81Å; F58-I62 PolarHBondContact O-N 3.47Å; F58-I62 VanDerWaalsContact O-N 3.16Å; F58-V153 HydrophobicContact CE2-CB 4.42Å; F58-V153 HydrophobicContact CE2-CG1 3.61Å; F58-V153 HydrophobicContact CZ-CB 4.31Å; F58-V153 HydrophobicContact CZ-CG1 3.97Å; F58-D154 VanDerWaalsContact CE2-O 3.24Å; F58-D154 WeakPolarHBondContact CE2-O 3.33Å; F58-C155 WeakPolarHBondContact CB-O 3.27Å; F58-C155 HydrophobicContact CD1-CB 4.18Å; F58-C155 WeakPolarHBondContact CD2-O 3.37Å; F58-C155 HydrophobicContact CE1-CB 4.14Å; F58-C155 WeakPolarHBondContact CG-O 3.19Å; F58-N157 VanDerWaalsContact CD2-O 3.26Å; F58-N157 WeakPolarHBondContact CD2-O 3.24Å
59	L	98.3	Very high	97.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.5	-34.7	-179.8	-64.4	173.4	0	0	0	111.6	L55 T61 I62 E63 I88 L89 W92 I316	L55-L59 HydrophobicContact CB-CD1 4.26Å; L55-L59 HydrophobicContact CD2-CD1 4.14Å; L55-L59 HydrophobicContact CD2-CD2 4.3Å; L55-L59 HydrophobicContact CD2-CG 4.07Å; L55-L59 VanDerWaalsContact O-CB 3.25Å; L55-L59 WeakPolarHBondContact O-CB 3.31Å; L55-L59 WeakPolarHBondContact O-CG 3.46Å; L55-L59 PolarHBondContact O-N 2.82Å; L59-T61 VanDerWaalsContact C-N 3.29Å; L59-T61 PolarHBondContact O-N 3.12Å; L59-I62 PolarHBondContact O-N 3.16Å; L59-E63 VanDerWaalsContact O-CG 3.29Å; L59-E63 WeakPolarHBondContact O-CG 3.45Å; L59-E63 PolarHBondContact O-N 2.97Å; L59-I88 HydrophobicContact CD1-CG2 4.35Å; L59-L89 HydrophobicContact CD1-CD2 4.44Å; L59-L89 HydrophobicContact CD2-CD2 4.24Å; L59-W92 HydrophobicContact CD1-CB 3.97Å; L59-W92 HydrophobicContact CD1-CD2 3.98Å; L59-W92 HydrophobicContact CD1-CE3 4.47Å; L59-W92 HydrophobicContact CD1-CG 3.72Å; L59-W92 HydrophobicContact CD2-CD2 3.84Å; L59-W92 HydrophobicContact CD2-CE3 3.83Å; L59-W92 HydrophobicContact CD2-CG 4.47Å; L59-W92 HydrophobicContact CD2-CH2 3.99Å; L59-W92 HydrophobicContact CD2-CZ2 3.99Å; L59-W92 HydrophobicContact CD2-CZ3 3.91Å; L59-W92 HydrophobicContact CG-CD2 4.35Å; L59-I316 HydrophobicContact CD1-CG2 4.49Å
60	G	97.4	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.6	-40.9	171.3	0	0	0	0	0	112.7	P56 Y57 F58 R64	P56-G60 PolarHBondContact O-N 3.34Å; Y57-G60 PolarHBondContact O-N 3.05Å; F58-G60 PolarHBondContact O-N 2.76Å; G60-R64 WeakPolarHBondContact O-CB 3.35Å; G60-R64 WeakPolarHBondContact O-CG 3.43Å; G60-R64 PolarHBondContact O-N 3.03Å; G60-R64 PolarHBondContact O-NE 2.72Å; G60-R64 VanDerWaalsContact O-NE 3.12Å; G60-R64 PolarHBondContact O-NH1 3.05Å; G60-R64 PolarHBondContact O-NH2 3.35Å
61	T	97.3	Very high	97.3	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	13%	0.134	C	C	.	.	H	α-helix	trans	-66.3	-42.9	176.1	68.9	0	0	0	0	112	Y57 F58 L59 E63 R64 L65 L158 L159 L310	Y57-T61 PolarHBondContact O-N 2.95Å; Y57-T61 VanDerWaalsContact O-N 3.08Å; F58-T61 WeakPolarHBondContact O-CA 3.27Å; F58-T61 WeakPolarHBondContact O-CB 3.01Å; F58-T61 PolarHBondContact O-N 3.21Å; F58-T61 PolarHBondContact O-OG1 3.29Å; L59-T61 VanDerWaalsContact C-N 3.29Å; L59-T61 PolarHBondContact O-N 3.12Å; T61-E63 PolarHBondContact O-N 3.25Å; T61-R64 PolarHBondContact O-N 3.42Å; T61-R64 VanDerWaalsContact O-N 3.11Å; T61-L65 PolarHBondContact O-N 2.95Å; T61-L158 HydrophobicContact CG2-CD2 4.28Å; T61-L159 WeakPolarHBondContact CB-O 3.31Å; T61-L310 HydrophobicContact CG2-CD2 4.27Å
62	I	98.1	Very high	97.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-45.6	177	-58.9	-55.7	0	0	0	111.5	L44 F58 L59 R64 L65 K69 W92 L159	L44-I62 HydrophobicContact CD1-CD1 4.46Å; L44-I62 HydrophobicContact CD1-CG2 3.78Å; F58-I62 HydrophobicContact CD1-CG1 4.48Å; F58-I62 HydrophobicContact CE1-CG1 3.98Å; F58-I62 HydrophobicContact CE2-CD1 4.08Å; F58-I62 HydrophobicContact CE2-CG1 4.18Å; F58-I62 HydrophobicContact CZ-CD1 3.91Å; F58-I62 HydrophobicContact CZ-CG1 3.81Å; F58-I62 PolarHBondContact O-N 3.47Å; F58-I62 VanDerWaalsContact O-N 3.16Å; L59-I62 PolarHBondContact O-N 3.16Å; I62-R64 PolarHBondContact O-N 2.93Å; I62-L65 HydrophobicContact CD1-CD1 4.35Å; I62-L65 WeakPolarHBondContact O-CB 3.43Å; I62-L65 PolarHBondContact O-N 3.17Å; I62-K69 PolarHBondContact O-NZ 3.22Å; I62-W92 HydrophobicContact CG2-CH2 4.48Å; I62-L159 HydrophobicContact CD1-CD1 4.33Å
63	E	97.3	Very high	97.5	Very high	26 Å²	26	24.9 Å²	24.9	12%	0.121	12%	0.118	C	C	.	.	H	α-helix	trans	-57.2	-39.5	175.3	-74.4	164.2	-155.9	0	0	112.2	L59 T61 K69 W92 S313 K314 Y315	L59-E63 VanDerWaalsContact O-CG 3.29Å; L59-E63 WeakPolarHBondContact O-CG 3.45Å; L59-E63 PolarHBondContact O-N 2.97Å; T61-E63 PolarHBondContact O-N 3.25Å; E63-K69 WeakPolarHBondContact O-CE 3.39Å; E63-K69 PolarHBondContact O-NZ 3.08Å; E63-W92 HydrophobicContact CG-CZ2 4.47Å; E63-W92 PolarHBondContact OE1-NE1 3.3Å; E63-S313 WeakPolarHBondContact OE1-CB 3.33Å; E63-S313 PolarHBondContact OE1-OG 3.33Å; E63-K314 PolarHBondContact OE2-N 3.39Å; E63-Y315 VanDerWaalsContact CD-CD2 3.5Å; E63-Y315 HydrophobicContact CG-CD2 4.12Å; E63-Y315 HydrophobicContact CG-CE2 4.19Å; E63-Y315 WeakPolarHBondContact OE1-CD2 3.42Å
64	R	96.8	Very high	97.7	Very high	60 Å²	60	23.1 Å²	23.1	23%	0.226	11%	0.109	C	C	.	.	H	α-helix	trans	-82.8	-11.1	-173.9	-74	-177.4	-66.7	-94.3	6.6	114.4	G60 T61 I62 K66 R162 M311	G60-R64 WeakPolarHBondContact O-CB 3.35Å; G60-R64 WeakPolarHBondContact O-CG 3.43Å; G60-R64 PolarHBondContact O-N 3.03Å; G60-R64 PolarHBondContact O-NE 2.72Å; G60-R64 VanDerWaalsContact O-NE 3.12Å; G60-R64 PolarHBondContact O-NH1 3.05Å; G60-R64 PolarHBondContact O-NH2 3.35Å; T61-R64 PolarHBondContact O-N 3.42Å; T61-R64 VanDerWaalsContact O-N 3.11Å; I62-R64 PolarHBondContact O-N 2.93Å; R64-K66 PolarHBondContact O-N 3.11Å; R64-R162 HydrophobicContact CB-CG 4.45Å; R64-R162 PolarHBondContact O-NE 3.02Å; R64-R162 PolarHBondContact O-NH2 2.94Å; R64-R162 VanDerWaalsContact O-NH2 3.14Å; R64-M311 PolarHBondContact NH1-O 2.92Å; R64-M311 PolarHBondContact NH2-O 3.46Å
65	L	98	Very high	97.8	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.031	11%	0.109	C	C	.	.			trans	-49.1	123.7	171.6	-66.7	176.7	0	0	0	110.1	L44 T61 I62 Y67 K69 M72 L159 V164 L165	L44-L65 HydrophobicContact CD1-CD1 4.15Å; T61-L65 PolarHBondContact O-N 2.95Å; I62-L65 HydrophobicContact CD1-CD1 4.35Å; I62-L65 WeakPolarHBondContact O-CB 3.43Å; I62-L65 PolarHBondContact O-N 3.17Å; L65-Y67 PolarHBondContact O-N 3.08Å; L65-K69 PolarHBondContact O-NZ 3.37Å; L65-M72 HydrophobicContact CD1-CE 4.09Å; L65-L159 HydrophobicContact CD2-CD1 4.48Å; L65-V164 HydrophobicContact CD2-CG1 3.69Å; L65-L165 HydrophobicContact CD1-CD1 4.24Å
66	K	97.9	Very high	97.8	Very high	103 Å²	103	23.1 Å²	23.1	45%	0.448	11%	0.109	S	C	.	.			trans	-80.5	66.2	178.2	-73.9	170.4	179.7	174.1	0	109.8	R64 R162 D163 W166	R64-K66 PolarHBondContact O-N 3.11Å; K66-R162 HydrophobicContact CD-CB 4.01Å; K66-R162 HydrophobicContact CG-CB 3.95Å; K66-R162 PolarHBondContact N-O 3.45Å; K66-D163 WeakPolarHBondContact CD-OD1 3.45Å; K66-D163 WeakPolarHBondContact CD-OD2 3.19Å; K66-D163 IonicContact NZ-OD1 3.8Å; K66-D163 IonicContact NZ-OD2 2.74Å; K66-D163 PolarHBondContact NZ-OD2 3.02Å; K66-W166 PolarHBondContact O-NE1 3.35Å
67	Y	98.1	Very high	97.9	Very high	10 Å²	10	22.5 Å²	22.5	4%	0.039	11%	0.105	C	C	.	.	S	Bend	trans	-134.5	140.8	176.1	-156	-87.4	0	0	0	108.4	A39 P40 V42 L65 K69 R71 M72 L165 W166 M169	A39-Y67 HydrophobicContact CB-CE1 4.13Å; P40-Y67 VanDerWaalsContact CD-OH 3.31Å; P40-Y67 WeakPolarHBondContact CD-OH 3.42Å; P40-Y67 WeakPolarHBondContact O-CE1 3.31Å; P40-Y67 PolarHBondContact O-OH 3.36Å; V42-Y67 HydrophobicContact CB-CE1 4.43Å; V42-Y67 HydrophobicContact CG2-CD1 4.4Å; V42-Y67 HydrophobicContact CG2-CE1 3.6Å; V42-Y67 HydrophobicContact CG2-CE2 4.33Å; V42-Y67 WeakPolarHBondContact CG2-OH 3.33Å; L65-Y67 PolarHBondContact O-N 3.08Å; Y67-K69 PolarHBondContact O-N 2.99Å; Y67-K69 VanDerWaalsContact O-N 3.11Å; Y67-R71 HydrophobicContact CE1-CB 4.17Å; Y67-M72 HydrophobicContact CD1-CG 3.51Å; Y67-M72 HydrophobicContact CD1-SD 4.01Å; Y67-M72 HydrophobicContact CE1-CG 4.26Å; Y67-M72 HydrophobicContact CG-CG 4.32Å; Y67-M72 HydrophobicContact CG-SD 4.27Å; Y67-L165 HydrophobicContact CD1-CD1 4.46Å; Y67-L165 HydrophobicContact CD2-CB 3.86Å; Y67-L165 HydrophobicContact CD2-CD1 3.87Å; Y67-L165 HydrophobicContact CE2-CB 4.24Å; Y67-L165 HydrophobicContact CG-CD1 3.81Å; Y67-W166 HydrophobicContact CD2-CD2 4.05Å; Y67-W166 AromaticContact CD2-CE2 3.47Å; Y67-W166 VanDerWaalsContact CD2-CE2 3.47Å; Y67-W166 HydrophobicContact CD2-CG 4.46Å; Y67-W166 HydrophobicContact CD2-CH2 4.41Å; Y67-W166 AromaticContact CD2-CZ2 3.69Å; Y67-W166 HydrophobicContact CD2-CZ2 3.69Å; Y67-W166 AromaticContact CD2-NE1 3.54Å; Y67-W166 AromaticContact CE2-CD2 3.87Å; Y67-W166 HydrophobicContact CE2-CD2 3.87Å; Y67-W166 AromaticContact CE2-CE2 3.54Å; Y67-W166 HydrophobicContact CE2-CE3 4.08Å; Y67-W166 AromaticContact CE2-CH2 3.74Å; Y67-W166 HydrophobicContact CE2-CH2 3.74Å; Y67-W166 AromaticContact CE2-CZ2 3.48Å; Y67-W166 HydrophobicContact CE2-CZ2 3.48Å; Y67-W166 VanDerWaalsContact CE2-CZ2 3.48Å; Y67-W166 HydrophobicContact CE2-CZ3 4.02Å; Y67-M169 HydrophobicContact CE2-CE 3.84Å; Y67-M169 HydrophobicContact CE2-SD 3.99Å
68	P	97.7	Very high	97.9	Very high	50 Å²	50	21.7 Å²	21.7	33%	0.325	10%	0.102	S	C	.	.			trans	-58.4	118	-178.4	-23.6	34.1	0	0	0	110.6	A39 D70 R71 M72	A39-P68 HydrophobicContact CB-CG 3.86Å; P68-D70 VanDerWaalsContact C-N 3.27Å; P68-D70 WeakPolarHBondContact CB-OD1 3.27Å; P68-D70 PolarHBondContact O-N 2.72Å; P68-R71 HydrophobicContact CB-CB 4.13Å; P68-R71 HydrophobicContact CB-CG 3.84Å; P68-R71 CarbonylContact O-C 3.58Å; P68-R71 WeakPolarHBondContact O-CA 3.49Å; P68-R71 WeakPolarHBondContact O-CB 3.25Å; P68-R71 PolarHBondContact O-N 3.05Å; P68-M72 WeakPolarHBondContact O-CG 3.36Å; P68-M72 PolarHBondContact O-N 3.34Å
69	K	97.6	Very high	97.7	Very high	44 Å²	44	21.8 Å²	21.8	19%	0.191	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-66.4	-32.6	-173	-58.5	-58.1	-174.7	-176.1	0	111.6	I62 E63 L65 Y67 R71 M72 L99 Y100 H101	I62-K69 PolarHBondContact O-NZ 3.22Å; E63-K69 WeakPolarHBondContact O-CE 3.39Å; E63-K69 PolarHBondContact O-NZ 3.08Å; L65-K69 PolarHBondContact O-NZ 3.37Å; Y67-K69 PolarHBondContact O-N 2.99Å; Y67-K69 VanDerWaalsContact O-N 3.11Å; K69-R71 PolarHBondContact O-N 2.9Å; K69-R71 VanDerWaalsContact O-N 3.12Å; K69-M72 HydrophobicContact CD-SD 3.79Å; K69-M72 PolarHBondContact O-N 3.16Å; K69-L99 CarbonylContact C-O 3.5Å; K69-L99 WeakPolarHBondContact CB-O 3.42Å; K69-Y100 HydrophobicContact CB-CD1 4.48Å; K69-Y100 HydrophobicContact CD-CD1 4.38Å; K69-Y100 HydrophobicContact CD-CE1 3.7Å; K69-Y100 PolarHBondContact NZ-OH 3.35Å; K69-Y100 CarbonylContact O-C 3.57Å; K69-Y100 WeakPolarHBondContact O-CA 3.49Å; K69-H101 PolarHBondContact O-N 3.32Å
70	D	97.1	Very high	97.5	Very high	97 Å²	97	22.4 Å²	22.4	52%	0.519	11%	0.105	S	C	.	.	G	3₁₀ helix	trans	-65	-7.5	170	66.4	-57.2	0	0	0	114.2	P68 H101	P68-D70 VanDerWaalsContact C-N 3.27Å; P68-D70 WeakPolarHBondContact CB-OD1 3.27Å; P68-D70 PolarHBondContact O-N 2.72Å; D70-H101 VanDerWaalsContact O-CB 3.3Å; D70-H101 WeakPolarHBondContact O-CB 3.45Å; D70-H101 PolarHBondContact O-ND1 2.84Å
71	R	97.9	Very high	97.4	Very high	52 Å²	52	23 Å²	23	20%	0.196	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-112.7	4.4	172.3	-55	-65.1	-67.6	-179	-4.7	112.6	A39 R41 V42 Y67 P68 K69	A39-R71 HydrophobicContact CB-CB 4.4Å; A39-R71 HydrophobicContact CB-CG 4.25Å; A39-R71 PolarHBondContact O-NE 2.74Å; A39-R71 PolarHBondContact O-NH2 3.28Å; R41-R71 WeakPolarHBondContact CA-O 3.49Å; V42-R71 PolarHBondContact N-O 3.44Å; Y67-R71 HydrophobicContact CE1-CB 4.17Å; P68-R71 HydrophobicContact CB-CB 4.13Å; P68-R71 HydrophobicContact CB-CG 3.84Å; P68-R71 CarbonylContact O-C 3.58Å; P68-R71 WeakPolarHBondContact O-CA 3.49Å; P68-R71 WeakPolarHBondContact O-CB 3.25Å; P68-R71 PolarHBondContact O-N 3.05Å; K69-R71 PolarHBondContact O-N 2.9Å; K69-R71 VanDerWaalsContact O-N 3.12Å
72	M	98.4	Very high	97.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.4	176.6	-63.6	177.6	74.5	0	0	110.1	V42 L44 L65 Y67 P68 K69 Y100 H101 L165	V42-M72 CarbonylContact O-C 3.57Å; V42-M72 WeakPolarHBondContact O-CA 3.24Å; L44-M72 HydrophobicContact CD1-CE 3.25Å; L44-M72 HydrophobicContact CD2-CE 4.22Å; L44-M72 HydrophobicContact CG-CE 3.71Å; L65-M72 HydrophobicContact CD1-CE 4.09Å; Y67-M72 HydrophobicContact CD1-CG 3.51Å; Y67-M72 HydrophobicContact CD1-SD 4.01Å; Y67-M72 HydrophobicContact CE1-CG 4.26Å; Y67-M72 HydrophobicContact CG-CG 4.32Å; Y67-M72 HydrophobicContact CG-SD 4.27Å; P68-M72 WeakPolarHBondContact O-CG 3.36Å; P68-M72 PolarHBondContact O-N 3.34Å; K69-M72 HydrophobicContact CD-SD 3.79Å; K69-M72 PolarHBondContact O-N 3.16Å; M72-Y100 HydrophobicContact CB-CD1 3.71Å; M72-Y100 HydrophobicContact CB-CE1 4Å; M72-Y100 HydrophobicContact CE-CE1 4.28Å; M72-Y100 HydrophobicContact SD-CE1 4.21Å; M72-H101 VanDerWaalsContact O-CB 3.24Å; M72-H101 WeakPolarHBondContact O-CB 3.15Å; M72-H101 PolarHBondContact O-N 2.79Å; M72-L165 HydrophobicContact CE-CD1 4.11Å
73	A	98.6	Very high	97.2	Very high	3 Å²	3	29 Å²	29	3%	0.025	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	148	167.3	0	0	0	0	0	109.9	V42 L43 L44 Y102 M145	V42-A73 PolarHBondContact O-N 2.73Å; L43-A73 HydrophobicContact CD1-CB 3.38Å; L44-A73 PolarHBondContact N-O 3.14Å; A73-Y102 CarbonylContact C-O 3.52Å; A73-Y102 VanDerWaalsContact CA-O 3.24Å; A73-Y102 WeakPolarHBondContact CA-O 3.47Å; A73-Y102 HydrophobicContact CB-CD1 4.41Å; A73-M145 HydrophobicContact CB-CE 3.52Å; A73-M145 HydrophobicContact CB-SD 3.95Å
74	L	98.7	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.9	175.2	-59.2	177.3	0	0	0	109	L44 V76 W92 L93 V96 Y100 Y102 V103 E104	L44-L74 HydrophobicContact CB-CD2 4.09Å; L44-L74 HydrophobicContact CD1-CD2 4.17Å; L44-L74 HydrophobicContact CG-CD2 4.5Å; L74-V76 HydrophobicContact CB-CG2 4.15Å; L74-W92 HydrophobicContact CD1-CH2 3.46Å; L74-W92 VanDerWaalsContact CD1-CH2 3.46Å; L74-W92 HydrophobicContact CD1-CZ2 4.41Å; L74-W92 HydrophobicContact CD1-CZ3 3.75Å; L74-W92 HydrophobicContact CD2-CH2 4.34Å; L74-L93 HydrophobicContact CD1-CD2 4.25Å; L74-V96 HydrophobicContact CD1-CG2 4.2Å; L74-Y100 HydrophobicContact CD1-CD1 3.95Å; L74-Y100 HydrophobicContact CD1-CD2 3.58Å; L74-Y100 HydrophobicContact CD1-CE1 4.13Å; L74-Y100 HydrophobicContact CD1-CE2 3.77Å; L74-Y100 HydrophobicContact CD1-CG 3.69Å; L74-Y100 HydrophobicContact CD2-CD1 3.87Å; L74-Y100 HydrophobicContact CD2-CE1 3.73Å; L74-Y100 HydrophobicContact CD2-CG 4.46Å; L74-Y100 HydrophobicContact CG-CD1 3.68Å; L74-Y100 HydrophobicContact CG-CD2 4.23Å; L74-Y100 HydrophobicContact CG-CE1 4Å; L74-Y100 HydrophobicContact CG-CG 3.81Å; L74-Y102 PolarHBondContact N-O 2.62Å; L74-V103 HydrophobicContact CB-CG2 4.24Å; L74-V103 HydrophobicContact CD1-CG2 4.13Å; L74-V103 HydrophobicContact CG-CG2 4.47Å; L74-V103 CarbonylContact O-C 3.43Å; L74-V103 WeakPolarHBondContact O-CA 3.34Å; L74-E104 PolarHBondContact O-N 3.17Å
75	W	98.6	Very high	97.1	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	108.2	170.1	-167.2	95.7	0	0	0	107.5	L43 L44 A45 L46 I47 A77 E104 L134 A138 S141	L43-W75 HydrophobicContact CD1-CB 3.92Å; L43-W75 HydrophobicContact CD2-CB 3.98Å; L43-W75 HydrophobicContact CD2-CG 4.4Å; L43-W75 HydrophobicContact CG-CB 4.04Å; L44-W75 PolarHBondContact O-N 2.81Å; A45-W75 CarbonylContact C-O 3.55Å; A45-W75 WeakPolarHBondContact CA-O 3.44Å; A45-W75 HydrophobicContact CB-CB 4.46Å; A45-W75 HydrophobicContact CB-CE3 4.38Å; L46-W75 PolarHBondContact N-O 3.37Å; I47-W75 HydrophobicContact CD1-CZ3 4.43Å; I47-W75 HydrophobicContact CG1-CZ3 3.96Å; W75-A77 HydrophobicContact CE3-CB 4.25Å; W75-A77 HydrophobicContact CH2-CB 3.81Å; W75-A77 HydrophobicContact CZ3-CB 3.46Å; W75-A77 VanDerWaalsContact CZ3-CB 3.46Å; W75-E104 HydrophobicContact CG-CB 4.46Å; W75-E104 VanDerWaalsContact NE1-CD 3.33Å; W75-E104 PolarHBondContact NE1-OE1 3.17Å; W75-L134 HydrophobicContact CH2-CB 4.17Å; W75-L134 HydrophobicContact CH2-CD2 4.13Å; W75-L134 WeakPolarHBondContact CH2-O 3.36Å; W75-A138 HydrophobicContact CD2-CB 3.71Å; W75-A138 HydrophobicContact CE3-CB 3.7Å; W75-A138 HydrophobicContact CG-CB 4.23Å; W75-A138 HydrophobicContact CH2-CB 4.25Å; W75-A138 HydrophobicContact CZ2-CB 4.25Å; W75-A138 HydrophobicContact CZ3-CB 3.99Å; W75-S141 PolarHBondContact NE1-OG 3.35Å; W75-S141 VanDerWaalsContact NE1-OG 3.17Å
76	V	98.6	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.3	-170.6	-170.4	0	0	0	0	109.5	L46 L74 L89 L93 E104 W105 R106	L46-V76 HydrophobicContact CB-CG1 4.25Å; L46-V76 HydrophobicContact CB-CG2 4.25Å; L46-V76 HydrophobicContact CD1-CG2 3.93Å; L46-V76 HydrophobicContact CG-CG2 4.24Å; L46-V76 WeakPolarHBondContact O-CA 3.31Å; L74-V76 HydrophobicContact CB-CG2 4.15Å; V76-L89 HydrophobicContact CG1-CD1 4.12Å; V76-L89 HydrophobicContact CG1-CD2 3.98Å; V76-L89 HydrophobicContact CG1-CG 4.48Å; V76-L93 HydrophobicContact CB-CD1 4.15Å; V76-L93 HydrophobicContact CG1-CD1 4.33Å; V76-L93 HydrophobicContact CG2-CD1 4.35Å; V76-L93 HydrophobicContact CG2-CD2 3.99Å; V76-E104 PolarHBondContact N-O 3.32Å; V76-W105 HydrophobicContact CB-CE3 3.97Å; V76-W105 HydrophobicContact CB-CZ3 4.24Å; V76-W105 HydrophobicContact CG1-CE3 3.9Å; V76-W105 HydrophobicContact CG1-CZ3 3.64Å; V76-R106 PolarHBondContact O-N 3.05Å
77	A	98.2	Very high	96.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.1	175.2	0	0	0	0	0	111	L46 I47 C48 W75 R106 L134	L46-A77 PolarHBondContact O-N 3.12Å; I47-A77 WeakPolarHBondContact CA-O 3.49Å; I47-A77 HydrophobicContact CG1-CB 4.49Å; C48-A77 PolarHBondContact N-O 3.37Å; W75-A77 HydrophobicContact CE3-CB 4.25Å; W75-A77 HydrophobicContact CH2-CB 3.81Å; W75-A77 HydrophobicContact CZ3-CB 3.46Å; W75-A77 VanDerWaalsContact CZ3-CB 3.46Å; A77-R106 VanDerWaalsContact CA-O 3.28Å; A77-R106 WeakPolarHBondContact CA-O 3.46Å; A77-R106 HydrophobicContact CB-CB 4.04Å; A77-L134 HydrophobicContact CB-CD1 4.35Å; A77-L134 HydrophobicContact CB-CD2 4.02Å
78	T	96.9	Very high	96.9	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	158.7	166.3	68.9	0	0	0	0	111.3	C48 N81 T85 T86 L89 W105 R106 P107 K108	C48-T78 VanDerWaalsContact O-CA 3.3Å; C48-T78 WeakPolarHBondContact O-CA 3.32Å; T78-N81 VanDerWaalsContact CB-ND2 3.33Å; T78-N81 WeakPolarHBondContact CB-ND2 3.42Å; T78-T85 HydrophobicContact CG2-CG2 4.49Å; T78-T86 HydrophobicContact CG2-CG2 4.26Å; T78-L89 HydrophobicContact CG2-CD1 3.64Å; T78-W105 HydrophobicContact CG2-CH2 3.49Å; T78-W105 VanDerWaalsContact CG2-CH2 3.49Å; T78-W105 HydrophobicContact CG2-CZ2 4.49Å; T78-W105 HydrophobicContact CG2-CZ3 3.88Å; T78-R106 PolarHBondContact N-O 2.69Å; T78-P107 WeakPolarHBondContact OG1-CA 3.29Å; T78-K108 WeakPolarHBondContact O-CB 3.32Å; T78-K108 PolarHBondContact OG1-N 2.77Å; T78-K108 PolarHBondContact OG1-O 3.48Å; T78-K108 VanDerWaalsContact OG1-O 3.14Å
79	D	94.9	Very high	96.9	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.011	14%	0.137	C	C	.	.			trans	-140.5	103.6	-176.8	173.4	31	0	0	0	109.8	C48 R49 N81 Y114 H130 L134	C48-D79 PolarHBondContact O-N 3.37Å; R49-D79 HydrophobicContact CB-CB 4.2Å; R49-D79 WeakPolarHBondContact CB-O 3.35Å; R49-D79 WeakPolarHBondContact CD-O 3.38Å; R49-D79 WeakPolarHBondContact CD-OD2 3.4Å; R49-D79 WeakPolarHBondContact CG-O 3.5Å; D79-N81 PolarHBondContact O-N 2.9Å; D79-Y114 PolarHBondContact OD1-OH 2.95Å; D79-Y114 PolarHBondContact OD2-OH 3.22Å; D79-H130 IonicContact OD1-CD2 3.83Å; D79-H130 PolarHBondContact OD1-CD2 2.82Å; D79-H130 VanDerWaalsContact OD1-CD2 3.27Å; D79-H130 IonicContact OD1-NE2 2.94Å; D79-L134 HydrophobicContact CB-CD1 4.28Å
80	H	94.1	Very high	96.8	Very high	13 Å²	13	32 Å²	32	6%	0.06	16%	0.156	C	C	.	.	S	Bend	trans	42.9	68.8	169.1	-58.6	79	0	0	0	112.8	R49 K108 P111 S112 Y114	R49-H80 PolarHBondContact NE-O 2.76Å; H80-K108 VanDerWaalsContact CE1-CE 3.41Å; H80-K108 WeakPolarHBondContact CE1-CE 3.34Å; H80-K108 WeakPolarHBondContact NE2-CE 3.3Å; H80-P111 WeakPolarHBondContact CA-O 3.13Å; H80-P111 PolarHBondContact CD2-O 3.14Å; H80-S112 CarbonylContact C-O 3.49Å; H80-S112 VanDerWaalsContact C-O 3.27Å; H80-Y114 HydrophobicContact CB-CD2 4.35Å; H80-Y114 HydrophobicContact CB-CE2 3.98Å; H80-Y114 AromaticContact CE1-CE1 3.99Å; H80-Y114 AromaticContact CE1-CZ 3.63Å; H80-Y114 AromaticContact CG-CE2 3.73Å; H80-Y114 AromaticContact ND1-CE2 3.51Å; H80-Y114 AromaticContact ND1-CZ 3.48Å; H80-Y114 PolarHBondContact ND1-OH 3.15Å
81	N	95.2	Very high	96.8	Very high	12 Å²	12	30.4 Å²	30.4	6%	0.064	15%	0.145	C	C	.	.			trans	-89.9	133.2	-177	-70	-44.6	0	0	0	111.8	R49 N50 T78 D79 T85 T86 S112	R49-N81 WeakPolarHBondContact CA-OD1 3.02Å; N50-N81 PolarHBondContact N-OD1 3.27Å; N50-N81 WeakPolarHBondContact OD1-CA 3.41Å; T78-N81 VanDerWaalsContact CB-ND2 3.33Å; T78-N81 WeakPolarHBondContact CB-ND2 3.42Å; D79-N81 PolarHBondContact O-N 2.9Å; N81-T85 WeakPolarHBondContact ND2-CB 3.26Å; N81-T85 WeakPolarHBondContact ND2-CG2 3.47Å; N81-T86 PolarHBondContact ND2-OG1 3Å; N81-S112 WeakPolarHBondContact O-CB 3.47Å
82	E	95.2	Very high	96.8	Very high	99 Å²	99	28 Å²	28	46%	0.463	14%	0.136	S	C	.	.	S	Bend	trans	-95.3	-17	169.3	-60	177.1	-140.7	0	0	112.2	N50 L289	N50-E82 PolarHBondContact OD1-N 2.99Å; E82-L289 HydrophobicContact CB-CD1 4.22Å
83	D	95	Very high	96.8	Very high	30 Å²	30	28.5 Å²	28.5	16%	0.16	14%	0.138	C	C	.	.	S	Bend	trans	-108.1	-173.1	-176.9	75.6	1.7	0	0	0	112.9	N50 S51 E52 T85 L289	N50-D83 WeakPolarHBondContact CA-OD2 3.42Å; S51-D83 PolarHBondContact N-OD2 3.06Å; E52-D83 HydrophobicContact CB-CB 4.01Å; E52-D83 WeakPolarHBondContact CB-OD2 3.46Å; E52-D83 PolarHBondContact N-OD2 2.71Å; E52-D83 WeakPolarHBondContact OE2-CB 3.42Å; D83-T85 VanDerWaalsContact CG-OG1 3.28Å; D83-T85 PolarHBondContact O-N 2.83Å; D83-T85 VanDerWaalsContact O-N 3.13Å; D83-T85 WeakPolarHBondContact OD1-CB 3.2Å; D83-T85 PolarHBondContact OD1-N 2.71Å; D83-T85 PolarHBondContact OD1-OG1 3.08Å; D83-T85 PolarHBondContact OD2-OG1 3.31Å; D83-L289 HydrophobicContact CB-CD1 4.3Å
84	N	95.4	Very high	96.7	Very high	83 Å²	83	33.7 Å²	33.7	44%	0.444	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	15.3	-178.2	-61.1	-57	0	0	0	114.8	E52 T86 V87 I88	E52-N84 VanDerWaalsContact CD-ND2 3.35Å; E52-N84 HydrophobicContact CG-CB 4.31Å; E52-N84 PolarHBondContact OE1-ND2 3.05Å; E52-N84 VanDerWaalsContact OE2-CB 3.29Å; E52-N84 WeakPolarHBondContact OE2-CB 3.15Å; E52-N84 PolarHBondContact OE2-N 2.86Å; E52-N84 PolarHBondContact OE2-ND2 2.87Å; E52-N84 VanDerWaalsContact OE2-ND2 3.09Å; N84-T86 VanDerWaalsContact C-N 3.33Å; N84-T86 PolarHBondContact O-N 2.96Å; N84-V87 HydrophobicContact CB-CB 4.48Å; N84-V87 PolarHBondContact O-N 3.12Å; N84-V87 VanDerWaalsContact O-N 3.09Å; N84-I88 HydrophobicContact CB-CD1 4.4Å; N84-I88 WeakPolarHBondContact O-CG1 3.22Å; N84-I88 PolarHBondContact O-N 3.5Å
85	T	96.7	Very high	96.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-49.5	-50.8	-178.6	-70.3	0	0	0	0	112.6	C48 S51 E52 L55 T78 N81 D83 V87 I88 L89	C48-T85 HydrophobicContact CB-CG2 3.71Å; S51-T85 WeakPolarHBondContact CA-OG1 3.46Å; S51-T85 PolarHBondContact N-OG1 3.02Å; E52-T85 PolarHBondContact N-OG1 2.7Å; E52-T85 VanDerWaalsContact N-OG1 3.11Å; L55-T85 HydrophobicContact CD1-CG2 3.99Å; T78-T85 HydrophobicContact CG2-CG2 4.49Å; N81-T85 WeakPolarHBondContact ND2-CB 3.26Å; N81-T85 WeakPolarHBondContact ND2-CG2 3.47Å; D83-T85 VanDerWaalsContact CG-OG1 3.28Å; D83-T85 PolarHBondContact O-N 2.83Å; D83-T85 VanDerWaalsContact O-N 3.13Å; D83-T85 WeakPolarHBondContact OD1-CB 3.2Å; D83-T85 PolarHBondContact OD1-N 2.71Å; D83-T85 PolarHBondContact OD1-OG1 3.08Å; D83-T85 PolarHBondContact OD2-OG1 3.31Å; T85-V87 VanDerWaalsContact C-N 3.31Å; T85-V87 PolarHBondContact O-N 3.33Å; T85-I88 PolarHBondContact O-N 2.88Å; T85-L89 HydrophobicContact CG2-CD1 3.89Å; T85-L89 WeakPolarHBondContact O-CG 3.43Å; T85-L89 PolarHBondContact O-N 3.27Å
86	T	96.9	Very high	96.6	Very high	8 Å²	8	38.4 Å²	38.4	5%	0.049	19%	0.186	C	C	.	.	H	α-helix	trans	-63.2	-39.2	-177.9	-49.4	0	0	0	0	111.8	T78 N81 N84 R90 W105 P107 E109	T78-T86 HydrophobicContact CG2-CG2 4.26Å; N81-T86 PolarHBondContact ND2-OG1 3Å; N84-T86 VanDerWaalsContact C-N 3.33Å; N84-T86 PolarHBondContact O-N 2.96Å; T86-R90 WeakPolarHBondContact O-CB 3.38Å; T86-R90 PolarHBondContact O-N 2.69Å; T86-W105 HydrophobicContact CG2-CH2 3.95Å; T86-W105 HydrophobicContact CG2-CZ2 3.69Å; T86-P107 HydrophobicContact CG2-CB 4.35Å; T86-E109 HydrophobicContact CG2-CG 3.73Å; T86-E109 WeakPolarHBondContact CG2-OE1 3.25Å
87	V	95.7	Very high	96.5	Very high	92 Å²	92	43.2 Å²	43.2	56%	0.558	21%	0.208	S	C	*	.	H	α-helix	trans	-66.4	-45.9	180	179.8	0	0	0	0	110.8	N84 T85 R90 E91	N84-V87 HydrophobicContact CB-CB 4.48Å; N84-V87 PolarHBondContact O-N 3.12Å; N84-V87 VanDerWaalsContact O-N 3.09Å; T85-V87 VanDerWaalsContact C-N 3.31Å; T85-V87 PolarHBondContact O-N 3.33Å; V87-R90 PolarHBondContact O-N 3.48Å; V87-E91 PolarHBondContact O-N 3.29Å
88	I	96.9	Very high	96.4	Very high	24 Å²	24	50.4 Å²	50.4	12%	0.123	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-46.1	179.5	-68	168.8	0	0	0	110.7	E52 L55 L59 N84 T85 R90 E91 W92 I316	E52-I88 HydrophobicContact CB-CD1 4.2Å; E52-I88 HydrophobicContact CG-CD1 3.77Å; L55-I88 HydrophobicContact CB-CG2 3.97Å; L55-I88 HydrophobicContact CD1-CB 3.96Å; L55-I88 HydrophobicContact CD1-CG2 3.85Å; L59-I88 HydrophobicContact CD1-CG2 4.35Å; N84-I88 HydrophobicContact CB-CD1 4.4Å; N84-I88 WeakPolarHBondContact O-CG1 3.22Å; N84-I88 PolarHBondContact O-N 3.5Å; T85-I88 PolarHBondContact O-N 2.88Å; I88-R90 PolarHBondContact O-N 2.94Å; I88-E91 PolarHBondContact O-N 3.29Å; I88-W92 WeakPolarHBondContact O-CB 3.36Å; I88-W92 PolarHBondContact O-N 3.2Å; I88-I316 HydrophobicContact CG2-CD1 3.87Å; I88-I316 HydrophobicContact CG2-CG2 4.28Å
89	L	97.7	Very high	96.4	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.2	-43.6	178	-74.2	168.4	0	0	0	111.5	C48 L55 L59 V76 T78 T85 E91 W92 L93 W105	C48-L89 HydrophobicContact CB-CD1 3.82Å; L55-L89 HydrophobicContact CD1-CD1 4.41Å; L55-L89 HydrophobicContact CD1-CD2 4.31Å; L55-L89 HydrophobicContact CD1-CG 3.89Å; L55-L89 HydrophobicContact CD2-CD2 3.68Å; L55-L89 HydrophobicContact CD2-CG 4.15Å; L59-L89 HydrophobicContact CD1-CD2 4.44Å; L59-L89 HydrophobicContact CD2-CD2 4.24Å; V76-L89 HydrophobicContact CG1-CD1 4.12Å; V76-L89 HydrophobicContact CG1-CD2 3.98Å; V76-L89 HydrophobicContact CG1-CG 4.48Å; T78-L89 HydrophobicContact CG2-CD1 3.64Å; T85-L89 HydrophobicContact CG2-CD1 3.89Å; T85-L89 WeakPolarHBondContact O-CG 3.43Å; T85-L89 PolarHBondContact O-N 3.27Å; L89-E91 PolarHBondContact O-N 3Å; L89-W92 PolarHBondContact O-N 3.22Å; L89-L93 WeakPolarHBondContact O-CB 3.45Å; L89-L93 VanDerWaalsContact O-CG 3.24Å; L89-L93 WeakPolarHBondContact O-CG 3.24Å; L89-L93 PolarHBondContact O-N 3.34Å; L89-W105 HydrophobicContact CB-CH2 3.79Å; L89-W105 HydrophobicContact CB-CZ3 3.87Å; L89-W105 HydrophobicContact CD1-CH2 4.31Å; L89-W105 HydrophobicContact CD1-CZ3 4.18Å
90	R	96.6	Very high	96.6	Very high	156 Å²	156	54.7 Å²	54.7	59%	0.589	27%	0.268	S	S	*	.	H	α-helix	trans	-61.1	-45.7	176.4	-175	179.5	178.3	-174.7	-0.1	112	T86 V87 I88 W92 L93 L94 W105	T86-R90 WeakPolarHBondContact O-CB 3.38Å; T86-R90 PolarHBondContact O-N 2.69Å; V87-R90 PolarHBondContact O-N 3.48Å; I88-R90 PolarHBondContact O-N 2.94Å; R90-W92 VanDerWaalsContact C-N 3.31Å; R90-W92 PolarHBondContact O-N 2.89Å; R90-L93 PolarHBondContact O-N 3.3Å; R90-L94 HydrophobicContact CG-CD1 4.31Å; R90-L94 VanDerWaalsContact O-CG 3.3Å; R90-L94 WeakPolarHBondContact O-CG 3Å; R90-L94 PolarHBondContact O-N 3.22Å; R90-L94 VanDerWaalsContact O-N 3.15Å; R90-W105 HydrophobicContact CB-CZ2 4.5Å
91	E	96.4	Very high	96.7	Very high	63 Å²	63	58.3 Å²	58.3	29%	0.294	29%	0.285	S	S	.	.	H	α-helix	trans	-59.6	-44	176.7	-173.9	-171.3	166.2	0	0	111.3	V87 I88 L89 K95	V87-E91 PolarHBondContact O-N 3.29Å; I88-E91 PolarHBondContact O-N 3.29Å; L89-E91 PolarHBondContact O-N 3Å; E91-K95 IonicContact OE1-NZ 3.85Å; E91-K95 PolarHBondContact OE1-NZ 2.92Å
92	W	98.2	Very high	96.9	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-51.9	178.7	-179.6	74.3	0	0	0	111.9	L46 L59 I62 E63 L74 I88 L89 R90 L94 K95 V96 I316	L46-W92 HydrophobicContact CD1-CH2 4.44Å; L46-W92 HydrophobicContact CD1-CZ3 4.31Å; L59-W92 HydrophobicContact CD1-CB 3.97Å; L59-W92 HydrophobicContact CD1-CD2 3.98Å; L59-W92 HydrophobicContact CD1-CE3 4.47Å; L59-W92 HydrophobicContact CD1-CG 3.72Å; L59-W92 HydrophobicContact CD2-CD2 3.84Å; L59-W92 HydrophobicContact CD2-CE3 3.83Å; L59-W92 HydrophobicContact CD2-CG 4.47Å; L59-W92 HydrophobicContact CD2-CH2 3.99Å; L59-W92 HydrophobicContact CD2-CZ2 3.99Å; L59-W92 HydrophobicContact CD2-CZ3 3.91Å; L59-W92 HydrophobicContact CG-CD2 4.35Å; I62-W92 HydrophobicContact CG2-CH2 4.48Å; E63-W92 HydrophobicContact CG-CZ2 4.47Å; E63-W92 PolarHBondContact OE1-NE1 3.3Å; L74-W92 HydrophobicContact CD1-CH2 3.46Å; L74-W92 VanDerWaalsContact CD1-CH2 3.46Å; L74-W92 HydrophobicContact CD1-CZ2 4.41Å; L74-W92 HydrophobicContact CD1-CZ3 3.75Å; L74-W92 HydrophobicContact CD2-CH2 4.34Å; I88-W92 WeakPolarHBondContact O-CB 3.36Å; I88-W92 PolarHBondContact O-N 3.2Å; L89-W92 PolarHBondContact O-N 3.22Å; R90-W92 VanDerWaalsContact C-N 3.31Å; R90-W92 PolarHBondContact O-N 2.89Å; W92-L94 PolarHBondContact O-N 3.18Å; W92-K95 PolarHBondContact O-N 3.05Å; W92-V96 HydrophobicContact CD2-CG1 4.45Å; W92-V96 HydrophobicContact CD2-CG2 3.94Å; W92-V96 HydrophobicContact CE3-CG2 4.12Å; W92-V96 HydrophobicContact CH2-CG2 4.14Å; W92-V96 HydrophobicContact CZ2-CG1 4.42Å; W92-V96 HydrophobicContact CZ2-CG2 3.96Å; W92-V96 HydrophobicContact CZ3-CG2 4.22Å; W92-V96 WeakPolarHBondContact O-CG2 3.48Å; W92-V96 PolarHBondContact O-N 3.25Å; W92-V96 VanDerWaalsContact O-N 3.08Å; W92-I316 HydrophobicContact CB-CG2 3.65Å; W92-I316 HydrophobicContact CG-CG2 4.21Å
93	L	98	Very high	97	Very high	11 Å²	11	59.5 Å²	59.5	6%	0.058	29%	0.288	C	S	.	.	H	α-helix	trans	-57.7	-45.3	-177.3	-73.9	177.3	0	0	0	112	L74 V76 L89 R90 K95 V96 E97 V103 W105	L74-L93 HydrophobicContact CD1-CD2 4.25Å; V76-L93 HydrophobicContact CB-CD1 4.15Å; V76-L93 HydrophobicContact CG1-CD1 4.33Å; V76-L93 HydrophobicContact CG2-CD1 4.35Å; V76-L93 HydrophobicContact CG2-CD2 3.99Å; L89-L93 WeakPolarHBondContact O-CB 3.45Å; L89-L93 VanDerWaalsContact O-CG 3.24Å; L89-L93 WeakPolarHBondContact O-CG 3.24Å; L89-L93 PolarHBondContact O-N 3.34Å; R90-L93 PolarHBondContact O-N 3.3Å; L93-K95 PolarHBondContact O-N 3.46Å; L93-K95 VanDerWaalsContact O-N 3.08Å; L93-V96 HydrophobicContact CD2-CG2 4.48Å; L93-V96 PolarHBondContact O-N 3.01Å; L93-V96 VanDerWaalsContact O-N 3.15Å; L93-E97 WeakPolarHBondContact O-CB 3.4Å; L93-E97 PolarHBondContact O-N 2.57Å; L93-V103 HydrophobicContact CD1-CG1 4.46Å; L93-V103 HydrophobicContact CD2-CG1 3.67Å; L93-V103 HydrophobicContact CG-CG1 4.48Å; L93-W105 HydrophobicContact CD1-CB 4.18Å; L93-W105 HydrophobicContact CD1-CD2 3.76Å; L93-W105 HydrophobicContact CD1-CE3 3.35Å; L93-W105 HydrophobicContact CD1-CG 4.14Å; L93-W105 HydrophobicContact CD1-CZ3 3.96Å
94	L	96.9	Very high	97.1	Very high	113 Å²	113	59.3 Å²	59.3	59%	0.592	29%	0.286	S	S	*	.	H	α-helix	trans	-56.8	-27.4	177.2	-73.7	171.4	0	0	0	113.6	R90 W92	R90-L94 HydrophobicContact CG-CD1 4.31Å; R90-L94 VanDerWaalsContact O-CG 3.3Å; R90-L94 WeakPolarHBondContact O-CG 3Å; R90-L94 PolarHBondContact O-N 3.22Å; R90-L94 VanDerWaalsContact O-N 3.15Å; W92-L94 PolarHBondContact O-N 3.18Å
95	K	97.1	Very high	97.2	Very high	99 Å²	99	59.1 Å²	59.1	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-93.4	-26	-178.8	-68.9	168.5	-175.3	178.1	0	113.1	E91 W92 L93 Y315	E91-K95 IonicContact OE1-NZ 3.85Å; E91-K95 PolarHBondContact OE1-NZ 2.92Å; W92-K95 PolarHBondContact O-N 3.05Å; L93-K95 PolarHBondContact O-N 3.46Å; L93-K95 VanDerWaalsContact O-N 3.08Å; K95-Y315 HydrophobicContact CB-CD1 3.99Å; K95-Y315 HydrophobicContact CB-CG 4.29Å; K95-Y315 WeakPolarHBondContact CD-O 3.45Å; K95-Y315 WeakPolarHBondContact CE-O 3.44Å; K95-Y315 PolarHBondContact NZ-O 3.23Å
96	V	97.1	Very high	97.3	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-103	-13	-176.7	-55.2	0	0	0	0	114.2	L74 W92 L93 N98 L99 Y100 Y315	L74-V96 HydrophobicContact CD1-CG2 4.2Å; W92-V96 HydrophobicContact CD2-CG1 4.45Å; W92-V96 HydrophobicContact CD2-CG2 3.94Å; W92-V96 HydrophobicContact CE3-CG2 4.12Å; W92-V96 HydrophobicContact CH2-CG2 4.14Å; W92-V96 HydrophobicContact CZ2-CG1 4.42Å; W92-V96 HydrophobicContact CZ2-CG2 3.96Å; W92-V96 HydrophobicContact CZ3-CG2 4.22Å; W92-V96 WeakPolarHBondContact O-CG2 3.48Å; W92-V96 PolarHBondContact O-N 3.25Å; W92-V96 VanDerWaalsContact O-N 3.08Å; L93-V96 HydrophobicContact CD2-CG2 4.48Å; L93-V96 PolarHBondContact O-N 3.01Å; L93-V96 VanDerWaalsContact O-N 3.15Å; V96-N98 VanDerWaalsContact C-N 3.28Å; V96-N98 PolarHBondContact O-N 3.27Å; V96-N98 VanDerWaalsContact O-N 3.16Å; V96-L99 HydrophobicContact CB-CD1 4.36Å; V96-L99 HydrophobicContact CG1-CD1 4.46Å; V96-L99 WeakPolarHBondContact O-CA 3.5Å; V96-L99 VanDerWaalsContact O-CB 3.29Å; V96-L99 WeakPolarHBondContact O-CB 3.46Å; V96-L99 PolarHBondContact O-N 2.89Å; V96-Y100 HydrophobicContact CB-CD2 4.03Å; V96-Y100 HydrophobicContact CB-CE2 3.91Å; V96-Y100 HydrophobicContact CG2-CD2 4.08Å; V96-Y100 HydrophobicContact CG2-CE2 4.03Å; V96-Y100 WeakPolarHBondContact O-CD2 3.47Å; V96-Y100 PolarHBondContact O-N 3Å; V96-Y315 HydrophobicContact CG1-CD1 4.37Å; V96-Y315 HydrophobicContact CG1-CD2 3.32Å; V96-Y315 HydrophobicContact CG1-CE2 3.66Å; V96-Y315 HydrophobicContact CG1-CG 3.72Å
97	E	96.4	Very high	97.2	Very high	102 Å²	102	67.5 Å²	67.5	48%	0.477	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-45.3	-50.5	-176.3	-177.1	178	-163.9	0	0	112.8	L93 L99 Y100 V103	L93-E97 WeakPolarHBondContact O-CB 3.4Å; L93-E97 PolarHBondContact O-N 2.57Å; E97-L99 PolarHBondContact O-N 2.74Å; E97-L99 VanDerWaalsContact O-N 3.15Å; E97-Y100 PolarHBondContact O-N 3.31Å; E97-V103 HydrophobicContact CB-CG2 4.48Å; E97-V103 HydrophobicContact CG-CB 4.41Å; E97-V103 HydrophobicContact CG-CG2 4.38Å
98	N	96.9	Very high	97	Very high	151 Å²	151	66.4 Å²	66.4	81%	0.807	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-71.8	-6.6	-178.2	-64	-50	0	0	0	115	V96	V96-N98 VanDerWaalsContact C-N 3.28Å; V96-N98 PolarHBondContact O-N 3.27Å; V96-N98 VanDerWaalsContact O-N 3.16Å
99	L	97.4	Very high	96.2	Very high	76 Å²	76	70.6 Å²	70.6	40%	0.398	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-92	-30.4	177.7	-55.1	176.9	0	0	0	111.8	K69 V96 E97 Y315	K69-L99 CarbonylContact C-O 3.5Å; K69-L99 WeakPolarHBondContact CB-O 3.42Å; V96-L99 HydrophobicContact CB-CD1 4.36Å; V96-L99 HydrophobicContact CG1-CD1 4.46Å; V96-L99 WeakPolarHBondContact O-CA 3.5Å; V96-L99 VanDerWaalsContact O-CB 3.29Å; V96-L99 WeakPolarHBondContact O-CB 3.46Å; V96-L99 PolarHBondContact O-N 2.89Å; E97-L99 PolarHBondContact O-N 2.74Å; E97-L99 VanDerWaalsContact O-N 3.15Å; L99-Y315 HydrophobicContact CD1-CE1 4.41Å; L99-Y315 HydrophobicContact CD1-CE2 4.11Å; L99-Y315 WeakPolarHBondContact CD1-OH 3.43Å
100	Y	98.1	Very high	95.6	Very high	16 Å²	16	77.4 Å²	77.4	6%	0.063	36%	0.357	C	S	.	.	S	Bend	trans	-93.2	155.3	-175.8	-74.3	-90.9	0	0	0	110.8	K69 M72 L74 V96 E97 Y102	K69-Y100 HydrophobicContact CB-CD1 4.48Å; K69-Y100 HydrophobicContact CD-CD1 4.38Å; K69-Y100 HydrophobicContact CD-CE1 3.7Å; K69-Y100 PolarHBondContact NZ-OH 3.35Å; K69-Y100 CarbonylContact O-C 3.57Å; K69-Y100 WeakPolarHBondContact O-CA 3.49Å; M72-Y100 HydrophobicContact CB-CD1 3.71Å; M72-Y100 HydrophobicContact CB-CE1 4Å; M72-Y100 HydrophobicContact CE-CE1 4.28Å; M72-Y100 HydrophobicContact SD-CE1 4.21Å; L74-Y100 HydrophobicContact CD1-CD1 3.95Å; L74-Y100 HydrophobicContact CD1-CD2 3.58Å; L74-Y100 HydrophobicContact CD1-CE1 4.13Å; L74-Y100 HydrophobicContact CD1-CE2 3.77Å; L74-Y100 HydrophobicContact CD1-CG 3.69Å; L74-Y100 HydrophobicContact CD2-CD1 3.87Å; L74-Y100 HydrophobicContact CD2-CE1 3.73Å; L74-Y100 HydrophobicContact CD2-CG 4.46Å; L74-Y100 HydrophobicContact CG-CD1 3.68Å; L74-Y100 HydrophobicContact CG-CD2 4.23Å; L74-Y100 HydrophobicContact CG-CE1 4Å; L74-Y100 HydrophobicContact CG-CG 3.81Å; V96-Y100 HydrophobicContact CB-CD2 4.03Å; V96-Y100 HydrophobicContact CB-CE2 3.91Å; V96-Y100 HydrophobicContact CG2-CD2 4.08Å; V96-Y100 HydrophobicContact CG2-CE2 4.03Å; V96-Y100 WeakPolarHBondContact O-CD2 3.47Å; V96-Y100 PolarHBondContact O-N 3Å; E97-Y100 PolarHBondContact O-N 3.31Å; Y100-Y102 PolarHBondContact O-N 3.14Å
101	H	97.4	Very high	95.2	Very high	89 Å²	89	72.9 Å²	72.9	41%	0.412	35%	0.348	S	S	.	.	S	Bend	trans	-56	-41.9	177.7	-178.9	54.9	0	0	0	112.4	K69 D70 M72	K69-H101 PolarHBondContact O-N 3.32Å; D70-H101 VanDerWaalsContact O-CB 3.3Å; D70-H101 WeakPolarHBondContact O-CB 3.45Å; D70-H101 PolarHBondContact O-ND1 2.84Å; M72-H101 VanDerWaalsContact O-CB 3.24Å; M72-H101 WeakPolarHBondContact O-CB 3.15Å; M72-H101 PolarHBondContact O-N 2.79Å
102	Y	97.9	Very high	94.7	Very high	109 Å²	109	71.8 Å²	71.8	43%	0.427	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	147.2	-176	178.8	-109.2	0	0	0	108.9	A73 L74 Y100 E104 M145	A73-Y102 CarbonylContact C-O 3.52Å; A73-Y102 VanDerWaalsContact CA-O 3.24Å; A73-Y102 WeakPolarHBondContact CA-O 3.47Å; A73-Y102 HydrophobicContact CB-CD1 4.41Å; L74-Y102 PolarHBondContact N-O 2.62Å; Y100-Y102 PolarHBondContact O-N 3.14Å; Y102-E104 HydrophobicContact CE1-CB 3.75Å; Y102-E104 HydrophobicContact CE1-CG 4.47Å; Y102-M145 HydrophobicContact CD1-CE 3.83Å; Y102-M145 HydrophobicContact CG-CE 4.14Å
103	V	98.1	Very high	94.4	Very high	27 Å²	27	79.7 Å²	79.7	16%	0.164	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.5	175.4	173.2	0	0	0	0	108.7	L74 L93 E97	L74-V103 HydrophobicContact CB-CG2 4.24Å; L74-V103 HydrophobicContact CD1-CG2 4.13Å; L74-V103 HydrophobicContact CG-CG2 4.47Å; L74-V103 CarbonylContact O-C 3.43Å; L74-V103 WeakPolarHBondContact O-CA 3.34Å; L93-V103 HydrophobicContact CD1-CG1 4.46Å; L93-V103 HydrophobicContact CD2-CG1 3.67Å; L93-V103 HydrophobicContact CG-CG1 4.48Å; E97-V103 HydrophobicContact CB-CG2 4.48Å; E97-V103 HydrophobicContact CG-CB 4.41Å; E97-V103 HydrophobicContact CG-CG2 4.38Å
104	E	97.9	Very high	94.1	Very high	27 Å²	27	80 Å²	80	13%	0.126	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.3	171.9	-166.2	169.4	143.9	0	0	109.7	L74 W75 V76 Y102 R106	L74-E104 PolarHBondContact O-N 3.17Å; W75-E104 HydrophobicContact CG-CB 4.46Å; W75-E104 VanDerWaalsContact NE1-CD 3.33Å; W75-E104 PolarHBondContact NE1-OE1 3.17Å; V76-E104 PolarHBondContact N-O 3.32Å; Y102-E104 HydrophobicContact CE1-CB 3.75Å; Y102-E104 HydrophobicContact CE1-CG 4.47Å; E104-R106 IonicContact OE1-CZ 3.2Å; E104-R106 IonicContact OE1-NE 3.42Å; E104-R106 PolarHBondContact OE1-NE 2.92Å; E104-R106 IonicContact OE1-NH2 3.77Å; E104-R106 PolarHBondContact OE1-NH2 2.95Å
105	W	97.8	Very high	93.9	Very high	79 Å²	79	83.8 Å²	83.8	30%	0.299	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.5	-177.7	174.9	-124.7	0	0	0	110.8	V76 T78 T86 L89 R90 L93 P107	V76-W105 HydrophobicContact CB-CE3 3.97Å; V76-W105 HydrophobicContact CB-CZ3 4.24Å; V76-W105 HydrophobicContact CG1-CE3 3.9Å; V76-W105 HydrophobicContact CG1-CZ3 3.64Å; T78-W105 HydrophobicContact CG2-CH2 3.49Å; T78-W105 VanDerWaalsContact CG2-CH2 3.49Å; T78-W105 HydrophobicContact CG2-CZ2 4.49Å; T78-W105 HydrophobicContact CG2-CZ3 3.88Å; T86-W105 HydrophobicContact CG2-CH2 3.95Å; T86-W105 HydrophobicContact CG2-CZ2 3.69Å; L89-W105 HydrophobicContact CB-CH2 3.79Å; L89-W105 HydrophobicContact CB-CZ3 3.87Å; L89-W105 HydrophobicContact CD1-CH2 4.31Å; L89-W105 HydrophobicContact CD1-CZ3 4.18Å; R90-W105 HydrophobicContact CB-CZ2 4.5Å; L93-W105 HydrophobicContact CD1-CB 4.18Å; L93-W105 HydrophobicContact CD1-CD2 3.76Å; L93-W105 HydrophobicContact CD1-CE3 3.35Å; L93-W105 HydrophobicContact CD1-CG 4.14Å; L93-W105 HydrophobicContact CD1-CZ3 3.96Å; W105-P107 HydrophobicContact CH2-CB 4.49Å; W105-P107 HydrophobicContact CZ2-CB 3.69Å; W105-P107 HydrophobicContact CZ2-CG 4.39Å
106	R	97.3	Very high	93.8	Very high	117 Å²	117	82.1 Å²	82.1	44%	0.442	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	80.9	-177.8	-68.4	-175.5	177.6	-116.8	1.9	111.1	V76 A77 T78 E104	V76-R106 PolarHBondContact O-N 3.05Å; A77-R106 VanDerWaalsContact CA-O 3.28Å; A77-R106 WeakPolarHBondContact CA-O 3.46Å; A77-R106 HydrophobicContact CB-CB 4.04Å; T78-R106 PolarHBondContact N-O 2.69Å; E104-R106 IonicContact OE1-CZ 3.2Å; E104-R106 IonicContact OE1-NE 3.42Å; E104-R106 PolarHBondContact OE1-NE 2.92Å; E104-R106 IonicContact OE1-NH2 3.77Å; E104-R106 PolarHBondContact OE1-NH2 2.95Å
107	P	95.1	Very high	93.6	Very high	66 Å²	66	83.2 Å²	83.2	43%	0.429	39%	0.393	S	S	.	.			trans	-75.1	138.3	179.7	29.8	-32.2	0	0	0	111.6	T78 T86 W105	T78-P107 WeakPolarHBondContact OG1-CA 3.29Å; T86-P107 HydrophobicContact CG2-CB 4.35Å; W105-P107 HydrophobicContact CH2-CB 4.49Å; W105-P107 HydrophobicContact CZ2-CB 3.69Å; W105-P107 HydrophobicContact CZ2-CG 4.39Å
108	K	91.9	Very high	93.4	Very high	70 Å²	70	85.5 Å²	85.5	30%	0.304	41%	0.409	S	S	.	.			trans	-126.7	99	162.5	-175.4	63.5	169.5	165.6	0	107.7	T78 H80 E110	T78-K108 WeakPolarHBondContact O-CB 3.32Å; T78-K108 PolarHBondContact OG1-N 2.77Å; T78-K108 PolarHBondContact OG1-O 3.48Å; T78-K108 VanDerWaalsContact OG1-O 3.14Å; H80-K108 VanDerWaalsContact CE1-CE 3.41Å; H80-K108 WeakPolarHBondContact CE1-CE 3.34Å; H80-K108 WeakPolarHBondContact NE2-CE 3.3Å; K108-E110 WeakPolarHBondContact CE-O 3.39Å; K108-E110 PolarHBondContact NZ-O 3.49Å
109	E	80	Confident	93.2	Very high	111 Å²	111	79.1 Å²	79.1	52%	0.519	38%	0.379	S	S	.	.			trans	-96.1	-36	176.8	-69	180	-148.1	0	0	111.6	T86 P111	T86-E109 HydrophobicContact CG2-CG 3.73Å; T86-E109 WeakPolarHBondContact CG2-OE1 3.25Å; E109-P111 CarbonylContact O-C 3.43Å
110	E	84.8	Confident	93	Very high	144 Å²	144	76.4 Å²	76.4	67%	0.673	37%	0.365	S	S	*	.	S	Bend	trans	-123.7	135.7	-176.2	-69.7	-64.3	160.9	0	0	112.4	K108	K108-E110 WeakPolarHBondContact CE-O 3.39Å; K108-E110 PolarHBondContact NZ-O 3.49Å
111	P	88.9	Confident	92.7	Very high	60 Å²	60	76.9 Å²	76.9	39%	0.39	37%	0.368	S	S	.	.	S	Bend	cis	-67.1	162	-8.3	24.2	-25.4	0	0	0	112	H80 E109 R113	H80-P111 WeakPolarHBondContact CA-O 3.13Å; H80-P111 PolarHBondContact CD2-O 3.14Å; E109-P111 CarbonylContact O-C 3.43Å; P111-R113 WeakPolarHBondContact CB-O 3.44Å; P111-R113 WeakPolarHBondContact CG-O 3.5Å; P111-R113 PolarHBondContact O-N 2.93Å
112	S	85.9	Confident	92.5	Very high	41 Å²	41	74.9 Å²	74.9	29%	0.287	36%	0.359	S	S	.	.	S	Bend	trans	-78.3	-6.3	176	70	0	0	0	0	113.4	H80 N81	H80-S112 CarbonylContact C-O 3.49Å; H80-S112 VanDerWaalsContact C-O 3.27Å; N81-S112 WeakPolarHBondContact O-CB 3.47Å
113	R	91	Very high	92.3	Very high	166 Å²	166	74.3 Å²	74.3	63%	0.626	36%	0.356	S	S	*	.	S	Bend	trans	-150.9	160.3	-176.5	59.2	175.9	-179.7	-168.3	1.4	111.7	P111 E117	P111-R113 WeakPolarHBondContact CB-O 3.44Å; P111-R113 WeakPolarHBondContact CG-O 3.5Å; P111-R113 PolarHBondContact O-N 2.93Å; R113-E117 WeakPolarHBondContact CA-OE1 3.31Å; R113-E117 HydrophobicContact CB-CG 4.45Å; R113-E117 WeakPolarHBondContact CB-OE1 3.41Å
114	Y	93.1	Very high	92.1	Very high	17 Å²	17	73.4 Å²	73.4	7%	0.067	35%	0.35	C	S	.	.			trans	-79.6	155	169.5	-69	-98.4	0	0	0	110.8	D79 H80 D116 E117 L126 R127 H130	D79-Y114 PolarHBondContact OD1-OH 2.95Å; D79-Y114 PolarHBondContact OD2-OH 3.22Å; H80-Y114 HydrophobicContact CB-CD2 4.35Å; H80-Y114 HydrophobicContact CB-CE2 3.98Å; H80-Y114 AromaticContact CE1-CE1 3.99Å; H80-Y114 AromaticContact CE1-CZ 3.63Å; H80-Y114 AromaticContact CG-CE2 3.73Å; H80-Y114 AromaticContact ND1-CE2 3.51Å; H80-Y114 AromaticContact ND1-CZ 3.48Å; H80-Y114 PolarHBondContact ND1-OH 3.15Å; Y114-D116 VanDerWaalsContact C-N 3.32Å; Y114-D116 WeakPolarHBondContact CB-OD1 3.49Å; Y114-E117 WeakPolarHBondContact CD2-OE2 3.45Å; Y114-E117 VanDerWaalsContact N-CD 3.28Å; Y114-E117 PolarHBondContact N-OE1 3.21Å; Y114-L126 HydrophobicContact CD1-CB 3.78Å; Y114-L126 HydrophobicContact CE1-CB 4.28Å; Y114-R127 HydrophobicContact CD1-CB 4.35Å; Y114-R127 HydrophobicContact CD2-CB 4.2Å; Y114-R127 HydrophobicContact CD2-CG 4.39Å; Y114-R127 HydrophobicContact CE1-CB 4.15Å; Y114-R127 HydrophobicContact CE2-CB 4.01Å; Y114-R127 HydrophobicContact CE2-CG 3.89Å; Y114-R127 HydrophobicContact CG-CB 4.37Å; Y114-H130 HydrophobicContact CE1-CB 4.07Å; Y114-H130 WeakPolarHBondContact OH-CB 3.37Å; Y114-H130 PolarHBondContact OH-CD2 3.49Å; Y114-H130 VanDerWaalsContact OH-CG 3.25Å
115	E	92.4	Very high	92	Very high	192 Å²	192	77 Å²	77	90%	0.897	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-26.2	-178.1	-64.5	-176.2	172.3	0	0	112.8
116	D	93.8	Very high	91.9	Very high	65 Å²	65	76.9 Å²	76.9	35%	0.348	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	6.5	-175.6	63	-17	0	0	0	113.6	Y114 T124 L126	Y114-D116 VanDerWaalsContact C-N 3.32Å; Y114-D116 WeakPolarHBondContact CB-OD1 3.49Å; D116-T124 HydrophobicContact CB-CG2 4.4Å; D116-T124 VanDerWaalsContact CG-OG1 3.27Å; D116-T124 WeakPolarHBondContact O-CG2 3.5Å; D116-T124 VanDerWaalsContact OD1-CB 3.31Å; D116-T124 WeakPolarHBondContact OD1-CB 3.19Å; D116-T124 WeakPolarHBondContact OD1-CG2 3.42Å; D116-T124 PolarHBondContact OD1-OG1 2.69Å; D116-T124 WeakPolarHBondContact OD2-CB 3.49Å; D116-T124 PolarHBondContact OD2-OG1 3.48Å; D116-L126 HydrophobicContact CB-CD1 4.42Å; D116-L126 WeakPolarHBondContact OD2-CG 3.32Å
117	E	93.7	Very high	91.8	Very high	22 Å²	22	71.8 Å²	71.8	10%	0.103	36%	0.356	C	S	.	.			trans	-98.9	143.4	-177.2	83.2	-172.8	173	0	0	113.1	R49 R113 Y114 H122 T124	R49-E117 IonicContact CZ-OE1 2.58Å; R49-E117 IonicContact CZ-OE2 3.77Å; R49-E117 IonicContact NH1-OE2 2.75Å; R49-E117 PolarHBondContact NH1-OE2 2.77Å; R49-E117 IonicContact NH2-OE1 3.17Å; R49-E117 PolarHBondContact NH2-OE1 2.58Å; R49-E117 IonicContact NH2-OE2 3.93Å; R49-E117 PolarHBondContact NH2-OE2 3.19Å; R113-E117 WeakPolarHBondContact CA-OE1 3.31Å; R113-E117 HydrophobicContact CB-CG 4.45Å; R113-E117 WeakPolarHBondContact CB-OE1 3.41Å; Y114-E117 WeakPolarHBondContact CD2-OE2 3.45Å; Y114-E117 VanDerWaalsContact N-CD 3.28Å; Y114-E117 PolarHBondContact N-OE1 3.21Å; E117-H122 HydrophobicContact CB-CB 4.21Å; E117-T124 HydrophobicContact CB-CG2 3.74Å
118	D	92	Very high	91.9	Very high	151 Å²	151	70.5 Å²	70.5	81%	0.807	34%	0.343	S	S	*	.	S	Bend	trans	-92.5	-15.9	-179.6	-64.1	-56.5	0	0	0	112.1	H122	D118-H122 PolarHBondContact N-ND1 3.45Å; D118-H122 IonicContact OD2-CE1 3.4Å; D118-H122 PolarHBondContact OD2-CE1 2.69Å; D118-H122 IonicContact OD2-ND1 2.71Å; D118-H122 PolarHBondContact OD2-ND1 3.21Å
119	G	92.6	Very high	92.1	Very high	17 Å²	17	70.2 Å²	70.2	18%	0.175	34%	0.342	C	S	.	.	S	Bend	trans	-177.5	169.3	-176.3	0	0	0	0	0	111.9	K121 H122	G119-K121 PolarHBondContact O-N 2.88Å; G119-H122 WeakPolarHBondContact O-CB 3.33Å; G119-H122 PolarHBondContact O-N 2.89Å
120	P	92.7	Very high	92.9	Very high	18 Å²	18	67.1 Å²	67.1	12%	0.117	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.4	-168.8	24.5	-35	0	0	0	114.2	R127 L289	P120-R127 PolarHBondContact O-NH1 3.17Å; P120-L289 HydrophobicContact CB-CD2 3.55Å; P120-L289 HydrophobicContact CB-CG 4.13Å; P120-L289 HydrophobicContact CG-CD2 3.73Å; P120-L289 HydrophobicContact CG-CG 3.94Å
121	K	92.4	Very high	93.5	Very high	27 Å²	27	60.6 Å²	60.6	12%	0.117	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-2.8	178.5	-54.8	-50.4	-62.8	179.2	0	113.4	G119 W123 R284 N287 E292	G119-K121 PolarHBondContact O-N 2.88Å; K121-W123 PolarHBondContact O-N 2.77Å; K121-R284 VanDerWaalsContact CB-O 3.23Å; K121-R284 WeakPolarHBondContact CB-O 3.26Å; K121-N287 HydrophobicContact CG-CB 4.34Å; K121-N287 WeakPolarHBondContact CG-O 3.44Å; K121-E292 VanDerWaalsContact CD-OE2 3.29Å; K121-E292 WeakPolarHBondContact CD-OE2 3.36Å; K121-E292 WeakPolarHBondContact CE-OE2 3.27Å; K121-E292 IonicContact NZ-OE1 3.83Å; K121-E292 PolarHBondContact NZ-OE1 3.26Å; K121-E292 IonicContact NZ-OE2 3.34Å; K121-E292 PolarHBondContact NZ-OE2 2.68Å
122	H	93.2	Very high	93.9	Very high	47 Å²	47	57.8 Å²	57.8	22%	0.218	28%	0.28	C	S	.	.			trans	-71.3	124.9	175.3	-170.2	-178.1	0	0	0	109.3	E117 D118 G119 R127	E117-H122 HydrophobicContact CB-CB 4.21Å; D118-H122 PolarHBondContact N-ND1 3.45Å; D118-H122 IonicContact OD2-CE1 3.4Å; D118-H122 PolarHBondContact OD2-CE1 2.69Å; D118-H122 IonicContact OD2-ND1 2.71Å; D118-H122 PolarHBondContact OD2-ND1 3.21Å; G119-H122 WeakPolarHBondContact O-CB 3.33Å; G119-H122 PolarHBondContact O-N 2.89Å; H122-R127 WeakPolarHBondContact O-CD 3.48Å; H122-R127 PolarHBondContact O-NH1 3.37Å
123	W	93.5	Very high	94.5	Very high	97 Å²	97	59.9 Å²	59.9	37%	0.367	28%	0.284	S	S	.	.			trans	-97.3	95.4	172.9	-76.9	90	0	0	0	110.7	K121 R127 Y128 V131	K121-W123 PolarHBondContact O-N 2.77Å; W123-R127 HydrophobicContact CE3-CG 4.06Å; W123-R127 HydrophobicContact CZ3-CG 4.26Å; W123-Y128 HydrophobicContact CB-CE1 4.24Å; W123-Y128 HydrophobicContact CB-CE2 3.8Å; W123-Y128 WeakPolarHBondContact CB-OH 3.38Å; W123-Y128 HydrophobicContact CD2-CE1 4.04Å; W123-Y128 AromaticContact CE3-CD1 3.63Å; W123-Y128 HydrophobicContact CE3-CD1 3.63Å; W123-Y128 AromaticContact CE3-CE1 3.45Å; W123-Y128 HydrophobicContact CE3-CE1 3.45Å; W123-Y128 VanDerWaalsContact CE3-CE1 3.45Å; W123-Y128 HydrophobicContact CE3-CG 4.33Å; W123-Y128 HydrophobicContact CG-CE1 4.4Å; W123-Y128 HydrophobicContact CZ3-CD1 4.05Å; W123-Y128 HydrophobicContact CZ3-CE1 4.1Å; W123-V131 HydrophobicContact CH2-CG2 4.39Å; W123-V131 HydrophobicContact CZ3-CB 4.48Å; W123-V131 HydrophobicContact CZ3-CG2 4.06Å
124	T	94.8	Very high	94.8	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.043	26%	0.26	C	S	.	.			trans	-90.3	164.9	178.7	70.2	0	0	0	0	111.7	D116 E117 L126 R127 Y128	D116-T124 HydrophobicContact CB-CG2 4.4Å; D116-T124 VanDerWaalsContact CG-OG1 3.27Å; D116-T124 WeakPolarHBondContact O-CG2 3.5Å; D116-T124 VanDerWaalsContact OD1-CB 3.31Å; D116-T124 WeakPolarHBondContact OD1-CB 3.19Å; D116-T124 WeakPolarHBondContact OD1-CG2 3.42Å; D116-T124 PolarHBondContact OD1-OG1 2.69Å; D116-T124 WeakPolarHBondContact OD2-CB 3.49Å; D116-T124 PolarHBondContact OD2-OG1 3.48Å; E117-T124 HydrophobicContact CB-CG2 3.74Å; T124-L126 VanDerWaalsContact C-N 3.28Å; T124-L126 PolarHBondContact O-N 2.6Å; T124-R127 WeakPolarHBondContact O-CB 3.45Å; T124-R127 PolarHBondContact O-N 2.94Å; T124-R127 VanDerWaalsContact O-N 3.13Å; T124-R127 PolarHBondContact OG1-N 3.47Å; T124-Y128 VanDerWaalsContact O-CD2 3.25Å; T124-Y128 WeakPolarHBondContact O-CD2 3.24Å; T124-Y128 PolarHBondContact O-N 2.9Å
125	D	95	Very high	95.1	Very high	103 Å²	103	53 Å²	53	55%	0.551	26%	0.259	S	S	*	.	H	α-helix	trans	-60.2	-39.2	176.8	-73.2	-13.5	0	0	0	111.3	R127 Y128 E129 F251	D125-R127 VanDerWaalsContact C-N 3.32Å; D125-R127 PolarHBondContact O-N 3.38Å; D125-Y128 PolarHBondContact O-N 3.1Å; D125-E129 WeakPolarHBondContact O-CB 3.41Å; D125-E129 PolarHBondContact O-N 3.07Å; D125-F251 HydrophobicContact CB-CD1 4.08Å; D125-F251 HydrophobicContact CB-CE1 4.4Å; D125-F251 WeakPolarHBondContact O-CE1 3.4Å
126	L	95.5	Very high	95.4	Very high	76 Å²	76	44.5 Å²	44.5	40%	0.398	22%	0.22	S	C	.	.	H	α-helix	trans	-61.7	-40.7	175.6	-67.5	-177.9	0	0	0	111.9	Y114 D116 T124 H130	Y114-L126 HydrophobicContact CD1-CB 3.78Å; Y114-L126 HydrophobicContact CE1-CB 4.28Å; D116-L126 HydrophobicContact CB-CD1 4.42Å; D116-L126 WeakPolarHBondContact OD2-CG 3.32Å; T124-L126 VanDerWaalsContact C-N 3.28Å; T124-L126 PolarHBondContact O-N 2.6Å; L126-H130 WeakPolarHBondContact O-CB 3.12Å; L126-H130 PolarHBondContact O-N 3.36Å
127	R	95.7	Very high	95.6	Very high	10 Å²	10	42 Å²	42	4%	0.038	21%	0.209	C	C	.	.	H	α-helix	trans	-66.3	-47.5	175.9	-175	-168.3	178.1	150.9	-0.1	111.6	R49 Y114 P120 H122 W123 T124 D125 E129 H130 V131	R49-R127 VanDerWaalsContact NH1-CD 3.26Å; R49-R127 VanDerWaalsContact NH1-CZ 3.31Å; Y114-R127 HydrophobicContact CD1-CB 4.35Å; Y114-R127 HydrophobicContact CD2-CB 4.2Å; Y114-R127 HydrophobicContact CD2-CG 4.39Å; Y114-R127 HydrophobicContact CE1-CB 4.15Å; Y114-R127 HydrophobicContact CE2-CB 4.01Å; Y114-R127 HydrophobicContact CE2-CG 3.89Å; Y114-R127 HydrophobicContact CG-CB 4.37Å; P120-R127 PolarHBondContact O-NH1 3.17Å; H122-R127 WeakPolarHBondContact O-CD 3.48Å; H122-R127 PolarHBondContact O-NH1 3.37Å; W123-R127 HydrophobicContact CE3-CG 4.06Å; W123-R127 HydrophobicContact CZ3-CG 4.26Å; T124-R127 WeakPolarHBondContact O-CB 3.45Å; T124-R127 PolarHBondContact O-N 2.94Å; T124-R127 VanDerWaalsContact O-N 3.13Å; T124-R127 PolarHBondContact OG1-N 3.47Å; D125-R127 VanDerWaalsContact C-N 3.32Å; D125-R127 PolarHBondContact O-N 3.38Å; R127-E129 VanDerWaalsContact C-N 3.31Å; R127-E129 PolarHBondContact O-N 2.82Å; R127-H130 PolarHBondContact O-N 2.68Å; R127-V131 HydrophobicContact CG-CG2 4.45Å; R127-V131 WeakPolarHBondContact O-CG2 3.45Å; R127-V131 PolarHBondContact O-N 3.03Å
128	Y	96.6	Very high	95.9	Very high	39 Å²	39	41 Å²	41	15%	0.153	21%	0.205	C	C	.	.	H	α-helix	trans	-56.6	-47.4	176.4	-78.8	-58.7	0	0	0	111.1	W123 T124 D125 H130 V131 M132 F251 D252 D253	W123-Y128 HydrophobicContact CB-CE1 4.24Å; W123-Y128 HydrophobicContact CB-CE2 3.8Å; W123-Y128 WeakPolarHBondContact CB-OH 3.38Å; W123-Y128 HydrophobicContact CD2-CE1 4.04Å; W123-Y128 AromaticContact CE3-CD1 3.63Å; W123-Y128 HydrophobicContact CE3-CD1 3.63Å; W123-Y128 AromaticContact CE3-CE1 3.45Å; W123-Y128 HydrophobicContact CE3-CE1 3.45Å; W123-Y128 VanDerWaalsContact CE3-CE1 3.45Å; W123-Y128 HydrophobicContact CE3-CG 4.33Å; W123-Y128 HydrophobicContact CG-CE1 4.4Å; W123-Y128 HydrophobicContact CZ3-CD1 4.05Å; W123-Y128 HydrophobicContact CZ3-CE1 4.1Å; T124-Y128 VanDerWaalsContact O-CD2 3.25Å; T124-Y128 WeakPolarHBondContact O-CD2 3.24Å; T124-Y128 PolarHBondContact O-N 2.9Å; D125-Y128 PolarHBondContact O-N 3.1Å; Y128-H130 VanDerWaalsContact C-N 3.34Å; Y128-H130 PolarHBondContact O-N 3.09Å; Y128-V131 PolarHBondContact O-N 3.37Å; Y128-M132 WeakPolarHBondContact O-CB 3.25Å; Y128-M132 VanDerWaalsContact O-CG 3.28Å; Y128-M132 WeakPolarHBondContact O-CG 3.2Å; Y128-M132 PolarHBondContact O-N 3.43Å; Y128-F251 VanDerWaalsContact CD2-O 3.3Å; Y128-F251 WeakPolarHBondContact CD2-O 3.33Å; Y128-D252 HydrophobicContact CE1-CB 4.31Å; Y128-D253 HydrophobicContact CD1-CB 4.06Å; Y128-D253 WeakPolarHBondContact CD1-OD1 3.2Å; Y128-D253 WeakPolarHBondContact CE1-OD1 3.37Å
129	E	96.9	Very high	96.2	Very high	64 Å²	64	33.8 Å²	33.8	30%	0.299	17%	0.166	S	C	.	.	H	α-helix	trans	-59.7	-44.8	178.6	-163.9	-165.2	-174.1	0	0	111.7	D125 R127 M132 K133 H241 F251	D125-E129 WeakPolarHBondContact O-CB 3.41Å; D125-E129 PolarHBondContact O-N 3.07Å; R127-E129 VanDerWaalsContact C-N 3.31Å; R127-E129 PolarHBondContact O-N 2.82Å; E129-M132 PolarHBondContact O-N 3.36Å; E129-K133 HydrophobicContact CG-CD 4.4Å; E129-K133 WeakPolarHBondContact O-CG 3.37Å; E129-K133 PolarHBondContact O-N 3.47Å; E129-K133 VanDerWaalsContact OE1-CE 3.25Å; E129-K133 WeakPolarHBondContact OE1-CE 3.15Å; E129-K133 IonicContact OE1-NZ 3.04Å; E129-K133 PolarHBondContact OE1-NZ 3.23Å; E129-K133 IonicContact OE2-NZ 2.66Å; E129-K133 PolarHBondContact OE2-NZ 3.39Å; E129-H241 IonicContact OE1-NE2 3.83Å; E129-F251 HydrophobicContact CB-CE1 3.98Å; E129-F251 HydrophobicContact CB-CZ 3.99Å; E129-F251 HydrophobicContact CG-CZ 4.23Å
130	H	96.6	Very high	96.5	Very high	47 Å²	47	37.1 Å²	37.1	22%	0.218	18%	0.177	C	C	.	.	H	α-helix	trans	-64.7	-46.7	179.7	-169.8	68.8	0	0	0	112.5	D79 Y114 L126 R127 Y128 M132 K133 L134	D79-H130 IonicContact OD1-CD2 3.83Å; D79-H130 PolarHBondContact OD1-CD2 2.82Å; D79-H130 VanDerWaalsContact OD1-CD2 3.27Å; D79-H130 IonicContact OD1-NE2 2.94Å; Y114-H130 HydrophobicContact CE1-CB 4.07Å; Y114-H130 WeakPolarHBondContact OH-CB 3.37Å; Y114-H130 PolarHBondContact OH-CD2 3.49Å; Y114-H130 VanDerWaalsContact OH-CG 3.25Å; L126-H130 WeakPolarHBondContact O-CB 3.12Å; L126-H130 PolarHBondContact O-N 3.36Å; R127-H130 PolarHBondContact O-N 2.68Å; Y128-H130 VanDerWaalsContact C-N 3.34Å; Y128-H130 PolarHBondContact O-N 3.09Å; H130-M132 VanDerWaalsContact C-N 3.31Å; H130-M132 PolarHBondContact O-N 2.84Å; H130-K133 WeakPolarHBondContact O-CB 3.27Å; H130-K133 PolarHBondContact O-N 3.08Å; H130-K133 VanDerWaalsContact O-N 3.14Å; H130-L134 WeakPolarHBondContact O-CG 3.44Å; H130-L134 PolarHBondContact O-N 3.04Å
131	V	96.7	Very high	96.7	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.042	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-40.8	177.4	172	0	0	0	0	110.9	W123 R127 Y128 K133 L134 R135	W123-V131 HydrophobicContact CH2-CG2 4.39Å; W123-V131 HydrophobicContact CZ3-CB 4.48Å; W123-V131 HydrophobicContact CZ3-CG2 4.06Å; R127-V131 HydrophobicContact CG-CG2 4.45Å; R127-V131 WeakPolarHBondContact O-CG2 3.45Å; R127-V131 PolarHBondContact O-N 3.03Å; Y128-V131 PolarHBondContact O-N 3.37Å; V131-K133 PolarHBondContact O-N 3.43Å; V131-L134 PolarHBondContact O-N 3.04Å; V131-R135 WeakPolarHBondContact O-CG 3.27Å; V131-R135 PolarHBondContact O-N 2.8Å
132	M	98.1	Very high	97	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-42.2	173.8	-74.8	-170.3	-69.6	0	0	112.1	Y128 E129 H130 R135 Q136 F240 H241 F251 D253 V256	Y128-M132 WeakPolarHBondContact O-CB 3.25Å; Y128-M132 VanDerWaalsContact O-CG 3.28Å; Y128-M132 WeakPolarHBondContact O-CG 3.2Å; Y128-M132 PolarHBondContact O-N 3.43Å; E129-M132 PolarHBondContact O-N 3.36Å; H130-M132 VanDerWaalsContact C-N 3.31Å; H130-M132 PolarHBondContact O-N 2.84Å; M132-R135 PolarHBondContact O-N 3.04Å; M132-Q136 VanDerWaalsContact O-CB 3.3Å; M132-Q136 WeakPolarHBondContact O-CB 3.46Å; M132-Q136 PolarHBondContact O-N 2.99Å; M132-F240 WeakPolarHBondContact O-CB 3.26Å; M132-H241 HydrophobicContact CB-CB 4.09Å; M132-F251 HydrophobicContact CE-CD1 4.43Å; M132-F251 HydrophobicContact CE-CD2 4.4Å; M132-F251 HydrophobicContact CE-CE1 3.67Å; M132-F251 HydrophobicContact CE-CE2 3.65Å; M132-F251 HydrophobicContact CE-CZ 3.23Å; M132-D253 HydrophobicContact CG-CB 3.65Å; M132-D253 HydrophobicContact SD-CB 4.41Å; M132-V256 HydrophobicContact SD-CB 3.8Å; M132-V256 HydrophobicContact SD-CG1 3.75Å; M132-V256 HydrophobicContact SD-CG2 3.95Å
133	K	98.3	Very high	97.2	Very high	86 Å²	86	37.1 Å²	37.1	37%	0.374	17%	0.174	S	C	.	.	H	α-helix	trans	-62.6	-39.5	174.2	-73.7	168.8	-178.3	164.7	0	112.1	E129 H130 V131 Q136 G137 H241	E129-K133 HydrophobicContact CG-CD 4.4Å; E129-K133 WeakPolarHBondContact O-CG 3.37Å; E129-K133 PolarHBondContact O-N 3.47Å; E129-K133 VanDerWaalsContact OE1-CE 3.25Å; E129-K133 WeakPolarHBondContact OE1-CE 3.15Å; E129-K133 IonicContact OE1-NZ 3.04Å; E129-K133 PolarHBondContact OE1-NZ 3.23Å; E129-K133 IonicContact OE2-NZ 2.66Å; E129-K133 PolarHBondContact OE2-NZ 3.39Å; H130-K133 WeakPolarHBondContact O-CB 3.27Å; H130-K133 PolarHBondContact O-N 3.08Å; H130-K133 VanDerWaalsContact O-N 3.14Å; V131-K133 PolarHBondContact O-N 3.43Å; K133-Q136 PolarHBondContact O-N 3.25Å; K133-G137 PolarHBondContact O-N 3.19Å; K133-H241 VanDerWaalsContact CE-CE1 3.43Å; K133-H241 WeakPolarHBondContact CE-CE1 3.45Å; K133-H241 VanDerWaalsContact CE-NE2 3.35Å; K133-H241 WeakPolarHBondContact CE-NE2 3.06Å; K133-H241 HydrophobicContact CG-CB 4.36Å
134	L	98.3	Very high	97.4	Very high	23 Å²	23	39.6 Å²	39.6	12%	0.12	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-47.3	175.2	-68.7	176.8	0	0	0	111.6	I47 W75 A77 D79 H130 V131 Q136 G137 A138	I47-L134 HydrophobicContact CD1-CB 3.77Å; I47-L134 HydrophobicContact CG1-CB 4.24Å; I47-L134 HydrophobicContact CG2-CD1 3.77Å; W75-L134 HydrophobicContact CH2-CB 4.17Å; W75-L134 HydrophobicContact CH2-CD2 4.13Å; W75-L134 WeakPolarHBondContact CH2-O 3.36Å; A77-L134 HydrophobicContact CB-CD1 4.35Å; A77-L134 HydrophobicContact CB-CD2 4.02Å; D79-L134 HydrophobicContact CB-CD1 4.28Å; H130-L134 WeakPolarHBondContact O-CG 3.44Å; H130-L134 PolarHBondContact O-N 3.04Å; V131-L134 PolarHBondContact O-N 3.04Å; L134-Q136 VanDerWaalsContact C-N 3.29Å; L134-Q136 PolarHBondContact O-N 3.11Å; L134-G137 PolarHBondContact O-N 3.47Å; L134-A138 PolarHBondContact O-N 2.96Å
135	R	98.4	Very high	97.5	Very high	14 Å²	14	41.1 Å²	41.1	5%	0.053	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-37.8	176	-70.1	-174.5	178.2	161.8	9.8	112.1	I47 V131 M132 A138 L139 L152 F240 D253	I47-R135 HydrophobicContact CD1-CB 4.38Å; I47-R135 HydrophobicContact CD1-CG 3.46Å; I47-R135 VanDerWaalsContact CD1-CG 3.46Å; V131-R135 WeakPolarHBondContact O-CG 3.27Å; V131-R135 PolarHBondContact O-N 2.8Å; M132-R135 PolarHBondContact O-N 3.04Å; R135-A138 PolarHBondContact O-N 3.31Å; R135-L139 PolarHBondContact O-N 2.92Å; R135-L152 HydrophobicContact CG-CD2 4.13Å; R135-F240 HydrophobicContact CB-CB 3.91Å; R135-F240 HydrophobicContact CB-CD1 3.75Å; R135-F240 HydrophobicContact CB-CD2 3.82Å; R135-F240 HydrophobicContact CB-CE1 4.22Å; R135-F240 HydrophobicContact CB-CE2 4.29Å; R135-F240 HydrophobicContact CB-CG 3.54Å; R135-F240 HydrophobicContact CB-CZ 4.49Å; R135-F240 HydrophobicContact CG-CD1 4.42Å; R135-D253 IonicContact CZ-OD2 3.02Å; R135-D253 IonicContact NH1-OD2 3.96Å; R135-D253 PolarHBondContact NH1-OD2 3.42Å; R135-D253 IonicContact NH2-OD2 2.64Å; R135-D253 PolarHBondContact NH2-OD2 3.24Å
136	Q	98.7	Very high	97.6	Very high	15 Å²	15	45.8 Å²	45.8	7%	0.07	21%	0.206	C	C	.	.	H	α-helix	trans	-62.7	-46.9	173.5	-177.6	61.9	33.9	0	0	111.4	M132 K133 L134 A138 L139 E140 F240 H241	M132-Q136 VanDerWaalsContact O-CB 3.3Å; M132-Q136 WeakPolarHBondContact O-CB 3.46Å; M132-Q136 PolarHBondContact O-N 2.99Å; K133-Q136 PolarHBondContact O-N 3.25Å; L134-Q136 VanDerWaalsContact C-N 3.29Å; L134-Q136 PolarHBondContact O-N 3.11Å; Q136-A138 VanDerWaalsContact C-N 3.3Å; Q136-A138 PolarHBondContact O-N 3.39Å; Q136-L139 WeakPolarHBondContact O-CB 3.26Å; Q136-L139 PolarHBondContact O-N 3.27Å; Q136-L139 VanDerWaalsContact O-N 3.1Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.37Å; Q136-E140 PolarHBondContact NE2-OE1 3.05Å; Q136-E140 WeakPolarHBondContact O-CG 3.34Å; Q136-E140 PolarHBondContact O-N 3Å; Q136-F240 HydrophobicContact CB-CB 4.18Å; Q136-H241 HydrophobicContact CB-CB 3.93Å; Q136-H241 HydrophobicContact CG-CB 4.3Å; Q136-H241 VanDerWaalsContact CG-O 3.28Å; Q136-H241 WeakPolarHBondContact CG-O 3.48Å; Q136-H241 PolarHBondContact OE1-O 3.4Å
137	G	98.4	Very high	97.7	Very high	13 Å²	13	42.5 Å²	42.5	13%	0.134	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-38.5	176.2	0	0	0	0	0	112.9	K133 L134 E140 S141	K133-G137 PolarHBondContact O-N 3.19Å; L134-G137 PolarHBondContact O-N 3.47Å; G137-E140 PolarHBondContact O-N 3.13Å; G137-S141 WeakPolarHBondContact O-CB 3.35Å; G137-S141 PolarHBondContact O-N 3.39Å; G137-S141 PolarHBondContact O-OG 2.76Å
138	A	98.5	Very high	97.9	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-41.8	173.2	0	0	0	0	0	112.5	L43 A45 W75 L134 R135 Q136 S141 A142	L43-A138 WeakPolarHBondContact CD2-O 3.45Å; A45-A138 HydrophobicContact CB-CB 3.69Å; W75-A138 HydrophobicContact CD2-CB 3.71Å; W75-A138 HydrophobicContact CE3-CB 3.7Å; W75-A138 HydrophobicContact CG-CB 4.23Å; W75-A138 HydrophobicContact CH2-CB 4.25Å; W75-A138 HydrophobicContact CZ2-CB 4.25Å; W75-A138 HydrophobicContact CZ3-CB 3.99Å; L134-A138 PolarHBondContact O-N 2.96Å; R135-A138 PolarHBondContact O-N 3.31Å; Q136-A138 VanDerWaalsContact C-N 3.3Å; Q136-A138 PolarHBondContact O-N 3.39Å; A138-S141 PolarHBondContact O-N 2.74Å; A138-A142 WeakPolarHBondContact O-CB 3.18Å; A138-A142 PolarHBondContact O-N 3.28Å
139	L	98.7	Very high	98	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-41.1	176.3	178.1	61.8	0	0	0	112.5	R135 Q136 R143 L150 M228 L230 F240	R135-L139 PolarHBondContact O-N 2.92Å; Q136-L139 WeakPolarHBondContact O-CB 3.26Å; Q136-L139 PolarHBondContact O-N 3.27Å; Q136-L139 VanDerWaalsContact O-N 3.1Å; L139-R143 WeakPolarHBondContact O-CG 3.5Å; L139-R143 PolarHBondContact O-N 3.46Å; L139-R143 VanDerWaalsContact O-N 3.14Å; L139-L150 HydrophobicContact CB-CD2 4.09Å; L139-L150 HydrophobicContact CD1-CD2 3.85Å; L139-M228 HydrophobicContact CD1-CE 3.9Å; L139-L230 HydrophobicContact CD1-CD2 3.77Å; L139-F240 HydrophobicContact CB-CD2 4.28Å; L139-F240 HydrophobicContact CB-CE2 4.26Å; L139-F240 HydrophobicContact CD2-CD2 4.03Å; L139-F240 HydrophobicContact CD2-CE2 4.08Å
140	E	98.4	Very high	98.1	Very high	87 Å²	87	39.6 Å²	39.6	41%	0.407	18%	0.18	S	C	.	.	H	α-helix	trans	-64.9	-48.7	175.1	-73.9	167.2	-175.6	0	0	111.2	Q136 G137 A142 R143 E144	Q136-E140 WeakPolarHBondContact CG-OE1 3.37Å; Q136-E140 PolarHBondContact NE2-OE1 3.05Å; Q136-E140 WeakPolarHBondContact O-CG 3.34Å; Q136-E140 PolarHBondContact O-N 3Å; G137-E140 PolarHBondContact O-N 3.13Å; E140-A142 VanDerWaalsContact C-N 3.28Å; E140-A142 PolarHBondContact O-N 3.4Å; E140-R143 WeakPolarHBondContact O-CB 3.29Å; E140-R143 PolarHBondContact O-N 3.46Å; E140-E144 WeakPolarHBondContact O-CG 3.49Å; E140-E144 PolarHBondContact O-N 3.05Å
141	S	98.4	Very high	98.2	Very high	11 Å²	11	37.3 Å²	37.3	8%	0.077	17%	0.169	C	C	.	.	H	α-helix	trans	-57.8	-41.6	177.3	-53.5	0	0	0	0	111.4	W75 G137 A138 R143 E144 M145	W75-S141 PolarHBondContact NE1-OG 3.35Å; W75-S141 VanDerWaalsContact NE1-OG 3.17Å; G137-S141 WeakPolarHBondContact O-CB 3.35Å; G137-S141 PolarHBondContact O-N 3.39Å; G137-S141 PolarHBondContact O-OG 2.76Å; A138-S141 PolarHBondContact O-N 2.74Å; S141-R143 VanDerWaalsContact C-N 3.35Å; S141-R143 PolarHBondContact O-N 3.44Å; S141-E144 PolarHBondContact O-N 3.03Å; S141-M145 VanDerWaalsContact O-CG 3.31Å; S141-M145 WeakPolarHBondContact O-CG 3.32Å; S141-M145 PolarHBondContact O-N 3.11Å
142	A	98.5	Very high	98.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-42.1	175.4	0	0	0	0	0	112.4	L43 A138 E140 M145 W146 A147 L150 L230	L43-A142 HydrophobicContact CB-CB 4.12Å; L43-A142 HydrophobicContact CD2-CB 3.6Å; A138-A142 WeakPolarHBondContact O-CB 3.18Å; A138-A142 PolarHBondContact O-N 3.28Å; E140-A142 VanDerWaalsContact C-N 3.28Å; E140-A142 PolarHBondContact O-N 3.4Å; A142-M145 WeakPolarHBondContact O-CG 3.46Å; A142-W146 PolarHBondContact O-N 3.44Å; A142-A147 HydrophobicContact CB-CB 4.23Å; A142-A147 WeakPolarHBondContact O-CB 3.29Å; A142-A147 PolarHBondContact O-N 3.12Å; A142-L150 HydrophobicContact CB-CB 4.28Å; A142-L150 HydrophobicContact CB-CD1 4.44Å; A142-L230 HydrophobicContact CB-CD1 3.52Å
143	R	98.1	Very high	98.3	Very high	80 Å²	80	37.4 Å²	37.4	30%	0.302	17%	0.169	S	C	.	.	H	α-helix	trans	-68.6	-44.9	177.8	-72	167.6	174.2	164.6	0.4	111.4	L139 E140 S141 M145 W146 T235 L238	L139-R143 WeakPolarHBondContact O-CG 3.5Å; L139-R143 PolarHBondContact O-N 3.46Å; L139-R143 VanDerWaalsContact O-N 3.14Å; E140-R143 WeakPolarHBondContact O-CB 3.29Å; E140-R143 PolarHBondContact O-N 3.46Å; S141-R143 VanDerWaalsContact C-N 3.35Å; S141-R143 PolarHBondContact O-N 3.44Å; R143-M145 VanDerWaalsContact C-N 3.32Å; R143-M145 PolarHBondContact O-N 3.27Å; R143-W146 PolarHBondContact O-N 2.96Å; R143-T235 PolarHBondContact NH2-O 3.42Å; R143-L238 PolarHBondContact NH2-O 3.48Å
144	E	97.6	Very high	98.2	Very high	150 Å²	150	35.2 Å²	35.2	70%	0.701	16%	0.162	S	C	*	.	H	α-helix	trans	-62.9	-37	-179.2	-73.6	177.7	178.5	0	0	112.5	E140 S141 W146	E140-E144 WeakPolarHBondContact O-CG 3.49Å; E140-E144 PolarHBondContact O-N 3.05Å; S141-E144 PolarHBondContact O-N 3.03Å; E144-W146 VanDerWaalsContact C-N 3.26Å; E144-W146 VanDerWaalsContact O-CD1 3.26Å; E144-W146 PolarHBondContact O-N 3.18Å
145	M	96.6	Very high	98.1	Very high	39 Å²	39	34.3 Å²	34.3	19%	0.192	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	1.7	175.2	78.9	-174.9	-47.3	0	0	113.9	R41 L43 A73 Y102 S141 A142 R143 A147	R41-M145 PolarHBondContact NH1-O 3.15Å; L43-M145 HydrophobicContact CB-SD 4.47Å; L43-M145 HydrophobicContact CD1-SD 3.76Å; L43-M145 HydrophobicContact CG-SD 4.49Å; A73-M145 HydrophobicContact CB-CE 3.52Å; A73-M145 HydrophobicContact CB-SD 3.95Å; Y102-M145 HydrophobicContact CD1-CE 3.83Å; Y102-M145 HydrophobicContact CG-CE 4.14Å; S141-M145 VanDerWaalsContact O-CG 3.31Å; S141-M145 WeakPolarHBondContact O-CG 3.32Å; S141-M145 PolarHBondContact O-N 3.11Å; A142-M145 WeakPolarHBondContact O-CG 3.46Å; R143-M145 VanDerWaalsContact C-N 3.32Å; R143-M145 PolarHBondContact O-N 3.27Å; M145-A147 VanDerWaalsContact C-N 3.3Å; M145-A147 HydrophobicContact CG-CB 4.02Å; M145-A147 PolarHBondContact O-N 3.24Å; M145-A147 HydrophobicContact SD-CB 4.41Å
146	W	96.9	Very high	98	Very high	200 Å²	200	35.2 Å²	35.2	76%	0.758	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	35.5	-177.5	-63	62.4	0	0	0	113.2	R41 A142 R143 E144	R41-W146 PolarHBondContact NE-O 3.01Å; R41-W146 PolarHBondContact NH2-O 2.96Å; A142-W146 PolarHBondContact O-N 3.44Å; R143-W146 PolarHBondContact O-N 2.96Å; E144-W146 VanDerWaalsContact C-N 3.26Å; E144-W146 VanDerWaalsContact O-CD1 3.26Å; E144-W146 PolarHBondContact O-N 3.18Å
147	A	98.4	Very high	98	Very high	8 Å²	8	34.5 Å²	34.5	7%	0.066	16%	0.16	C	C	.	.			trans	-59.8	140	172.9	0	0	0	0	0	110.3	L43 A142 M145 Y149	L43-A147 HydrophobicContact CB-CB 4.34Å; A142-A147 HydrophobicContact CB-CB 4.23Å; A142-A147 WeakPolarHBondContact O-CB 3.29Å; A142-A147 PolarHBondContact O-N 3.12Å; M145-A147 VanDerWaalsContact C-N 3.3Å; M145-A147 HydrophobicContact CG-CB 4.02Å; M145-A147 PolarHBondContact O-N 3.24Å; M145-A147 HydrophobicContact SD-CB 4.41Å; A147-Y149 VanDerWaalsContact C-N 3.35Å
148	D	98.7	Very high	97.9	Very high	41 Å²	41	34 Å²	34	22%	0.219	15%	0.154	C	C	.	.	S	Bend	trans	-74.9	-33.2	176.6	-66.7	-65.2	0	0	0	110.8	P40 R41 L230 R231	P40-D148 WeakPolarHBondContact CA-OD2 3.32Å; P40-D148 HydrophobicContact CB-CB 3.76Å; R41-D148 PolarHBondContact N-OD2 3.48Å; R41-D148 WeakPolarHBondContact O-CA 3.48Å; R41-D148 WeakPolarHBondContact O-CB 3.39Å; R41-D148 PolarHBondContact O-N 3.05Å; D148-L230 PolarHBondContact O-N 2.64Å; D148-R231 HydrophobicContact CB-CG 4.02Å; D148-R231 WeakPolarHBondContact OD1-CD 3.34Å
149	Y	98.9	Very high	97.8	Very high	10 Å²	10	34.1 Å²	34.1	4%	0.039	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	148.2	-179.1	-63.3	-93.4	0	0	0	112.3	P40 R41 V42 L43 A147 M169 L227 M228 D229 R231	P40-Y149 HydrophobicContact CB-CD2 3.73Å; P40-Y149 HydrophobicContact CB-CE2 3.58Å; P40-Y149 HydrophobicContact CG-CD2 4.5Å; P40-Y149 HydrophobicContact CG-CE2 3.89Å; R41-Y149 PolarHBondContact O-N 3.46Å; V42-Y149 CarbonylContact C-O 3.56Å; V42-Y149 WeakPolarHBondContact CA-O 3.36Å; L43-Y149 PolarHBondContact N-O 3.31Å; A147-Y149 VanDerWaalsContact C-N 3.35Å; Y149-M169 HydrophobicContact CD1-CE 4.42Å; Y149-M169 HydrophobicContact CD1-CG 4.28Å; Y149-M169 HydrophobicContact CD2-CE 3.65Å; Y149-M169 HydrophobicContact CD2-CG 4.41Å; Y149-M169 HydrophobicContact CD2-SD 4.18Å; Y149-M169 HydrophobicContact CE1-CB 4.49Å; Y149-M169 HydrophobicContact CE1-CG 3.78Å; Y149-M169 HydrophobicContact CE2-CE 3.96Å; Y149-M169 HydrophobicContact CE2-CG 3.93Å; Y149-M169 HydrophobicContact CE2-SD 3.84Å; Y149-M169 HydrophobicContact CG-CE 3.89Å; Y149-L227 HydrophobicContact CD1-CD1 4.15Å; Y149-L227 HydrophobicContact CD1-CD2 3.89Å; Y149-L227 HydrophobicContact CD1-CG 3.94Å; Y149-L227 HydrophobicContact CE1-CD2 4.2Å; Y149-L227 HydrophobicContact CG-CD1 4.34Å; Y149-M228 VanDerWaalsContact CA-O 3.22Å; Y149-M228 WeakPolarHBondContact CA-O 3.34Å; Y149-M228 WeakPolarHBondContact CD1-O 3.34Å; Y149-D229 HydrophobicContact CD1-CB 3.94Å; Y149-D229 HydrophobicContact CE1-CB 3.64Å; Y149-R231 VanDerWaalsContact CZ-NH2 3.31Å; Y149-R231 VanDerWaalsContact OH-CZ 3.31Å; Y149-R231 PolarHBondContact OH-NH2 3.36Å
150	L	98.9	Very high	97.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.5	166.3	168.2	66.4	0	0	0	108.3	L43 A45 L139 A142 L227 M228 L230	L43-L150 HydrophobicContact CB-CD1 4.17Å; L43-L150 HydrophobicContact CD2-CD1 4.1Å; L43-L150 HydrophobicContact CG-CD1 4.28Å; L43-L150 CarbonylContact O-C 3.5Å; L43-L150 WeakPolarHBondContact O-CA 3.48Å; A45-L150 HydrophobicContact CB-CD1 3.86Å; L139-L150 HydrophobicContact CB-CD2 4.09Å; L139-L150 HydrophobicContact CD1-CD2 3.85Å; A142-L150 HydrophobicContact CB-CB 4.28Å; A142-L150 HydrophobicContact CB-CD1 4.44Å; L150-L227 CarbonylContact O-C 3.46Å; L150-M228 HydrophobicContact CB-CB 4.4Å; L150-M228 HydrophobicContact CD2-SD 4.14Å; L150-M228 PolarHBondContact N-O 2.91Å; L150-M228 PolarHBondContact O-N 3.23Å; L150-L230 HydrophobicContact CB-CD1 4.04Å; L150-L230 HydrophobicContact CB-CD2 4.45Å; L150-L230 HydrophobicContact CB-CG 4.34Å
151	M	98.7	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.4	169.1	-168.5	176.7	177.8	0	0	109.1	L43 L44 A45 V153 L159 L165 T225 F226 L227	L43-M151 PolarHBondContact O-N 3.34Å; L44-M151 WeakPolarHBondContact CA-O 3.48Å; L44-M151 HydrophobicContact CD2-CB 3.62Å; L44-M151 HydrophobicContact CD2-CG 4.24Å; L44-M151 HydrophobicContact CD2-SD 4Å; A45-M151 PolarHBondContact N-O 3.36Å; M151-V153 HydrophobicContact CE-CG2 3.96Å; M151-V153 HydrophobicContact CG-CG2 3.75Å; M151-V153 HydrophobicContact SD-CG2 4.08Å; M151-L159 HydrophobicContact CE-CD1 3.64Å; M151-L165 HydrophobicContact CB-CD2 4.49Å; M151-L165 HydrophobicContact SD-CD2 3.43Å; M151-L165 WeakPolarHBondContact SD-CD2 3.37Å; M151-L165 HydrophobicContact SD-CG 4.21Å; M151-T225 HydrophobicContact CE-CG2 3.38Å; M151-F226 WeakPolarHBondContact CA-O 3.25Å; M151-L227 HydrophobicContact CB-CD1 3.8Å; M151-L227 HydrophobicContact CG-CD1 4.28Å
152	L	98.6	Very high	97.5	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	134.9	167.8	-75	161	0	0	0	108.1	A45 R135 T225 F226 F240	A45-L152 HydrophobicContact CB-CD2 3.63Å; A45-L152 HydrophobicContact CB-CG 4.45Å; R135-L152 HydrophobicContact CG-CD2 4.13Å; L152-T225 VanDerWaalsContact O-CA 3.27Å; L152-T225 WeakPolarHBondContact O-CA 3.41Å; L152-F226 HydrophobicContact CB-CE1 4.24Å; L152-F226 HydrophobicContact CB-CZ 4.37Å; L152-F226 HydrophobicContact CD1-CE1 3.92Å; L152-F226 HydrophobicContact CD1-CE2 3.86Å; L152-F226 HydrophobicContact CD1-CZ 3.35Å; L152-F226 HydrophobicContact CG-CZ 4.45Å; L152-F226 PolarHBondContact N-O 3.34Å; L152-F226 PolarHBondContact O-N 3.06Å; L152-F226 VanDerWaalsContact O-N 3.12Å; L152-F240 HydrophobicContact CD1-CE1 3.88Å; L152-F240 HydrophobicContact CD1-CE2 4Å; L152-F240 HydrophobicContact CD1-CZ 3.3Å
153	V	97.8	Very high	97.5	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	111.7	180	-162.6	0	0	0	0	109.3	A45 L46 F58 M151 N157 L159 T225	A45-V153 PolarHBondContact O-N 2.99Å; L46-V153 HydrophobicContact CD2-CB 4.25Å; F58-V153 HydrophobicContact CE2-CB 4.42Å; F58-V153 HydrophobicContact CE2-CG1 3.61Å; F58-V153 HydrophobicContact CZ-CB 4.31Å; F58-V153 HydrophobicContact CZ-CG1 3.97Å; M151-V153 HydrophobicContact CE-CG2 3.96Å; M151-V153 HydrophobicContact CG-CG2 3.75Å; M151-V153 HydrophobicContact SD-CG2 4.08Å; V153-N157 HydrophobicContact CG1-CB 4.29Å; V153-L159 HydrophobicContact CG1-CD1 4.1Å; V153-L159 HydrophobicContact CG1-CG 4.5Å; V153-T225 HydrophobicContact CG1-CG2 4.2Å; V153-T225 HydrophobicContact CG2-CG2 4.31Å
154	D	97.1	Very high	97.5	Very high	41 Å²	41	36 Å²	36	22%	0.219	17%	0.165	C	C	.	.			trans	-63.7	143.6	171.4	-57.7	-18.1	0	0	0	110.7	F58 D156 N157 S224	F58-D154 VanDerWaalsContact CE2-O 3.24Å; F58-D154 WeakPolarHBondContact CE2-O 3.33Å; D154-D156 WeakPolarHBondContact CB-OD1 3.48Å; D154-D156 PolarHBondContact O-N 3.06Å; D154-N157 WeakPolarHBondContact CB-ND2 3.32Å; D154-N157 PolarHBondContact N-ND2 3.16Å; D154-N157 WeakPolarHBondContact O-CB 3.15Å; D154-N157 PolarHBondContact O-N 3.26Å; D154-S224 PolarHBondContact N-O 2.77Å; D154-S224 WeakPolarHBondContact OD2-CA 3.38Å; D154-S224 WeakPolarHBondContact OD2-CB 3.2Å; D154-S224 PolarHBondContact OD2-OG 2.75Å
155	C	96.6	Very high	97.6	Very high	3 Å²	3	29 Å²	29	2%	0.02	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	3.9	-166.6	-52.5	0	0	0	0	115	I47 C48 S54 L55 F58	I47-C155 VanDerWaalsContact C-SG 3.55Å; I47-C155 PolarHBondContact O-SG 2.58Å; C48-C155 WeakPolarHBondContact CA-SG 3.24Å; C48-C155 HydrophobicContact CB-CB 3.98Å; C48-C155 WeakPolarHBondContact CB-SG 3.45Å; C48-C155 WeakPolarHBondContact SG-CB 3.38Å; C48-C155 CovalentContact SG-SG 2.06Å; C48-C155 PolarHBondContact SG-SG 3.3Å; S54-C155 PolarHBondContact OG-O 3.45Å; S54-C155 VanDerWaalsContact OG-O 3.11Å; L55-C155 HydrophobicContact CD2-CB 4.31Å; F58-C155 WeakPolarHBondContact CB-O 3.27Å; F58-C155 HydrophobicContact CD1-CB 4.18Å; F58-C155 WeakPolarHBondContact CD2-O 3.37Å; F58-C155 HydrophobicContact CE1-CB 4.14Å; F58-C155 WeakPolarHBondContact CG-O 3.19Å
156	D	96.2	Very high	97.6	Very high	34 Å²	34	31.9 Å²	31.9	18%	0.182	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-2.1	174.9	61.2	-9.4	0	0	0	113.1	D154 L158 P280 F296	D154-D156 WeakPolarHBondContact CB-OD1 3.48Å; D154-D156 PolarHBondContact O-N 3.06Å; D156-L158 PolarHBondContact O-N 3.04Å; D156-P280 HydrophobicContact CB-CG 3.93Å; D156-P280 WeakPolarHBondContact O-CD 3.47Å; D156-P280 VanDerWaalsContact OD2-CG 3.3Å; D156-P280 WeakPolarHBondContact OD2-CG 3.32Å; D156-F296 HydrophobicContact CB-CD2 4.3Å; D156-F296 HydrophobicContact CB-CE2 4.46Å
157	N	97.4	Very high	97.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.116	C	C	.	.			trans	-81.5	116.1	177.1	-70.3	-38.1	0	0	0	112.3	F58 V153 D154 L159 L180 T225 I279	F58-N157 VanDerWaalsContact CD2-O 3.26Å; F58-N157 WeakPolarHBondContact CD2-O 3.24Å; V153-N157 HydrophobicContact CG1-CB 4.29Å; D154-N157 WeakPolarHBondContact CB-ND2 3.32Å; D154-N157 PolarHBondContact N-ND2 3.16Å; D154-N157 WeakPolarHBondContact O-CB 3.15Å; D154-N157 PolarHBondContact O-N 3.26Å; N157-L159 PolarHBondContact O-N 3.1Å; N157-L180 HydrophobicContact CB-CD1 3.87Å; N157-L180 WeakPolarHBondContact OD1-CD1 3.11Å; N157-T225 WeakPolarHBondContact CB-OG1 2.84Å; N157-T225 PolarHBondContact ND2-OG1 2.95Å; N157-I279 WeakPolarHBondContact OD1-CB 3.19Å; N157-I279 WeakPolarHBondContact OD1-CD1 3.46Å; N157-I279 WeakPolarHBondContact OD1-CG1 3.06Å
158	L	97.1	Very high	97.7	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-90	96.3	-176.5	-63.3	173.1	0	0	0	111.1	T61 D156 T160 G277 Y278 F296 V303 L310	T61-L158 HydrophobicContact CG2-CD2 4.28Å; D156-L158 PolarHBondContact O-N 3.04Å; L158-T160 PolarHBondContact O-N 3.15Å; L158-G277 CarbonylContact O-C 3.42Å; L158-G277 WeakPolarHBondContact O-CA 3.2Å; L158-Y278 PolarHBondContact N-O 3.44Å; L158-Y278 PolarHBondContact O-N 2.71Å; L158-F296 HydrophobicContact CD1-CE2 4.19Å; L158-F296 HydrophobicContact CD1-CZ 4.22Å; L158-F296 HydrophobicContact CD2-CE2 4.22Å; L158-F296 HydrophobicContact CD2-CZ 4.01Å; L158-F296 HydrophobicContact CG-CE2 4.21Å; L158-F296 HydrophobicContact CG-CZ 4.39Å; L158-V303 HydrophobicContact CD1-CG2 4.15Å; L158-L310 HydrophobicContact CB-CD1 4.14Å; L158-L310 HydrophobicContact CD1-CD1 3.73Å; L158-L310 HydrophobicContact CD2-CD1 4.18Å; L158-L310 HydrophobicContact CG-CD1 4.24Å
159	L	96.8	Very high	97.7	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.016	11%	0.107	C	C	.	.			trans	-76.6	86.9	176	-59.2	-178.6	0	0	0	111.4	T61 I62 L65 M151 V153 N157 V164 L180 T225	T61-L159 WeakPolarHBondContact CB-O 3.31Å; I62-L159 HydrophobicContact CD1-CD1 4.33Å; L65-L159 HydrophobicContact CD2-CD1 4.48Å; M151-L159 HydrophobicContact CE-CD1 3.64Å; V153-L159 HydrophobicContact CG1-CD1 4.1Å; V153-L159 HydrophobicContact CG1-CG 4.5Å; N157-L159 PolarHBondContact O-N 3.1Å; L159-V164 HydrophobicContact CD1-CG1 4.39Å; L159-L180 HydrophobicContact CD2-CD2 4.03Å; L159-T225 HydrophobicContact CD2-CG2 4.18Å
160	T	95.8	Very high	97.6	Very high	35 Å²	35	31.5 Å²	31.5	22%	0.215	14%	0.142	C	C	.	.			trans	-75	-29.9	-177.9	59.9	0	0	0	0	112.3	L158 R162 Y276 G277 Y278 V303 L310	L158-T160 PolarHBondContact O-N 3.15Å; T160-R162 PolarHBondContact O-N 3.18Å; T160-Y276 PolarHBondContact N-O 3.21Å; T160-G277 WeakPolarHBondContact OG1-CA 3.24Å; T160-Y278 HydrophobicContact CG2-CD2 3.59Å; T160-Y278 HydrophobicContact CG2-CE2 3.79Å; T160-V303 HydrophobicContact CG2-CG1 3.93Å; T160-L310 HydrophobicContact CG2-CD1 4.26Å; T160-L310 HydrophobicContact CG2-CD2 4.09Å
161	D	96.5	Very high	97.6	Very high	17 Å²	17	33.6 Å²	33.6	9%	0.091	15%	0.152	C	C	.	.			trans	-80	106.1	174.6	-176	-1	0	0	0	111.3	D163 V164 K167 Y276	D161-D163 PolarHBondContact O-N 3.49Å; D161-D163 VanDerWaalsContact O-N 3.17Å; D161-D163 PolarHBondContact OD1-N 2.95Å; D161-V164 HydrophobicContact CB-CB 4.39Å; D161-V164 WeakPolarHBondContact O-CB 3.5Å; D161-V164 WeakPolarHBondContact O-CG1 3.2Å; D161-V164 PolarHBondContact O-N 3.41Å; D161-K167 IonicContact OD1-NZ 3.07Å; D161-K167 PolarHBondContact OD1-NZ 3.04Å; D161-K167 WeakPolarHBondContact OD2-CD 3.33Å; D161-K167 WeakPolarHBondContact OD2-CE 3.5Å; D161-K167 IonicContact OD2-NZ 2.69Å; D161-K167 PolarHBondContact OD2-NZ 2.96Å; D161-Y276 HydrophobicContact CB-CD1 4.3Å; D161-Y276 WeakPolarHBondContact CB-O 3.38Å; D161-Y276 PolarHBondContact N-O 2.78Å; D161-Y276 WeakPolarHBondContact OD2-CD1 3.5Å
162	R	97.4	Very high	97.5	Very high	117 Å²	117	38.5 Å²	38.5	44%	0.442	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.3	-177.8	-57.2	178.9	64.1	179.8	1.4	113.1	R64 K66 T160	R64-R162 HydrophobicContact CB-CG 4.45Å; R64-R162 PolarHBondContact O-NE 3.02Å; R64-R162 PolarHBondContact O-NH2 2.94Å; R64-R162 VanDerWaalsContact O-NH2 3.14Å; K66-R162 HydrophobicContact CD-CB 4.01Å; K66-R162 HydrophobicContact CG-CB 3.95Å; K66-R162 PolarHBondContact N-O 3.45Å; T160-R162 PolarHBondContact O-N 3.18Å
163	D	98.1	Very high	97.5	Very high	47 Å²	47	41.5 Å²	41.5	25%	0.251	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	9.2	-175.9	-67	-67.4	0	0	0	112.1	K66 D161 L165 W166 K167	K66-D163 WeakPolarHBondContact CD-OD1 3.45Å; K66-D163 WeakPolarHBondContact CD-OD2 3.19Å; K66-D163 IonicContact NZ-OD1 3.8Å; K66-D163 IonicContact NZ-OD2 2.74Å; K66-D163 PolarHBondContact NZ-OD2 3.02Å; D161-D163 PolarHBondContact O-N 3.49Å; D161-D163 VanDerWaalsContact O-N 3.17Å; D161-D163 PolarHBondContact OD1-N 2.95Å; D163-L165 VanDerWaalsContact C-N 3.34Å; D163-L165 PolarHBondContact O-N 3.05Å; D163-W166 PolarHBondContact O-N 3.43Å; D163-W166 VanDerWaalsContact O-N 3.12Å; D163-K167 HydrophobicContact CB-CD 4.46Å; D163-K167 WeakPolarHBondContact O-CG 3.31Å; D163-K167 PolarHBondContact O-N 3.26Å; D163-K167 VanDerWaalsContact O-N 3.1Å
164	V	98.1	Very high	97.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-52.5	-43.1	-174.5	64.2	0	0	0	0	113.8	L65 L159 D161 W166 K167 L168 P178 Y276	L65-V164 HydrophobicContact CD2-CG1 3.69Å; L159-V164 HydrophobicContact CD1-CG1 4.39Å; D161-V164 HydrophobicContact CB-CB 4.39Å; D161-V164 WeakPolarHBondContact O-CB 3.5Å; D161-V164 WeakPolarHBondContact O-CG1 3.2Å; D161-V164 PolarHBondContact O-N 3.41Å; V164-W166 PolarHBondContact O-N 3.2Å; V164-K167 PolarHBondContact O-N 3.49Å; V164-L168 HydrophobicContact CG2-CD1 3.88Å; V164-L168 HydrophobicContact CG2-CG 4.09Å; V164-L168 VanDerWaalsContact O-CG 3.29Å; V164-L168 WeakPolarHBondContact O-CG 3.29Å; V164-L168 PolarHBondContact O-N 2.87Å; V164-P178 HydrophobicContact CG2-CB 3.84Å; V164-P178 HydrophobicContact CG2-CG 4.05Å; V164-Y276 HydrophobicContact CB-CD1 4.26Å; V164-Y276 HydrophobicContact CG2-CD1 3.77Å; V164-Y276 HydrophobicContact CG2-CG 4.28Å
165	L	98.4	Very high	97.6	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-57.6	-50.4	178.6	-78.3	170.9	0	0	0	111.5	V42 L65 Y67 M72 M151 D163 K167 L168 M169 L227	V42-L165 HydrophobicContact CG1-CD2 4.11Å; L65-L165 HydrophobicContact CD1-CD1 4.24Å; Y67-L165 HydrophobicContact CD1-CD1 4.46Å; Y67-L165 HydrophobicContact CD2-CB 3.86Å; Y67-L165 HydrophobicContact CD2-CD1 3.87Å; Y67-L165 HydrophobicContact CE2-CB 4.24Å; Y67-L165 HydrophobicContact CG-CD1 3.81Å; M72-L165 HydrophobicContact CE-CD1 4.11Å; M151-L165 HydrophobicContact CB-CD2 4.49Å; M151-L165 HydrophobicContact SD-CD2 3.43Å; M151-L165 WeakPolarHBondContact SD-CD2 3.37Å; M151-L165 HydrophobicContact SD-CG 4.21Å; D163-L165 VanDerWaalsContact C-N 3.34Å; D163-L165 PolarHBondContact O-N 3.05Å; L165-K167 VanDerWaalsContact C-N 3.33Å; L165-K167 PolarHBondContact O-N 3.32Å; L165-L168 PolarHBondContact O-N 2.9Å; L165-M169 HydrophobicContact CB-CE 4.32Å; L165-M169 HydrophobicContact CD2-CE 4.29Å; L165-M169 WeakPolarHBondContact O-CB 3.28Å; L165-M169 WeakPolarHBondContact O-CG 3.17Å; L165-M169 PolarHBondContact O-N 2.92Å; L165-L227 HydrophobicContact CD2-CD1 3.99Å
166	W	98.2	Very high	97.7	Very high	101 Å²	101	40.5 Å²	40.5	38%	0.383	19%	0.187	S	C	.	.	H	α-helix	trans	-62.5	-41.6	179.2	-67.6	118.2	0	0	0	112.2	A39 K66 Y67 D163 V164 M169 K170	A39-W166 HydrophobicContact CB-CH2 3.49Å; A39-W166 VanDerWaalsContact CB-CH2 3.49Å; A39-W166 HydrophobicContact CB-CZ2 3.9Å; K66-W166 PolarHBondContact O-NE1 3.35Å; Y67-W166 HydrophobicContact CD2-CD2 4.05Å; Y67-W166 AromaticContact CD2-CE2 3.47Å; Y67-W166 VanDerWaalsContact CD2-CE2 3.47Å; Y67-W166 HydrophobicContact CD2-CG 4.46Å; Y67-W166 HydrophobicContact CD2-CH2 4.41Å; Y67-W166 AromaticContact CD2-CZ2 3.69Å; Y67-W166 HydrophobicContact CD2-CZ2 3.69Å; Y67-W166 AromaticContact CD2-NE1 3.54Å; Y67-W166 AromaticContact CE2-CD2 3.87Å; Y67-W166 HydrophobicContact CE2-CD2 3.87Å; Y67-W166 AromaticContact CE2-CE2 3.54Å; Y67-W166 HydrophobicContact CE2-CE3 4.08Å; Y67-W166 AromaticContact CE2-CH2 3.74Å; Y67-W166 HydrophobicContact CE2-CH2 3.74Å; Y67-W166 AromaticContact CE2-CZ2 3.48Å; Y67-W166 HydrophobicContact CE2-CZ2 3.48Å; Y67-W166 VanDerWaalsContact CE2-CZ2 3.48Å; Y67-W166 HydrophobicContact CE2-CZ3 4.02Å; D163-W166 PolarHBondContact O-N 3.43Å; D163-W166 VanDerWaalsContact O-N 3.12Å; V164-W166 PolarHBondContact O-N 3.2Å; W166-M169 HydrophobicContact CE3-SD 4.29Å; W166-M169 HydrophobicContact CZ3-SD 4.49Å; W166-M169 PolarHBondContact O-N 2.74Å; W166-K170 WeakPolarHBondContact O-CB 3.2Å; W166-K170 PolarHBondContact O-N 2.87Å
167	K	98.3	Very high	97.8	Very high	51 Å²	51	38.9 Å²	38.9	22%	0.222	18%	0.178	C	C	.	.	H	α-helix	trans	-63.7	-45.2	179.8	-68.8	174.1	-176.8	174.5	0	111.3	D161 D163 V164 L165 K170 E274 Y276	D161-K167 IonicContact OD1-NZ 3.07Å; D161-K167 PolarHBondContact OD1-NZ 3.04Å; D161-K167 WeakPolarHBondContact OD2-CD 3.33Å; D161-K167 WeakPolarHBondContact OD2-CE 3.5Å; D161-K167 IonicContact OD2-NZ 2.69Å; D161-K167 PolarHBondContact OD2-NZ 2.96Å; D163-K167 HydrophobicContact CB-CD 4.46Å; D163-K167 WeakPolarHBondContact O-CG 3.31Å; D163-K167 PolarHBondContact O-N 3.26Å; D163-K167 VanDerWaalsContact O-N 3.1Å; V164-K167 PolarHBondContact O-N 3.49Å; L165-K167 VanDerWaalsContact C-N 3.33Å; L165-K167 PolarHBondContact O-N 3.32Å; K167-K170 WeakPolarHBondContact O-CB 3.26Å; K167-K170 PolarHBondContact O-N 2.91Å; K167-E274 WeakPolarHBondContact CE-OE2 3.02Å; K167-E274 IonicContact NZ-OE2 3.95Å; K167-E274 PolarHBondContact NZ-OE2 3.35Å; K167-Y276 HydrophobicContact CB-CE1 4.06Å; K167-Y276 HydrophobicContact CD-CE1 3.84Å
168	L	98.5	Very high	97.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-67.1	-41.9	177	-65.2	-178.7	0	0	0	112.3	V164 L165 K170 E171 I176 P178 L227 C271	V164-L168 HydrophobicContact CG2-CD1 3.88Å; V164-L168 HydrophobicContact CG2-CG 4.09Å; V164-L168 VanDerWaalsContact O-CG 3.29Å; V164-L168 WeakPolarHBondContact O-CG 3.29Å; V164-L168 PolarHBondContact O-N 2.87Å; L165-L168 PolarHBondContact O-N 2.9Å; L168-K170 VanDerWaalsContact C-N 3.27Å; L168-K170 PolarHBondContact O-N 3.48Å; L168-E171 PolarHBondContact O-N 3.03Å; L168-I176 HydrophobicContact CB-CG2 4.02Å; L168-I176 HydrophobicContact CD2-CD1 3.99Å; L168-I176 HydrophobicContact CD2-CG1 4.02Å; L168-I176 HydrophobicContact CD2-CG2 4.39Å; L168-P178 HydrophobicContact CD1-CB 4.2Å; L168-P178 HydrophobicContact CD1-CG 3.96Å; L168-P178 HydrophobicContact CD2-CB 4.24Å; L168-L227 HydrophobicContact CB-CD2 3.75Å; L168-L227 HydrophobicContact CD1-CB 4.1Å; L168-C271 HydrophobicContact CD2-CB 4.17Å
169	M	98.4	Very high	97.9	Very high	18 Å²	18	38.8 Å²	38.8	9%	0.089	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-38.1	176.7	-71.1	174.9	-172.5	0	0	112.1	P40 V42 Y67 Y149 L165 W166 E171 N172 L227	P40-M169 HydrophobicContact CG-SD 4.38Å; V42-M169 HydrophobicContact CG2-CE 3.39Å; Y67-M169 HydrophobicContact CE2-CE 3.84Å; Y67-M169 HydrophobicContact CE2-SD 3.99Å; Y149-M169 HydrophobicContact CD1-CE 4.42Å; Y149-M169 HydrophobicContact CD1-CG 4.28Å; Y149-M169 HydrophobicContact CD2-CE 3.65Å; Y149-M169 HydrophobicContact CD2-CG 4.41Å; Y149-M169 HydrophobicContact CD2-SD 4.18Å; Y149-M169 HydrophobicContact CE1-CB 4.49Å; Y149-M169 HydrophobicContact CE1-CG 3.78Å; Y149-M169 HydrophobicContact CE2-CE 3.96Å; Y149-M169 HydrophobicContact CE2-CG 3.93Å; Y149-M169 HydrophobicContact CE2-SD 3.84Å; Y149-M169 HydrophobicContact CG-CE 3.89Å; L165-M169 HydrophobicContact CB-CE 4.32Å; L165-M169 HydrophobicContact CD2-CE 4.29Å; L165-M169 WeakPolarHBondContact O-CB 3.28Å; L165-M169 WeakPolarHBondContact O-CG 3.17Å; L165-M169 PolarHBondContact O-N 2.92Å; W166-M169 HydrophobicContact CE3-SD 4.29Å; W166-M169 HydrophobicContact CZ3-SD 4.49Å; W166-M169 PolarHBondContact O-N 2.74Å; M169-E171 PolarHBondContact O-N 2.74Å; M169-N172 PolarHBondContact O-N 2.9Å; M169-N172 VanDerWaalsContact O-N 3.11Å; M169-L227 HydrophobicContact CE-CD2 4.48Å; M169-L227 HydrophobicContact CG-CD2 3.8Å
170	K	97.7	Very high	97.9	Very high	181 Å²	181	38.7 Å²	38.7	79%	0.787	18%	0.177	S	C	*	.	H	α-helix	trans	-62.1	-28.5	179.3	-173.6	178.5	179	-178.9	0	113.2	W166 K167 L168 N172	W166-K170 WeakPolarHBondContact O-CB 3.2Å; W166-K170 PolarHBondContact O-N 2.87Å; K167-K170 WeakPolarHBondContact O-CB 3.26Å; K167-K170 PolarHBondContact O-N 2.91Å; L168-K170 VanDerWaalsContact C-N 3.27Å; L168-K170 PolarHBondContact O-N 3.48Å; K170-N172 PolarHBondContact O-N 3.22Å
171	E	97.8	Very high	97.8	Very high	43 Å²	43	39.1 Å²	39.1	20%	0.201	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-10.6	178.5	-64.1	-66.9	160.5	0	0	113.1	L168 M169 K173 I176 C216 R273	L168-E171 PolarHBondContact O-N 3.03Å; M169-E171 PolarHBondContact O-N 2.74Å; E171-K173 VanDerWaalsContact C-N 3.31Å; E171-K173 HydrophobicContact CB-CG 4.2Å; E171-K173 WeakPolarHBondContact O-CD 3.35Å; E171-K173 WeakPolarHBondContact O-CE 3.38Å; E171-K173 WeakPolarHBondContact O-CG 3.5Å; E171-K173 PolarHBondContact O-N 3.35Å; E171-I176 HydrophobicContact CB-CD1 3.57Å; E171-I176 HydrophobicContact CG-CD1 3.89Å; E171-C216 VanDerWaalsContact CG-SG 3.55Å; E171-C216 PolarHBondContact OE2-SG 3.14Å; E171-R273 WeakPolarHBondContact OE1-CD 3.34Å; E171-R273 IonicContact OE1-CZ 3.4Å; E171-R273 IonicContact OE1-NE 2.98Å; E171-R273 PolarHBondContact OE1-NE 3.41Å; E171-R273 IonicContact OE1-NH2 2.86Å; E171-R273 IonicContact OE2-NE 3.91Å; E171-R273 IonicContact OE2-NH2 3.9Å
172	N	97.4	Very high	97.5	Very high	103 Å²	103	39.3 Å²	39.3	55%	0.551	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	48	175.6	-172.6	13	0	0	0	112.9	M169 K170 K232	M169-N172 PolarHBondContact O-N 2.9Å; M169-N172 VanDerWaalsContact O-N 3.11Å; K170-N172 PolarHBondContact O-N 3.22Å; N172-K232 VanDerWaalsContact C-NZ 3.31Å; N172-K232 PolarHBondContact O-NZ 3.16Å; N172-K232 WeakPolarHBondContact OD1-CE 3.29Å; N172-K232 PolarHBondContact OD1-NZ 3.07Å
173	K	97.9	Very high	96.9	Very high	69 Å²	69	35.6 Å²	35.6	30%	0.3	17%	0.165	S	C	.	.			trans	-104.7	153.2	176.1	-58.4	-50.6	-179.8	-173.7	0	110.7	E171 I176 K232 F269	E171-K173 VanDerWaalsContact C-N 3.31Å; E171-K173 HydrophobicContact CB-CG 4.2Å; E171-K173 WeakPolarHBondContact O-CD 3.35Å; E171-K173 WeakPolarHBondContact O-CE 3.38Å; E171-K173 WeakPolarHBondContact O-CG 3.5Å; E171-K173 PolarHBondContact O-N 3.35Å; K173-I176 HydrophobicContact CB-CB 3.92Å; K173-I176 HydrophobicContact CB-CD1 4.33Å; K173-I176 HydrophobicContact CB-CG2 4.35Å; K173-I176 HydrophobicContact CG-CD1 4.05Å; K173-K232 VanDerWaalsContact C-NZ 3.34Å; K173-F269 HydrophobicContact CB-CD2 3.89Å; K173-F269 HydrophobicContact CB-CE2 4.47Å; K173-F269 HydrophobicContact CB-CG 4.33Å; K173-F269 HydrophobicContact CD-CD1 4.23Å; K173-F269 HydrophobicContact CD-CD2 3.85Å; K173-F269 HydrophobicContact CD-CE1 4.21Å; K173-F269 HydrophobicContact CD-CE2 3.83Å; K173-F269 HydrophobicContact CD-CG 4.07Å; K173-F269 HydrophobicContact CD-CZ 4.02Å; K173-F269 HydrophobicContact CG-CB 4.22Å; K173-F269 HydrophobicContact CG-CD1 4.42Å; K173-F269 HydrophobicContact CG-CD2 3.85Å; K173-F269 HydrophobicContact CG-CE2 4.34Å; K173-F269 HydrophobicContact CG-CG 3.9Å
174	T	98.2	Very high	96.1	Very high	24 Å²	24	35.3 Å²	35.3	15%	0.147	17%	0.173	C	C	.	.	S	Bend	trans	-74.1	-45.5	-179.1	-52.6	0	0	0	0	110.9	M228 D229 K232 T235 V266	T174-M228 CarbonylContact O-C 3.27Å; T174-M228 VanDerWaalsContact O-CA 3.32Å; T174-M228 WeakPolarHBondContact O-CA 3.2Å; T174-D229 PolarHBondContact O-N 3.05Å; T174-K232 HydrophobicContact CG2-CB 4.41Å; T174-K232 HydrophobicContact CG2-CD 4.25Å; T174-K232 WeakPolarHBondContact OG1-CD 3.49Å; T174-T235 HydrophobicContact CG2-CG2 3.37Å; T174-V266 HydrophobicContact CG2-CG1 3.61Å; T174-V266 HydrophobicContact CG2-CG2 4.39Å
175	I	98.8	Very high	95.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.8	171.2	-56.9	175.1	0	0	0	107.2	V222 F226 L227 M228 L238 F257 A261 V266 M268 F269	I175-V222 HydrophobicContact CG2-CG2 3.9Å; I175-F226 HydrophobicContact CG2-CD2 3.81Å; I175-F226 HydrophobicContact CG2-CE2 4.33Å; I175-F226 HydrophobicContact CG2-CG 4.48Å; I175-L227 WeakPolarHBondContact CA-O 3.46Å; I175-M228 HydrophobicContact CG1-CG 4.31Å; I175-L238 HydrophobicContact CD1-CD1 3.93Å; I175-L238 HydrophobicContact CD1-CD2 4.46Å; I175-L238 HydrophobicContact CG1-CD1 4.35Å; I175-F257 HydrophobicContact CD1-CE1 4.12Å; I175-F257 HydrophobicContact CD1-CZ 3.94Å; I175-A261 HydrophobicContact CD1-CB 4.03Å; I175-V266 HydrophobicContact CD1-CG1 3.68Å; I175-V266 HydrophobicContact CG1-CG1 3.86Å; I175-M268 HydrophobicContact CB-CG 3.95Å; I175-M268 HydrophobicContact CD1-CG 3.91Å; I175-M268 HydrophobicContact CG2-CB 4.39Å; I175-M268 HydrophobicContact CG2-CG 3.79Å; I175-F269 PolarHBondContact O-N 3.37Å; I175-F269 VanDerWaalsContact O-N 3.09Å
176	I	98.8	Very high	95.1	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	129.8	179.2	-170.4	174.5	0	0	0	112.1	L168 E171 K173 F226 L227 F269 C271	L168-I176 HydrophobicContact CB-CG2 4.02Å; L168-I176 HydrophobicContact CD2-CD1 3.99Å; L168-I176 HydrophobicContact CD2-CG1 4.02Å; L168-I176 HydrophobicContact CD2-CG2 4.39Å; E171-I176 HydrophobicContact CB-CD1 3.57Å; E171-I176 HydrophobicContact CG-CD1 3.89Å; K173-I176 HydrophobicContact CB-CB 3.92Å; K173-I176 HydrophobicContact CB-CD1 4.33Å; K173-I176 HydrophobicContact CB-CG2 4.35Å; K173-I176 HydrophobicContact CG-CD1 4.05Å; I176-F226 WeakPolarHBondContact O-CA 3.39Å; I176-L227 HydrophobicContact CG2-CB 4.14Å; I176-L227 PolarHBondContact N-O 2.89Å; I176-L227 PolarHBondContact O-N 2.81Å; I176-F269 CarbonylContact C-O 3.54Å; I176-F269 VanDerWaalsContact CA-O 3.27Å; I176-F269 WeakPolarHBondContact CA-O 3.33Å; I176-F269 HydrophobicContact CB-CB 4.4Å; I176-F269 HydrophobicContact CG1-CB 4.12Å; I176-C271 HydrophobicContact CD1-CB 4.11Å; I176-C271 HydrophobicContact CG1-CB 4.39Å
177	A	98.8	Very high	94.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.1	173.1	0	0	0	0	0	111.4	V222 T225 F226 F269 C271	A177-V222 HydrophobicContact CB-CB 3.64Å; A177-V222 HydrophobicContact CB-CG1 3.71Å; A177-V222 HydrophobicContact CB-CG2 4.05Å; A177-T225 WeakPolarHBondContact CB-O 3.33Å; A177-F226 HydrophobicContact CB-CB 3.93Å; A177-F269 PolarHBondContact N-O 3.04Å; A177-C271 PolarHBondContact O-N 2.82Å
178	P	98.4	Very high	94.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	130	158.5	29.4	-26	0	0	0	108.4	V164 L168 L180 N188 T225 Y276	V164-P178 HydrophobicContact CG2-CB 3.84Å; V164-P178 HydrophobicContact CG2-CG 4.05Å; L168-P178 HydrophobicContact CD1-CB 4.2Å; L168-P178 HydrophobicContact CD1-CG 3.96Å; L168-P178 HydrophobicContact CD2-CB 4.24Å; P178-L180 HydrophobicContact CG-CD2 4.41Å; P178-L180 PolarHBondContact O-N 2.82Å; P178-N188 PolarHBondContact O-ND2 3.24Å; P178-T225 WeakPolarHBondContact CD-O 3.27Å; P178-T225 HydrophobicContact CG-CG2 3.95Å; P178-Y276 VanDerWaalsContact CB-CB 3.49Å; P178-Y276 HydrophobicContact CB-CD1 4.27Å; P178-Y276 HydrophobicContact CB-CD2 3.76Å; P178-Y276 HydrophobicContact CB-CG 3.57Å
179	M	98.1	Very high	94.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-67.4	118.1	172.8	-167.5	-176.2	79.9	0	0	108.8	F189 I208 R209 Q211 V270 C271 N272	M179-F189 HydrophobicContact CG-CD1 4.25Å; M179-F189 HydrophobicContact CG-CE1 3.84Å; M179-F189 HydrophobicContact SD-CE1 3.86Å; M179-F189 HydrophobicContact SD-CZ 4.37Å; M179-I208 HydrophobicContact SD-CG2 4.35Å; M179-R209 WeakPolarHBondContact CE-O 3.48Å; M179-Q211 HydrophobicContact CE-CG 3.56Å; M179-V270 HydrophobicContact CB-CG2 3.79Å; M179-V270 HydrophobicContact CG-CG2 4.21Å; M179-C271 VanDerWaalsContact CB-O 3.25Å; M179-C271 WeakPolarHBondContact CB-O 3.47Å; M179-C271 PolarHBondContact N-O 3.45Å; M179-N272 HydrophobicContact CB-CB 3.84Å; M179-N272 HydrophobicContact CE-CB 3.68Å; M179-N272 HydrophobicContact CG-CB 4.32Å; M179-N272 HydrophobicContact SD-CB 3.53Å; M179-N272 VanDerWaalsContact SD-CB 3.53Å
180	L	96.7	Very high	94.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-93.2	137.1	176.5	-57.8	-179.7	0	0	0	110	N157 L159 P178 N188 G277 I279	N157-L180 HydrophobicContact CB-CD1 3.87Å; N157-L180 WeakPolarHBondContact OD1-CD1 3.11Å; L159-L180 HydrophobicContact CD2-CD2 4.03Å; P178-L180 HydrophobicContact CG-CD2 4.41Å; P178-L180 PolarHBondContact O-N 2.82Å; L180-N188 PolarHBondContact N-OD1 3.32Å; L180-G277 WeakPolarHBondContact CA-O 3.45Å; L180-I279 HydrophobicContact CB-CB 3.88Å; L180-I279 HydrophobicContact CB-CG2 3.62Å; L180-I279 HydrophobicContact CD1-CB 4Å; L180-I279 HydrophobicContact CD1-CD1 4.5Å
181	E	93.3	Very high	94.3	Very high	44 Å²	44	25.7 Å²	25.7	21%	0.206	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-80.6	135.1	176.1	-73.5	-175.4	-163.5	0	0	110.8	T275 G277 Y278 I279	E181-T275 HydrophobicContact CG-CG2 4.13Å; E181-T275 WeakPolarHBondContact OE1-CB 3.13Å; E181-T275 WeakPolarHBondContact OE1-CG2 3.4Å; E181-T275 PolarHBondContact OE1-OG1 2.92Å; E181-G277 PolarHBondContact N-O 3.09Å; E181-Y278 HydrophobicContact CB-CD1 3.59Å; E181-Y278 HydrophobicContact CB-CE1 3.64Å; E181-Y278 HydrophobicContact CB-CG 4.42Å; E181-Y278 HydrophobicContact CG-CE1 4.44Å; E181-Y278 CarbonylContact O-C 3.59Å; E181-Y278 WeakPolarHBondContact O-CA 3.41Å; E181-Y278 WeakPolarHBondContact OE2-CE1 3.42Å; E181-I279 PolarHBondContact O-N 3Å
182	S	91.4	Very high	94	Very high	21 Å²	21	23.8 Å²	23.8	15%	0.147	13%	0.13	C	C	.	.			trans	-130.1	171.9	174.5	77.2	0	0	0	0	111	Y186 R209 I279	S182-Y186 VanDerWaalsContact OG-C 3.3Å; S182-Y186 PolarHBondContact OG-O 3.07Å; S182-R209 PolarHBondContact O-NH2 3.3Å; S182-R209 PolarHBondContact OG-NH2 3.35Å; S182-I279 WeakPolarHBondContact CA-O 3.09Å; S182-I279 WeakPolarHBondContact CB-O 3.29Å
183	R	83.6	Confident	93.7	Very high	40 Å²	40	20.2 Å²	20.2	15%	0.151	11%	0.111	C	C	.	.	S	Bend	trans	-62.8	147.8	161.9	-171.9	175.3	177.2	-118.5	-8.6	110.3	V281 E429 A607 E610	R183-V281 HydrophobicContact CB-CG2 4.09Å; R183-E429 IonicContact CZ-OE1 3.21Å; R183-E429 VanDerWaalsContact CZ-OE1 3.25Å; R183-E429 IonicContact NE-OE1 2.67Å; R183-E429 PolarHBondContact NE-OE1 3Å; R183-E429 IonicContact NH2-OE1 3.72Å; R183-E429 PolarHBondContact NH2-OE1 2.86Å; R183-A607 PolarHBondContact NH1-O 2.89Å; R183-A607 PolarHBondContact NH2-O 2.64Å; R183-E610 IonicContact CZ-OE2 2.69Å; R183-E610 IonicContact NH1-OE2 3.85Å; R183-E610 PolarHBondContact NH1-OE2 3.38Å
184	G	81.4	Confident	93.3	Very high	41 Å²	41	19.6 Å²	19.6	42%	0.423	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	-143.7	175.7	0	0	0	0	0	114.4	R209	G184-R209 PolarHBondContact O-NH2 2.91Å
185	A	85.7	Confident	92.6	Very high	23 Å²	23	23.3 Å²	23.3	19%	0.19	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-2.2	-177.7	0	0	0	0	0	114.1	Y205	A185-Y205 WeakPolarHBondContact O-CE1 3.34Å; A185-Y205 PolarHBondContact O-OH 3.39Å
186	Y	89.9	Confident	91.7	Very high	66 Å²	66	28.6 Å²	28.6	26%	0.259	16%	0.164	S	C	.	.			trans	-61.9	153.9	178.5	-176.5	-102.7	0	0	0	111.7	S182 R209 H223 I279 V281 P282	S182-Y186 VanDerWaalsContact OG-C 3.3Å; S182-Y186 PolarHBondContact OG-O 3.07Å; Y186-R209 PolarHBondContact O-NE 3.09Å; Y186-R209 PolarHBondContact O-NH2 2.76Å; Y186-R209 VanDerWaalsContact O-NH2 3.15Å; Y186-H223 AromaticContact CZ-CE1 3.97Å; Y186-H223 PolarHBondContact OH-CE1 3.27Å; Y186-H223 VanDerWaalsContact OH-CE1 3.24Å; Y186-I279 HydrophobicContact CE1-CD1 4.09Å; Y186-I279 HydrophobicContact CE1-CG1 4.31Å; Y186-V281 HydrophobicContact CD1-CG2 4.47Å; Y186-V281 HydrophobicContact CG-CG1 4.34Å; Y186-P282 HydrophobicContact CE1-CG 3.95Å; Y186-P282 HydrophobicContact CE2-CG 3.75Å; Y186-P282 WeakPolarHBondContact OH-CD 3.36Å; Y186-P282 WeakPolarHBondContact OH-CG 3.22Å
187	S	92.2	Very high	90.9	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.021	16%	0.164	C	C	.	.			trans	-166.5	166.9	175.3	69.4	0	0	0	0	111.5	F189 Y205 H223	S187-F189 PolarHBondContact O-N 3.05Å; S187-F189 WeakPolarHBondContact OG-CD1 3.45Å; S187-F189 WeakPolarHBondContact OG-CE1 3.41Å; S187-F189 PolarHBondContact OG-O 2.85Å; S187-Y205 WeakPolarHBondContact OG-CE2 3.46Å; S187-Y205 PolarHBondContact OG-OH 3.02Å; S187-H223 PolarHBondContact O-NE2 3.13Å; S187-H223 VanDerWaalsContact O-NE2 3.15Å
188	N	96.9	Very high	90.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-83.7	26	-179.5	70.1	-42.4	0	0	0	115	P178 L180 H223 I279	P178-N188 PolarHBondContact O-ND2 3.24Å; L180-N188 PolarHBondContact N-OD1 3.32Å; N188-H223 VanDerWaalsContact C-CD2 3.46Å; N188-H223 VanDerWaalsContact CA-NE2 3.34Å; N188-H223 WeakPolarHBondContact CA-NE2 3.26Å; N188-H223 PolarHBondContact O-N 2.91Å; N188-I279 HydrophobicContact CB-CD1 4.23Å
189	F	96.9	Very high	89.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	155.5	179.3	74	-79.8	0	0	0	112.7	M179 S187 C191 Y205 I208 R209 V219 M221 V222 V270	M179-F189 HydrophobicContact CG-CD1 4.25Å; M179-F189 HydrophobicContact CG-CE1 3.84Å; M179-F189 HydrophobicContact SD-CE1 3.86Å; M179-F189 HydrophobicContact SD-CZ 4.37Å; S187-F189 PolarHBondContact O-N 3.05Å; S187-F189 WeakPolarHBondContact OG-CD1 3.45Å; S187-F189 WeakPolarHBondContact OG-CE1 3.41Å; S187-F189 PolarHBondContact OG-O 2.85Å; F189-C191 VanDerWaalsContact CE2-SG 3.53Å; F189-Y205 HydrophobicContact CE1-CE2 4.4Å; F189-Y205 AromaticContact CE2-CD2 3.88Å; F189-Y205 HydrophobicContact CE2-CD2 3.88Å; F189-Y205 AromaticContact CE2-CE2 3.98Å; F189-Y205 HydrophobicContact CE2-CE2 3.98Å; F189-Y205 HydrophobicContact CZ-CD2 4.07Å; F189-Y205 AromaticContact CZ-CE2 3.91Å; F189-Y205 HydrophobicContact CZ-CE2 3.91Å; F189-I208 HydrophobicContact CE2-CG2 3.95Å; F189-I208 HydrophobicContact CZ-CB 4.29Å; F189-I208 HydrophobicContact CZ-CG2 3.64Å; F189-R209 HydrophobicContact CZ-CB 4.42Å; F189-V219 HydrophobicContact CD2-CG1 3.93Å; F189-M221 WeakPolarHBondContact CA-O 3.43Å; F189-V222 HydrophobicContact CB-CG1 4.15Å; F189-V270 HydrophobicContact CB-CB 4.1Å; F189-V270 HydrophobicContact CB-CG1 4.43Å; F189-V270 HydrophobicContact CB-CG2 4.14Å; F189-V270 HydrophobicContact CD1-CB 4.45Å; F189-V270 HydrophobicContact CD1-CG1 4.46Å; F189-V270 HydrophobicContact CD1-CG2 3.8Å; F189-V270 HydrophobicContact CD2-CB 4.4Å; F189-V270 HydrophobicContact CD2-CG1 3.83Å; F189-V270 HydrophobicContact CE1-CG2 4.37Å; F189-V270 HydrophobicContact CE2-CG1 4.15Å; F189-V270 HydrophobicContact CG-CB 4.07Å; F189-V270 HydrophobicContact CG-CG1 3.99Å; F189-V270 HydrophobicContact CG-CG2 3.92Å
190	W	95.6	Very high	89.4	Confident	39 Å²	39	45.1 Å²	45.1	15%	0.148	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.6	171.8	-64.9	-4.8	0	0	0	111.1	G192 M193 G197 Y199 V219 P220 M221 I254 I255	W190-G192 VanDerWaalsContact C-N 3.35Å; W190-M193 HydrophobicContact CE3-CG 3.69Å; W190-M193 HydrophobicContact CE3-SD 4.29Å; W190-M193 HydrophobicContact CZ3-CE 4.3Å; W190-M193 HydrophobicContact CZ3-CG 4.16Å; W190-G197 WeakPolarHBondContact CZ3-O 3.47Å; W190-Y199 HydrophobicContact CB-CD2 3.93Å; W190-Y199 HydrophobicContact CB-CE2 4.34Å; W190-Y199 AromaticContact CD1-CD2 3.48Å; W190-Y199 VanDerWaalsContact CD1-CD2 3.48Å; W190-Y199 AromaticContact CD1-CE2 3.95Å; W190-Y199 AromaticContact CD2-CD2 3.68Å; W190-Y199 HydrophobicContact CD2-CD2 3.68Å; W190-Y199 HydrophobicContact CD2-CG 4.24Å; W190-Y199 AromaticContact CE2-CD2 3.93Å; W190-Y199 HydrophobicContact CE3-CD2 4.41Å; W190-Y199 AromaticContact CG-CD2 3.42Å; W190-Y199 HydrophobicContact CG-CD2 3.42Å; W190-Y199 VanDerWaalsContact CG-CD2 3.42Å; W190-Y199 HydrophobicContact CG-CE2 4.1Å; W190-Y199 HydrophobicContact CG-CG 4.41Å; W190-Y199 AromaticContact NE1-CD2 3.79Å; W190-V219 WeakPolarHBondContact O-CB 3.08Å; W190-P220 WeakPolarHBondContact O-CD 3.49Å; W190-M221 HydrophobicContact CB-CB 4.36Å; W190-M221 HydrophobicContact CB-CE 4.06Å; W190-M221 HydrophobicContact CD2-CE 3.11Å; W190-M221 HydrophobicContact CE3-CB 4.44Å; W190-M221 HydrophobicContact CE3-CE 3.71Å; W190-M221 HydrophobicContact CG-CE 3.25Å; W190-M221 HydrophobicContact CH2-CE 4.32Å; W190-M221 HydrophobicContact CZ2-CE 3.82Å; W190-M221 HydrophobicContact CZ3-CE 4.27Å; W190-M221 PolarHBondContact N-O 2.96Å; W190-M221 VanDerWaalsContact NE1-CE 3.28Å; W190-I254 HydrophobicContact CH2-CD1 4.44Å; W190-I254 HydrophobicContact CZ2-CD1 4.04Å; W190-I255 HydrophobicContact CH2-CD1 4.29Å; W190-I255 HydrophobicContact CH2-CG1 4.19Å; W190-I255 HydrophobicContact CZ3-CG1 4.38Å
191	C	93.3	Very high	89	Confident	21 Å²	21	51.4 Å²	51.4	14%	0.142	25%	0.251	C	S	.	.	S	Bend	trans	-86	-4.1	173.9	-81	0	0	0	0	114.4	F189 T202 Y205	F189-C191 VanDerWaalsContact CE2-SG 3.53Å; C191-T202 HydrophobicContact CB-CG2 4.18Å; C191-T202 WeakPolarHBondContact CB-OG1 3.37Å; C191-T202 VanDerWaalsContact O-CG2 3.31Å; C191-T202 WeakPolarHBondContact O-CG2 3.21Å; C191-Y205 HydrophobicContact CB-CD2 4.21Å; C191-Y205 VanDerWaalsContact SG-CA 3.59Å
192	G	91.2	Very high	88.9	Confident	4 Å²	4	50.6 Å²	50.6	4%	0.041	25%	0.25	C	C	.	.			trans	-165.4	151.6	-177.1	0	0	0	0	0	110.7	W190 R200	W190-G192 VanDerWaalsContact C-N 3.35Å; G192-R200 CarbonylContact C-O 3.52Å; G192-R200 VanDerWaalsContact CA-O 3.29Å; G192-R200 WeakPolarHBondContact CA-O 3.48Å; G192-R200 PolarHBondContact N-O 2.94Å; G192-R200 PolarHBondContact O-N 3.22Å
193	M	90.1	Very high	89	Confident	28 Å²	28	55.8 Å²	55.8	14%	0.138	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-129.4	152	172.1	-74.5	167.4	84.7	0	0	109.8	W190 G197 Y198 P220 M221 W249 I255 A258	W190-M193 HydrophobicContact CE3-CG 3.69Å; W190-M193 HydrophobicContact CE3-SD 4.29Å; W190-M193 HydrophobicContact CZ3-CE 4.3Å; W190-M193 HydrophobicContact CZ3-CG 4.16Å; M193-G197 WeakPolarHBondContact CE-O 3.43Å; M193-Y198 CarbonylContact C-O 3.39Å; M193-Y198 WeakPolarHBondContact CA-O 3.45Å; M193-P220 HydrophobicContact CG-CB 4.13Å; M193-P220 HydrophobicContact CG-CG 4.1Å; M193-P220 HydrophobicContact SD-CB 3.69Å; M193-P220 HydrophobicContact SD-CG 4.21Å; M193-M221 HydrophobicContact SD-CB 4.03Å; M193-W249 HydrophobicContact CE-CZ3 3.99Å; M193-I255 HydrophobicContact CE-CG2 4.37Å; M193-A258 HydrophobicContact CE-CB 4.25Å
194	T	89.2	Confident	89.5	Confident	55 Å²	55	55.7 Å²	55.7	34%	0.337	29%	0.29	S	S	.	.			trans	-78.5	172.4	169.6	69.1	0	0	0	0	110.3	Q196 G197 Y198 R200	T194-Q196 PolarHBondContact O-N 3.04Å; T194-Q196 PolarHBondContact OG1-N 2.94Å; T194-G197 PolarHBondContact O-N 3.4Å; T194-Y198 PolarHBondContact N-O 3.31Å; T194-Y198 PolarHBondContact OG1-N 2.73Å; T194-R200 HydrophobicContact CG2-CB 4.24Å
195	S	84.1	Confident	90.1	Very high	102 Å²	102	54 Å²	54	71%	0.713	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.4	174.3	50.2	0	0	0	0	113.9	W249	S195-W249 PolarHBondContact O-NE1 2.73Å
196	Q	80.9	Confident	90.5	Very high	111 Å²	111	56.5 Å²	56.5	52%	0.519	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	10.6	177.2	-59.6	-60.5	-24.5	0	0	112.4	T194 Y198	T194-Q196 PolarHBondContact O-N 3.04Å; T194-Q196 PolarHBondContact OG1-N 2.94Å; Q196-Y198 HydrophobicContact CB-CD2 4.08Å; Q196-Y198 PolarHBondContact O-N 2.79Å
197	G	82	Confident	90.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	82.2	3.8	176.5	0	0	0	0	0	115.9	W190 M193 T194 W249	W190-G197 WeakPolarHBondContact CZ3-O 3.47Å; M193-G197 WeakPolarHBondContact CE-O 3.43Å; T194-G197 PolarHBondContact O-N 3.4Å; G197-W249 VanDerWaalsContact CA-CE3 3.48Å
198	Y	86.5	Confident	90.9	Very high	130 Å²	130	55.8 Å²	55.8	51%	0.51	28%	0.284	S	S	.	.			trans	-85.5	158.1	-178.9	-76	-82.8	0	0	0	113.6	M193 T194 Q196 R200 A250	M193-Y198 CarbonylContact C-O 3.39Å; M193-Y198 WeakPolarHBondContact CA-O 3.45Å; T194-Y198 PolarHBondContact N-O 3.31Å; T194-Y198 PolarHBondContact OG1-N 2.73Å; Q196-Y198 HydrophobicContact CB-CD2 4.08Å; Q196-Y198 PolarHBondContact O-N 2.79Å; Y198-R200 PolarHBondContact O-N 3.01Å; Y198-A250 HydrophobicContact CE1-CB 4.25Å; Y198-A250 HydrophobicContact CE2-CB 4.05Å; Y198-A250 WeakPolarHBondContact OH-CB 3.32Å
199	Y	86.9	Confident	90.7	Very high	78 Å²	78	57 Å²	57	31%	0.306	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-49.6	133.1	175.8	175.3	-110	0	0	0	112.4	W190 R201	W190-Y199 HydrophobicContact CB-CD2 3.93Å; W190-Y199 HydrophobicContact CB-CE2 4.34Å; W190-Y199 AromaticContact CD1-CD2 3.48Å; W190-Y199 VanDerWaalsContact CD1-CD2 3.48Å; W190-Y199 AromaticContact CD1-CE2 3.95Å; W190-Y199 AromaticContact CD2-CD2 3.68Å; W190-Y199 HydrophobicContact CD2-CD2 3.68Å; W190-Y199 HydrophobicContact CD2-CG 4.24Å; W190-Y199 AromaticContact CE2-CD2 3.93Å; W190-Y199 HydrophobicContact CE3-CD2 4.41Å; W190-Y199 AromaticContact CG-CD2 3.42Å; W190-Y199 HydrophobicContact CG-CD2 3.42Å; W190-Y199 VanDerWaalsContact CG-CD2 3.42Å; W190-Y199 HydrophobicContact CG-CE2 4.1Å; W190-Y199 HydrophobicContact CG-CG 4.41Å; W190-Y199 AromaticContact NE1-CD2 3.79Å; Y199-R201 HydrophobicContact CE1-CB 3.92Å; Y199-R201 WeakPolarHBondContact OH-CB 3.25Å; Y199-R201 PolarHBondContact OH-NE 3.42Å
200	R	89.6	Confident	90.4	Very high	141 Å²	141	64.3 Å²	64.3	53%	0.532	32%	0.321	S	S	.	.			trans	-132	114.5	169.1	-169.9	-177.1	75.8	-178.6	1.2	109.9	G192 T194 Y198	G192-R200 CarbonylContact C-O 3.52Å; G192-R200 VanDerWaalsContact CA-O 3.29Å; G192-R200 WeakPolarHBondContact CA-O 3.48Å; G192-R200 PolarHBondContact N-O 2.94Å; G192-R200 PolarHBondContact O-N 3.22Å; T194-R200 HydrophobicContact CG2-CB 4.24Å; Y198-R200 PolarHBondContact O-N 3.01Å
201	R	87.6	Confident	90.3	Very high	132 Å²	132	64 Å²	64	50%	0.498	32%	0.321	S	S	.	.			trans	-64	136.3	173.3	-172.7	164.9	-74.2	-155.8	2.6	110.4	Y199	Y199-R201 HydrophobicContact CE1-CB 3.92Å; Y199-R201 WeakPolarHBondContact OH-CB 3.25Å; Y199-R201 PolarHBondContact OH-NE 3.42Å
202	T	92.3	Very high	90.3	Very high	27 Å²	27	68.6 Å²	68.6	17%	0.166	35%	0.348	C	S	.	.			trans	-124.2	160.6	176.3	76.6	0	0	0	0	110.6	C191 A204 Y205	C191-T202 HydrophobicContact CB-CG2 4.18Å; C191-T202 WeakPolarHBondContact CB-OG1 3.37Å; C191-T202 VanDerWaalsContact O-CG2 3.31Å; C191-T202 WeakPolarHBondContact O-CG2 3.21Å; T202-A204 PolarHBondContact O-N 2.89Å; T202-A204 VanDerWaalsContact O-N 3.08Å; T202-A204 PolarHBondContact OG1-N 3.21Å; T202-Y205 VanDerWaalsContact O-CB 3.31Å; T202-Y205 WeakPolarHBondContact O-CB 3.34Å; T202-Y205 PolarHBondContact O-N 3.46Å
203	P	93.9	Very high	90.5	Very high	130 Å²	130	75.6 Å²	75.6	84%	0.844	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.2	177	-26.2	35.6	0	0	0	114.2	Y205 P207	P203-Y205 VanDerWaalsContact C-N 3.33Å; P203-P207 WeakPolarHBondContact O-CD 3.31Å
204	A	92.9	Very high	90.9	Very high	38 Å²	38	80.2 Å²	80.2	31%	0.314	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-20.3	177.9	0	0	0	0	0	113.4	T202 P207 I208	T202-A204 PolarHBondContact O-N 2.89Å; T202-A204 VanDerWaalsContact O-N 3.08Å; T202-A204 PolarHBondContact OG1-N 3.21Å; A204-P207 WeakPolarHBondContact O-CD 3.25Å; A204-I208 HydrophobicContact CB-CD1 4.22Å; A204-I208 WeakPolarHBondContact O-CD1 3.45Å; A204-I208 VanDerWaalsContact O-CG1 3.27Å; A204-I208 WeakPolarHBondContact O-CG1 3.46Å; A204-I208 PolarHBondContact O-N 2.77Å
205	Y	94.3	Very high	91.2	Very high	7 Å²	7	77.9 Å²	77.9	3%	0.027	38%	0.38	C	S	.	.	H	α-helix	trans	-61.6	-56.1	-171.6	-176.7	-102.4	0	0	0	112.9	A185 S187 F189 C191 T202 P203 I208 R209	A185-Y205 WeakPolarHBondContact O-CE1 3.34Å; A185-Y205 PolarHBondContact O-OH 3.39Å; S187-Y205 WeakPolarHBondContact OG-CE2 3.46Å; S187-Y205 PolarHBondContact OG-OH 3.02Å; F189-Y205 HydrophobicContact CE1-CE2 4.4Å; F189-Y205 AromaticContact CE2-CD2 3.88Å; F189-Y205 HydrophobicContact CE2-CD2 3.88Å; F189-Y205 AromaticContact CE2-CE2 3.98Å; F189-Y205 HydrophobicContact CE2-CE2 3.98Å; F189-Y205 HydrophobicContact CZ-CD2 4.07Å; F189-Y205 AromaticContact CZ-CE2 3.91Å; F189-Y205 HydrophobicContact CZ-CE2 3.91Å; C191-Y205 HydrophobicContact CB-CD2 4.21Å; C191-Y205 VanDerWaalsContact SG-CA 3.59Å; T202-Y205 VanDerWaalsContact O-CB 3.31Å; T202-Y205 WeakPolarHBondContact O-CB 3.34Å; T202-Y205 PolarHBondContact O-N 3.46Å; P203-Y205 VanDerWaalsContact C-N 3.33Å; Y205-I208 PolarHBondContact O-N 3.46Å; Y205-R209 HydrophobicContact CE1-CB 4.43Å; Y205-R209 VanDerWaalsContact O-CB 3.28Å; Y205-R209 WeakPolarHBondContact O-CB 3.45Å; Y205-R209 PolarHBondContact O-N 2.89Å
206	L	93.1	Very high	91.9	Very high	75 Å²	75	74.4 Å²	74.4	39%	0.393	36%	0.355	S	S	.	.	H	α-helix	trans	-63.3	-43.9	-176.7	-69.4	174	0	0	0	113	I208 R209 K210	L206-I208 VanDerWaalsContact C-N 3.31Å; L206-I208 PolarHBondContact O-N 2.95Å; L206-R209 PolarHBondContact O-N 3.38Å; L206-K210 WeakPolarHBondContact O-CB 3.22Å; L206-K210 WeakPolarHBondContact O-CG 3.33Å; L206-K210 PolarHBondContact O-N 3.49Å
207	P	95.1	Very high	92.7	Very high	49 Å²	49	70.2 Å²	70.2	32%	0.318	34%	0.335	S	S	.	.	H	α-helix	trans	-59.8	-37	174.7	-27.3	35.3	0	0	0	114.3	P203 A204 V212 R213	P203-P207 WeakPolarHBondContact O-CD 3.31Å; A204-P207 WeakPolarHBondContact O-CD 3.25Å; P207-V212 HydrophobicContact CB-CB 4.5Å; P207-V212 PolarHBondContact O-N 3.4Å; P207-R213 HydrophobicContact CB-CB 4.3Å; P207-R213 PolarHBondContact O-N 2.97Å
208	I	95.5	Very high	93.5	Very high	5 Å²	5	73.2 Å²	73.2	3%	0.026	36%	0.36	C	S	.	.	H	α-helix	trans	-71.6	-50.4	175.7	-66.5	169.4	0	0	0	109.6	M179 F189 A204 Y205 L206 K210 Q211 F217 V270 N272	M179-I208 HydrophobicContact SD-CG2 4.35Å; F189-I208 HydrophobicContact CE2-CG2 3.95Å; F189-I208 HydrophobicContact CZ-CB 4.29Å; F189-I208 HydrophobicContact CZ-CG2 3.64Å; A204-I208 HydrophobicContact CB-CD1 4.22Å; A204-I208 WeakPolarHBondContact O-CD1 3.45Å; A204-I208 VanDerWaalsContact O-CG1 3.27Å; A204-I208 WeakPolarHBondContact O-CG1 3.46Å; A204-I208 PolarHBondContact O-N 2.77Å; Y205-I208 PolarHBondContact O-N 3.46Å; L206-I208 VanDerWaalsContact C-N 3.31Å; L206-I208 PolarHBondContact O-N 2.95Å; I208-K210 PolarHBondContact O-N 2.83Å; I208-Q211 PolarHBondContact O-N 2.78Å; I208-F217 HydrophobicContact CB-CD2 4.38Å; I208-F217 HydrophobicContact CB-CE2 4.4Å; I208-F217 HydrophobicContact CD1-CB 3.97Å; I208-F217 HydrophobicContact CD1-CD1 4Å; I208-F217 HydrophobicContact CD1-CD2 3.8Å; I208-F217 HydrophobicContact CD1-CE2 4.3Å; I208-F217 HydrophobicContact CD1-CG 3.62Å; I208-F217 HydrophobicContact CG1-CD1 4.35Å; I208-F217 HydrophobicContact CG1-CD2 3.79Å; I208-F217 HydrophobicContact CG1-CE1 4.4Å; I208-F217 HydrophobicContact CG1-CE2 3.81Å; I208-F217 HydrophobicContact CG1-CG 4.06Å; I208-F217 HydrophobicContact CG1-CZ 4.14Å; I208-F217 HydrophobicContact CG2-CD2 3.69Å; I208-F217 HydrophobicContact CG2-CE2 3.94Å; I208-V270 HydrophobicContact CG2-CG1 4.41Å; I208-N272 PolarHBondContact O-ND2 3.09Å
209	R	93.3	Very high	94	Very high	25 Å²	25	67.1 Å²	67.1	9%	0.094	34%	0.336	C	S	.	.	H	α-helix	trans	-62.2	-38.2	-176.7	177.9	54.3	177.6	80.1	5.4	113.7	M179 S182 G184 Y186 F189 Y205 L206 Q211	M179-R209 WeakPolarHBondContact CE-O 3.48Å; S182-R209 PolarHBondContact O-NH2 3.3Å; S182-R209 PolarHBondContact OG-NH2 3.35Å; G184-R209 PolarHBondContact O-NH2 2.91Å; Y186-R209 PolarHBondContact O-NE 3.09Å; Y186-R209 PolarHBondContact O-NH2 2.76Å; Y186-R209 VanDerWaalsContact O-NH2 3.15Å; F189-R209 HydrophobicContact CZ-CB 4.42Å; Y205-R209 HydrophobicContact CE1-CB 4.43Å; Y205-R209 VanDerWaalsContact O-CB 3.28Å; Y205-R209 WeakPolarHBondContact O-CB 3.45Å; Y205-R209 PolarHBondContact O-N 2.89Å; L206-R209 PolarHBondContact O-N 3.38Å; R209-Q211 PolarHBondContact O-N 3.04Å
210	K	91.3	Very high	94.5	Very high	153 Å²	153	65.8 Å²	65.8	67%	0.665	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	6.4	176.3	-65.9	-173.2	174.7	-172.4	0	113.1	L206 I208 V212	L206-K210 WeakPolarHBondContact O-CB 3.22Å; L206-K210 WeakPolarHBondContact O-CG 3.33Å; L206-K210 PolarHBondContact O-N 3.49Å; I208-K210 PolarHBondContact O-N 2.83Å; K210-V212 HydrophobicContact CB-CG2 4Å; K210-V212 PolarHBondContact O-N 3.1Å
211	Q	92.9	Very high	94.7	Very high	33 Å²	33	59 Å²	59	15%	0.154	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	24.9	-174.7	-59.1	-173.9	-5.8	0	0	114.6	M179 I208 R209 R213 K214 N272 E274 T275	M179-Q211 HydrophobicContact CE-CG 3.56Å; I208-Q211 PolarHBondContact O-N 2.78Å; R209-Q211 PolarHBondContact O-N 3.04Å; Q211-R213 VanDerWaalsContact C-N 3.32Å; Q211-K214 HydrophobicContact CB-CG 4.33Å; Q211-K214 WeakPolarHBondContact O-CG 3.36Å; Q211-N272 HydrophobicContact CG-CB 4.41Å; Q211-E274 PolarHBondContact NE2-O 3.03Å; Q211-T275 PolarHBondContact NE2-OG1 3.33Å
212	V	94.3	Very high	95.2	Very high	117 Å²	117	52.9 Å²	52.9	71%	0.709	29%	0.289	S	S	*	.	S	Bend	trans	-67.3	-40.9	171.8	177	0	0	0	0	109.2	P207 K210	P207-V212 HydrophobicContact CB-CB 4.5Å; P207-V212 PolarHBondContact O-N 3.4Å; K210-V212 HydrophobicContact CB-CG2 4Å; K210-V212 PolarHBondContact O-N 3.1Å
213	R	95	Very high	95.5	Very high	152 Å²	152	52.1 Å²	52.1	57%	0.574	28%	0.283	S	S	*	.	S	Bend	trans	-106.5	107.9	170.4	-167.1	-173.8	178.2	-177.2	-3.5	109	P207 Q211 F217 N272	P207-R213 HydrophobicContact CB-CB 4.3Å; P207-R213 PolarHBondContact O-N 2.97Å; Q211-R213 VanDerWaalsContact C-N 3.32Å; R213-F217 HydrophobicContact CB-CZ 4.32Å; R213-F217 HydrophobicContact CG-CE1 3.99Å; R213-F217 HydrophobicContact CG-CZ 3.8Å; R213-F217 WeakPolarHBondContact O-CE2 3.46Å; R213-F217 WeakPolarHBondContact O-CZ 3.32Å; R213-N272 PolarHBondContact O-ND2 3.48Å
214	K	97.1	Very high	95.6	Very high	124 Å²	124	46.5 Å²	46.5	54%	0.539	25%	0.247	S	C	.	.			trans	-93.1	139.4	179.5	-66	-173.1	171.8	-169.1	0	112.2	Q211 N272	Q211-K214 HydrophobicContact CB-CG 4.33Å; Q211-K214 WeakPolarHBondContact O-CG 3.36Å; K214-N272 VanDerWaalsContact CA-OD1 3.29Å; K214-N272 WeakPolarHBondContact CA-OD1 3.49Å
215	G	97.6	Very high	95.9	Very high	7 Å²	7	44.7 Å²	44.7	7%	0.072	23%	0.232	C	C	.	.	S	Bend	trans	159.3	-161.4	179	0	0	0	0	0	114.1	C271 N272	G215-C271 WeakPolarHBondContact O-CA 3.42Å; G215-N272 PolarHBondContact N-OD1 3.29Å; G215-N272 PolarHBondContact O-N 2.9Å; G215-N272 PolarHBondContact O-OD1 3.43Å
216	C	97.9	Very high	96.1	Very high	29 Å²	29	44.5 Å²	44.5	20%	0.196	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.9	169.3	-66	0	0	0	0	108.4	E171 V270 C271	E171-C216 VanDerWaalsContact CG-SG 3.55Å; E171-C216 PolarHBondContact OE2-SG 3.14Å; C216-V270 CarbonylContact C-O 3.57Å; C216-V270 VanDerWaalsContact CA-O 3.32Å; C216-V270 WeakPolarHBondContact CA-O 3.45Å; C216-C271 PolarHBondContact SG-SG 3.25Å
217	F	98.3	Very high	96.3	Very high	23 Å²	23	41 Å²	41	10%	0.101	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.1	-172.2	-54.8	-75.5	0	0	0	110.4	I208 R213 V219 F269 V270 N272	I208-F217 HydrophobicContact CB-CD2 4.38Å; I208-F217 HydrophobicContact CB-CE2 4.4Å; I208-F217 HydrophobicContact CD1-CB 3.97Å; I208-F217 HydrophobicContact CD1-CD1 4Å; I208-F217 HydrophobicContact CD1-CD2 3.8Å; I208-F217 HydrophobicContact CD1-CE2 4.3Å; I208-F217 HydrophobicContact CD1-CG 3.62Å; I208-F217 HydrophobicContact CG1-CD1 4.35Å; I208-F217 HydrophobicContact CG1-CD2 3.79Å; I208-F217 HydrophobicContact CG1-CE1 4.4Å; I208-F217 HydrophobicContact CG1-CE2 3.81Å; I208-F217 HydrophobicContact CG1-CG 4.06Å; I208-F217 HydrophobicContact CG1-CZ 4.14Å; I208-F217 HydrophobicContact CG2-CD2 3.69Å; I208-F217 HydrophobicContact CG2-CE2 3.94Å; R213-F217 HydrophobicContact CB-CZ 4.32Å; R213-F217 HydrophobicContact CG-CE1 3.99Å; R213-F217 HydrophobicContact CG-CZ 3.8Å; R213-F217 WeakPolarHBondContact O-CE2 3.46Å; R213-F217 WeakPolarHBondContact O-CZ 3.32Å; F217-V219 PolarHBondContact O-N 3.37Å; F217-F269 CarbonylContact O-C 3.5Å; F217-F269 VanDerWaalsContact O-CA 3.23Å; F217-F269 WeakPolarHBondContact O-CA 3.41Å; F217-V270 HydrophobicContact CB-CG1 4.19Å; F217-V270 HydrophobicContact CD2-CG1 4.48Å; F217-V270 PolarHBondContact N-O 3.02Å; F217-V270 PolarHBondContact O-N 3.29Å; F217-N272 VanDerWaalsContact CE2-OD1 3.28Å; F217-N272 WeakPolarHBondContact CE2-OD1 3.33Å
218	A	98.2	Very high	96.5	Very high	62 Å²	62	38.7 Å²	38.7	51%	0.512	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	127.4	167.2	0	0	0	0	0	108.6	Q267 F269	A218-Q267 HydrophobicContact CB-CG 3.86Å; A218-F269 HydrophobicContact CB-CD1 4.32Å; A218-F269 HydrophobicContact CB-CE1 3.93Å; A218-F269 HydrophobicContact CB-CZ 4.46Å
219	V	97.6	Very high	96.7	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	144.3	-178.6	-72.3	0	0	0	0	109.4	F189 W190 F217 M221 V222 Q267 M268 V270	F189-V219 HydrophobicContact CD2-CG1 3.93Å; W190-V219 WeakPolarHBondContact O-CB 3.08Å; F217-V219 PolarHBondContact O-N 3.37Å; V219-M221 PolarHBondContact O-N 3.02Å; V219-V222 HydrophobicContact CG2-CG1 3.55Å; V219-Q267 PolarHBondContact O-NE2 2.97Å; V219-M268 PolarHBondContact N-O 3.17Å; V219-M268 VanDerWaalsContact O-O 3.14Å; V219-V270 HydrophobicContact CG1-CG1 3.68Å; V219-V270 HydrophobicContact CG2-CB 4.18Å; V219-V270 HydrophobicContact CG2-CG1 4.16Å
220	P	95.9	Very high	96.9	Very high	49 Å²	49	38.5 Å²	38.5	32%	0.318	20%	0.199	S	C	.	.	S	Bend	trans	-68.6	-16.7	-179.7	29.9	-40.3	0	0	0	113.7	W190 M193 M268	W190-P220 WeakPolarHBondContact O-CD 3.49Å; M193-P220 HydrophobicContact CG-CB 4.13Å; M193-P220 HydrophobicContact CG-CG 4.1Å; M193-P220 HydrophobicContact SD-CB 3.69Å; M193-P220 HydrophobicContact SD-CG 4.21Å; P220-M268 WeakPolarHBondContact O-CE 3.46Å
221	M	95.3	Very high	97.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	138.3	179.2	-169.6	-81.1	-67.3	0	0	111.9	F189 W190 M193 V219 H223 I254 A258	F189-M221 WeakPolarHBondContact CA-O 3.43Å; W190-M221 HydrophobicContact CB-CB 4.36Å; W190-M221 HydrophobicContact CB-CE 4.06Å; W190-M221 HydrophobicContact CD2-CE 3.11Å; W190-M221 HydrophobicContact CE3-CB 4.44Å; W190-M221 HydrophobicContact CE3-CE 3.71Å; W190-M221 HydrophobicContact CG-CE 3.25Å; W190-M221 HydrophobicContact CH2-CE 4.32Å; W190-M221 HydrophobicContact CZ2-CE 3.82Å; W190-M221 HydrophobicContact CZ3-CE 4.27Å; W190-M221 PolarHBondContact N-O 2.96Å; W190-M221 VanDerWaalsContact NE1-CE 3.28Å; M193-M221 HydrophobicContact SD-CB 4.03Å; V219-M221 PolarHBondContact O-N 3.02Å; M221-H223 VanDerWaalsContact CE-CD2 3.43Å; M221-H223 WeakPolarHBondContact CE-CD2 3.35Å; M221-H223 HydrophobicContact SD-CB 3.74Å; M221-H223 PolarHBondContact SD-CD2 3.4Å; M221-I254 HydrophobicContact CE-CD1 3.7Å; M221-I254 HydrophobicContact SD-CB 4.31Å; M221-I254 HydrophobicContact SD-CD1 4.14Å; M221-A258 HydrophobicContact CB-CB 4.17Å; M221-A258 HydrophobicContact CG-CB 3.85Å
222	V	98.1	Very high	97.4	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.6	163.4	-61.1	0	0	0	0	109.3	I175 A177 F189 V219 F226 M268 V270	I175-V222 HydrophobicContact CG2-CG2 3.9Å; A177-V222 HydrophobicContact CB-CB 3.64Å; A177-V222 HydrophobicContact CB-CG1 3.71Å; A177-V222 HydrophobicContact CB-CG2 4.05Å; F189-V222 HydrophobicContact CB-CG1 4.15Å; V219-V222 HydrophobicContact CG2-CG1 3.55Å; V222-F226 HydrophobicContact CG2-CB 3.96Å; V222-F226 HydrophobicContact CG2-CD1 4.41Å; V222-F226 HydrophobicContact CG2-CG 4.13Å; V222-M268 HydrophobicContact CG1-CB 4.48Å; V222-M268 HydrophobicContact CG2-CB 4.27Å; V222-M268 HydrophobicContact CG2-CG 4.37Å; V222-M268 HydrophobicContact CG2-SD 4.02Å; V222-V270 HydrophobicContact CG1-CB 4.35Å
223	H	97	Very high	97.5	Very high	11 Å²	11	42.5 Å²	42.5	5%	0.051	20%	0.197	C	C	.	.			trans	-143.1	-179.3	-179.7	64.3	91.7	0	0	0	112	Y186 S187 N188 M221 T225 I254	Y186-H223 AromaticContact CZ-CE1 3.97Å; Y186-H223 PolarHBondContact OH-CE1 3.27Å; Y186-H223 VanDerWaalsContact OH-CE1 3.24Å; S187-H223 PolarHBondContact O-NE2 3.13Å; S187-H223 VanDerWaalsContact O-NE2 3.15Å; N188-H223 VanDerWaalsContact C-CD2 3.46Å; N188-H223 VanDerWaalsContact CA-NE2 3.34Å; N188-H223 WeakPolarHBondContact CA-NE2 3.26Å; N188-H223 PolarHBondContact O-N 2.91Å; M221-H223 VanDerWaalsContact CE-CD2 3.43Å; M221-H223 WeakPolarHBondContact CE-CD2 3.35Å; M221-H223 HydrophobicContact SD-CB 3.74Å; M221-H223 PolarHBondContact SD-CD2 3.4Å; H223-T225 PolarHBondContact O-N 2.85Å; H223-I254 HydrophobicContact CB-CB 4.1Å; H223-I254 HydrophobicContact CB-CD1 4.35Å; H223-I254 HydrophobicContact CB-CG2 3.53Å
224	S	96.8	Very high	97.4	Very high	11 Å²	11	36.8 Å²	36.8	8%	0.077	18%	0.182	C	C	.	.	S	Bend	trans	63.5	-60	175.5	-63.7	0	0	0	0	116.7	D154	D154-S224 PolarHBondContact N-O 2.77Å; D154-S224 WeakPolarHBondContact OD2-CA 3.38Å; D154-S224 WeakPolarHBondContact OD2-CB 3.2Å; D154-S224 PolarHBondContact OD2-OG 2.75Å
225	T	98.3	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.2	171.3	-63.4	0	0	0	0	110.9	M151 L152 V153 N157 L159 A177 P178 H223	M151-T225 HydrophobicContact CE-CG2 3.38Å; L152-T225 VanDerWaalsContact O-CA 3.27Å; L152-T225 WeakPolarHBondContact O-CA 3.41Å; V153-T225 HydrophobicContact CG1-CG2 4.2Å; V153-T225 HydrophobicContact CG2-CG2 4.31Å; N157-T225 WeakPolarHBondContact CB-OG1 2.84Å; N157-T225 PolarHBondContact ND2-OG1 2.95Å; L159-T225 HydrophobicContact CD2-CG2 4.18Å; A177-T225 WeakPolarHBondContact CB-O 3.33Å; P178-T225 WeakPolarHBondContact CD-O 3.27Å; P178-T225 HydrophobicContact CG-CG2 3.95Å; H223-T225 PolarHBondContact O-N 2.85Å
226	F	98.7	Very high	97.3	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	156	173.9	61.9	-87.7	0	0	0	112.8	M151 L152 I175 I176 A177 V222 M228 F240 F257	M151-F226 WeakPolarHBondContact CA-O 3.25Å; L152-F226 HydrophobicContact CB-CE1 4.24Å; L152-F226 HydrophobicContact CB-CZ 4.37Å; L152-F226 HydrophobicContact CD1-CE1 3.92Å; L152-F226 HydrophobicContact CD1-CE2 3.86Å; L152-F226 HydrophobicContact CD1-CZ 3.35Å; L152-F226 HydrophobicContact CG-CZ 4.45Å; L152-F226 PolarHBondContact N-O 3.34Å; L152-F226 PolarHBondContact O-N 3.06Å; L152-F226 VanDerWaalsContact O-N 3.12Å; I175-F226 HydrophobicContact CG2-CD2 3.81Å; I175-F226 HydrophobicContact CG2-CE2 4.33Å; I175-F226 HydrophobicContact CG2-CG 4.48Å; I176-F226 WeakPolarHBondContact O-CA 3.39Å; A177-F226 HydrophobicContact CB-CB 3.93Å; V222-F226 HydrophobicContact CG2-CB 3.96Å; V222-F226 HydrophobicContact CG2-CD1 4.41Å; V222-F226 HydrophobicContact CG2-CG 4.13Å; F226-M228 HydrophobicContact CD2-CG 3.92Å; F226-M228 HydrophobicContact CE2-CG 3.77Å; F226-M228 HydrophobicContact CE2-SD 3.79Å; F226-F240 HydrophobicContact CE2-CZ 4.36Å; F226-F240 HydrophobicContact CZ-CE1 4.08Å; F226-F240 AromaticContact CZ-CZ 3.94Å; F226-F240 HydrophobicContact CZ-CZ 3.94Å; F226-F257 AromaticContact CE2-CE1 3.62Å; F226-F257 HydrophobicContact CE2-CE1 3.62Å; F226-F257 HydrophobicContact CE2-CZ 4.03Å; F226-F257 HydrophobicContact CZ-CD1 4.06Å; F226-F257 AromaticContact CZ-CE1 3.59Å; F226-F257 HydrophobicContact CZ-CE1 3.59Å; F226-F257 HydrophobicContact CZ-CZ 4.24Å
227	L	98.8	Very high	97.2	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	133.8	179.1	-174	72.8	0	0	0	110.2	Y149 L150 M151 L165 L168 M169 I175 I176	Y149-L227 HydrophobicContact CD1-CD1 4.15Å; Y149-L227 HydrophobicContact CD1-CD2 3.89Å; Y149-L227 HydrophobicContact CD1-CG 3.94Å; Y149-L227 HydrophobicContact CE1-CD2 4.2Å; Y149-L227 HydrophobicContact CG-CD1 4.34Å; L150-L227 CarbonylContact O-C 3.46Å; M151-L227 HydrophobicContact CB-CD1 3.8Å; M151-L227 HydrophobicContact CG-CD1 4.28Å; L165-L227 HydrophobicContact CD2-CD1 3.99Å; L168-L227 HydrophobicContact CB-CD2 3.75Å; L168-L227 HydrophobicContact CD1-CB 4.1Å; M169-L227 HydrophobicContact CE-CD2 4.48Å; M169-L227 HydrophobicContact CG-CD2 3.8Å; I175-L227 WeakPolarHBondContact CA-O 3.46Å; I176-L227 HydrophobicContact CG2-CB 4.14Å; I176-L227 PolarHBondContact N-O 2.89Å; I176-L227 PolarHBondContact O-N 2.81Å
228	M	98.7	Very high	97.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.8	174.1	-62.7	178.6	53.6	0	0	110.6	L139 Y149 L150 T174 I175 F226 L230 L238 F240 F257	L139-M228 HydrophobicContact CD1-CE 3.9Å; Y149-M228 VanDerWaalsContact CA-O 3.22Å; Y149-M228 WeakPolarHBondContact CA-O 3.34Å; Y149-M228 WeakPolarHBondContact CD1-O 3.34Å; L150-M228 HydrophobicContact CB-CB 4.4Å; L150-M228 HydrophobicContact CD2-SD 4.14Å; L150-M228 PolarHBondContact N-O 2.91Å; L150-M228 PolarHBondContact O-N 3.23Å; T174-M228 CarbonylContact O-C 3.27Å; T174-M228 VanDerWaalsContact O-CA 3.32Å; T174-M228 WeakPolarHBondContact O-CA 3.2Å; I175-M228 HydrophobicContact CG1-CG 4.31Å; F226-M228 HydrophobicContact CD2-CG 3.92Å; F226-M228 HydrophobicContact CE2-CG 3.77Å; F226-M228 HydrophobicContact CE2-SD 3.79Å; M228-L230 HydrophobicContact CB-CD2 4.31Å; M228-L230 HydrophobicContact CE-CD2 4.23Å; M228-L230 PolarHBondContact O-N 2.72Å; M228-L238 HydrophobicContact CE-CB 4.36Å; M228-L238 HydrophobicContact CE-CD1 3.5Å; M228-L238 VanDerWaalsContact CE-CD1 3.5Å; M228-F240 HydrophobicContact SD-CE2 4.33Å; M228-F240 HydrophobicContact SD-CZ 4.19Å; M228-F257 HydrophobicContact CE-CZ 4.28Å; M228-F257 HydrophobicContact SD-CZ 3.94Å
229	D	98.6	Very high	97.1	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	95.6	174.6	-173.2	-14.5	0	0	0	110.8	Y149 T174 R231 K232 T235	Y149-D229 HydrophobicContact CD1-CB 3.94Å; Y149-D229 HydrophobicContact CE1-CB 3.64Å; T174-D229 PolarHBondContact O-N 3.05Å; D229-R231 PolarHBondContact O-N 3.04Å; D229-R231 WeakPolarHBondContact OD1-CB 3.41Å; D229-R231 IonicContact OD1-CZ 3.51Å; D229-R231 PolarHBondContact OD1-N 3.11Å; D229-R231 IonicContact OD1-NE 3.18Å; D229-R231 PolarHBondContact OD1-NE 2.93Å; D229-R231 IonicContact OD1-NH2 2.74Å; D229-R231 PolarHBondContact OD1-NH2 2.8Å; D229-R231 IonicContact OD2-CZ 3.42Å; D229-R231 IonicContact OD2-NE 3.04Å; D229-R231 IonicContact OD2-NH2 3.76Å; D229-R231 PolarHBondContact OD2-NH2 2.83Å; D229-K232 HydrophobicContact CB-CD 4.35Å; D229-K232 PolarHBondContact O-N 2.95Å; D229-T235 WeakPolarHBondContact O-CG2 3.3Å
230	L	98.6	Very high	97.1	Very high	23 Å²	23	42.1 Å²	42.1	12%	0.12	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-10.9	-174.3	-58.8	-176.8	0	0	0	113.4	L139 A142 D148 L150 M228 K232 T235	L139-L230 HydrophobicContact CD1-CD2 3.77Å; A142-L230 HydrophobicContact CB-CD1 3.52Å; D148-L230 PolarHBondContact O-N 2.64Å; L150-L230 HydrophobicContact CB-CD1 4.04Å; L150-L230 HydrophobicContact CB-CD2 4.45Å; L150-L230 HydrophobicContact CB-CG 4.34Å; M228-L230 HydrophobicContact CB-CD2 4.31Å; M228-L230 HydrophobicContact CE-CD2 4.23Å; M228-L230 PolarHBondContact O-N 2.72Å; L230-K232 PolarHBondContact O-N 2.84Å; L230-T235 PolarHBondContact O-OG1 3Å
231	R	97.7	Very high	97.2	Very high	126 Å²	126	41.6 Å²	41.6	48%	0.475	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-19.6	176.9	-54.7	168.6	-61.9	174.1	15.1	111.8	D148 Y149 D229	D148-R231 HydrophobicContact CB-CG 4.02Å; D148-R231 WeakPolarHBondContact OD1-CD 3.34Å; Y149-R231 VanDerWaalsContact CZ-NH2 3.31Å; Y149-R231 VanDerWaalsContact OH-CZ 3.31Å; Y149-R231 PolarHBondContact OH-NH2 3.36Å; D229-R231 PolarHBondContact O-N 3.04Å; D229-R231 WeakPolarHBondContact OD1-CB 3.41Å; D229-R231 IonicContact OD1-CZ 3.51Å; D229-R231 PolarHBondContact OD1-N 3.11Å; D229-R231 IonicContact OD1-NE 3.18Å; D229-R231 PolarHBondContact OD1-NE 2.93Å; D229-R231 IonicContact OD1-NH2 2.74Å; D229-R231 PolarHBondContact OD1-NH2 2.8Å; D229-R231 IonicContact OD2-CZ 3.42Å; D229-R231 IonicContact OD2-NE 3.04Å; D229-R231 IonicContact OD2-NH2 3.76Å; D229-R231 PolarHBondContact OD2-NH2 2.83Å
232	K	97	Very high	97.3	Very high	51 Å²	51	45.9 Å²	45.9	22%	0.222	21%	0.211	C	C	.	.	S	Bend	trans	-81	127.5	-179.9	-67.2	-178	178.8	177.5	0	110.7	N172 K173 T174 D229 L230 A234 T235	N172-K232 VanDerWaalsContact C-NZ 3.31Å; N172-K232 PolarHBondContact O-NZ 3.16Å; N172-K232 WeakPolarHBondContact OD1-CE 3.29Å; N172-K232 PolarHBondContact OD1-NZ 3.07Å; K173-K232 VanDerWaalsContact C-NZ 3.34Å; T174-K232 HydrophobicContact CG2-CB 4.41Å; T174-K232 HydrophobicContact CG2-CD 4.25Å; T174-K232 WeakPolarHBondContact OG1-CD 3.49Å; D229-K232 HydrophobicContact CB-CD 4.35Å; D229-K232 PolarHBondContact O-N 2.95Å; L230-K232 PolarHBondContact O-N 2.84Å; K232-A234 PolarHBondContact O-N 3.15Å; K232-A234 VanDerWaalsContact O-N 3.08Å; K232-T235 HydrophobicContact CB-CG2 4.37Å; K232-T235 WeakPolarHBondContact O-CB 3.28Å; K232-T235 PolarHBondContact O-N 2.72Å; K232-T235 PolarHBondContact O-OG1 2.72Å
233	R	95.6	Very high	97.2	Very high	209 Å²	209	47.4 Å²	47.4	79%	0.789	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-50.8	-38.7	-177.4	-176.4	179.2	175.6	177.9	-0.7	113.8	T235 R236	R233-T235 PolarHBondContact O-N 2.97Å; R233-R236 WeakPolarHBondContact O-CB 3.38Å; R233-R236 PolarHBondContact O-N 2.79Å; R233-R236 VanDerWaalsContact O-N 3.16Å
234	A	94	Very high	97.2	Very high	32 Å²	32	50.2 Å²	50.2	26%	0.264	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-58.7	-29.9	-179.5	0	0	0	0	0	112.9	K232 R236 Q237 V266	K232-A234 PolarHBondContact O-N 3.15Å; K232-A234 VanDerWaalsContact O-N 3.08Å; A234-R236 PolarHBondContact O-N 2.75Å; A234-R236 VanDerWaalsContact O-N 3.12Å; A234-Q237 PolarHBondContact O-N 3.01Å; A234-Q237 VanDerWaalsContact O-N 3.16Å; A234-V266 HydrophobicContact CB-CG2 3.69Å
235	T	95.7	Very high	97	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.012	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-64.6	-17.6	179.3	62.7	0	0	0	0	114.4	R143 T174 D229 L230 K232 R233 Q237 L238	R143-T235 PolarHBondContact NH2-O 3.42Å; T174-T235 HydrophobicContact CG2-CG2 3.37Å; D229-T235 WeakPolarHBondContact O-CG2 3.3Å; L230-T235 PolarHBondContact O-OG1 3Å; K232-T235 HydrophobicContact CB-CG2 4.37Å; K232-T235 WeakPolarHBondContact O-CB 3.28Å; K232-T235 PolarHBondContact O-N 2.72Å; K232-T235 PolarHBondContact O-OG1 2.72Å; R233-T235 PolarHBondContact O-N 2.97Å; T235-Q237 PolarHBondContact O-N 2.58Å; T235-L238 HydrophobicContact CG2-CD1 4.03Å; T235-L238 WeakPolarHBondContact O-CB 3.45Å; T235-L238 PolarHBondContact O-N 3.38Å
236	R	95.9	Very high	96.8	Very high	195 Å²	195	62.3 Å²	62.3	74%	0.736	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-65.1	-22.9	176.1	-65.8	-177.9	179.7	174.1	-0.8	113	R233 A234	R233-R236 WeakPolarHBondContact O-CB 3.38Å; R233-R236 PolarHBondContact O-N 2.79Å; R233-R236 VanDerWaalsContact O-N 3.16Å; A234-R236 PolarHBondContact O-N 2.75Å; A234-R236 VanDerWaalsContact O-N 3.12Å
237	Q	96.3	Very high	96.5	Very high	134 Å²	134	63.8 Å²	63.8	63%	0.626	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-89.9	-8.8	179.4	-62.6	-177.6	89	0	0	112.8	A234 T235 A264	A234-Q237 PolarHBondContact O-N 3.01Å; A234-Q237 VanDerWaalsContact O-N 3.16Å; T235-Q237 PolarHBondContact O-N 2.58Å; Q237-A264 HydrophobicContact CB-CB 3.74Å
238	L	97.4	Very high	96.1	Very high	1 Å²	1	68.4 Å²	68.4	1%	0.005	34%	0.338	C	S	.	.			trans	-75.8	137.3	178.1	-60	175.6	0	0	0	110.5	R143 I175 M228 T235 F257 A261 A264 V266	R143-L238 PolarHBondContact NH2-O 3.48Å; I175-L238 HydrophobicContact CD1-CD1 3.93Å; I175-L238 HydrophobicContact CD1-CD2 4.46Å; I175-L238 HydrophobicContact CG1-CD1 4.35Å; M228-L238 HydrophobicContact CE-CB 4.36Å; M228-L238 HydrophobicContact CE-CD1 3.5Å; M228-L238 VanDerWaalsContact CE-CD1 3.5Å; T235-L238 HydrophobicContact CG2-CD1 4.03Å; T235-L238 WeakPolarHBondContact O-CB 3.45Å; T235-L238 PolarHBondContact O-N 3.38Å; L238-F257 HydrophobicContact CB-CE2 4.46Å; L238-A261 HydrophobicContact CD2-CB 3.96Å; L238-A264 HydrophobicContact CD2-CB 3.83Å; L238-V266 HydrophobicContact CD2-CB 4.21Å; L238-V266 HydrophobicContact CD2-CG2 4.11Å
239	A	97.8	Very high	95.7	Very high	27 Å²	27	70.7 Å²	70.7	22%	0.223	35%	0.347	C	S	.	.			trans	-145.8	142.5	174.2	0	0	0	0	0	110.1	S260	A239-S260 PolarHBondContact N-OG 2.81Å; A239-S260 VanDerWaalsContact O-CB 3.27Å; A239-S260 WeakPolarHBondContact O-CB 3.48Å; A239-S260 PolarHBondContact O-OG 2.94Å; A239-S260 VanDerWaalsContact O-OG 3.13Å
240	F	98	Very high	95.3	Very high	1 Å²	1	71.7 Å²	71.7	0%	0.004	36%	0.356	C	S	.	.	S	Bend	trans	-88.8	-31	166.8	-66.7	-84.4	0	0	0	111	M132 R135 Q136 L139 L152 F226 M228 F257	M132-F240 WeakPolarHBondContact O-CB 3.26Å; R135-F240 HydrophobicContact CB-CB 3.91Å; R135-F240 HydrophobicContact CB-CD1 3.75Å; R135-F240 HydrophobicContact CB-CD2 3.82Å; R135-F240 HydrophobicContact CB-CE1 4.22Å; R135-F240 HydrophobicContact CB-CE2 4.29Å; R135-F240 HydrophobicContact CB-CG 3.54Å; R135-F240 HydrophobicContact CB-CZ 4.49Å; R135-F240 HydrophobicContact CG-CD1 4.42Å; Q136-F240 HydrophobicContact CB-CB 4.18Å; L139-F240 HydrophobicContact CB-CD2 4.28Å; L139-F240 HydrophobicContact CB-CE2 4.26Å; L139-F240 HydrophobicContact CD2-CD2 4.03Å; L139-F240 HydrophobicContact CD2-CE2 4.08Å; L152-F240 HydrophobicContact CD1-CE1 3.88Å; L152-F240 HydrophobicContact CD1-CE2 4Å; L152-F240 HydrophobicContact CD1-CZ 3.3Å; F226-F240 HydrophobicContact CE2-CZ 4.36Å; F226-F240 HydrophobicContact CZ-CE1 4.08Å; F226-F240 AromaticContact CZ-CZ 3.94Å; F226-F240 HydrophobicContact CZ-CZ 3.94Å; M228-F240 HydrophobicContact SD-CE2 4.33Å; M228-F240 HydrophobicContact SD-CZ 4.19Å; F240-F257 HydrophobicContact CD1-CB 3.88Å; F240-F257 HydrophobicContact CD1-CD1 4.48Å; F240-F257 AromaticContact CD1-CD2 3.42Å; F240-F257 HydrophobicContact CD1-CD2 3.42Å; F240-F257 VanDerWaalsContact CD1-CD2 3.42Å; F240-F257 HydrophobicContact CD1-CE2 4.04Å; F240-F257 AromaticContact CD1-CG 3.67Å; F240-F257 HydrophobicContact CD1-CG 3.67Å; F240-F257 HydrophobicContact CD2-CD2 4.34Å; F240-F257 HydrophobicContact CD2-CE2 4.3Å; F240-F257 HydrophobicContact CE1-CB 3.98Å; F240-F257 AromaticContact CE1-CD1 3.74Å; F240-F257 HydrophobicContact CE1-CD1 3.74Å; F240-F257 AromaticContact CE1-CD2 3.25Å; F240-F257 HydrophobicContact CE1-CD2 3.25Å; F240-F257 AromaticContact CE1-CE1 3.99Å; F240-F257 HydrophobicContact CE1-CE1 3.99Å; F240-F257 AromaticContact CE1-CE2 3.54Å; F240-F257 HydrophobicContact CE1-CE2 3.54Å; F240-F257 AromaticContact CE1-CG 3.36Å; F240-F257 HydrophobicContact CE1-CG 3.36Å; F240-F257 AromaticContact CE1-CZ 3.89Å; F240-F257 HydrophobicContact CE1-CZ 3.89Å; F240-F257 HydrophobicContact CE2-CD2 4.2Å; F240-F257 AromaticContact CE2-CE2 3.83Å; F240-F257 HydrophobicContact CE2-CE2 3.83Å; F240-F257 HydrophobicContact CE2-CZ 4.34Å; F240-F257 AromaticContact CG-CD2 3.96Å; F240-F257 HydrophobicContact CG-CD2 3.96Å; F240-F257 HydrophobicContact CG-CE2 4.39Å; F240-F257 HydrophobicContact CZ-CD1 4.29Å; F240-F257 AromaticContact CZ-CD2 3.66Å; F240-F257 HydrophobicContact CZ-CD2 3.66Å; F240-F257 HydrophobicContact CZ-CE1 4.06Å; F240-F257 AromaticContact CZ-CE2 3.39Å; F240-F257 HydrophobicContact CZ-CE2 3.39Å; F240-F257 HydrophobicContact CZ-CG 4.1Å; F240-F257 AromaticContact CZ-CZ 3.61Å; F240-F257 HydrophobicContact CZ-CZ 3.61Å
241	H	97.9	Very high	95	Very high	38 Å²	38	73.7 Å²	73.7	18%	0.176	36%	0.364	C	S	.	.	S	Bend	trans	-153.6	147	-179	-176	-84.5	0	0	0	110.7	E129 M132 K133 Q136	E129-H241 IonicContact OE1-NE2 3.83Å; M132-H241 HydrophobicContact CB-CB 4.09Å; K133-H241 VanDerWaalsContact CE-CE1 3.43Å; K133-H241 WeakPolarHBondContact CE-CE1 3.45Å; K133-H241 VanDerWaalsContact CE-NE2 3.35Å; K133-H241 WeakPolarHBondContact CE-NE2 3.06Å; K133-H241 HydrophobicContact CG-CB 4.36Å; Q136-H241 HydrophobicContact CB-CB 3.93Å; Q136-H241 HydrophobicContact CG-CB 4.3Å; Q136-H241 VanDerWaalsContact CG-O 3.28Å; Q136-H241 WeakPolarHBondContact CG-O 3.48Å; Q136-H241 PolarHBondContact OE1-O 3.4Å
242	P	97.1	Very high	94.8	Very high	91 Å²	91	69 Å²	69	59%	0.591	35%	0.348	S	S	*	.	S	Bend	cis	-64.7	161.1	-12.9	30.3	-35.6	0	0	0	111.3
243	P	96.1	Very high	94.7	Very high	35 Å²	35	67 Å²	67	23%	0.227	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-53.5	151.7	171.4	-23.7	32.8	0	0	0	111.7	Y247 F251 V256	P243-Y247 HydrophobicContact CB-CD1 4.29Å; P243-Y247 HydrophobicContact CB-CG 4.31Å; P243-F251 HydrophobicContact CG-CE2 3.94Å; P243-V256 HydrophobicContact CB-CG1 4.01Å; P243-V256 HydrophobicContact CG-CG1 4.17Å
244	H	95.4	Very high	94.6	Very high	69 Å²	69	58.4 Å²	58.4	32%	0.319	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-56.8	142.5	176.6	-169.7	-93.5	0	0	0	110.4	E246 Y247 F259	H244-E246 IonicContact CE1-OE1 2.65Å; H244-E246 PolarHBondContact ND1-N 3.47Å; H244-E246 PolarHBondContact O-N 2.81Å; H244-Y247 WeakPolarHBondContact O-CB 3.43Å; H244-Y247 PolarHBondContact O-N 2.99Å; H244-F259 HydrophobicContact CB-CD1 3.98Å; H244-F259 HydrophobicContact CB-CE1 3.9Å; H244-F259 AromaticContact ND1-CE1 3.93Å
245	P	94	Very high	94.7	Very high	128 Å²	128	57 Å²	57	83%	0.831	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.1	-177.7	-28.4	36	0	0	0	115.2
246	E	93.3	Very high	94.8	Very high	138 Å²	138	57 Å²	57	65%	0.645	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	3.3	177.1	-61.2	179	-138.1	0	0	113.6	H244 S248 F259	H244-E246 IonicContact CE1-OE1 2.65Å; H244-E246 PolarHBondContact ND1-N 3.47Å; H244-E246 PolarHBondContact O-N 2.81Å; E246-S248 PolarHBondContact O-N 3.14Å; E246-F259 HydrophobicContact CB-CZ 4.49Å
247	Y	93.2	Very high	94.8	Very high	35 Å²	35	48 Å²	48	14%	0.137	26%	0.263	C	S	.	.			trans	-69	125	179.9	-170	-98.9	0	0	0	111	P243 H244 W249 A250 I255 V256 F259	P243-Y247 HydrophobicContact CB-CD1 4.29Å; P243-Y247 HydrophobicContact CB-CG 4.31Å; H244-Y247 WeakPolarHBondContact O-CB 3.43Å; H244-Y247 PolarHBondContact O-N 2.99Å; Y247-W249 HydrophobicContact CE1-CB 4.21Å; Y247-W249 WeakPolarHBondContact CE1-O 3.22Å; Y247-W249 HydrophobicContact CE2-CB 3.95Å; Y247-W249 HydrophobicContact CE2-CD2 4.43Å; Y247-W249 HydrophobicContact CE2-CE3 4.16Å; Y247-W249 HydrophobicContact CE2-CG 4.38Å; Y247-A250 PolarHBondContact OH-O 2.85Å; Y247-I255 HydrophobicContact CE2-CG2 4.47Å; Y247-I255 WeakPolarHBondContact OH-CG2 3.37Å; Y247-V256 HydrophobicContact CD1-CG2 4.25Å; Y247-V256 HydrophobicContact CE1-CG2 3.57Å; Y247-V256 HydrophobicContact CE2-CB 4.39Å; Y247-V256 HydrophobicContact CE2-CG2 4Å; Y247-V256 VanDerWaalsContact CZ-CG2 3.41Å; Y247-V256 WeakPolarHBondContact OH-CG2 3.24Å; Y247-F259 HydrophobicContact CD2-CB 3.7Å; Y247-F259 AromaticContact CD2-CD1 3.71Å; Y247-F259 HydrophobicContact CD2-CD1 3.71Å; Y247-F259 HydrophobicContact CD2-CD2 4.04Å; Y247-F259 HydrophobicContact CD2-CE1 4.31Å; Y247-F259 AromaticContact CD2-CG 3.55Å; Y247-F259 HydrophobicContact CD2-CG 3.55Å; Y247-F259 HydrophobicContact CE2-CB 3.68Å; Y247-F259 HydrophobicContact CE2-CD2 4.36Å; Y247-F259 AromaticContact CE2-CG 3.97Å; Y247-F259 HydrophobicContact CE2-CG 3.97Å
248	S	90.6	Very high	94.8	Very high	98 Å²	98	41.8 Å²	41.8	69%	0.685	24%	0.235	S	C	*	.			trans	-136.1	11.3	-179.4	54.5	0	0	0	0	113.6	E246	E246-S248 PolarHBondContact O-N 3.14Å
249	W	90.2	Very high	94.8	Very high	48 Å²	48	42.3 Å²	42.3	18%	0.182	24%	0.237	C	C	.	.	S	Bend	trans	-89.8	-174.1	-179.4	-57.6	-14.7	0	0	0	111.7	M193 S195 G197 Y247 I255 F259	M193-W249 HydrophobicContact CE-CZ3 3.99Å; S195-W249 PolarHBondContact O-NE1 2.73Å; G197-W249 VanDerWaalsContact CA-CE3 3.48Å; Y247-W249 HydrophobicContact CE1-CB 4.21Å; Y247-W249 WeakPolarHBondContact CE1-O 3.22Å; Y247-W249 HydrophobicContact CE2-CB 3.95Å; Y247-W249 HydrophobicContact CE2-CD2 4.43Å; Y247-W249 HydrophobicContact CE2-CE3 4.16Å; Y247-W249 HydrophobicContact CE2-CG 4.38Å; W249-I255 HydrophobicContact CB-CG2 4.35Å; W249-I255 HydrophobicContact CE3-CG2 3.66Å; W249-I255 HydrophobicContact CZ3-CG2 4.39Å; W249-F259 AromaticContact CD2-CD2 3.97Å; W249-F259 HydrophobicContact CD2-CD2 3.97Å; W249-F259 HydrophobicContact CD2-CE2 4.46Å; W249-F259 AromaticContact CE2-CD2 3.93Å; W249-F259 HydrophobicContact CE3-CB 4.26Å; W249-F259 AromaticContact CE3-CD2 3.77Å; W249-F259 HydrophobicContact CE3-CD2 3.77Å; W249-F259 HydrophobicContact CE3-CG 4.47Å; W249-F259 AromaticContact CH2-CD2 3.6Å; W249-F259 HydrophobicContact CH2-CD2 3.6Å; W249-F259 HydrophobicContact CH2-CE2 4.22Å; W249-F259 AromaticContact CZ2-CD2 3.76Å; W249-F259 HydrophobicContact CZ2-CD2 3.76Å; W249-F259 AromaticContact CZ2-CE2 3.95Å; W249-F259 HydrophobicContact CZ2-CE2 3.95Å; W249-F259 HydrophobicContact CZ3-CB 4.1Å; W249-F259 AromaticContact CZ3-CD2 3.61Å; W249-F259 HydrophobicContact CZ3-CD2 3.61Å; W249-F259 HydrophobicContact CZ3-CG 4.35Å
250	A	88.9	Confident	94.7	Very high	24 Å²	24	41.5 Å²	41.5	20%	0.198	23%	0.23	C	C	.	.			trans	-56.6	139.4	177.7	0	0	0	0	0	112.1	Y198 Y247 D252 I255	Y198-A250 HydrophobicContact CE1-CB 4.25Å; Y198-A250 HydrophobicContact CE2-CB 4.05Å; Y198-A250 WeakPolarHBondContact OH-CB 3.32Å; Y247-A250 PolarHBondContact OH-O 2.85Å; A250-D252 PolarHBondContact O-N 3.21Å; A250-I255 HydrophobicContact CB-CD1 4.34Å
251	F	92.1	Very high	94.7	Very high	66 Å²	66	41.5 Å²	41.5	29%	0.289	23%	0.23	S	C	.	.			trans	-79.6	93.2	179.6	-164	-106	0	0	0	110.2	D125 Y128 E129 M132 P243	D125-F251 HydrophobicContact CB-CD1 4.08Å; D125-F251 HydrophobicContact CB-CE1 4.4Å; D125-F251 WeakPolarHBondContact O-CE1 3.4Å; Y128-F251 VanDerWaalsContact CD2-O 3.3Å; Y128-F251 WeakPolarHBondContact CD2-O 3.33Å; E129-F251 HydrophobicContact CB-CE1 3.98Å; E129-F251 HydrophobicContact CB-CZ 3.99Å; E129-F251 HydrophobicContact CG-CZ 4.23Å; M132-F251 HydrophobicContact CE-CD1 4.43Å; M132-F251 HydrophobicContact CE-CD2 4.4Å; M132-F251 HydrophobicContact CE-CE1 3.67Å; M132-F251 HydrophobicContact CE-CE2 3.65Å; M132-F251 HydrophobicContact CE-CZ 3.23Å; P243-F251 HydrophobicContact CG-CE2 3.94Å
252	D	93.9	Very high	94.5	Very high	28 Å²	28	44.8 Å²	44.8	15%	0.15	25%	0.245	C	C	.	.			trans	-146.5	135.8	-174.5	168.6	-64.1	0	0	0	108	Y128 A250 I254 I255 V256	Y128-D252 HydrophobicContact CE1-CB 4.31Å; A250-D252 PolarHBondContact O-N 3.21Å; D252-I254 VanDerWaalsContact C-N 3.32Å; D252-I254 PolarHBondContact O-N 2.71Å; D252-I254 WeakPolarHBondContact OD1-CG1 3.25Å; D252-I254 PolarHBondContact OD1-N 3.29Å; D252-I255 HydrophobicContact CB-CB 4.16Å; D252-I255 HydrophobicContact CB-CD1 3.98Å; D252-I255 HydrophobicContact CB-CG1 4.07Å; D252-I255 PolarHBondContact O-N 3.47Å; D252-I255 PolarHBondContact OD1-N 2.88Å; D252-V256 WeakPolarHBondContact O-CB 3.26Å; D252-V256 WeakPolarHBondContact O-CG2 3.38Å; D252-V256 PolarHBondContact O-N 3.48Å
253	D	94.4	Very high	94.5	Very high	9 Å²	9	43.4 Å²	43.4	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-64	-33.8	-170.9	66.5	-52.4	0	0	0	113.6	Y128 M132 R135 F257	Y128-D253 HydrophobicContact CD1-CB 4.06Å; Y128-D253 WeakPolarHBondContact CD1-OD1 3.2Å; Y128-D253 WeakPolarHBondContact CE1-OD1 3.37Å; M132-D253 HydrophobicContact CG-CB 3.65Å; M132-D253 HydrophobicContact SD-CB 4.41Å; R135-D253 IonicContact CZ-OD2 3.02Å; R135-D253 IonicContact NH1-OD2 3.96Å; R135-D253 PolarHBondContact NH1-OD2 3.42Å; R135-D253 IonicContact NH2-OD2 2.64Å; R135-D253 PolarHBondContact NH2-OD2 3.24Å; D253-F257 WeakPolarHBondContact O-CB 3.49Å; D253-F257 PolarHBondContact O-N 3.22Å
254	I	95.1	Very high	94.5	Very high	27 Å²	27	42 Å²	42	14%	0.138	22%	0.224	C	C	.	.	H	α-helix	trans	-81.9	-35	-179.5	62.9	163.3	0	0	0	111	W190 M221 H223 D252 A258	W190-I254 HydrophobicContact CH2-CD1 4.44Å; W190-I254 HydrophobicContact CZ2-CD1 4.04Å; M221-I254 HydrophobicContact CE-CD1 3.7Å; M221-I254 HydrophobicContact SD-CB 4.31Å; M221-I254 HydrophobicContact SD-CD1 4.14Å; H223-I254 HydrophobicContact CB-CB 4.1Å; H223-I254 HydrophobicContact CB-CD1 4.35Å; H223-I254 HydrophobicContact CB-CG2 3.53Å; D252-I254 VanDerWaalsContact C-N 3.32Å; D252-I254 PolarHBondContact O-N 2.71Å; D252-I254 WeakPolarHBondContact OD1-CG1 3.25Å; D252-I254 PolarHBondContact OD1-N 3.29Å; I254-A258 VanDerWaalsContact O-CB 3.32Å; I254-A258 WeakPolarHBondContact O-CB 3.28Å; I254-A258 PolarHBondContact O-N 3.09Å
255	I	95.5	Very high	94.5	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-71.6	-43.8	176.8	-59.1	178.9	0	0	0	110.5	W190 M193 Y247 W249 A250 D252 F257 A258 F259	W190-I255 HydrophobicContact CH2-CD1 4.29Å; W190-I255 HydrophobicContact CH2-CG1 4.19Å; W190-I255 HydrophobicContact CZ3-CG1 4.38Å; M193-I255 HydrophobicContact CE-CG2 4.37Å; Y247-I255 HydrophobicContact CE2-CG2 4.47Å; Y247-I255 WeakPolarHBondContact OH-CG2 3.37Å; W249-I255 HydrophobicContact CB-CG2 4.35Å; W249-I255 HydrophobicContact CE3-CG2 3.66Å; W249-I255 HydrophobicContact CZ3-CG2 4.39Å; A250-I255 HydrophobicContact CB-CD1 4.34Å; D252-I255 HydrophobicContact CB-CB 4.16Å; D252-I255 HydrophobicContact CB-CD1 3.98Å; D252-I255 HydrophobicContact CB-CG1 4.07Å; D252-I255 PolarHBondContact O-N 3.47Å; D252-I255 PolarHBondContact OD1-N 2.88Å; I255-F257 VanDerWaalsContact C-N 3.34Å; I255-F257 PolarHBondContact O-N 2.78Å; I255-A258 PolarHBondContact O-N 3.04Å; I255-F259 PolarHBondContact O-N 3.38Å
256	V	96.8	Very high	94.7	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-58.9	-46.4	176.8	170.1	0	0	0	0	110.7	M132 P243 Y247 D252 F259 S260	M132-V256 HydrophobicContact SD-CB 3.8Å; M132-V256 HydrophobicContact SD-CG1 3.75Å; M132-V256 HydrophobicContact SD-CG2 3.95Å; P243-V256 HydrophobicContact CB-CG1 4.01Å; P243-V256 HydrophobicContact CG-CG1 4.17Å; Y247-V256 HydrophobicContact CD1-CG2 4.25Å; Y247-V256 HydrophobicContact CE1-CG2 3.57Å; Y247-V256 HydrophobicContact CE2-CB 4.39Å; Y247-V256 HydrophobicContact CE2-CG2 4Å; Y247-V256 VanDerWaalsContact CZ-CG2 3.41Å; Y247-V256 WeakPolarHBondContact OH-CG2 3.24Å; D252-V256 WeakPolarHBondContact O-CB 3.26Å; D252-V256 WeakPolarHBondContact O-CG2 3.38Å; D252-V256 PolarHBondContact O-N 3.48Å; V256-F259 PolarHBondContact O-N 3.41Å; V256-S260 PolarHBondContact O-N 3.03Å
257	F	97.4	Very high	94.9	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-67.5	-38.9	178.6	-177.5	-114	0	0	0	112.5	I175 F226 M228 L238 F240 D253 I255 F259 S260 A261	I175-F257 HydrophobicContact CD1-CE1 4.12Å; I175-F257 HydrophobicContact CD1-CZ 3.94Å; F226-F257 AromaticContact CE2-CE1 3.62Å; F226-F257 HydrophobicContact CE2-CE1 3.62Å; F226-F257 HydrophobicContact CE2-CZ 4.03Å; F226-F257 HydrophobicContact CZ-CD1 4.06Å; F226-F257 AromaticContact CZ-CE1 3.59Å; F226-F257 HydrophobicContact CZ-CE1 3.59Å; F226-F257 HydrophobicContact CZ-CZ 4.24Å; M228-F257 HydrophobicContact CE-CZ 4.28Å; M228-F257 HydrophobicContact SD-CZ 3.94Å; L238-F257 HydrophobicContact CB-CE2 4.46Å; F240-F257 HydrophobicContact CD1-CB 3.88Å; F240-F257 HydrophobicContact CD1-CD1 4.48Å; F240-F257 AromaticContact CD1-CD2 3.42Å; F240-F257 HydrophobicContact CD1-CD2 3.42Å; F240-F257 VanDerWaalsContact CD1-CD2 3.42Å; F240-F257 HydrophobicContact CD1-CE2 4.04Å; F240-F257 AromaticContact CD1-CG 3.67Å; F240-F257 HydrophobicContact CD1-CG 3.67Å; F240-F257 HydrophobicContact CD2-CD2 4.34Å; F240-F257 HydrophobicContact CD2-CE2 4.3Å; F240-F257 HydrophobicContact CE1-CB 3.98Å; F240-F257 AromaticContact CE1-CD1 3.74Å; F240-F257 HydrophobicContact CE1-CD1 3.74Å; F240-F257 AromaticContact CE1-CD2 3.25Å; F240-F257 HydrophobicContact CE1-CD2 3.25Å; F240-F257 AromaticContact CE1-CE1 3.99Å; F240-F257 HydrophobicContact CE1-CE1 3.99Å; F240-F257 AromaticContact CE1-CE2 3.54Å; F240-F257 HydrophobicContact CE1-CE2 3.54Å; F240-F257 AromaticContact CE1-CG 3.36Å; F240-F257 HydrophobicContact CE1-CG 3.36Å; F240-F257 AromaticContact CE1-CZ 3.89Å; F240-F257 HydrophobicContact CE1-CZ 3.89Å; F240-F257 HydrophobicContact CE2-CD2 4.2Å; F240-F257 AromaticContact CE2-CE2 3.83Å; F240-F257 HydrophobicContact CE2-CE2 3.83Å; F240-F257 HydrophobicContact CE2-CZ 4.34Å; F240-F257 AromaticContact CG-CD2 3.96Å; F240-F257 HydrophobicContact CG-CD2 3.96Å; F240-F257 HydrophobicContact CG-CE2 4.39Å; F240-F257 HydrophobicContact CZ-CD1 4.29Å; F240-F257 AromaticContact CZ-CD2 3.66Å; F240-F257 HydrophobicContact CZ-CD2 3.66Å; F240-F257 HydrophobicContact CZ-CE1 4.06Å; F240-F257 AromaticContact CZ-CE2 3.39Å; F240-F257 HydrophobicContact CZ-CE2 3.39Å; F240-F257 HydrophobicContact CZ-CG 4.1Å; F240-F257 AromaticContact CZ-CZ 3.61Å; F240-F257 HydrophobicContact CZ-CZ 3.61Å; D253-F257 WeakPolarHBondContact O-CB 3.49Å; D253-F257 PolarHBondContact O-N 3.22Å; I255-F257 VanDerWaalsContact C-N 3.34Å; I255-F257 PolarHBondContact O-N 2.78Å; F257-F259 VanDerWaalsContact C-N 3.29Å; F257-F259 PolarHBondContact O-N 3.47Å; F257-S260 WeakPolarHBondContact O-CB 3.46Å; F257-S260 PolarHBondContact O-N 2.84Å; F257-S260 VanDerWaalsContact O-N 3.17Å; F257-A261 PolarHBondContact O-N 2.93Å
258	A	96.3	Very high	95.2	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.033	20%	0.195	C	C	.	.	H	α-helix	trans	-59.9	-41.4	175	0	0	0	0	0	111.9	M193 M221 I254 I255 A261 Q262 M268	M193-A258 HydrophobicContact CE-CB 4.25Å; M221-A258 HydrophobicContact CB-CB 4.17Å; M221-A258 HydrophobicContact CG-CB 3.85Å; I254-A258 VanDerWaalsContact O-CB 3.32Å; I254-A258 WeakPolarHBondContact O-CB 3.28Å; I254-A258 PolarHBondContact O-N 3.09Å; I255-A258 PolarHBondContact O-N 3.04Å; A258-A261 PolarHBondContact O-N 2.98Å; A258-Q262 PolarHBondContact O-N 3.14Å; A258-M268 HydrophobicContact CB-CE 3.74Å
259	F	96.1	Very high	95.6	Very high	13 Å²	13	33.9 Å²	33.9	6%	0.057	17%	0.17	C	C	.	.	H	α-helix	trans	-64.5	-42.7	173.7	-171.4	-85.5	0	0	0	112	H244 E246 Y247 W249 I255 V256 F257 A261 Q262 M263	H244-F259 HydrophobicContact CB-CD1 3.98Å; H244-F259 HydrophobicContact CB-CE1 3.9Å; H244-F259 AromaticContact ND1-CE1 3.93Å; E246-F259 HydrophobicContact CB-CZ 4.49Å; Y247-F259 HydrophobicContact CD2-CB 3.7Å; Y247-F259 AromaticContact CD2-CD1 3.71Å; Y247-F259 HydrophobicContact CD2-CD1 3.71Å; Y247-F259 HydrophobicContact CD2-CD2 4.04Å; Y247-F259 HydrophobicContact CD2-CE1 4.31Å; Y247-F259 AromaticContact CD2-CG 3.55Å; Y247-F259 HydrophobicContact CD2-CG 3.55Å; Y247-F259 HydrophobicContact CE2-CB 3.68Å; Y247-F259 HydrophobicContact CE2-CD2 4.36Å; Y247-F259 AromaticContact CE2-CG 3.97Å; Y247-F259 HydrophobicContact CE2-CG 3.97Å; W249-F259 AromaticContact CD2-CD2 3.97Å; W249-F259 HydrophobicContact CD2-CD2 3.97Å; W249-F259 HydrophobicContact CD2-CE2 4.46Å; W249-F259 AromaticContact CE2-CD2 3.93Å; W249-F259 HydrophobicContact CE3-CB 4.26Å; W249-F259 AromaticContact CE3-CD2 3.77Å; W249-F259 HydrophobicContact CE3-CD2 3.77Å; W249-F259 HydrophobicContact CE3-CG 4.47Å; W249-F259 AromaticContact CH2-CD2 3.6Å; W249-F259 HydrophobicContact CH2-CD2 3.6Å; W249-F259 HydrophobicContact CH2-CE2 4.22Å; W249-F259 AromaticContact CZ2-CD2 3.76Å; W249-F259 HydrophobicContact CZ2-CD2 3.76Å; W249-F259 AromaticContact CZ2-CE2 3.95Å; W249-F259 HydrophobicContact CZ2-CE2 3.95Å; W249-F259 HydrophobicContact CZ3-CB 4.1Å; W249-F259 AromaticContact CZ3-CD2 3.61Å; W249-F259 HydrophobicContact CZ3-CD2 3.61Å; W249-F259 HydrophobicContact CZ3-CG 4.35Å; I255-F259 PolarHBondContact O-N 3.38Å; V256-F259 PolarHBondContact O-N 3.41Å; F257-F259 VanDerWaalsContact C-N 3.29Å; F257-F259 PolarHBondContact O-N 3.47Å; F259-A261 VanDerWaalsContact C-N 3.32Å; F259-A261 PolarHBondContact O-N 2.94Å; F259-Q262 WeakPolarHBondContact O-CB 3.17Å; F259-Q262 PolarHBondContact O-N 2.77Å; F259-Q262 VanDerWaalsContact O-N 3.16Å; F259-M263 HydrophobicContact CD1-CG 3.66Å; F259-M263 HydrophobicContact CE1-CE 4.27Å; F259-M263 HydrophobicContact CE1-CG 3.31Å; F259-M263 HydrophobicContact CE1-SD 3.82Å; F259-M263 HydrophobicContact CE2-CE 4.2Å; F259-M263 HydrophobicContact CZ-CE 3.97Å; F259-M263 HydrophobicContact CZ-CG 3.96Å; F259-M263 HydrophobicContact CZ-SD 3.84Å; F259-M263 WeakPolarHBondContact O-CG 3.32Å; F259-M263 PolarHBondContact O-N 3.18Å
260	S	97	Very high	96	Very high	10 Å²	10	31.6 Å²	31.6	7%	0.07	16%	0.161	C	C	.	.	H	α-helix	trans	-57.2	-45.1	174.6	178.8	0	0	0	0	111.8	A239 V256 F257 Q262 M263 A264	A239-S260 PolarHBondContact N-OG 2.81Å; A239-S260 VanDerWaalsContact O-CB 3.27Å; A239-S260 WeakPolarHBondContact O-CB 3.48Å; A239-S260 PolarHBondContact O-OG 2.94Å; A239-S260 VanDerWaalsContact O-OG 3.13Å; V256-S260 PolarHBondContact O-N 3.03Å; F257-S260 WeakPolarHBondContact O-CB 3.46Å; F257-S260 PolarHBondContact O-N 2.84Å; F257-S260 VanDerWaalsContact O-N 3.17Å; S260-Q262 VanDerWaalsContact C-N 3.35Å; S260-Q262 PolarHBondContact O-N 2.91Å; S260-M263 PolarHBondContact O-N 2.8Å; S260-A264 WeakPolarHBondContact O-CB 3.29Å; S260-A264 PolarHBondContact O-N 3.18Å
261	A	97.2	Very high	96.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-39.8	176.1	0	0	0	0	0	112.4	I175 L238 F257 A258 F259 A264 D265 V266 M268	I175-A261 HydrophobicContact CD1-CB 4.03Å; L238-A261 HydrophobicContact CD2-CB 3.96Å; F257-A261 PolarHBondContact O-N 2.93Å; A258-A261 PolarHBondContact O-N 2.98Å; F259-A261 VanDerWaalsContact C-N 3.32Å; F259-A261 PolarHBondContact O-N 2.94Å; A261-A264 PolarHBondContact O-N 3.36Å; A261-D265 PolarHBondContact O-N 3.15Å; A261-V266 HydrophobicContact CB-CB 4.39Å; A261-V266 WeakPolarHBondContact O-CA 3.48Å; A261-V266 PolarHBondContact O-N 2.89Å; A261-M268 HydrophobicContact CB-CE 3.98Å; A261-M268 HydrophobicContact CB-CG 4.48Å
262	Q	94.9	Very high	96.7	Very high	107 Å²	107	27.3 Å²	27.3	50%	0.5	14%	0.138	S	C	.	.	H	α-helix	trans	-61.7	-47.3	174.8	-172.8	-174.8	-45.2	0	0	111.9	A258 F259 S260 A264 D265	A258-Q262 PolarHBondContact O-N 3.14Å; F259-Q262 WeakPolarHBondContact O-CB 3.17Å; F259-Q262 PolarHBondContact O-N 2.77Å; F259-Q262 VanDerWaalsContact O-N 3.16Å; S260-Q262 VanDerWaalsContact C-N 3.35Å; S260-Q262 PolarHBondContact O-N 2.91Å; Q262-A264 PolarHBondContact O-N 3.19Å; Q262-D265 PolarHBondContact O-N 3.3Å; Q262-D265 VanDerWaalsContact O-N 3.1Å
263	M	95.5	Very high	96.8	Very high	63 Å²	63	31.7 Å²	31.7	31%	0.31	15%	0.153	S	C	.	.	H	α-helix	trans	-66.2	-26.9	178.9	-65.8	-57.4	98.8	0	0	112.8	F259 S260 D265	F259-M263 HydrophobicContact CD1-CG 3.66Å; F259-M263 HydrophobicContact CE1-CE 4.27Å; F259-M263 HydrophobicContact CE1-CG 3.31Å; F259-M263 HydrophobicContact CE1-SD 3.82Å; F259-M263 HydrophobicContact CE2-CE 4.2Å; F259-M263 HydrophobicContact CZ-CE 3.97Å; F259-M263 HydrophobicContact CZ-CG 3.96Å; F259-M263 HydrophobicContact CZ-SD 3.84Å; F259-M263 WeakPolarHBondContact O-CG 3.32Å; F259-M263 PolarHBondContact O-N 3.18Å; S260-M263 PolarHBondContact O-N 2.8Å; M263-D265 VanDerWaalsContact C-N 3.26Å; M263-D265 PolarHBondContact O-N 3.47Å
264	A	96.4	Very high	96.7	Very high	6 Å²	6	35.7 Å²	35.7	5%	0.05	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	4.6	175.1	0	0	0	0	0	113.9	Q237 L238 S260 A261 Q262 V266	Q237-A264 HydrophobicContact CB-CB 3.74Å; L238-A264 HydrophobicContact CD2-CB 3.83Å; S260-A264 WeakPolarHBondContact O-CB 3.29Å; S260-A264 PolarHBondContact O-N 3.18Å; A261-A264 PolarHBondContact O-N 3.36Å; Q262-A264 PolarHBondContact O-N 3.19Å; A264-V266 HydrophobicContact CB-CG2 3.93Å; A264-V266 PolarHBondContact O-N 2.96Å
265	D	96.3	Very high	96.6	Very high	157 Å²	157	36.6 Å²	36.6	84%	0.84	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	36.6	-171.2	-69.6	-46.4	0	0	0	113	A261 Q262 M263	A261-D265 PolarHBondContact O-N 3.15Å; Q262-D265 PolarHBondContact O-N 3.3Å; Q262-D265 VanDerWaalsContact O-N 3.1Å; M263-D265 VanDerWaalsContact C-N 3.26Å; M263-D265 PolarHBondContact O-N 3.47Å
266	V	97.9	Very high	96.6	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.055	18%	0.178	C	C	.	.			trans	-105.5	108.6	179.9	179.7	0	0	0	0	110.9	T174 I175 A234 L238 A261 A264	T174-V266 HydrophobicContact CG2-CG1 3.61Å; T174-V266 HydrophobicContact CG2-CG2 4.39Å; I175-V266 HydrophobicContact CD1-CG1 3.68Å; I175-V266 HydrophobicContact CG1-CG1 3.86Å; A234-V266 HydrophobicContact CB-CG2 3.69Å; L238-V266 HydrophobicContact CD2-CB 4.21Å; L238-V266 HydrophobicContact CD2-CG2 4.11Å; A261-V266 HydrophobicContact CB-CB 4.39Å; A261-V266 WeakPolarHBondContact O-CA 3.48Å; A261-V266 PolarHBondContact O-N 2.89Å; A264-V266 HydrophobicContact CB-CG2 3.93Å; A264-V266 PolarHBondContact O-N 2.96Å
267	Q	97.8	Very high	96.6	Very high	90 Å²	90	36.4 Å²	36.4	42%	0.421	18%	0.177	S	C	.	.			trans	-73.7	129.2	172.3	-178.2	61.6	71.6	0	0	111.7	A218 V219 F269	A218-Q267 HydrophobicContact CB-CG 3.86Å; V219-Q267 PolarHBondContact O-NE2 2.97Å; Q267-F269 HydrophobicContact CB-CE2 3.81Å; Q267-F269 HydrophobicContact CB-CZ 4.16Å; Q267-F269 HydrophobicContact CG-CD2 4.24Å; Q267-F269 HydrophobicContact CG-CE1 4.32Å; Q267-F269 HydrophobicContact CG-CE2 3.54Å; Q267-F269 HydrophobicContact CG-CZ 3.58Å; Q267-F269 WeakPolarHBondContact O-CD2 3.18Å; Q267-F269 VanDerWaalsContact O-CE2 3.31Å; Q267-F269 WeakPolarHBondContact O-CE2 3.37Å
268	M	98.6	Very high	96.5	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.025	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	150	169.9	-67.1	178.7	-91	0	0	112	I175 V219 P220 V222 A258 A261	I175-M268 HydrophobicContact CB-CG 3.95Å; I175-M268 HydrophobicContact CD1-CG 3.91Å; I175-M268 HydrophobicContact CG2-CB 4.39Å; I175-M268 HydrophobicContact CG2-CG 3.79Å; V219-M268 PolarHBondContact N-O 3.17Å; V219-M268 VanDerWaalsContact O-O 3.14Å; P220-M268 WeakPolarHBondContact O-CE 3.46Å; V222-M268 HydrophobicContact CG1-CB 4.48Å; V222-M268 HydrophobicContact CG2-CB 4.27Å; V222-M268 HydrophobicContact CG2-CG 4.37Å; V222-M268 HydrophobicContact CG2-SD 4.02Å; A258-M268 HydrophobicContact CB-CE 3.74Å; A261-M268 HydrophobicContact CB-CE 3.98Å; A261-M268 HydrophobicContact CB-CG 4.48Å
269	F	98.8	Very high	96.4	Very high	35 Å²	35	37.4 Å²	37.4	15%	0.154	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.6	-178.9	-67.2	-95.3	0	0	0	112.1	K173 I175 I176 A177 F217 A218 Q267	K173-F269 HydrophobicContact CB-CD2 3.89Å; K173-F269 HydrophobicContact CB-CE2 4.47Å; K173-F269 HydrophobicContact CB-CG 4.33Å; K173-F269 HydrophobicContact CD-CD1 4.23Å; K173-F269 HydrophobicContact CD-CD2 3.85Å; K173-F269 HydrophobicContact CD-CE1 4.21Å; K173-F269 HydrophobicContact CD-CE2 3.83Å; K173-F269 HydrophobicContact CD-CG 4.07Å; K173-F269 HydrophobicContact CD-CZ 4.02Å; K173-F269 HydrophobicContact CG-CB 4.22Å; K173-F269 HydrophobicContact CG-CD1 4.42Å; K173-F269 HydrophobicContact CG-CD2 3.85Å; K173-F269 HydrophobicContact CG-CE2 4.34Å; K173-F269 HydrophobicContact CG-CG 3.9Å; I175-F269 PolarHBondContact O-N 3.37Å; I175-F269 VanDerWaalsContact O-N 3.09Å; I176-F269 CarbonylContact C-O 3.54Å; I176-F269 VanDerWaalsContact CA-O 3.27Å; I176-F269 WeakPolarHBondContact CA-O 3.33Å; I176-F269 HydrophobicContact CB-CB 4.4Å; I176-F269 HydrophobicContact CG1-CB 4.12Å; A177-F269 PolarHBondContact N-O 3.04Å; F217-F269 CarbonylContact O-C 3.5Å; F217-F269 VanDerWaalsContact O-CA 3.23Å; F217-F269 WeakPolarHBondContact O-CA 3.41Å; A218-F269 HydrophobicContact CB-CD1 4.32Å; A218-F269 HydrophobicContact CB-CE1 3.93Å; A218-F269 HydrophobicContact CB-CZ 4.46Å; Q267-F269 HydrophobicContact CB-CE2 3.81Å; Q267-F269 HydrophobicContact CB-CZ 4.16Å; Q267-F269 HydrophobicContact CG-CD2 4.24Å; Q267-F269 HydrophobicContact CG-CE1 4.32Å; Q267-F269 HydrophobicContact CG-CE2 3.54Å; Q267-F269 HydrophobicContact CG-CZ 3.58Å; Q267-F269 WeakPolarHBondContact O-CD2 3.18Å; Q267-F269 VanDerWaalsContact O-CE2 3.31Å; Q267-F269 WeakPolarHBondContact O-CE2 3.37Å
270	V	98.6	Very high	96.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.5	166	66	0	0	0	0	109.8	M179 F189 I208 C216 F217 V219 V222	M179-V270 HydrophobicContact CB-CG2 3.79Å; M179-V270 HydrophobicContact CG-CG2 4.21Å; F189-V270 HydrophobicContact CB-CB 4.1Å; F189-V270 HydrophobicContact CB-CG1 4.43Å; F189-V270 HydrophobicContact CB-CG2 4.14Å; F189-V270 HydrophobicContact CD1-CB 4.45Å; F189-V270 HydrophobicContact CD1-CG1 4.46Å; F189-V270 HydrophobicContact CD1-CG2 3.8Å; F189-V270 HydrophobicContact CD2-CB 4.4Å; F189-V270 HydrophobicContact CD2-CG1 3.83Å; F189-V270 HydrophobicContact CE1-CG2 4.37Å; F189-V270 HydrophobicContact CE2-CG1 4.15Å; F189-V270 HydrophobicContact CG-CB 4.07Å; F189-V270 HydrophobicContact CG-CG1 3.99Å; F189-V270 HydrophobicContact CG-CG2 3.92Å; I208-V270 HydrophobicContact CG2-CG1 4.41Å; C216-V270 CarbonylContact C-O 3.57Å; C216-V270 VanDerWaalsContact CA-O 3.32Å; C216-V270 WeakPolarHBondContact CA-O 3.45Å; F217-V270 HydrophobicContact CB-CG1 4.19Å; F217-V270 HydrophobicContact CD2-CG1 4.48Å; F217-V270 PolarHBondContact N-O 3.02Å; F217-V270 PolarHBondContact O-N 3.29Å; V219-V270 HydrophobicContact CG1-CG1 3.68Å; V219-V270 HydrophobicContact CG2-CB 4.18Å; V219-V270 HydrophobicContact CG2-CG1 4.16Å; V222-V270 HydrophobicContact CG1-CB 4.35Å
271	C	98.6	Very high	96	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.2	176.6	-173.1	0	0	0	0	110.9	L168 I176 A177 M179 G215 C216 Y276	L168-C271 HydrophobicContact CD2-CB 4.17Å; I176-C271 HydrophobicContact CD1-CB 4.11Å; I176-C271 HydrophobicContact CG1-CB 4.39Å; A177-C271 PolarHBondContact O-N 2.82Å; M179-C271 VanDerWaalsContact CB-O 3.25Å; M179-C271 WeakPolarHBondContact CB-O 3.47Å; M179-C271 PolarHBondContact N-O 3.45Å; G215-C271 WeakPolarHBondContact O-CA 3.42Å; C216-C271 PolarHBondContact SG-SG 3.25Å; C271-Y276 HydrophobicContact CB-CE2 4.12Å; C271-Y276 VanDerWaalsContact O-CE2 3.23Å; C271-Y276 WeakPolarHBondContact O-CE2 3.19Å; C271-Y276 PolarHBondContact SG-OH 3.48Å
272	N	97.7	Very high	95.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.			trans	-129.3	24.3	178.3	76.3	-15.1	0	0	0	112.9	M179 I208 Q211 R213 K214 G215 F217 E274	M179-N272 HydrophobicContact CB-CB 3.84Å; M179-N272 HydrophobicContact CE-CB 3.68Å; M179-N272 HydrophobicContact CG-CB 4.32Å; M179-N272 HydrophobicContact SD-CB 3.53Å; M179-N272 VanDerWaalsContact SD-CB 3.53Å; I208-N272 PolarHBondContact O-ND2 3.09Å; Q211-N272 HydrophobicContact CG-CB 4.41Å; R213-N272 PolarHBondContact O-ND2 3.48Å; K214-N272 VanDerWaalsContact CA-OD1 3.29Å; K214-N272 WeakPolarHBondContact CA-OD1 3.49Å; G215-N272 PolarHBondContact N-OD1 3.29Å; G215-N272 PolarHBondContact O-N 2.9Å; G215-N272 PolarHBondContact O-OD1 3.43Å; F217-N272 VanDerWaalsContact CE2-OD1 3.28Å; F217-N272 WeakPolarHBondContact CE2-OD1 3.33Å; N272-E274 PolarHBondContact O-N 3.03Å
273	R	96.4	Very high	95.3	Very high	120 Å²	120	37.4 Å²	37.4	45%	0.453	19%	0.188	S	C	.	.	S	Bend	trans	-57.6	-33.6	-179.7	-68.2	-177	-177.6	-78.8	2.5	112.1	E171	E171-R273 WeakPolarHBondContact OE1-CD 3.34Å; E171-R273 IonicContact OE1-CZ 3.4Å; E171-R273 IonicContact OE1-NE 2.98Å; E171-R273 PolarHBondContact OE1-NE 3.41Å; E171-R273 IonicContact OE1-NH2 2.86Å; E171-R273 IonicContact OE2-NE 3.91Å; E171-R273 IonicContact OE2-NH2 3.9Å
274	E	92.9	Very high	94.9	Very high	93 Å²	93	40 Å²	40	44%	0.435	20%	0.195	S	C	.	.	S	Bend	trans	-139.6	168.7	-178.8	-61.2	177.6	-157.1	0	0	109.1	K167 Q211 N272 Y276	K167-E274 WeakPolarHBondContact CE-OE2 3.02Å; K167-E274 IonicContact NZ-OE2 3.95Å; K167-E274 PolarHBondContact NZ-OE2 3.35Å; Q211-E274 PolarHBondContact NE2-O 3.03Å; N272-E274 PolarHBondContact O-N 3.03Å; E274-Y276 VanDerWaalsContact O-CD2 3.24Å; E274-Y276 WeakPolarHBondContact O-CD2 3.28Å; E274-Y276 WeakPolarHBondContact O-CE2 3.45Å; E274-Y276 PolarHBondContact O-N 3.46Å
275	T	92.3	Very high	94.5	Very high	46 Å²	46	42.6 Å²	42.6	28%	0.282	21%	0.213	S	C	.	.			trans	-82.5	108.3	170.8	-59.9	0	0	0	0	108.7	E181 Q211 Y278	E181-T275 HydrophobicContact CG-CG2 4.13Å; E181-T275 WeakPolarHBondContact OE1-CB 3.13Å; E181-T275 WeakPolarHBondContact OE1-CG2 3.4Å; E181-T275 PolarHBondContact OE1-OG1 2.92Å; Q211-T275 PolarHBondContact NE2-OG1 3.33Å; T275-Y278 HydrophobicContact CG2-CE2 4.26Å
276	Y	96.1	Very high	94.1	Very high	3 Å²	3	41 Å²	41	1%	0.012	20%	0.2	C	C	.	.			trans	-88.7	-25.8	-175.3	-66.8	-72.3	0	0	0	113.8	T160 D161 V164 K167 P178 C271 E274	T160-Y276 PolarHBondContact N-O 3.21Å; D161-Y276 HydrophobicContact CB-CD1 4.3Å; D161-Y276 WeakPolarHBondContact CB-O 3.38Å; D161-Y276 PolarHBondContact N-O 2.78Å; D161-Y276 WeakPolarHBondContact OD2-CD1 3.5Å; V164-Y276 HydrophobicContact CB-CD1 4.26Å; V164-Y276 HydrophobicContact CG2-CD1 3.77Å; V164-Y276 HydrophobicContact CG2-CG 4.28Å; K167-Y276 HydrophobicContact CB-CE1 4.06Å; K167-Y276 HydrophobicContact CD-CE1 3.84Å; P178-Y276 VanDerWaalsContact CB-CB 3.49Å; P178-Y276 HydrophobicContact CB-CD1 4.27Å; P178-Y276 HydrophobicContact CB-CD2 3.76Å; P178-Y276 HydrophobicContact CB-CG 3.57Å; C271-Y276 HydrophobicContact CB-CE2 4.12Å; C271-Y276 VanDerWaalsContact O-CE2 3.23Å; C271-Y276 WeakPolarHBondContact O-CE2 3.19Å; C271-Y276 PolarHBondContact SG-OH 3.48Å; E274-Y276 VanDerWaalsContact O-CD2 3.24Å; E274-Y276 WeakPolarHBondContact O-CD2 3.28Å; E274-Y276 WeakPolarHBondContact O-CE2 3.45Å; E274-Y276 PolarHBondContact O-N 3.46Å
277	G	95.8	Very high	93.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.			trans	168.8	-173	-173.7	0	0	0	0	0	112.6	L158 T160 L180 E181	L158-G277 CarbonylContact O-C 3.42Å; L158-G277 WeakPolarHBondContact O-CA 3.2Å; T160-G277 WeakPolarHBondContact OG1-CA 3.24Å; L180-G277 WeakPolarHBondContact CA-O 3.45Å; E181-G277 PolarHBondContact N-O 3.09Å
278	Y	95.8	Very high	93.6	Very high	24 Å²	24	39.7 Å²	39.7	9%	0.094	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-130	150.5	-175.4	-62.1	-95.7	0	0	0	111.5	L158 T160 E181 T275 V303 N307	L158-Y278 PolarHBondContact N-O 3.44Å; L158-Y278 PolarHBondContact O-N 2.71Å; T160-Y278 HydrophobicContact CG2-CD2 3.59Å; T160-Y278 HydrophobicContact CG2-CE2 3.79Å; E181-Y278 HydrophobicContact CB-CD1 3.59Å; E181-Y278 HydrophobicContact CB-CE1 3.64Å; E181-Y278 HydrophobicContact CB-CG 4.42Å; E181-Y278 HydrophobicContact CG-CE1 4.44Å; E181-Y278 CarbonylContact O-C 3.59Å; E181-Y278 WeakPolarHBondContact O-CA 3.41Å; E181-Y278 WeakPolarHBondContact OE2-CE1 3.42Å; T275-Y278 HydrophobicContact CG2-CE2 4.26Å; Y278-V303 HydrophobicContact CD1-CG2 3.98Å; Y278-V303 HydrophobicContact CD2-CB 4.18Å; Y278-V303 HydrophobicContact CD2-CG1 3.95Å; Y278-V303 HydrophobicContact CD2-CG2 3.35Å; Y278-V303 HydrophobicContact CE1-CG2 4.42Å; Y278-V303 HydrophobicContact CE2-CB 4.2Å; Y278-V303 HydrophobicContact CE2-CG1 3.74Å; Y278-V303 HydrophobicContact CE2-CG2 3.85Å; Y278-V303 HydrophobicContact CG-CG2 3.45Å; Y278-V303 VanDerWaalsContact CG-CG2 3.45Å; Y278-N307 PolarHBondContact OH-ND2 2.91Å
279	I	94.9	Very high	93.4	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.026	21%	0.208	C	C	.	.			trans	-134.7	132	178.1	-177.4	166.7	0	0	0	109.5	N157 L180 E181 S182 Y186 N188	N157-I279 WeakPolarHBondContact OD1-CB 3.19Å; N157-I279 WeakPolarHBondContact OD1-CD1 3.46Å; N157-I279 WeakPolarHBondContact OD1-CG1 3.06Å; L180-I279 HydrophobicContact CB-CB 3.88Å; L180-I279 HydrophobicContact CB-CG2 3.62Å; L180-I279 HydrophobicContact CD1-CB 4Å; L180-I279 HydrophobicContact CD1-CD1 4.5Å; E181-I279 PolarHBondContact O-N 3Å; S182-I279 WeakPolarHBondContact CA-O 3.09Å; S182-I279 WeakPolarHBondContact CB-O 3.29Å; Y186-I279 HydrophobicContact CE1-CD1 4.09Å; Y186-I279 HydrophobicContact CE1-CG1 4.31Å; N188-I279 HydrophobicContact CB-CD1 4.23Å
280	P	93.3	Very high	93.2	Very high	13 Å²	13	44.8 Å²	44.8	8%	0.084	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-67	160.9	171.8	29.4	-35.5	0	0	0	111.4	D156 S299	D156-P280 HydrophobicContact CB-CG 3.93Å; D156-P280 WeakPolarHBondContact O-CD 3.47Å; D156-P280 VanDerWaalsContact OD2-CG 3.3Å; D156-P280 WeakPolarHBondContact OD2-CG 3.32Å; P280-S299 WeakPolarHBondContact CA-OG 3.48Å
281	V	89.6	Confident	92.9	Very high	14 Å²	14	45.4 Å²	45.4	9%	0.085	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-81.9	131.1	173.3	-176.8	0	0	0	0	108.5	R183 Y186 L283 E610	R183-V281 HydrophobicContact CB-CG2 4.09Å; Y186-V281 HydrophobicContact CD1-CG2 4.47Å; Y186-V281 HydrophobicContact CG-CG1 4.34Å; V281-L283 PolarHBondContact O-N 2.97Å; V281-E610 HydrophobicContact CB-CB 4.17Å; V281-E610 HydrophobicContact CB-CG 4.04Å; V281-E610 HydrophobicContact CG1-CB 3.91Å; V281-E610 HydrophobicContact CG1-CG 3.93Å
282	P	88.2	Confident	92.7	Very high	77 Å²	77	46.3 Å²	46.3	50%	0.5	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-60.4	134.4	177.6	-23.6	31.3	0	0	0	111.9	Y186	Y186-P282 HydrophobicContact CE1-CG 3.95Å; Y186-P282 HydrophobicContact CE2-CG 3.75Å; Y186-P282 WeakPolarHBondContact OH-CD 3.36Å; Y186-P282 WeakPolarHBondContact OH-CG 3.22Å
283	L	89.3	Confident	92.5	Very high	25 Å²	25	47.5 Å²	47.5	13%	0.131	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-81.2	165.6	174.2	-64.1	-177.2	0	0	0	112.2	V281 N287 D291 E292 T606 E610	V281-L283 PolarHBondContact O-N 2.97Å; L283-N287 HydrophobicContact CB-CB 3.82Å; L283-N287 HydrophobicContact CD1-CB 4Å; L283-N287 HydrophobicContact CG-CB 4.47Å; L283-D291 VanDerWaalsContact CD1-C 3.48Å; L283-D291 HydrophobicContact CD1-CB 3.89Å; L283-E292 HydrophobicContact CD1-CB 3.88Å; L283-E292 VanDerWaalsContact CD1-N 3.28Å; L283-T606 HydrophobicContact CD2-CG2 4.18Å; L283-E610 HydrophobicContact CD2-CG 4.47Å; L283-E610 VanDerWaalsContact CD2-OE1 3.24Å; L283-E610 WeakPolarHBondContact CD2-OE1 3.41Å
284	R	88.1	Confident	92.4	Very high	118 Å²	118	43 Å²	43	45%	0.445	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-79.9	164.9	178	-64.4	-174.1	167.1	173.4	3.8	111.8	K121 H286 N287 D609	K121-R284 VanDerWaalsContact CB-O 3.23Å; K121-R284 WeakPolarHBondContact CB-O 3.26Å; R284-H286 PolarHBondContact O-N 3.47Å; R284-H286 VanDerWaalsContact O-N 3.16Å; R284-N287 WeakPolarHBondContact CA-OD1 3.48Å; R284-N287 WeakPolarHBondContact CB-OD1 3.44Å; R284-N287 PolarHBondContact N-OD1 2.65Å; R284-N287 WeakPolarHBondContact O-CB 3.45Å; R284-N287 PolarHBondContact O-N 2.66Å; R284-N287 PolarHBondContact O-OD1 2.88Å; R284-D609 IonicContact CZ-OD1 3.05Å; R284-D609 IonicContact CZ-OD2 2.76Å; R284-D609 IonicContact NE-OD2 2.91Å; R284-D609 VanDerWaalsContact NH1-CG 3.26Å; R284-D609 IonicContact NH1-OD1 3.97Å; R284-D609 IonicContact NH1-OD2 3.17Å; R284-D609 PolarHBondContact NH1-OD2 2.67Å; R284-D609 VanDerWaalsContact NH2-CB 3.28Å; R284-D609 IonicContact NH2-OD1 3.27Å; R284-D609 PolarHBondContact NH2-OD1 3.45Å; R284-D609 IonicContact NH2-OD2 2.67Å; R284-D609 PolarHBondContact NH2-OD2 3.2Å
285	S	88.6	Confident	92.4	Very high	61 Å²	61	38.8 Å²	38.8	43%	0.427	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.6	-177	54.1	0	0	0	0	114.6
286	H	87.9	Confident	92.5	Very high	122 Å²	122	37 Å²	37	57%	0.565	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-4.4	-179.1	64	-92.4	0	0	0	114	R284	R284-H286 PolarHBondContact O-N 3.47Å; R284-H286 VanDerWaalsContact O-N 3.16Å
287	N	91.1	Very high	92.4	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.032	20%	0.202	C	C	.	.			trans	-74.2	152.4	179.4	-71.7	118.8	0	0	0	111.8	K121 L283 R284 D291 T606	K121-N287 HydrophobicContact CG-CB 4.34Å; K121-N287 WeakPolarHBondContact CG-O 3.44Å; L283-N287 HydrophobicContact CB-CB 3.82Å; L283-N287 HydrophobicContact CD1-CB 4Å; L283-N287 HydrophobicContact CG-CB 4.47Å; R284-N287 WeakPolarHBondContact CA-OD1 3.48Å; R284-N287 WeakPolarHBondContact CB-OD1 3.44Å; R284-N287 PolarHBondContact N-OD1 2.65Å; R284-N287 WeakPolarHBondContact O-CB 3.45Å; R284-N287 PolarHBondContact O-N 2.66Å; R284-N287 PolarHBondContact O-OD1 2.88Å; N287-D291 HydrophobicContact CB-CB 4.23Å; N287-T606 VanDerWaalsContact ND2-CG2 3.33Å; N287-T606 WeakPolarHBondContact ND2-CG2 3.31Å
288	T	93.6	Very high	92.3	Very high	66 Å²	66	38.9 Å²	38.9	41%	0.405	20%	0.204	S	C	.	.			trans	-93.8	167.1	-177.3	67.4	0	0	0	0	111.9	Q290 D291 E292	T288-Q290 PolarHBondContact O-N 2.95Å; T288-Q290 PolarHBondContact OG1-N 2.96Å; T288-D291 PolarHBondContact N-OD2 2.84Å; T288-D291 PolarHBondContact O-N 3.37Å; T288-D291 VanDerWaalsContact O-N 3.14Å; T288-D291 PolarHBondContact OG1-N 3.34Å; T288-D291 PolarHBondContact OG1-OD2 3.49Å; T288-E292 PolarHBondContact O-N 3.23Å; T288-E292 VanDerWaalsContact O-N 3.14Å
289	L	94.4	Very high	92.1	Very high	44 Å²	44	38.4 Å²	38.4	23%	0.23	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-29.2	171.6	-61.5	-172.6	0	0	0	112.9	N50 E82 D83 P120 E292 A293	N50-L289 HydrophobicContact CB-CD1 4.19Å; N50-L289 HydrophobicContact CB-CD2 3.48Å; N50-L289 VanDerWaalsContact CB-CD2 3.48Å; N50-L289 HydrophobicContact CB-CG 4.49Å; E82-L289 HydrophobicContact CB-CD1 4.22Å; D83-L289 HydrophobicContact CB-CD1 4.3Å; P120-L289 HydrophobicContact CB-CD2 3.55Å; P120-L289 HydrophobicContact CB-CG 4.13Å; P120-L289 HydrophobicContact CG-CD2 3.73Å; P120-L289 HydrophobicContact CG-CG 3.94Å; L289-E292 PolarHBondContact O-N 3.2Å; L289-A293 WeakPolarHBondContact O-CB 3.3Å; L289-A293 PolarHBondContact O-N 2.83Å
290	Q	94	Very high	92.1	Very high	104 Å²	104	38.2 Å²	38.2	49%	0.486	20%	0.204	S	C	.	.	H	α-helix	trans	-68.5	-39.1	174.7	-177.2	58.1	55.2	0	0	111.1	T288 E292 A293 D294	T288-Q290 PolarHBondContact O-N 2.95Å; T288-Q290 PolarHBondContact OG1-N 2.96Å; Q290-E292 VanDerWaalsContact C-N 3.3Å; Q290-E292 PolarHBondContact O-N 3.1Å; Q290-A293 PolarHBondContact O-N 3.27Å; Q290-D294 PolarHBondContact NE2-OD1 3.4Å; Q290-D294 PolarHBondContact NE2-OD2 2.88Å; Q290-D294 VanDerWaalsContact O-CG 3.27Å; Q290-D294 PolarHBondContact O-N 2.92Å
291	D	93.4	Very high	92.1	Very high	12 Å²	12	38.2 Å²	38.2	6%	0.064	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-39	176.2	-54.9	-39.1	0	0	0	110.7	L283 N287 T288 D294 S295 F431 R434	L283-D291 VanDerWaalsContact CD1-C 3.48Å; L283-D291 HydrophobicContact CD1-CB 3.89Å; N287-D291 HydrophobicContact CB-CB 4.23Å; T288-D291 PolarHBondContact N-OD2 2.84Å; T288-D291 PolarHBondContact O-N 3.37Å; T288-D291 VanDerWaalsContact O-N 3.14Å; T288-D291 PolarHBondContact OG1-N 3.34Å; T288-D291 PolarHBondContact OG1-OD2 3.49Å; D291-D294 PolarHBondContact O-N 3.01Å; D291-S295 WeakPolarHBondContact O-CB 3.43Å; D291-S295 PolarHBondContact O-N 3Å; D291-F431 HydrophobicContact CB-CE1 4.06Å; D291-F431 HydrophobicContact CB-CZ 4.38Å; D291-F431 WeakPolarHBondContact O-CE1 3.24Å; D291-R434 IonicContact OD1-CZ 2.91Å; D291-R434 IonicContact OD1-NH1 3.63Å; D291-R434 PolarHBondContact OD1-NH1 3.37Å; D291-R434 IonicContact OD1-NH2 3.23Å; D291-R434 PolarHBondContact OD1-NH2 2.83Å; D291-R434 VanDerWaalsContact OD1-NH2 3.13Å
292	E	93.2	Very high	92	Very high	20 Å²	20	39.7 Å²	39.7	9%	0.093	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-44.7	174.8	-170.1	171.9	-162.5	0	0	112.2	H53 K121 L283 T288 L289 Q290 D294 S295 F296	H53-E292 IonicContact CE1-OE1 3.92Å; K121-E292 VanDerWaalsContact CD-OE2 3.29Å; K121-E292 WeakPolarHBondContact CD-OE2 3.36Å; K121-E292 WeakPolarHBondContact CE-OE2 3.27Å; K121-E292 IonicContact NZ-OE1 3.83Å; K121-E292 PolarHBondContact NZ-OE1 3.26Å; K121-E292 IonicContact NZ-OE2 3.34Å; K121-E292 PolarHBondContact NZ-OE2 2.68Å; L283-E292 HydrophobicContact CD1-CB 3.88Å; L283-E292 VanDerWaalsContact CD1-N 3.28Å; T288-E292 PolarHBondContact O-N 3.23Å; T288-E292 VanDerWaalsContact O-N 3.14Å; L289-E292 PolarHBondContact O-N 3.2Å; Q290-E292 VanDerWaalsContact C-N 3.3Å; Q290-E292 PolarHBondContact O-N 3.1Å; E292-D294 VanDerWaalsContact C-N 3.31Å; E292-D294 PolarHBondContact O-N 2.85Å; E292-S295 PolarHBondContact O-N 3.05Å; E292-F296 WeakPolarHBondContact O-CB 3.23Å; E292-F296 PolarHBondContact O-N 3.19Å
293	A	94.9	Very high	92.1	Very high	24 Å²	24	36.1 Å²	36.1	20%	0.198	19%	0.185	C	C	.	.	H	α-helix	trans	-60.3	-40.4	176	0	0	0	0	0	112.4	H53 L289 Q290 L297	H53-A293 HydrophobicContact CB-CB 3.63Å; L289-A293 WeakPolarHBondContact O-CB 3.3Å; L289-A293 PolarHBondContact O-N 2.83Å; Q290-A293 PolarHBondContact O-N 3.27Å; A293-L297 VanDerWaalsContact O-CB 3.27Å; A293-L297 WeakPolarHBondContact O-CB 3.43Å; A293-L297 PolarHBondContact O-N 2.89Å
294	D	93.3	Very high	92.1	Very high	27 Å²	27	35.7 Å²	35.7	14%	0.144	18%	0.183	C	C	.	.	H	α-helix	trans	-71.2	-38.8	178.2	-67.2	-26.5	0	0	0	112.2	Q290 D291 E292 L297 H298 F431 R434	Q290-D294 PolarHBondContact NE2-OD1 3.4Å; Q290-D294 PolarHBondContact NE2-OD2 2.88Å; Q290-D294 VanDerWaalsContact O-CG 3.27Å; Q290-D294 PolarHBondContact O-N 2.92Å; D291-D294 PolarHBondContact O-N 3.01Å; E292-D294 VanDerWaalsContact C-N 3.31Å; E292-D294 PolarHBondContact O-N 2.85Å; D294-L297 PolarHBondContact O-N 2.84Å; D294-H298 PolarHBondContact O-N 2.73Å; D294-F431 HydrophobicContact CB-CD1 3.43Å; D294-F431 VanDerWaalsContact CB-CD1 3.43Å; D294-F431 HydrophobicContact CB-CE1 3.64Å; D294-R434 WeakPolarHBondContact OD2-CD 3.12Å; D294-R434 IonicContact OD2-CZ 3.56Å; D294-R434 IonicContact OD2-NE 3.12Å; D294-R434 IonicContact OD2-NH1 2.7Å; D294-R434 PolarHBondContact OD2-NH1 3.41Å
295	S	92.5	Very high	91.9	Very high	4 Å²	4	31 Å²	31	3%	0.028	17%	0.167	C	C	.	.	H	α-helix	trans	-67.4	-41.6	175.8	-172.8	0	0	0	0	111.8	D291 E292 H298 S299 E610	D291-S295 WeakPolarHBondContact O-CB 3.43Å; D291-S295 PolarHBondContact O-N 3Å; E292-S295 PolarHBondContact O-N 3.05Å; S295-H298 PolarHBondContact O-N 2.95Å; S295-S299 PolarHBondContact O-N 2.94Å; S295-S299 VanDerWaalsContact O-N 3.09Å; S295-S299 PolarHBondContact O-OG 2.73Å; S295-E610 PolarHBondContact OG-OE1 3.43Å
296	F	95.1	Very high	91.6	Very high	7 Å²	7	36.6 Å²	36.6	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-41.9	172.3	178.7	-94.1	0	0	0	112.1	H53 S54 Y57 D156 L158 E292 H298 S299 L300	H53-F296 VanDerWaalsContact CD2-CB 3.46Å; H53-F296 WeakPolarHBondContact CD2-CB 3.11Å; H53-F296 AromaticContact CD2-CD1 3.94Å; H53-F296 AromaticContact CD2-CG 3.65Å; S54-F296 VanDerWaalsContact CB-CE2 3.4Å; Y57-F296 HydrophobicContact CD2-CE1 4.08Å; D156-F296 HydrophobicContact CB-CD2 4.3Å; D156-F296 HydrophobicContact CB-CE2 4.46Å; L158-F296 HydrophobicContact CD1-CE2 4.19Å; L158-F296 HydrophobicContact CD1-CZ 4.22Å; L158-F296 HydrophobicContact CD2-CE2 4.22Å; L158-F296 HydrophobicContact CD2-CZ 4.01Å; L158-F296 HydrophobicContact CG-CE2 4.21Å; L158-F296 HydrophobicContact CG-CZ 4.39Å; E292-F296 WeakPolarHBondContact O-CB 3.23Å; E292-F296 PolarHBondContact O-N 3.19Å; F296-H298 VanDerWaalsContact C-N 3.3Å; F296-H298 PolarHBondContact O-N 2.83Å; F296-S299 WeakPolarHBondContact O-CB 3.47Å; F296-S299 PolarHBondContact O-N 2.89Å; F296-S299 VanDerWaalsContact O-N 3.11Å; F296-L300 PolarHBondContact O-N 2.93Å
297	L	94.8	Very high	91.4	Very high	33 Å²	33	33.3 Å²	33.3	17%	0.173	17%	0.166	C	C	.	.	H	α-helix	trans	-58.3	-43.9	176.1	173.7	59	0	0	0	111.1	A293 D294 S299 L300 L301 E352 Q353	A293-L297 VanDerWaalsContact O-CB 3.27Å; A293-L297 WeakPolarHBondContact O-CB 3.43Å; A293-L297 PolarHBondContact O-N 2.89Å; D294-L297 PolarHBondContact O-N 2.84Å; L297-S299 VanDerWaalsContact C-N 3.34Å; L297-S299 PolarHBondContact O-N 3.48Å; L297-L300 HydrophobicContact CD1-CD2 4.44Å; L297-L300 WeakPolarHBondContact O-CB 3.33Å; L297-L300 PolarHBondContact O-N 2.66Å; L297-L301 HydrophobicContact CD1-CD1 4.4Å; L297-L301 HydrophobicContact CD1-CG 4.2Å; L297-L301 HydrophobicContact CG-CD1 4.42Å; L297-L301 VanDerWaalsContact O-CG 3.3Å; L297-L301 WeakPolarHBondContact O-CG 3.38Å; L297-L301 PolarHBondContact O-N 2.82Å; L297-E352 HydrophobicContact CD1-CB 3.73Å; L297-Q353 HydrophobicContact CD2-CG 3.96Å
298	H	92.6	Very high	91.1	Very high	11 Å²	11	38.3 Å²	38.3	5%	0.051	20%	0.198	C	C	.	.	H	α-helix	trans	-58.2	-46.9	173.6	174.5	73.3	0	0	0	111.7	D294 S295 F296 L300 L301 E302 F428 V430	D294-H298 PolarHBondContact O-N 2.73Å; S295-H298 PolarHBondContact O-N 2.95Å; F296-H298 VanDerWaalsContact C-N 3.3Å; F296-H298 PolarHBondContact O-N 2.83Å; H298-L300 VanDerWaalsContact C-N 3.31Å; H298-L300 PolarHBondContact O-N 3Å; H298-L301 PolarHBondContact O-N 3.15Å; H298-L301 VanDerWaalsContact O-N 3.09Å; H298-E302 IonicContact CE1-OE1 2.66Å; H298-E302 PolarHBondContact O-N 3.44Å; H298-F428 PolarHBondContact CE1-O 2.77Å; H298-F428 PolarHBondContact ND1-O 3.18Å; H298-V430 HydrophobicContact CB-CB 4.18Å; H298-V430 HydrophobicContact CB-CG2 4.11Å; H298-V430 PolarHBondContact ND1-N 2.96Å
299	S	92.5	Very high	90.8	Very high	13 Å²	13	36.9 Å²	36.9	9%	0.091	19%	0.191	C	C	.	.	H	α-helix	trans	-57.8	-43.4	177.1	-59.8	0	0	0	0	112.1	P280 S295 F296 L297 L301 E302 V303	P280-S299 WeakPolarHBondContact CA-OG 3.48Å; S295-S299 PolarHBondContact O-N 2.94Å; S295-S299 VanDerWaalsContact O-N 3.09Å; S295-S299 PolarHBondContact O-OG 2.73Å; F296-S299 WeakPolarHBondContact O-CB 3.47Å; F296-S299 PolarHBondContact O-N 2.89Å; F296-S299 VanDerWaalsContact O-N 3.11Å; L297-S299 VanDerWaalsContact C-N 3.34Å; L297-S299 PolarHBondContact O-N 3.48Å; S299-L301 PolarHBondContact O-N 3.08Å; S299-E302 PolarHBondContact O-N 3.34Å; S299-V303 VanDerWaalsContact O-CG2 3.28Å; S299-V303 WeakPolarHBondContact O-CG2 3.44Å; S299-V303 PolarHBondContact O-N 3.44Å; S299-V303 VanDerWaalsContact O-N 3.14Å
300	L	94.1	Very high	90.7	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-60.3	-42.5	174.8	176.1	67.7	0	0	0	112.2	Y57 F296 L297 H298 V303 N304 L310 E352	Y57-L300 HydrophobicContact CD1-CD1 3.75Å; Y57-L300 HydrophobicContact CD1-CD2 4.25Å; Y57-L300 HydrophobicContact CD2-CD1 4.31Å; Y57-L300 HydrophobicContact CD2-CD2 3.74Å; Y57-L300 HydrophobicContact CE1-CD1 4.08Å; Y57-L300 HydrophobicContact CE1-CD2 3.98Å; Y57-L300 HydrophobicContact CE2-CD2 3.4Å; Y57-L300 HydrophobicContact CG-CD1 3.88Å; Y57-L300 HydrophobicContact CG-CD2 4.14Å; F296-L300 PolarHBondContact O-N 2.93Å; L297-L300 HydrophobicContact CD1-CD2 4.44Å; L297-L300 WeakPolarHBondContact O-CB 3.33Å; L297-L300 PolarHBondContact O-N 2.66Å; H298-L300 VanDerWaalsContact C-N 3.31Å; H298-L300 PolarHBondContact O-N 3Å; L300-V303 PolarHBondContact O-N 3.01Å; L300-N304 VanDerWaalsContact O-CG 3.23Å; L300-N304 PolarHBondContact O-N 3.27Å; L300-N304 PolarHBondContact O-ND2 3.38Å; L300-N304 PolarHBondContact O-OD1 2.93Å; L300-L310 HydrophobicContact CD1-CB 3.85Å; L300-L310 HydrophobicContact CD1-CD1 4Å; L300-E352 HydrophobicContact CD2-CG 4.48Å
301	L	93	Very high	90.6	Very high	12 Å²	12	36.1 Å²	36.1	6%	0.063	19%	0.187	C	C	.	.	H	α-helix	trans	-67.5	-39	178.4	-66.1	-179.6	0	0	0	111.9	L297 H298 S299 V303 N304 V305 A349 E352 Q353 F428	L297-L301 HydrophobicContact CD1-CD1 4.4Å; L297-L301 HydrophobicContact CD1-CG 4.2Å; L297-L301 HydrophobicContact CG-CD1 4.42Å; L297-L301 VanDerWaalsContact O-CG 3.3Å; L297-L301 WeakPolarHBondContact O-CG 3.38Å; L297-L301 PolarHBondContact O-N 2.82Å; H298-L301 PolarHBondContact O-N 3.15Å; H298-L301 VanDerWaalsContact O-N 3.09Å; S299-L301 PolarHBondContact O-N 3.08Å; L301-V303 VanDerWaalsContact C-N 3.34Å; L301-V303 PolarHBondContact O-N 3.46Å; L301-N304 WeakPolarHBondContact O-CB 3.4Å; L301-N304 PolarHBondContact O-N 3.11Å; L301-N304 VanDerWaalsContact O-N 3.09Å; L301-V305 PolarHBondContact O-N 3Å; L301-A349 HydrophobicContact CD2-CB 3.79Å; L301-E352 HydrophobicContact CD2-CB 4.17Å; L301-Q353 HydrophobicContact CD1-CG 3.86Å; L301-F428 HydrophobicContact CD1-CD2 4.31Å
302	E	88.4	Confident	90.7	Very high	46 Å²	46	37.3 Å²	37.3	22%	0.215	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-38.4	176.2	-75.8	-59.5	106.3	0	0	112.1	H298 S299 N304 V305 R427	H298-E302 IonicContact CE1-OE1 2.66Å; H298-E302 PolarHBondContact O-N 3.44Å; S299-E302 PolarHBondContact O-N 3.34Å; E302-N304 PolarHBondContact O-N 3.35Å; E302-V305 WeakPolarHBondContact O-CB 3.32Å; E302-V305 PolarHBondContact O-N 3.42Å; E302-V305 VanDerWaalsContact O-N 3.13Å; E302-R427 VanDerWaalsContact OE1-CD 3.28Å; E302-R427 WeakPolarHBondContact OE1-CD 2.96Å; E302-R427 IonicContact OE2-CZ 3.81Å; E302-R427 IonicContact OE2-NH1 3.83Å; E302-R427 PolarHBondContact OE2-NH1 3.45Å
303	V	90.5	Very high	90.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-54.8	-42.7	173	-178.3	0	0	0	0	110.7	L158 T160 Y278 S299 L300 L301 V305 N307 L310	L158-V303 HydrophobicContact CD1-CG2 4.15Å; T160-V303 HydrophobicContact CG2-CG1 3.93Å; Y278-V303 HydrophobicContact CD1-CG2 3.98Å; Y278-V303 HydrophobicContact CD2-CB 4.18Å; Y278-V303 HydrophobicContact CD2-CG1 3.95Å; Y278-V303 HydrophobicContact CD2-CG2 3.35Å; Y278-V303 HydrophobicContact CE1-CG2 4.42Å; Y278-V303 HydrophobicContact CE2-CB 4.2Å; Y278-V303 HydrophobicContact CE2-CG1 3.74Å; Y278-V303 HydrophobicContact CE2-CG2 3.85Å; Y278-V303 HydrophobicContact CG-CG2 3.45Å; Y278-V303 VanDerWaalsContact CG-CG2 3.45Å; S299-V303 VanDerWaalsContact O-CG2 3.28Å; S299-V303 WeakPolarHBondContact O-CG2 3.44Å; S299-V303 PolarHBondContact O-N 3.44Å; S299-V303 VanDerWaalsContact O-N 3.14Å; L300-V303 PolarHBondContact O-N 3.01Å; L301-V303 VanDerWaalsContact C-N 3.34Å; L301-V303 PolarHBondContact O-N 3.46Å; V303-V305 PolarHBondContact O-N 3.25Å; V303-N307 HydrophobicContact CG1-CB 4.17Å; V303-N307 VanDerWaalsContact O-CB 3.27Å; V303-N307 WeakPolarHBondContact O-CB 3.4Å; V303-N307 PolarHBondContact O-N 2.49Å; V303-N307 PolarHBondContact O-ND2 3.49Å; V303-L310 HydrophobicContact CB-CD1 4.12Å; V303-L310 HydrophobicContact CG1-CD1 3.76Å; V303-L310 HydrophobicContact CG1-CG 3.94Å; V303-L310 HydrophobicContact CG2-CD1 4.1Å
304	N	87.3	Confident	90.9	Very high	17 Å²	17	43 Å²	43	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-76.2	-4.7	-174.4	-56.9	-23.4	0	0	0	113.5	L300 L301 E302 P309 L310	L300-N304 VanDerWaalsContact O-CG 3.23Å; L300-N304 PolarHBondContact O-N 3.27Å; L300-N304 PolarHBondContact O-ND2 3.38Å; L300-N304 PolarHBondContact O-OD1 2.93Å; L301-N304 WeakPolarHBondContact O-CB 3.4Å; L301-N304 PolarHBondContact O-N 3.11Å; L301-N304 VanDerWaalsContact O-N 3.09Å; E302-N304 PolarHBondContact O-N 3.35Å; N304-P309 VanDerWaalsContact OD1-CA 3.26Å; N304-P309 WeakPolarHBondContact OD1-CA 3.5Å; N304-L310 PolarHBondContact OD1-N 3.11Å
305	V	85.6	Confident	91	Very high	18 Å²	18	44.2 Å²	44.2	11%	0.109	22%	0.219	C	C	.	.	H	α-helix	trans	-71.6	-45.1	175	176.6	0	0	0	0	110.7	L301 E302 V303 R427 T547	L301-V305 PolarHBondContact O-N 3Å; E302-V305 WeakPolarHBondContact O-CB 3.32Å; E302-V305 PolarHBondContact O-N 3.42Å; E302-V305 VanDerWaalsContact O-N 3.13Å; V303-V305 PolarHBondContact O-N 3.25Å; V305-R427 HydrophobicContact CG2-CB 4.07Å; V305-T547 HydrophobicContact CG1-CG2 3.92Å; V305-T547 HydrophobicContact CG2-CG2 4.46Å
306	R	80.5	Confident	91.1	Very high	180 Å²	180	44.8 Å²	44.8	68%	0.679	22%	0.222	S	C	*	.	H	α-helix	trans	-111.2	-13.8	-175.6	-64.9	-176	175.9	179.9	-2.4	114
307	N	84.3	Confident	90.8	Very high	53 Å²	53	54.2 Å²	54.2	28%	0.283	26%	0.257	S	S	.	.	S	Bend	trans	-121	158.4	-177.4	-53.5	-80.8	0	0	0	111.6	Y278 V303	Y278-N307 PolarHBondContact OH-ND2 2.91Å; V303-N307 HydrophobicContact CG1-CB 4.17Å; V303-N307 VanDerWaalsContact O-CB 3.27Å; V303-N307 WeakPolarHBondContact O-CB 3.4Å; V303-N307 PolarHBondContact O-N 2.49Å; V303-N307 PolarHBondContact O-ND2 3.49Å
308	P	85.4	Confident	90.2	Very high	110 Å²	110	55 Å²	55	71%	0.714	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-54.1	145.5	168.7	-24.6	34.5	0	0	0	111.3	L310	P308-L310 PolarHBondContact O-N 3.3Å
309	P	87.4	Confident	89.8	Confident	37 Å²	37	59 Å²	59	24%	0.24	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-58.7	134	-175.5	-31.6	40.3	0	0	0	113.5	N304 M311	N304-P309 VanDerWaalsContact OD1-CA 3.26Å; N304-P309 WeakPolarHBondContact OD1-CA 3.5Å; P309-M311 PolarHBondContact O-N 3.21Å
310	L	91.5	Very high	89.5	Confident	22 Å²	22	69.8 Å²	69.8	12%	0.115	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-66.9	129.4	175	-75.4	175.2	0	0	0	110.6	Y57 T61 L158 T160 L300 V303 N304 P308	Y57-L310 HydrophobicContact CD1-CB 4.2Å; Y57-L310 WeakPolarHBondContact CE1-O 3.39Å; T61-L310 HydrophobicContact CG2-CD2 4.27Å; L158-L310 HydrophobicContact CB-CD1 4.14Å; L158-L310 HydrophobicContact CD1-CD1 3.73Å; L158-L310 HydrophobicContact CD2-CD1 4.18Å; L158-L310 HydrophobicContact CG-CD1 4.24Å; T160-L310 HydrophobicContact CG2-CD1 4.26Å; T160-L310 HydrophobicContact CG2-CD2 4.09Å; L300-L310 HydrophobicContact CD1-CB 3.85Å; L300-L310 HydrophobicContact CD1-CD1 4Å; V303-L310 HydrophobicContact CB-CD1 4.12Å; V303-L310 HydrophobicContact CG1-CD1 3.76Å; V303-L310 HydrophobicContact CG1-CG 3.94Å; V303-L310 HydrophobicContact CG2-CD1 4.1Å; N304-L310 PolarHBondContact OD1-N 3.11Å; P308-L310 PolarHBondContact O-N 3.3Å
311	M	91.9	Very high	89.3	Confident	109 Å²	109	71.9 Å²	71.9	54%	0.537	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-94.4	138.3	179	-61.2	-58.1	-64.3	0	0	109.9	R64 P309	R64-M311 PolarHBondContact NH1-O 2.92Å; R64-M311 PolarHBondContact NH2-O 3.46Å; P309-M311 PolarHBondContact O-N 3.21Å
312	P	95.3	Very high	89.3	Confident	37 Å²	37	79.9 Å²	79.9	24%	0.24	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-63.9	166.6	172.4	28.8	-34.7	0	0	0	111.1	P56 Y57 K314 V318	P56-P312 HydrophobicContact CB-CB 4.09Å; P56-P312 CarbonylContact O-C 3.6Å; P56-P312 WeakPolarHBondContact O-CA 3.49Å; Y57-P312 HydrophobicContact CD1-CB 4.48Å; Y57-P312 HydrophobicContact CE1-CB 4.31Å; P312-K314 PolarHBondContact O-N 2.73Å; P312-V318 HydrophobicContact CB-CG2 3.63Å; P312-V318 HydrophobicContact CG-CG2 3.91Å
313	S	96.8	Very high	89.7	Confident	4 Å²	4	81.1 Å²	81.1	3%	0.028	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-53.3	134	170.3	163.3	0	0	0	0	109.9	P56 E63 Y315 I316	P56-S313 PolarHBondContact O-N 3.12Å; E63-S313 WeakPolarHBondContact OE1-CB 3.33Å; E63-S313 PolarHBondContact OE1-OG 3.33Å; S313-Y315 PolarHBondContact O-N 3.45Å; S313-Y315 PolarHBondContact OG-N 3.22Å; S313-Y315 VanDerWaalsContact OG-N 3.08Å; S313-I316 PolarHBondContact OG-N 3.24Å
314	K	95.9	Very high	90	Very high	159 Å²	159	84.4 Å²	84.4	69%	0.691	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-10.2	175.4	67.8	-179.9	-175.4	172.9	0	112.6	E63 P312	E63-K314 PolarHBondContact OE2-N 3.39Å; P312-K314 PolarHBondContact O-N 2.73Å
315	Y	96.1	Very high	90.5	Very high	53 Å²	53	86.8 Å²	86.8	21%	0.208	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-6.7	-177.6	-61.2	-68.3	0	0	0	112.8	E63 K95 V96 L99 S313	E63-Y315 VanDerWaalsContact CD-CD2 3.5Å; E63-Y315 HydrophobicContact CG-CD2 4.12Å; E63-Y315 HydrophobicContact CG-CE2 4.19Å; E63-Y315 WeakPolarHBondContact OE1-CD2 3.42Å; K95-Y315 HydrophobicContact CB-CD1 3.99Å; K95-Y315 HydrophobicContact CB-CG 4.29Å; K95-Y315 WeakPolarHBondContact CD-O 3.45Å; K95-Y315 WeakPolarHBondContact CE-O 3.44Å; K95-Y315 PolarHBondContact NZ-O 3.23Å; V96-Y315 HydrophobicContact CG1-CD1 4.37Å; V96-Y315 HydrophobicContact CG1-CD2 3.32Å; V96-Y315 HydrophobicContact CG1-CE2 3.66Å; V96-Y315 HydrophobicContact CG1-CG 3.72Å; L99-Y315 HydrophobicContact CD1-CE1 4.41Å; L99-Y315 HydrophobicContact CD1-CE2 4.11Å; L99-Y315 WeakPolarHBondContact CD1-OH 3.43Å; S313-Y315 PolarHBondContact O-N 3.45Å; S313-Y315 PolarHBondContact OG-N 3.22Å; S313-Y315 VanDerWaalsContact OG-N 3.08Å
316	I	94.3	Very high	91	Very high	16 Å²	16	86.7 Å²	86.7	8%	0.082	41%	0.41	C	S	.	.	S	Bend	trans	-114.4	155.4	173.8	72.5	177.3	0	0	0	111.1	P56 L59 I88 W92 S313 V318	P56-I316 VanDerWaalsContact CA-CD1 3.46Å; P56-I316 HydrophobicContact CB-CD1 3.77Å; P56-I316 HydrophobicContact CG-CD1 3.84Å; L59-I316 HydrophobicContact CD1-CG2 4.49Å; I88-I316 HydrophobicContact CG2-CD1 3.87Å; I88-I316 HydrophobicContact CG2-CG2 4.28Å; W92-I316 HydrophobicContact CB-CG2 3.65Å; W92-I316 HydrophobicContact CG-CG2 4.21Å; S313-I316 PolarHBondContact OG-N 3.24Å; I316-V318 PolarHBondContact O-N 3.04Å
317	R	87.7	Confident	91.8	Very high	206 Å²	206	81.6 Å²	81.6	78%	0.777	41%	0.414	S	S	*	.			trans	-84.9	113.9	171.9	-174	176.4	178.5	175.5	-2	109.9
318	V	83.8	Confident	92.5	Very high	50 Å²	50	79.7 Å²	79.7	30%	0.303	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-79.1	128.8	169.6	-174.1	0	0	0	0	109.4	P56 P312 I316	P56-V318 HydrophobicContact CB-CG2 4.18Å; P312-V318 HydrophobicContact CB-CG2 3.63Å; P312-V318 HydrophobicContact CG-CG2 3.91Å; I316-V318 PolarHBondContact O-N 3.04Å
319	P	83	Confident	93.1	Very high	95 Å²	95	77.8 Å²	77.8	62%	0.617	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-55.5	142	175.4	-26.6	35	0	0	0	112.2	K321	P319-K321 PolarHBondContact O-N 3.31Å
320	R	86.5	Confident	93.6	Very high	238 Å²	238	76.7 Å²	76.7	90%	0.898	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-67.2	122.5	174	-79.2	-174.2	170.1	165.7	-3	109.4
321	K	90.8	Very high	93.9	Very high	46 Å²	46	75.6 Å²	75.6	20%	0.2	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-73	135.6	173.9	-64.4	-167.4	177.4	92.1	0	109.5	P319 P323 H351 E352 K354	P319-K321 PolarHBondContact O-N 3.31Å; K321-P323 WeakPolarHBondContact O-CD 3.28Å; K321-H351 WeakPolarHBondContact CD-O 3.21Å; K321-E352 WeakPolarHBondContact CE-OE2 3.11Å; K321-E352 IonicContact NZ-OE1 3.55Å; K321-E352 PolarHBondContact NZ-OE1 3.41Å; K321-E352 IonicContact NZ-OE2 2.99Å; K321-E352 PolarHBondContact NZ-OE2 3.11Å; K321-K354 HydrophobicContact CB-CG 4.19Å; K321-K354 HydrophobicContact CD-CG 4.2Å; K321-K354 HydrophobicContact CG-CG 4.39Å
322	K	92.9	Very high	94.3	Very high	180 Å²	180	70.4 Å²	70.4	78%	0.783	35%	0.347	S	S	*	.			trans	-107.3	100.8	173.8	-68.5	-176.1	-178.3	179.4	0	107.7
323	P	95.8	Very high	94.4	Very high	72 Å²	72	68.7 Å²	68.7	47%	0.468	34%	0.336	S	S	.	.			trans	-75.9	148	-179.2	32	-34.9	0	0	0	111.1	K321 K354 A356	K321-P323 WeakPolarHBondContact O-CD 3.28Å; P323-K354 WeakPolarHBondContact CA-O 2.88Å; P323-A356 HydrophobicContact CB-CB 3.98Å; P323-A356 HydrophobicContact CG-CB 4.42Å
324	D	97.1	Very high	94.5	Very high	71 Å²	71	69.1 Å²	69.1	38%	0.38	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-131.9	174	175	61.8	56	0	0	0	110.3	M326 K354 I355 A356 K433	D324-M326 PolarHBondContact OD1-N 2.63Å; D324-K354 PolarHBondContact N-O 2.95Å; D324-K354 VanDerWaalsContact N-O 3.09Å; D324-I355 CarbonylContact O-C 3.57Å; D324-I355 WeakPolarHBondContact O-CA 3.33Å; D324-A356 PolarHBondContact O-N 3.26Å; D324-K433 WeakPolarHBondContact OD1-CE 3.47Å; D324-K433 IonicContact OD1-NZ 3.58Å; D324-K433 PolarHBondContact OD1-NZ 2.95Å; D324-K433 IonicContact OD2-NZ 3.47Å; D324-K433 PolarHBondContact OD2-NZ 3.1Å
325	K	97.9	Very high	94.5	Very high	67 Å²	67	61.7 Å²	61.7	29%	0.291	31%	0.306	S	S	.	.			trans	-100.6	19.2	178.1	-59.9	-174.2	-174.3	-172	0	113	G327 F328 D329 E330 V331 A356	K325-G327 PolarHBondContact O-N 2.58Å; K325-F328 VanDerWaalsContact CB-O 3.26Å; K325-F328 WeakPolarHBondContact CB-O 3.15Å; K325-F328 WeakPolarHBondContact O-CB 3.39Å; K325-F328 WeakPolarHBondContact O-CD2 3.42Å; K325-F328 PolarHBondContact O-N 2.79Å; K325-D329 WeakPolarHBondContact CD-O 3.29Å; K325-D329 PolarHBondContact NZ-O 2.94Å; K325-E330 WeakPolarHBondContact CE-OE1 3.46Å; K325-E330 IonicContact NZ-OE1 3.4Å; K325-E330 PolarHBondContact NZ-OE1 2.64Å; K325-E330 IonicContact NZ-OE2 2.78Å; K325-E330 PolarHBondContact NZ-OE2 3.08Å; K325-V331 HydrophobicContact CB-CG2 4.14Å; K325-A356 HydrophobicContact CG-CB 4.15Å
326	M	96.8	Very high	94.4	Very high	15 Å²	15	60.2 Å²	60.2	7%	0.074	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	56	18.2	177.5	-61.8	172.3	-62.7	0	0	116.1	D324 F328 V331 I355 L420 K433 L436 M437	D324-M326 PolarHBondContact OD1-N 2.63Å; M326-F328 HydrophobicContact CB-CD2 4.02Å; M326-F328 HydrophobicContact CB-CE2 4.04Å; M326-F328 HydrophobicContact CE-CD2 4.27Å; M326-F328 HydrophobicContact CE-CE2 4.13Å; M326-V331 HydrophobicContact CE-CG2 4.31Å; M326-I355 HydrophobicContact CE-CD1 4.02Å; M326-I355 HydrophobicContact CE-CG1 4.17Å; M326-I355 HydrophobicContact CE-CG2 3.85Å; M326-I355 HydrophobicContact SD-CD1 3.83Å; M326-I355 HydrophobicContact SD-CG1 3.93Å; M326-L420 HydrophobicContact CE-CD2 3.58Å; M326-K433 HydrophobicContact CG-CD 4.22Å; M326-K433 HydrophobicContact CG-CG 4.06Å; M326-K433 HydrophobicContact SD-CB 4.39Å; M326-K433 HydrophobicContact SD-CD 4.23Å; M326-K433 HydrophobicContact SD-CG 3.77Å; M326-L436 HydrophobicContact CE-CD2 3.91Å; M326-L436 HydrophobicContact SD-CD2 4.06Å; M326-M437 HydrophobicContact CB-CG 4.04Å; M326-M437 HydrophobicContact CB-SD 4.4Å; M326-M437 HydrophobicContact CG-CG 4.3Å; M326-M437 HydrophobicContact CG-SD 4.29Å
327	G	96.3	Very high	94.5	Very high	74 Å²	74	62.8 Å²	62.8	76%	0.763	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.4	-9.8	-174.4	0	0	0	0	0	114.7	K325	K325-G327 PolarHBondContact O-N 2.58Å
328	F	98.4	Very high	94.7	Very high	12 Å²	12	58.5 Å²	58.5	5%	0.053	30%	0.303	C	S	.	.			trans	-74.7	149.5	172	-57.3	-74.2	0	0	0	111.5	K325 M326 E330 V331 L420 L436 M440 M488	K325-F328 VanDerWaalsContact CB-O 3.26Å; K325-F328 WeakPolarHBondContact CB-O 3.15Å; K325-F328 WeakPolarHBondContact O-CB 3.39Å; K325-F328 WeakPolarHBondContact O-CD2 3.42Å; K325-F328 PolarHBondContact O-N 2.79Å; M326-F328 HydrophobicContact CB-CD2 4.02Å; M326-F328 HydrophobicContact CB-CE2 4.04Å; M326-F328 HydrophobicContact CE-CD2 4.27Å; M326-F328 HydrophobicContact CE-CE2 4.13Å; F328-E330 VanDerWaalsContact C-N 3.29Å; F328-E330 PolarHBondContact O-N 3.16Å; F328-V331 HydrophobicContact CB-CG2 4.39Å; F328-V331 HydrophobicContact CD2-CG2 4.25Å; F328-L420 HydrophobicContact CD1-CB 4.33Å; F328-L420 HydrophobicContact CD2-CB 3.92Å; F328-L420 HydrophobicContact CD2-CD2 4.47Å; F328-L420 HydrophobicContact CE1-CB 4.42Å; F328-L420 HydrophobicContact CE2-CB 4.05Å; F328-L420 HydrophobicContact CE2-CD2 4.2Å; F328-L420 HydrophobicContact CG-CB 4.1Å; F328-L420 HydrophobicContact CZ-CB 4.3Å; F328-L436 HydrophobicContact CE2-CD2 3.88Å; F328-L436 HydrophobicContact CE2-CG 4.42Å; F328-L436 HydrophobicContact CZ-CD2 4.19Å; F328-L436 HydrophobicContact CZ-CG 4.37Å; F328-M440 HydrophobicContact CE1-CE 4.36Å; F328-M440 HydrophobicContact CE1-CG 4.2Å; F328-M440 HydrophobicContact CE1-SD 4.37Å; F328-M440 HydrophobicContact CZ-CG 3.85Å; F328-M440 HydrophobicContact CZ-SD 4.46Å; F328-M488 HydrophobicContact CE1-CB 4.49Å; F328-M488 HydrophobicContact CE1-CG 3.93Å; F328-M488 HydrophobicContact CE1-SD 3.72Å; F328-M488 HydrophobicContact CZ-CG 3.98Å; F328-M488 HydrophobicContact CZ-SD 3.48Å; F328-M488 WeakPolarHBondContact CZ-SD 3.42Å
329	D	98.5	Very high	95.1	Very high	70 Å²	70	58.2 Å²	58.2	37%	0.374	30%	0.296	S	S	.	.	S	Bend	trans	-66.6	-36.9	172.5	-63.2	-54.2	0	0	0	111.1	K325 L416 E417 T418	K325-D329 WeakPolarHBondContact CD-O 3.29Å; K325-D329 PolarHBondContact NZ-O 2.94Å; D329-L416 HydrophobicContact CB-CB 4.05Å; D329-L416 HydrophobicContact CB-CD2 3.83Å; D329-L416 HydrophobicContact CB-CG 4.45Å; D329-E417 WeakPolarHBondContact OD2-CA 3.13Å; D329-E417 PolarHBondContact OD2-N 3.34Å; D329-T418 PolarHBondContact N-O 2.92Å; D329-T418 PolarHBondContact OD2-N 3.18Å; D329-T418 VanDerWaalsContact OD2-N 3.1Å
330	E	98.6	Very high	95.6	Very high	14 Å²	14	57 Å²	57	7%	0.065	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	144.8	174.6	-161.9	61.3	-91.3	0	0	112.8	K325 F328 F332 K358 R414 L416 S419 L420	K325-E330 WeakPolarHBondContact CE-OE1 3.46Å; K325-E330 IonicContact NZ-OE1 3.4Å; K325-E330 PolarHBondContact NZ-OE1 2.64Å; K325-E330 IonicContact NZ-OE2 2.78Å; K325-E330 PolarHBondContact NZ-OE2 3.08Å; F328-E330 VanDerWaalsContact C-N 3.29Å; F328-E330 PolarHBondContact O-N 3.16Å; E330-F332 HydrophobicContact CB-CD2 4.28Å; E330-F332 HydrophobicContact CB-CE1 4.29Å; E330-F332 HydrophobicContact CB-CE2 3.72Å; E330-F332 HydrophobicContact CB-CZ 3.75Å; E330-F332 HydrophobicContact CG-CD1 3.83Å; E330-F332 HydrophobicContact CG-CD2 4.13Å; E330-F332 HydrophobicContact CG-CE1 3.49Å; E330-F332 VanDerWaalsContact CG-CE1 3.49Å; E330-F332 HydrophobicContact CG-CE2 3.79Å; E330-F332 HydrophobicContact CG-CG 4.17Å; E330-F332 HydrophobicContact CG-CZ 3.48Å; E330-F332 VanDerWaalsContact CG-CZ 3.48Å; E330-K358 HydrophobicContact CG-CB 4.18Å; E330-R414 IonicContact OE2-CZ 3.05Å; E330-R414 IonicContact OE2-NH1 2.69Å; E330-R414 PolarHBondContact OE2-NH1 3.21Å; E330-R414 IonicContact OE2-NH2 3.7Å; E330-R414 PolarHBondContact OE2-NH2 3.27Å; E330-L416 HydrophobicContact CB-CD1 3.78Å; E330-S419 WeakPolarHBondContact O-CA 3.33Å; E330-L420 PolarHBondContact O-N 3.05Å
331	V	98.8	Very high	95.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	111.6	166.3	179	0	0	0	0	107.1	K325 M326 F328 I355 A356 C357 K358 L420 I422	K325-V331 HydrophobicContact CB-CG2 4.14Å; M326-V331 HydrophobicContact CE-CG2 4.31Å; F328-V331 HydrophobicContact CB-CG2 4.39Å; F328-V331 HydrophobicContact CD2-CG2 4.25Å; V331-I355 HydrophobicContact CG1-CG2 4.29Å; V331-A356 WeakPolarHBondContact CB-O 3.02Å; V331-C357 HydrophobicContact CB-CB 4.25Å; V331-C357 HydrophobicContact CG1-CB 4.01Å; V331-C357 CarbonylContact O-C 3.56Å; V331-C357 WeakPolarHBondContact O-CA 3.49Å; V331-C357 WeakPolarHBondContact O-CB 3.49Å; V331-K358 PolarHBondContact O-N 3.42Å; V331-L420 CarbonylContact C-O 3.52Å; V331-L420 WeakPolarHBondContact CA-O 3.34Å; V331-L420 HydrophobicContact CB-CB 4.49Å; V331-L420 HydrophobicContact CG1-CB 4.26Å; V331-L420 HydrophobicContact CG1-CD2 3.92Å; V331-L420 HydrophobicContact CG1-CG 4.18Å; V331-L420 HydrophobicContact CG2-CB 4.19Å; V331-L420 HydrophobicContact CG2-CD2 4.33Å; V331-I422 HydrophobicContact CG1-CD1 4.21Å
332	F	98.7	Very high	95.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.9	179.8	-62.5	-75.3	0	0	0	110.9	E330 K358 I360 I407 E410 V411 L416 L420 V421 I422	E330-F332 HydrophobicContact CB-CD2 4.28Å; E330-F332 HydrophobicContact CB-CE1 4.29Å; E330-F332 HydrophobicContact CB-CE2 3.72Å; E330-F332 HydrophobicContact CB-CZ 3.75Å; E330-F332 HydrophobicContact CG-CD1 3.83Å; E330-F332 HydrophobicContact CG-CD2 4.13Å; E330-F332 HydrophobicContact CG-CE1 3.49Å; E330-F332 VanDerWaalsContact CG-CE1 3.49Å; E330-F332 HydrophobicContact CG-CE2 3.79Å; E330-F332 HydrophobicContact CG-CG 4.17Å; E330-F332 HydrophobicContact CG-CZ 3.48Å; E330-F332 VanDerWaalsContact CG-CZ 3.48Å; F332-K358 WeakPolarHBondContact CA-O 3.45Å; F332-K358 HydrophobicContact CD1-CB 4.39Å; F332-K358 HydrophobicContact CD1-CD 4.34Å; F332-K358 HydrophobicContact CE1-CD 4.07Å; F332-I360 HydrophobicContact CB-CG1 4.14Å; F332-I360 HydrophobicContact CD1-CD1 3.69Å; F332-I360 HydrophobicContact CD1-CG1 3.59Å; F332-I360 HydrophobicContact CE1-CD1 4.06Å; F332-I360 HydrophobicContact CE1-CG1 4.42Å; F332-I360 HydrophobicContact CG-CG1 4.29Å; F332-I407 HydrophobicContact CB-CD1 4.02Å; F332-I407 HydrophobicContact CB-CG1 4.48Å; F332-I407 HydrophobicContact CD2-CG2 3.7Å; F332-I407 HydrophobicContact CE2-CG2 3.92Å; F332-I407 HydrophobicContact CG-CD1 4.45Å; F332-I407 HydrophobicContact CG-CG1 4.4Å; F332-I407 HydrophobicContact CG-CG2 4.07Å; F332-I407 HydrophobicContact CZ-CG2 4.44Å; F332-E410 HydrophobicContact CE1-CG 4.47Å; F332-E410 WeakPolarHBondContact CE1-OE1 3.49Å; F332-E410 HydrophobicContact CZ-CG 4.38Å; F332-V411 HydrophobicContact CE2-CG2 3.9Å; F332-V411 HydrophobicContact CZ-CG2 4.41Å; F332-L416 HydrophobicContact CE2-CD1 3.96Å; F332-L416 HydrophobicContact CZ-CD1 3.66Å; F332-L420 PolarHBondContact N-O 2.87Å; F332-V421 HydrophobicContact CB-CG2 4.46Å; F332-V421 HydrophobicContact CD2-CG2 4.28Å; F332-I422 VanDerWaalsContact O-CG1 3.29Å; F332-I422 WeakPolarHBondContact O-CG1 3.46Å; F332-I422 PolarHBondContact O-N 3.12Å
333	M	98	Very high	95.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	111.6	173	177.5	-106.5	-144.2	0	0	109.7	N335 R343 M346 L347 C357 K358 I359 I360 I422 D424	M333-N335 HydrophobicContact SD-CB 3.94Å; M333-R343 HydrophobicContact CE-CG 4.23Å; M333-M346 HydrophobicContact CE-CB 3.51Å; M333-M346 HydrophobicContact CE-CG 3.52Å; M333-M346 HydrophobicContact CG-CG 4.24Å; M333-L347 HydrophobicContact CE-CD2 4.17Å; M333-L347 HydrophobicContact CE-CG 4.04Å; M333-C357 HydrophobicContact CB-CB 4.26Å; M333-K358 PolarHBondContact N-O 2.87Å; M333-I359 WeakPolarHBondContact O-CA 3.29Å; M333-I359 HydrophobicContact SD-CG1 4.16Å; M333-I359 HydrophobicContact SD-CG2 4.13Å; M333-I360 PolarHBondContact O-N 3.43Å; M333-I422 CarbonylContact C-O 3.34Å; M333-I422 WeakPolarHBondContact CA-O 3.23Å; M333-I422 HydrophobicContact CB-CG1 4.22Å; M333-D424 HydrophobicContact CE-CB 4.44Å
334	I	97.9	Very high	95.8	Very high	13 Å²	13	43.5 Å²	43.5	7%	0.067	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	124.3	179.5	-60.4	174.8	0	0	0	108.6	A362 H404 I407 V421 I422 D424	I334-A362 HydrophobicContact CG2-CB 3.65Å; I334-H404 WeakPolarHBondContact CD1-CE1 3.23Å; I334-H404 WeakPolarHBondContact CD1-NE2 3.16Å; I334-I407 HydrophobicContact CD1-CD1 3.61Å; I334-I407 HydrophobicContact CG1-CD1 3.5Å; I334-I407 VanDerWaalsContact CG1-CD1 3.5Å; I334-V421 HydrophobicContact CD1-CG1 3.75Å; I334-V421 HydrophobicContact CG1-CG1 4.25Å; I334-I422 PolarHBondContact N-O 3.1Å; I334-D424 WeakPolarHBondContact O-CB 3.25Å; I334-D424 PolarHBondContact O-N 3.22Å
335	N	97.1	Very high	95.6	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	135.3	176.4	167.4	-108.9	0	0	0	110.9	M333 R339 R343 I359 I360 A362 D424	M333-N335 HydrophobicContact SD-CB 3.94Å; N335-R339 PolarHBondContact ND2-O 3.28Å; N335-R339 VanDerWaalsContact ND2-O 3.1Å; N335-R343 WeakPolarHBondContact OD1-CD 3.28Å; N335-I359 HydrophobicContact CB-CG2 4.4Å; N335-I360 PolarHBondContact N-O 3.47Å; N335-I360 VanDerWaalsContact N-O 3.09Å; N335-A362 WeakPolarHBondContact O-CB 3.48Å; N335-A362 PolarHBondContact O-N 3.5Å; N335-D424 HydrophobicContact CB-CB 4.16Å; N335-D424 PolarHBondContact ND2-OD2 3.23Å
336	L	94.6	Very high	95.5	Very high	23 Å²	23	38.6 Å²	38.6	12%	0.12	21%	0.207	C	C	.	.			trans	-69.3	126.7	167.6	-76.8	169.5	0	0	0	109.5	R338 R339 A362 D364 D558	L336-R338 HydrophobicContact CB-CG 4.4Å; L336-R338 PolarHBondContact O-N 3.02Å; L336-R339 HydrophobicContact CB-CB 4.31Å; L336-R339 HydrophobicContact CB-CG 3.96Å; L336-R339 HydrophobicContact CD1-CG 4.41Å; L336-R339 PolarHBondContact O-N 3.23Å; L336-A362 HydrophobicContact CD2-CB 3.84Å; L336-A362 HydrophobicContact CG-CB 3.99Å; L336-D364 HydrophobicContact CD2-CB 3.84Å; L336-D558 HydrophobicContact CD1-CB 3.98Å
337	P	94.8	Very high	95.5	Very high	70 Å²	70	40.6 Å²	40.6	46%	0.455	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.4	-176.7	-29.8	35.9	0	0	0	115	A361	P337-A361 HydrophobicContact CG-CB 4.05Å
338	R	92.9	Very high	95.3	Very high	115 Å²	115	42.3 Å²	42.3	43%	0.434	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-16.7	176.7	65.7	174.3	174	83.2	2.6	114.5	L336 T340 D364 D558	L336-R338 HydrophobicContact CB-CG 4.4Å; L336-R338 PolarHBondContact O-N 3.02Å; R338-T340 PolarHBondContact O-N 3.32Å; R338-D364 WeakPolarHBondContact CD-OD2 3.34Å; R338-D364 IonicContact CZ-OD2 3.95Å; R338-D364 IonicContact NE-OD2 3.95Å; R338-D364 PolarHBondContact NE-OD2 3.35Å; R338-D364 IonicContact NH2-OD2 3.93Å; R338-D558 IonicContact CZ-OD1 2.7Å; R338-D558 IonicContact NH1-OD1 2.72Å; R338-D558 PolarHBondContact NH1-OD1 2.91Å; R338-D558 IonicContact NH2-OD1 2.82Å; R338-D558 PolarHBondContact NH2-OD1 3.35Å
339	R	91.9	Very high	95.1	Very high	44 Å²	44	42 Å²	42	17%	0.166	20%	0.201	C	C	.	.			trans	-92.5	63.1	179.5	-65.1	-57.4	-58.2	-107.2	9	111	N335 L336 D341 R342 R343 D558	N335-R339 PolarHBondContact ND2-O 3.28Å; N335-R339 VanDerWaalsContact ND2-O 3.1Å; L336-R339 HydrophobicContact CB-CB 4.31Å; L336-R339 HydrophobicContact CB-CG 3.96Å; L336-R339 HydrophobicContact CD1-CG 4.41Å; L336-R339 PolarHBondContact O-N 3.23Å; R339-D341 VanDerWaalsContact C-OD1 3.26Å; R339-D341 VanDerWaalsContact CA-OD1 3.31Å; R339-D341 WeakPolarHBondContact CA-OD1 3.32Å; R339-D341 IonicContact CZ-OD1 3.27Å; R339-D341 IonicContact CZ-OD2 3.62Å; R339-D341 IonicContact NE-OD1 2.65Å; R339-D341 PolarHBondContact NE-OD1 3.09Å; R339-D341 IonicContact NE-OD2 3.66Å; R339-D341 PolarHBondContact NE-OD2 3.41Å; R339-D341 IonicContact NH2-OD1 3.25Å; R339-D341 IonicContact NH2-OD2 2.77Å; R339-D341 PolarHBondContact NH2-OD2 3.04Å; R339-D341 PolarHBondContact O-N 3.11Å; R339-R342 HydrophobicContact CB-CB 4.26Å; R339-R342 HydrophobicContact CB-CG 4.3Å; R339-R342 PolarHBondContact O-N 2.88Å; R339-R343 PolarHBondContact O-N 3.14Å; R339-D558 IonicContact CZ-OD2 2.73Å; R339-D558 IonicContact NH1-OD2 3.61Å; R339-D558 PolarHBondContact NH1-OD2 3.16Å
340	T	94.1	Very high	95	Very high	69 Å²	69	38.8 Å²	38.8	42%	0.423	18%	0.184	S	C	.	.	H	α-helix	trans	-65.4	-28.8	178.8	61.5	0	0	0	0	112.1	R338 D344	R338-T340 PolarHBondContact O-N 3.32Å; T340-D344 VanDerWaalsContact O-CB 3.3Å; T340-D344 WeakPolarHBondContact O-CB 3.29Å; T340-D344 PolarHBondContact O-N 3.46Å
341	D	90.3	Very high	94.8	Very high	85 Å²	85	42.5 Å²	42.5	46%	0.455	20%	0.201	S	C	.	.	H	α-helix	trans	-57.4	-51.7	173.4	61.3	-44.8	0	0	0	112.1	R339 R345	R339-D341 VanDerWaalsContact C-OD1 3.26Å; R339-D341 VanDerWaalsContact CA-OD1 3.31Å; R339-D341 WeakPolarHBondContact CA-OD1 3.32Å; R339-D341 IonicContact CZ-OD1 3.27Å; R339-D341 IonicContact CZ-OD2 3.62Å; R339-D341 IonicContact NE-OD1 2.65Å; R339-D341 PolarHBondContact NE-OD1 3.09Å; R339-D341 IonicContact NE-OD2 3.66Å; R339-D341 PolarHBondContact NE-OD2 3.41Å; R339-D341 IonicContact NH2-OD1 3.25Å; R339-D341 IonicContact NH2-OD2 2.77Å; R339-D341 PolarHBondContact NH2-OD2 3.04Å; R339-D341 PolarHBondContact O-N 3.11Å; D341-R345 PolarHBondContact O-N 2.89Å
342	R	91.7	Very high	94.6	Very high	23 Å²	23	43.7 Å²	43.7	9%	0.087	21%	0.206	C	C	.	.	H	α-helix	trans	-68.7	-42.8	178.8	-62.3	-173.3	175.1	-165.6	-3.5	111.4	R339 D344 R345 M346 D424 D425 Y555	R339-R342 HydrophobicContact CB-CB 4.26Å; R339-R342 HydrophobicContact CB-CG 4.3Å; R339-R342 PolarHBondContact O-N 2.88Å; R342-D344 PolarHBondContact O-N 3.2Å; R342-R345 PolarHBondContact O-N 3.13Å; R342-M346 WeakPolarHBondContact O-CB 3.27Å; R342-M346 PolarHBondContact O-N 3.42Å; R342-D424 HydrophobicContact CB-CB 4.01Å; R342-D424 WeakPolarHBondContact CB-OD2 3.43Å; R342-D424 WeakPolarHBondContact CD-OD1 3.31Å; R342-D424 IonicContact NH1-OD1 2.72Å; R342-D424 PolarHBondContact NH1-OD1 3.29Å; R342-D425 IonicContact CZ-OD2 3.68Å; R342-D425 IonicContact NH1-OD2 3.69Å; R342-D425 PolarHBondContact NH1-OD2 3.21Å; R342-D425 IonicContact NH2-OD2 2.67Å; R342-Y555 VanDerWaalsContact NH2-CE2 3.34Å; R342-Y555 PolarHBondContact NH2-OH 3.34Å
343	R	94.7	Very high	94.4	Very high	73 Å²	73	44.4 Å²	44.4	28%	0.275	21%	0.21	S	C	.	.	H	α-helix	trans	-56.6	-52.3	177.2	-171	172.8	62.2	-158.5	3	111.8	M333 N335 R339 R345 M346 L347	M333-R343 HydrophobicContact CE-CG 4.23Å; N335-R343 WeakPolarHBondContact OD1-CD 3.28Å; R339-R343 PolarHBondContact O-N 3.14Å; R343-R345 VanDerWaalsContact C-N 3.33Å; R343-R345 PolarHBondContact O-N 2.88Å; R343-M346 PolarHBondContact O-N 2.98Å; R343-L347 HydrophobicContact CG-CD1 3.78Å; R343-L347 HydrophobicContact CG-CG 4.2Å; R343-L347 WeakPolarHBondContact O-CB 3.46Å; R343-L347 VanDerWaalsContact O-CG 3.29Å; R343-L347 WeakPolarHBondContact O-CG 3.46Å; R343-L347 PolarHBondContact O-N 3.2Å
344	D	93.8	Very high	94.3	Very high	72 Å²	72	49.5 Å²	49.5	39%	0.385	23%	0.232	S	C	.	.	H	α-helix	trans	-65.7	-38.4	-175.4	-72	-3.6	0	0	0	111.6	T340 R342 R348	T340-D344 VanDerWaalsContact O-CB 3.3Å; T340-D344 WeakPolarHBondContact O-CB 3.29Å; T340-D344 PolarHBondContact O-N 3.46Å; R342-D344 PolarHBondContact O-N 3.2Å; D344-R348 WeakPolarHBondContact O-CB 3.45Å; D344-R348 WeakPolarHBondContact O-CD 3.28Å; D344-R348 WeakPolarHBondContact O-CG 2.98Å; D344-R348 PolarHBondContact O-N 3.12Å
345	R	93.3	Very high	94.3	Very high	36 Å²	36	49.2 Å²	49.2	14%	0.136	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-51.9	174.2	-176.9	-158.6	68	93.3	1.1	110.9	D341 R342 R343 R348 A349 D424 L426	D341-R345 PolarHBondContact O-N 2.89Å; R342-R345 PolarHBondContact O-N 3.13Å; R343-R345 VanDerWaalsContact C-N 3.33Å; R343-R345 PolarHBondContact O-N 2.88Å; R345-R348 PolarHBondContact O-N 3.5Å; R345-A349 PolarHBondContact O-N 3.39Å; R345-D424 PolarHBondContact NH2-O 3.22Å; R345-L426 VanDerWaalsContact CZ-O 3.25Å; R345-L426 PolarHBondContact NH1-O 3.02Å; R345-L426 PolarHBondContact NH2-O 3.29Å
346	M	95.2	Very high	94.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69.1	-40.3	-174.6	-176	56.5	154.6	0	0	112.2	M333 R342 R343 R348 A349 L350 I422 E423 L426 F428	M333-M346 HydrophobicContact CE-CB 3.51Å; M333-M346 HydrophobicContact CE-CG 3.52Å; M333-M346 HydrophobicContact CG-CG 4.24Å; R342-M346 WeakPolarHBondContact O-CB 3.27Å; R342-M346 PolarHBondContact O-N 3.42Å; R343-M346 PolarHBondContact O-N 2.98Å; M346-R348 VanDerWaalsContact C-N 3.29Å; M346-R348 PolarHBondContact O-N 3.39Å; M346-A349 WeakPolarHBondContact O-CB 3.12Å; M346-A349 PolarHBondContact O-N 3.01Å; M346-A349 VanDerWaalsContact O-N 3.14Å; M346-A349 HydrophobicContact SD-CB 4.5Å; M346-L350 HydrophobicContact CG-CD1 4.23Å; M346-L350 WeakPolarHBondContact O-CG 3.33Å; M346-L350 PolarHBondContact O-N 3.38Å; M346-L350 HydrophobicContact SD-CG 4.38Å; M346-I422 HydrophobicContact CE-CB 4.31Å; M346-I422 HydrophobicContact CE-CD1 3.73Å; M346-I422 HydrophobicContact CE-CG1 4.21Å; M346-E423 VanDerWaalsContact CE-O 3.25Å; M346-E423 WeakPolarHBondContact CE-O 3.46Å; M346-L426 HydrophobicContact CE-CD1 3.51Å; M346-L426 HydrophobicContact CE-CD2 3.92Å; M346-L426 HydrophobicContact CE-CG 3.57Å; M346-L426 HydrophobicContact SD-CD1 4.27Å; M346-F428 HydrophobicContact CE-CE2 4.09Å; M346-F428 HydrophobicContact CE-CZ 3.69Å; M346-F428 HydrophobicContact SD-CE2 3.76Å; M346-F428 HydrophobicContact SD-CZ 3.93Å
347	L	95.4	Very high	94.5	Very high	57 Å²	57	51 Å²	51	30%	0.298	25%	0.246	S	C	.	.	H	α-helix	trans	-61.3	-37.2	173.6	-72.3	177.8	0	0	0	112.4	M333 R343 H351 I359	M333-L347 HydrophobicContact CE-CD2 4.17Å; M333-L347 HydrophobicContact CE-CG 4.04Å; R343-L347 HydrophobicContact CG-CD1 3.78Å; R343-L347 HydrophobicContact CG-CG 4.2Å; R343-L347 WeakPolarHBondContact O-CB 3.46Å; R343-L347 VanDerWaalsContact O-CG 3.29Å; R343-L347 WeakPolarHBondContact O-CG 3.46Å; R343-L347 PolarHBondContact O-N 3.2Å; L347-H351 VanDerWaalsContact O-CB 3.28Å; L347-H351 WeakPolarHBondContact O-CB 3.27Å; L347-H351 PolarHBondContact O-N 3.38Å; L347-I359 HydrophobicContact CD1-CD1 3.83Å; L347-I359 HydrophobicContact CD2-CD1 3.93Å; L347-I359 HydrophobicContact CD2-CG1 4.13Å; L347-I359 HydrophobicContact CG-CD1 4.37Å
348	R	92.9	Very high	94.6	Very high	109 Å²	109	51.4 Å²	51.4	41%	0.411	24%	0.241	S	C	.	.	H	α-helix	trans	-66.3	-44.1	172.8	-71.7	173.5	-157.3	-162.3	9.1	111.2	D344 R345 M346 L350 H351 E352	D344-R348 WeakPolarHBondContact O-CB 3.45Å; D344-R348 WeakPolarHBondContact O-CD 3.28Å; D344-R348 WeakPolarHBondContact O-CG 2.98Å; D344-R348 PolarHBondContact O-N 3.12Å; R345-R348 PolarHBondContact O-N 3.5Å; M346-R348 VanDerWaalsContact C-N 3.29Å; M346-R348 PolarHBondContact O-N 3.39Å; R348-L350 VanDerWaalsContact C-N 3.33Å; R348-L350 PolarHBondContact O-N 3.46Å; R348-H351 WeakPolarHBondContact O-CB 3.42Å; R348-H351 PolarHBondContact O-N 2.93Å; R348-E352 WeakPolarHBondContact O-CG 3.02Å; R348-E352 PolarHBondContact O-N 2.99Å
349	A	94.9	Very high	94.9	Very high	6 Å²	6	49.4 Å²	49.4	5%	0.05	24%	0.238	C	C	.	.	H	α-helix	trans	-60.2	-42.6	177.9	0	0	0	0	0	112.4	L301 R345 M346 E352 Q353 F428	L301-A349 HydrophobicContact CD2-CB 3.79Å; R345-A349 PolarHBondContact O-N 3.39Å; M346-A349 WeakPolarHBondContact O-CB 3.12Å; M346-A349 PolarHBondContact O-N 3.01Å; M346-A349 VanDerWaalsContact O-N 3.14Å; M346-A349 HydrophobicContact SD-CB 4.5Å; A349-E352 PolarHBondContact O-N 3.29Å; A349-Q353 WeakPolarHBondContact O-CG 3.34Å; A349-Q353 PolarHBondContact O-N 3.36Å; A349-Q353 VanDerWaalsContact O-N 3.15Å; A349-Q353 PolarHBondContact O-NE2 2.95Å; A349-F428 HydrophobicContact CB-CD2 4.4Å; A349-F428 HydrophobicContact CB-CE2 3.93Å
350	L	95.9	Very high	95.1	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-67.1	-41.3	174.9	-67.5	171	0	0	0	111.8	M346 R348 E352 Q353 K354 I355 C357 I422 F428	M346-L350 HydrophobicContact CG-CD1 4.23Å; M346-L350 WeakPolarHBondContact O-CG 3.33Å; M346-L350 PolarHBondContact O-N 3.38Å; M346-L350 HydrophobicContact SD-CG 4.38Å; R348-L350 VanDerWaalsContact C-N 3.33Å; R348-L350 PolarHBondContact O-N 3.46Å; L350-E352 PolarHBondContact O-N 3.14Å; L350-Q353 CarbonylContact O-C 3.52Å; L350-Q353 PolarHBondContact O-N 3.41Å; L350-K354 PolarHBondContact O-N 3.02Å; L350-I355 HydrophobicContact CB-CB 4.34Å; L350-I355 HydrophobicContact CD2-CB 3.91Å; L350-I355 HydrophobicContact CD2-CD1 4.12Å; L350-I355 HydrophobicContact CD2-CG2 3.86Å; L350-I355 PolarHBondContact O-N 2.92Å; L350-C357 HydrophobicContact CD1-CB 4.12Å; L350-C357 VanDerWaalsContact CD1-SG 3.53Å; L350-I422 HydrophobicContact CD1-CD1 4.02Å; L350-I422 HydrophobicContact CD2-CD1 3.77Å; L350-I422 HydrophobicContact CG-CD1 4.48Å; L350-F428 HydrophobicContact CD2-CE1 4.47Å; L350-F428 HydrophobicContact CD2-CZ 3.74Å; L350-F428 HydrophobicContact CG-CZ 4.48Å
351	H	94.6	Very high	95.2	Very high	92 Å²	92	48.2 Å²	48.2	43%	0.426	24%	0.242	S	C	.	.	H	α-helix	trans	-59.6	-45.8	174.4	174.9	-92.3	0	0	0	111.9	K321 L347 R348 Q353 K354	K321-H351 WeakPolarHBondContact CD-O 3.21Å; L347-H351 VanDerWaalsContact O-CB 3.28Å; L347-H351 WeakPolarHBondContact O-CB 3.27Å; L347-H351 PolarHBondContact O-N 3.38Å; R348-H351 WeakPolarHBondContact O-CB 3.42Å; R348-H351 PolarHBondContact O-N 2.93Å; H351-Q353 VanDerWaalsContact C-N 3.3Å; H351-Q353 PolarHBondContact O-N 3.43Å; H351-K354 PolarHBondContact O-N 3.18Å
352	E	93.8	Very high	95.4	Very high	25 Å²	25	44.7 Å²	44.7	12%	0.117	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-38.5	178	-69.4	-50	109.1	0	0	112.4	Y57 L297 L300 L301 K321 R348 A349 L350 K354	Y57-E352 PolarHBondContact OH-OE1 3.26Å; Y57-E352 PolarHBondContact OH-OE2 3.43Å; L297-E352 HydrophobicContact CD1-CB 3.73Å; L300-E352 HydrophobicContact CD2-CG 4.48Å; L301-E352 HydrophobicContact CD2-CB 4.17Å; K321-E352 WeakPolarHBondContact CE-OE2 3.11Å; K321-E352 IonicContact NZ-OE1 3.55Å; K321-E352 PolarHBondContact NZ-OE1 3.41Å; K321-E352 IonicContact NZ-OE2 2.99Å; K321-E352 PolarHBondContact NZ-OE2 3.11Å; R348-E352 WeakPolarHBondContact O-CG 3.02Å; R348-E352 PolarHBondContact O-N 2.99Å; A349-E352 PolarHBondContact O-N 3.29Å; L350-E352 PolarHBondContact O-N 3.14Å; E352-K354 PolarHBondContact O-N 3.44Å
353	Q	94.5	Very high	95.5	Very high	16 Å²	16	45.3 Å²	45.3	8%	0.075	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	0.7	174.6	-67.4	-176.7	92.6	0	0	114.4	L297 L301 A349 L350 H351 I355 F432 K433	L297-Q353 HydrophobicContact CD2-CG 3.96Å; L301-Q353 HydrophobicContact CD1-CG 3.86Å; A349-Q353 WeakPolarHBondContact O-CG 3.34Å; A349-Q353 PolarHBondContact O-N 3.36Å; A349-Q353 VanDerWaalsContact O-N 3.15Å; A349-Q353 PolarHBondContact O-NE2 2.95Å; L350-Q353 CarbonylContact O-C 3.52Å; L350-Q353 PolarHBondContact O-N 3.41Å; H351-Q353 VanDerWaalsContact C-N 3.3Å; H351-Q353 PolarHBondContact O-N 3.43Å; Q353-I355 VanDerWaalsContact C-N 3.34Å; Q353-I355 HydrophobicContact CB-CD1 3.77Å; Q353-I355 HydrophobicContact CB-CG1 3.98Å; Q353-I355 PolarHBondContact O-N 3.43Å; Q353-F432 VanDerWaalsContact OE1-CD1 3.27Å; Q353-K433 VanDerWaalsContact O-CD 3.3Å; Q353-K433 WeakPolarHBondContact O-CD 3.45Å
354	K	96.3	Very high	95.3	Very high	107 Å²	107	43.9 Å²	43.9	47%	0.465	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	44.8	-176.7	-49.9	170.7	-175	167.2	0	111.8	K321 P323 D324 L350 H351 E352 K433	K321-K354 HydrophobicContact CB-CG 4.19Å; K321-K354 HydrophobicContact CD-CG 4.2Å; K321-K354 HydrophobicContact CG-CG 4.39Å; P323-K354 WeakPolarHBondContact CA-O 2.88Å; D324-K354 PolarHBondContact N-O 2.95Å; D324-K354 VanDerWaalsContact N-O 3.09Å; L350-K354 PolarHBondContact O-N 3.02Å; H351-K354 PolarHBondContact O-N 3.18Å; E352-K354 PolarHBondContact O-N 3.44Å; K354-K433 PolarHBondContact O-NZ 3.41Å
355	I	97.8	Very high	94.9	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.031	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-109.4	121.9	177.3	-59.5	170.8	0	0	0	108.9	D324 M326 V331 L350 Q353 F432 K433	D324-I355 CarbonylContact O-C 3.57Å; D324-I355 WeakPolarHBondContact O-CA 3.33Å; M326-I355 HydrophobicContact CE-CD1 4.02Å; M326-I355 HydrophobicContact CE-CG1 4.17Å; M326-I355 HydrophobicContact CE-CG2 3.85Å; M326-I355 HydrophobicContact SD-CD1 3.83Å; M326-I355 HydrophobicContact SD-CG1 3.93Å; V331-I355 HydrophobicContact CG1-CG2 4.29Å; L350-I355 HydrophobicContact CB-CB 4.34Å; L350-I355 HydrophobicContact CD2-CB 3.91Å; L350-I355 HydrophobicContact CD2-CD1 4.12Å; L350-I355 HydrophobicContact CD2-CG2 3.86Å; L350-I355 PolarHBondContact O-N 2.92Å; Q353-I355 VanDerWaalsContact C-N 3.34Å; Q353-I355 HydrophobicContact CB-CD1 3.77Å; Q353-I355 HydrophobicContact CB-CG1 3.98Å; Q353-I355 PolarHBondContact O-N 3.43Å; I355-F432 HydrophobicContact CD1-CD1 4.13Å; I355-F432 HydrophobicContact CD1-CE1 3.78Å; I355-K433 HydrophobicContact CG1-CD 4.23Å
356	A	98	Very high	94.5	Very high	27 Å²	27	42.7 Å²	42.7	22%	0.223	22%	0.222	C	C	.	.			trans	-83.1	139.6	171.3	0	0	0	0	0	108.6	P323 D324 K325 V331	P323-A356 HydrophobicContact CB-CB 3.98Å; P323-A356 HydrophobicContact CG-CB 4.42Å; D324-A356 PolarHBondContact O-N 3.26Å; K325-A356 HydrophobicContact CG-CB 4.15Å; V331-A356 WeakPolarHBondContact CB-O 3.02Å
357	C	97.6	Very high	93.9	Very high	37 Å²	37	46.3 Å²	46.3	25%	0.25	25%	0.252	C	S	.	.			trans	-141.7	156.3	175	68.5	0	0	0	0	111.9	V331 M333 L350	V331-C357 HydrophobicContact CB-CB 4.25Å; V331-C357 HydrophobicContact CG1-CB 4.01Å; V331-C357 CarbonylContact O-C 3.56Å; V331-C357 WeakPolarHBondContact O-CA 3.49Å; V331-C357 WeakPolarHBondContact O-CB 3.49Å; M333-C357 HydrophobicContact CB-CB 4.26Å; L350-C357 HydrophobicContact CD1-CB 4.12Å; L350-C357 VanDerWaalsContact CD1-SG 3.53Å
358	K	98	Very high	93.3	Very high	78 Å²	78	44.5 Å²	44.5	34%	0.339	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122.4	164.3	-178.7	-178.9	176.2	-171.1	0	108.7	E330 V331 F332 M333 I360 E410	E330-K358 HydrophobicContact CG-CB 4.18Å; V331-K358 PolarHBondContact O-N 3.42Å; F332-K358 WeakPolarHBondContact CA-O 3.45Å; F332-K358 HydrophobicContact CD1-CB 4.39Å; F332-K358 HydrophobicContact CD1-CD 4.34Å; F332-K358 HydrophobicContact CE1-CD 4.07Å; M333-K358 PolarHBondContact N-O 2.87Å; K358-I360 HydrophobicContact CD-CD1 4.08Å; K358-I360 HydrophobicContact CG-CD1 4.24Å; K358-I360 PolarHBondContact O-N 2.89Å; K358-E410 IonicContact NZ-OE1 2.63Å; K358-E410 PolarHBondContact NZ-OE1 2.79Å; K358-E410 IonicContact NZ-OE2 2.73Å; K358-E410 PolarHBondContact NZ-OE2 3.38Å
359	I	97.8	Very high	92.7	Very high	74 Å²	74	42.5 Å²	42.5	38%	0.379	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	126.9	173.9	-53.2	172.8	0	0	0	108.5	M333 N335 L347	M333-I359 WeakPolarHBondContact O-CA 3.29Å; M333-I359 HydrophobicContact SD-CG1 4.16Å; M333-I359 HydrophobicContact SD-CG2 4.13Å; N335-I359 HydrophobicContact CB-CG2 4.4Å; L347-I359 HydrophobicContact CD1-CD1 3.83Å; L347-I359 HydrophobicContact CD2-CD1 3.93Å; L347-I359 HydrophobicContact CD2-CG1 4.13Å; L347-I359 HydrophobicContact CG-CD1 4.37Å
360	I	96.9	Very high	91.8	Very high	19 Å²	19	44.3 Å²	44.3	10%	0.097	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.6	172.3	-60.9	-60.3	0	0	0	107.9	F332 M333 N335 K358 A362 I407	F332-I360 HydrophobicContact CB-CG1 4.14Å; F332-I360 HydrophobicContact CD1-CD1 3.69Å; F332-I360 HydrophobicContact CD1-CG1 3.59Å; F332-I360 HydrophobicContact CE1-CD1 4.06Å; F332-I360 HydrophobicContact CE1-CG1 4.42Å; F332-I360 HydrophobicContact CG-CG1 4.29Å; M333-I360 PolarHBondContact O-N 3.43Å; N335-I360 PolarHBondContact N-O 3.47Å; N335-I360 VanDerWaalsContact N-O 3.09Å; K358-I360 HydrophobicContact CD-CD1 4.08Å; K358-I360 HydrophobicContact CG-CD1 4.24Å; K358-I360 PolarHBondContact O-N 2.89Å; I360-A362 PolarHBondContact O-N 3.43Å; I360-I407 HydrophobicContact CB-CD1 4.41Å; I360-I407 HydrophobicContact CG1-CD1 4.17Å; I360-I407 HydrophobicContact CG1-CG1 4.03Å; I360-I407 HydrophobicContact CG2-CD1 4.3Å; I360-I407 HydrophobicContact CG2-CG1 4.14Å
361	A	96.6	Very high	91	Very high	68 Å²	68	48.6 Å²	48.6	56%	0.562	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	107.5	173.4	0	0	0	0	0	108.7	P337	P337-A361 HydrophobicContact CG-CB 4.05Å
362	A	94.3	Very high	90.3	Very high	12 Å²	12	48.4 Å²	48.4	10%	0.099	28%	0.279	C	S	.	.			trans	-64	146.3	176.7	0	0	0	0	0	110.2	I334 N335 L336 I360 D364 S403	I334-A362 HydrophobicContact CG2-CB 3.65Å; N335-A362 WeakPolarHBondContact O-CB 3.48Å; N335-A362 PolarHBondContact O-N 3.5Å; L336-A362 HydrophobicContact CD2-CB 3.84Å; L336-A362 HydrophobicContact CG-CB 3.99Å; I360-A362 PolarHBondContact O-N 3.43Å; A362-D364 PolarHBondContact O-N 3.29Å; A362-S403 VanDerWaalsContact CA-OG 3.32Å; A362-S403 WeakPolarHBondContact CA-OG 3.48Å; A362-S403 WeakPolarHBondContact CB-OG 3.4Å
363	V	92.8	Very high	89.8	Confident	36 Å²	36	47.3 Å²	47.3	22%	0.218	27%	0.274	C	S	.	.			trans	-73.2	117.2	175.5	-179.9	0	0	0	0	108.5	G365 M368 G399 L402 S403	V363-G365 PolarHBondContact O-N 3.21Å; V363-M368 HydrophobicContact CG1-CG 4.47Å; V363-M368 HydrophobicContact CG1-SD 3.67Å; V363-G399 CarbonylContact O-C 3.54Å; V363-G399 VanDerWaalsContact O-CA 3.27Å; V363-G399 WeakPolarHBondContact O-CA 3.3Å; V363-L402 HydrophobicContact CB-CB 4.06Å; V363-L402 HydrophobicContact CG1-CB 4.25Å; V363-L402 HydrophobicContact CG1-CD1 4.04Å; V363-L402 HydrophobicContact CG2-CB 3.82Å; V363-S403 PolarHBondContact N-OG 3.43Å
364	D	90.9	Very high	89	Confident	43 Å²	43	51.9 Å²	51.9	23%	0.23	30%	0.295	C	S	.	.			trans	-78.9	91.9	174.1	-164.6	-19.9	0	0	0	109.6	L336 R338 A362 K366 A367	L336-D364 HydrophobicContact CD2-CB 3.84Å; R338-D364 WeakPolarHBondContact CD-OD2 3.34Å; R338-D364 IonicContact CZ-OD2 3.95Å; R338-D364 IonicContact NE-OD2 3.95Å; R338-D364 PolarHBondContact NE-OD2 3.35Å; R338-D364 IonicContact NH2-OD2 3.93Å; A362-D364 PolarHBondContact O-N 3.29Å; D364-K366 PolarHBondContact O-N 2.77Å; D364-K366 VanDerWaalsContact O-N 3.16Å; D364-K366 WeakPolarHBondContact OD1-CB 3.24Å; D364-K366 PolarHBondContact OD1-N 3.01Å; D364-K366 VanDerWaalsContact OD1-N 3.12Å; D364-A367 HydrophobicContact CB-CB 4.15Å; D364-A367 WeakPolarHBondContact O-CB 3.25Å; D364-A367 PolarHBondContact O-N 2.74Å
365	G	86.5	Confident	88.3	Confident	3 Å²	3	51 Å²	51	3%	0.031	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-58.6	-27.9	179.5	0	0	0	0	0	113.3	V363 A367 M368 K395	V363-G365 PolarHBondContact O-N 3.21Å; G365-A367 PolarHBondContact O-N 2.91Å; G365-M368 PolarHBondContact O-N 3.15Å; G365-M368 VanDerWaalsContact O-N 3.15Å; G365-K395 VanDerWaalsContact CA-O 3.31Å; G365-K395 WeakPolarHBondContact CA-O 3.49Å; G365-K395 WeakPolarHBondContact O-CD 3.05Å
366	K	82.9	Confident	87.6	Confident	80 Å²	80	55.3 Å²	55.3	35%	0.348	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-65.5	-27	175.7	-64.7	177.4	177.8	178.4	0	112.3	D364 D558 T561	D364-K366 PolarHBondContact O-N 2.77Å; D364-K366 VanDerWaalsContact O-N 3.16Å; D364-K366 WeakPolarHBondContact OD1-CB 3.24Å; D364-K366 PolarHBondContact OD1-N 3.01Å; D364-K366 VanDerWaalsContact OD1-N 3.12Å; K366-D558 IonicContact NZ-OD1 3.79Å; K366-T561 WeakPolarHBondContact CE-O 3.19Å; K366-T561 PolarHBondContact NZ-O 2.8Å
367	A	84	Confident	86.8	Confident	76 Å²	76	55.4 Å²	55.4	63%	0.628	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-83.5	-13.4	178.1	0	0	0	0	0	113	D364 G365	D364-A367 HydrophobicContact CB-CB 4.15Å; D364-A367 WeakPolarHBondContact O-CB 3.25Å; D364-A367 PolarHBondContact O-N 2.74Å; G365-A367 PolarHBondContact O-N 2.91Å
368	M	82.1	Confident	86.2	Confident	19 Å²	19	53.7 Å²	53.7	9%	0.094	32%	0.322	C	S	.	.			trans	-77.9	137.3	-178.5	-64.7	-177.9	70.3	0	0	111.9	V363 G365 E372 I373 L376 K395 L402	V363-M368 HydrophobicContact CG1-CG 4.47Å; V363-M368 HydrophobicContact CG1-SD 3.67Å; G365-M368 PolarHBondContact O-N 3.15Å; G365-M368 VanDerWaalsContact O-N 3.15Å; M368-E372 WeakPolarHBondContact CA-OE2 3.11Å; M368-I373 HydrophobicContact CE-CG1 3.92Å; M368-L376 HydrophobicContact CE-CD1 3.78Å; M368-K395 PolarHBondContact O-NZ 2.75Å; M368-L402 HydrophobicContact CE-CD1 3.87Å; M368-L402 HydrophobicContact SD-CD1 3.78Å
369	N	80.4	Confident	85.5	Confident	66 Å²	66	54.9 Å²	54.9	35%	0.353	33%	0.329	S	S	.	.			trans	-98.6	161.5	170.4	68.5	59.3	0	0	0	112	S371 E372 I373	N369-S371 PolarHBondContact O-N 2.65Å; N369-S371 WeakPolarHBondContact OD1-CA 3.41Å; N369-S371 WeakPolarHBondContact OD1-CB 3.39Å; N369-S371 PolarHBondContact OD1-N 3.46Å; N369-S371 VanDerWaalsContact OD1-N 3.09Å; N369-E372 PolarHBondContact N-OE2 3.18Å; N369-E372 PolarHBondContact ND2-OE1 2.81Å; N369-E372 PolarHBondContact ND2-OE2 2.96Å; N369-E372 WeakPolarHBondContact O-CB 3.24Å; N369-E372 PolarHBondContact O-N 3.36Å; N369-E372 VanDerWaalsContact O-N 3.16Å; N369-E372 WeakPolarHBondContact OD1-CG 3.26Å; N369-E372 PolarHBondContact OD1-N 3.17Å; N369-I373 WeakPolarHBondContact O-CG1 3.33Å; N369-I373 PolarHBondContact O-N 3.09Å
370	V	76.8	Confident	84.7	Confident	44 Å²	44	53.4 Å²	53.4	27%	0.267	32%	0.321	S	S	.	.	H	α-helix	trans	-60.6	-33.7	-176.9	177.7	0	0	0	0	112.1	I373 H374	V370-I373 PolarHBondContact O-N 3.01Å; V370-H374 PolarHBondContact O-CD2 2.85Å; V370-H374 PolarHBondContact O-N 2.78Å
371	S	79.4	Confident	84	Confident	92 Å²	92	52.6 Å²	52.6	64%	0.643	32%	0.317	S	S	*	.	H	α-helix	trans	-66.9	-37.7	177.7	-56.7	0	0	0	0	112.6	N369 H374 A375	N369-S371 PolarHBondContact O-N 2.65Å; N369-S371 WeakPolarHBondContact OD1-CA 3.41Å; N369-S371 WeakPolarHBondContact OD1-CB 3.39Å; N369-S371 PolarHBondContact OD1-N 3.46Å; N369-S371 VanDerWaalsContact OD1-N 3.09Å; S371-H374 PolarHBondContact O-N 3.27Å; S371-A375 VanDerWaalsContact O-CB 3.32Å; S371-A375 WeakPolarHBondContact O-CB 3.17Å; S371-A375 PolarHBondContact O-N 2.75Å
372	E	79.9	Confident	83.1	Confident	88 Å²	88	54.2 Å²	54.2	41%	0.411	32%	0.322	S	S	.	.	H	α-helix	trans	-65.4	-41.8	174.1	-71.4	164.9	161.6	0	0	111.5	M368 N369 H374 A375 L376	M368-E372 WeakPolarHBondContact CA-OE2 3.11Å; N369-E372 PolarHBondContact N-OE2 3.18Å; N369-E372 PolarHBondContact ND2-OE1 2.81Å; N369-E372 PolarHBondContact ND2-OE2 2.96Å; N369-E372 WeakPolarHBondContact O-CB 3.24Å; N369-E372 PolarHBondContact O-N 3.36Å; N369-E372 VanDerWaalsContact O-N 3.16Å; N369-E372 WeakPolarHBondContact OD1-CG 3.26Å; N369-E372 PolarHBondContact OD1-N 3.17Å; E372-H374 PolarHBondContact O-N 2.72Å; E372-A375 PolarHBondContact O-N 3.37Å; E372-L376 VanDerWaalsContact O-CG 3.31Å; E372-L376 WeakPolarHBondContact O-CG 3.5Å; E372-L376 PolarHBondContact O-N 2.91Å
373	I	81.5	Confident	82.3	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-59.3	-47.5	176.3	-63.7	172.6	0	0	0	110.3	M368 N369 V370 L376 I378 L398 W565	M368-I373 HydrophobicContact CE-CG1 3.92Å; N369-I373 WeakPolarHBondContact O-CG1 3.33Å; N369-I373 PolarHBondContact O-N 3.09Å; V370-I373 PolarHBondContact O-N 3.01Å; I373-L376 PolarHBondContact O-N 2.81Å; I373-I378 HydrophobicContact CG2-CB 3.79Å; I373-I378 HydrophobicContact CG2-CD1 4.46Å; I373-I378 HydrophobicContact CG2-CG2 4Å; I373-I378 WeakPolarHBondContact O-CB 3.31Å; I373-I378 PolarHBondContact O-N 2.99Å; I373-L398 HydrophobicContact CD1-CD2 3.71Å; I373-L398 HydrophobicContact CG1-CD2 4Å; I373-W565 HydrophobicContact CG2-CE3 4.45Å; I373-W565 HydrophobicContact CG2-CZ3 4.32Å
374	H	78.6	Confident	81.7	Confident	113 Å²	113	55.3 Å²	55.3	52%	0.523	34%	0.339	S	S	.	.	H	α-helix	trans	-65.6	-38.9	176.2	-76.3	-62.3	0	0	0	113.1	V370 S371 E372 L376 G377	V370-H374 PolarHBondContact O-CD2 2.85Å; V370-H374 PolarHBondContact O-N 2.78Å; S371-H374 PolarHBondContact O-N 3.27Å; E372-H374 PolarHBondContact O-N 2.72Å; H374-L376 PolarHBondContact O-N 2.94Å; H374-G377 PolarHBondContact O-N 3.39Å
375	A	81.2	Confident	81	Confident	87 Å²	87	58.7 Å²	58.7	72%	0.719	35%	0.353	S	S	*	.	H	α-helix	trans	-64.1	-30.5	178	0	0	0	0	0	112.5	S371 E372 G377	S371-A375 VanDerWaalsContact O-CB 3.32Å; S371-A375 WeakPolarHBondContact O-CB 3.17Å; S371-A375 PolarHBondContact O-N 2.75Å; E372-A375 PolarHBondContact O-N 3.37Å; A375-G377 PolarHBondContact O-N 2.89Å
376	L	82.4	Confident	80	Confident	98 Å²	98	59.1 Å²	59.1	51%	0.513	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-0.4	173.7	-68.2	170.4	0	0	0	113.3	M368 E372 I373 H374 I378	M368-L376 HydrophobicContact CE-CD1 3.78Å; E372-L376 VanDerWaalsContact O-CG 3.31Å; E372-L376 WeakPolarHBondContact O-CG 3.5Å; E372-L376 PolarHBondContact O-N 2.91Å; I373-L376 PolarHBondContact O-N 2.81Å; H374-L376 PolarHBondContact O-N 2.94Å; L376-I378 HydrophobicContact CB-CD1 3.71Å; L376-I378 HydrophobicContact CB-CG1 3.77Å; L376-I378 HydrophobicContact CD1-CD1 3.88Å; L376-I378 HydrophobicContact CG-CD1 4.47Å; L376-I378 PolarHBondContact O-N 3Å
377	G	83	Confident	79	Confident	29 Å²	29	57.7 Å²	57.7	30%	0.299	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	25.9	-177.9	0	0	0	0	0	113	H374 A375 H379	H374-G377 PolarHBondContact O-N 3.39Å; A375-G377 PolarHBondContact O-N 2.89Å; G377-H379 PolarHBondContact O-CD2 3.25Å; G377-H379 VanDerWaalsContact O-CD2 3.22Å; G377-H379 PolarHBondContact O-N 3.36Å
378	I	84.4	Confident	77.9	Confident	1 Å²	1	59 Å²	59	1%	0.005	34%	0.343	C	S	.	.			trans	-79.6	120.7	-178.1	-61.5	169.3	0	0	0	108.7	I373 L376 L398 L402 L503 I506	I373-I378 HydrophobicContact CG2-CB 3.79Å; I373-I378 HydrophobicContact CG2-CD1 4.46Å; I373-I378 HydrophobicContact CG2-CG2 4Å; I373-I378 WeakPolarHBondContact O-CB 3.31Å; I373-I378 PolarHBondContact O-N 2.99Å; L376-I378 HydrophobicContact CB-CD1 3.71Å; L376-I378 HydrophobicContact CB-CG1 3.77Å; L376-I378 HydrophobicContact CD1-CD1 3.88Å; L376-I378 HydrophobicContact CG-CD1 4.47Å; L376-I378 PolarHBondContact O-N 3Å; I378-L398 HydrophobicContact CD1-CD1 4.38Å; I378-L398 HydrophobicContact CG2-CD1 4.19Å; I378-L402 HydrophobicContact CD1-CD1 4.05Å; I378-L402 HydrophobicContact CD1-CD2 3.97Å; I378-L503 VanDerWaalsContact CA-O 3.29Å; I378-L503 WeakPolarHBondContact CA-O 3.39Å; I378-L503 HydrophobicContact CG1-CD2 4.49Å; I378-I506 HydrophobicContact CG2-CB 4.2Å; I378-I506 HydrophobicContact CG2-CD1 4.06Å; I378-I506 HydrophobicContact CG2-CG2 3.63Å
379	H	82.8	Confident	76.8	Confident	103 Å²	103	62.6 Å²	62.6	48%	0.477	36%	0.36	S	S	.	.			trans	-125.8	126.8	176.8	-62.7	-72.1	0	0	0	109	G377 L503 K504 R505 I506	G377-H379 PolarHBondContact O-CD2 3.25Å; G377-H379 VanDerWaalsContact O-CD2 3.22Å; G377-H379 PolarHBondContact O-N 3.36Å; H379-L503 PolarHBondContact N-O 3.41Å; H379-K504 WeakPolarHBondContact CB-O 3.49Å; H379-K504 CarbonylContact O-C 3.19Å; H379-R505 CarbonylContact O-C 3.47Å; H379-R505 VanDerWaalsContact O-CA 3.24Å; H379-R505 WeakPolarHBondContact O-CA 3.35Å; H379-R505 PolarHBondContact O-N 2.83Å; H379-R505 VanDerWaalsContact O-N 3.14Å; H379-I506 PolarHBondContact O-N 3.39Å
380	M	81	Confident	76	Confident	42 Å²	42	61.3 Å²	61.3	21%	0.207	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-68.2	146.2	177.1	-167.6	-178.2	70.1	0	0	110.6	P382 L393 I506 W565	M380-P382 VanDerWaalsContact O-CD 3.31Å; M380-P382 WeakPolarHBondContact O-CD 3.43Å; M380-L393 HydrophobicContact SD-CB 4.2Å; M380-I506 HydrophobicContact CB-CG2 4.37Å; M380-I506 WeakPolarHBondContact CG-O 3.37Å; M380-W565 HydrophobicContact CB-CH2 3.89Å; M380-W565 HydrophobicContact CB-CZ2 3.61Å; M380-W565 HydrophobicContact CE-CZ2 4.12Å; M380-W565 HydrophobicContact CG-CZ2 4.32Å; M380-W565 HydrophobicContact SD-CD2 4.48Å; M380-W565 VanDerWaalsContact SD-CE2 3.59Å; M380-W565 HydrophobicContact SD-CZ2 3.89Å; M380-W565 PolarHBondContact SD-NE1 3.45Å
381	L	82.9	Confident	75.6	Confident	2 Å²	2	61 Å²	61	1%	0.01	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-56.8	119.8	168.4	-174.4	130	0	0	0	109.4	G383 Y384 R505 I506 L507 Y525 Q528 F529	L381-G383 PolarHBondContact O-N 3.21Å; L381-Y384 WeakPolarHBondContact O-CB 3.41Å; L381-Y384 PolarHBondContact O-N 2.81Å; L381-Y384 VanDerWaalsContact O-N 3.16Å; L381-R505 HydrophobicContact CD1-CB 4.44Å; L381-I506 PolarHBondContact N-O 2.82Å; L381-L507 HydrophobicContact CB-CD2 4.11Å; L381-L507 HydrophobicContact CD1-CD2 3.75Å; L381-L507 HydrophobicContact CG-CD2 4.44Å; L381-Y525 HydrophobicContact CD2-CD1 3.54Å; L381-Y525 HydrophobicContact CD2-CE1 4Å; L381-Y525 HydrophobicContact CD2-CG 4.03Å; L381-Q528 HydrophobicContact CD1-CB 3.65Å; L381-Q528 HydrophobicContact CD1-CG 3.59Å; L381-Q528 HydrophobicContact CG-CG 4.14Å; L381-F529 HydrophobicContact CD1-CE2 3.79Å; L381-F529 HydrophobicContact CD1-CZ 4.38Å
382	P	77.9	Confident	75.4	Confident	103 Å²	103	59 Å²	59	67%	0.669	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	128.4	-176	-26.5	35.3	0	0	0	111.8	M380 Y384	M380-P382 VanDerWaalsContact O-CD 3.31Å; M380-P382 WeakPolarHBondContact O-CD 3.43Å; P382-Y384 VanDerWaalsContact C-N 3.32Å; P382-Y384 PolarHBondContact O-N 3.4Å
383	G	77	Confident	75.5	Confident	63 Å²	63	54.8 Å²	54.8	65%	0.649	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	10.4	178.2	0	0	0	0	0	115.3	L381 Q385	L381-G383 PolarHBondContact O-N 3.21Å; G383-Q385 PolarHBondContact O-N 3.33Å
384	Y	80.1	Confident	75.6	Confident	7 Å²	7	54.8 Å²	54.8	3%	0.027	32%	0.321	C	S	.	.			trans	-60	129.8	175.1	176.1	-99.3	0	0	0	112.1	L381 P382 L393 L507 P508 E511 Y525	L381-Y384 WeakPolarHBondContact O-CB 3.41Å; L381-Y384 PolarHBondContact O-N 2.81Å; L381-Y384 VanDerWaalsContact O-N 3.16Å; P382-Y384 VanDerWaalsContact C-N 3.32Å; P382-Y384 PolarHBondContact O-N 3.4Å; Y384-L393 HydrophobicContact CD1-CB 4.47Å; Y384-L393 HydrophobicContact CE1-CB 4.47Å; Y384-L507 HydrophobicContact CD2-CB 3.96Å; Y384-L507 HydrophobicContact CE2-CB 4.05Å; Y384-L507 HydrophobicContact CG-CB 4.31Å; Y384-P508 HydrophobicContact CE1-CG 4.13Å; Y384-P508 WeakPolarHBondContact OH-CD 3.41Å; Y384-P508 VanDerWaalsContact OH-CG 3.26Å; Y384-P508 WeakPolarHBondContact OH-CG 3.36Å; Y384-E511 HydrophobicContact CE2-CG 4.36Å; Y384-Y525 HydrophobicContact CD2-CD2 4.2Å; Y384-Y525 AromaticContact CD2-CE2 3.77Å; Y384-Y525 HydrophobicContact CD2-CE2 3.77Å; Y384-Y525 HydrophobicContact CE2-CE2 4.07Å
385	Q	75.4	Confident	75.8	Confident	114 Å²	114	49.8 Å²	49.8	53%	0.533	30%	0.298	S	S	.	.			trans	-140.6	140.8	166.5	-66.8	-174.1	-10.9	0	0	107.9	G383 R391 Y525	G383-Q385 PolarHBondContact O-N 3.33Å; Q385-R391 WeakPolarHBondContact CA-O 3.37Å; Q385-Y525 PolarHBondContact N-OH 2.8Å; Q385-Y525 PolarHBondContact O-OH 3.42Å; Q385-Y525 VanDerWaalsContact O-OH 3.12Å
386	D	66	Low	76	Confident	13 Å²	13	46 Å²	46	7%	0.07	27%	0.268	C	S	.	.			trans	-51.2	124.2	173.2	173.4	-77.8	0	0	0	109.9	Y388 H389 G390 R391	D386-Y388 PolarHBondContact O-N 3.07Å; D386-Y388 VanDerWaalsContact O-N 3.14Å; D386-Y388 WeakPolarHBondContact OD1-CA 3.46Å; D386-Y388 PolarHBondContact OD1-N 3.15Å; D386-H389 PolarHBondContact O-N 2.96Å; D386-H389 WeakPolarHBondContact OD1-CB 3.43Å; D386-H389 IonicContact OD1-CG 3.35Å; D386-H389 PolarHBondContact OD1-N 3.08Å; D386-H389 IonicContact OD1-ND1 3.53Å; D386-H389 PolarHBondContact OD1-ND1 3.08Å; D386-H389 IonicContact OD2-ND1 3.54Å; D386-G390 VanDerWaalsContact O-CA 3.24Å; D386-G390 WeakPolarHBondContact O-CA 3.45Å; D386-G390 PolarHBondContact O-N 3.16Å; D386-R391 HydrophobicContact CB-CB 4.24Å; D386-R391 PolarHBondContact N-O 2.7Å
387	P	62.2	Low	76.2	Confident	50 Å²	50	42.6 Å²	42.6	33%	0.325	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22	-174.4	-26.5	35.7	0	0	0	115.3	E511 V522	P387-E511 WeakPolarHBondContact CD-OE1 3.01Å; P387-E511 WeakPolarHBondContact CG-OE1 3.37Å; P387-V522 HydrophobicContact CB-CG2 4.38Å; P387-V522 HydrophobicContact CG-CG2 4.17Å
388	Y	60.5	Low	76.6	Confident	103 Å²	103	41.2 Å²	41.2	40%	0.404	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-29.1	-175.8	-67.6	-88.2	0	0	0	113.5	D386 M460 Y480 Y482	D386-Y388 PolarHBondContact O-N 3.07Å; D386-Y388 VanDerWaalsContact O-N 3.14Å; D386-Y388 WeakPolarHBondContact OD1-CA 3.46Å; D386-Y388 PolarHBondContact OD1-N 3.15Å; Y388-M460 HydrophobicContact CD1-CE 4.3Å; Y388-M460 HydrophobicContact CD2-CE 4.04Å; Y388-M460 HydrophobicContact CE1-CE 3.77Å; Y388-M460 HydrophobicContact CE2-CE 3.46Å; Y388-M460 VanDerWaalsContact CE2-CE 3.46Å; Y388-M460 HydrophobicContact CG-CE 4.42Å; Y388-Y480 AromaticContact CE2-CE1 3.65Å; Y388-Y480 HydrophobicContact CE2-CE1 3.65Å; Y388-Y480 AromaticContact CZ-CE1 3.92Å; Y388-Y480 VanDerWaalsContact OH-CE1 3.31Å; Y388-Y480 WeakPolarHBondContact OH-CE1 3.16Å; Y388-Y482 AromaticContact CD2-CE2 3.81Å; Y388-Y482 HydrophobicContact CD2-CE2 3.81Å; Y388-Y482 AromaticContact CD2-CZ 3.72Å; Y388-Y482 WeakPolarHBondContact CD2-OH 3.37Å; Y388-Y482 HydrophobicContact CE2-CE1 4.46Å; Y388-Y482 AromaticContact CE2-CE2 3.95Å; Y388-Y482 HydrophobicContact CE2-CE2 3.95Å; Y388-Y482 AromaticContact CE2-CZ 3.71Å; Y388-Y482 WeakPolarHBondContact CE2-OH 3.19Å
389	H	59.6	Low	76.9	Confident	94 Å²	94	41.3 Å²	41.3	44%	0.435	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-10.9	-171.2	-52.7	93.5	0	0	0	113.2	D386 R391	D386-H389 PolarHBondContact O-N 2.96Å; D386-H389 WeakPolarHBondContact OD1-CB 3.43Å; D386-H389 IonicContact OD1-CG 3.35Å; D386-H389 PolarHBondContact OD1-N 3.08Å; D386-H389 IonicContact OD1-ND1 3.53Å; D386-H389 PolarHBondContact OD1-ND1 3.08Å; D386-H389 IonicContact OD2-ND1 3.54Å; H389-R391 VanDerWaalsContact C-N 3.26Å; H389-R391 HydrophobicContact CB-CG 3.83Å; H389-R391 PolarHBondContact O-N 3.02Å
390	G	62.4	Low	77.4	Confident	39 Å²	39	37.6 Å²	37.6	40%	0.402	22%	0.221	S	C	.	.			trans	67.6	22.5	-179.5	0	0	0	0	0	114.1	D386	D386-G390 VanDerWaalsContact O-CA 3.24Å; D386-G390 WeakPolarHBondContact O-CA 3.45Å; D386-G390 PolarHBondContact O-N 3.16Å
391	R	68.6	Low	78.1	Confident	38 Å²	38	35.6 Å²	35.6	14%	0.143	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-90.8	144.4	-172.6	-65.2	-177	-65.8	156.5	7.6	111.6	Q385 D386 H389 E560	Q385-R391 WeakPolarHBondContact CA-O 3.37Å; D386-R391 HydrophobicContact CB-CB 4.24Å; D386-R391 PolarHBondContact N-O 2.7Å; H389-R391 VanDerWaalsContact C-N 3.26Å; H389-R391 HydrophobicContact CB-CG 3.83Å; H389-R391 PolarHBondContact O-N 3.02Å; R391-E560 IonicContact CZ-OE2 3.19Å; R391-E560 VanDerWaalsContact CZ-OE2 3.25Å; R391-E560 IonicContact NH1-OE2 2.83Å; R391-E560 PolarHBondContact NH1-OE2 3.29Å; R391-E560 IonicContact NH2-OE1 3.99Å; R391-E560 IonicContact NH2-OE2 3.63Å; R391-E560 PolarHBondContact NH2-OE2 3.2Å
392	P	76.9	Confident	78.7	Confident	49 Å²	49	36.1 Å²	36.1	32%	0.318	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-75.3	162.9	172.3	33.1	-35.6	0	0	0	111.3	T394 V564	P392-T394 PolarHBondContact O-N 2.67Å; P392-V564 HydrophobicContact CB-CG1 4.19Å; P392-V564 HydrophobicContact CG-CG1 3.93Å; P392-V564 HydrophobicContact CG-CG2 4.08Å
393	L	81.6	Confident	79.5	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-54.6	133.3	175.1	-175.7	70.7	0	0	0	111.4	M380 Y384 E397 L398 I506 P508 W565	M380-L393 HydrophobicContact SD-CB 4.2Å; Y384-L393 HydrophobicContact CD1-CB 4.47Å; Y384-L393 HydrophobicContact CE1-CB 4.47Å; L393-E397 HydrophobicContact CD1-CB 3.58Å; L393-L398 HydrophobicContact CD2-CB 4.39Å; L393-I506 HydrophobicContact CD2-CG2 3.95Å; L393-P508 HydrophobicContact CD1-CB 4.5Å; L393-P508 HydrophobicContact CD1-CG 3.64Å; L393-W565 HydrophobicContact CB-CB 4.42Å; L393-W565 HydrophobicContact CB-CG 4.21Å; L393-W565 HydrophobicContact CD2-CB 4.35Å; L393-W565 HydrophobicContact CD2-CG 4.37Å; L393-W565 HydrophobicContact CG-CB 4.33Å; L393-W565 WeakPolarHBondContact O-CB 3.34Å; L393-W565 PolarHBondContact O-N 3.32Å
394	T	83.3	Confident	80.5	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.012	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-91.7	156.9	174.3	67.9	0	0	0	0	111	P392 G396 E397 L398 T559 S562 T572	P392-T394 PolarHBondContact O-N 2.67Å; T394-G396 PolarHBondContact O-N 3.33Å; T394-E397 WeakPolarHBondContact CB-OE2 3.35Å; T394-E397 WeakPolarHBondContact CG2-OE2 3.21Å; T394-E397 PolarHBondContact N-OE2 2.82Å; T394-E397 PolarHBondContact O-N 3.03Å; T394-E397 WeakPolarHBondContact OG1-CB 3.47Å; T394-E397 VanDerWaalsContact OG1-CD 3.24Å; T394-E397 WeakPolarHBondContact OG1-CG 3.36Å; T394-E397 PolarHBondContact OG1-N 3.33Å; T394-E397 VanDerWaalsContact OG1-N 3.08Å; T394-E397 PolarHBondContact OG1-OE2 3.32Å; T394-L398 PolarHBondContact O-N 3.45Å; T394-T559 PolarHBondContact OG1-O 3.48Å; T394-S562 WeakPolarHBondContact CB-OG 3.3Å; T394-T572 HydrophobicContact CG2-CG2 4.12Å
395	K	83.6	Confident	81.4	Confident	8 Å²	8	30.1 Å²	30.1	4%	0.035	16%	0.159	C	C	.	.	H	α-helix	trans	-60	-35.5	171.3	-75.2	-164.6	179.1	-172.3	0	112.3	G365 M368 L398 G399 S562 T563 D568	G365-K395 VanDerWaalsContact CA-O 3.31Å; G365-K395 WeakPolarHBondContact CA-O 3.49Å; G365-K395 WeakPolarHBondContact O-CD 3.05Å; M368-K395 PolarHBondContact O-NZ 2.75Å; K395-L398 WeakPolarHBondContact O-CB 3.19Å; K395-L398 PolarHBondContact O-N 3.15Å; K395-G399 PolarHBondContact O-N 2.85Å; K395-S562 PolarHBondContact N-OG 2.93Å; K395-T563 WeakPolarHBondContact CD-OG1 3.5Å; K395-T563 PolarHBondContact N-O 3.41Å; K395-D568 WeakPolarHBondContact CE-OD1 3.16Å; K395-D568 IonicContact NZ-OD1 3.91Å; K395-D568 PolarHBondContact NZ-OD1 3.12Å; K395-D568 IonicContact NZ-OD2 2.84Å
396	G	84.9	Confident	82.4	Confident	8 Å²	8	27.5 Å²	27.5	8%	0.082	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-47.1	176.8	0	0	0	0	0	112.5	T394 L398 G399 C400 S562	T394-G396 PolarHBondContact O-N 3.33Å; G396-L398 VanDerWaalsContact C-N 3.34Å; G396-L398 PolarHBondContact O-N 2.94Å; G396-G399 PolarHBondContact O-N 3.01Å; G396-C400 PolarHBondContact O-N 2.87Å; G396-S562 PolarHBondContact N-OG 3.17Å; G396-S562 VanDerWaalsContact N-OG 3.11Å
397	E	87.1	Confident	84	Confident	25 Å²	25	26.9 Å²	26.9	12%	0.117	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-37.8	174.7	-70.7	161.3	141	0	0	112.4	L393 T394 C400 F401 P508	L393-E397 HydrophobicContact CD1-CB 3.58Å; T394-E397 WeakPolarHBondContact CB-OE2 3.35Å; T394-E397 WeakPolarHBondContact CG2-OE2 3.21Å; T394-E397 PolarHBondContact N-OE2 2.82Å; T394-E397 PolarHBondContact O-N 3.03Å; T394-E397 WeakPolarHBondContact OG1-CB 3.47Å; T394-E397 VanDerWaalsContact OG1-CD 3.24Å; T394-E397 WeakPolarHBondContact OG1-CG 3.36Å; T394-E397 PolarHBondContact OG1-N 3.33Å; T394-E397 VanDerWaalsContact OG1-N 3.08Å; T394-E397 PolarHBondContact OG1-OE2 3.32Å; E397-C400 WeakPolarHBondContact O-CB 3.24Å; E397-C400 PolarHBondContact O-N 2.76Å; E397-F401 PolarHBondContact O-N 2.97Å; E397-P508 HydrophobicContact CB-CG 4.45Å
398	L	89.6	Confident	85.7	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-59.6	-46.3	172	174.9	61.6	0	0	0	111.6	I373 I378 L393 T394 K395 G396 C400 F401 L402 I506	I373-L398 HydrophobicContact CD1-CD2 3.71Å; I373-L398 HydrophobicContact CG1-CD2 4Å; I378-L398 HydrophobicContact CD1-CD1 4.38Å; I378-L398 HydrophobicContact CG2-CD1 4.19Å; L393-L398 HydrophobicContact CD2-CB 4.39Å; T394-L398 PolarHBondContact O-N 3.45Å; K395-L398 WeakPolarHBondContact O-CB 3.19Å; K395-L398 PolarHBondContact O-N 3.15Å; G396-L398 VanDerWaalsContact C-N 3.34Å; G396-L398 PolarHBondContact O-N 2.94Å; L398-C400 VanDerWaalsContact C-N 3.32Å; L398-C400 PolarHBondContact O-N 3.49Å; L398-F401 PolarHBondContact O-N 2.77Å; L398-L402 HydrophobicContact CD1-CD1 4.1Å; L398-L402 HydrophobicContact CD1-CG 4.16Å; L398-L402 HydrophobicContact CG-CD1 4.14Å; L398-L402 WeakPolarHBondContact O-CG 3.4Å; L398-L402 PolarHBondContact O-N 2.78Å; L398-I506 HydrophobicContact CD1-CD1 3.31Å; L398-I506 HydrophobicContact CD1-CG1 4.25Å
399	G	92.1	Very high	87.5	Confident	2 Å²	2	22.8 Å²	22.8	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-61.1	-40.2	175.8	0	0	0	0	0	112.7	V363 K395 G396 S403	V363-G399 CarbonylContact O-C 3.54Å; V363-G399 VanDerWaalsContact O-CA 3.27Å; V363-G399 WeakPolarHBondContact O-CA 3.3Å; K395-G399 PolarHBondContact O-N 2.85Å; G396-G399 PolarHBondContact O-N 3.01Å; G399-S403 WeakPolarHBondContact O-CB 3.47Å; G399-S403 PolarHBondContact O-N 3.09Å; G399-S403 VanDerWaalsContact O-N 3.08Å; G399-S403 PolarHBondContact O-OG 2.81Å
400	C	92.9	Very high	89.4	Confident	25 Å²	25	19.9 Å²	19.9	17%	0.169	11%	0.111	C	C	.	.	H	α-helix	trans	-58.8	-54.1	172.4	-173.5	0	0	0	0	110.8	G396 E397 L398 L402 S403 H404 T559	G396-C400 PolarHBondContact O-N 2.87Å; E397-C400 WeakPolarHBondContact O-CB 3.24Å; E397-C400 PolarHBondContact O-N 2.76Å; L398-C400 VanDerWaalsContact C-N 3.32Å; L398-C400 PolarHBondContact O-N 3.49Å; C400-L402 VanDerWaalsContact C-N 3.34Å; C400-L402 PolarHBondContact O-N 2.76Å; C400-S403 VanDerWaalsContact O-CB 3.32Å; C400-S403 WeakPolarHBondContact O-CB 3.47Å; C400-S403 PolarHBondContact O-N 2.94Å; C400-H404 PolarHBondContact O-CD2 2.94Å; C400-H404 VanDerWaalsContact O-CD2 3.3Å; C400-H404 PolarHBondContact O-N 2.84Å; C400-T559 HydrophobicContact CB-CG2 4.13Å
401	F	95.3	Very high	91.1	Very high	1 Å²	1	18 Å²	18	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-52.8	-50.2	178.5	-169.6	-77.5	0	0	0	112.4	E397 L398 S403 H404 Y405 W408 P502 L503 I506 L507 V509 F512	E397-F401 PolarHBondContact O-N 2.97Å; L398-F401 PolarHBondContact O-N 2.77Å; F401-S403 PolarHBondContact O-N 2.95Å; F401-H404 PolarHBondContact O-N 3.5Å; F401-Y405 HydrophobicContact CE1-CD2 4.46Å; F401-Y405 WeakPolarHBondContact O-CB 3.35Å; F401-Y405 PolarHBondContact O-N 3.39Å; F401-W408 HydrophobicContact CE1-CZ3 4.33Å; F401-W408 HydrophobicContact CE2-CH2 4.44Å; F401-W408 HydrophobicContact CZ-CH2 4.13Å; F401-W408 AromaticContact CZ-CZ3 3.99Å; F401-W408 HydrophobicContact CZ-CZ3 3.99Å; F401-P502 HydrophobicContact CE1-CB 3.96Å; F401-P502 HydrophobicContact CE1-CG 4.22Å; F401-P502 HydrophobicContact CZ-CB 3.51Å; F401-P502 HydrophobicContact CZ-CG 4.05Å; F401-L503 HydrophobicContact CE1-CD2 4.32Å; F401-I506 HydrophobicContact CB-CD1 4.25Å; F401-I506 HydrophobicContact CD1-CD1 3.53Å; F401-I506 HydrophobicContact CD1-CG1 4.04Å; F401-I506 HydrophobicContact CD2-CG1 4.28Å; F401-I506 HydrophobicContact CE1-CD1 4.13Å; F401-I506 HydrophobicContact CE1-CG1 4.43Å; F401-I506 HydrophobicContact CG-CD1 3.85Å; F401-I506 HydrophobicContact CG-CG1 4.01Å; F401-L507 WeakPolarHBondContact CD2-O 3.41Å; F401-V509 HydrophobicContact CD2-CB 3.83Å; F401-V509 HydrophobicContact CD2-CG2 4.41Å; F401-V509 HydrophobicContact CE2-CB 4.41Å; F401-F512 HydrophobicContact CE2-CB 3.78Å; F401-F512 AromaticContact CE2-CD1 3.74Å; F401-F512 HydrophobicContact CE2-CD1 3.74Å; F401-F512 AromaticContact CE2-CG 3.8Å; F401-F512 HydrophobicContact CE2-CG 3.8Å; F401-F512 AromaticContact CZ-CD1 3.91Å; F401-F512 HydrophobicContact CZ-CD1 3.91Å; F401-F512 HydrophobicContact CZ-CE1 4.25Å; F401-F512 HydrophobicContact CZ-CG 4.2Å
402	L	95	Very high	92.6	Very high	12 Å²	12	18.2 Å²	18.2	6%	0.063	10%	0.097	C	C	.	.	H	α-helix	trans	-64.1	-30.7	-178.7	-67.6	175.1	0	0	0	112.5	V363 M368 I378 L398 C400 N406 L503	V363-L402 HydrophobicContact CB-CB 4.06Å; V363-L402 HydrophobicContact CG1-CB 4.25Å; V363-L402 HydrophobicContact CG1-CD1 4.04Å; V363-L402 HydrophobicContact CG2-CB 3.82Å; M368-L402 HydrophobicContact CE-CD1 3.87Å; M368-L402 HydrophobicContact SD-CD1 3.78Å; I378-L402 HydrophobicContact CD1-CD1 4.05Å; I378-L402 HydrophobicContact CD1-CD2 3.97Å; L398-L402 HydrophobicContact CD1-CD1 4.1Å; L398-L402 HydrophobicContact CD1-CG 4.16Å; L398-L402 HydrophobicContact CG-CD1 4.14Å; L398-L402 WeakPolarHBondContact O-CG 3.4Å; L398-L402 PolarHBondContact O-N 2.78Å; C400-L402 VanDerWaalsContact C-N 3.34Å; C400-L402 PolarHBondContact O-N 2.76Å; L402-N406 WeakPolarHBondContact O-CB 3.44Å; L402-N406 VanDerWaalsContact O-CG 3.23Å; L402-N406 PolarHBondContact O-N 3.2Å; L402-N406 PolarHBondContact O-ND2 3.39Å; L402-N406 VanDerWaalsContact O-ND2 3.12Å; L402-L503 HydrophobicContact CD2-CD2 3.67Å
403	S	96.6	Very high	93.6	Very high	2 Å²	2	23 Å²	23	1%	0.014	12%	0.115	C	C	.	.	H	α-helix	trans	-65.8	-46	175.9	-56	0	0	0	0	111.5	A362 V363 G399 C400 F401 N406 I407	A362-S403 VanDerWaalsContact CA-OG 3.32Å; A362-S403 WeakPolarHBondContact CA-OG 3.48Å; A362-S403 WeakPolarHBondContact CB-OG 3.4Å; V363-S403 PolarHBondContact N-OG 3.43Å; G399-S403 WeakPolarHBondContact O-CB 3.47Å; G399-S403 PolarHBondContact O-N 3.09Å; G399-S403 VanDerWaalsContact O-N 3.08Å; G399-S403 PolarHBondContact O-OG 2.81Å; C400-S403 VanDerWaalsContact O-CB 3.32Å; C400-S403 WeakPolarHBondContact O-CB 3.47Å; C400-S403 PolarHBondContact O-N 2.94Å; F401-S403 PolarHBondContact O-N 2.95Å; S403-N406 PolarHBondContact O-N 2.92Å; S403-I407 PolarHBondContact O-N 3.36Å
404	H	97.9	Very high	94.4	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-67.5	-42.6	174.8	-72.2	-84.8	0	0	0	112.2	I334 C400 F401 N406 I407 W408 E423 T484 Y487 V509	I334-H404 WeakPolarHBondContact CD1-CE1 3.23Å; I334-H404 WeakPolarHBondContact CD1-NE2 3.16Å; C400-H404 PolarHBondContact O-CD2 2.94Å; C400-H404 VanDerWaalsContact O-CD2 3.3Å; C400-H404 PolarHBondContact O-N 2.84Å; F401-H404 PolarHBondContact O-N 3.5Å; H404-N406 VanDerWaalsContact C-N 3.29Å; H404-N406 PolarHBondContact O-N 3.32Å; H404-I407 WeakPolarHBondContact O-CA 3.49Å; H404-I407 WeakPolarHBondContact O-CB 3.48Å; H404-I407 PolarHBondContact O-N 2.89Å; H404-W408 HydrophobicContact CB-CH2 4.42Å; H404-W408 HydrophobicContact CB-CZ2 3.81Å; H404-W408 PolarHBondContact O-N 3.06Å; H404-E423 IonicContact CE1-OE1 3.79Å; H404-E423 IonicContact NE2-OE1 2.8Å; H404-E423 PolarHBondContact NE2-OE1 2.81Å; H404-T484 PolarHBondContact NE2-OG1 3.43Å; H404-Y487 AromaticContact CE1-CE1 3.61Å; H404-Y487 AromaticContact ND1-CE1 3.38Å; H404-Y487 WeakPolarHBondContact ND1-CE1 3.49Å; H404-Y487 AromaticContact ND1-CZ 3.57Å; H404-Y487 PolarHBondContact ND1-OH 3.04Å; H404-V509 HydrophobicContact CB-CG2 4.15Å
405	Y	97.6	Very high	95.1	Very high	44 Å²	44	37.4 Å²	37.4	17%	0.173	17%	0.169	C	C	.	.	H	α-helix	trans	-56.5	-42.1	175.9	176.2	-95.2	0	0	0	112.6	F401 I407 W408 K409 L498 P502 L503	F401-Y405 HydrophobicContact CE1-CD2 4.46Å; F401-Y405 WeakPolarHBondContact O-CB 3.35Å; F401-Y405 PolarHBondContact O-N 3.39Å; Y405-I407 VanDerWaalsContact C-N 3.3Å; Y405-I407 PolarHBondContact O-N 3.01Å; Y405-W408 HydrophobicContact CD2-CE3 4.07Å; Y405-W408 HydrophobicContact CD2-CZ3 4.31Å; Y405-W408 PolarHBondContact O-N 2.87Å; Y405-K409 HydrophobicContact CD1-CD 4.24Å; Y405-K409 HydrophobicContact CD1-CG 4.43Å; Y405-K409 HydrophobicContact CE1-CD 3.51Å; Y405-K409 HydrophobicContact CE1-CG 3.94Å; Y405-K409 PolarHBondContact O-N 3.31Å; Y405-L498 HydrophobicContact CD2-CD2 3.71Å; Y405-L498 HydrophobicContact CE2-CD2 3.3Å; Y405-P502 HydrophobicContact CD2-CG 3.97Å; Y405-P502 HydrophobicContact CE2-CG 4.04Å; Y405-L503 HydrophobicContact CD1-CD1 4.47Å; Y405-L503 HydrophobicContact CD1-CD2 4.37Å; Y405-L503 HydrophobicContact CD2-CD2 4.33Å; Y405-L503 HydrophobicContact CD2-CG 4.48Å; Y405-L503 HydrophobicContact CE1-CD1 3.8Å; Y405-L503 HydrophobicContact CE1-CD2 4.45Å; Y405-L503 HydrophobicContact CE1-CG 4.32Å; Y405-L503 HydrophobicContact CE2-CD1 4.33Å; Y405-L503 HydrophobicContact CE2-CD2 4.42Å; Y405-L503 HydrophobicContact CE2-CG 4.09Å; Y405-L503 HydrophobicContact CG-CD2 4.31Å
406	N	97.6	Very high	95.8	Very high	59 Å²	59	37.6 Å²	37.6	32%	0.316	17%	0.171	S	C	.	.	H	α-helix	trans	-64	-34.7	176.2	-75.8	-31.9	0	0	0	112.6	L402 S403 H404 K409 E410	L402-N406 WeakPolarHBondContact O-CB 3.44Å; L402-N406 VanDerWaalsContact O-CG 3.23Å; L402-N406 PolarHBondContact O-N 3.2Å; L402-N406 PolarHBondContact O-ND2 3.39Å; L402-N406 VanDerWaalsContact O-ND2 3.12Å; S403-N406 PolarHBondContact O-N 2.92Å; H404-N406 VanDerWaalsContact C-N 3.29Å; H404-N406 PolarHBondContact O-N 3.32Å; N406-K409 WeakPolarHBondContact OD1-CE 3.43Å; N406-K409 PolarHBondContact OD1-NZ 2.8Å; N406-E410 WeakPolarHBondContact O-CB 3.33Å; N406-E410 PolarHBondContact O-N 3.35Å
407	I	98.5	Very high	96.5	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-67.3	-44.7	173.8	-69.9	166	0	0	0	110.7	F332 I334 I360 S403 H404 Y405 K409 E410 V411 V421	F332-I407 HydrophobicContact CB-CD1 4.02Å; F332-I407 HydrophobicContact CB-CG1 4.48Å; F332-I407 HydrophobicContact CD2-CG2 3.7Å; F332-I407 HydrophobicContact CE2-CG2 3.92Å; F332-I407 HydrophobicContact CG-CD1 4.45Å; F332-I407 HydrophobicContact CG-CG1 4.4Å; F332-I407 HydrophobicContact CG-CG2 4.07Å; F332-I407 HydrophobicContact CZ-CG2 4.44Å; I334-I407 HydrophobicContact CD1-CD1 3.61Å; I334-I407 HydrophobicContact CG1-CD1 3.5Å; I334-I407 VanDerWaalsContact CG1-CD1 3.5Å; I360-I407 HydrophobicContact CB-CD1 4.41Å; I360-I407 HydrophobicContact CG1-CD1 4.17Å; I360-I407 HydrophobicContact CG1-CG1 4.03Å; I360-I407 HydrophobicContact CG2-CD1 4.3Å; I360-I407 HydrophobicContact CG2-CG1 4.14Å; S403-I407 PolarHBondContact O-N 3.36Å; H404-I407 WeakPolarHBondContact O-CA 3.49Å; H404-I407 WeakPolarHBondContact O-CB 3.48Å; H404-I407 PolarHBondContact O-N 2.89Å; Y405-I407 VanDerWaalsContact C-N 3.3Å; Y405-I407 PolarHBondContact O-N 3.01Å; I407-K409 VanDerWaalsContact C-N 3.31Å; I407-K409 PolarHBondContact O-N 2.78Å; I407-E410 PolarHBondContact O-N 2.72Å; I407-E410 VanDerWaalsContact O-N 3.08Å; I407-V411 HydrophobicContact CG2-CG2 4.23Å; I407-V411 WeakPolarHBondContact O-CG2 3.27Å; I407-V411 PolarHBondContact O-N 2.65Å; I407-V421 HydrophobicContact CD1-CG1 3.88Å; I407-V421 HydrophobicContact CG2-CG2 3.83Å
408	W	98.7	Very high	97	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-43.5	177.9	-52.6	-28.4	0	0	0	111.5	F401 H404 Y405 E410 V411 V412 Y487 I489 A494 L497 L498 V509 F512 L513	F401-W408 HydrophobicContact CE1-CZ3 4.33Å; F401-W408 HydrophobicContact CE2-CH2 4.44Å; F401-W408 HydrophobicContact CZ-CH2 4.13Å; F401-W408 AromaticContact CZ-CZ3 3.99Å; F401-W408 HydrophobicContact CZ-CZ3 3.99Å; H404-W408 HydrophobicContact CB-CH2 4.42Å; H404-W408 HydrophobicContact CB-CZ2 3.81Å; H404-W408 PolarHBondContact O-N 3.06Å; Y405-W408 HydrophobicContact CD2-CE3 4.07Å; Y405-W408 HydrophobicContact CD2-CZ3 4.31Å; Y405-W408 PolarHBondContact O-N 2.87Å; W408-E410 VanDerWaalsContact C-N 3.35Å; W408-E410 PolarHBondContact O-N 3.11Å; W408-V411 PolarHBondContact O-N 3.48Å; W408-V412 WeakPolarHBondContact O-CG2 3.34Å; W408-V412 PolarHBondContact O-N 2.95Å; W408-V412 VanDerWaalsContact O-N 3.11Å; W408-Y487 PolarHBondContact NE1-OH 2.91Å; W408-Y487 VanDerWaalsContact NE1-OH 3.13Å; W408-I489 HydrophobicContact CG-CD1 4.39Å; W408-A494 HydrophobicContact CB-CB 4.21Å; W408-L497 HydrophobicContact CD2-CB 4.18Å; W408-L497 HydrophobicContact CD2-CD1 3.84Å; W408-L497 HydrophobicContact CE3-CB 3.94Å; W408-L497 HydrophobicContact CE3-CD1 4.28Å; W408-L497 HydrophobicContact CG-CD1 4.3Å; W408-L497 HydrophobicContact CH2-CD1 4.28Å; W408-L497 HydrophobicContact CZ2-CD1 3.8Å; W408-L497 HydrophobicContact CZ3-CB 4.27Å; W408-L497 HydrophobicContact CZ3-CD1 4.5Å; W408-L498 HydrophobicContact CB-CD1 4.44Å; W408-L498 HydrophobicContact CB-CD2 4.04Å; W408-L498 HydrophobicContact CB-CG 4.1Å; W408-L498 HydrophobicContact CE3-CD2 4.47Å; W408-V509 HydrophobicContact CH2-CG2 4.06Å; W408-V509 HydrophobicContact CZ2-CG2 4.02Å; W408-F512 AromaticContact CH2-CD1 3.88Å; W408-F512 HydrophobicContact CH2-CD1 3.88Å; W408-F512 AromaticContact CH2-CE1 3.83Å; W408-F512 HydrophobicContact CH2-CE1 3.83Å; W408-F512 HydrophobicContact CZ3-CD1 4.28Å; W408-F512 AromaticContact CZ3-CE1 3.82Å; W408-F512 HydrophobicContact CZ3-CE1 3.82Å; W408-L513 HydrophobicContact CZ2-CD2 4.15Å
409	K	98.4	Very high	97.4	Very high	66 Å²	66	43.4 Å²	43.4	29%	0.287	20%	0.198	S	C	.	.	H	α-helix	trans	-57.3	-48.3	172.1	-73.9	-170	-60.7	176	0	111.8	Y405 N406 I407 V411 V412 E413 L498	Y405-K409 HydrophobicContact CD1-CD 4.24Å; Y405-K409 HydrophobicContact CD1-CG 4.43Å; Y405-K409 HydrophobicContact CE1-CD 3.51Å; Y405-K409 HydrophobicContact CE1-CG 3.94Å; Y405-K409 PolarHBondContact O-N 3.31Å; N406-K409 WeakPolarHBondContact OD1-CE 3.43Å; N406-K409 PolarHBondContact OD1-NZ 2.8Å; I407-K409 VanDerWaalsContact C-N 3.31Å; I407-K409 PolarHBondContact O-N 2.78Å; K409-V411 VanDerWaalsContact C-N 3.33Å; K409-V411 PolarHBondContact O-N 2.78Å; K409-V412 PolarHBondContact O-N 3.4Å; K409-E413 WeakPolarHBondContact O-CB 3.45Å; K409-E413 VanDerWaalsContact O-CG 3.24Å; K409-E413 WeakPolarHBondContact O-CG 3.23Å; K409-E413 PolarHBondContact O-N 2.76Å; K409-L498 HydrophobicContact CG-CD1 4.23Å; K409-L498 HydrophobicContact CG-CD2 3.86Å
410	E	98.6	Very high	97.7	Very high	34 Å²	34	43.4 Å²	43.4	16%	0.159	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-40.2	-178.9	-178.2	174.3	155.2	0	0	112.1	F332 K358 N406 I407 W408 V412 E413 R414	F332-E410 HydrophobicContact CE1-CG 4.47Å; F332-E410 WeakPolarHBondContact CE1-OE1 3.49Å; F332-E410 HydrophobicContact CZ-CG 4.38Å; K358-E410 IonicContact NZ-OE1 2.63Å; K358-E410 PolarHBondContact NZ-OE1 2.79Å; K358-E410 IonicContact NZ-OE2 2.73Å; K358-E410 PolarHBondContact NZ-OE2 3.38Å; N406-E410 WeakPolarHBondContact O-CB 3.33Å; N406-E410 PolarHBondContact O-N 3.35Å; I407-E410 PolarHBondContact O-N 2.72Å; I407-E410 VanDerWaalsContact O-N 3.08Å; W408-E410 VanDerWaalsContact C-N 3.35Å; W408-E410 PolarHBondContact O-N 3.11Å; E410-V412 VanDerWaalsContact C-N 3.34Å; E410-V412 PolarHBondContact O-N 3.29Å; E410-E413 PolarHBondContact O-N 2.82Å; E410-R414 VanDerWaalsContact CG-CD 3.5Å; E410-R414 HydrophobicContact CG-CG 4.21Å; E410-R414 VanDerWaalsContact O-CB 3.29Å; E410-R414 WeakPolarHBondContact O-CB 3.28Å; E410-R414 WeakPolarHBondContact O-CG 3.18Å; E410-R414 PolarHBondContact O-N 2.84Å; E410-R414 WeakPolarHBondContact OE1-CD 3.3Å; E410-R414 IonicContact OE1-CZ 2.79Å; E410-R414 IonicContact OE1-NE 3.01Å; E410-R414 IonicContact OE1-NH1 2.92Å; E410-R414 PolarHBondContact OE1-NH1 2.98Å
411	V	98.8	Very high	98	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.6	-48	174.3	166.3	0	0	0	0	110.6	F332 I407 W408 K409 R415 L416 I489 L491 A494	F332-V411 HydrophobicContact CE2-CG2 3.9Å; F332-V411 HydrophobicContact CZ-CG2 4.41Å; I407-V411 HydrophobicContact CG2-CG2 4.23Å; I407-V411 WeakPolarHBondContact O-CG2 3.27Å; I407-V411 PolarHBondContact O-N 2.65Å; W408-V411 PolarHBondContact O-N 3.48Å; K409-V411 VanDerWaalsContact C-N 3.33Å; K409-V411 PolarHBondContact O-N 2.78Å; V411-R415 WeakPolarHBondContact O-CA 3.2Å; V411-R415 PolarHBondContact O-N 3.05Å; V411-L416 HydrophobicContact CG1-CB 4.28Å; V411-L416 HydrophobicContact CG2-CD1 4.26Å; V411-L416 PolarHBondContact O-N 2.83Å; V411-I489 HydrophobicContact CG2-CG2 4.47Å; V411-L491 HydrophobicContact CG1-CD1 4.23Å; V411-A494 HydrophobicContact CB-CB 4.01Å; V411-A494 HydrophobicContact CG1-CB 3.62Å
412	V	98.8	Very high	98.1	Very high	41 Å²	41	42.2 Å²	42.2	25%	0.248	19%	0.19	C	C	.	.	H	α-helix	trans	-69.3	-46	179.4	175.7	0	0	0	0	112.2	W408 K409 E410 R414 R415 L491 A494 E495 L498	W408-V412 WeakPolarHBondContact O-CG2 3.34Å; W408-V412 PolarHBondContact O-N 2.95Å; W408-V412 VanDerWaalsContact O-N 3.11Å; K409-V412 PolarHBondContact O-N 3.4Å; E410-V412 VanDerWaalsContact C-N 3.34Å; E410-V412 PolarHBondContact O-N 3.29Å; V412-R414 VanDerWaalsContact C-N 3.31Å; V412-R414 PolarHBondContact O-N 3.07Å; V412-R415 PolarHBondContact O-N 2.87Å; V412-R415 VanDerWaalsContact O-N 3.17Å; V412-L491 HydrophobicContact CG2-CD1 4.22Å; V412-A494 HydrophobicContact CG2-CB 3.83Å; V412-E495 HydrophobicContact CG1-CG 4.14Å; V412-E495 HydrophobicContact CG2-CB 4.43Å; V412-E495 HydrophobicContact CG2-CG 3.61Å; V412-L498 HydrophobicContact CB-CD1 4.15Å; V412-L498 HydrophobicContact CG2-CD1 3.76Å
413	E	98.5	Very high	98.2	Very high	149 Å²	149	43 Å²	43	70%	0.696	19%	0.193	S	C	*	.	H	α-helix	trans	-60.5	-40.5	-179.9	-75.5	171.3	-169.4	0	0	112.1	K409 E410	K409-E413 WeakPolarHBondContact O-CB 3.45Å; K409-E413 VanDerWaalsContact O-CG 3.24Å; K409-E413 WeakPolarHBondContact O-CG 3.23Å; K409-E413 PolarHBondContact O-N 2.76Å; E410-E413 PolarHBondContact O-N 2.82Å
414	R	98.5	Very high	98	Very high	107 Å²	107	43.4 Å²	43.4	40%	0.404	20%	0.195	S	C	.	.	H	α-helix	trans	-87.5	-8.5	178.7	-68.2	172.8	61.7	-170	-7.5	113.4	E330 E410 V412 L416	E330-R414 IonicContact OE2-CZ 3.05Å; E330-R414 IonicContact OE2-NH1 2.69Å; E330-R414 PolarHBondContact OE2-NH1 3.21Å; E330-R414 IonicContact OE2-NH2 3.7Å; E330-R414 PolarHBondContact OE2-NH2 3.27Å; E410-R414 VanDerWaalsContact CG-CD 3.5Å; E410-R414 HydrophobicContact CG-CG 4.21Å; E410-R414 VanDerWaalsContact O-CB 3.29Å; E410-R414 WeakPolarHBondContact O-CB 3.28Å; E410-R414 WeakPolarHBondContact O-CG 3.18Å; E410-R414 PolarHBondContact O-N 2.84Å; E410-R414 WeakPolarHBondContact OE1-CD 3.3Å; E410-R414 IonicContact OE1-CZ 2.79Å; E410-R414 IonicContact OE1-NE 3.01Å; E410-R414 IonicContact OE1-NH1 2.92Å; E410-R414 PolarHBondContact OE1-NH1 2.98Å; V412-R414 VanDerWaalsContact C-N 3.31Å; V412-R414 PolarHBondContact O-N 3.07Å; R414-L416 HydrophobicContact CB-CD1 4.38Å; R414-L416 HydrophobicContact CB-CD2 3.85Å; R414-L416 HydrophobicContact CB-CG 3.81Å
415	R	98.6	Very high	97.6	Very high	199 Å²	199	44.2 Å²	44.2	75%	0.751	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	53.3	-171.6	-59	-172.4	173.9	119.8	0	112.5	V411 V412 E417 L491	V411-R415 WeakPolarHBondContact O-CA 3.2Å; V411-R415 PolarHBondContact O-N 3.05Å; V412-R415 PolarHBondContact O-N 2.87Å; V412-R415 VanDerWaalsContact O-N 3.17Å; R415-E417 PolarHBondContact O-N 2.8Å; R415-L491 HydrophobicContact CB-CD2 4.27Å
416	L	98.6	Very high	97.4	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.063	19%	0.191	C	C	.	.			trans	-79.9	115.9	174.7	-52.8	177.7	0	0	0	108.2	D329 E330 F332 V411 R414 L491	D329-L416 HydrophobicContact CB-CB 4.05Å; D329-L416 HydrophobicContact CB-CD2 3.83Å; D329-L416 HydrophobicContact CB-CG 4.45Å; E330-L416 HydrophobicContact CB-CD1 3.78Å; F332-L416 HydrophobicContact CE2-CD1 3.96Å; F332-L416 HydrophobicContact CZ-CD1 3.66Å; V411-L416 HydrophobicContact CG1-CB 4.28Å; V411-L416 HydrophobicContact CG2-CD1 4.26Å; V411-L416 PolarHBondContact O-N 2.83Å; R414-L416 HydrophobicContact CB-CD1 4.38Å; R414-L416 HydrophobicContact CB-CD2 3.85Å; R414-L416 HydrophobicContact CB-CG 3.81Å; L416-L491 WeakPolarHBondContact O-CB 3.49Å
417	E	98.3	Very high	97.2	Very high	120 Å²	120	42.8 Å²	42.8	56%	0.561	19%	0.189	S	C	*	.	S	Bend	trans	-65.8	-43.9	-176.9	-66.1	-62.2	165.2	0	0	110.8	D329 R415 S490 L491	D329-E417 WeakPolarHBondContact OD2-CA 3.13Å; D329-E417 PolarHBondContact OD2-N 3.34Å; R415-E417 PolarHBondContact O-N 2.8Å; E417-S490 CarbonylContact O-C 2.99Å; E417-S490 VanDerWaalsContact O-CA 3.29Å; E417-S490 WeakPolarHBondContact O-CA 3.45Å; E417-L491 PolarHBondContact O-N 2.85Å
418	T	98.2	Very high	96.9	Very high	36 Å²	36	42.9 Å²	42.9	22%	0.221	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	136.1	176.2	63.4	0	0	0	0	111.6	D329 W450	D329-T418 PolarHBondContact N-O 2.92Å; D329-T418 PolarHBondContact OD2-N 3.18Å; D329-T418 VanDerWaalsContact OD2-N 3.1Å; T418-W450 HydrophobicContact CG2-CH2 4.31Å; T418-W450 HydrophobicContact CG2-CZ2 3.87Å
419	S	98.8	Very high	96.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143.1	179	-67.5	0	0	0	0	111.8	E330 M488 I489	E330-S419 WeakPolarHBondContact O-CA 3.33Å; S419-M488 CarbonylContact O-C 3.56Å; S419-M488 WeakPolarHBondContact O-CA 3.33Å; S419-I489 PolarHBondContact N-O 2.84Å; S419-I489 PolarHBondContact O-N 3.2Å
420	L	98.8	Very high	96.2	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130	171.3	175	63.5	0	0	0	109.4	M326 F328 E330 V331 F332 I422 L436 I455 M488	M326-L420 HydrophobicContact CE-CD2 3.58Å; F328-L420 HydrophobicContact CD1-CB 4.33Å; F328-L420 HydrophobicContact CD2-CB 3.92Å; F328-L420 HydrophobicContact CD2-CD2 4.47Å; F328-L420 HydrophobicContact CE1-CB 4.42Å; F328-L420 HydrophobicContact CE2-CB 4.05Å; F328-L420 HydrophobicContact CE2-CD2 4.2Å; F328-L420 HydrophobicContact CG-CB 4.1Å; F328-L420 HydrophobicContact CZ-CB 4.3Å; E330-L420 PolarHBondContact O-N 3.05Å; V331-L420 CarbonylContact C-O 3.52Å; V331-L420 WeakPolarHBondContact CA-O 3.34Å; V331-L420 HydrophobicContact CB-CB 4.49Å; V331-L420 HydrophobicContact CG1-CB 4.26Å; V331-L420 HydrophobicContact CG1-CD2 3.92Å; V331-L420 HydrophobicContact CG1-CG 4.18Å; V331-L420 HydrophobicContact CG2-CB 4.19Å; V331-L420 HydrophobicContact CG2-CD2 4.33Å; F332-L420 PolarHBondContact N-O 2.87Å; L420-I422 HydrophobicContact CD1-CG2 4.24Å; L420-I422 HydrophobicContact CD2-CG2 4.45Å; L420-I422 HydrophobicContact CG-CG2 4.19Å; L420-L436 HydrophobicContact CD2-CD2 3.95Å; L420-I455 HydrophobicContact CD1-CD1 3.68Å; L420-I455 HydrophobicContact CD1-CG1 4.41Å; L420-M488 HydrophobicContact CD1-CG 3.8Å
421	V	98.7	Very high	95.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.9	175.4	-175.3	0	0	0	0	108.9	F332 I334 I407 G486 Y487 I489	F332-V421 HydrophobicContact CB-CG2 4.46Å; F332-V421 HydrophobicContact CD2-CG2 4.28Å; I334-V421 HydrophobicContact CD1-CG1 3.75Å; I334-V421 HydrophobicContact CG1-CG1 4.25Å; I407-V421 HydrophobicContact CD1-CG1 3.88Å; I407-V421 HydrophobicContact CG2-CG2 3.83Å; V421-G486 CarbonylContact O-C 3.59Å; V421-G486 WeakPolarHBondContact O-CA 3.49Å; V421-Y487 HydrophobicContact CB-CD2 4.33Å; V421-Y487 HydrophobicContact CB-CE1 4.16Å; V421-Y487 HydrophobicContact CB-CE2 3.91Å; V421-Y487 HydrophobicContact CG1-CE1 4.15Å; V421-Y487 HydrophobicContact CG2-CD2 4.42Å; V421-Y487 HydrophobicContact CG2-CE2 3.74Å; V421-Y487 PolarHBondContact N-O 3.09Å; V421-Y487 PolarHBondContact O-N 2.77Å; V421-I489 HydrophobicContact CG2-CG2 4.38Å
422	I	97.8	Very high	95.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.5	177.8	54.2	-179.2	0	0	0	111.2	V331 F332 M333 I334 M346 L350 L420 L426 I455	V331-I422 HydrophobicContact CG1-CD1 4.21Å; F332-I422 VanDerWaalsContact O-CG1 3.29Å; F332-I422 WeakPolarHBondContact O-CG1 3.46Å; F332-I422 PolarHBondContact O-N 3.12Å; M333-I422 CarbonylContact C-O 3.34Å; M333-I422 WeakPolarHBondContact CA-O 3.23Å; M333-I422 HydrophobicContact CB-CG1 4.22Å; I334-I422 PolarHBondContact N-O 3.1Å; M346-I422 HydrophobicContact CE-CB 4.31Å; M346-I422 HydrophobicContact CE-CD1 3.73Å; M346-I422 HydrophobicContact CE-CG1 4.21Å; L350-I422 HydrophobicContact CD1-CD1 4.02Å; L350-I422 HydrophobicContact CD2-CD1 3.77Å; L350-I422 HydrophobicContact CG-CD1 4.48Å; L420-I422 HydrophobicContact CD1-CG2 4.24Å; L420-I422 HydrophobicContact CD2-CG2 4.45Å; L420-I422 HydrophobicContact CG-CG2 4.19Å; I422-L426 HydrophobicContact CB-CD2 3.91Å; I422-L426 HydrophobicContact CG2-CD2 4.12Å; I422-I455 HydrophobicContact CG2-CD1 4.19Å
423	E	95.9	Very high	95.5	Very high	29 Å²	29	40 Å²	40	14%	0.136	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	166.5	173.1	-66.4	177.9	-174	0	0	111.8	M346 H404 T484 L485	M346-E423 VanDerWaalsContact CE-O 3.25Å; M346-E423 WeakPolarHBondContact CE-O 3.46Å; H404-E423 IonicContact CE1-OE1 3.79Å; H404-E423 IonicContact NE2-OE1 2.8Å; H404-E423 PolarHBondContact NE2-OE1 2.81Å; E423-T484 VanDerWaalsContact OE1-C 3.24Å; E423-T484 VanDerWaalsContact OE1-O 3.14Å; E423-T484 PolarHBondContact OE1-OG1 3.03Å; E423-L485 PolarHBondContact N-O 2.92Å
424	D	93.4	Very high	95.3	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.053	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.6	-172.7	67.1	10.2	0	0	0	115.6	M333 I334 N335 R342 R345	M333-D424 HydrophobicContact CE-CB 4.44Å; I334-D424 WeakPolarHBondContact O-CB 3.25Å; I334-D424 PolarHBondContact O-N 3.22Å; N335-D424 HydrophobicContact CB-CB 4.16Å; N335-D424 PolarHBondContact ND2-OD2 3.23Å; R342-D424 HydrophobicContact CB-CB 4.01Å; R342-D424 WeakPolarHBondContact CB-OD2 3.43Å; R342-D424 WeakPolarHBondContact CD-OD1 3.31Å; R342-D424 IonicContact NH1-OD1 2.72Å; R342-D424 PolarHBondContact NH1-OD1 3.29Å; R345-D424 PolarHBondContact NH2-O 3.22Å
425	D	89.3	Confident	95.1	Very high	18 Å²	18	32.1 Å²	32.1	10%	0.096	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	24	-172.1	60.4	0.7	0	0	0	114.2	R342 T547 Y555	R342-D425 IonicContact CZ-OD2 3.68Å; R342-D425 IonicContact NH1-OD2 3.69Å; R342-D425 PolarHBondContact NH1-OD2 3.21Å; R342-D425 IonicContact NH2-OD2 2.67Å; D425-T547 WeakPolarHBondContact O-CB 3.36Å; D425-T547 VanDerWaalsContact O-CG2 3.32Å; D425-T547 WeakPolarHBondContact O-CG2 3.3Å; D425-T547 PolarHBondContact O-N 2.72Å; D425-T547 PolarHBondContact O-OG1 3.39Å; D425-Y555 PolarHBondContact OD2-OH 2.79Å
426	L	92.7	Very high	95	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	162	172.6	71.4	78	0	0	0	114.5	R345 M346 I422 F428 L485 V544 F545 T547	R345-L426 VanDerWaalsContact CZ-O 3.25Å; R345-L426 PolarHBondContact NH1-O 3.02Å; R345-L426 PolarHBondContact NH2-O 3.29Å; M346-L426 HydrophobicContact CE-CD1 3.51Å; M346-L426 HydrophobicContact CE-CD2 3.92Å; M346-L426 HydrophobicContact CE-CG 3.57Å; M346-L426 HydrophobicContact SD-CD1 4.27Å; I422-L426 HydrophobicContact CB-CD2 3.91Å; I422-L426 HydrophobicContact CG2-CD2 4.12Å; L426-F428 HydrophobicContact CD1-CD1 4.14Å; L426-F428 HydrophobicContact CD1-CD2 4.1Å; L426-F428 HydrophobicContact CD1-CE1 3.85Å; L426-F428 HydrophobicContact CD1-CE2 3.8Å; L426-F428 HydrophobicContact CD1-CG 4.28Å; L426-F428 HydrophobicContact CD1-CZ 3.68Å; L426-L485 VanDerWaalsContact CD2-O 3.24Å; L426-L485 WeakPolarHBondContact CD2-O 3.31Å; L426-V544 HydrophobicContact CB-CB 4.36Å; L426-V544 HydrophobicContact CD1-CB 3.96Å; L426-V544 HydrophobicContact CD1-CG1 3.83Å; L426-V544 HydrophobicContact CD2-CB 4.13Å; L426-V544 HydrophobicContact CD2-CG1 4.3Å; L426-V544 HydrophobicContact CD2-CG2 3.96Å; L426-V544 HydrophobicContact CG-CB 4.37Å; L426-F545 CarbonylContact C-O 3.5Å; L426-F545 WeakPolarHBondContact CA-O 3.32Å; L426-F545 WeakPolarHBondContact CB-O 3.37Å; L426-T547 WeakPolarHBondContact O-CG2 3.2Å
427	R	92.6	Very high	94.9	Very high	73 Å²	73	25.7 Å²	25.7	28%	0.275	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	154.7	166.7	58.3	174	174.9	159.6	7.7	109.7	E302 V305 V544 F545 P546 T547	E302-R427 VanDerWaalsContact OE1-CD 3.28Å; E302-R427 WeakPolarHBondContact OE1-CD 2.96Å; E302-R427 IonicContact OE2-CZ 3.81Å; E302-R427 IonicContact OE2-NH1 3.83Å; E302-R427 PolarHBondContact OE2-NH1 3.45Å; V305-R427 HydrophobicContact CG2-CB 4.07Å; R427-V544 VanDerWaalsContact O-CA 3.25Å; R427-V544 WeakPolarHBondContact O-CA 3.24Å; R427-V544 WeakPolarHBondContact O-CB 3.44Å; R427-F545 HydrophobicContact CG-CB 4.08Å; R427-F545 WeakPolarHBondContact CG-O 3.44Å; R427-F545 PolarHBondContact N-O 2.87Å; R427-F545 PolarHBondContact O-N 2.95Å; R427-P546 PolarHBondContact NE-O 2.93Å; R427-T547 HydrophobicContact CB-CG2 4.32Å
428	F	93.4	Very high	94.8	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.018	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	139.5	-173	-62.4	-87	0	0	0	111.2	H298 L301 M346 A349 L350 L426 F432 V544	H298-F428 PolarHBondContact CE1-O 2.77Å; H298-F428 PolarHBondContact ND1-O 3.18Å; L301-F428 HydrophobicContact CD1-CD2 4.31Å; M346-F428 HydrophobicContact CE-CE2 4.09Å; M346-F428 HydrophobicContact CE-CZ 3.69Å; M346-F428 HydrophobicContact SD-CE2 3.76Å; M346-F428 HydrophobicContact SD-CZ 3.93Å; A349-F428 HydrophobicContact CB-CD2 4.4Å; A349-F428 HydrophobicContact CB-CE2 3.93Å; L350-F428 HydrophobicContact CD2-CE1 4.47Å; L350-F428 HydrophobicContact CD2-CZ 3.74Å; L350-F428 HydrophobicContact CG-CZ 4.48Å; L426-F428 HydrophobicContact CD1-CD1 4.14Å; L426-F428 HydrophobicContact CD1-CD2 4.1Å; L426-F428 HydrophobicContact CD1-CE1 3.85Å; L426-F428 HydrophobicContact CD1-CE2 3.8Å; L426-F428 HydrophobicContact CD1-CG 4.28Å; L426-F428 HydrophobicContact CD1-CZ 3.68Å; F428-F432 HydrophobicContact CB-CB 4.08Å; F428-F432 HydrophobicContact CB-CG 4.23Å; F428-F432 HydrophobicContact CD1-CB 4.3Å; F428-F432 AromaticContact CD1-CD1 3.5Å; F428-F432 HydrophobicContact CD1-CD1 3.5Å; F428-F432 VanDerWaalsContact CD1-CD1 3.5Å; F428-F432 AromaticContact CD1-CD2 3.71Å; F428-F432 HydrophobicContact CD1-CD2 3.71Å; F428-F432 AromaticContact CD1-CE1 3.65Å; F428-F432 HydrophobicContact CD1-CE1 3.65Å; F428-F432 AromaticContact CD1-CE2 3.88Å; F428-F432 HydrophobicContact CD1-CE2 3.88Å; F428-F432 AromaticContact CD1-CG 3.54Å; F428-F432 HydrophobicContact CD1-CG 3.54Å; F428-F432 AromaticContact CD1-CZ 3.84Å; F428-F432 HydrophobicContact CD1-CZ 3.84Å; F428-F432 AromaticContact CE1-CD1 3.92Å; F428-F432 HydrophobicContact CE1-CD1 3.92Å; F428-F432 HydrophobicContact CE1-CD2 4.49Å; F428-F432 AromaticContact CE1-CE1 3.61Å; F428-F432 HydrophobicContact CE1-CE1 3.61Å; F428-F432 HydrophobicContact CE1-CE2 4.25Å; F428-F432 HydrophobicContact CE1-CG 4.36Å; F428-F432 AromaticContact CE1-CZ 3.8Å; F428-F432 HydrophobicContact CE1-CZ 3.8Å; F428-F432 HydrophobicContact CG-CD1 4.42Å; F428-F432 HydrophobicContact CG-CG 4.31Å; F428-V544 HydrophobicContact CD1-CG1 3.68Å; F428-V544 HydrophobicContact CE1-CG1 4.06Å; F428-V544 HydrophobicContact CG-CG1 4.47Å
429	E	91.4	Very high	94.7	Very high	33 Å²	33	22 Å²	22	15%	0.154	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-75.1	160	174.4	-158.1	54.8	-156.9	0	0	111.8	R183 F431 F432 L543 F545	R183-E429 IonicContact CZ-OE1 3.21Å; R183-E429 VanDerWaalsContact CZ-OE1 3.25Å; R183-E429 IonicContact NE-OE1 2.67Å; R183-E429 PolarHBondContact NE-OE1 3Å; R183-E429 IonicContact NH2-OE1 3.72Å; R183-E429 PolarHBondContact NH2-OE1 2.86Å; E429-F431 PolarHBondContact O-N 2.93Å; E429-F432 VanDerWaalsContact O-CB 3.32Å; E429-F432 WeakPolarHBondContact O-CB 3.42Å; E429-F432 PolarHBondContact O-N 2.78Å; E429-F432 VanDerWaalsContact O-N 3.12Å; E429-L543 WeakPolarHBondContact CB-O 3.45Å; E429-L543 PolarHBondContact N-O 2.91Å; E429-F545 HydrophobicContact CB-CE2 4.31Å; E429-F545 HydrophobicContact CG-CE2 4.22Å; E429-F545 WeakPolarHBondContact OE2-CD2 3.42Å; E429-F545 VanDerWaalsContact OE2-CE2 3.32Å; E429-F545 WeakPolarHBondContact OE2-CE2 3Å
430	V	89.9	Confident	94.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	141.7	176	70.7	0	0	0	0	110.9	H298 F432 R435 A607	H298-V430 HydrophobicContact CB-CB 4.18Å; H298-V430 HydrophobicContact CB-CG2 4.11Å; H298-V430 PolarHBondContact ND1-N 2.96Å; V430-F432 PolarHBondContact O-N 2.55Å; V430-R435 WeakPolarHBondContact O-CD 3.36Å; V430-A607 HydrophobicContact CG1-CB 3.43Å; V430-A607 VanDerWaalsContact CG1-CB 3.43Å
431	F	92.1	Very high	94.5	Very high	8 Å²	8	26.6 Å²	26.6	4%	0.035	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	18.9	-174.8	-47.3	-66.7	0	0	0	115.6	D291 D294 E429 K433 R434 R435 T606 A607	D291-F431 HydrophobicContact CB-CE1 4.06Å; D291-F431 HydrophobicContact CB-CZ 4.38Å; D291-F431 WeakPolarHBondContact O-CE1 3.24Å; D294-F431 HydrophobicContact CB-CD1 3.43Å; D294-F431 VanDerWaalsContact CB-CD1 3.43Å; D294-F431 HydrophobicContact CB-CE1 3.64Å; E429-F431 PolarHBondContact O-N 2.93Å; F431-K433 PolarHBondContact O-N 2.94Å; F431-R434 PolarHBondContact O-N 3.41Å; F431-R434 VanDerWaalsContact O-N 3.13Å; F431-R435 HydrophobicContact CB-CG 3.88Å; F431-R435 WeakPolarHBondContact O-CB 3.46Å; F431-R435 WeakPolarHBondContact O-CG 3.29Å; F431-R435 PolarHBondContact O-N 3.23Å; F431-T606 HydrophobicContact CE2-CG2 3.81Å; F431-T606 HydrophobicContact CZ-CG2 3.81Å; F431-A607 HydrophobicContact CD2-CB 4.27Å; F431-A607 HydrophobicContact CE2-CB 4.4Å
432	F	94.6	Very high	94.5	Very high	4 Å²	4	29 Å²	29	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-38.7	-61	-175.8	171.6	-102	0	0	0	114.7	Q353 I355 F428 E429 V430 R434 R435 L436 I455 L543 V544	Q353-F432 VanDerWaalsContact OE1-CD1 3.27Å; I355-F432 HydrophobicContact CD1-CD1 4.13Å; I355-F432 HydrophobicContact CD1-CE1 3.78Å; F428-F432 HydrophobicContact CB-CB 4.08Å; F428-F432 HydrophobicContact CB-CG 4.23Å; F428-F432 HydrophobicContact CD1-CB 4.3Å; F428-F432 AromaticContact CD1-CD1 3.5Å; F428-F432 HydrophobicContact CD1-CD1 3.5Å; F428-F432 VanDerWaalsContact CD1-CD1 3.5Å; F428-F432 AromaticContact CD1-CD2 3.71Å; F428-F432 HydrophobicContact CD1-CD2 3.71Å; F428-F432 AromaticContact CD1-CE1 3.65Å; F428-F432 HydrophobicContact CD1-CE1 3.65Å; F428-F432 AromaticContact CD1-CE2 3.88Å; F428-F432 HydrophobicContact CD1-CE2 3.88Å; F428-F432 AromaticContact CD1-CG 3.54Å; F428-F432 HydrophobicContact CD1-CG 3.54Å; F428-F432 AromaticContact CD1-CZ 3.84Å; F428-F432 HydrophobicContact CD1-CZ 3.84Å; F428-F432 AromaticContact CE1-CD1 3.92Å; F428-F432 HydrophobicContact CE1-CD1 3.92Å; F428-F432 HydrophobicContact CE1-CD2 4.49Å; F428-F432 AromaticContact CE1-CE1 3.61Å; F428-F432 HydrophobicContact CE1-CE1 3.61Å; F428-F432 HydrophobicContact CE1-CE2 4.25Å; F428-F432 HydrophobicContact CE1-CG 4.36Å; F428-F432 AromaticContact CE1-CZ 3.8Å; F428-F432 HydrophobicContact CE1-CZ 3.8Å; F428-F432 HydrophobicContact CG-CD1 4.42Å; F428-F432 HydrophobicContact CG-CG 4.31Å; E429-F432 VanDerWaalsContact O-CB 3.32Å; E429-F432 WeakPolarHBondContact O-CB 3.42Å; E429-F432 PolarHBondContact O-N 2.78Å; E429-F432 VanDerWaalsContact O-N 3.12Å; V430-F432 PolarHBondContact O-N 2.55Å; F432-R434 PolarHBondContact O-N 3.31Å; F432-R435 PolarHBondContact O-N 3.14Å; F432-L436 HydrophobicContact CE1-CD2 4.29Å; F432-L436 HydrophobicContact CE2-CD2 4.46Å; F432-L436 HydrophobicContact CZ-CD2 3.84Å; F432-L436 WeakPolarHBondContact O-CB 3.49Å; F432-L436 PolarHBondContact O-N 3.46Å; F432-I455 HydrophobicContact CE2-CD1 4.04Å; F432-I455 HydrophobicContact CZ-CD1 4.19Å; F432-L543 HydrophobicContact CD2-CB 3.73Å; F432-L543 WeakPolarHBondContact CD2-O 3.21Å; F432-L543 HydrophobicContact CE2-CB 3.8Å; F432-V544 HydrophobicContact CD2-CG1 3.99Å; F432-V544 HydrophobicContact CE2-CG1 3.59Å; F432-V544 HydrophobicContact CZ-CG1 4.31Å
433	K	95.3	Very high	94.4	Very high	36 Å²	36	29.1 Å²	29.1	16%	0.157	14%	0.141	C	C	.	.	H	α-helix	trans	-59.8	-45.4	-174.2	179.7	165.8	-175.2	177.3	0	111.9	D324 M326 Q353 K354 I355 F431 M437	D324-K433 WeakPolarHBondContact OD1-CE 3.47Å; D324-K433 IonicContact OD1-NZ 3.58Å; D324-K433 PolarHBondContact OD1-NZ 2.95Å; D324-K433 IonicContact OD2-NZ 3.47Å; D324-K433 PolarHBondContact OD2-NZ 3.1Å; M326-K433 HydrophobicContact CG-CD 4.22Å; M326-K433 HydrophobicContact CG-CG 4.06Å; M326-K433 HydrophobicContact SD-CB 4.39Å; M326-K433 HydrophobicContact SD-CD 4.23Å; M326-K433 HydrophobicContact SD-CG 3.77Å; Q353-K433 VanDerWaalsContact O-CD 3.3Å; Q353-K433 WeakPolarHBondContact O-CD 3.45Å; K354-K433 PolarHBondContact O-NZ 3.41Å; I355-K433 HydrophobicContact CG1-CD 4.23Å; F431-K433 PolarHBondContact O-N 2.94Å; K433-M437 HydrophobicContact CG-SD 3.97Å; K433-M437 WeakPolarHBondContact O-CB 3.45Å; K433-M437 VanDerWaalsContact O-CG 3.23Å; K433-M437 WeakPolarHBondContact O-CG 3.48Å; K433-M437 PolarHBondContact O-N 3.03Å
434	R	94.3	Very high	94.5	Very high	77 Å²	77	35.6 Å²	35.6	29%	0.291	17%	0.171	S	C	.	.	H	α-helix	trans	-68.2	-42.6	178.8	-73.6	169.4	68.2	-167	-0.1	111.8	D291 D294 F431 F432 L436 M437 N438 L603	D291-R434 IonicContact OD1-CZ 2.91Å; D291-R434 IonicContact OD1-NH1 3.63Å; D291-R434 PolarHBondContact OD1-NH1 3.37Å; D291-R434 IonicContact OD1-NH2 3.23Å; D291-R434 PolarHBondContact OD1-NH2 2.83Å; D291-R434 VanDerWaalsContact OD1-NH2 3.13Å; D294-R434 WeakPolarHBondContact OD2-CD 3.12Å; D294-R434 IonicContact OD2-CZ 3.56Å; D294-R434 IonicContact OD2-NE 3.12Å; D294-R434 IonicContact OD2-NH1 2.7Å; D294-R434 PolarHBondContact OD2-NH1 3.41Å; F431-R434 PolarHBondContact O-N 3.41Å; F431-R434 VanDerWaalsContact O-N 3.13Å; F432-R434 PolarHBondContact O-N 3.31Å; R434-L436 PolarHBondContact O-N 3.38Å; R434-M437 PolarHBondContact O-N 3.15Å; R434-N438 WeakPolarHBondContact O-CB 3.49Å; R434-N438 PolarHBondContact O-N 3.2Å; R434-N438 PolarHBondContact O-OD1 3.45Å; R434-L603 HydrophobicContact CB-CD1 3.81Å
435	R	94.9	Very high	94.6	Very high	13 Å²	13	44.3 Å²	44.3	5%	0.049	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-44	177.3	-70.5	175.1	71.2	-139.9	-11.3	111.3	V430 F431 F432 L439 P541 L543 L603 D604	V430-R435 WeakPolarHBondContact O-CD 3.36Å; F431-R435 HydrophobicContact CB-CG 3.88Å; F431-R435 WeakPolarHBondContact O-CB 3.46Å; F431-R435 WeakPolarHBondContact O-CG 3.29Å; F431-R435 PolarHBondContact O-N 3.23Å; F432-R435 PolarHBondContact O-N 3.14Å; R435-L439 WeakPolarHBondContact O-CB 3.42Å; R435-L439 PolarHBondContact O-N 3.35Å; R435-P541 PolarHBondContact NH2-O 3.03Å; R435-L543 HydrophobicContact CB-CD2 3.8Å; R435-L603 HydrophobicContact CG-CB 3.99Å; R435-L603 HydrophobicContact CG-CD1 4.01Å; R435-D604 IonicContact CZ-OD1 2.8Å; R435-D604 IonicContact NE-OD1 3.4Å; R435-D604 PolarHBondContact NE-OD1 3.02Å; R435-D604 IonicContact NH2-OD1 3.04Å; R435-D604 PolarHBondContact NH2-OD1 3.08Å
436	L	96.5	Very high	95	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-46.5	176.5	-173.1	66.6	0	0	0	112.1	M326 F328 L420 F432 R434 L439 M440 I455 M488 L543	M326-L436 HydrophobicContact CE-CD2 3.91Å; M326-L436 HydrophobicContact SD-CD2 4.06Å; F328-L436 HydrophobicContact CE2-CD2 3.88Å; F328-L436 HydrophobicContact CE2-CG 4.42Å; F328-L436 HydrophobicContact CZ-CD2 4.19Å; F328-L436 HydrophobicContact CZ-CG 4.37Å; L420-L436 HydrophobicContact CD2-CD2 3.95Å; F432-L436 HydrophobicContact CE1-CD2 4.29Å; F432-L436 HydrophobicContact CE2-CD2 4.46Å; F432-L436 HydrophobicContact CZ-CD2 3.84Å; F432-L436 WeakPolarHBondContact O-CB 3.49Å; F432-L436 PolarHBondContact O-N 3.46Å; R434-L436 PolarHBondContact O-N 3.38Å; L436-L439 PolarHBondContact O-N 2.95Å; L436-M440 WeakPolarHBondContact O-CG 3.46Å; L436-M440 PolarHBondContact O-N 3.48Å; L436-I455 HydrophobicContact CD1-CG2 3.85Å; L436-M488 HydrophobicContact CD1-CE 3.99Å; L436-M488 HydrophobicContact CD1-SD 3.57Å; L436-M488 VanDerWaalsContact CD1-SD 3.57Å; L436-M488 HydrophobicContact CG-SD 4.46Å; L436-L543 HydrophobicContact CB-CD1 4.07Å; L436-L543 HydrophobicContact CD1-CD1 3.68Å
437	M	96.4	Very high	95.2	Very high	75 Å²	75	50.2 Å²	50.2	37%	0.369	25%	0.248	S	C	.	.	H	α-helix	trans	-65.2	-39.4	179.4	-72.7	177.2	66.8	0	0	112.5	M326 K433 R434 M440 S441	M326-M437 HydrophobicContact CB-CG 4.04Å; M326-M437 HydrophobicContact CB-SD 4.4Å; M326-M437 HydrophobicContact CG-CG 4.3Å; M326-M437 HydrophobicContact CG-SD 4.29Å; K433-M437 HydrophobicContact CG-SD 3.97Å; K433-M437 WeakPolarHBondContact O-CB 3.45Å; K433-M437 VanDerWaalsContact O-CG 3.23Å; K433-M437 WeakPolarHBondContact O-CG 3.48Å; K433-M437 PolarHBondContact O-N 3.03Å; R434-M437 PolarHBondContact O-N 3.15Å; M437-M440 PolarHBondContact O-N 2.85Å; M437-S441 WeakPolarHBondContact O-CB 3.39Å; M437-S441 PolarHBondContact O-N 2.88Å; M437-S441 PolarHBondContact O-OG 3.04Å
438	N	95.8	Very high	95.5	Very high	69 Å²	69	48.8 Å²	48.8	37%	0.369	25%	0.245	S	C	.	.	H	α-helix	trans	-63.4	-47.3	175	-73.7	0.9	0	0	0	111	R434 M440 S441 E442 L603	R434-N438 WeakPolarHBondContact O-CB 3.49Å; R434-N438 PolarHBondContact O-N 3.2Å; R434-N438 PolarHBondContact O-OD1 3.45Å; N438-M440 VanDerWaalsContact C-N 3.31Å; N438-M440 PolarHBondContact O-N 3.29Å; N438-S441 PolarHBondContact O-N 3.49Å; N438-E442 PolarHBondContact O-N 3.5Å; N438-L603 WeakPolarHBondContact ND2-CD1 3.42Å
439	L	96.6	Very high	95.7	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.047	26%	0.264	C	S	.	.	H	α-helix	trans	-55.8	-47.3	175.8	173.7	60.7	0	0	0	111.1	R435 L436 S441 E442 V443 I472 L475 M488 A539	R435-L439 WeakPolarHBondContact O-CB 3.42Å; R435-L439 PolarHBondContact O-N 3.35Å; L436-L439 PolarHBondContact O-N 2.95Å; L439-S441 VanDerWaalsContact C-N 3.32Å; L439-S441 PolarHBondContact O-N 3.36Å; L439-E442 PolarHBondContact O-N 3.45Å; L439-V443 HydrophobicContact CD1-CG2 4.12Å; L439-V443 HydrophobicContact CG-CG2 4.47Å; L439-V443 WeakPolarHBondContact O-CB 3.18Å; L439-V443 VanDerWaalsContact O-CG2 3.28Å; L439-V443 WeakPolarHBondContact O-CG2 3.49Å; L439-V443 PolarHBondContact O-N 3.27Å; L439-I472 HydrophobicContact CD1-CG2 3.88Å; L439-L475 HydrophobicContact CD1-CB 4.04Å; L439-L475 HydrophobicContact CD1-CD1 4.1Å; L439-L475 HydrophobicContact CD1-CD2 4.37Å; L439-L475 HydrophobicContact CD1-CG 4.4Å; L439-L475 HydrophobicContact CD2-CD1 4.45Å; L439-M488 HydrophobicContact CD2-CE 4.21Å; L439-A539 HydrophobicContact CD2-CB 4.18Å
440	M	97	Very high	96	Very high	29 Å²	29	51.9 Å²	51.9	14%	0.143	26%	0.261	C	S	.	.	H	α-helix	trans	-66.2	-34.4	179.6	-72.6	-51.4	-58.1	0	0	113.3	F328 L436 M437 N438 V443 E444 W450 M488	F328-M440 HydrophobicContact CE1-CE 4.36Å; F328-M440 HydrophobicContact CE1-CG 4.2Å; F328-M440 HydrophobicContact CE1-SD 4.37Å; F328-M440 HydrophobicContact CZ-CG 3.85Å; F328-M440 HydrophobicContact CZ-SD 4.46Å; L436-M440 WeakPolarHBondContact O-CG 3.46Å; L436-M440 PolarHBondContact O-N 3.48Å; M437-M440 PolarHBondContact O-N 2.85Å; N438-M440 VanDerWaalsContact C-N 3.31Å; N438-M440 PolarHBondContact O-N 3.29Å; M440-V443 HydrophobicContact CE-CG1 4.39Å; M440-V443 PolarHBondContact O-N 2.96Å; M440-E444 WeakPolarHBondContact O-CB 3.18Å; M440-E444 PolarHBondContact O-N 2.96Å; M440-W450 HydrophobicContact CE-CZ2 3.8Å; M440-M488 HydrophobicContact CG-SD 3.82Å; M440-M488 HydrophobicContact SD-CE 3.67Å; M440-M488 HydrophobicContact SD-SD 3.3Å
441	S	96.8	Very high	96.4	Very high	71 Å²	71	51.9 Å²	51.9	50%	0.497	26%	0.261	S	S	.	.	H	α-helix	trans	-66	-39.9	175.6	-59.3	0	0	0	0	111.6	M437 N438 L439 Y445	M437-S441 WeakPolarHBondContact O-CB 3.39Å; M437-S441 PolarHBondContact O-N 2.88Å; M437-S441 PolarHBondContact O-OG 3.04Å; N438-S441 PolarHBondContact O-N 3.49Å; L439-S441 VanDerWaalsContact C-N 3.32Å; L439-S441 PolarHBondContact O-N 3.36Å; S441-Y445 WeakPolarHBondContact O-CB 3.49Å; S441-Y445 PolarHBondContact O-N 2.99Å
442	E	97	Very high	96.7	Very high	50 Å²	50	51.5 Å²	51.5	23%	0.234	26%	0.26	C	S	.	.	H	α-helix	trans	-70.2	-40.8	175.6	-69.2	-174.3	-163.9	0	0	112.2	N438 L439 E444 Y445 E446 I472 H473	N438-E442 PolarHBondContact O-N 3.5Å; L439-E442 PolarHBondContact O-N 3.45Å; E442-E444 VanDerWaalsContact C-N 3.32Å; E442-E444 PolarHBondContact O-N 2.78Å; E442-Y445 PolarHBondContact O-N 2.84Å; E442-E446 WeakPolarHBondContact O-CB 3.22Å; E442-E446 PolarHBondContact O-N 2.81Å; E442-I472 HydrophobicContact CB-CG2 4.08Å; E442-H473 VanDerWaalsContact CD-ND1 3.33Å; E442-H473 IonicContact OE1-CE1 2.99Å; E442-H473 IonicContact OE1-CG 2.62Å; E442-H473 IonicContact OE1-ND1 2.78Å; E442-H473 PolarHBondContact OE1-ND1 2.99Å; E442-H473 VanDerWaalsContact OE1-ND1 3.07Å; E442-H473 WeakPolarHBondContact OE2-CB 3.33Å; E442-H473 IonicContact OE2-CG 2.7Å; E442-H473 PolarHBondContact OE2-N 3.37Å; E442-H473 IonicContact OE2-ND1 3.34Å; E442-H473 PolarHBondContact OE2-ND1 3.09Å
443	V	97.1	Very high	96.9	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-57.8	-44.3	174.3	164	0	0	0	0	111.5	L439 M440 G447 L448 W450 I453 I472 L475	L439-V443 HydrophobicContact CD1-CG2 4.12Å; L439-V443 HydrophobicContact CG-CG2 4.47Å; L439-V443 WeakPolarHBondContact O-CB 3.18Å; L439-V443 VanDerWaalsContact O-CG2 3.28Å; L439-V443 WeakPolarHBondContact O-CG2 3.49Å; L439-V443 PolarHBondContact O-N 3.27Å; M440-V443 HydrophobicContact CE-CG1 4.39Å; M440-V443 PolarHBondContact O-N 2.96Å; V443-G447 PolarHBondContact O-N 2.9Å; V443-L448 HydrophobicContact CG1-CB 4.3Å; V443-L448 HydrophobicContact CG2-CD2 4.34Å; V443-L448 PolarHBondContact O-N 3.09Å; V443-L448 VanDerWaalsContact O-N 3.11Å; V443-W450 HydrophobicContact CG1-CG 4.37Å; V443-W450 VanDerWaalsContact CG1-NE1 3.27Å; V443-I453 HydrophobicContact CG1-CD1 4.48Å; V443-I453 HydrophobicContact CG2-CD1 4.22Å; V443-I472 HydrophobicContact CG2-CD1 4.3Å; V443-I472 HydrophobicContact CG2-CG2 4.26Å; V443-L475 HydrophobicContact CG2-CD2 4.01Å
444	E	96.4	Very high	97.1	Very high	165 Å²	165	49.6 Å²	49.6	77%	0.771	25%	0.251	S	S	*	.	H	α-helix	trans	-69.1	-44.9	176.8	-174.4	176.5	-174.1	0	0	111.8	M440 E442 G447	M440-E444 WeakPolarHBondContact O-CB 3.18Å; M440-E444 PolarHBondContact O-N 2.96Å; E442-E444 VanDerWaalsContact C-N 3.32Å; E442-E444 PolarHBondContact O-N 2.78Å; E444-G447 PolarHBondContact O-N 3.13Å; E444-G447 VanDerWaalsContact O-N 3.14Å
445	Y	97.1	Very high	97.2	Very high	193 Å²	193	45.9 Å²	45.9	76%	0.757	24%	0.238	S	C	*	.	H	α-helix	trans	-63	-44.4	-178.5	178.3	-95.4	0	0	0	113	S441 E442 G447	S441-Y445 WeakPolarHBondContact O-CB 3.49Å; S441-Y445 PolarHBondContact O-N 2.99Å; E442-Y445 PolarHBondContact O-N 2.84Å; Y445-G447 PolarHBondContact O-N 2.66Å
446	E	97.5	Very high	97.2	Very high	83 Å²	83	45.3 Å²	45.3	39%	0.388	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.6	177.3	-66.5	-66.2	134.7	0	0	112.5	E442 L448 N471 I472	E442-E446 WeakPolarHBondContact O-CB 3.22Å; E442-E446 PolarHBondContact O-N 2.81Å; E446-L448 VanDerWaalsContact C-N 3.32Å; E446-L448 PolarHBondContact O-N 3.45Å; E446-N471 HydrophobicContact CG-CB 4.16Å; E446-N471 WeakPolarHBondContact OE2-CB 3.38Å; E446-N471 PolarHBondContact OE2-ND2 3.11Å; E446-I472 HydrophobicContact CB-CD1 4Å; E446-I472 HydrophobicContact CB-CG1 4.01Å; E446-I472 HydrophobicContact CG-CD1 4.35Å; E446-I472 HydrophobicContact CG-CG1 3.79Å
447	G	96.6	Very high	97	Very high	60 Å²	60	45.7 Å²	45.7	62%	0.619	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	37.9	179.2	0	0	0	0	0	112.9	V443 E444 Y445 D449	V443-G447 PolarHBondContact O-N 2.9Å; E444-G447 PolarHBondContact O-N 3.13Å; E444-G447 VanDerWaalsContact O-N 3.14Å; Y445-G447 PolarHBondContact O-N 2.66Å; G447-D449 PolarHBondContact O-N 3Å
448	L	97.9	Very high	96.7	Very high	42 Å²	42	45.1 Å²	45.1	22%	0.22	23%	0.232	C	C	.	.			trans	-62.6	128.4	-179.8	-178.7	69.8	0	0	0	110	V443 E446 W450 V469 I472 L475 F537	V443-L448 HydrophobicContact CG1-CB 4.3Å; V443-L448 HydrophobicContact CG2-CD2 4.34Å; V443-L448 PolarHBondContact O-N 3.09Å; V443-L448 VanDerWaalsContact O-N 3.11Å; E446-L448 VanDerWaalsContact C-N 3.32Å; E446-L448 PolarHBondContact O-N 3.45Å; L448-W450 HydrophobicContact CD2-CB 4.3Å; L448-W450 HydrophobicContact CG-CB 4.39Å; L448-W450 VanDerWaalsContact O-CD1 3.27Å; L448-W450 PolarHBondContact O-N 2.89Å; L448-V469 HydrophobicContact CD1-CG1 4.09Å; L448-V469 HydrophobicContact CD2-CG1 4.46Å; L448-I472 HydrophobicContact CB-CD1 3.87Å; L448-I472 HydrophobicContact CD2-CD1 3.89Å; L448-I472 HydrophobicContact CG-CD1 4.31Å; L448-L475 HydrophobicContact CD2-CD2 3.54Å; L448-F537 HydrophobicContact CD1-CE1 4.33Å; L448-F537 HydrophobicContact CD1-CE2 4.46Å; L448-F537 HydrophobicContact CD1-CZ 3.88Å; L448-F537 HydrophobicContact CD2-CD2 4.25Å; L448-F537 HydrophobicContact CD2-CE1 4.3Å; L448-F537 HydrophobicContact CD2-CE2 4.02Å; L448-F537 HydrophobicContact CD2-CG 4.5Å; L448-F537 HydrophobicContact CD2-CZ 4.04Å; L448-F537 HydrophobicContact CG-CE2 4.31Å; L448-F537 HydrophobicContact CG-CZ 4.21Å
449	D	97.6	Very high	96.3	Very high	78 Å²	78	43.4 Å²	43.4	42%	0.417	22%	0.22	S	C	.	.			trans	-83.7	104.6	171.8	-176.2	-14.6	0	0	0	109.1	G447 K535	G447-D449 PolarHBondContact O-N 3Å; D449-K535 HydrophobicContact CB-CD 4.43Å; D449-K535 VanDerWaalsContact O-CD 3.26Å; D449-K535 WeakPolarHBondContact O-CD 3.27Å; D449-K535 IonicContact OD1-NZ 3.69Å; D449-K535 PolarHBondContact OD1-NZ 3.4Å; D449-K535 IonicContact OD2-NZ 2.95Å; D449-K535 PolarHBondContact OD2-NZ 3.47Å
450	W	98.4	Very high	95.7	Very high	24 Å²	24	44.3 Å²	44.3	9%	0.091	23%	0.225	C	C	.	.			trans	-132.3	147.5	-175.4	69.4	-87.5	0	0	0	112.2	T418 M440 V443 L448 I453 M488 S490 F537	T418-W450 HydrophobicContact CG2-CH2 4.31Å; T418-W450 HydrophobicContact CG2-CZ2 3.87Å; M440-W450 HydrophobicContact CE-CZ2 3.8Å; V443-W450 HydrophobicContact CG1-CG 4.37Å; V443-W450 VanDerWaalsContact CG1-NE1 3.27Å; L448-W450 HydrophobicContact CD2-CB 4.3Å; L448-W450 HydrophobicContact CG-CB 4.39Å; L448-W450 VanDerWaalsContact O-CD1 3.27Å; L448-W450 PolarHBondContact O-N 2.89Å; W450-I453 HydrophobicContact CB-CD1 4.4Å; W450-I453 HydrophobicContact CB-CG1 4.41Å; W450-I453 HydrophobicContact CD2-CD1 3.69Å; W450-I453 HydrophobicContact CD2-CG1 3.91Å; W450-I453 HydrophobicContact CE3-CD1 3.84Å; W450-I453 HydrophobicContact CE3-CG1 3.57Å; W450-I453 HydrophobicContact CG-CD1 3.93Å; W450-I453 HydrophobicContact CG-CG1 4.27Å; W450-I453 HydrophobicContact CZ3-CD1 4.38Å; W450-I453 HydrophobicContact CZ3-CG1 4.13Å; W450-M488 HydrophobicContact CH2-CB 3.98Å; W450-M488 HydrophobicContact CZ3-CB 4.01Å; W450-S490 PolarHBondContact O-OG 3.2Å; W450-S490 VanDerWaalsContact O-OG 3.11Å; W450-F537 HydrophobicContact CB-CD2 3.76Å; W450-F537 HydrophobicContact CB-CE2 3.66Å
451	D	98.8	Very high	95	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-109.4	-39.3	175.8	-66.8	-60.1	0	0	0	112	I489 S490 Q492 G493 K496 L534 K535	D451-I489 WeakPolarHBondContact O-CA 3.38Å; D451-S490 WeakPolarHBondContact CA-OG 3.49Å; D451-S490 PolarHBondContact O-N 3.49Å; D451-Q492 WeakPolarHBondContact OD1-CG 3.46Å; D451-G493 PolarHBondContact OD1-N 3.36Å; D451-K496 IonicContact OD1-NZ 2.89Å; D451-K496 PolarHBondContact OD1-NZ 2.8Å; D451-K496 IonicContact OD2-NZ 3.25Å; D451-K496 PolarHBondContact OD2-NZ 2.8Å; D451-L534 HydrophobicContact CB-CD1 3.51Å; D451-L534 HydrophobicContact CB-CG 3.85Å; D451-L534 WeakPolarHBondContact OD2-CA 3.38Å; D451-K535 HydrophobicContact CB-CB 4.45Å; D451-K535 PolarHBondContact N-O 2.83Å; D451-K535 WeakPolarHBondContact OD2-CB 3.46Å; D451-K535 PolarHBondContact OD2-N 2.84Å
452	L	98.7	Very high	94.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	135.3	-177.8	-174.6	144.9	0	0	0	110.9	Y454 Y487 M488 L513 L534 K535 A536 F537	L452-Y454 HydrophobicContact CD2-CD1 4.05Å; L452-Y454 HydrophobicContact CD2-CD2 3.64Å; L452-Y454 HydrophobicContact CD2-CE1 3.87Å; L452-Y454 HydrophobicContact CD2-CE2 3.47Å; L452-Y454 VanDerWaalsContact CD2-CE2 3.47Å; L452-Y454 HydrophobicContact CD2-CG 3.94Å; L452-Y487 HydrophobicContact CD1-CD2 3.89Å; L452-Y487 HydrophobicContact CD1-CE2 4.29Å; L452-Y487 HydrophobicContact CD1-CG 4.21Å; L452-Y487 HydrophobicContact CG-CD2 4.14Å; L452-Y487 HydrophobicContact CG-CG 4.39Å; L452-M488 WeakPolarHBondContact CA-O 3.42Å; L452-L513 HydrophobicContact CD1-CD1 4.07Å; L452-L513 HydrophobicContact CD1-CD2 3.98Å; L452-L534 HydrophobicContact CB-CD2 4.34Å; L452-K535 PolarHBondContact N-O 2.89Å; L452-K535 VanDerWaalsContact N-O 3.15Å; L452-A536 HydrophobicContact CD2-CB 4.43Å; L452-A536 CarbonylContact O-C 3.54Å; L452-A536 VanDerWaalsContact O-CA 3.31Å; L452-A536 WeakPolarHBondContact O-CA 3.3Å; L452-F537 PolarHBondContact O-N 2.87Å
453	I	98.6	Very high	93.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	113	173.5	-53.2	177.7	0	0	0	109.1	V443 W450 L475 Y487 M488 F537	V443-I453 HydrophobicContact CG1-CD1 4.48Å; V443-I453 HydrophobicContact CG2-CD1 4.22Å; W450-I453 HydrophobicContact CB-CD1 4.4Å; W450-I453 HydrophobicContact CB-CG1 4.41Å; W450-I453 HydrophobicContact CD2-CD1 3.69Å; W450-I453 HydrophobicContact CD2-CG1 3.91Å; W450-I453 HydrophobicContact CE3-CD1 3.84Å; W450-I453 HydrophobicContact CE3-CG1 3.57Å; W450-I453 HydrophobicContact CG-CD1 3.93Å; W450-I453 HydrophobicContact CG-CG1 4.27Å; W450-I453 HydrophobicContact CZ3-CD1 4.38Å; W450-I453 HydrophobicContact CZ3-CG1 4.13Å; I453-L475 HydrophobicContact CG2-CD1 3.76Å; I453-Y487 CarbonylContact O-C 3.52Å; I453-Y487 VanDerWaalsContact O-CA 3.25Å; I453-Y487 WeakPolarHBondContact O-CA 3.16Å; I453-Y487 WeakPolarHBondContact O-CB 3.45Å; I453-M488 HydrophobicContact CB-CB 4.34Å; I453-M488 HydrophobicContact CB-CE 3.53Å; I453-M488 HydrophobicContact CD1-CE 3.99Å; I453-M488 HydrophobicContact CG1-CE 4.3Å; I453-M488 HydrophobicContact CG2-CE 3.46Å; I453-M488 VanDerWaalsContact CG2-CE 3.46Å; I453-M488 PolarHBondContact N-O 3.24Å; I453-M488 PolarHBondContact O-N 3.15Å; I453-F537 CarbonylContact C-O 3.55Å; I453-F537 WeakPolarHBondContact CA-O 3.43Å; I453-F537 HydrophobicContact CG1-CB 4.17Å; I453-F537 HydrophobicContact CG2-CB 4.39Å
454	Y	98.5	Very high	92.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	135.7	174	-68.5	-74.3	0	0	0	111.2	L452 R457 A478 L513 Y517 F537 S538 A539	L452-Y454 HydrophobicContact CD2-CD1 4.05Å; L452-Y454 HydrophobicContact CD2-CD2 3.64Å; L452-Y454 HydrophobicContact CD2-CE1 3.87Å; L452-Y454 HydrophobicContact CD2-CE2 3.47Å; L452-Y454 VanDerWaalsContact CD2-CE2 3.47Å; L452-Y454 HydrophobicContact CD2-CG 3.94Å; Y454-R457 HydrophobicContact CD1-CB 4.07Å; Y454-R457 HydrophobicContact CG-CB 4.23Å; Y454-R457 HydrophobicContact CG-CG 4.22Å; Y454-A478 HydrophobicContact CD2-CB 4.02Å; Y454-A478 HydrophobicContact CE2-CB 4.2Å; Y454-L513 HydrophobicContact CE1-CD1 4.25Å; Y454-L513 WeakPolarHBondContact OH-CB 3.5Å; Y454-L513 WeakPolarHBondContact OH-CD1 3.42Å; Y454-Y517 HydrophobicContact CE2-CE1 4.19Å; Y454-F537 WeakPolarHBondContact CD2-O 3.33Å; Y454-F537 PolarHBondContact N-O 3.21Å; Y454-S538 WeakPolarHBondContact O-CA 3.48Å; Y454-A539 PolarHBondContact O-N 2.78Å
455	I	97.4	Very high	91.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-17.2	169.9	63.2	155.5	0	0	0	112.1	L420 I422 F432 L436 G486 M488 L543 V544	L420-I455 HydrophobicContact CD1-CD1 3.68Å; L420-I455 HydrophobicContact CD1-CG1 4.41Å; I422-I455 HydrophobicContact CG2-CD1 4.19Å; F432-I455 HydrophobicContact CE2-CD1 4.04Å; F432-I455 HydrophobicContact CZ-CD1 4.19Å; L436-I455 HydrophobicContact CD1-CG2 3.85Å; I455-G486 VanDerWaalsContact CG1-O 3.25Å; I455-G486 WeakPolarHBondContact CG1-O 3.29Å; I455-G486 PolarHBondContact N-O 2.86Å; I455-M488 HydrophobicContact CG2-CE 3.87Å; I455-M488 HydrophobicContact CG2-CG 4.42Å; I455-M488 HydrophobicContact CG2-SD 4.46Å; I455-L543 HydrophobicContact CB-CB 4.24Å; I455-L543 HydrophobicContact CB-CD1 4.32Å; I455-L543 HydrophobicContact CG2-CD1 4.1Å; I455-L543 PolarHBondContact O-N 2.06Å; I455-V544 HydrophobicContact CD1-CG1 4.25Å; I455-V544 HydrophobicContact CD1-CG2 4.22Å; I455-V544 HydrophobicContact CG1-CG2 4.16Å; I455-V544 PolarHBondContact O-N 3.43Å; I455-V544 VanDerWaalsContact O-N 3.1Å
456	G	95	Very high	91.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	119.2	171.3	0	0	0	0	0	110.5	G486 V544	G456-G486 PolarHBondContact N-O 3.46Å; G456-G486 PolarHBondContact O-N 3.1Å; G456-V544 WeakPolarHBondContact CA-O 3.48Å
457	R	92.8	Very high	91.5	Very high	9 Å²	9	39.1 Å²	39.1	3%	0.034	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	171	179.3	58.3	162	-179.7	126.7	9.2	110.1	Y454 E466 S481 Y482 S538 L542	Y454-R457 HydrophobicContact CD1-CB 4.07Å; Y454-R457 HydrophobicContact CG-CB 4.23Å; Y454-R457 HydrophobicContact CG-CG 4.22Å; R457-E466 IonicContact CZ-OE1 2.77Å; R457-E466 IonicContact CZ-OE2 3.51Å; R457-E466 IonicContact NH1-OE1 3.67Å; R457-E466 PolarHBondContact NH1-OE1 3.31Å; R457-E466 IonicContact NH1-OE2 2.6Å; R457-E466 IonicContact NH2-OE1 2.84Å; R457-E466 PolarHBondContact NH2-OE1 3Å; R457-E466 IonicContact NH2-OE2 3.43Å; R457-E466 PolarHBondContact NH2-OE2 3.32Å; R457-S481 VanDerWaalsContact CD-OG 3.22Å; R457-S481 WeakPolarHBondContact CD-OG 3.31Å; R457-S481 PolarHBondContact NH1-OG 2.84Å; R457-Y482 CarbonylContact C-O 3.46Å; R457-S538 PolarHBondContact NE-OG 3.41Å; R457-S538 PolarHBondContact NH2-OG 2.7Å; R457-L542 HydrophobicContact CG-CD1 4.5Å; R457-L542 HydrophobicContact CG-CD2 3.89Å; R457-L542 WeakPolarHBondContact O-CD1 3.35Å
458	K	89.3	Confident	91.4	Very high	63 Å²	63	37.2 Å²	37.2	27%	0.274	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	108.4	163.3	-179	-177.2	-178.4	-171.7	0	109	M460 S481 Y482 W483	K458-M460 HydrophobicContact CD-SD 3.59Å; K458-M460 VanDerWaalsContact CD-SD 3.59Å; K458-M460 WeakPolarHBondContact CE-SD 3.42Å; K458-M460 HydrophobicContact CG-SD 3.75Å; K458-M460 PolarHBondContact O-N 3.11Å; K458-S481 CarbonylContact O-C 3.57Å; K458-S481 WeakPolarHBondContact O-CA 3.32Å; K458-Y482 PolarHBondContact N-O 2.89Å; K458-Y482 PolarHBondContact O-N 3.18Å; K458-W483 HydrophobicContact CB-CD2 3.55Å; K458-W483 HydrophobicContact CB-CE3 3.53Å; K458-W483 HydrophobicContact CB-CG 4.05Å; K458-W483 HydrophobicContact CB-CH2 4.18Å; K458-W483 HydrophobicContact CB-CZ2 4.25Å; K458-W483 HydrophobicContact CB-CZ3 3.84Å; K458-W483 HydrophobicContact CD-CD2 4.4Å; K458-W483 HydrophobicContact CD-CH2 4.08Å; K458-W483 HydrophobicContact CD-CZ2 3.74Å; K458-W483 HydrophobicContact CG-CH2 4.38Å; K458-W483 HydrophobicContact CG-CZ2 4.44Å; K458-W483 HydrophobicContact CG-CZ3 4.44Å
459	R	87.9	Confident	91.3	Very high	32 Å²	32	35.7 Å²	35.7	12%	0.121	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	123.5	170.2	178.8	174.8	169	-178.4	-10.7	109.5	Q461 H464 E466 A593 N595	R459-Q461 WeakPolarHBondContact CG-O 3.5Å; R459-Q461 PolarHBondContact NE-O 3.37Å; R459-H464 PolarHBondContact NH2-O 3.01Å; R459-E466 WeakPolarHBondContact CD-OE2 3.2Å; R459-E466 IonicContact CZ-OE2 3.13Å; R459-E466 IonicContact NE-OE2 3.72Å; R459-E466 IonicContact NH1-OE2 2.76Å; R459-E466 PolarHBondContact NH1-OE2 3.46Å; R459-A593 PolarHBondContact NH2-O 2.76Å; R459-N595 VanDerWaalsContact NH1-CG 3.32Å; R459-N595 PolarHBondContact NH1-ND2 2.8Å; R459-N595 PolarHBondContact NH1-OD1 3.17Å
460	M	83.6	Confident	91.1	Very high	29 Å²	29	36.4 Å²	36.4	14%	0.143	18%	0.182	C	C	.	.			trans	-97.5	-21.6	179.4	-63.9	-55.9	-69	0	0	112.4	Y388 K458 V462 Y480 Y482	Y388-M460 HydrophobicContact CD1-CE 4.3Å; Y388-M460 HydrophobicContact CD2-CE 4.04Å; Y388-M460 HydrophobicContact CE1-CE 3.77Å; Y388-M460 HydrophobicContact CE2-CE 3.46Å; Y388-M460 VanDerWaalsContact CE2-CE 3.46Å; Y388-M460 HydrophobicContact CG-CE 4.42Å; K458-M460 HydrophobicContact CD-SD 3.59Å; K458-M460 VanDerWaalsContact CD-SD 3.59Å; K458-M460 WeakPolarHBondContact CE-SD 3.42Å; K458-M460 HydrophobicContact CG-SD 3.75Å; K458-M460 PolarHBondContact O-N 3.11Å; M460-V462 PolarHBondContact O-N 3.26Å; M460-Y480 HydrophobicContact CB-CD1 3.59Å; M460-Y480 HydrophobicContact CB-CE1 4.06Å; M460-Y480 HydrophobicContact CB-CG 4.23Å; M460-Y480 HydrophobicContact CG-CD1 4.33Å; M460-Y480 HydrophobicContact CG-CE1 4.42Å; M460-Y480 PolarHBondContact N-O 3.13Å; M460-Y482 HydrophobicContact CE-CD2 3.83Å; M460-Y482 HydrophobicContact CE-CE2 3.88Å; M460-Y482 HydrophobicContact CE-CG 4.48Å; M460-Y482 HydrophobicContact CG-CD1 3.94Å; M460-Y482 HydrophobicContact CG-CD2 3.98Å; M460-Y482 HydrophobicContact CG-CG 3.67Å; M460-Y482 HydrophobicContact SD-CD2 3.64Å; M460-Y482 HydrophobicContact SD-CE2 4.3Å; M460-Y482 HydrophobicContact SD-CG 3.87Å
461	Q	81.3	Confident	90.8	Very high	34 Å²	34	40.1 Å²	40.1	16%	0.159	20%	0.204	C	C	.	.			trans	-77.7	114.7	173.5	178.7	47.7	-102.1	0	0	111.5	R459 H464 D479	R459-Q461 WeakPolarHBondContact CG-O 3.5Å; R459-Q461 PolarHBondContact NE-O 3.37Å; Q461-H464 VanDerWaalsContact CD-ND1 3.34Å; Q461-H464 VanDerWaalsContact CG-CE1 3.41Å; Q461-H464 WeakPolarHBondContact CG-CE1 3.35Å; Q461-H464 WeakPolarHBondContact CG-NE2 3.01Å; Q461-H464 PolarHBondContact NE2-CE1 3.33Å; Q461-H464 PolarHBondContact OE1-ND1 2.98Å; Q461-D479 HydrophobicContact CB-CB 4Å; Q461-D479 HydrophobicContact CG-CB 4.28Å
462	V	78.1	Confident	90.6	Very high	35 Å²	35	40.3 Å²	40.3	21%	0.212	20%	0.204	C	C	.	.			trans	-120.5	-2.8	-174.1	-63.3	0	0	0	0	114.6	M460 A587 S590 A593	M460-V462 PolarHBondContact O-N 3.26Å; V462-A587 HydrophobicContact CG1-CB 4.39Å; V462-S590 WeakPolarHBondContact O-CB 3.06Å; V462-S590 PolarHBondContact O-OG 2.85Å; V462-A593 VanDerWaalsContact C-CB 3.5Å; V462-A593 WeakPolarHBondContact O-CB 3.33Å
463	D	76.4	Confident	90.4	Very high	123 Å²	123	42.9 Å²	42.9	66%	0.658	22%	0.216	S	C	*	.	S	Bend	trans	-95.4	-33	-174.2	-61.2	-36.4	0	0	0	112.4
464	H	83	Confident	90.2	Very high	86 Å²	86	43.6 Å²	43.6	40%	0.398	22%	0.22	S	C	.	.	S	Bend	trans	-131.8	157.8	179.3	62.8	-99.3	0	0	0	113	R459 Q461 D479	R459-H464 PolarHBondContact NH2-O 3.01Å; Q461-H464 VanDerWaalsContact CD-ND1 3.34Å; Q461-H464 VanDerWaalsContact CG-CE1 3.41Å; Q461-H464 WeakPolarHBondContact CG-CE1 3.35Å; Q461-H464 WeakPolarHBondContact CG-NE2 3.01Å; Q461-H464 PolarHBondContact NE2-CE1 3.33Å; Q461-H464 PolarHBondContact OE1-ND1 2.98Å; H464-D479 IonicContact CD2-OD2 3.95Å; H464-D479 IonicContact CE1-OD2 2.78Å; H464-D479 IonicContact NE2-OD2 2.79Å; H464-D479 PolarHBondContact NE2-OD2 3.14Å
465	K	85.7	Confident	90.1	Very high	80 Å²	80	43.6 Å²	43.6	35%	0.348	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-69.3	144.3	177.5	-56.2	-173.5	-176.8	-171.3	0	111.7	E592 Q594 T596	K465-E592 WeakPolarHBondContact CE-O 3.15Å; K465-E592 WeakPolarHBondContact CG-O 3.48Å; K465-Q594 WeakPolarHBondContact CD-O 3.35Å; K465-Q594 WeakPolarHBondContact CE-O 3.21Å; K465-Q594 WeakPolarHBondContact CG-O 3.33Å; K465-Q594 PolarHBondContact NZ-O 2.59Å; K465-T596 PolarHBondContact NZ-OG1 2.92Å
466	E	91.9	Very high	90.1	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.009	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-76.6	143.2	165.2	-73.7	169.5	143.3	0	0	109.3	R457 R459 A468 V476 D479 N595	R457-E466 IonicContact CZ-OE1 2.77Å; R457-E466 IonicContact CZ-OE2 3.51Å; R457-E466 IonicContact NH1-OE1 3.67Å; R457-E466 PolarHBondContact NH1-OE1 3.31Å; R457-E466 IonicContact NH1-OE2 2.6Å; R457-E466 IonicContact NH2-OE1 2.84Å; R457-E466 PolarHBondContact NH2-OE1 3Å; R457-E466 IonicContact NH2-OE2 3.43Å; R457-E466 PolarHBondContact NH2-OE2 3.32Å; R459-E466 WeakPolarHBondContact CD-OE2 3.2Å; R459-E466 IonicContact CZ-OE2 3.13Å; R459-E466 IonicContact NE-OE2 3.72Å; R459-E466 IonicContact NH1-OE2 2.76Å; R459-E466 PolarHBondContact NH1-OE2 3.46Å; E466-A468 PolarHBondContact O-N 2.92Å; E466-V476 HydrophobicContact CB-CB 3.85Å; E466-V476 HydrophobicContact CB-CG1 4.33Å; E466-V476 HydrophobicContact CB-CG2 3.88Å; E466-D479 HydrophobicContact CG-CB 3.94Å; E466-D479 PolarHBondContact OE1-N 3.14Å; E466-N595 PolarHBondContact N-OD1 3.48Å; E466-N595 PolarHBondContact OE2-ND2 3.44Å
467	K	93.5	Very high	90.2	Very high	124 Å²	124	46.9 Å²	46.9	54%	0.539	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-77	121.2	-174	179.5	176.1	162.9	-135.7	0	109.8	V476 E477	K467-V476 CarbonylContact O-C 3.59Å; K467-V476 VanDerWaalsContact O-CA 3.27Å; K467-V476 WeakPolarHBondContact O-CA 3.34Å; K467-E477 HydrophobicContact CB-CB 4.43Å; K467-E477 WeakPolarHBondContact CD-OE1 3.43Å; K467-E477 WeakPolarHBondContact CE-OE1 3.5Å; K467-E477 IonicContact NZ-OE1 2.82Å; K467-E477 PolarHBondContact NZ-OE1 2.66Å; K467-E477 IonicContact NZ-OE2 2.73Å; K467-E477 PolarHBondContact O-N 2.98Å
468	A	95.4	Very high	90.4	Very high	20 Å²	20	46.6 Å²	46.6	17%	0.165	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-60.9	141.8	173.3	0	0	0	0	0	111.6	E466 V598	E466-A468 PolarHBondContact O-N 2.92Å; A468-V598 HydrophobicContact CB-CG2 3.9Å
469	V	95.9	Very high	90.6	Very high	11 Å²	11	44.3 Å²	44.3	7%	0.067	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-81.1	123.8	173.3	-175.9	0	0	0	0	108.7	L448 I472 L475 F537	L448-V469 HydrophobicContact CD1-CG1 4.09Å; L448-V469 HydrophobicContact CD2-CG1 4.46Å; V469-I472 HydrophobicContact CB-CB 4.49Å; V469-I472 HydrophobicContact CG1-CB 4.3Å; V469-I472 HydrophobicContact CG1-CD1 3.95Å; V469-I472 HydrophobicContact CG1-CG1 4.36Å; V469-L475 HydrophobicContact CB-CB 4.23Å; V469-L475 HydrophobicContact CB-CD2 4.19Å; V469-L475 HydrophobicContact CB-CG 4.3Å; V469-L475 HydrophobicContact CG1-CD2 4.39Å; V469-L475 HydrophobicContact CG2-CB 4.16Å; V469-L475 HydrophobicContact CG2-CD2 3.91Å; V469-L475 HydrophobicContact CG2-CG 3.8Å; V469-L475 PolarHBondContact N-O 3.03Å; V469-F537 HydrophobicContact CG2-CD1 3.5Å; V469-F537 HydrophobicContact CG2-CE1 3.64Å
470	P	92.5	Very high	90.8	Very high	92 Å²	92	43.1 Å²	43.1	60%	0.597	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	141.8	179.1	-24.4	34.5	0	0	0	112.1	I472	P470-I472 PolarHBondContact O-N 2.76Å
471	N	92.4	Very high	91.2	Very high	103 Å²	103	41.8 Å²	41.8	55%	0.551	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	-3.3	176.9	-50.4	-28.2	0	0	0	117	E446	E446-N471 HydrophobicContact CG-CB 4.16Å; E446-N471 WeakPolarHBondContact OE2-CB 3.38Å; E446-N471 PolarHBondContact OE2-ND2 3.11Å
472	I	95.3	Very high	91.6	Very high	3 Å²	3	41 Å²	41	2%	0.015	21%	0.211	C	C	.	.			trans	-111.8	120.8	176.3	-57.9	174.6	0	0	0	108.5	L439 E442 V443 E446 L448 V469 P470 L475	L439-I472 HydrophobicContact CD1-CG2 3.88Å; E442-I472 HydrophobicContact CB-CG2 4.08Å; V443-I472 HydrophobicContact CG2-CD1 4.3Å; V443-I472 HydrophobicContact CG2-CG2 4.26Å; E446-I472 HydrophobicContact CB-CD1 4Å; E446-I472 HydrophobicContact CB-CG1 4.01Å; E446-I472 HydrophobicContact CG-CD1 4.35Å; E446-I472 HydrophobicContact CG-CG1 3.79Å; L448-I472 HydrophobicContact CB-CD1 3.87Å; L448-I472 HydrophobicContact CD2-CD1 3.89Å; L448-I472 HydrophobicContact CG-CD1 4.31Å; V469-I472 HydrophobicContact CB-CB 4.49Å; V469-I472 HydrophobicContact CG1-CB 4.3Å; V469-I472 HydrophobicContact CG1-CD1 3.95Å; V469-I472 HydrophobicContact CG1-CG1 4.36Å; P470-I472 PolarHBondContact O-N 2.76Å; I472-L475 HydrophobicContact CB-CB 4.41Å; I472-L475 HydrophobicContact CB-CD2 4.37Å; I472-L475 HydrophobicContact CD1-CD2 4.25Å; I472-L475 HydrophobicContact CG2-CB 3.82Å; I472-L475 HydrophobicContact CG2-CD2 3.8Å; I472-L475 HydrophobicContact CG2-CG 4.47Å
473	H	94.4	Very high	92.1	Very high	55 Å²	55	42.6 Å²	42.6	26%	0.255	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	146.2	177.5	-59.7	80.3	0	0	0	110.4	E442 L475 L599	E442-H473 VanDerWaalsContact CD-ND1 3.33Å; E442-H473 IonicContact OE1-CE1 2.99Å; E442-H473 IonicContact OE1-CG 2.62Å; E442-H473 IonicContact OE1-ND1 2.78Å; E442-H473 PolarHBondContact OE1-ND1 2.99Å; E442-H473 VanDerWaalsContact OE1-ND1 3.07Å; E442-H473 WeakPolarHBondContact OE2-CB 3.33Å; E442-H473 IonicContact OE2-CG 2.7Å; E442-H473 PolarHBondContact OE2-N 3.37Å; E442-H473 IonicContact OE2-ND1 3.34Å; E442-H473 PolarHBondContact OE2-ND1 3.09Å; H473-L475 PolarHBondContact O-N 3.12Å; H473-L599 CarbonylContact C-O 3.55Å; H473-L599 VanDerWaalsContact CA-O 3.3Å; H473-L599 WeakPolarHBondContact CA-O 3.49Å; H473-L599 HydrophobicContact CB-CB 4.43Å; H473-L599 VanDerWaalsContact CD2-CB 3.45Å; H473-L599 WeakPolarHBondContact CD2-CB 3.46Å
474	N	94.1	Very high	92.6	Very high	14 Å²	14	37 Å²	37	8%	0.075	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	30	169.7	-57.3	97.4	0	0	0	114.6	A539 E540 L599 H600 S601 D604	N474-A539 CarbonylContact O-C 3.51Å; N474-A539 VanDerWaalsContact O-CA 3.29Å; N474-A539 WeakPolarHBondContact O-CA 3.44Å; N474-E540 WeakPolarHBondContact CA-O 3.46Å; N474-E540 VanDerWaalsContact CB-O 3.23Å; N474-E540 WeakPolarHBondContact CB-O 3.47Å; N474-E540 PolarHBondContact ND2-O 2.9Å; N474-E540 PolarHBondContact O-N 3.14Å; N474-L599 PolarHBondContact N-O 3.42Å; N474-H600 PolarHBondContact ND2-ND1 3.02Å; N474-H600 VanDerWaalsContact ND2-ND1 3.18Å; N474-S601 WeakPolarHBondContact OD1-CB 3.43Å; N474-S601 PolarHBondContact OD1-N 3.03Å; N474-D604 PolarHBondContact ND2-OD2 2.77Å; N474-D604 PolarHBondContact OD1-OD2 3.27Å
475	L	97.1	Very high	93	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.3	-179.3	-164.8	65.1	0	0	0	110.9	L439 V443 L448 I453 V469 I472 H473 F537	L439-L475 HydrophobicContact CD1-CB 4.04Å; L439-L475 HydrophobicContact CD1-CD1 4.1Å; L439-L475 HydrophobicContact CD1-CD2 4.37Å; L439-L475 HydrophobicContact CD1-CG 4.4Å; L439-L475 HydrophobicContact CD2-CD1 4.45Å; V443-L475 HydrophobicContact CG2-CD2 4.01Å; L448-L475 HydrophobicContact CD2-CD2 3.54Å; I453-L475 HydrophobicContact CG2-CD1 3.76Å; V469-L475 HydrophobicContact CB-CB 4.23Å; V469-L475 HydrophobicContact CB-CD2 4.19Å; V469-L475 HydrophobicContact CB-CG 4.3Å; V469-L475 HydrophobicContact CG1-CD2 4.39Å; V469-L475 HydrophobicContact CG2-CB 4.16Å; V469-L475 HydrophobicContact CG2-CD2 3.91Å; V469-L475 HydrophobicContact CG2-CG 3.8Å; V469-L475 PolarHBondContact N-O 3.03Å; I472-L475 HydrophobicContact CB-CB 4.41Å; I472-L475 HydrophobicContact CB-CD2 4.37Å; I472-L475 HydrophobicContact CD1-CD2 4.25Å; I472-L475 HydrophobicContact CG2-CB 3.82Å; I472-L475 HydrophobicContact CG2-CD2 3.8Å; I472-L475 HydrophobicContact CG2-CG 4.47Å; H473-L475 PolarHBondContact O-N 3.12Å; L475-F537 HydrophobicContact CD1-CB 3.77Å; L475-F537 HydrophobicContact CD2-CB 4.47Å; L475-F537 HydrophobicContact CD2-CD1 4.48Å; L475-F537 HydrophobicContact CG-CB 4.13Å; L475-F537 HydrophobicContact CG-CD1 4.48Å
476	V	97.1	Very high	93.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	153.5	174.9	-61.7	0	0	0	0	110.9	E466 K467 A478 F537 S538 E540 V598	E466-V476 HydrophobicContact CB-CB 3.85Å; E466-V476 HydrophobicContact CB-CG1 4.33Å; E466-V476 HydrophobicContact CB-CG2 3.88Å; K467-V476 CarbonylContact O-C 3.59Å; K467-V476 VanDerWaalsContact O-CA 3.27Å; K467-V476 WeakPolarHBondContact O-CA 3.34Å; V476-A478 PolarHBondContact O-N 3.49Å; V476-F537 CarbonylContact O-C 3.54Å; V476-F537 WeakPolarHBondContact O-CA 3.48Å; V476-F537 WeakPolarHBondContact O-CB 3.41Å; V476-S538 WeakPolarHBondContact CG2-O 3.39Å; V476-S538 PolarHBondContact N-O 3.2Å; V476-S538 PolarHBondContact O-N 3.4Å; V476-E540 HydrophobicContact CG1-CB 3.97Å; V476-E540 HydrophobicContact CG1-CG 4.25Å; V476-E540 HydrophobicContact CG2-CB 4.26Å; V476-V598 HydrophobicContact CG1-CG2 3.42Å; V476-V598 VanDerWaalsContact CG1-CG2 3.42Å
477	E	97.2	Very high	93.9	Very high	69 Å²	69	29.5 Å²	29.5	32%	0.322	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	123.9	164.3	-67.4	177.4	-160.3	0	0	108.8	K467 F537	K467-E477 HydrophobicContact CB-CB 4.43Å; K467-E477 WeakPolarHBondContact CD-OE1 3.43Å; K467-E477 WeakPolarHBondContact CE-OE1 3.5Å; K467-E477 IonicContact NZ-OE1 2.82Å; K467-E477 PolarHBondContact NZ-OE1 2.66Å; K467-E477 IonicContact NZ-OE2 2.73Å; K467-E477 PolarHBondContact O-N 2.98Å; E477-F537 HydrophobicContact CG-CD1 4.21Å; E477-F537 HydrophobicContact CG-CE1 3.94Å
478	A	95.7	Very high	94.1	Very high	3 Å²	3	23.6 Å²	23.6	3%	0.025	12%	0.124	C	C	.	.			trans	-71.7	135.4	-175.2	0	0	0	0	0	111	Y454 V476 Y517 A536	Y454-A478 HydrophobicContact CD2-CB 4.02Å; Y454-A478 HydrophobicContact CE2-CB 4.2Å; V476-A478 PolarHBondContact O-N 3.49Å; A478-Y517 HydrophobicContact CB-CE2 4.37Å; A478-A536 HydrophobicContact CB-CB 4.11Å; A478-A536 PolarHBondContact N-O 3.19Å
479	D	93.9	Very high	94.3	Very high	15 Å²	15	22.6 Å²	22.6	8%	0.08	12%	0.116	C	C	.	.			trans	-100	-166.2	169.1	-143.5	-60.2	0	0	0	110.9	Q461 H464 E466 S481 Y517 K519	Q461-D479 HydrophobicContact CB-CB 4Å; Q461-D479 HydrophobicContact CG-CB 4.28Å; H464-D479 IonicContact CD2-OD2 3.95Å; H464-D479 IonicContact CE1-OD2 2.78Å; H464-D479 IonicContact NE2-OD2 2.79Å; H464-D479 PolarHBondContact NE2-OD2 3.14Å; E466-D479 HydrophobicContact CG-CB 3.94Å; E466-D479 PolarHBondContact OE1-N 3.14Å; D479-S481 PolarHBondContact O-N 2.76Å; D479-S481 PolarHBondContact O-OG 3.48Å; D479-Y517 PolarHBondContact O-OH 2.69Å; D479-K519 IonicContact OD2-NZ 2.87Å; D479-K519 PolarHBondContact OD2-NZ 3.21Å
480	Y	93.4	Very high	94.4	Very high	8 Å²	8	22.7 Å²	22.7	3%	0.031	12%	0.117	C	C	.	.	S	Bend	trans	-55.5	124.8	178.8	-171.9	-138.7	0	0	0	111.5	Y388 M460 Y482 E511 P514 K519 H520 P521	Y388-Y480 AromaticContact CE2-CE1 3.65Å; Y388-Y480 HydrophobicContact CE2-CE1 3.65Å; Y388-Y480 AromaticContact CZ-CE1 3.92Å; Y388-Y480 VanDerWaalsContact OH-CE1 3.31Å; Y388-Y480 WeakPolarHBondContact OH-CE1 3.16Å; M460-Y480 HydrophobicContact CB-CD1 3.59Å; M460-Y480 HydrophobicContact CB-CE1 4.06Å; M460-Y480 HydrophobicContact CB-CG 4.23Å; M460-Y480 HydrophobicContact CG-CD1 4.33Å; M460-Y480 HydrophobicContact CG-CE1 4.42Å; M460-Y480 PolarHBondContact N-O 3.13Å; Y480-Y482 HydrophobicContact CE1-CE1 4.32Å; Y480-Y482 HydrophobicContact CE2-CD1 4.5Å; Y480-Y482 HydrophobicContact CE2-CE1 4.08Å; Y480-Y482 AromaticContact CZ-CE1 3.6Å; Y480-Y482 WeakPolarHBondContact OH-CE1 3.35Å; Y480-Y482 PolarHBondContact OH-OH 2.92Å; Y480-E511 VanDerWaalsContact CE2-OE2 3.27Å; Y480-E511 WeakPolarHBondContact CE2-OE2 3.08Å; Y480-E511 VanDerWaalsContact OH-CD 3.23Å; Y480-E511 PolarHBondContact OH-OE1 2.67Å; Y480-E511 VanDerWaalsContact OH-OE1 3.06Å; Y480-E511 PolarHBondContact OH-OE2 3.24Å; Y480-P514 HydrophobicContact CD2-CB 3.71Å; Y480-P514 HydrophobicContact CD2-CG 3.84Å; Y480-P514 HydrophobicContact CE2-CB 4.12Å; Y480-P514 HydrophobicContact CE2-CG 4.06Å; Y480-K519 VanDerWaalsContact CB-O 3.29Å; Y480-K519 WeakPolarHBondContact CB-O 3.07Å; Y480-H520 AromaticContact CE2-CD2 3.87Å; Y480-P521 HydrophobicContact CD1-CG 3.95Å; Y480-P521 HydrophobicContact CE1-CG 3.52Å; Y480-P521 HydrophobicContact CE2-CG 4.3Å; Y480-P521 HydrophobicContact CG-CG 4.48Å; Y480-P521 VanDerWaalsContact CZ-CD 3.45Å
481	S	91.6	Very high	94.7	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	136.5	-165.4	-62.1	0	0	0	0	111	R457 K458 D479	R457-S481 VanDerWaalsContact CD-OG 3.22Å; R457-S481 WeakPolarHBondContact CD-OG 3.31Å; R457-S481 PolarHBondContact NH1-OG 2.84Å; K458-S481 CarbonylContact O-C 3.57Å; K458-S481 WeakPolarHBondContact O-CA 3.32Å; D479-S481 PolarHBondContact O-N 2.76Å; D479-S481 PolarHBondContact O-OG 3.48Å
482	Y	88.3	Confident	95	Very high	17 Å²	17	18.5 Å²	18.5	7%	0.067	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	166.9	167.8	-80.8	1.1	0	0	0	111.4	Y388 R457 K458 M460 Y480 E511	Y388-Y482 AromaticContact CD2-CE2 3.81Å; Y388-Y482 HydrophobicContact CD2-CE2 3.81Å; Y388-Y482 AromaticContact CD2-CZ 3.72Å; Y388-Y482 WeakPolarHBondContact CD2-OH 3.37Å; Y388-Y482 HydrophobicContact CE2-CE1 4.46Å; Y388-Y482 AromaticContact CE2-CE2 3.95Å; Y388-Y482 HydrophobicContact CE2-CE2 3.95Å; Y388-Y482 AromaticContact CE2-CZ 3.71Å; Y388-Y482 WeakPolarHBondContact CE2-OH 3.19Å; R457-Y482 CarbonylContact C-O 3.46Å; K458-Y482 PolarHBondContact N-O 2.89Å; K458-Y482 PolarHBondContact O-N 3.18Å; M460-Y482 HydrophobicContact CE-CD2 3.83Å; M460-Y482 HydrophobicContact CE-CE2 3.88Å; M460-Y482 HydrophobicContact CE-CG 4.48Å; M460-Y482 HydrophobicContact CG-CD1 3.94Å; M460-Y482 HydrophobicContact CG-CD2 3.98Å; M460-Y482 HydrophobicContact CG-CG 3.67Å; M460-Y482 HydrophobicContact SD-CD2 3.64Å; M460-Y482 HydrophobicContact SD-CE2 4.3Å; M460-Y482 HydrophobicContact SD-CG 3.87Å; Y480-Y482 HydrophobicContact CE1-CE1 4.32Å; Y480-Y482 HydrophobicContact CE2-CD1 4.5Å; Y480-Y482 HydrophobicContact CE2-CE1 4.08Å; Y480-Y482 AromaticContact CZ-CE1 3.6Å; Y480-Y482 WeakPolarHBondContact OH-CE1 3.35Å; Y480-Y482 PolarHBondContact OH-OH 2.92Å; Y482-E511 VanDerWaalsContact CE1-CD 3.49Å; Y482-E511 HydrophobicContact CE1-CG 4.34Å; Y482-E511 VanDerWaalsContact CE1-OE1 3.26Å; Y482-E511 WeakPolarHBondContact CE1-OE1 3.4Å; Y482-E511 VanDerWaalsContact CZ-OE1 3.3Å; Y482-E511 PolarHBondContact OH-OE1 2.8Å
483	W	88.5	Confident	95.1	Very high	69 Å²	69	18.4 Å²	18.4	26%	0.261	9%	0.086	S	C	.	.	E	Extended strand (participates in β ladder)	trans	65	144.2	-179.7	-50.6	-19.7	0	0	0	115.2	K458 L485 D510 P546 Y549	K458-W483 HydrophobicContact CB-CD2 3.55Å; K458-W483 HydrophobicContact CB-CE3 3.53Å; K458-W483 HydrophobicContact CB-CG 4.05Å; K458-W483 HydrophobicContact CB-CH2 4.18Å; K458-W483 HydrophobicContact CB-CZ2 4.25Å; K458-W483 HydrophobicContact CB-CZ3 3.84Å; K458-W483 HydrophobicContact CD-CD2 4.4Å; K458-W483 HydrophobicContact CD-CH2 4.08Å; K458-W483 HydrophobicContact CD-CZ2 3.74Å; K458-W483 HydrophobicContact CG-CH2 4.38Å; K458-W483 HydrophobicContact CG-CZ2 4.44Å; K458-W483 HydrophobicContact CG-CZ3 4.44Å; W483-L485 HydrophobicContact CB-CG 4.16Å; W483-L485 HydrophobicContact CE3-CD1 3.81Å; W483-L485 HydrophobicContact CE3-CG 4.46Å; W483-L485 HydrophobicContact CZ3-CD1 4.48Å; W483-D510 PolarHBondContact N-OD2 2.75Å; W483-P546 HydrophobicContact CE3-CG 4.48Å; W483-P546 HydrophobicContact CH2-CG 4.21Å; W483-P546 HydrophobicContact CZ3-CG 3.82Å; W483-Y549 AromaticContact CH2-CD1 3.72Å; W483-Y549 HydrophobicContact CH2-CD1 3.72Å; W483-Y549 AromaticContact CH2-CE1 3.65Å; W483-Y549 HydrophobicContact CH2-CE1 3.65Å; W483-Y549 HydrophobicContact CZ2-CD1 4.47Å; W483-Y549 HydrophobicContact CZ3-CE1 4.07Å
484	T	87.6	Confident	95.4	Very high	5 Å²	5	15.8 Å²	15.8	3%	0.031	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	30	177.4	44.8	0	0	0	0	112.6	H404 E423 G486 Y487 V509 D510 L513	H404-T484 PolarHBondContact NE2-OG1 3.43Å; E423-T484 VanDerWaalsContact OE1-C 3.24Å; E423-T484 VanDerWaalsContact OE1-O 3.14Å; E423-T484 PolarHBondContact OE1-OG1 3.03Å; T484-G486 PolarHBondContact O-N 2.8Å; T484-Y487 HydrophobicContact CG2-CE1 4.5Å; T484-V509 HydrophobicContact CG2-CG1 3.77Å; T484-V509 HydrophobicContact CG2-CG2 4.15Å; T484-D510 HydrophobicContact CG2-CB 4.45Å; T484-L513 HydrophobicContact CG2-CD1 3.85Å
485	L	91.9	Very high	95.6	Very high	10 Å²	10	19.9 Å²	19.9	5%	0.052	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-44.4	-43.5	-176.9	-63.7	172.6	0	0	0	112.6	E423 L426 W483 P546	E423-L485 PolarHBondContact N-O 2.92Å; L426-L485 VanDerWaalsContact CD2-O 3.24Å; L426-L485 WeakPolarHBondContact CD2-O 3.31Å; W483-L485 HydrophobicContact CB-CG 4.16Å; W483-L485 HydrophobicContact CE3-CD1 3.81Å; W483-L485 HydrophobicContact CE3-CG 4.46Å; W483-L485 HydrophobicContact CZ3-CD1 4.48Å; L485-P546 HydrophobicContact CD1-CB 4.14Å; L485-P546 HydrophobicContact CD1-CG 4.27Å; L485-P546 HydrophobicContact CD2-CB 4.24Å
486	G	96.8	Very high	95.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	146.3	165.7	0	0	0	0	0	113.6	V421 I455 G456 T484	V421-G486 CarbonylContact O-C 3.59Å; V421-G486 WeakPolarHBondContact O-CA 3.49Å; I455-G486 VanDerWaalsContact CG1-O 3.25Å; I455-G486 WeakPolarHBondContact CG1-O 3.29Å; I455-G486 PolarHBondContact N-O 2.86Å; G456-G486 PolarHBondContact N-O 3.46Å; G456-G486 PolarHBondContact O-N 3.1Å; T484-G486 PolarHBondContact O-N 2.8Å
487	Y	98.6	Very high	95.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	157.3	175.2	62	-94.8	0	0	0	111.2	H404 W408 V421 L452 I453 T484 I489	H404-Y487 AromaticContact CE1-CE1 3.61Å; H404-Y487 AromaticContact ND1-CE1 3.38Å; H404-Y487 WeakPolarHBondContact ND1-CE1 3.49Å; H404-Y487 AromaticContact ND1-CZ 3.57Å; H404-Y487 PolarHBondContact ND1-OH 3.04Å; W408-Y487 PolarHBondContact NE1-OH 2.91Å; W408-Y487 VanDerWaalsContact NE1-OH 3.13Å; V421-Y487 HydrophobicContact CB-CD2 4.33Å; V421-Y487 HydrophobicContact CB-CE1 4.16Å; V421-Y487 HydrophobicContact CB-CE2 3.91Å; V421-Y487 HydrophobicContact CG1-CE1 4.15Å; V421-Y487 HydrophobicContact CG2-CD2 4.42Å; V421-Y487 HydrophobicContact CG2-CE2 3.74Å; V421-Y487 PolarHBondContact N-O 3.09Å; V421-Y487 PolarHBondContact O-N 2.77Å; L452-Y487 HydrophobicContact CD1-CD2 3.89Å; L452-Y487 HydrophobicContact CD1-CE2 4.29Å; L452-Y487 HydrophobicContact CD1-CG 4.21Å; L452-Y487 HydrophobicContact CG-CD2 4.14Å; L452-Y487 HydrophobicContact CG-CG 4.39Å; I453-Y487 CarbonylContact O-C 3.52Å; I453-Y487 VanDerWaalsContact O-CA 3.25Å; I453-Y487 WeakPolarHBondContact O-CA 3.16Å; I453-Y487 WeakPolarHBondContact O-CB 3.45Å; T484-Y487 HydrophobicContact CG2-CE1 4.5Å; Y487-I489 HydrophobicContact CD2-CB 4.1Å; Y487-I489 HydrophobicContact CE2-CB 3.93Å; Y487-I489 HydrophobicContact CE2-CD1 4.3Å; Y487-I489 HydrophobicContact CE2-CG2 4.18Å
488	M	98.6	Very high	95.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	144.6	167	-60.1	173.1	-67.6	0	0	108.6	F328 S419 L420 L436 L439 M440 W450 L452 I453 I455	F328-M488 HydrophobicContact CE1-CB 4.49Å; F328-M488 HydrophobicContact CE1-CG 3.93Å; F328-M488 HydrophobicContact CE1-SD 3.72Å; F328-M488 HydrophobicContact CZ-CG 3.98Å; F328-M488 HydrophobicContact CZ-SD 3.48Å; F328-M488 WeakPolarHBondContact CZ-SD 3.42Å; S419-M488 CarbonylContact O-C 3.56Å; S419-M488 WeakPolarHBondContact O-CA 3.33Å; L420-M488 HydrophobicContact CD1-CG 3.8Å; L436-M488 HydrophobicContact CD1-CE 3.99Å; L436-M488 HydrophobicContact CD1-SD 3.57Å; L436-M488 VanDerWaalsContact CD1-SD 3.57Å; L436-M488 HydrophobicContact CG-SD 4.46Å; L439-M488 HydrophobicContact CD2-CE 4.21Å; M440-M488 HydrophobicContact CG-SD 3.82Å; M440-M488 HydrophobicContact SD-CE 3.67Å; M440-M488 HydrophobicContact SD-SD 3.3Å; W450-M488 HydrophobicContact CH2-CB 3.98Å; W450-M488 HydrophobicContact CZ3-CB 4.01Å; L452-M488 WeakPolarHBondContact CA-O 3.42Å; I453-M488 HydrophobicContact CB-CB 4.34Å; I453-M488 HydrophobicContact CB-CE 3.53Å; I453-M488 HydrophobicContact CD1-CE 3.99Å; I453-M488 HydrophobicContact CG1-CE 4.3Å; I453-M488 HydrophobicContact CG2-CE 3.46Å; I453-M488 VanDerWaalsContact CG2-CE 3.46Å; I453-M488 PolarHBondContact N-O 3.24Å; I453-M488 PolarHBondContact O-N 3.15Å; I455-M488 HydrophobicContact CG2-CE 3.87Å; I455-M488 HydrophobicContact CG2-CG 4.42Å; I455-M488 HydrophobicContact CG2-SD 4.46Å
489	I	98.8	Very high	95.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.3	178.2	-167.2	168.2	0	0	0	110.2	W408 V411 S419 V421 D451 Y487 A494 L497	W408-I489 HydrophobicContact CG-CD1 4.39Å; V411-I489 HydrophobicContact CG2-CG2 4.47Å; S419-I489 PolarHBondContact N-O 2.84Å; S419-I489 PolarHBondContact O-N 3.2Å; V421-I489 HydrophobicContact CG2-CG2 4.38Å; D451-I489 WeakPolarHBondContact O-CA 3.38Å; Y487-I489 HydrophobicContact CD2-CB 4.1Å; Y487-I489 HydrophobicContact CE2-CB 3.93Å; Y487-I489 HydrophobicContact CE2-CD1 4.3Å; Y487-I489 HydrophobicContact CE2-CG2 4.18Å; I489-A494 HydrophobicContact CD1-CB 3.96Å; I489-A494 HydrophobicContact CG1-CB 4.39Å; I489-L497 HydrophobicContact CD1-CD1 3.83Å
490	S	98.8	Very high	95.9	Very high	13 Å²	13	27.1 Å²	27.1	9%	0.091	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	161.7	171.8	72.2	0	0	0	0	111.1	E417 W450 D451 Q492 G493 A494	E417-S490 CarbonylContact O-C 2.99Å; E417-S490 VanDerWaalsContact O-CA 3.29Å; E417-S490 WeakPolarHBondContact O-CA 3.45Å; W450-S490 PolarHBondContact O-OG 3.2Å; W450-S490 VanDerWaalsContact O-OG 3.11Å; D451-S490 WeakPolarHBondContact CA-OG 3.49Å; D451-S490 PolarHBondContact O-N 3.49Å; S490-Q492 VanDerWaalsContact C-N 3.26Å; S490-Q492 PolarHBondContact O-N 3.48Å; S490-G493 PolarHBondContact O-N 2.85Å; S490-G493 VanDerWaalsContact O-N 3.16Å; S490-G493 PolarHBondContact OG-N 3.33Å; S490-G493 VanDerWaalsContact OG-N 3.07Å; S490-A494 PolarHBondContact O-N 3.4Å
491	L	98.8	Very high	95.9	Very high	20 Å²	20	31.3 Å²	31.3	11%	0.105	15%	0.146	C	C	.	.	H	α-helix	trans	-52.3	-48.6	172.1	179.5	53.5	0	0	0	111.2	V411 V412 R415 L416 E417 G493 A494 E495	V411-L491 HydrophobicContact CG1-CD1 4.23Å; V412-L491 HydrophobicContact CG2-CD1 4.22Å; R415-L491 HydrophobicContact CB-CD2 4.27Å; L416-L491 WeakPolarHBondContact O-CB 3.49Å; E417-L491 PolarHBondContact O-N 2.85Å; L491-G493 VanDerWaalsContact C-N 3.33Å; L491-G493 PolarHBondContact O-N 3.43Å; L491-A494 PolarHBondContact O-N 3.01Å; L491-E495 HydrophobicContact CD1-CG 4.47Å; L491-E495 WeakPolarHBondContact O-CG 3.22Å; L491-E495 PolarHBondContact O-N 2.73Å
492	Q	98.6	Very high	95.9	Very high	87 Å²	87	31.3 Å²	31.3	41%	0.407	15%	0.146	S	C	.	.	H	α-helix	trans	-59.1	-43.2	178.4	-176.9	-177.9	15.5	0	0	111.9	D451 S490 A494 E495 K496	D451-Q492 WeakPolarHBondContact OD1-CG 3.46Å; S490-Q492 VanDerWaalsContact C-N 3.26Å; S490-Q492 PolarHBondContact O-N 3.48Å; Q492-A494 PolarHBondContact O-N 2.85Å; Q492-E495 PolarHBondContact O-N 3.37Å; Q492-K496 HydrophobicContact CG-CD 4.44Å; Q492-K496 WeakPolarHBondContact O-CG 3.37Å; Q492-K496 PolarHBondContact O-N 3.13Å
493	G	98.6	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-45.9	176.8	0	0	0	0	0	112	D451 S490 L491 E495 K496 L497	D451-G493 PolarHBondContact OD1-N 3.36Å; S490-G493 PolarHBondContact O-N 2.85Å; S490-G493 VanDerWaalsContact O-N 3.16Å; S490-G493 PolarHBondContact OG-N 3.33Å; S490-G493 VanDerWaalsContact OG-N 3.07Å; L491-G493 VanDerWaalsContact C-N 3.33Å; L491-G493 PolarHBondContact O-N 3.43Å; G493-E495 PolarHBondContact O-N 3.06Å; G493-K496 PolarHBondContact O-N 2.85Å; G493-L497 WeakPolarHBondContact O-CG 3.33Å; G493-L497 PolarHBondContact O-N 2.83Å
494	A	98.8	Very high	96.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.8	-41.9	176.5	0	0	0	0	0	112.2	W408 V411 V412 I489 S490 L491 Q492 L497 L498	W408-A494 HydrophobicContact CB-CB 4.21Å; V411-A494 HydrophobicContact CB-CB 4.01Å; V411-A494 HydrophobicContact CG1-CB 3.62Å; V412-A494 HydrophobicContact CG2-CB 3.83Å; I489-A494 HydrophobicContact CD1-CB 3.96Å; I489-A494 HydrophobicContact CG1-CB 4.39Å; S490-A494 PolarHBondContact O-N 3.4Å; L491-A494 PolarHBondContact O-N 3.01Å; Q492-A494 PolarHBondContact O-N 2.85Å; A494-L497 PolarHBondContact O-N 3.29Å; A494-L498 WeakPolarHBondContact O-CG 3.17Å; A494-L498 PolarHBondContact O-N 3.02Å
495	E	98.7	Very high	96.3	Very high	101 Å²	101	37.2 Å²	37.2	47%	0.472	17%	0.173	S	C	.	.	H	α-helix	trans	-61	-44.4	175.7	-70.2	-178.5	154.5	0	0	112.3	V412 L491 Q492 G493 L498 K499	V412-E495 HydrophobicContact CG1-CG 4.14Å; V412-E495 HydrophobicContact CG2-CB 4.43Å; V412-E495 HydrophobicContact CG2-CG 3.61Å; L491-E495 HydrophobicContact CD1-CG 4.47Å; L491-E495 WeakPolarHBondContact O-CG 3.22Å; L491-E495 PolarHBondContact O-N 2.73Å; Q492-E495 PolarHBondContact O-N 3.37Å; G493-E495 PolarHBondContact O-N 3.06Å; E495-L498 PolarHBondContact O-N 3.39Å; E495-K499 VanDerWaalsContact O-CB 3.26Å; E495-K499 WeakPolarHBondContact O-CB 3.1Å; E495-K499 PolarHBondContact O-N 2.84Å
496	K	98.5	Very high	96.1	Very high	26 Å²	26	36.8 Å²	36.8	11%	0.113	17%	0.171	C	C	.	.	H	α-helix	trans	-60.3	-46.6	176.6	-73.5	175.4	-179.4	172.2	0	111.9	D451 Q492 G493 L498 K499 A500 D533 L534	D451-K496 IonicContact OD1-NZ 2.89Å; D451-K496 PolarHBondContact OD1-NZ 2.8Å; D451-K496 IonicContact OD2-NZ 3.25Å; D451-K496 PolarHBondContact OD2-NZ 2.8Å; Q492-K496 HydrophobicContact CG-CD 4.44Å; Q492-K496 WeakPolarHBondContact O-CG 3.37Å; Q492-K496 PolarHBondContact O-N 3.13Å; G493-K496 PolarHBondContact O-N 2.85Å; K496-L498 PolarHBondContact O-N 2.94Å; K496-K499 PolarHBondContact O-N 2.74Å; K496-A500 PolarHBondContact O-N 3.29Å; K496-D533 PolarHBondContact NZ-O 2.87Å; K496-L534 HydrophobicContact CB-CD1 4.18Å; K496-L534 HydrophobicContact CD-CD1 4.33Å
497	L	98.1	Very high	95.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.7	-40.3	179.2	-66.2	179.1	0	0	0	112.1	W408 I489 G493 A494 A500 P502 F512 L513 M516 L534	W408-L497 HydrophobicContact CD2-CB 4.18Å; W408-L497 HydrophobicContact CD2-CD1 3.84Å; W408-L497 HydrophobicContact CE3-CB 3.94Å; W408-L497 HydrophobicContact CE3-CD1 4.28Å; W408-L497 HydrophobicContact CG-CD1 4.3Å; W408-L497 HydrophobicContact CH2-CD1 4.28Å; W408-L497 HydrophobicContact CZ2-CD1 3.8Å; W408-L497 HydrophobicContact CZ3-CB 4.27Å; W408-L497 HydrophobicContact CZ3-CD1 4.5Å; I489-L497 HydrophobicContact CD1-CD1 3.83Å; G493-L497 WeakPolarHBondContact O-CG 3.33Å; G493-L497 PolarHBondContact O-N 2.83Å; A494-L497 PolarHBondContact O-N 3.29Å; L497-A500 WeakPolarHBondContact O-CB 3.37Å; L497-P502 WeakPolarHBondContact O-CD 3.48Å; L497-F512 HydrophobicContact CB-CE1 4.37Å; L497-F512 HydrophobicContact CD2-CE1 3.8Å; L497-F512 HydrophobicContact CD2-CZ 4.29Å; L497-L513 HydrophobicContact CD1-CD2 3.77Å; L497-L513 HydrophobicContact CD2-CD2 3.77Å; L497-L513 HydrophobicContact CG-CD2 4.45Å; L497-M516 HydrophobicContact CD2-CB 4.03Å; L497-M516 HydrophobicContact CD2-CG 3.84Å; L497-L534 HydrophobicContact CD2-CD1 3.98Å; L497-L534 HydrophobicContact CD2-CD2 3.89Å; L497-L534 HydrophobicContact CG-CD1 4.1Å
498	L	97.5	Very high	95.6	Very high	35 Å²	35	36.9 Å²	36.9	18%	0.183	17%	0.171	C	C	.	.	H	α-helix	trans	-71.1	-38.6	177.3	-67.7	176.3	0	0	0	112.5	Y405 W408 K409 V412 A494 E495 K496 A500 E501	Y405-L498 HydrophobicContact CD2-CD2 3.71Å; Y405-L498 HydrophobicContact CE2-CD2 3.3Å; W408-L498 HydrophobicContact CB-CD1 4.44Å; W408-L498 HydrophobicContact CB-CD2 4.04Å; W408-L498 HydrophobicContact CB-CG 4.1Å; W408-L498 HydrophobicContact CE3-CD2 4.47Å; K409-L498 HydrophobicContact CG-CD1 4.23Å; K409-L498 HydrophobicContact CG-CD2 3.86Å; V412-L498 HydrophobicContact CB-CD1 4.15Å; V412-L498 HydrophobicContact CG2-CD1 3.76Å; A494-L498 WeakPolarHBondContact O-CG 3.17Å; A494-L498 PolarHBondContact O-N 3.02Å; E495-L498 PolarHBondContact O-N 3.39Å; K496-L498 PolarHBondContact O-N 2.94Å; L498-A500 PolarHBondContact O-N 2.52Å; L498-E501 PolarHBondContact O-N 2.95Å
499	K	97.2	Very high	95.4	Very high	162 Å²	162	37.1 Å²	37.1	70%	0.704	17%	0.173	S	C	*	.	H	α-helix	trans	-62.7	-22.9	178.9	-173.3	179.3	177.7	-173.3	0	112.9	E495 K496 E501	E495-K499 VanDerWaalsContact O-CB 3.26Å; E495-K499 WeakPolarHBondContact O-CB 3.1Å; E495-K499 PolarHBondContact O-N 2.84Å; K496-K499 PolarHBondContact O-N 2.74Å; K499-E501 PolarHBondContact O-N 2.77Å
500	A	95.5	Very high	95	Very high	16 Å²	16	38.5 Å²	38.5	13%	0.132	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-7.7	173	0	0	0	0	0	113.9	K496 L497 L498 F512 M516 F529	K496-A500 PolarHBondContact O-N 3.29Å; L497-A500 WeakPolarHBondContact O-CB 3.37Å; L498-A500 PolarHBondContact O-N 2.52Å; A500-F512 HydrophobicContact CB-CE2 4.23Å; A500-F512 HydrophobicContact CB-CZ 4.02Å; A500-M516 HydrophobicContact CB-CE 3.6Å; A500-M516 HydrophobicContact CB-SD 3.87Å; A500-F529 HydrophobicContact CB-CD1 4.22Å
501	E	93.9	Very high	94.7	Very high	95 Å²	95	37.9 Å²	37.9	44%	0.444	18%	0.176	S	C	.	.			trans	49.9	51.6	-176	-57.6	-170	117.3	0	0	113.1	L498 K499 L503 K504	L498-E501 PolarHBondContact O-N 2.95Å; K499-E501 PolarHBondContact O-N 2.77Å; E501-L503 PolarHBondContact O-N 3.28Å; E501-K504 HydrophobicContact CB-CD 4.18Å; E501-K504 HydrophobicContact CB-CG 4.48Å; E501-K504 PolarHBondContact O-N 3.31Å; E501-K504 WeakPolarHBondContact OE1-CE 3.31Å; E501-K504 IonicContact OE1-NZ 2.71Å; E501-K504 PolarHBondContact OE1-NZ 3.03Å; E501-K504 IonicContact OE2-NZ 2.58Å; E501-K504 PolarHBondContact OE2-NZ 3.29Å
502	P	92.4	Very high	94.6	Very high	2 Å²	2	37 Å²	37	1%	0.013	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-62	-25.2	-166.5	22.2	-33.2	0	0	0	114.4	F401 Y405 L497 K504 R505 I506 F512	F401-P502 HydrophobicContact CE1-CB 3.96Å; F401-P502 HydrophobicContact CE1-CG 4.22Å; F401-P502 HydrophobicContact CZ-CB 3.51Å; F401-P502 HydrophobicContact CZ-CG 4.05Å; Y405-P502 HydrophobicContact CD2-CG 3.97Å; Y405-P502 HydrophobicContact CE2-CG 4.04Å; L497-P502 WeakPolarHBondContact O-CD 3.48Å; P502-K504 PolarHBondContact O-N 3.46Å; P502-R505 CarbonylContact O-C 3.49Å; P502-R505 PolarHBondContact O-N 2.96Å; P502-R505 VanDerWaalsContact O-N 3.08Å; P502-I506 PolarHBondContact O-N 3.17Å; P502-F512 HydrophobicContact CB-CD2 4.41Å; P502-F512 HydrophobicContact CB-CE1 4.17Å; P502-F512 HydrophobicContact CB-CE2 3.83Å; P502-F512 HydrophobicContact CB-CZ 3.7Å; P502-F512 HydrophobicContact CG-CE1 4.46Å; P502-F512 HydrophobicContact CG-CZ 4.13Å
503	L	91.5	Very high	94.5	Very high	31 Å²	31	32.9 Å²	32.9	16%	0.162	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-63	-26.9	178.1	-59.2	-174.4	0	0	0	112.7	I378 H379 F401 L402 Y405 E501 R505 I506	I378-L503 VanDerWaalsContact CA-O 3.29Å; I378-L503 WeakPolarHBondContact CA-O 3.39Å; I378-L503 HydrophobicContact CG1-CD2 4.49Å; H379-L503 PolarHBondContact N-O 3.41Å; F401-L503 HydrophobicContact CE1-CD2 4.32Å; L402-L503 HydrophobicContact CD2-CD2 3.67Å; Y405-L503 HydrophobicContact CD1-CD1 4.47Å; Y405-L503 HydrophobicContact CD1-CD2 4.37Å; Y405-L503 HydrophobicContact CD2-CD2 4.33Å; Y405-L503 HydrophobicContact CD2-CG 4.48Å; Y405-L503 HydrophobicContact CE1-CD1 3.8Å; Y405-L503 HydrophobicContact CE1-CD2 4.45Å; Y405-L503 HydrophobicContact CE1-CG 4.32Å; Y405-L503 HydrophobicContact CE2-CD1 4.33Å; Y405-L503 HydrophobicContact CE2-CD2 4.42Å; Y405-L503 HydrophobicContact CE2-CG 4.09Å; Y405-L503 HydrophobicContact CG-CD2 4.31Å; E501-L503 PolarHBondContact O-N 3.28Å; L503-R505 VanDerWaalsContact C-N 3.25Å; L503-R505 PolarHBondContact O-N 2.86Å; L503-I506 HydrophobicContact CD2-CD1 4.39Å
504	K	90.4	Very high	94.4	Very high	106 Å²	106	32.9 Å²	32.9	46%	0.461	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-76.3	-13.1	177.5	-62.6	-177.6	-173.5	168.7	0	113.1	H379 E501 P502	H379-K504 WeakPolarHBondContact CB-O 3.49Å; H379-K504 CarbonylContact O-C 3.19Å; E501-K504 HydrophobicContact CB-CD 4.18Å; E501-K504 HydrophobicContact CB-CG 4.48Å; E501-K504 PolarHBondContact O-N 3.31Å; E501-K504 WeakPolarHBondContact OE1-CE 3.31Å; E501-K504 IonicContact OE1-NZ 2.71Å; E501-K504 PolarHBondContact OE1-NZ 3.03Å; E501-K504 IonicContact OE2-NZ 2.58Å; E501-K504 PolarHBondContact OE2-NZ 3.29Å; P502-K504 PolarHBondContact O-N 3.46Å
505	R	89.8	Confident	94.3	Very high	78 Å²	78	32.9 Å²	32.9	29%	0.294	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-148.7	56.2	-173.5	-65.3	-177.8	-100.9	-147.7	1.9	110.1	H379 L381 P502 L503 Q528 F529	H379-R505 CarbonylContact O-C 3.47Å; H379-R505 VanDerWaalsContact O-CA 3.24Å; H379-R505 WeakPolarHBondContact O-CA 3.35Å; H379-R505 PolarHBondContact O-N 2.83Å; H379-R505 VanDerWaalsContact O-N 3.14Å; L381-R505 HydrophobicContact CD1-CB 4.44Å; P502-R505 CarbonylContact O-C 3.49Å; P502-R505 PolarHBondContact O-N 2.96Å; P502-R505 VanDerWaalsContact O-N 3.08Å; L503-R505 VanDerWaalsContact C-N 3.25Å; L503-R505 PolarHBondContact O-N 2.86Å; R505-Q528 PolarHBondContact NE-O 2.8Å; R505-Q528 PolarHBondContact NH1-O 3.06Å; R505-F529 HydrophobicContact CB-CE1 4.3Å; R505-F529 HydrophobicContact CB-CZ 3.91Å
506	I	89.2	Confident	94.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-72.9	144	-171.3	-158.4	151.5	0	0	0	112.1	I378 H379 M380 L381 L393 L398 F401 P502 L503	I378-I506 HydrophobicContact CG2-CB 4.2Å; I378-I506 HydrophobicContact CG2-CD1 4.06Å; I378-I506 HydrophobicContact CG2-CG2 3.63Å; H379-I506 PolarHBondContact O-N 3.39Å; M380-I506 HydrophobicContact CB-CG2 4.37Å; M380-I506 WeakPolarHBondContact CG-O 3.37Å; L381-I506 PolarHBondContact N-O 2.82Å; L393-I506 HydrophobicContact CD2-CG2 3.95Å; L398-I506 HydrophobicContact CD1-CD1 3.31Å; L398-I506 HydrophobicContact CD1-CG1 4.25Å; F401-I506 HydrophobicContact CB-CD1 4.25Å; F401-I506 HydrophobicContact CD1-CD1 3.53Å; F401-I506 HydrophobicContact CD1-CG1 4.04Å; F401-I506 HydrophobicContact CD2-CG1 4.28Å; F401-I506 HydrophobicContact CE1-CD1 4.13Å; F401-I506 HydrophobicContact CE1-CG1 4.43Å; F401-I506 HydrophobicContact CG-CD1 3.85Å; F401-I506 HydrophobicContact CG-CG1 4.01Å; P502-I506 PolarHBondContact O-N 3.17Å; L503-I506 HydrophobicContact CD2-CD1 4.39Å
507	L	91.4	Very high	94.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.127	C	C	.	.			trans	-153.1	170.4	172.6	54.3	117.4	0	0	0	107.1	L381 Y384 F401 E511 F512 I515 F529	L381-L507 HydrophobicContact CB-CD2 4.11Å; L381-L507 HydrophobicContact CD1-CD2 3.75Å; L381-L507 HydrophobicContact CG-CD2 4.44Å; Y384-L507 HydrophobicContact CD2-CB 3.96Å; Y384-L507 HydrophobicContact CE2-CB 4.05Å; Y384-L507 HydrophobicContact CG-CB 4.31Å; F401-L507 WeakPolarHBondContact CD2-O 3.41Å; L507-E511 HydrophobicContact CD1-CB 3.24Å; L507-F512 HydrophobicContact CD1-CB 3.84Å; L507-F512 HydrophobicContact CG-CB 4.22Å; L507-I515 HydrophobicContact CD1-CD1 3.85Å; L507-I515 HydrophobicContact CD2-CD1 3.99Å; L507-F529 HydrophobicContact CD2-CE2 3.95Å; L507-F529 HydrophobicContact CD2-CZ 4.05Å
508	P	91.8	Very high	94	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.013	15%	0.148	C	C	.	.			trans	-53.6	146.5	179.1	-27.1	37.3	0	0	0	112.2	Y384 L393 E397 D510 E511 F512	Y384-P508 HydrophobicContact CE1-CG 4.13Å; Y384-P508 WeakPolarHBondContact OH-CD 3.41Å; Y384-P508 VanDerWaalsContact OH-CG 3.26Å; Y384-P508 WeakPolarHBondContact OH-CG 3.36Å; L393-P508 HydrophobicContact CD1-CB 4.5Å; L393-P508 HydrophobicContact CD1-CG 3.64Å; E397-P508 HydrophobicContact CB-CG 4.45Å; P508-D510 VanDerWaalsContact CB-OD1 3.24Å; P508-D510 WeakPolarHBondContact CB-OD1 3.23Å; P508-D510 PolarHBondContact O-N 2.88Å; P508-E511 HydrophobicContact CB-CB 4.43Å; P508-E511 HydrophobicContact CB-CG 4.16Å; P508-E511 HydrophobicContact CG-CG 4.31Å; P508-E511 PolarHBondContact O-N 2.81Å; P508-F512 PolarHBondContact O-N 3.4Å
509	V	94.3	Very high	93.9	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.024	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-35.4	-174.3	61.4	0	0	0	0	111.9	F401 H404 W408 T484 E511 F512 L513	F401-V509 HydrophobicContact CD2-CB 3.83Å; F401-V509 HydrophobicContact CD2-CG2 4.41Å; F401-V509 HydrophobicContact CE2-CB 4.41Å; H404-V509 HydrophobicContact CB-CG2 4.15Å; W408-V509 HydrophobicContact CH2-CG2 4.06Å; W408-V509 HydrophobicContact CZ2-CG2 4.02Å; T484-V509 HydrophobicContact CG2-CG1 3.77Å; T484-V509 HydrophobicContact CG2-CG2 4.15Å; V509-E511 VanDerWaalsContact C-N 3.27Å; V509-E511 PolarHBondContact O-N 3.32Å; V509-F512 PolarHBondContact O-N 2.85Å; V509-L513 HydrophobicContact CG2-CD1 4.23Å; V509-L513 HydrophobicContact CG2-CG 4.29Å; V509-L513 WeakPolarHBondContact O-CG 3.48Å; V509-L513 PolarHBondContact O-N 3.34Å
510	D	90.9	Very high	93.7	Very high	29 Å²	29	26.1 Å²	26.1	16%	0.155	12%	0.123	C	C	.	.	H	α-helix	trans	-79.2	-6.9	178.7	59.7	-16.3	0	0	0	113.8	W483 T484 P508 P514	W483-D510 PolarHBondContact N-OD2 2.75Å; T484-D510 HydrophobicContact CG2-CB 4.45Å; P508-D510 VanDerWaalsContact CB-OD1 3.24Å; P508-D510 WeakPolarHBondContact CB-OD1 3.23Å; P508-D510 PolarHBondContact O-N 2.88Å; D510-P514 WeakPolarHBondContact O-CD 3.36Å; D510-P514 WeakPolarHBondContact O-CG 3.29Å
511	E	93.4	Very high	93.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-94.7	-34.3	163.6	-64.8	-72	-161.6	0	0	111.2	Y384 P387 Y480 Y482 L507 P508 V509 P514 I515 H520	Y384-E511 HydrophobicContact CE2-CG 4.36Å; P387-E511 WeakPolarHBondContact CD-OE1 3.01Å; P387-E511 WeakPolarHBondContact CG-OE1 3.37Å; Y480-E511 VanDerWaalsContact CE2-OE2 3.27Å; Y480-E511 WeakPolarHBondContact CE2-OE2 3.08Å; Y480-E511 VanDerWaalsContact OH-CD 3.23Å; Y480-E511 PolarHBondContact OH-OE1 2.67Å; Y480-E511 VanDerWaalsContact OH-OE1 3.06Å; Y480-E511 PolarHBondContact OH-OE2 3.24Å; Y482-E511 VanDerWaalsContact CE1-CD 3.49Å; Y482-E511 HydrophobicContact CE1-CG 4.34Å; Y482-E511 VanDerWaalsContact CE1-OE1 3.26Å; Y482-E511 WeakPolarHBondContact CE1-OE1 3.4Å; Y482-E511 VanDerWaalsContact CZ-OE1 3.3Å; Y482-E511 PolarHBondContact OH-OE1 2.8Å; L507-E511 HydrophobicContact CD1-CB 3.24Å; P508-E511 HydrophobicContact CB-CB 4.43Å; P508-E511 HydrophobicContact CB-CG 4.16Å; P508-E511 HydrophobicContact CG-CG 4.31Å; P508-E511 PolarHBondContact O-N 2.81Å; V509-E511 VanDerWaalsContact C-N 3.27Å; V509-E511 PolarHBondContact O-N 3.32Å; E511-P514 WeakPolarHBondContact O-CD 2.89Å; E511-I515 WeakPolarHBondContact O-CG1 3.49Å; E511-I515 PolarHBondContact O-N 2.89Å; E511-H520 IonicContact OE2-CD2 3.55Å; E511-H520 PolarHBondContact OE2-CD2 2.86Å; E511-H520 VanDerWaalsContact OE2-CD2 3.23Å; E511-H520 IonicContact OE2-NE2 3.69Å; E511-H520 PolarHBondContact OE2-NE2 3.42Å
512	F	95.9	Very high	93.3	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	13%	0.132	C	C	.	.	H	α-helix	trans	-68.3	-45.9	-179	172.1	-111	0	0	0	111.6	F401 W408 L497 A500 P502 L507 P508 V509 I515 M516 F529	F401-F512 HydrophobicContact CE2-CB 3.78Å; F401-F512 AromaticContact CE2-CD1 3.74Å; F401-F512 HydrophobicContact CE2-CD1 3.74Å; F401-F512 AromaticContact CE2-CG 3.8Å; F401-F512 HydrophobicContact CE2-CG 3.8Å; F401-F512 AromaticContact CZ-CD1 3.91Å; F401-F512 HydrophobicContact CZ-CD1 3.91Å; F401-F512 HydrophobicContact CZ-CE1 4.25Å; F401-F512 HydrophobicContact CZ-CG 4.2Å; W408-F512 AromaticContact CH2-CD1 3.88Å; W408-F512 HydrophobicContact CH2-CD1 3.88Å; W408-F512 AromaticContact CH2-CE1 3.83Å; W408-F512 HydrophobicContact CH2-CE1 3.83Å; W408-F512 HydrophobicContact CZ3-CD1 4.28Å; W408-F512 AromaticContact CZ3-CE1 3.82Å; W408-F512 HydrophobicContact CZ3-CE1 3.82Å; L497-F512 HydrophobicContact CB-CE1 4.37Å; L497-F512 HydrophobicContact CD2-CE1 3.8Å; L497-F512 HydrophobicContact CD2-CZ 4.29Å; A500-F512 HydrophobicContact CB-CE2 4.23Å; A500-F512 HydrophobicContact CB-CZ 4.02Å; P502-F512 HydrophobicContact CB-CD2 4.41Å; P502-F512 HydrophobicContact CB-CE1 4.17Å; P502-F512 HydrophobicContact CB-CE2 3.83Å; P502-F512 HydrophobicContact CB-CZ 3.7Å; P502-F512 HydrophobicContact CG-CE1 4.46Å; P502-F512 HydrophobicContact CG-CZ 4.13Å; L507-F512 HydrophobicContact CD1-CB 3.84Å; L507-F512 HydrophobicContact CG-CB 4.22Å; P508-F512 PolarHBondContact O-N 3.4Å; V509-F512 PolarHBondContact O-N 2.85Å; F512-I515 WeakPolarHBondContact O-CB 3.43Å; F512-I515 PolarHBondContact O-N 3.05Å; F512-M516 HydrophobicContact CD1-CG 4.42Å; F512-M516 HydrophobicContact CD2-CG 4.13Å; F512-M516 HydrophobicContact CD2-SD 4.33Å; F512-M516 HydrophobicContact CE1-CG 4Å; F512-M516 HydrophobicContact CE2-CG 3.64Å; F512-M516 HydrophobicContact CE2-SD 3.54Å; F512-M516 VanDerWaalsContact CE2-SD 3.54Å; F512-M516 HydrophobicContact CG-CG 4.49Å; F512-M516 HydrophobicContact CZ-CG 3.57Å; F512-M516 HydrophobicContact CZ-SD 3.8Å; F512-M516 WeakPolarHBondContact O-CG 3.49Å; F512-M516 PolarHBondContact O-N 3.16Å; F512-M516 VanDerWaalsContact O-N 3.12Å; F512-F529 HydrophobicContact CD2-CE1 4.13Å; F512-F529 HydrophobicContact CD2-CZ 4.03Å; F512-F529 HydrophobicContact CE2-CD1 4.2Å; F512-F529 AromaticContact CE2-CE1 3.69Å; F512-F529 HydrophobicContact CE2-CE1 3.69Å; F512-F529 HydrophobicContact CE2-CZ 4.08Å
513	L	97.1	Very high	93.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.3	-52.7	179.6	-66.3	175.3	0	0	0	111.3	W408 L452 Y454 T484 L497 V509 I515 M516 Y517	W408-L513 HydrophobicContact CZ2-CD2 4.15Å; L452-L513 HydrophobicContact CD1-CD1 4.07Å; L452-L513 HydrophobicContact CD1-CD2 3.98Å; Y454-L513 HydrophobicContact CE1-CD1 4.25Å; Y454-L513 WeakPolarHBondContact OH-CB 3.5Å; Y454-L513 WeakPolarHBondContact OH-CD1 3.42Å; T484-L513 HydrophobicContact CG2-CD1 3.85Å; L497-L513 HydrophobicContact CD1-CD2 3.77Å; L497-L513 HydrophobicContact CD2-CD2 3.77Å; L497-L513 HydrophobicContact CG-CD2 4.45Å; V509-L513 HydrophobicContact CG2-CD1 4.23Å; V509-L513 HydrophobicContact CG2-CG 4.29Å; V509-L513 WeakPolarHBondContact O-CG 3.48Å; V509-L513 PolarHBondContact O-N 3.34Å; L513-I515 VanDerWaalsContact C-N 3.27Å; L513-I515 PolarHBondContact O-N 3.08Å; L513-M516 WeakPolarHBondContact O-CB 2.93Å; L513-M516 PolarHBondContact O-N 2.96Å; L513-Y517 VanDerWaalsContact C-CD1 3.45Å; L513-Y517 HydrophobicContact CB-CE1 4.14Å; L513-Y517 WeakPolarHBondContact O-CD1 3.17Å; L513-Y517 WeakPolarHBondContact O-CE1 3.48Å; L513-Y517 PolarHBondContact O-N 3.21Å
514	P	96.3	Very high	93.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.4	-34.2	174.8	-25	31.3	0	0	0	116.2	Y480 D510 E511 M516 Y517 N518 K519 H520	Y480-P514 HydrophobicContact CD2-CB 3.71Å; Y480-P514 HydrophobicContact CD2-CG 3.84Å; Y480-P514 HydrophobicContact CE2-CB 4.12Å; Y480-P514 HydrophobicContact CE2-CG 4.06Å; D510-P514 WeakPolarHBondContact O-CD 3.36Å; D510-P514 WeakPolarHBondContact O-CG 3.29Å; E511-P514 WeakPolarHBondContact O-CD 2.89Å; P514-M516 VanDerWaalsContact C-N 3.33Å; P514-Y517 HydrophobicContact CB-CE1 4.3Å; P514-Y517 HydrophobicContact CB-CE2 4.38Å; P514-Y517 HydrophobicContact CG-CE1 4.31Å; P514-Y517 WeakPolarHBondContact CG-OH 3.41Å; P514-Y517 VanDerWaalsContact N-CE1 3.3Å; P514-Y517 PolarHBondContact O-N 2.67Å; P514-N518 PolarHBondContact O-N 3.21Å; P514-K519 PolarHBondContact O-N 2.83Å; P514-H520 HydrophobicContact CB-CB 4.25Å; P514-H520 PolarHBondContact O-N 3.31Å
515	I	96.4	Very high	93.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-47.8	172.7	-70	169.9	0	0	0	109.6	L507 E511 F512 L513 Y517 N518 H520 M526 F529 R532	L507-I515 HydrophobicContact CD1-CD1 3.85Å; L507-I515 HydrophobicContact CD2-CD1 3.99Å; E511-I515 WeakPolarHBondContact O-CG1 3.49Å; E511-I515 PolarHBondContact O-N 2.89Å; F512-I515 WeakPolarHBondContact O-CB 3.43Å; F512-I515 PolarHBondContact O-N 3.05Å; L513-I515 VanDerWaalsContact C-N 3.27Å; L513-I515 PolarHBondContact O-N 3.08Å; I515-Y517 PolarHBondContact O-N 3.42Å; I515-Y517 VanDerWaalsContact O-N 3.16Å; I515-N518 PolarHBondContact O-N 2.94Å; I515-H520 HydrophobicContact CB-CB 4.43Å; I515-H520 HydrophobicContact CG1-CB 3.59Å; I515-M526 HydrophobicContact CG1-CG 4.19Å; I515-M526 HydrophobicContact CG2-CG 4.28Å; I515-F529 HydrophobicContact CD1-CD2 4.44Å; I515-F529 HydrophobicContact CD1-CE2 4.16Å; I515-F529 HydrophobicContact CG2-CB 4.1Å; I515-F529 HydrophobicContact CG2-CD2 3.52Å; I515-F529 HydrophobicContact CG2-CE2 4.18Å; I515-F529 HydrophobicContact CG2-CG 4.01Å; I515-R532 HydrophobicContact CG2-CG 4.39Å; I515-R532 VanDerWaalsContact O-CD 3.27Å; I515-R532 WeakPolarHBondContact O-CD 3.1Å; I515-R532 WeakPolarHBondContact O-CG 3.16Å
516	M	97.8	Very high	93.3	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-20.5	-175.5	-62.4	-50.2	-58.5	0	0	114.3	L497 A500 F512 L513 P514 F529 N531 R532 D533 L534	L497-M516 HydrophobicContact CD2-CB 4.03Å; L497-M516 HydrophobicContact CD2-CG 3.84Å; A500-M516 HydrophobicContact CB-CE 3.6Å; A500-M516 HydrophobicContact CB-SD 3.87Å; F512-M516 HydrophobicContact CD1-CG 4.42Å; F512-M516 HydrophobicContact CD2-CG 4.13Å; F512-M516 HydrophobicContact CD2-SD 4.33Å; F512-M516 HydrophobicContact CE1-CG 4Å; F512-M516 HydrophobicContact CE2-CG 3.64Å; F512-M516 HydrophobicContact CE2-SD 3.54Å; F512-M516 VanDerWaalsContact CE2-SD 3.54Å; F512-M516 HydrophobicContact CG-CG 4.49Å; F512-M516 HydrophobicContact CZ-CG 3.57Å; F512-M516 HydrophobicContact CZ-SD 3.8Å; F512-M516 WeakPolarHBondContact O-CG 3.49Å; F512-M516 PolarHBondContact O-N 3.16Å; F512-M516 VanDerWaalsContact O-N 3.12Å; L513-M516 WeakPolarHBondContact O-CB 2.93Å; L513-M516 PolarHBondContact O-N 2.96Å; P514-M516 VanDerWaalsContact C-N 3.33Å; M516-F529 HydrophobicContact SD-CB 4.34Å; M516-F529 HydrophobicContact SD-CD1 4.17Å; M516-F529 HydrophobicContact SD-CG 4.32Å; M516-N531 WeakPolarHBondContact CE-O 3.49Å; M516-R532 CarbonylContact O-C 3.21Å; M516-R532 VanDerWaalsContact O-CA 3.25Å; M516-R532 WeakPolarHBondContact O-CA 3.46Å; M516-D533 PolarHBondContact O-N 2.7Å; M516-L534 HydrophobicContact CB-CB 3.99Å; M516-L534 HydrophobicContact CB-CD2 4.13Å; M516-L534 WeakPolarHBondContact O-CB 3.33Å; M516-L534 PolarHBondContact O-N 3.37Å
517	Y	96.8	Very high	93.4	Very high	17 Å²	17	33.4 Å²	33.4	7%	0.067	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	20.9	173.2	60.7	-98.5	0	0	0	114.5	Y454 A478 D479 L513 P514 I515 K519 L534 A536	Y454-Y517 HydrophobicContact CE2-CE1 4.19Å; A478-Y517 HydrophobicContact CB-CE2 4.37Å; D479-Y517 PolarHBondContact O-OH 2.69Å; L513-Y517 VanDerWaalsContact C-CD1 3.45Å; L513-Y517 HydrophobicContact CB-CE1 4.14Å; L513-Y517 WeakPolarHBondContact O-CD1 3.17Å; L513-Y517 WeakPolarHBondContact O-CE1 3.48Å; L513-Y517 PolarHBondContact O-N 3.21Å; P514-Y517 HydrophobicContact CB-CE1 4.3Å; P514-Y517 HydrophobicContact CB-CE2 4.38Å; P514-Y517 HydrophobicContact CG-CE1 4.31Å; P514-Y517 WeakPolarHBondContact CG-OH 3.41Å; P514-Y517 VanDerWaalsContact N-CE1 3.3Å; P514-Y517 PolarHBondContact O-N 2.67Å; I515-Y517 PolarHBondContact O-N 3.42Å; I515-Y517 VanDerWaalsContact O-N 3.16Å; Y517-K519 HydrophobicContact CD2-CB 3.62Å; Y517-K519 HydrophobicContact CD2-CG 3.39Å; Y517-K519 HydrophobicContact CE2-CB 3.44Å; Y517-K519 VanDerWaalsContact CE2-CB 3.44Å; Y517-K519 HydrophobicContact CE2-CG 3.57Å; Y517-K519 PolarHBondContact O-N 2.95Å; Y517-L534 WeakPolarHBondContact CA-O 3.45Å; Y517-L534 WeakPolarHBondContact CB-O 3.48Å; Y517-L534 HydrophobicContact CD1-CD2 4.13Å; Y517-A536 HydrophobicContact CD1-CB 3.39Å; Y517-A536 HydrophobicContact CD2-CB 3.91Å; Y517-A536 HydrophobicContact CE1-CB 3.78Å; Y517-A536 HydrophobicContact CE2-CB 4.26Å; Y517-A536 HydrophobicContact CG-CB 3.49Å; Y517-A536 VanDerWaalsContact CG-CB 3.49Å
518	N	95.6	Very high	93.4	Very high	80 Å²	80	37 Å²	37	43%	0.428	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	38.9	175.7	-63.7	-56.4	0	0	0	115.5	P514 I515 R532	P514-N518 PolarHBondContact O-N 3.21Å; I515-N518 PolarHBondContact O-N 2.94Å; N518-R532 PolarHBondContact ND2-O 3.01Å; N518-R532 WeakPolarHBondContact OD1-CB 3.35Å; N518-R532 PolarHBondContact OD1-NE 2.97Å
519	K	94.5	Very high	93.5	Very high	77 Å²	77	37 Å²	37	34%	0.335	19%	0.194	S	C	.	.			trans	-122.6	11.6	177.6	-64.8	-68.6	-168.6	162.4	0	113.7	D479 Y480 P514 Y517	D479-K519 IonicContact OD2-NZ 2.87Å; D479-K519 PolarHBondContact OD2-NZ 3.21Å; Y480-K519 VanDerWaalsContact CB-O 3.29Å; Y480-K519 WeakPolarHBondContact CB-O 3.07Å; P514-K519 PolarHBondContact O-N 2.83Å; Y517-K519 HydrophobicContact CD2-CB 3.62Å; Y517-K519 HydrophobicContact CD2-CG 3.39Å; Y517-K519 HydrophobicContact CE2-CB 3.44Å; Y517-K519 VanDerWaalsContact CE2-CB 3.44Å; Y517-K519 HydrophobicContact CE2-CG 3.57Å; Y517-K519 PolarHBondContact O-N 2.95Å
520	H	93.6	Very high	93.2	Very high	7 Å²	7	44.9 Å²	44.9	3%	0.032	23%	0.231	C	C	.	.			trans	-77.9	136.6	176.7	-169.1	-81	0	0	0	110.9	Y480 E511 P514 I515 V522 Y525 M526	Y480-H520 AromaticContact CE2-CD2 3.87Å; E511-H520 IonicContact OE2-CD2 3.55Å; E511-H520 PolarHBondContact OE2-CD2 2.86Å; E511-H520 VanDerWaalsContact OE2-CD2 3.23Å; E511-H520 IonicContact OE2-NE2 3.69Å; E511-H520 PolarHBondContact OE2-NE2 3.42Å; P514-H520 HydrophobicContact CB-CB 4.25Å; P514-H520 PolarHBondContact O-N 3.31Å; I515-H520 HydrophobicContact CB-CB 4.43Å; I515-H520 HydrophobicContact CG1-CB 3.59Å; H520-V522 VanDerWaalsContact CE1-CB 3.5Å; H520-V522 WeakPolarHBondContact CE1-CB 3.18Å; H520-V522 PolarHBondContact ND1-N 2.82Å; H520-V522 PolarHBondContact ND1-O 3.14Å; H520-V522 PolarHBondContact O-N 3.07Å; H520-Y525 AromaticContact CE1-CD2 3.4Å; H520-Y525 WeakPolarHBondContact CE1-CD2 3.5Å; H520-Y525 AromaticContact NE2-CD2 3.9Å; H520-M526 HydrophobicContact CB-CG 3.83Å; H520-M526 HydrophobicContact CB-SD 4.02Å; H520-M526 VanDerWaalsContact O-CE 3.26Å; H520-M526 WeakPolarHBondContact O-CE 3.28Å
521	P	90.1	Very high	93.3	Very high	81 Å²	81	48.4 Å²	48.4	53%	0.526	25%	0.249	S	C	.	.	S	Bend	trans	-73.1	-23.6	-175.1	28.1	-36.2	0	0	0	114.2	Y480	Y480-P521 HydrophobicContact CD1-CG 3.95Å; Y480-P521 HydrophobicContact CE1-CG 3.52Å; Y480-P521 HydrophobicContact CE2-CG 4.3Å; Y480-P521 HydrophobicContact CG-CG 4.48Å; Y480-P521 VanDerWaalsContact CZ-CD 3.45Å
522	V	89.9	Confident	93.4	Very high	39 Å²	39	51.6 Å²	51.6	24%	0.236	26%	0.261	C	S	.	.			trans	-94.7	113.3	179.5	-171.8	0	0	0	0	110.4	P387 H520 D524 Y525	P387-V522 HydrophobicContact CB-CG2 4.38Å; P387-V522 HydrophobicContact CG-CG2 4.17Å; H520-V522 VanDerWaalsContact CE1-CB 3.5Å; H520-V522 WeakPolarHBondContact CE1-CB 3.18Å; H520-V522 PolarHBondContact ND1-N 2.82Å; H520-V522 PolarHBondContact ND1-O 3.14Å; H520-V522 PolarHBondContact O-N 3.07Å; V522-D524 HydrophobicContact CG1-CB 4.27Å; V522-Y525 HydrophobicContact CB-CD2 3.81Å; V522-Y525 HydrophobicContact CB-CE2 4.07Å; V522-Y525 HydrophobicContact CB-CG 4.07Å; V522-Y525 HydrophobicContact CG1-CD1 3.95Å; V522-Y525 HydrophobicContact CG1-CD2 3.99Å; V522-Y525 HydrophobicContact CG1-CE1 4.04Å; V522-Y525 HydrophobicContact CG1-CE2 4.06Å; V522-Y525 HydrophobicContact CG1-CG 3.91Å; V522-Y525 HydrophobicContact CG2-CD2 4.23Å; V522-Y525 HydrophobicContact CG2-CE2 4.07Å
523	S	89.6	Confident	93.5	Very high	60 Å²	60	55.9 Å²	55.9	42%	0.42	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-43	178.7	47.7	0	0	0	0	113	Y525 M526 E527	S523-Y525 PolarHBondContact O-N 3.37Å; S523-Y525 VanDerWaalsContact O-N 3.15Å; S523-M526 WeakPolarHBondContact O-CA 3.46Å; S523-M526 WeakPolarHBondContact O-CB 3.3Å; S523-M526 PolarHBondContact O-N 3.02Å; S523-E527 WeakPolarHBondContact O-CG 3.38Å; S523-E527 PolarHBondContact O-N 2.84Å
524	D	90.5	Very high	93.5	Very high	102 Å²	102	56.3 Å²	56.3	55%	0.545	29%	0.286	S	S	.	.	H	α-helix	trans	-59.3	-33.1	-175.1	-62.1	8.4	0	0	0	111.9	V522	V522-D524 HydrophobicContact CG1-CB 4.27Å
525	Y	91.4	Very high	93.6	Very high	26 Å²	26	60.2 Å²	60.2	10%	0.102	30%	0.303	C	S	.	.	H	α-helix	trans	-75.4	-39.1	177	-58	-9.4	0	0	0	110.8	L381 Y384 Q385 H520 V522 S523 Q528 F529	L381-Y525 HydrophobicContact CD2-CD1 3.54Å; L381-Y525 HydrophobicContact CD2-CE1 4Å; L381-Y525 HydrophobicContact CD2-CG 4.03Å; Y384-Y525 HydrophobicContact CD2-CD2 4.2Å; Y384-Y525 AromaticContact CD2-CE2 3.77Å; Y384-Y525 HydrophobicContact CD2-CE2 3.77Å; Y384-Y525 HydrophobicContact CE2-CE2 4.07Å; Q385-Y525 PolarHBondContact N-OH 2.8Å; Q385-Y525 PolarHBondContact O-OH 3.42Å; Q385-Y525 VanDerWaalsContact O-OH 3.12Å; H520-Y525 AromaticContact CE1-CD2 3.4Å; H520-Y525 WeakPolarHBondContact CE1-CD2 3.5Å; H520-Y525 AromaticContact NE2-CD2 3.9Å; V522-Y525 HydrophobicContact CB-CD2 3.81Å; V522-Y525 HydrophobicContact CB-CE2 4.07Å; V522-Y525 HydrophobicContact CB-CG 4.07Å; V522-Y525 HydrophobicContact CG1-CD1 3.95Å; V522-Y525 HydrophobicContact CG1-CD2 3.99Å; V522-Y525 HydrophobicContact CG1-CE1 4.04Å; V522-Y525 HydrophobicContact CG1-CE2 4.06Å; V522-Y525 HydrophobicContact CG1-CG 3.91Å; V522-Y525 HydrophobicContact CG2-CD2 4.23Å; V522-Y525 HydrophobicContact CG2-CE2 4.07Å; S523-Y525 PolarHBondContact O-N 3.37Å; S523-Y525 VanDerWaalsContact O-N 3.15Å; Y525-Q528 WeakPolarHBondContact O-CB 3.36Å; Y525-Q528 PolarHBondContact O-N 2.7Å; Y525-F529 WeakPolarHBondContact O-CD2 3.13Å
526	M	91.9	Very high	93.7	Very high	36 Å²	36	60.7 Å²	60.7	18%	0.177	31%	0.307	C	S	.	.	H	α-helix	trans	-65.2	-38	176.5	-66.4	-169.1	-70.7	0	0	112.5	I515 H520 S523 Q528 F529 R532	I515-M526 HydrophobicContact CG1-CG 4.19Å; I515-M526 HydrophobicContact CG2-CG 4.28Å; H520-M526 HydrophobicContact CB-CG 3.83Å; H520-M526 HydrophobicContact CB-SD 4.02Å; H520-M526 VanDerWaalsContact O-CE 3.26Å; H520-M526 WeakPolarHBondContact O-CE 3.28Å; S523-M526 WeakPolarHBondContact O-CA 3.46Å; S523-M526 WeakPolarHBondContact O-CB 3.3Å; S523-M526 PolarHBondContact O-N 3.02Å; M526-Q528 PolarHBondContact O-N 3.17Å; M526-Q528 VanDerWaalsContact O-N 3.14Å; M526-F529 PolarHBondContact O-N 3.44Å; M526-R532 WeakPolarHBondContact O-CD 3.38Å; M526-R532 PolarHBondContact O-NH1 3.4Å
527	E	92.3	Very high	93.7	Very high	138 Å²	138	61.5 Å²	61.5	65%	0.645	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21	179.1	-73.1	179.2	-172.6	0	0	113	S523 F529	S523-E527 WeakPolarHBondContact O-CG 3.38Å; S523-E527 PolarHBondContact O-N 2.84Å; E527-F529 PolarHBondContact O-N 3.48Å
528	Q	91.6	Very high	93.8	Very high	74 Å²	74	60.7 Å²	60.7	35%	0.346	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-11	174.5	-59.2	-57.5	-48.7	0	0	113.5	L381 R505 Y525 M526	L381-Q528 HydrophobicContact CD1-CB 3.65Å; L381-Q528 HydrophobicContact CD1-CG 3.59Å; L381-Q528 HydrophobicContact CG-CG 4.14Å; R505-Q528 PolarHBondContact NE-O 2.8Å; R505-Q528 PolarHBondContact NH1-O 3.06Å; Y525-Q528 WeakPolarHBondContact O-CB 3.36Å; Y525-Q528 PolarHBondContact O-N 2.7Å; M526-Q528 PolarHBondContact O-N 3.17Å; M526-Q528 VanDerWaalsContact O-N 3.14Å
529	F	93.1	Very high	93.8	Very high	3 Å²	3	57 Å²	57	1%	0.013	29%	0.288	C	S	.	.			trans	-124.4	103.2	-178.5	-62.4	-88.3	0	0	0	110	L381 A500 R505 L507 F512 I515 M516 Y525 M526 E527 R532	L381-F529 HydrophobicContact CD1-CE2 3.79Å; L381-F529 HydrophobicContact CD1-CZ 4.38Å; A500-F529 HydrophobicContact CB-CD1 4.22Å; R505-F529 HydrophobicContact CB-CE1 4.3Å; R505-F529 HydrophobicContact CB-CZ 3.91Å; L507-F529 HydrophobicContact CD2-CE2 3.95Å; L507-F529 HydrophobicContact CD2-CZ 4.05Å; F512-F529 HydrophobicContact CD2-CE1 4.13Å; F512-F529 HydrophobicContact CD2-CZ 4.03Å; F512-F529 HydrophobicContact CE2-CD1 4.2Å; F512-F529 AromaticContact CE2-CE1 3.69Å; F512-F529 HydrophobicContact CE2-CE1 3.69Å; F512-F529 HydrophobicContact CE2-CZ 4.08Å; I515-F529 HydrophobicContact CD1-CD2 4.44Å; I515-F529 HydrophobicContact CD1-CE2 4.16Å; I515-F529 HydrophobicContact CG2-CB 4.1Å; I515-F529 HydrophobicContact CG2-CD2 3.52Å; I515-F529 HydrophobicContact CG2-CE2 4.18Å; I515-F529 HydrophobicContact CG2-CG 4.01Å; M516-F529 HydrophobicContact SD-CB 4.34Å; M516-F529 HydrophobicContact SD-CD1 4.17Å; M516-F529 HydrophobicContact SD-CG 4.32Å; Y525-F529 WeakPolarHBondContact O-CD2 3.13Å; M526-F529 PolarHBondContact O-N 3.44Å; E527-F529 PolarHBondContact O-N 3.48Å; F529-R532 HydrophobicContact CB-CG 3.99Å; F529-R532 VanDerWaalsContact O-CD 3.25Å; F529-R532 WeakPolarHBondContact O-CD 3.4Å; F529-R532 WeakPolarHBondContact O-CG 3.44Å; F529-R532 PolarHBondContact O-NH1 2.92Å
530	E	89.6	Confident	93.6	Very high	170 Å²	170	55.2 Å²	55.2	79%	0.794	28%	0.281	S	S	*	.	S	Bend	trans	-63.9	-47	-173.9	-66	177.2	-175.9	0	0	113
531	N	93.1	Very high	93.5	Very high	103 Å²	103	56.4 Å²	56.4	55%	0.551	29%	0.29	S	S	*	.			trans	-95.6	107.9	-179.7	-63.2	-53.1	0	0	0	110.1	M516	M516-N531 WeakPolarHBondContact CE-O 3.49Å
532	R	95.3	Very high	93.6	Very high	68 Å²	68	53.8 Å²	53.8	26%	0.257	27%	0.271	S	S	.	.			trans	-127	61.7	-179.8	-61.1	175.7	-49.9	-93.6	-8.2	109.5	I515 M516 N518 M526 F529	I515-R532 HydrophobicContact CG2-CG 4.39Å; I515-R532 VanDerWaalsContact O-CD 3.27Å; I515-R532 WeakPolarHBondContact O-CD 3.1Å; I515-R532 WeakPolarHBondContact O-CG 3.16Å; M516-R532 CarbonylContact O-C 3.21Å; M516-R532 VanDerWaalsContact O-CA 3.25Å; M516-R532 WeakPolarHBondContact O-CA 3.46Å; N518-R532 PolarHBondContact ND2-O 3.01Å; N518-R532 WeakPolarHBondContact OD1-CB 3.35Å; N518-R532 PolarHBondContact OD1-NE 2.97Å; M526-R532 WeakPolarHBondContact O-CD 3.38Å; M526-R532 PolarHBondContact O-NH1 3.4Å; F529-R532 HydrophobicContact CB-CG 3.99Å; F529-R532 VanDerWaalsContact O-CD 3.25Å; F529-R532 WeakPolarHBondContact O-CD 3.4Å; F529-R532 WeakPolarHBondContact O-CG 3.44Å; F529-R532 PolarHBondContact O-NH1 2.92Å
533	D	96.4	Very high	93.9	Very high	90 Å²	90	52.1 Å²	52.1	48%	0.481	26%	0.261	S	S	.	.			trans	-109.3	23.3	-173.3	68.8	-32.4	0	0	0	113	K496 M516	K496-D533 PolarHBondContact NZ-O 2.87Å; M516-D533 PolarHBondContact O-N 2.7Å
534	L	98.1	Very high	94.1	Very high	9 Å²	9	49.3 Å²	49.3	5%	0.047	24%	0.241	C	C	.	.			trans	-71.2	129.7	174.9	-162.5	82.3	0	0	0	109.8	D451 L452 K496 L497 M516 Y517	D451-L534 HydrophobicContact CB-CD1 3.51Å; D451-L534 HydrophobicContact CB-CG 3.85Å; D451-L534 WeakPolarHBondContact OD2-CA 3.38Å; L452-L534 HydrophobicContact CB-CD2 4.34Å; K496-L534 HydrophobicContact CB-CD1 4.18Å; K496-L534 HydrophobicContact CD-CD1 4.33Å; L497-L534 HydrophobicContact CD2-CD1 3.98Å; L497-L534 HydrophobicContact CD2-CD2 3.89Å; L497-L534 HydrophobicContact CG-CD1 4.1Å; M516-L534 HydrophobicContact CB-CB 3.99Å; M516-L534 HydrophobicContact CB-CD2 4.13Å; M516-L534 WeakPolarHBondContact O-CB 3.33Å; M516-L534 PolarHBondContact O-N 3.37Å; Y517-L534 WeakPolarHBondContact CA-O 3.45Å; Y517-L534 WeakPolarHBondContact CB-O 3.48Å; Y517-L534 HydrophobicContact CD1-CD2 4.13Å
535	K	98.5	Very high	94.1	Very high	83 Å²	83	47 Å²	47	36%	0.361	23%	0.226	S	C	.	.			trans	-96.2	97.3	176.3	-62.4	-179.8	-177.8	-178.8	0	109.3	D449 D451 L452 F537	D449-K535 HydrophobicContact CB-CD 4.43Å; D449-K535 VanDerWaalsContact O-CD 3.26Å; D449-K535 WeakPolarHBondContact O-CD 3.27Å; D449-K535 IonicContact OD1-NZ 3.69Å; D449-K535 PolarHBondContact OD1-NZ 3.4Å; D449-K535 IonicContact OD2-NZ 2.95Å; D449-K535 PolarHBondContact OD2-NZ 3.47Å; D451-K535 HydrophobicContact CB-CB 4.45Å; D451-K535 PolarHBondContact N-O 2.83Å; D451-K535 WeakPolarHBondContact OD2-CB 3.46Å; D451-K535 PolarHBondContact OD2-N 2.84Å; L452-K535 PolarHBondContact N-O 2.89Å; L452-K535 VanDerWaalsContact N-O 3.15Å; K535-F537 HydrophobicContact CB-CE2 4.16Å
536	A	98.3	Very high	94	Very high	10 Å²	10	46.2 Å²	46.2	8%	0.083	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.9	-176.8	0	0	0	0	0	112.4	L452 A478 Y517	L452-A536 HydrophobicContact CD2-CB 4.43Å; L452-A536 CarbonylContact O-C 3.54Å; L452-A536 VanDerWaalsContact O-CA 3.31Å; L452-A536 WeakPolarHBondContact O-CA 3.3Å; A478-A536 HydrophobicContact CB-CB 4.11Å; A478-A536 PolarHBondContact N-O 3.19Å; Y517-A536 HydrophobicContact CD1-CB 3.39Å; Y517-A536 HydrophobicContact CD2-CB 3.91Å; Y517-A536 HydrophobicContact CE1-CB 3.78Å; Y517-A536 HydrophobicContact CE2-CB 4.26Å; Y517-A536 HydrophobicContact CG-CB 3.49Å; Y517-A536 VanDerWaalsContact CG-CB 3.49Å
537	F	98.4	Very high	93.7	Very high	19 Å²	19	45.2 Å²	45.2	8%	0.083	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	172.3	175	-56.9	-89.9	0	0	0	110.6	L448 W450 L452 I453 Y454 V469 L475 V476 E477 K535	L448-F537 HydrophobicContact CD1-CE1 4.33Å; L448-F537 HydrophobicContact CD1-CE2 4.46Å; L448-F537 HydrophobicContact CD1-CZ 3.88Å; L448-F537 HydrophobicContact CD2-CD2 4.25Å; L448-F537 HydrophobicContact CD2-CE1 4.3Å; L448-F537 HydrophobicContact CD2-CE2 4.02Å; L448-F537 HydrophobicContact CD2-CG 4.5Å; L448-F537 HydrophobicContact CD2-CZ 4.04Å; L448-F537 HydrophobicContact CG-CE2 4.31Å; L448-F537 HydrophobicContact CG-CZ 4.21Å; W450-F537 HydrophobicContact CB-CD2 3.76Å; W450-F537 HydrophobicContact CB-CE2 3.66Å; L452-F537 PolarHBondContact O-N 2.87Å; I453-F537 CarbonylContact C-O 3.55Å; I453-F537 WeakPolarHBondContact CA-O 3.43Å; I453-F537 HydrophobicContact CG1-CB 4.17Å; I453-F537 HydrophobicContact CG2-CB 4.39Å; Y454-F537 WeakPolarHBondContact CD2-O 3.33Å; Y454-F537 PolarHBondContact N-O 3.21Å; V469-F537 HydrophobicContact CG2-CD1 3.5Å; V469-F537 HydrophobicContact CG2-CE1 3.64Å; L475-F537 HydrophobicContact CD1-CB 3.77Å; L475-F537 HydrophobicContact CD2-CB 4.47Å; L475-F537 HydrophobicContact CD2-CD1 4.48Å; L475-F537 HydrophobicContact CG-CB 4.13Å; L475-F537 HydrophobicContact CG-CD1 4.48Å; V476-F537 CarbonylContact O-C 3.54Å; V476-F537 WeakPolarHBondContact O-CA 3.48Å; V476-F537 WeakPolarHBondContact O-CB 3.41Å; E477-F537 HydrophobicContact CG-CD1 4.21Å; E477-F537 HydrophobicContact CG-CE1 3.94Å; K535-F537 HydrophobicContact CB-CE2 4.16Å
538	S	97.6	Very high	93.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	140	175.2	-178.8	0	0	0	0	110.7	Y454 R457 V476	Y454-S538 WeakPolarHBondContact O-CA 3.48Å; R457-S538 PolarHBondContact NE-OG 3.41Å; R457-S538 PolarHBondContact NH2-OG 2.7Å; V476-S538 WeakPolarHBondContact CG2-O 3.39Å; V476-S538 PolarHBondContact N-O 3.2Å; V476-S538 PolarHBondContact O-N 3.4Å
539	A	96.3	Very high	92.3	Very high	2 Å²	2	41 Å²	41	2%	0.017	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	139.6	164.1	0	0	0	0	0	110.2	L439 Y454 N474 L543	L439-A539 HydrophobicContact CD2-CB 4.18Å; Y454-A539 PolarHBondContact O-N 2.78Å; N474-A539 CarbonylContact O-C 3.51Å; N474-A539 VanDerWaalsContact O-CA 3.29Å; N474-A539 WeakPolarHBondContact O-CA 3.44Å; A539-L543 HydrophobicContact CB-CD1 4.18Å; A539-L543 HydrophobicContact CB-CG 3.99Å
540	E	91.3	Very high	90.8	Very high	39 Å²	39	43.3 Å²	43.3	18%	0.182	21%	0.212	C	C	.	.	S	Bend	trans	-141	109.3	179.7	179.7	61.7	-118.1	0	0	110.4	N474 V476 N595 V598	N474-E540 WeakPolarHBondContact CA-O 3.46Å; N474-E540 VanDerWaalsContact CB-O 3.23Å; N474-E540 WeakPolarHBondContact CB-O 3.47Å; N474-E540 PolarHBondContact ND2-O 2.9Å; N474-E540 PolarHBondContact O-N 3.14Å; V476-E540 HydrophobicContact CG1-CB 3.97Å; V476-E540 HydrophobicContact CG1-CG 4.25Å; V476-E540 HydrophobicContact CG2-CB 4.26Å; E540-N595 HydrophobicContact CG-CB 4.02Å; E540-N595 PolarHBondContact OE2-ND2 3.1Å; E540-V598 HydrophobicContact CB-CG1 4.4Å; E540-V598 HydrophobicContact CG-CG1 4.36Å; E540-V598 HydrophobicContact CG-CG2 4.12Å
541	P	90.7	Very high	89.3	Confident	33 Å²	33	37.8 Å²	37.8	21%	0.214	20%	0.201	C	C	.	.	S	Bend	cis	-74	159.2	-0.4	28.5	-28.5	0	0	0	112	R435	R435-P541 PolarHBondContact NH2-O 3.03Å
542	L	92.6	Very high	88	Confident	26 Å²	26	35.3 Å²	35.3	14%	0.136	19%	0.188	C	C	.	.			trans	-53.7	152.4	177.4	-63.2	173.3	0	0	0	112.1	R457 F545	R457-L542 HydrophobicContact CG-CD1 4.5Å; R457-L542 HydrophobicContact CG-CD2 3.89Å; R457-L542 WeakPolarHBondContact O-CD1 3.35Å; L542-F545 HydrophobicContact CB-CE1 4.07Å; L542-F545 HydrophobicContact CB-CE2 4.35Å; L542-F545 HydrophobicContact CB-CZ 3.8Å; L542-F545 HydrophobicContact CD1-CE1 4.1Å
543	L	94.8	Very high	86.6	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.021	22%	0.216	C	C	.	.	S	Bend	trans	-101.8	-21	-175.7	-60.1	179.8	0	0	0	112.2	E429 F432 R435 L436 I455 A539	E429-L543 WeakPolarHBondContact CB-O 3.45Å; E429-L543 PolarHBondContact N-O 2.91Å; F432-L543 HydrophobicContact CD2-CB 3.73Å; F432-L543 WeakPolarHBondContact CD2-O 3.21Å; F432-L543 HydrophobicContact CE2-CB 3.8Å; R435-L543 HydrophobicContact CB-CD2 3.8Å; L436-L543 HydrophobicContact CB-CD1 4.07Å; L436-L543 HydrophobicContact CD1-CD1 3.68Å; I455-L543 HydrophobicContact CB-CB 4.24Å; I455-L543 HydrophobicContact CB-CD1 4.32Å; I455-L543 HydrophobicContact CG2-CD1 4.1Å; I455-L543 PolarHBondContact O-N 2.06Å; A539-L543 HydrophobicContact CB-CD1 4.18Å; A539-L543 HydrophobicContact CB-CG 3.99Å
544	V	94.4	Very high	85	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	149.5	175.3	-58.2	0	0	0	0	111.4	L426 R427 F428 F432 I455 G456	L426-V544 HydrophobicContact CB-CB 4.36Å; L426-V544 HydrophobicContact CD1-CB 3.96Å; L426-V544 HydrophobicContact CD1-CG1 3.83Å; L426-V544 HydrophobicContact CD2-CB 4.13Å; L426-V544 HydrophobicContact CD2-CG1 4.3Å; L426-V544 HydrophobicContact CD2-CG2 3.96Å; L426-V544 HydrophobicContact CG-CB 4.37Å; R427-V544 VanDerWaalsContact O-CA 3.25Å; R427-V544 WeakPolarHBondContact O-CA 3.24Å; R427-V544 WeakPolarHBondContact O-CB 3.44Å; F428-V544 HydrophobicContact CD1-CG1 3.68Å; F428-V544 HydrophobicContact CE1-CG1 4.06Å; F428-V544 HydrophobicContact CG-CG1 4.47Å; F432-V544 HydrophobicContact CD2-CG1 3.99Å; F432-V544 HydrophobicContact CE2-CG1 3.59Å; F432-V544 HydrophobicContact CZ-CG1 4.31Å; I455-V544 HydrophobicContact CD1-CG1 4.25Å; I455-V544 HydrophobicContact CD1-CG2 4.22Å; I455-V544 HydrophobicContact CG1-CG2 4.16Å; I455-V544 PolarHBondContact O-N 3.43Å; I455-V544 VanDerWaalsContact O-N 3.1Å; G456-V544 WeakPolarHBondContact CA-O 3.48Å
545	F	91.4	Very high	83.7	Confident	54 Å²	54	39.6 Å²	39.6	24%	0.237	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	158.6	-178.4	-66.7	-83.4	0	0	0	109.9	L426 R427 E429 L542	L426-F545 CarbonylContact C-O 3.5Å; L426-F545 WeakPolarHBondContact CA-O 3.32Å; L426-F545 WeakPolarHBondContact CB-O 3.37Å; R427-F545 HydrophobicContact CG-CB 4.08Å; R427-F545 WeakPolarHBondContact CG-O 3.44Å; R427-F545 PolarHBondContact N-O 2.87Å; R427-F545 PolarHBondContact O-N 2.95Å; E429-F545 HydrophobicContact CB-CE2 4.31Å; E429-F545 HydrophobicContact CG-CE2 4.22Å; E429-F545 WeakPolarHBondContact OE2-CD2 3.42Å; E429-F545 VanDerWaalsContact OE2-CE2 3.32Å; E429-F545 WeakPolarHBondContact OE2-CE2 3Å; L542-F545 HydrophobicContact CB-CE1 4.07Å; L542-F545 HydrophobicContact CB-CE2 4.35Å; L542-F545 HydrophobicContact CB-CZ 3.8Å; L542-F545 HydrophobicContact CD1-CE1 4.1Å
546	P	88.5	Confident	82.3	Confident	10 Å²	10	40.8 Å²	40.8	7%	0.065	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	149.5	175	30.8	-34.5	0	0	0	110.2	R427 W483 L485 H548 Y549	R427-P546 PolarHBondContact NE-O 2.93Å; W483-P546 HydrophobicContact CE3-CG 4.48Å; W483-P546 HydrophobicContact CH2-CG 4.21Å; W483-P546 HydrophobicContact CZ3-CG 3.82Å; L485-P546 HydrophobicContact CD1-CB 4.14Å; L485-P546 HydrophobicContact CD1-CG 4.27Å; L485-P546 HydrophobicContact CD2-CB 4.24Å; P546-H548 VanDerWaalsContact C-N 3.31Å; P546-Y549 HydrophobicContact CG-CD1 3.92Å; P546-Y549 HydrophobicContact CG-CE1 3.43Å; P546-Y549 VanDerWaalsContact CG-CE1 3.43Å; P546-Y549 HydrophobicContact CG-CE2 4.21Å
547	T	84.8	Confident	81	Confident	15 Å²	15	40.5 Å²	40.5	9%	0.092	25%	0.247	C	C	.	.	S	Bend	trans	-69	-33.1	173.8	50.4	0	0	0	0	112.4	V305 D425 L426 R427	V305-T547 HydrophobicContact CG1-CG2 3.92Å; V305-T547 HydrophobicContact CG2-CG2 4.46Å; D425-T547 WeakPolarHBondContact O-CB 3.36Å; D425-T547 VanDerWaalsContact O-CG2 3.32Å; D425-T547 WeakPolarHBondContact O-CG2 3.3Å; D425-T547 PolarHBondContact O-N 2.72Å; D425-T547 PolarHBondContact O-OG1 3.39Å; L426-T547 WeakPolarHBondContact O-CG2 3.2Å; R427-T547 HydrophobicContact CB-CG2 4.32Å
548	H	79.8	Confident	79.8	Confident	49 Å²	49	40.5 Å²	40.5	23%	0.227	25%	0.247	C	C	.	.	S	Bend	trans	-144.9	150.8	-177.8	-60	81.1	0	0	0	109	P546 D552 Y555	P546-H548 VanDerWaalsContact C-N 3.31Å; H548-D552 WeakPolarHBondContact CA-OD2 3.35Å; H548-D552 HydrophobicContact CB-CB 4.46Å; H548-Y555 HydrophobicContact CB-CD1 4.1Å; H548-Y555 HydrophobicContact CB-CD2 3.38Å; H548-Y555 HydrophobicContact CB-CE1 4.46Å; H548-Y555 HydrophobicContact CB-CE2 3.79Å; H548-Y555 HydrophobicContact CB-CG 3.57Å; H548-Y555 AromaticContact CG-CD2 3.79Å
549	Y	75.2	Confident	78.1	Confident	75 Å²	75	42.8 Å²	42.8	29%	0.294	26%	0.261	S	S	.	.			trans	-102.5	151.2	174.7	-63.4	-91.3	0	0	0	110.3	W483 P546 G551 D552 Y555	W483-Y549 AromaticContact CH2-CD1 3.72Å; W483-Y549 HydrophobicContact CH2-CD1 3.72Å; W483-Y549 AromaticContact CH2-CE1 3.65Å; W483-Y549 HydrophobicContact CH2-CE1 3.65Å; W483-Y549 HydrophobicContact CZ2-CD1 4.47Å; W483-Y549 HydrophobicContact CZ3-CE1 4.07Å; P546-Y549 HydrophobicContact CG-CD1 3.92Å; P546-Y549 HydrophobicContact CG-CE1 3.43Å; P546-Y549 VanDerWaalsContact CG-CE1 3.43Å; P546-Y549 HydrophobicContact CG-CE2 4.21Å; Y549-G551 PolarHBondContact O-N 3.48Å; Y549-D552 PolarHBondContact N-OD2 3.23Å; Y549-D552 VanDerWaalsContact O-CB 3.24Å; Y549-D552 WeakPolarHBondContact O-CB 3.41Å; Y549-D552 PolarHBondContact O-N 2.99Å; Y549-Y555 WeakPolarHBondContact O-CD1 3.17Å
550	T	61.6	Low	76.4	Confident	50 Å²	50	44.5 Å²	44.5	31%	0.307	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	127	173.5	-54.5	0	0	0	0	110	D575	T550-D575 WeakPolarHBondContact CG2-OD1 3.27Å
551	G	59.6	Low	74.8	Confident	55 Å²	55	43.9 Å²	43.9	57%	0.567	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	96	-8	-173.7	0	0	0	0	0	115.1	Y549	Y549-G551 PolarHBondContact O-N 3.48Å
552	D	64.6	Low	73.3	Confident	50 Å²	50	42.9 Å²	42.9	27%	0.267	26%	0.262	S	S	.	.			trans	-62.5	139.2	172.9	-82.5	-15.6	0	0	0	111.3	H548 Y549 G554 Y555	H548-D552 WeakPolarHBondContact CA-OD2 3.35Å; H548-D552 HydrophobicContact CB-CB 4.46Å; Y549-D552 PolarHBondContact N-OD2 3.23Å; Y549-D552 VanDerWaalsContact O-CB 3.24Å; Y549-D552 WeakPolarHBondContact O-CB 3.41Å; Y549-D552 PolarHBondContact O-N 2.99Å; D552-G554 PolarHBondContact O-N 2.94Å; D552-G554 VanDerWaalsContact O-N 3.11Å; D552-Y555 WeakPolarHBondContact O-CB 3.2Å; D552-Y555 PolarHBondContact O-N 2.91Å
553	P	65.1	Low	71.9	Confident	133 Å²	133	43 Å²	43	86%	0.864	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	119.2	-179.5	-25.4	33.9	0	0	0	112.6	Y555	P553-Y555 VanDerWaalsContact C-N 3.32Å
554	G	63.7	Low	70.4	Confident	84 Å²	84	43.4 Å²	43.4	87%	0.866	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-0.8	178.3	0	0	0	0	0	115.1	D552	D552-G554 PolarHBondContact O-N 2.94Å; D552-G554 VanDerWaalsContact O-N 3.11Å
555	Y	71.4	Confident	68.7	Low	41 Å²	41	44.9 Å²	44.9	16%	0.161	27%	0.272	C	S	.	.			trans	-85.1	138.3	172.3	-175.1	-114.1	0	0	0	111.1	R342 D425 H548 Y549 D552 P553	R342-Y555 VanDerWaalsContact NH2-CE2 3.34Å; R342-Y555 PolarHBondContact NH2-OH 3.34Å; D425-Y555 PolarHBondContact OD2-OH 2.79Å; H548-Y555 HydrophobicContact CB-CD1 4.1Å; H548-Y555 HydrophobicContact CB-CD2 3.38Å; H548-Y555 HydrophobicContact CB-CE1 4.46Å; H548-Y555 HydrophobicContact CB-CE2 3.79Å; H548-Y555 HydrophobicContact CB-CG 3.57Å; H548-Y555 AromaticContact CG-CD2 3.79Å; Y549-Y555 WeakPolarHBondContact O-CD1 3.17Å; D552-Y555 WeakPolarHBondContact O-CB 3.2Å; D552-Y555 PolarHBondContact O-N 2.91Å; P553-Y555 VanDerWaalsContact C-N 3.32Å
556	I	68.1	Low	67.4	Low	108 Å²	108	46.2 Å²	46.2	55%	0.554	28%	0.282	S	S	*	.			trans	-128.8	121.4	175.1	-59.7	175.4	0	0	0	107.2	T561	I556-T561 HydrophobicContact CG2-CG2 4.3Å; I556-T561 WeakPolarHBondContact CG2-OG1 3.42Å
557	S	70.6	Confident	66.1	Low	4 Å²	4	48.9 Å²	48.9	3%	0.028	30%	0.295	C	S	.	.			trans	-79.5	125.4	177.6	174.5	0	0	0	0	111.2	T559 E560 T561	S557-T559 VanDerWaalsContact C-N 3.32Å; S557-T559 PolarHBondContact OG-N 2.99Å; S557-T559 PolarHBondContact OG-OG1 3.07Å; S557-T559 VanDerWaalsContact OG-OG1 3.05Å; S557-E560 WeakPolarHBondContact OG-CG 2.98Å; S557-E560 PolarHBondContact OG-N 3.12Å; S557-T561 WeakPolarHBondContact O-CB 3.07Å; S557-T561 PolarHBondContact O-N 2.71Å; S557-T561 PolarHBondContact O-OG1 3.06Å
558	D	74.3	Confident	65	Low	18 Å²	18	52.4 Å²	52.4	10%	0.096	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-19.7	178.1	-82.7	-54.8	0	0	0	113.1	L336 R338 R339 K366	L336-D558 HydrophobicContact CD1-CB 3.98Å; R338-D558 IonicContact CZ-OD1 2.7Å; R338-D558 IonicContact NH1-OD1 2.72Å; R338-D558 PolarHBondContact NH1-OD1 2.91Å; R338-D558 IonicContact NH2-OD1 2.82Å; R338-D558 PolarHBondContact NH2-OD1 3.35Å; R339-D558 IonicContact CZ-OD2 2.73Å; R339-D558 IonicContact NH1-OD2 3.61Å; R339-D558 PolarHBondContact NH1-OD2 3.16Å; K366-D558 IonicContact NZ-OD1 3.79Å
559	T	60.7	Low	64.1	Low	48 Å²	48	59.5 Å²	59.5	29%	0.294	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-49.9	175.1	51.5	0	0	0	0	111.3	T394 C400 S557	T394-T559 PolarHBondContact OG1-O 3.48Å; C400-T559 HydrophobicContact CB-CG2 4.13Å; S557-T559 VanDerWaalsContact C-N 3.32Å; S557-T559 PolarHBondContact OG-N 2.99Å; S557-T559 PolarHBondContact OG-OG1 3.07Å; S557-T559 VanDerWaalsContact OG-OG1 3.05Å
560	E	62.3	Low	63.6	Low	38 Å²	38	58.8 Å²	58.8	18%	0.178	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-38.8	-173	-60	-75.6	162.3	0	0	112.8	R391 S557 S562 T572	R391-E560 IonicContact CZ-OE2 3.19Å; R391-E560 VanDerWaalsContact CZ-OE2 3.25Å; R391-E560 IonicContact NH1-OE2 2.83Å; R391-E560 PolarHBondContact NH1-OE2 3.29Å; R391-E560 IonicContact NH2-OE1 3.99Å; R391-E560 IonicContact NH2-OE2 3.63Å; R391-E560 PolarHBondContact NH2-OE2 3.2Å; S557-E560 WeakPolarHBondContact OG-CG 2.98Å; S557-E560 PolarHBondContact OG-N 3.12Å; E560-S562 PolarHBondContact O-N 2.84Å; E560-S562 VanDerWaalsContact O-N 3.17Å; E560-T572 PolarHBondContact O-OG1 3.38Å
561	T	56.6	Low	63.4	Low	26 Å²	26	66.5 Å²	66.5	16%	0.16	37%	0.371	C	S	.	.	S	Bend	trans	-91.9	64.4	-172	67.2	0	0	0	0	113.6	K366 I556 S557 D575	K366-T561 WeakPolarHBondContact CE-O 3.19Å; K366-T561 PolarHBondContact NZ-O 2.8Å; I556-T561 HydrophobicContact CG2-CG2 4.3Å; I556-T561 WeakPolarHBondContact CG2-OG1 3.42Å; S557-T561 WeakPolarHBondContact O-CB 3.07Å; S557-T561 PolarHBondContact O-N 2.71Å; S557-T561 PolarHBondContact O-OG1 3.06Å; T561-D575 HydrophobicContact CG2-CB 4Å; T561-D575 VanDerWaalsContact CG2-CG 3.45Å; T561-D575 WeakPolarHBondContact CG2-OD2 3.43Å
562	S	58.6	Low	63.3	Low	13 Å²	13	63.9 Å²	63.9	9%	0.091	34%	0.344	C	S	.	.	S	Bend	trans	-127.9	-133.1	179.3	67.7	0	0	0	0	113.3	T394 K395 G396 E560 T572	T394-S562 WeakPolarHBondContact CB-OG 3.3Å; K395-S562 PolarHBondContact N-OG 2.93Å; G396-S562 PolarHBondContact N-OG 3.17Å; G396-S562 VanDerWaalsContact N-OG 3.11Å; E560-S562 PolarHBondContact O-N 2.84Å; E560-S562 VanDerWaalsContact O-N 3.17Å; S562-T572 WeakPolarHBondContact CA-OG1 3.28Å; S562-T572 PolarHBondContact N-OG1 2.62Å; S562-T572 PolarHBondContact O-N 3.4Å; S562-T572 PolarHBondContact O-OG1 3.16Å; S562-T572 VanDerWaalsContact O-OG1 3.07Å
563	T	63.8	Low	62.9	Low	27 Å²	27	65 Å²	65	17%	0.166	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	164.5	171.3	59	0	0	0	0	108.2	K395 W565 V570	K395-T563 WeakPolarHBondContact CD-OG1 3.5Å; K395-T563 PolarHBondContact N-O 3.41Å; T563-W565 PolarHBondContact O-N 3.03Å; T563-V570 WeakPolarHBondContact CA-O 3.43Å; T563-V570 VanDerWaalsContact CB-O 3.27Å; T563-V570 WeakPolarHBondContact CB-O 3.5Å
564	V	64.3	Low	62.6	Low	13 Å²	13	62.1 Å²	62.1	8%	0.079	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	141	170.2	-176.1	0	0	0	0	108.9	P392 D566 N567 V570 T572	P392-V564 HydrophobicContact CB-CG1 4.19Å; P392-V564 HydrophobicContact CG-CG1 3.93Å; P392-V564 HydrophobicContact CG-CG2 4.08Å; V564-D566 VanDerWaalsContact C-N 3.28Å; V564-D566 WeakPolarHBondContact CG1-OD1 3.44Å; V564-D566 PolarHBondContact O-N 3.27Å; V564-N567 HydrophobicContact CB-CB 4.46Å; V564-N567 PolarHBondContact O-N 2.88Å; V564-V570 HydrophobicContact CB-CB 4.38Å; V564-V570 HydrophobicContact CG2-CB 3.79Å; V564-V570 HydrophobicContact CG2-CG1 3.63Å; V564-V570 PolarHBondContact N-O 3.34Å; V564-V570 VanDerWaalsContact N-O 3.09Å; V564-T572 HydrophobicContact CG2-CG2 3.9Å
565	W	57.5	Low	61.8	Low	31 Å²	31	59.6 Å²	59.6	12%	0.117	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-37.6	-170	72.5	-77.3	0	0	0	114.5	I373 M380 L393 T563	I373-W565 HydrophobicContact CG2-CE3 4.45Å; I373-W565 HydrophobicContact CG2-CZ3 4.32Å; M380-W565 HydrophobicContact CB-CH2 3.89Å; M380-W565 HydrophobicContact CB-CZ2 3.61Å; M380-W565 HydrophobicContact CE-CZ2 4.12Å; M380-W565 HydrophobicContact CG-CZ2 4.32Å; M380-W565 HydrophobicContact SD-CD2 4.48Å; M380-W565 VanDerWaalsContact SD-CE2 3.59Å; M380-W565 HydrophobicContact SD-CZ2 3.89Å; M380-W565 PolarHBondContact SD-NE1 3.45Å; L393-W565 HydrophobicContact CB-CB 4.42Å; L393-W565 HydrophobicContact CB-CG 4.21Å; L393-W565 HydrophobicContact CD2-CB 4.35Å; L393-W565 HydrophobicContact CD2-CG 4.37Å; L393-W565 HydrophobicContact CG-CB 4.33Å; L393-W565 WeakPolarHBondContact O-CB 3.34Å; L393-W565 PolarHBondContact O-N 3.32Å; T563-W565 PolarHBondContact O-N 3.03Å
566	D	63.6	Low	60.5	Low	83 Å²	83	66.6 Å²	66.6	44%	0.444	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	0.3	-177	65.6	-10.9	0	0	0	114.1	V564	V564-D566 VanDerWaalsContact C-N 3.28Å; V564-D566 WeakPolarHBondContact CG1-OD1 3.44Å; V564-D566 PolarHBondContact O-N 3.27Å
567	N	61.6	Low	59.2	Low	65 Å²	65	68 Å²	68	35%	0.348	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	95.9	-173.2	-168.1	-9.9	0	0	0	112.8	V564 K569 V570	V564-N567 HydrophobicContact CB-CB 4.46Å; V564-N567 PolarHBondContact O-N 2.88Å; N567-K569 PolarHBondContact O-N 2.98Å; N567-K569 WeakPolarHBondContact OD1-CB 3.47Å; N567-K569 PolarHBondContact OD1-N 2.87Å; N567-K569 VanDerWaalsContact OD1-N 3.12Å; N567-V570 HydrophobicContact CB-CG2 4.48Å; N567-V570 PolarHBondContact O-N 3.34Å; N567-V570 VanDerWaalsContact O-N 3.15Å
568	D	61.4	Low	57.8	Low	90 Å²	90	69.1 Å²	69.1	48%	0.481	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	-14.6	179.2	-62.9	-10.1	0	0	0	114.1	K395	K395-D568 WeakPolarHBondContact CE-OD1 3.16Å; K395-D568 IonicContact NZ-OD1 3.91Å; K395-D568 PolarHBondContact NZ-OD1 3.12Å; K395-D568 IonicContact NZ-OD2 2.84Å
569	K	62.2	Low	56.1	Low	198 Å²	198	79.6 Å²	79.6	86%	0.861	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	-14.1	-178.4	-60	-178.5	-179.7	176.5	0	113.3	N567	N567-K569 PolarHBondContact O-N 2.98Å; N567-K569 WeakPolarHBondContact OD1-CB 3.47Å; N567-K569 PolarHBondContact OD1-N 2.87Å; N567-K569 VanDerWaalsContact OD1-N 3.12Å
570	V	64.4	Low	54.9	Low	60 Å²	60	81 Å²	81	36%	0.364	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	106.9	-177.7	-175.7	0	0	0	0	109.5	T563 V564 N567	T563-V570 WeakPolarHBondContact CA-O 3.43Å; T563-V570 VanDerWaalsContact CB-O 3.27Å; T563-V570 WeakPolarHBondContact CB-O 3.5Å; V564-V570 HydrophobicContact CB-CB 4.38Å; V564-V570 HydrophobicContact CG2-CB 3.79Å; V564-V570 HydrophobicContact CG2-CG1 3.63Å; V564-V570 PolarHBondContact N-O 3.34Å; V564-V570 VanDerWaalsContact N-O 3.09Å; N567-V570 HydrophobicContact CB-CG2 4.48Å; N567-V570 PolarHBondContact O-N 3.34Å; N567-V570 VanDerWaalsContact O-N 3.15Å
571	R	57.6	Low	53.6	Low	211 Å²	211	81.8 Å²	81.8	80%	0.796	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	141.7	175.9	-72.4	-174.3	168.5	-173.5	-3.6	111.1
572	T	57.1	Low	52.6	Low	1 Å²	1	88.9 Å²	88.9	1%	0.006	43%	0.425	C	S	.	.			trans	-109.4	54.5	-178.5	64.9	0	0	0	0	110.4	T394 E560 S562 V564 W574	T394-T572 HydrophobicContact CG2-CG2 4.12Å; E560-T572 PolarHBondContact O-OG1 3.38Å; S562-T572 WeakPolarHBondContact CA-OG1 3.28Å; S562-T572 PolarHBondContact N-OG1 2.62Å; S562-T572 PolarHBondContact O-N 3.4Å; S562-T572 PolarHBondContact O-OG1 3.16Å; S562-T572 VanDerWaalsContact O-OG1 3.07Å; V564-T572 HydrophobicContact CG2-CG2 3.9Å; T572-W574 PolarHBondContact O-N 3.1Å
573	D	56.3	Low	51.5	Low	72 Å²	72	90.9 Å²	90.9	39%	0.385	44%	0.437	S	S	.	.			trans	-77.2	46.7	177.6	-160.1	8.8	0	0	0	111.2	D575 R576	D573-D575 PolarHBondContact O-N 3.34Å; D573-R576 PolarHBondContact O-N 3.46Å; D573-R576 VanDerWaalsContact O-N 3.14Å; D573-R576 VanDerWaalsContact OD2-CD 3.25Å; D573-R576 WeakPolarHBondContact OD2-CD 3.28Å; D573-R576 IonicContact OD2-CZ 3.88Å; D573-R576 IonicContact OD2-NE 3.87Å; D573-R576 PolarHBondContact OD2-NE 3.35Å; D573-R576 IonicContact OD2-NH1 3.34Å
574	W	58.3	Low	50.2	Low	74 Å²	74	97.8 Å²	97.8	28%	0.28	47%	0.467	S	S	.	.	H	α-helix	trans	-69.4	-17.6	-173.3	-57	125.6	0	0	0	112.5	T572 R576 E577 A578	T572-W574 PolarHBondContact O-N 3.1Å; W574-R576 PolarHBondContact O-N 3.03Å; W574-E577 VanDerWaalsContact CZ3-OE2 3.27Å; W574-E577 WeakPolarHBondContact CZ3-OE2 3.49Å; W574-E577 PolarHBondContact O-N 3.36Å; W574-A578 WeakPolarHBondContact O-CB 3.4Å; W574-A578 PolarHBondContact O-N 2.9Å
575	D	47.8	Very low	49	Very low	31 Å²	31	104.6 Å²	104.6	17%	0.166	50%	0.498	C	S	.	.	H	α-helix	trans	-56.8	-25.7	169.7	-78.4	5.5	0	0	0	112.2	T550 T561 D573	T550-D575 WeakPolarHBondContact CG2-OD1 3.27Å; T561-D575 HydrophobicContact CG2-CB 4Å; T561-D575 VanDerWaalsContact CG2-CG 3.45Å; T561-D575 WeakPolarHBondContact CG2-OD2 3.43Å; D573-D575 PolarHBondContact O-N 3.34Å
576	R	43.5	Very low	48.5	Very low	187 Å²	187	109.1 Å²	109.1	71%	0.706	52%	0.521	S	S	*	.	H	α-helix	trans	-89.7	-29.4	-179.4	-69.7	-172.9	178.5	175.9	-3.3	114.7	D573 W574	D573-R576 PolarHBondContact O-N 3.46Å; D573-R576 VanDerWaalsContact O-N 3.14Å; D573-R576 VanDerWaalsContact OD2-CD 3.25Å; D573-R576 WeakPolarHBondContact OD2-CD 3.28Å; D573-R576 IonicContact OD2-CZ 3.88Å; D573-R576 IonicContact OD2-NE 3.87Å; D573-R576 PolarHBondContact OD2-NE 3.35Å; D573-R576 IonicContact OD2-NH1 3.34Å; W574-R576 PolarHBondContact O-N 3.03Å
577	E	40.1	Very low	47.4	Very low	137 Å²	137	108.1 Å²	108.1	64%	0.64	52%	0.524	S	S	*	.	H	α-helix	trans	-84.5	-19.6	177.8	-71.5	-176.5	173.9	0	0	112.4	W574 R579 S580	W574-E577 VanDerWaalsContact CZ3-OE2 3.27Å; W574-E577 WeakPolarHBondContact CZ3-OE2 3.49Å; W574-E577 PolarHBondContact O-N 3.36Å; E577-R579 PolarHBondContact O-N 3.48Å; E577-S580 PolarHBondContact O-N 3.16Å
578	A	41.7	Very low	47	Very low	29 Å²	29	114 Å²	114	24%	0.24	55%	0.549	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	14.2	170.6	0	0	0	0	0	115.6	W574 S580 T583	W574-A578 WeakPolarHBondContact O-CB 3.4Å; W574-A578 PolarHBondContact O-N 2.9Å; A578-S580 PolarHBondContact O-N 2.97Å; A578-T583 HydrophobicContact CB-CG2 4.15Å; A578-T583 WeakPolarHBondContact CB-OG1 3.25Å; A578-T583 PolarHBondContact O-OG1 3.39Å
579	R	38.4	Very low	46.8	Very low	237 Å²	237	113.3 Å²	113.3	89%	0.894	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-6.2	158.9	-73.4	-173.9	176.9	-177.6	0.1	112.6	E577	E577-R579 PolarHBondContact O-N 3.48Å
580	S	35.9	Very low	46	Very low	77 Å²	77	105.9 Å²	105.9	54%	0.538	52%	0.518	S	S	.	.	S	Bend	trans	-71.2	124.2	164.4	88.6	0	0	0	0	108.9	E577 A578 K582	E577-S580 PolarHBondContact O-N 3.16Å; A578-S580 PolarHBondContact O-N 2.97Å; S580-K582 PolarHBondContact O-N 3.41Å
581	G	34.8	Very low	45.6	Very low	55 Å²	55	113.6 Å²	113.6	57%	0.567	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	12.2	-164.1	0	0	0	0	0	119.7
582	K	35	Very low	45.5	Very low	176 Å²	176	111.1 Å²	111.1	77%	0.765	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-18.6	175	-76.5	-173.6	173.3	-175	0	114.5	S580	S580-K582 PolarHBondContact O-N 3.41Å
583	T	36.9	Very low	45.7	Very low	54 Å²	54	111.1 Å²	111.1	33%	0.331	54%	0.538	S	S	.	.	S	Bend	trans	-93.7	-17.8	-175.6	-21.9	0	0	0	0	113.2	A578	A578-T583 HydrophobicContact CB-CG2 4.15Å; A578-T583 WeakPolarHBondContact CB-OG1 3.25Å; A578-T583 PolarHBondContact O-OG1 3.39Å
584	Q	35.1	Very low	46.2	Very low	173 Å²	173	112.4 Å²	112.4	81%	0.808	54%	0.541	S	S	*	.	S	Bend	trans	-89.3	-22.7	-179.6	-91.6	-175.2	-22.4	0	0	114.4	Q586	Q584-Q586 PolarHBondContact O-N 2.96Å
585	E	39.6	Very low	46.9	Very low	155 Å²	155	109.5 Å²	109.5	72%	0.724	53%	0.531	S	S	*	.			trans	-92.5	100.9	172.8	-76.3	177.7	170	0	0	108.2	A587	E585-A587 PolarHBondContact O-N 3.18Å
586	Q	46.4	Very low	48	Very low	127 Å²	127	112.5 Å²	112.5	59%	0.593	55%	0.551	S	S	*	*			trans	-52.7	103	144.7	-152.1	176.7	18.5	0	0	103.7	Q584 E588	Q584-Q586 PolarHBondContact O-N 2.96Å; Q586-E588 PolarHBondContact O-N 2.81Å
587	A	41.7	Very low	49.5	Very low	62 Å²	62	107.7 Å²	107.7	51%	0.512	54%	0.54	S	S	.	.			trans	-51.5	111.6	180	0	0	0	0	0	105.9	V462 E585 I589	V462-A587 HydrophobicContact CG1-CB 4.39Å; E585-A587 PolarHBondContact O-N 3.18Å; A587-I589 PolarHBondContact O-N 3.07Å
588	E	52.8	Low	51.2	Low	187 Å²	187	101.5 Å²	101.5	87%	0.874	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-55.2	120.2	-175.6	-76.2	-173.3	161	0	0	106	Q586 S590	Q586-E588 PolarHBondContact O-N 2.81Å; E588-S590 PolarHBondContact O-N 3.19Å
589	I	56.5	Low	52.7	Low	76 Å²	76	104.2 Å²	104.2	39%	0.39	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-50.7	121.7	178.6	-64.1	172.4	0	0	0	106.1	A587 A593 Q594	A587-I589 PolarHBondContact O-N 3.07Å; I589-A593 HydrophobicContact CG2-CB 3.64Å; I589-Q594 HydrophobicContact CG2-CG 4.47Å
590	S	46.1	Very low	54.4	Low	42 Å²	42	95.5 Å²	95.5	29%	0.294	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-56.3	152.1	-176.1	70.8	0	0	0	0	109.6	V462 E588 E592 A593 Q594	V462-S590 WeakPolarHBondContact O-CB 3.06Å; V462-S590 PolarHBondContact O-OG 2.85Å; E588-S590 PolarHBondContact O-N 3.19Å; S590-E592 PolarHBondContact O-N 3.44Å; S590-A593 PolarHBondContact O-N 3.37Å; S590-A593 VanDerWaalsContact OG-CB 3.28Å; S590-A593 WeakPolarHBondContact OG-CB 3.3Å; S590-A593 PolarHBondContact OG-N 3.43Å; S590-A593 VanDerWaalsContact OG-N 3.15Å; S590-Q594 PolarHBondContact O-N 3.4Å
591	R	56.3	Low	56	Low	223 Å²	223	92.2 Å²	92.2	84%	0.842	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-30.9	176.7	-72.2	-175.7	179.4	-177.6	-0.2	112.1
592	E	54.3	Low	57.7	Low	159 Å²	159	94.5 Å²	94.5	74%	0.743	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-30	179.3	-64.9	-178.9	179.5	0	0	112.5	K465 S590	K465-E592 WeakPolarHBondContact CE-O 3.15Å; K465-E592 WeakPolarHBondContact CG-O 3.48Å; S590-E592 PolarHBondContact O-N 3.44Å
593	A	61.9	Low	59.4	Low	0 Å²	0	86.7 Å²	86.7	0%	0	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.5	178.6	0	0	0	0	0	114.8	R459 V462 I589 S590 N595	R459-A593 PolarHBondContact NH2-O 2.76Å; V462-A593 VanDerWaalsContact C-CB 3.5Å; V462-A593 WeakPolarHBondContact O-CB 3.33Å; I589-A593 HydrophobicContact CG2-CB 3.64Å; S590-A593 PolarHBondContact O-N 3.37Å; S590-A593 VanDerWaalsContact OG-CB 3.28Å; S590-A593 WeakPolarHBondContact OG-CB 3.3Å; S590-A593 PolarHBondContact OG-N 3.43Å; S590-A593 VanDerWaalsContact OG-N 3.15Å; A593-N595 PolarHBondContact O-N 3.05Å; A593-N595 PolarHBondContact O-OD1 3.27Å
594	Q	67.9	Low	60.4	Low	99 Å²	99	84.2 Å²	84.2	46%	0.463	42%	0.423	S	S	.	.	S	Bend	trans	-68	126.8	174.6	-68.7	-174.9	-11.4	0	0	111.2	K465 I589 S590 T596	K465-Q594 WeakPolarHBondContact CD-O 3.35Å; K465-Q594 WeakPolarHBondContact CE-O 3.21Å; K465-Q594 WeakPolarHBondContact CG-O 3.33Å; K465-Q594 PolarHBondContact NZ-O 2.59Å; I589-Q594 HydrophobicContact CG2-CG 4.47Å; S590-Q594 PolarHBondContact O-N 3.4Å; Q594-T596 HydrophobicContact CB-CG2 4.08Å; Q594-T596 PolarHBondContact O-N 2.88Å
595	N	72.2	Confident	61.5	Low	13 Å²	13	78.6 Å²	78.6	7%	0.07	40%	0.403	C	S	.	.			trans	-74	63.9	179.8	-63.8	-14.2	0	0	0	111.4	R459 E466 E540 A593 D597 V598	R459-N595 VanDerWaalsContact NH1-CG 3.32Å; R459-N595 PolarHBondContact NH1-ND2 2.8Å; R459-N595 PolarHBondContact NH1-OD1 3.17Å; E466-N595 PolarHBondContact N-OD1 3.48Å; E466-N595 PolarHBondContact OE2-ND2 3.44Å; E540-N595 HydrophobicContact CG-CB 4.02Å; E540-N595 PolarHBondContact OE2-ND2 3.1Å; A593-N595 PolarHBondContact O-N 3.05Å; A593-N595 PolarHBondContact O-OD1 3.27Å; N595-D597 VanDerWaalsContact C-N 3.25Å; N595-D597 PolarHBondContact O-N 3.14Å; N595-V598 HydrophobicContact CB-CG2 3.76Å
596	T	71.1	Confident	62.2	Low	95 Å²	95	71.8 Å²	71.8	58%	0.583	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-15	-174.7	58.2	0	0	0	0	114.3	K465 Q594	K465-T596 PolarHBondContact NZ-OG1 2.92Å; Q594-T596 HydrophobicContact CB-CG2 4.08Å; Q594-T596 PolarHBondContact O-N 2.88Å
597	D	74.9	Confident	62.5	Low	86 Å²	86	66 Å²	66	46%	0.46	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-2.8	-175.7	56.3	-46.4	0	0	0	113.5	N595 L599	N595-D597 VanDerWaalsContact C-N 3.25Å; N595-D597 PolarHBondContact O-N 3.14Å; D597-L599 PolarHBondContact O-N 2.96Å
598	V	74.9	Confident	62.9	Low	6 Å²	6	68.3 Å²	68.3	4%	0.036	34%	0.342	C	S	.	.	S	Bend	trans	-70.3	127.7	177.4	176.3	0	0	0	0	109.9	A468 V476 E540 N595 H600	A468-V598 HydrophobicContact CB-CG2 3.9Å; V476-V598 HydrophobicContact CG1-CG2 3.42Å; V476-V598 VanDerWaalsContact CG1-CG2 3.42Å; E540-V598 HydrophobicContact CB-CG1 4.4Å; E540-V598 HydrophobicContact CG-CG1 4.36Å; E540-V598 HydrophobicContact CG-CG2 4.12Å; N595-V598 HydrophobicContact CB-CG2 3.76Å; V598-H600 PolarHBondContact O-CD2 2.94Å; V598-H600 PolarHBondContact O-N 3.42Å; V598-H600 PolarHBondContact O-NE2 2.94Å
599	L	73.5	Confident	62.4	Low	86 Å²	86	62.8 Å²	62.8	45%	0.45	32%	0.318	S	S	.	.			trans	-63	130.5	171.3	-65.3	176	0	0	0	108.7	H473 N474 D597	H473-L599 CarbonylContact C-O 3.55Å; H473-L599 VanDerWaalsContact CA-O 3.3Å; H473-L599 WeakPolarHBondContact CA-O 3.49Å; H473-L599 HydrophobicContact CB-CB 4.43Å; H473-L599 VanDerWaalsContact CD2-CB 3.45Å; H473-L599 WeakPolarHBondContact CD2-CB 3.46Å; N474-L599 PolarHBondContact N-O 3.42Å; D597-L599 PolarHBondContact O-N 2.96Å
600	H	73.9	Confident	61.7	Low	54 Å²	54	59.7 Å²	59.7	25%	0.25	30%	0.302	C	S	.	.			trans	-111.3	135.4	-178	-68.8	-54.6	0	0	0	111.1	N474 V598 D604 R608	N474-H600 PolarHBondContact ND2-ND1 3.02Å; N474-H600 VanDerWaalsContact ND2-ND1 3.18Å; V598-H600 PolarHBondContact O-CD2 2.94Å; V598-H600 PolarHBondContact O-N 3.42Å; V598-H600 PolarHBondContact O-NE2 2.94Å; H600-D604 HydrophobicContact CB-CB 4.23Å; H600-R608 PolarHBondContact CD2-NH1 3.17Å; H600-R608 PolarHBondContact CE1-NH2 3.34Å; H600-R608 VanDerWaalsContact NE2-CZ 3.31Å; H600-R608 PolarHBondContact NE2-NH1 2.96Å; H600-R608 PolarHBondContact NE2-NH2 3.03Å
601	S	70.9	Confident	60.8	Low	8 Å²	8	64.4 Å²	64.4	6%	0.056	32%	0.323	C	S	.	.			trans	-67.9	158.2	175.1	79	0	0	0	0	111.5	N474 L603 D604 S605	N474-S601 WeakPolarHBondContact OD1-CB 3.43Å; N474-S601 PolarHBondContact OD1-N 3.03Å; S601-L603 PolarHBondContact O-N 3.28Å; S601-L603 VanDerWaalsContact O-N 3.1Å; S601-L603 PolarHBondContact OG-N 3.42Å; S601-D604 WeakPolarHBondContact CB-OD2 3.25Å; S601-D604 PolarHBondContact N-OD2 3.23Å; S601-D604 WeakPolarHBondContact O-CB 3.42Å; S601-D604 PolarHBondContact O-N 3.42Å; S601-D604 PolarHBondContact OG-N 3.24Å; S601-D604 PolarHBondContact OG-OD2 3.02Å; S601-S605 PolarHBondContact O-N 3.13Å
602	P	69.6	Low	61.1	Low	103 Å²	103	56.5 Å²	56.5	67%	0.669	30%	0.297	S	S	*	.	H	α-helix	trans	-58.7	-20.3	172.6	-24.9	34.6	0	0	0	114.5	D604 S605 T606	P602-D604 VanDerWaalsContact C-N 3.34Å; P602-S605 PolarHBondContact O-OG 3.42Å; P602-T606 PolarHBondContact O-N 3.41Å; P602-T606 PolarHBondContact O-OG1 2.91Å
603	L	70	Confident	61.4	Low	12 Å²	12	51.1 Å²	51.1	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-74.1	-28.7	174.8	-64.6	176	0	0	0	111.7	R434 R435 N438 S601 A607	R434-L603 HydrophobicContact CB-CD1 3.81Å; R435-L603 HydrophobicContact CG-CB 3.99Å; R435-L603 HydrophobicContact CG-CD1 4.01Å; N438-L603 WeakPolarHBondContact ND2-CD1 3.42Å; S601-L603 PolarHBondContact O-N 3.28Å; S601-L603 VanDerWaalsContact O-N 3.1Å; S601-L603 PolarHBondContact OG-N 3.42Å; L603-A607 WeakPolarHBondContact O-CB 3.35Å; L603-A607 PolarHBondContact O-N 3.13Å
604	D	59.7	Low	61.4	Low	2 Å²	2	53.9 Å²	53.9	1%	0.011	29%	0.289	C	S	.	.	H	α-helix	trans	-79.8	-32.7	178.9	-60.9	-69.2	0	0	0	112.9	R435 N474 H600 S601 P602 T606 A607 R608	R435-D604 IonicContact CZ-OD1 2.8Å; R435-D604 IonicContact NE-OD1 3.4Å; R435-D604 PolarHBondContact NE-OD1 3.02Å; R435-D604 IonicContact NH2-OD1 3.04Å; R435-D604 PolarHBondContact NH2-OD1 3.08Å; N474-D604 PolarHBondContact ND2-OD2 2.77Å; N474-D604 PolarHBondContact OD1-OD2 3.27Å; H600-D604 HydrophobicContact CB-CB 4.23Å; S601-D604 WeakPolarHBondContact CB-OD2 3.25Å; S601-D604 PolarHBondContact N-OD2 3.23Å; S601-D604 WeakPolarHBondContact O-CB 3.42Å; S601-D604 PolarHBondContact O-N 3.42Å; S601-D604 PolarHBondContact OG-N 3.24Å; S601-D604 PolarHBondContact OG-OD2 3.02Å; P602-D604 VanDerWaalsContact C-N 3.34Å; D604-T606 VanDerWaalsContact C-N 3.3Å; D604-A607 PolarHBondContact O-N 3.2Å; D604-R608 VanDerWaalsContact O-CB 3.28Å; D604-R608 WeakPolarHBondContact O-CB 3.14Å; D604-R608 WeakPolarHBondContact O-CG 3.48Å; D604-R608 PolarHBondContact O-N 3.38Å
605	S	56.6	Low	61	Low	55 Å²	55	51.2 Å²	51.2	39%	0.385	28%	0.279	S	S	.	.	H	α-helix	trans	-59.7	-48.1	169.5	52.2	0	0	0	0	109.3	S601 P602 A607 R608 D609	S601-S605 PolarHBondContact O-N 3.13Å; P602-S605 PolarHBondContact O-OG 3.42Å; S605-A607 VanDerWaalsContact C-N 3.32Å; S605-A607 PolarHBondContact O-N 3.35Å; S605-R608 PolarHBondContact O-N 3.34Å; S605-D609 WeakPolarHBondContact O-CB 3.34Å; S605-D609 PolarHBondContact O-N 2.52Å
606	T	55.5	Low	60.3	Low	12 Å²	12	53.6 Å²	53.6	7%	0.074	29%	0.292	C	S	.	.	H	α-helix	trans	-56.4	-44.5	174.5	-50.6	0	0	0	0	111.8	L283 N287 F431 P602 D604 E610	L283-T606 HydrophobicContact CD2-CG2 4.18Å; N287-T606 VanDerWaalsContact ND2-CG2 3.33Å; N287-T606 WeakPolarHBondContact ND2-CG2 3.31Å; F431-T606 HydrophobicContact CE2-CG2 3.81Å; F431-T606 HydrophobicContact CZ-CG2 3.81Å; P602-T606 PolarHBondContact O-N 3.41Å; P602-T606 PolarHBondContact O-OG1 2.91Å; D604-T606 VanDerWaalsContact C-N 3.3Å; T606-E610 PolarHBondContact O-N 2.86Å
607	A	52.6	Low	59.6	Low	6 Å²	6	50.9 Å²	50.9	5%	0.05	27%	0.272	C	S	.	.	H	α-helix	trans	-70.6	-31.9	179.5	0	0	0	0	0	114.9	R183 V430 F431 L603 D604 S605	R183-A607 PolarHBondContact NH1-O 2.89Å; R183-A607 PolarHBondContact NH2-O 2.64Å; V430-A607 HydrophobicContact CG1-CB 3.43Å; V430-A607 VanDerWaalsContact CG1-CB 3.43Å; F431-A607 HydrophobicContact CD2-CB 4.27Å; F431-A607 HydrophobicContact CE2-CB 4.4Å; L603-A607 WeakPolarHBondContact O-CB 3.35Å; L603-A607 PolarHBondContact O-N 3.13Å; D604-A607 PolarHBondContact O-N 3.2Å; S605-A607 VanDerWaalsContact C-N 3.32Å; S605-A607 PolarHBondContact O-N 3.35Å
608	R	49.7	Very low	58.5	Low	111 Å²	111	48.4 Å²	48.4	42%	0.419	26%	0.259	S	S	.	.	H	α-helix	trans	-79.6	-31.7	176.8	-79	-178.9	173.4	175.1	1.8	112.2	H600 D604 S605 E610 L611	H600-R608 PolarHBondContact CD2-NH1 3.17Å; H600-R608 PolarHBondContact CE1-NH2 3.34Å; H600-R608 VanDerWaalsContact NE2-CZ 3.31Å; H600-R608 PolarHBondContact NE2-NH1 2.96Å; H600-R608 PolarHBondContact NE2-NH2 3.03Å; D604-R608 VanDerWaalsContact O-CB 3.28Å; D604-R608 WeakPolarHBondContact O-CB 3.14Å; D604-R608 WeakPolarHBondContact O-CG 3.48Å; D604-R608 PolarHBondContact O-N 3.38Å; S605-R608 PolarHBondContact O-N 3.34Å; R608-E610 PolarHBondContact O-N 3.05Å; R608-L611 WeakPolarHBondContact O-CB 3.09Å; R608-L611 PolarHBondContact O-N 3.25Å; R608-L611 VanDerWaalsContact O-N 3.14Å
609	D	42.5	Very low	57.2	Low	71 Å²	71	51.6 Å²	51.6	38%	0.38	28%	0.276	S	S	.	.	H	α-helix	trans	-72.2	-13.9	177.8	-70.1	-39.6	0	0	0	112.5	R284 S605	R284-D609 IonicContact CZ-OD1 3.05Å; R284-D609 IonicContact CZ-OD2 2.76Å; R284-D609 IonicContact NE-OD2 2.91Å; R284-D609 VanDerWaalsContact NH1-CG 3.26Å; R284-D609 IonicContact NH1-OD1 3.97Å; R284-D609 IonicContact NH1-OD2 3.17Å; R284-D609 PolarHBondContact NH1-OD2 2.67Å; R284-D609 VanDerWaalsContact NH2-CB 3.28Å; R284-D609 IonicContact NH2-OD1 3.27Å; R284-D609 PolarHBondContact NH2-OD1 3.45Å; R284-D609 IonicContact NH2-OD2 2.67Å; R284-D609 PolarHBondContact NH2-OD2 3.2Å; S605-D609 WeakPolarHBondContact O-CB 3.34Å; S605-D609 PolarHBondContact O-N 2.52Å
610	E	41	Very low	55.9	Low	11 Å²	11	48.8 Å²	48.8	5%	0.051	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.5	169	-72.2	-177.4	174.4	0	0	114.3	R183 V281 L283 S295 T606 R608	R183-E610 IonicContact CZ-OE2 2.69Å; R183-E610 IonicContact NH1-OE2 3.85Å; R183-E610 PolarHBondContact NH1-OE2 3.38Å; V281-E610 HydrophobicContact CB-CB 4.17Å; V281-E610 HydrophobicContact CB-CG 4.04Å; V281-E610 HydrophobicContact CG1-CB 3.91Å; V281-E610 HydrophobicContact CG1-CG 3.93Å; L283-E610 HydrophobicContact CD2-CG 4.47Å; L283-E610 VanDerWaalsContact CD2-OE1 3.24Å; L283-E610 WeakPolarHBondContact CD2-OE1 3.41Å; S295-E610 PolarHBondContact OG-OE1 3.43Å; T606-E610 PolarHBondContact O-N 2.86Å; R608-E610 PolarHBondContact O-N 3.05Å
611	L	28.6	Very low	54.2	Low	140 Å²	140	48.3 Å²	48.3	73%	0.733	26%	0.263	S	S	*	.			trans	-95	0	-178.2	-69.9	170.4	0	0	0	112.1	R608	R608-L611 WeakPolarHBondContact O-CB 3.09Å; R608-L611 PolarHBondContact O-N 3.25Å; R608-L611 VanDerWaalsContact O-N 3.14Å

Retrieved 611 of 611 residues in 396.3 ms (Link to these results)

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