A0A087X7H6_POEFO Loading...

Kelch repeat and BTB domain containing 3

AlphaFold DB , UniProt , Accession A0A087X7H6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 614 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	T	29	Very low	32.3	Very low	181 Å²	181	161.3 Å²	161.3	100%	1.11	80%	0.803	S	S	*	*				0	97.9	0	27.3	0	0	0	0	107.5	T3	T1-T3 PolarHBondContact O-N 3.45Å
2	H	29.6	Very low	32.4	Very low	167 Å²	167	157.8 Å²	157.8	77%	0.773	79%	0.789	S	S	*	*			trans	-84	110.4	-174.6	-74.8	77.1	0	0	0	109	F4	H2-F4 PolarHBondContact O-N 3.48Å
3	T	26.9	Very low	32.8	Very low	141 Å²	141	158.5 Å²	158.5	87%	0.865	79%	0.788	S	S	*	*			trans	-87.1	107.7	174.9	-17.3	0	0	0	0	108.3	T1 K5	T1-T3 PolarHBondContact O-N 3.45Å; T3-K5 PolarHBondContact O-N 3.12Å
4	F	31.1	Very low	33	Very low	167 Å²	167	158.9 Å²	158.9	73%	0.732	78%	0.783	S	S	*	*			trans	-68.6	117.3	176.4	-62.2	-92	0	0	0	109.9	H2	H2-F4 PolarHBondContact O-N 3.48Å
5	K	31.8	Very low	33.2	Very low	204 Å²	204	158.9 Å²	158.9	89%	0.887	79%	0.786	S	S	*	*			trans	-90.5	105.5	166.6	-109.4	-177.5	177.7	179.2	0	108.7	T3	T3-K5 PolarHBondContact O-N 3.12Å
6	I	32.9	Very low	33.9	Very low	141 Å²	141	160.9 Å²	160.9	72%	0.723	79%	0.789	S	S	*	*			trans	-93.2	109.9	174.7	-58.8	172.5	0	0	0	107.8
7	T	34.7	Very low	34	Very low	99 Å²	99	158.5 Å²	158.5	61%	0.607	79%	0.79	S	S	*	*			trans	-102.7	106.8	170.9	-37.7	0	0	0	0	108.8	Y9	T7-Y9 HydrophobicContact CG2-CD2 4.3Å; T7-Y9 HydrophobicContact CG2-CE2 3.67Å
8	K	32.7	Very low	34.3	Very low	189 Å²	189	158.6 Å²	158.6	82%	0.822	79%	0.794	S	S	*	*			trans	-84.6	118.5	171.3	-90.9	-178.8	175.4	175.4	0	109.2
9	Y	37.3	Very low	35.1	Very low	191 Å²	191	154.7 Å²	154.7	75%	0.749	80%	0.799	S	S	*	*			trans	-97.1	125.1	164	-71.9	-85.7	0	0	0	109.4	T7	T7-Y9 HydrophobicContact CG2-CD2 4.3Å; T7-Y9 HydrophobicContact CG2-CE2 3.67Å
10	S	32.4	Very low	35.5	Very low	104 Å²	104	151.8 Å²	151.8	73%	0.727	80%	0.798	S	S	*	*			trans	-101.1	101.3	168.7	-176.5	0	0	0	0	108	N12	S10-N12 PolarHBondContact O-N 2.96Å
11	F	36.3	Very low	35.7	Very low	190 Å²	190	154 Å²	154	83%	0.833	80%	0.804	S	S	*	*			trans	-77.2	105.9	168.7	-92.2	-89.4	0	0	0	109.1	H13	F11-H13 PolarHBondContact O-N 3.23Å
12	N	34.6	Very low	36.4	Very low	120 Å²	120	152.7 Å²	152.7	64%	0.642	79%	0.786	S	S	*	*			trans	-89.2	82	167.2	-85.3	-11.9	0	0	0	109.1	S10 F14	S10-N12 PolarHBondContact O-N 2.96Å; N12-F14 HydrophobicContact CB-CD2 4.18Å; N12-F14 HydrophobicContact CB-CE2 3.86Å; N12-F14 PolarHBondContact O-N 3.13Å
13	H	37.2	Very low	37.2	Very low	166 Å²	166	155.8 Å²	155.8	77%	0.769	79%	0.791	S	S	*	*			trans	-88.1	101.3	161.3	-142.5	-33.6	0	0	0	108	F11 L15	F11-H13 PolarHBondContact O-N 3.23Å; H13-L15 PolarHBondContact O-N 3.04Å
14	F	36.1	Very low	38.2	Very low	164 Å²	164	158.3 Å²	158.3	72%	0.719	78%	0.784	S	S	*	*			trans	-80.8	98.1	173.8	-77.1	-81.3	0	0	0	109.8	N12	N12-F14 HydrophobicContact CB-CD2 4.18Å; N12-F14 HydrophobicContact CB-CE2 3.86Å; N12-F14 PolarHBondContact O-N 3.13Å
15	L	35.5	Very low	39.1	Very low	160 Å²	160	157 Å²	157	84%	0.838	79%	0.79	S	S	*	*			trans	-100	105.7	153.8	-100.5	144.5	0	0	0	107	H13 C17	H13-L15 PolarHBondContact O-N 3.04Å; L15-C17 PolarHBondContact O-N 3.37Å
16	K	43.4	Very low	40	Very low	191 Å²	191	155.5 Å²	155.5	83%	0.83	79%	0.786	S	S	*	*			trans	-78.1	112.4	171.2	-88.3	-176.7	176.5	176.4	0	108.6
17	C	35.8	Very low	40.7	Very low	119 Å²	119	155.8 Å²	155.8	80%	0.804	79%	0.788	S	S	*	*			trans	-161.7	120.9	134.9	-95.8	0	0	0	0	110.6	L15	L15-C17 PolarHBondContact O-N 3.37Å
18	N	40.6	Very low	41.2	Very low	160 Å²	160	162.3 Å²	162.3	86%	0.856	80%	0.802	S	S	*	*	S	Bend	trans	51.2	90.1	156.5	-60.4	-10.7	0	0	0	119.5
19	G	49.8	Very low	42.5	Very low	86 Å²	86	158 Å²	158	89%	0.887	79%	0.792	S	S	*	*	S	Bend		82.5	46.5	118.2	0	0	0	0	0	119
20	A	41.7	Very low	43.3	Very low	96 Å²	96	153.3 Å²	153.3	79%	0.793	79%	0.792	S	S	*	*			trans	-171.8	115.3	143.6	0	0	0	0	0	109.1	E22	A20-E22 PolarHBondContact O-N 3.48Å; A20-E22 VanDerWaalsContact O-N 3.12Å
21	Q	40.6	Very low	44.5	Very low	198 Å²	198	154.3 Å²	154.3	93%	0.925	79%	0.785	S	S	*	*			trans	-77	93	174.1	-92.2	-179.9	-26.6	0	0	110	R23	Q21-R23 PolarHBondContact O-N 2.87Å
22	E	44.3	Very low	46.3	Very low	153 Å²	153	148.5 Å²	148.5	72%	0.715	77%	0.768	S	S	*	*			trans	-73	103.7	158.5	-93.9	-169	171	0	0	109	A20 R24	A20-E22 PolarHBondContact O-N 3.48Å; A20-E22 VanDerWaalsContact O-N 3.12Å; E22-R24 VanDerWaalsContact C-N 3.33Å; E22-R24 PolarHBondContact O-N 3.39Å; E22-R24 IonicContact OE2-NE 3.98Å
23	R	45.5	Very low	48.4	Very low	233 Å²	233	149.3 Å²	149.3	88%	0.879	77%	0.768	S	S	*	*			trans	-67	92.6	163.8	-93.8	-176.5	174.8	175	0.1	108.7	Q21 T25	Q21-R23 PolarHBondContact O-N 2.87Å; R23-T25 PolarHBondContact O-N 3.14Å; R23-T25 VanDerWaalsContact O-N 3.13Å
24	R	47.4	Very low	50.5	Low	194 Å²	194	144 Å²	144	73%	0.732	76%	0.758	S	S	*	*			trans	-76.5	93.1	162.6	-76.8	-175.7	178.7	-173.2	-2.5	109	E22 Q26	E22-R24 VanDerWaalsContact C-N 3.33Å; E22-R24 PolarHBondContact O-N 3.39Å; E22-R24 IonicContact OE2-NE 3.98Å; R24-Q26 PolarHBondContact O-N 3.01Å
25	T	50.2	Low	52.7	Low	140 Å²	140	142.4 Å²	142.4	86%	0.859	76%	0.756	S	S	*	*			trans	-69.7	94.6	166.8	-2.9	0	0	0	0	108.5	R23	R23-T25 PolarHBondContact O-N 3.14Å; R23-T25 VanDerWaalsContact O-N 3.13Å
26	Q	50.1	Low	55.1	Low	171 Å²	171	140 Å²	140	80%	0.799	74%	0.741	S	S	*	*			trans	-89	116.2	170.6	-66.9	-174	-7.6	0	0	108.6	R24	R24-Q26 PolarHBondContact O-N 3.01Å
27	L	48.7	Very low	57.2	Low	147 Å²	147	136 Å²	136	77%	0.77	73%	0.728	S	S	*	*			trans	-105.3	112.9	174.2	-165.9	98.4	0	0	0	107.8	V29	L27-V29 HydrophobicContact CD2-CG2 3.82Å
28	R	46.1	Very low	59.8	Low	236 Å²	236	132.5 Å²	132.5	89%	0.891	70%	0.701	S	S	*	*			trans	-95	109.1	173.3	-165.7	175.5	-179.4	-177.9	-0.6	107.9	A30	R28-A30 PolarHBondContact O-N 3.15Å
29	V	59.2	Low	62.1	Low	100 Å²	100	127.7 Å²	127.7	61%	0.606	68%	0.683	S	S	*	*			trans	-82.8	110.9	171.5	-178.4	0	0	0	0	107	L27 E31	L27-V29 HydrophobicContact CD2-CG2 3.82Å; V29-E31 HydrophobicContact CG1-CB 4.47Å; V29-E31 HydrophobicContact CG1-CG 3.77Å
30	A	53.2	Low	64.1	Low	92 Å²	92	127 Å²	127	76%	0.76	66%	0.662	S	S	*	*			trans	-113	78.7	169.8	0	0	0	0	0	107.2	R28	R28-A30 PolarHBondContact O-N 3.15Å
31	E	58.5	Low	66.5	Low	124 Å²	124	124 Å²	124	58%	0.579	63%	0.633	S	S	*	*			trans	-76.6	160	170.4	-79.8	178.8	173.5	0	0	109.8	V29 Q33	V29-E31 HydrophobicContact CG1-CB 4.47Å; V29-E31 HydrophobicContact CG1-CG 3.77Å; E31-Q33 PolarHBondContact O-N 2.74Å
32	S	73	Confident	69	Low	68 Å²	68	120.2 Å²	120.2	48%	0.476	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66	32.6	170.7	55.9	0	0	0	0	113	G34 L35 Q36	S32-G34 PolarHBondContact O-N 3.33Å; S32-L35 PolarHBondContact O-N 2.97Å; S32-Q36 PolarHBondContact O-N 3.19Å; S32-Q36 VanDerWaalsContact O-N 3.09Å
33	Q	79.6	Confident	71.3	Confident	138 Å²	138	114.9 Å²	114.9	65%	0.645	59%	0.59	S	S	*	*	H	α-helix	trans	-58.5	-36.2	-177.2	-173.3	179.6	2.6	0	0	111.4	E31 Q36 L37	E31-Q33 PolarHBondContact O-N 2.74Å; Q33-Q36 PolarHBondContact O-N 3.3Å; Q33-L37 WeakPolarHBondContact O-CB 3.38Å; Q33-L37 PolarHBondContact O-N 3.09Å
34	G	81.6	Confident	73.6	Confident	54 Å²	54	106.5 Å²	106.5	56%	0.557	56%	0.56	S	S	*	*	H	α-helix	trans	-61.5	-46.4	175.7	0	0	0	0	0	113.1	S32 Q36 L37 L38	S32-G34 PolarHBondContact O-N 3.33Å; G34-Q36 PolarHBondContact O-N 3.46Å; G34-L37 PolarHBondContact O-N 2.99Å; G34-L38 WeakPolarHBondContact O-CB 3.4Å; G34-L38 PolarHBondContact O-N 3.36Å
35	L	82.5	Confident	75.8	Confident	130 Å²	130	99.7 Å²	99.7	68%	0.681	53%	0.534	S	S	*	.	H	α-helix	trans	-66.2	-38	177.3	-68.7	171.5	0	0	0	111.9	S32 L38 A39	S32-L35 PolarHBondContact O-N 2.97Å; L35-L38 PolarHBondContact O-N 3.03Å; L35-A39 WeakPolarHBondContact O-CB 3.34Å; L35-A39 PolarHBondContact O-N 3.5Å
36	Q	84.9	Confident	77.8	Confident	110 Å²	110	99.4 Å²	99.4	51%	0.514	52%	0.523	S	S	.	.	H	α-helix	trans	-66.3	-42.6	175.5	-71.9	177.6	-1.7	0	0	111.9	S32 Q33 G34 L38 A39 V40	S32-Q36 PolarHBondContact O-N 3.19Å; S32-Q36 VanDerWaalsContact O-N 3.09Å; Q33-Q36 PolarHBondContact O-N 3.3Å; G34-Q36 PolarHBondContact O-N 3.46Å; Q36-L38 VanDerWaalsContact C-N 3.35Å; Q36-A39 PolarHBondContact O-N 3.42Å; Q36-V40 WeakPolarHBondContact O-CG2 3.44Å; Q36-V40 PolarHBondContact O-N 3.49Å
37	L	89.1	Confident	79.8	Confident	107 Å²	107	99.5 Å²	99.5	56%	0.56	52%	0.516	S	S	*	.	H	α-helix	trans	-60.8	-45.7	175.8	-179.7	65.3	0	0	0	110.9	Q33 G34 A39 V40 L41	Q33-L37 WeakPolarHBondContact O-CB 3.38Å; Q33-L37 PolarHBondContact O-N 3.09Å; G34-L37 PolarHBondContact O-N 2.99Å; L37-A39 VanDerWaalsContact C-N 3.34Å; L37-A39 PolarHBondContact O-N 2.88Å; L37-V40 PolarHBondContact O-N 2.95Å; L37-L41 HydrophobicContact CG-CD1 4.11Å; L37-L41 WeakPolarHBondContact O-CG 3.31Å; L37-L41 PolarHBondContact O-N 3.19Å
38	L	89.9	Confident	81.9	Confident	45 Å²	45	94.6 Å²	94.6	24%	0.236	50%	0.501	C	S	.	.	H	α-helix	trans	-61.3	-42.6	177.4	-169.9	63.1	0	0	0	111.6	G34 L35 Q36 V40 L41 R42 Y110	G34-L38 WeakPolarHBondContact O-CB 3.4Å; G34-L38 PolarHBondContact O-N 3.36Å; L35-L38 PolarHBondContact O-N 3.03Å; Q36-L38 VanDerWaalsContact C-N 3.35Å; L38-V40 VanDerWaalsContact C-N 3.32Å; L38-V40 PolarHBondContact O-N 3.01Å; L38-L41 PolarHBondContact O-N 3.07Å; L38-R42 WeakPolarHBondContact O-CB 3.37Å; L38-R42 PolarHBondContact O-N 3.14Å; L38-Y110 WeakPolarHBondContact CD1-O 3.47Å; L38-Y110 WeakPolarHBondContact CG-O 3.41Å
39	A	88.1	Confident	84	Confident	59 Å²	59	86.4 Å²	86.4	49%	0.488	48%	0.475	S	S	.	.	H	α-helix	trans	-61.4	-37.8	175.2	0	0	0	0	0	112.9	L35 Q36 L37 S43	L35-A39 WeakPolarHBondContact O-CB 3.34Å; L35-A39 PolarHBondContact O-N 3.5Å; Q36-A39 PolarHBondContact O-N 3.42Å; L37-A39 VanDerWaalsContact C-N 3.34Å; L37-A39 PolarHBondContact O-N 2.88Å; A39-S43 PolarHBondContact O-N 3.25Å; A39-S43 VanDerWaalsContact O-N 3.07Å
40	V	91.3	Very high	85.6	Confident	72 Å²	72	87.6 Å²	87.6	44%	0.436	48%	0.477	S	S	.	.	H	α-helix	trans	-68	-44.5	174.9	172.7	0	0	0	0	111.2	Q36 L37 L38 R42 S43 F44	Q36-V40 WeakPolarHBondContact O-CG2 3.44Å; Q36-V40 PolarHBondContact O-N 3.49Å; L37-V40 PolarHBondContact O-N 2.95Å; L38-V40 VanDerWaalsContact C-N 3.32Å; L38-V40 PolarHBondContact O-N 3.01Å; V40-R42 VanDerWaalsContact C-N 3.31Å; V40-R42 PolarHBondContact O-N 3.15Å; V40-S43 WeakPolarHBondContact O-CB 3.39Å; V40-S43 PolarHBondContact O-N 3.13Å; V40-S43 VanDerWaalsContact O-N 3.13Å; V40-F44 HydrophobicContact CG1-CD2 4.47Å; V40-F44 HydrophobicContact CG1-CE1 3.96Å; V40-F44 HydrophobicContact CG1-CE2 3.83Å; V40-F44 HydrophobicContact CG1-CZ 3.54Å; V40-F44 PolarHBondContact O-N 3.39Å
41	L	92.7	Very high	87.5	Confident	34 Å²	34	86.6 Å²	86.6	18%	0.178	46%	0.455	C	S	.	.	H	α-helix	trans	-61.9	-39.2	177.1	-69.8	167.3	0	0	0	111.7	L37 L38 F44 R45 V68 Y110	L37-L41 HydrophobicContact CG-CD1 4.11Å; L37-L41 WeakPolarHBondContact O-CG 3.31Å; L37-L41 PolarHBondContact O-N 3.19Å; L38-L41 PolarHBondContact O-N 3.07Å; L41-F44 HydrophobicContact CD2-CD2 4.36Å; L41-F44 PolarHBondContact O-N 3.15Å; L41-R45 PolarHBondContact O-N 3.04Å; L41-R45 VanDerWaalsContact O-N 3.14Å; L41-V68 HydrophobicContact CD1-CG2 4.03Å; L41-V68 HydrophobicContact CD2-CG2 4.16Å; L41-V68 HydrophobicContact CG-CG2 4.48Å; L41-Y110 HydrophobicContact CB-CD1 4.21Å; L41-Y110 HydrophobicContact CB-CE1 4.44Å
42	R	92.2	Very high	89.1	Confident	117 Å²	117	84.3 Å²	84.3	44%	0.442	45%	0.447	S	S	.	.	H	α-helix	trans	-59.8	-45.6	171.7	-175.6	178	173.8	157.4	7.7	111.7	L38 V40 F44 R45 E46	L38-R42 WeakPolarHBondContact O-CB 3.37Å; L38-R42 PolarHBondContact O-N 3.14Å; V40-R42 VanDerWaalsContact C-N 3.31Å; V40-R42 PolarHBondContact O-N 3.15Å; R42-F44 VanDerWaalsContact C-N 3.29Å; R42-F44 PolarHBondContact O-N 2.95Å; R42-R45 PolarHBondContact O-N 3.25Å; R42-R45 VanDerWaalsContact O-N 3.15Å; R42-E46 WeakPolarHBondContact CG-OE1 3.47Å; R42-E46 IonicContact CZ-OE1 3.46Å; R42-E46 IonicContact NE-OE1 3.65Å; R42-E46 PolarHBondContact NE-OE1 3.03Å; R42-E46 IonicContact NH2-OE1 2.66Å; R42-E46 WeakPolarHBondContact O-CG 3.46Å; R42-E46 PolarHBondContact O-N 3.27Å
43	S	93.3	Very high	90.1	Very high	42 Å²	42	81.2 Å²	81.2	29%	0.294	43%	0.425	S	S	.	.	H	α-helix	trans	-61.2	-35.3	176.2	-177.1	0	0	0	0	112.9	A39 V40 R47	A39-S43 PolarHBondContact O-N 3.25Å; A39-S43 VanDerWaalsContact O-N 3.07Å; V40-S43 WeakPolarHBondContact O-CB 3.39Å; V40-S43 PolarHBondContact O-N 3.13Å; V40-S43 VanDerWaalsContact O-N 3.13Å; S43-R47 WeakPolarHBondContact O-CB 3.24Å; S43-R47 VanDerWaalsContact O-CG 3.31Å; S43-R47 WeakPolarHBondContact O-CG 3.48Å; S43-R47 PolarHBondContact O-N 3.36Å; S43-R47 VanDerWaalsContact O-N 3.15Å
44	F	93.9	Very high	90.8	Very high	57 Å²	57	76.4 Å²	76.4	25%	0.25	41%	0.405	C	S	.	.	H	α-helix	trans	-64.6	-43.1	174	-65.5	-19.1	0	0	0	112	V40 L41 R42 R47 G48 L49 L50	V40-F44 HydrophobicContact CG1-CD2 4.47Å; V40-F44 HydrophobicContact CG1-CE1 3.96Å; V40-F44 HydrophobicContact CG1-CE2 3.83Å; V40-F44 HydrophobicContact CG1-CZ 3.54Å; V40-F44 PolarHBondContact O-N 3.39Å; L41-F44 HydrophobicContact CD2-CD2 4.36Å; L41-F44 PolarHBondContact O-N 3.15Å; R42-F44 VanDerWaalsContact C-N 3.29Å; R42-F44 PolarHBondContact O-N 2.95Å; F44-R47 PolarHBondContact O-N 3.19Å; F44-G48 PolarHBondContact O-N 2.99Å; F44-L49 HydrophobicContact CB-CB 4.43Å; F44-L49 HydrophobicContact CD1-CD1 4.42Å; F44-L49 PolarHBondContact O-N 3.25Å; F44-L50 HydrophobicContact CD2-CD1 3.97Å; F44-L50 HydrophobicContact CE2-CD1 3.8Å; F44-L50 HydrophobicContact CG-CD1 4.48Å; F44-L50 HydrophobicContact CZ-CD1 4.18Å
45	R	93.2	Very high	91.4	Very high	50 Å²	50	73.8 Å²	73.8	19%	0.189	38%	0.379	C	S	.	.	H	α-helix	trans	-62	-47.5	175.7	-178.1	172.9	175.6	-141.2	-8.5	112.1	L41 R42 R47 G48 F51 L106 D107 Y110	L41-R45 PolarHBondContact O-N 3.04Å; L41-R45 VanDerWaalsContact O-N 3.14Å; R42-R45 PolarHBondContact O-N 3.25Å; R42-R45 VanDerWaalsContact O-N 3.15Å; R45-R47 PolarHBondContact O-N 3.35Å; R45-G48 PolarHBondContact O-N 3.41Å; R45-F51 HydrophobicContact CB-CE1 4.32Å; R45-F51 HydrophobicContact CB-CZ 4.48Å; R45-F51 HydrophobicContact CG-CE1 4.29Å; R45-F51 HydrophobicContact CG-CZ 4.22Å; R45-L106 PolarHBondContact NH1-O 2.96Å; R45-L106 VanDerWaalsContact NH1-O 3.12Å; R45-D107 IonicContact CZ-OD1 2.85Å; R45-D107 VanDerWaalsContact NH1-N 3.19Å; R45-D107 IonicContact NH1-OD1 3.75Å; R45-D107 PolarHBondContact NH1-OD1 3.36Å; R45-D107 IonicContact NH2-OD1 2.6Å; R45-D107 PolarHBondContact NH2-OD1 2.97Å; R45-Y110 HydrophobicContact CB-CD1 4.12Å; R45-Y110 HydrophobicContact CB-CE1 4.1Å; R45-Y110 HydrophobicContact CB-CG 4.47Å
46	E	91.8	Very high	91.9	Very high	134 Å²	134	69.1 Å²	69.1	63%	0.626	36%	0.355	S	S	*	.	H	α-helix	trans	-61.9	-29.3	179.7	-71	171	-177.5	0	0	113	R42	R42-E46 WeakPolarHBondContact CG-OE1 3.47Å; R42-E46 IonicContact CZ-OE1 3.46Å; R42-E46 IonicContact NE-OE1 3.65Å; R42-E46 PolarHBondContact NE-OE1 3.03Å; R42-E46 IonicContact NH2-OE1 2.66Å; R42-E46 WeakPolarHBondContact O-CG 3.46Å; R42-E46 PolarHBondContact O-N 3.27Å
47	R	93.2	Very high	92.3	Very high	173 Å²	173	63.9 Å²	63.9	65%	0.653	33%	0.331	S	S	*	.	H	α-helix	trans	-96.2	-2.9	180	-66.6	174.1	62.8	-170.7	-1.9	114.2	S43 F44 R45 L49	S43-R47 WeakPolarHBondContact O-CB 3.24Å; S43-R47 VanDerWaalsContact O-CG 3.31Å; S43-R47 WeakPolarHBondContact O-CG 3.48Å; S43-R47 PolarHBondContact O-N 3.36Å; S43-R47 VanDerWaalsContact O-N 3.15Å; F44-R47 PolarHBondContact O-N 3.19Å; R45-R47 PolarHBondContact O-N 3.35Å; R47-L49 HydrophobicContact CB-CD1 3.95Å; R47-L49 HydrophobicContact CB-CG 3.91Å
48	G	92.3	Very high	92.2	Very high	45 Å²	45	64.6 Å²	64.6	46%	0.464	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	37	-177.5	0	0	0	0	0	114.5	F44 R45 F51	F44-G48 PolarHBondContact O-N 2.99Å; R45-G48 PolarHBondContact O-N 3.41Å; G48-F51 VanDerWaalsContact CA-CE2 3.44Å
49	L	91.8	Very high	92.1	Very high	64 Å²	64	71.6 Å²	71.6	34%	0.335	36%	0.363	S	S	.	.			trans	-103.4	147.4	-176.8	-62	175.9	0	0	0	111.3	F44 R47 F51 H65	F44-L49 HydrophobicContact CB-CB 4.43Å; F44-L49 HydrophobicContact CD1-CD1 4.42Å; F44-L49 PolarHBondContact O-N 3.25Å; R47-L49 HydrophobicContact CB-CD1 3.95Å; R47-L49 HydrophobicContact CB-CG 3.91Å; L49-F51 PolarHBondContact O-N 3.36Å; L49-F51 VanDerWaalsContact O-N 3.14Å; L49-H65 PolarHBondContact O-NE2 3.04Å
50	L	91.1	Very high	92.3	Very high	124 Å²	124	73.4 Å²	73.4	65%	0.649	36%	0.361	S	S	*	.	S	Bend	trans	60.4	18.7	168.3	-55.4	176	0	0	0	116.4	F44 D52 H65	F44-L50 HydrophobicContact CD2-CD1 3.97Å; F44-L50 HydrophobicContact CE2-CD1 3.8Å; F44-L50 HydrophobicContact CG-CD1 4.48Å; F44-L50 HydrophobicContact CZ-CD1 4.18Å; L50-D52 PolarHBondContact O-N 3.29Å; L50-H65 PolarHBondContact O-CD2 3.49Å
51	F	93.8	Very high	92.5	Very high	71 Å²	71	76.8 Å²	76.8	31%	0.311	37%	0.372	S	S	.	.			trans	-63.3	131.5	172.3	-61.1	-41	0	0	0	111.7	R45 G48 L49 P63 H65	R45-F51 HydrophobicContact CB-CE1 4.32Å; R45-F51 HydrophobicContact CB-CZ 4.48Å; R45-F51 HydrophobicContact CG-CE1 4.29Å; R45-F51 HydrophobicContact CG-CZ 4.22Å; G48-F51 VanDerWaalsContact CA-CE2 3.44Å; L49-F51 PolarHBondContact O-N 3.36Å; L49-F51 VanDerWaalsContact O-N 3.14Å; F51-P63 HydrophobicContact CB-CB 4.26Å; F51-P63 HydrophobicContact CD1-CB 4.36Å; F51-P63 HydrophobicContact CD2-CB 3.28Å; F51-P63 HydrophobicContact CD2-CG 4.41Å; F51-P63 HydrophobicContact CE2-CB 3.48Å; F51-P63 VanDerWaalsContact CE2-CB 3.48Å; F51-P63 HydrophobicContact CE2-CG 4.43Å; F51-P63 HydrophobicContact CG-CB 3.74Å; F51-P63 HydrophobicContact CZ-CB 4.13Å; F51-H65 AromaticContact CD1-CE1 3.61Å; F51-H65 AromaticContact CD1-ND1 3.93Å; F51-H65 AromaticContact CD1-NE2 3.87Å; F51-H65 AromaticContact CE1-CE1 3.56Å; F51-H65 AromaticContact CE1-ND1 3.98Å
52	D	92.2	Very high	92.6	Very high	77 Å²	77	76.6 Å²	76.6	41%	0.412	37%	0.37	S	S	.	.			trans	-127.9	8.7	-179.3	63.1	-7.6	0	0	0	112	L50 C64 H65 R66	L50-D52 PolarHBondContact O-N 3.29Å; D52-C64 PolarHBondContact N-O 3.25Å; D52-H65 VanDerWaalsContact OD1-CA 3.24Å; D52-H65 WeakPolarHBondContact OD1-CA 3.45Å; D52-R66 PolarHBondContact O-NE 3.09Å; D52-R66 WeakPolarHBondContact OD1-CG 3.39Å; D52-R66 PolarHBondContact OD1-N 3.25Å
53	F	93.4	Very high	92.7	Very high	3 Å²	3	73.7 Å²	73.7	1%	0.013	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	152.5	177.9	-155.5	-114.7	0	0	0	113	I55 C64 R66 L69 F76 M79 F80 G90 V92	F53-I55 HydrophobicContact CD1-CG1 4.37Å; F53-I55 HydrophobicContact CE1-CG1 4.34Å; F53-C64 PolarHBondContact N-O 2.76Å; F53-C64 PolarHBondContact O-N 2.9Å; F53-C64 VanDerWaalsContact O-O 3.08Å; F53-R66 HydrophobicContact CB-CG 3.73Å; F53-R66 HydrophobicContact CD2-CG 4.21Å; F53-R66 HydrophobicContact CG-CG 4.12Å; F53-L69 HydrophobicContact CD1-CD1 3.85Å; F53-L69 HydrophobicContact CE1-CD1 4.37Å; F53-F76 HydrophobicContact CE1-CE1 4.44Å; F53-M79 HydrophobicContact CZ-SD 4.32Å; F53-F80 HydrophobicContact CD1-CE1 4.34Å; F53-F80 HydrophobicContact CD1-CZ 4.03Å; F53-F80 HydrophobicContact CD2-CE1 4.04Å; F53-F80 HydrophobicContact CD2-CZ 4.39Å; F53-F80 AromaticContact CE1-CE1 3.99Å; F53-F80 HydrophobicContact CE1-CE1 3.99Å; F53-F80 AromaticContact CE1-CZ 3.93Å; F53-F80 HydrophobicContact CE1-CZ 3.93Å; F53-F80 AromaticContact CE2-CE1 3.69Å; F53-F80 HydrophobicContact CE2-CE1 3.69Å; F53-F80 HydrophobicContact CE2-CZ 4.33Å; F53-F80 HydrophobicContact CG-CE1 4.35Å; F53-F80 HydrophobicContact CG-CZ 4.24Å; F53-F80 AromaticContact CZ-CE1 3.65Å; F53-F80 HydrophobicContact CZ-CE1 3.65Å; F53-F80 HydrophobicContact CZ-CZ 4.09Å; F53-G90 CarbonylContact C-O 3.55Å; F53-G90 VanDerWaalsContact CA-O 3.32Å; F53-G90 WeakPolarHBondContact CA-O 3.46Å; F53-G90 WeakPolarHBondContact CD2-O 3.17Å; F53-V92 HydrophobicContact CE1-CB 4.05Å; F53-V92 HydrophobicContact CE1-CG1 3.52Å; F53-V92 HydrophobicContact CZ-CB 3.8Å; F53-V92 HydrophobicContact CZ-CG1 3.82Å
54	T	94	Very high	92.8	Very high	36 Å²	36	71.7 Å²	71.7	22%	0.221	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.3	174.5	-57.9	0	0	0	0	110.9	V56 E61 G90 S91 V92	T54-V56 HydrophobicContact CG2-CG2 4.2Å; T54-E61 HydrophobicContact CG2-CB 3.98Å; T54-E61 HydrophobicContact CG2-CG 4.45Å; T54-G90 PolarHBondContact N-O 3.31Å; T54-S91 CarbonylContact O-C 3.37Å; T54-S91 WeakPolarHBondContact O-CA 3.47Å; T54-S91 VanDerWaalsContact O-CB 3.28Å; T54-S91 WeakPolarHBondContact O-CB 3.39Å; T54-V92 PolarHBondContact O-N 3.33Å
55	I	94.4	Very high	92.9	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	124	169.1	-62.1	170.2	0	0	0	108	F53 V57 F62 L69 F76 V92 L94 V102 L106	F53-I55 HydrophobicContact CD1-CG1 4.37Å; F53-I55 HydrophobicContact CE1-CG1 4.34Å; I55-V57 HydrophobicContact CG2-CG2 3.91Å; I55-F62 HydrophobicContact CB-CB 4.28Å; I55-F62 PolarHBondContact N-O 3.29Å; I55-F62 PolarHBondContact O-N 3.28Å; I55-L69 HydrophobicContact CD1-CD1 3.99Å; I55-L69 HydrophobicContact CD1-CD2 4.08Å; I55-L69 HydrophobicContact CG1-CD1 4.38Å; I55-F76 HydrophobicContact CD1-CE1 4.4Å; I55-F76 HydrophobicContact CD1-CE2 4.23Å; I55-F76 HydrophobicContact CD1-CZ 3.7Å; I55-F76 HydrophobicContact CG1-CZ 4.25Å; I55-V92 HydrophobicContact CB-CG1 4.38Å; I55-V92 HydrophobicContact CG1-CG1 3.99Å; I55-V92 HydrophobicContact CG2-CG1 4.37Å; I55-L94 HydrophobicContact CG2-CD1 3.82Å; I55-L94 HydrophobicContact CG2-CG 4.19Å; I55-V102 HydrophobicContact CG2-CG1 4.11Å; I55-L106 HydrophobicContact CD1-CD2 4.29Å
56	V	93.3	Very high	92.8	Very high	32 Å²	32	69.9 Å²	69.9	19%	0.194	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.8	177.1	-174.1	0	0	0	0	108.5	T54 H60 E61 V92 N93 L94	T54-V56 HydrophobicContact CG2-CG2 4.2Å; V56-H60 WeakPolarHBondContact CA-O 3.3Å; V56-E61 HydrophobicContact CG2-CG 4.35Å; V56-V92 PolarHBondContact N-O 2.65Å; V56-N93 CarbonylContact O-C 3.6Å; V56-N93 WeakPolarHBondContact O-CA 3.48Å; V56-N93 PolarHBondContact O-OD1 3.42Å; V56-L94 PolarHBondContact O-N 3.14Å
57	V	93.1	Very high	92.8	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	113.1	178.6	-178.3	0	0	0	0	107.7	I55 E59 H60 F62 L94 Q97 P99 V102	I55-V57 HydrophobicContact CG2-CG2 3.91Å; V57-E59 PolarHBondContact O-N 2.83Å; V57-E59 VanDerWaalsContact O-N 3.15Å; V57-H60 PolarHBondContact N-O 2.84Å; V57-H60 PolarHBondContact O-N 3.03Å; V57-F62 HydrophobicContact CB-CE2 4.17Å; V57-F62 HydrophobicContact CG2-CD2 4.35Å; V57-F62 HydrophobicContact CG2-CE2 4.19Å; V57-L94 HydrophobicContact CG2-CB 4.12Å; V57-Q97 HydrophobicContact CG1-CB 4.3Å; V57-Q97 WeakPolarHBondContact CG1-O 3.26Å; V57-P99 HydrophobicContact CG1-CB 4.49Å; V57-P99 HydrophobicContact CG1-CG 3.93Å; V57-V102 HydrophobicContact CG2-CB 4.2Å; V57-V102 HydrophobicContact CG2-CG1 4.14Å; V57-V102 HydrophobicContact CG2-CG2 3.82Å
58	Q	88	Confident	92.9	Very high	121 Å²	121	59.6 Å²	59.6	57%	0.565	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	-117.1	-173.5	-54.4	173.9	4.7	0	0	110.5
59	E	87.4	Confident	93	Very high	192 Å²	192	57.4 Å²	57.4	90%	0.897	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	7.1	175.6	-58.9	-163.4	164	0	0	113.8	V57	V57-E59 PolarHBondContact O-N 2.83Å; V57-E59 VanDerWaalsContact O-N 3.15Å
60	H	92.3	Very high	93	Very high	98 Å²	98	55.6 Å²	55.6	45%	0.454	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.3	-177.9	-62	84.8	0	0	0	111.5	V56 V57 F62 P99	V56-H60 WeakPolarHBondContact CA-O 3.3Å; V57-H60 PolarHBondContact N-O 2.84Å; V57-H60 PolarHBondContact O-N 3.03Å; H60-F62 HydrophobicContact CB-CD2 4.48Å; H60-F62 HydrophobicContact CB-CE2 3.66Å; H60-F62 HydrophobicContact CB-CZ 3.94Å; H60-P99 HydrophobicContact CB-CB 4.45Å
61	E	94.4	Very high	93.1	Very high	143 Å²	143	53.8 Å²	53.8	67%	0.668	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	131	174.3	-64	-173.3	178.7	0	0	110.7	T54 V56 P63	T54-E61 HydrophobicContact CG2-CB 3.98Å; T54-E61 HydrophobicContact CG2-CG 4.45Å; V56-E61 HydrophobicContact CG2-CG 4.35Å; E61-P63 WeakPolarHBondContact O-CD 3.42Å
62	F	95.5	Very high	93.1	Very high	30 Å²	30	52.4 Å²	52.4	13%	0.132	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	93.3	179.7	-59.9	-85.8	0	0	0	110.6	I55 V57 H60 C64 P99 V102 C103 L106	I55-F62 HydrophobicContact CB-CB 4.28Å; I55-F62 PolarHBondContact N-O 3.29Å; I55-F62 PolarHBondContact O-N 3.28Å; V57-F62 HydrophobicContact CB-CE2 4.17Å; V57-F62 HydrophobicContact CG2-CD2 4.35Å; V57-F62 HydrophobicContact CG2-CE2 4.19Å; H60-F62 HydrophobicContact CB-CD2 4.48Å; H60-F62 HydrophobicContact CB-CE2 3.66Å; H60-F62 HydrophobicContact CB-CZ 3.94Å; F62-C64 PolarHBondContact O-SG 3.35Å; F62-P99 HydrophobicContact CE2-CB 4.43Å; F62-P99 HydrophobicContact CZ-CB 4.13Å; F62-V102 HydrophobicContact CD2-CG1 4.11Å; F62-V102 HydrophobicContact CE2-CG1 4.29Å; F62-V102 HydrophobicContact CG-CG1 4.46Å; F62-C103 HydrophobicContact CE1-CB 3.99Å; F62-C103 HydrophobicContact CZ-CB 4.49Å; F62-L106 HydrophobicContact CB-CD1 3.66Å; F62-L106 HydrophobicContact CD1-CD1 4.03Å; F62-L106 HydrophobicContact CG-CD1 4.03Å
63	P	95	Very high	93.3	Very high	55 Å²	55	48.8 Å²	48.8	36%	0.357	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	134.5	173.1	-22.6	35	0	0	0	111.7	F51 E61	F51-P63 HydrophobicContact CB-CB 4.26Å; F51-P63 HydrophobicContact CD1-CB 4.36Å; F51-P63 HydrophobicContact CD2-CB 3.28Å; F51-P63 HydrophobicContact CD2-CG 4.41Å; F51-P63 HydrophobicContact CE2-CB 3.48Å; F51-P63 VanDerWaalsContact CE2-CB 3.48Å; F51-P63 HydrophobicContact CE2-CG 4.43Å; F51-P63 HydrophobicContact CG-CB 3.74Å; F51-P63 HydrophobicContact CZ-CB 4.13Å; E61-P63 WeakPolarHBondContact O-CD 3.42Å
64	C	95.3	Very high	93.3	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	177.4	-172.8	53	0	0	0	0	112.6	D52 F53 F62 L106	D52-C64 PolarHBondContact N-O 3.25Å; F53-C64 PolarHBondContact N-O 2.76Å; F53-C64 PolarHBondContact O-N 2.9Å; F53-C64 VanDerWaalsContact O-O 3.08Å; F62-C64 PolarHBondContact O-SG 3.35Å; C64-L106 HydrophobicContact CB-CD2 4.22Å
65	H	94.6	Very high	93.2	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.037	28%	0.278	C	S	.	.			trans	-106.9	125.7	-179.6	-53.5	90.2	0	0	0	110.8	L49 L50 F51 D52 C67 V68 L69 Y110	L49-H65 PolarHBondContact O-NE2 3.04Å; L50-H65 PolarHBondContact O-CD2 3.49Å; F51-H65 AromaticContact CD1-CE1 3.61Å; F51-H65 AromaticContact CD1-ND1 3.93Å; F51-H65 AromaticContact CD1-NE2 3.87Å; F51-H65 AromaticContact CE1-CE1 3.56Å; F51-H65 AromaticContact CE1-ND1 3.98Å; D52-H65 VanDerWaalsContact OD1-CA 3.24Å; D52-H65 WeakPolarHBondContact OD1-CA 3.45Å; H65-C67 PolarHBondContact O-N 3.36Å; H65-V68 HydrophobicContact CB-CB 4.32Å; H65-V68 HydrophobicContact CB-CG2 3.99Å; H65-V68 PolarHBondContact O-N 3.28Å; H65-V68 VanDerWaalsContact O-N 3.15Å; H65-L69 PolarHBondContact O-N 3.37Å; H65-L69 VanDerWaalsContact O-N 3.16Å; H65-Y110 PolarHBondContact N-OH 3.01Å; H65-Y110 AromaticContact ND1-CE1 3.45Å; H65-Y110 WeakPolarHBondContact ND1-CE1 3.06Å; H65-Y110 AromaticContact ND1-CZ 3.51Å; H65-Y110 PolarHBondContact ND1-OH 3.32Å
66	R	92.1	Very high	93.1	Very high	62 Å²	62	51.6 Å²	51.6	23%	0.234	28%	0.278	C	S	.	.	H	α-helix	trans	-54.2	-41.5	178.1	-67	-178.5	-176.5	-145.2	-2	112.2	D52 F53 V68 L69 A70 F80 R87	D52-R66 PolarHBondContact O-NE 3.09Å; D52-R66 WeakPolarHBondContact OD1-CG 3.39Å; D52-R66 PolarHBondContact OD1-N 3.25Å; F53-R66 HydrophobicContact CB-CG 3.73Å; F53-R66 HydrophobicContact CD2-CG 4.21Å; F53-R66 HydrophobicContact CG-CG 4.12Å; R66-V68 VanDerWaalsContact C-N 3.34Å; R66-V68 PolarHBondContact O-N 3.05Å; R66-L69 PolarHBondContact O-N 3.37Å; R66-A70 VanDerWaalsContact O-CB 3.3Å; R66-A70 WeakPolarHBondContact O-CB 3.32Å; R66-A70 PolarHBondContact O-N 3.44Å; R66-F80 HydrophobicContact CB-CD2 4.07Å; R66-F80 HydrophobicContact CB-CE2 3.8Å; R66-F80 HydrophobicContact CB-CZ 4.15Å; R66-F80 HydrophobicContact CG-CE1 4.18Å; R66-F80 HydrophobicContact CG-CE2 4.11Å; R66-F80 HydrophobicContact CG-CZ 3.93Å; R66-F80 WeakPolarHBondContact O-CE2 3.24Å; R66-R87 PolarHBondContact NH1-O 2.91Å; R66-R87 PolarHBondContact NH2-O 3.02Å
67	C	91.8	Very high	93.1	Very high	81 Å²	81	55.4 Å²	55.4	55%	0.547	29%	0.288	S	S	.	.	H	α-helix	trans	-65.3	-35.7	-177.8	61.6	0	0	0	0	113	H65 A71	H65-C67 PolarHBondContact O-N 3.36Å; C67-A71 VanDerWaalsContact O-CB 3.26Å; C67-A71 WeakPolarHBondContact O-CB 3.41Å; C67-A71 PolarHBondContact O-N 2.87Å; C67-A71 VanDerWaalsContact O-N 3.09Å
68	V	94.5	Very high	92.9	Very high	9 Å²	9	58.9 Å²	58.9	6%	0.055	31%	0.31	C	S	.	.	H	α-helix	trans	-71.7	-44.9	177	178.2	0	0	0	0	109.9	L41 H65 R66 A71 C72 A109 Y110	L41-V68 HydrophobicContact CD1-CG2 4.03Å; L41-V68 HydrophobicContact CD2-CG2 4.16Å; L41-V68 HydrophobicContact CG-CG2 4.48Å; H65-V68 HydrophobicContact CB-CB 4.32Å; H65-V68 HydrophobicContact CB-CG2 3.99Å; H65-V68 PolarHBondContact O-N 3.28Å; H65-V68 VanDerWaalsContact O-N 3.15Å; R66-V68 VanDerWaalsContact C-N 3.34Å; R66-V68 PolarHBondContact O-N 3.05Å; V68-A71 PolarHBondContact O-N 2.99Å; V68-C72 PolarHBondContact O-N 2.87Å; V68-C72 VanDerWaalsContact O-N 3.12Å; V68-C72 PolarHBondContact O-SG 3.12Å; V68-A109 HydrophobicContact CG1-CB 4.05Å; V68-Y110 HydrophobicContact CB-CE1 4.15Å; V68-Y110 HydrophobicContact CG1-CD1 4.28Å; V68-Y110 HydrophobicContact CG1-CD2 4.29Å; V68-Y110 HydrophobicContact CG1-CE1 3.95Å; V68-Y110 HydrophobicContact CG1-CE2 3.93Å; V68-Y110 HydrophobicContact CG1-CG 4.45Å; V68-Y110 HydrophobicContact CG2-CD1 4.49Å; V68-Y110 HydrophobicContact CG2-CE1 3.75Å
69	L	94.4	Very high	92.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-48.5	176.2	-67.6	-178.7	0	0	0	112.1	F53 I55 H65 R66 A71 C72 S73 F76 F80 F105 L106	F53-L69 HydrophobicContact CD1-CD1 3.85Å; F53-L69 HydrophobicContact CE1-CD1 4.37Å; I55-L69 HydrophobicContact CD1-CD1 3.99Å; I55-L69 HydrophobicContact CD1-CD2 4.08Å; I55-L69 HydrophobicContact CG1-CD1 4.38Å; H65-L69 PolarHBondContact O-N 3.37Å; H65-L69 VanDerWaalsContact O-N 3.16Å; R66-L69 PolarHBondContact O-N 3.37Å; L69-A71 VanDerWaalsContact C-N 3.27Å; L69-A71 PolarHBondContact O-N 3.27Å; L69-C72 PolarHBondContact O-N 3.46Å; L69-S73 WeakPolarHBondContact O-CB 3.44Å; L69-S73 PolarHBondContact O-N 3.15Å; L69-F76 HydrophobicContact CB-CB 3.87Å; L69-F76 HydrophobicContact CB-CD2 3.87Å; L69-F76 HydrophobicContact CB-CG 3.87Å; L69-F76 HydrophobicContact CD1-CD1 4.23Å; L69-F76 HydrophobicContact CD1-CD2 4.32Å; L69-F76 HydrophobicContact CD1-CE1 4.32Å; L69-F76 HydrophobicContact CD1-CE2 4.41Å; L69-F76 HydrophobicContact CD1-CG 4.25Å; L69-F76 HydrophobicContact CD1-CZ 4.42Å; L69-F76 HydrophobicContact CD2-CD2 4.03Å; L69-F76 HydrophobicContact CD2-CE2 4.01Å; L69-F76 HydrophobicContact CG-CD2 4.31Å; L69-F80 HydrophobicContact CB-CE2 4.06Å; L69-F80 HydrophobicContact CD1-CE2 4.49Å; L69-F80 HydrophobicContact CD1-CZ 4.2Å; L69-F105 HydrophobicContact CD2-CE1 3.81Å; L69-F105 HydrophobicContact CD2-CZ 4.15Å; L69-L106 HydrophobicContact CD2-CD2 3.82Å
70	A	93.1	Very high	92.9	Very high	26 Å²	26	46.3 Å²	46.3	22%	0.215	25%	0.251	C	S	.	.	H	α-helix	trans	-64	-31.1	178.7	0	0	0	0	0	113.3	R66 R77 F80	R66-A70 VanDerWaalsContact O-CB 3.3Å; R66-A70 WeakPolarHBondContact O-CB 3.32Å; R66-A70 PolarHBondContact O-N 3.44Å; A70-R77 HydrophobicContact CB-CB 4.31Å; A70-F80 HydrophobicContact CB-CD2 4.07Å
71	A	92.3	Very high	92.5	Very high	86 Å²	86	48 Å²	48	71%	0.711	26%	0.259	S	S	*	.	H	α-helix	trans	-74.1	-29.9	177.2	0	0	0	0	0	112.5	C67 V68 L69	C67-A71 VanDerWaalsContact O-CB 3.26Å; C67-A71 WeakPolarHBondContact O-CB 3.41Å; C67-A71 PolarHBondContact O-N 2.87Å; C67-A71 VanDerWaalsContact O-N 3.09Å; V68-A71 PolarHBondContact O-N 2.99Å; L69-A71 VanDerWaalsContact C-N 3.27Å; L69-A71 PolarHBondContact O-N 3.27Å
72	C	93.6	Very high	91.6	Very high	41 Å²	41	44.9 Å²	44.9	28%	0.277	25%	0.25	S	C	.	.	H	α-helix	trans	-98.6	-22.2	-175.5	-67.6	0	0	0	0	114.3	V68 L69 A109	V68-C72 PolarHBondContact O-N 2.87Å; V68-C72 VanDerWaalsContact O-N 3.12Å; V68-C72 PolarHBondContact O-SG 3.12Å; L69-C72 PolarHBondContact O-N 3.46Å; C72-A109 HydrophobicContact CB-CB 4.32Å
73	S	95.9	Very high	90.1	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	28%	0.277	C	S	.	.			trans	-137.3	125	-169.6	159.1	0	0	0	0	111.2	L69 F75 F76 R77 L131	L69-S73 WeakPolarHBondContact O-CB 3.44Å; L69-S73 PolarHBondContact O-N 3.15Å; S73-F75 VanDerWaalsContact C-N 3.31Å; S73-F75 PolarHBondContact O-N 3.16Å; S73-F75 PolarHBondContact OG-N 3.19Å; S73-F76 PolarHBondContact O-N 3.48Å; S73-F76 VanDerWaalsContact OG-CD2 3.29Å; S73-F76 WeakPolarHBondContact OG-CD2 3.45Å; S73-F76 PolarHBondContact OG-N 3.04Å; S73-R77 WeakPolarHBondContact O-CB 3.37Å; S73-R77 PolarHBondContact O-N 3.02Å; S73-L131 WeakPolarHBondContact CB-O 3.23Å; S73-L131 PolarHBondContact OG-O 2.95Å
74	D	93.6	Very high	88.6	Confident	50 Å²	50	52.3 Å²	52.3	27%	0.267	29%	0.285	S	S	.	.	H	α-helix	trans	-68.3	-33.6	177	-74	-34.9	0	0	0	112	F76 R77 V78 Q132	D74-F76 PolarHBondContact O-N 2.84Å; D74-R77 PolarHBondContact O-N 3.12Å; D74-R77 IonicContact OD1-CZ 3.98Å; D74-R77 VanDerWaalsContact OD1-CZ 3.25Å; D74-R77 IonicContact OD1-NE 3.9Å; D74-R77 PolarHBondContact OD1-NE 2.79Å; D74-R77 VanDerWaalsContact OD1-NE 3.14Å; D74-R77 IonicContact OD1-NH2 3.66Å; D74-R77 PolarHBondContact OD1-NH2 3.09Å; D74-V78 WeakPolarHBondContact O-CB 3.41Å; D74-V78 WeakPolarHBondContact O-CG2 3.31Å; D74-V78 PolarHBondContact O-N 2.77Å; D74-Q132 HydrophobicContact CB-CB 3.86Å; D74-Q132 PolarHBondContact N-O 2.95Å; D74-Q132 VanDerWaalsContact N-O 3.11Å
75	F	93	Very high	86.8	Confident	49 Å²	49	62.9 Å²	62.9	22%	0.215	33%	0.325	C	S	.	.	H	α-helix	trans	-55.2	-51.1	172.8	174	-93.4	0	0	0	111.8	S73 M79 F130 L131	S73-F75 VanDerWaalsContact C-N 3.31Å; S73-F75 PolarHBondContact O-N 3.16Å; S73-F75 PolarHBondContact OG-N 3.19Å; F75-M79 HydrophobicContact CD1-CE 4.24Å; F75-M79 HydrophobicContact CE1-CE 3.29Å; F75-M79 HydrophobicContact CE1-SD 4.45Å; F75-M79 HydrophobicContact CE2-CE 4.34Å; F75-M79 HydrophobicContact CZ-CE 3.35Å; F75-M79 WeakPolarHBondContact O-CB 3.12Å; F75-M79 PolarHBondContact O-N 3.04Å; F75-F130 HydrophobicContact CE2-CE1 4.45Å; F75-F130 HydrophobicContact CE2-CZ 4.17Å; F75-F130 HydrophobicContact CZ-CE1 4.29Å; F75-F130 HydrophobicContact CZ-CZ 4.2Å; F75-L131 VanDerWaalsContact CB-O 3.27Å; F75-L131 WeakPolarHBondContact CB-O 3.34Å; F75-L131 HydrophobicContact CD1-CD2 3.81Å; F75-L131 HydrophobicContact CE1-CD2 4.18Å; F75-L131 HydrophobicContact CG-CD2 4.38Å; F75-L131 PolarHBondContact N-O 3.46Å
76	F	92.9	Very high	85.3	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-70.6	-36.5	179.2	-73.4	-58.6	0	0	0	112.5	F53 I55 L69 S73 D74 M79 F80 V92 L94 F105 L131	F53-F76 HydrophobicContact CE1-CE1 4.44Å; I55-F76 HydrophobicContact CD1-CE1 4.4Å; I55-F76 HydrophobicContact CD1-CE2 4.23Å; I55-F76 HydrophobicContact CD1-CZ 3.7Å; I55-F76 HydrophobicContact CG1-CZ 4.25Å; L69-F76 HydrophobicContact CB-CB 3.87Å; L69-F76 HydrophobicContact CB-CD2 3.87Å; L69-F76 HydrophobicContact CB-CG 3.87Å; L69-F76 HydrophobicContact CD1-CD1 4.23Å; L69-F76 HydrophobicContact CD1-CD2 4.32Å; L69-F76 HydrophobicContact CD1-CE1 4.32Å; L69-F76 HydrophobicContact CD1-CE2 4.41Å; L69-F76 HydrophobicContact CD1-CG 4.25Å; L69-F76 HydrophobicContact CD1-CZ 4.42Å; L69-F76 HydrophobicContact CD2-CD2 4.03Å; L69-F76 HydrophobicContact CD2-CE2 4.01Å; L69-F76 HydrophobicContact CG-CD2 4.31Å; S73-F76 PolarHBondContact O-N 3.48Å; S73-F76 VanDerWaalsContact OG-CD2 3.29Å; S73-F76 WeakPolarHBondContact OG-CD2 3.45Å; S73-F76 PolarHBondContact OG-N 3.04Å; D74-F76 PolarHBondContact O-N 2.84Å; F76-M79 HydrophobicContact CD1-SD 4.11Å; F76-M79 HydrophobicContact CE1-SD 4.4Å; F76-M79 PolarHBondContact O-N 2.64Å; F76-F80 HydrophobicContact CB-CD2 4.43Å; F76-F80 HydrophobicContact CB-CE2 3.86Å; F76-F80 HydrophobicContact CB-CZ 4.29Å; F76-F80 HydrophobicContact CD1-CE2 4.49Å; F76-F80 HydrophobicContact CD1-CZ 4.08Å; F76-F80 WeakPolarHBondContact O-CD2 3.33Å; F76-F80 VanDerWaalsContact O-CG 3.24Å; F76-F80 WeakPolarHBondContact O-CG 3.43Å; F76-F80 PolarHBondContact O-N 2.9Å; F76-V92 HydrophobicContact CE1-CG1 4.14Å; F76-L94 HydrophobicContact CZ-CD1 4.38Å; F76-F105 HydrophobicContact CE2-CE1 4.03Å; F76-F105 HydrophobicContact CE2-CZ 4.32Å; F76-L131 HydrophobicContact CE2-CD1 4.09Å; F76-L131 HydrophobicContact CE2-CD2 3.72Å; F76-L131 HydrophobicContact CE2-CG 4.44Å; F76-L131 HydrophobicContact CZ-CD2 3.88Å
77	R	91.3	Very high	83.9	Confident	111 Å²	111	68.1 Å²	68.1	42%	0.419	35%	0.348	S	S	.	.	H	α-helix	trans	-56.9	-52	174.2	-175.9	165	63.1	135.8	-1.7	111.3	A70 S73 D74 M79 F80 E81	A70-R77 HydrophobicContact CB-CB 4.31Å; S73-R77 WeakPolarHBondContact O-CB 3.37Å; S73-R77 PolarHBondContact O-N 3.02Å; D74-R77 PolarHBondContact O-N 3.12Å; D74-R77 IonicContact OD1-CZ 3.98Å; D74-R77 VanDerWaalsContact OD1-CZ 3.25Å; D74-R77 IonicContact OD1-NE 3.9Å; D74-R77 PolarHBondContact OD1-NE 2.79Å; D74-R77 VanDerWaalsContact OD1-NE 3.14Å; D74-R77 IonicContact OD1-NH2 3.66Å; D74-R77 PolarHBondContact OD1-NH2 3.09Å; R77-M79 PolarHBondContact O-N 3.29Å; R77-F80 PolarHBondContact O-N 2.75Å; R77-E81 WeakPolarHBondContact CG-OE1 3.28Å; R77-E81 WeakPolarHBondContact O-CB 3.33Å; R77-E81 WeakPolarHBondContact O-CG 3.47Å; R77-E81 PolarHBondContact O-N 3.34Å
78	V	90.1	Very high	82.4	Confident	74 Å²	74	67.7 Å²	67.7	45%	0.448	36%	0.357	S	S	.	.	H	α-helix	trans	-62.1	-42.8	176.9	173.5	0	0	0	0	111.2	D74 F80 E81 V82	D74-V78 WeakPolarHBondContact O-CB 3.41Å; D74-V78 WeakPolarHBondContact O-CG2 3.31Å; D74-V78 PolarHBondContact O-N 2.77Å; V78-F80 VanDerWaalsContact C-N 3.27Å; V78-F80 PolarHBondContact O-N 2.83Å; V78-E81 PolarHBondContact O-N 2.84Å; V78-V82 HydrophobicContact CG1-CG2 3.9Å; V78-V82 WeakPolarHBondContact O-CB 3.07Å; V78-V82 WeakPolarHBondContact O-CG2 3.42Å; V78-V82 PolarHBondContact O-N 2.75Å
79	M	88.6	Confident	81.1	Confident	20 Å²	20	73 Å²	73	10%	0.099	38%	0.384	C	S	.	.	H	α-helix	trans	-58.4	-36.6	177.9	179.6	-179.2	-72.8	0	0	113.2	F53 F75 F76 R77 E86 V92	F53-M79 HydrophobicContact CZ-SD 4.32Å; F75-M79 HydrophobicContact CD1-CE 4.24Å; F75-M79 HydrophobicContact CE1-CE 3.29Å; F75-M79 HydrophobicContact CE1-SD 4.45Å; F75-M79 HydrophobicContact CE2-CE 4.34Å; F75-M79 HydrophobicContact CZ-CE 3.35Å; F75-M79 WeakPolarHBondContact O-CB 3.12Å; F75-M79 PolarHBondContact O-N 3.04Å; F76-M79 HydrophobicContact CD1-SD 4.11Å; F76-M79 HydrophobicContact CE1-SD 4.4Å; F76-M79 PolarHBondContact O-N 2.64Å; R77-M79 PolarHBondContact O-N 3.29Å; M79-E86 HydrophobicContact CG-CB 4.31Å; M79-E86 HydrophobicContact SD-CB 4.2Å; M79-V92 HydrophobicContact CE-CG2 3.84Å; M79-V92 HydrophobicContact SD-CB 4.33Å; M79-V92 HydrophobicContact SD-CG2 4.17Å
80	F	87.6	Confident	80.6	Confident	28 Å²	28	74.2 Å²	74.2	12%	0.123	40%	0.397	C	S	.	.	H	α-helix	trans	-87.6	-25.9	-179.1	-57.7	-36	0	0	0	113.8	F53 R66 L69 A70 F76 R77 V78	F53-F80 HydrophobicContact CD1-CE1 4.34Å; F53-F80 HydrophobicContact CD1-CZ 4.03Å; F53-F80 HydrophobicContact CD2-CE1 4.04Å; F53-F80 HydrophobicContact CD2-CZ 4.39Å; F53-F80 AromaticContact CE1-CE1 3.99Å; F53-F80 HydrophobicContact CE1-CE1 3.99Å; F53-F80 AromaticContact CE1-CZ 3.93Å; F53-F80 HydrophobicContact CE1-CZ 3.93Å; F53-F80 AromaticContact CE2-CE1 3.69Å; F53-F80 HydrophobicContact CE2-CE1 3.69Å; F53-F80 HydrophobicContact CE2-CZ 4.33Å; F53-F80 HydrophobicContact CG-CE1 4.35Å; F53-F80 HydrophobicContact CG-CZ 4.24Å; F53-F80 AromaticContact CZ-CE1 3.65Å; F53-F80 HydrophobicContact CZ-CE1 3.65Å; F53-F80 HydrophobicContact CZ-CZ 4.09Å; R66-F80 HydrophobicContact CB-CD2 4.07Å; R66-F80 HydrophobicContact CB-CE2 3.8Å; R66-F80 HydrophobicContact CB-CZ 4.15Å; R66-F80 HydrophobicContact CG-CE1 4.18Å; R66-F80 HydrophobicContact CG-CE2 4.11Å; R66-F80 HydrophobicContact CG-CZ 3.93Å; R66-F80 WeakPolarHBondContact O-CE2 3.24Å; L69-F80 HydrophobicContact CB-CE2 4.06Å; L69-F80 HydrophobicContact CD1-CE2 4.49Å; L69-F80 HydrophobicContact CD1-CZ 4.2Å; A70-F80 HydrophobicContact CB-CD2 4.07Å; F76-F80 HydrophobicContact CB-CD2 4.43Å; F76-F80 HydrophobicContact CB-CE2 3.86Å; F76-F80 HydrophobicContact CB-CZ 4.29Å; F76-F80 HydrophobicContact CD1-CE2 4.49Å; F76-F80 HydrophobicContact CD1-CZ 4.08Å; F76-F80 WeakPolarHBondContact O-CD2 3.33Å; F76-F80 VanDerWaalsContact O-CG 3.24Å; F76-F80 WeakPolarHBondContact O-CG 3.43Å; F76-F80 PolarHBondContact O-N 2.9Å; R77-F80 PolarHBondContact O-N 2.75Å; V78-F80 VanDerWaalsContact C-N 3.27Å; V78-F80 PolarHBondContact O-N 2.83Å
81	E	83	Confident	80.4	Confident	135 Å²	135	75 Å²	75	63%	0.631	40%	0.401	S	S	*	.	H	α-helix	trans	-82.2	-38.7	178.3	-73.4	178.7	-177.3	0	0	112.8	R77 V78	R77-E81 WeakPolarHBondContact CG-OE1 3.28Å; R77-E81 WeakPolarHBondContact O-CB 3.33Å; R77-E81 WeakPolarHBondContact O-CG 3.47Å; R77-E81 PolarHBondContact O-N 3.34Å; V78-E81 PolarHBondContact O-N 2.84Å
82	V	76.6	Confident	80.3	Confident	77 Å²	77	71.3 Å²	71.3	47%	0.467	37%	0.37	S	S	.	.	S	Bend	trans	-87	145.4	-179.6	-176.5	0	0	0	0	110	V78 M84	V78-V82 HydrophobicContact CG1-CG2 3.9Å; V78-V82 WeakPolarHBondContact O-CB 3.07Å; V78-V82 WeakPolarHBondContact O-CG2 3.42Å; V78-V82 PolarHBondContact O-N 2.75Å; V82-M84 HydrophobicContact CG1-CG 4.39Å; V82-M84 PolarHBondContact O-N 2.93Å
83	D	62.6	Low	80.2	Confident	133 Å²	133	74.5 Å²	74.5	71%	0.711	38%	0.384	S	S	*	.			trans	-71.7	57.2	-178.5	-121	-10.4	0	0	0	112.9	R87	D83-R87 VanDerWaalsContact CG-NH1 3.28Å; D83-R87 VanDerWaalsContact OD1-CD 3.31Å; D83-R87 WeakPolarHBondContact OD1-CD 3.29Å; D83-R87 IonicContact OD1-CZ 3.94Å; D83-R87 IonicContact OD1-NE 3.03Å; D83-R87 IonicContact OD1-NH1 3.94Å; D83-R87 PolarHBondContact OD1-NH1 3.35Å; D83-R87 IonicContact OD2-NH1 3.12Å
84	M	63.8	Low	79.9	Confident	107 Å²	107	74.9 Å²	74.9	53%	0.527	39%	0.386	S	S	.	.			trans	-79.5	158.2	172.6	-69.7	-69.2	-141.3	0	0	111	V82 E86 R87	V82-M84 HydrophobicContact CG1-CG 4.39Å; V82-M84 PolarHBondContact O-N 2.93Å; M84-E86 PolarHBondContact O-N 2.67Å; M84-R87 WeakPolarHBondContact O-CB 3.4Å; M84-R87 PolarHBondContact O-N 3.03Å
85	R	58.1	Low	79.4	Confident	222 Å²	222	75.1 Å²	75.1	84%	0.838	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-36.6	-177.6	-131.8	177.3	-174.6	176.6	-0.1	111.9	R87 G88	R85-R87 PolarHBondContact O-N 3.23Å; R85-G88 PolarHBondContact O-N 3.28Å
86	E	63.3	Low	79	Confident	70 Å²	70	80.2 Å²	80.2	33%	0.327	43%	0.425	S	S	.	.	H	α-helix	trans	-69.5	-16.3	-179.5	-64.4	75	-169.4	0	0	113	M79 M84 G88 V92	M79-E86 HydrophobicContact CG-CB 4.31Å; M79-E86 HydrophobicContact SD-CB 4.2Å; M84-E86 PolarHBondContact O-N 2.67Å; E86-G88 PolarHBondContact O-N 3.31Å; E86-V92 HydrophobicContact CG-CG2 4.41Å
87	R	61.7	Low	78.8	Confident	111 Å²	111	81.5 Å²	81.5	42%	0.419	43%	0.43	S	S	.	.	H	α-helix	trans	-57	-37.6	173	-171.3	-177.6	-176.9	-165.1	3.4	111.1	R66 D83 M84 R85	R66-R87 PolarHBondContact NH1-O 2.91Å; R66-R87 PolarHBondContact NH2-O 3.02Å; D83-R87 VanDerWaalsContact CG-NH1 3.28Å; D83-R87 VanDerWaalsContact OD1-CD 3.31Å; D83-R87 WeakPolarHBondContact OD1-CD 3.29Å; D83-R87 IonicContact OD1-CZ 3.94Å; D83-R87 IonicContact OD1-NE 3.03Å; D83-R87 IonicContact OD1-NH1 3.94Å; D83-R87 PolarHBondContact OD1-NH1 3.35Å; D83-R87 IonicContact OD2-NH1 3.12Å; M84-R87 WeakPolarHBondContact O-CB 3.4Å; M84-R87 PolarHBondContact O-N 3.03Å; R85-R87 PolarHBondContact O-N 3.23Å
88	G	61.5	Low	78.8	Confident	71 Å²	71	77.8 Å²	77.8	73%	0.732	42%	0.421	S	S	*	.	H	α-helix	trans	-95.7	-25	-176.8	0	0	0	0	0	115.8	R85 E86 G90	R85-G88 PolarHBondContact O-N 3.28Å; E86-G88 PolarHBondContact O-N 3.31Å; G88-G90 VanDerWaalsContact C-N 3.33Å; G88-G90 PolarHBondContact O-N 3.47Å
89	D	67.1	Low	78.9	Confident	120 Å²	120	74.8 Å²	74.8	64%	0.642	40%	0.403	S	S	*	.	H	α-helix	trans	-84.2	-0.5	-168.7	-118	-4.5	0	0	0	114.8	S91	D89-S91 PolarHBondContact O-N 3.27Å; D89-S91 PolarHBondContact O-OG 2.99Å
90	G	82.6	Confident	79.1	Confident	26 Å²	26	79.8 Å²	79.8	27%	0.268	43%	0.426	S	S	.	.	S	Bend	trans	63.6	1.6	176.1	0	0	0	0	0	115	F53 T54 G88	F53-G90 CarbonylContact C-O 3.55Å; F53-G90 VanDerWaalsContact CA-O 3.32Å; F53-G90 WeakPolarHBondContact CA-O 3.46Å; F53-G90 WeakPolarHBondContact CD2-O 3.17Å; T54-G90 PolarHBondContact N-O 3.31Å; G88-G90 VanDerWaalsContact C-N 3.33Å; G88-G90 PolarHBondContact O-N 3.47Å
91	S	89.4	Confident	79.4	Confident	43 Å²	43	78.5 Å²	78.5	30%	0.301	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	160.7	-177.5	58.9	0	0	0	0	111.9	T54 D89	T54-S91 CarbonylContact O-C 3.37Å; T54-S91 WeakPolarHBondContact O-CA 3.47Å; T54-S91 VanDerWaalsContact O-CB 3.28Å; T54-S91 WeakPolarHBondContact O-CB 3.39Å; D89-S91 PolarHBondContact O-N 3.27Å; D89-S91 PolarHBondContact O-OG 2.99Å
92	V	90.8	Very high	80	Confident	8 Å²	8	72.1 Å²	72.1	5%	0.048	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	140.6	172.9	64.5	0	0	0	0	110	F53 T54 I55 V56 F76 M79 E86 L94	F53-V92 HydrophobicContact CE1-CB 4.05Å; F53-V92 HydrophobicContact CE1-CG1 3.52Å; F53-V92 HydrophobicContact CZ-CB 3.8Å; F53-V92 HydrophobicContact CZ-CG1 3.82Å; T54-V92 PolarHBondContact O-N 3.33Å; I55-V92 HydrophobicContact CB-CG1 4.38Å; I55-V92 HydrophobicContact CG1-CG1 3.99Å; I55-V92 HydrophobicContact CG2-CG1 4.37Å; V56-V92 PolarHBondContact N-O 2.65Å; F76-V92 HydrophobicContact CE1-CG1 4.14Å; M79-V92 HydrophobicContact CE-CG2 3.84Å; M79-V92 HydrophobicContact SD-CB 4.33Å; M79-V92 HydrophobicContact SD-CG2 4.17Å; E86-V92 HydrophobicContact CG-CG2 4.41Å; V92-L94 HydrophobicContact CG1-CG 4.42Å; V92-L94 HydrophobicContact CG2-CD2 4.03Å
93	N	90.3	Very high	80.8	Confident	108 Å²	108	70.5 Å²	70.5	58%	0.578	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.8	174.6	-171.7	-11	0	0	0	110.9	V56 A95	V56-N93 CarbonylContact O-C 3.6Å; V56-N93 WeakPolarHBondContact O-CA 3.48Å; V56-N93 PolarHBondContact O-OD1 3.42Å; N93-A95 PolarHBondContact OD1-N 3.49Å; N93-A95 VanDerWaalsContact OD1-N 3.13Å
94	L	90.6	Very high	82.3	Confident	10 Å²	10	66 Å²	66	5%	0.052	36%	0.362	C	S	.	.			trans	-105.9	59.3	175.7	-58.8	-175.5	0	0	0	110.4	I55 V56 V57 F76 V92 N96 Q97 F130 L131	I55-L94 HydrophobicContact CG2-CD1 3.82Å; I55-L94 HydrophobicContact CG2-CG 4.19Å; V56-L94 PolarHBondContact O-N 3.14Å; V57-L94 HydrophobicContact CG2-CB 4.12Å; F76-L94 HydrophobicContact CZ-CD1 4.38Å; V92-L94 HydrophobicContact CG1-CG 4.42Å; V92-L94 HydrophobicContact CG2-CD2 4.03Å; L94-N96 PolarHBondContact O-N 3.01Å; L94-Q97 HydrophobicContact CB-CB 4.29Å; L94-Q97 HydrophobicContact CB-CG 3.96Å; L94-Q97 PolarHBondContact O-N 3.31Å; L94-Q97 VanDerWaalsContact O-N 3.08Å; L94-F130 HydrophobicContact CD2-CE1 3.96Å; L94-F130 HydrophobicContact CD2-CZ 4.32Å; L94-L131 HydrophobicContact CD1-CD2 4.21Å
95	A	82.3	Confident	83.8	Confident	55 Å²	55	61 Å²	61	46%	0.455	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.4	-169.5	0	0	0	0	0	115.4	N93 Q97	N93-A95 PolarHBondContact OD1-N 3.49Å; N93-A95 VanDerWaalsContact OD1-N 3.13Å; A95-Q97 VanDerWaalsContact C-N 3.35Å
96	N	84.3	Confident	85.5	Confident	156 Å²	156	50.5 Å²	50.5	83%	0.834	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	10.6	-177	-63.6	-17.1	0	0	0	113.7	L94	L94-N96 PolarHBondContact O-N 3.01Å
97	Q	90.4	Very high	87	Confident	26 Å²	26	50.9 Å²	50.9	12%	0.121	30%	0.302	C	S	.	.	S	Bend	trans	-105.8	158.2	-177.5	-59.4	-59	-31.5	0	0	112.2	V57 L94 A95 V102 L127	V57-Q97 HydrophobicContact CG1-CB 4.3Å; V57-Q97 WeakPolarHBondContact CG1-O 3.26Å; L94-Q97 HydrophobicContact CB-CB 4.29Å; L94-Q97 HydrophobicContact CB-CG 3.96Å; L94-Q97 PolarHBondContact O-N 3.31Å; L94-Q97 VanDerWaalsContact O-N 3.08Å; A95-Q97 VanDerWaalsContact C-N 3.35Å; Q97-V102 HydrophobicContact CB-CG2 4.13Å; Q97-L127 HydrophobicContact CB-CD1 4.35Å; Q97-L127 HydrophobicContact CG-CD1 4.05Å
98	C	90.7	Very high	88.5	Confident	34 Å²	34	47.1 Å²	47.1	23%	0.23	29%	0.289	C	S	.	.			trans	-84.6	124.6	176.3	165	0	0	0	0	110.2	E100 A101 V102	C98-E100 VanDerWaalsContact C-N 3.27Å; C98-E100 PolarHBondContact O-N 3.21Å; C98-E100 PolarHBondContact SG-OE2 3.38Å; C98-A101 HydrophobicContact CB-CB 4.03Å; C98-A101 PolarHBondContact O-N 2.89Å; C98-V102 PolarHBondContact O-N 3.2Å; C98-V102 VanDerWaalsContact O-N 3.08Å
99	P	92.9	Very high	90.1	Very high	10 Å²	10	43.9 Å²	43.9	7%	0.065	26%	0.255	C	S	.	.	H	α-helix	trans	-55.8	-38.4	179	-25.7	33.5	0	0	0	113.5	V57 H60 F62 V102 C103	V57-P99 HydrophobicContact CG1-CB 4.49Å; V57-P99 HydrophobicContact CG1-CG 3.93Å; H60-P99 HydrophobicContact CB-CB 4.45Å; F62-P99 HydrophobicContact CE2-CB 4.43Å; F62-P99 HydrophobicContact CZ-CB 4.13Å; P99-V102 PolarHBondContact O-N 3.46Å; P99-C103 WeakPolarHBondContact O-CB 3.43Å; P99-C103 PolarHBondContact O-N 2.8Å
100	E	92	Very high	91.3	Very high	125 Å²	125	38.3 Å²	38.3	58%	0.584	23%	0.225	S	C	*	.	H	α-helix	trans	-65.3	-40.1	179	-62.2	81.3	178.3	0	0	111.9	C98 C103 S104	C98-E100 VanDerWaalsContact C-N 3.27Å; C98-E100 PolarHBondContact O-N 3.21Å; C98-E100 PolarHBondContact SG-OE2 3.38Å; E100-C103 PolarHBondContact O-N 3.18Å; E100-S104 WeakPolarHBondContact O-CB 3.42Å; E100-S104 PolarHBondContact O-N 2.94Å; E100-S104 PolarHBondContact O-OG 3.04Å
101	A	93.3	Very high	91.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-43.1	175.7	0	0	0	0	0	111	C98 S104 F105 I123 L127	C98-A101 HydrophobicContact CB-CB 4.03Å; C98-A101 PolarHBondContact O-N 2.89Å; A101-S104 PolarHBondContact O-N 3.33Å; A101-F105 WeakPolarHBondContact O-CB 3.36Å; A101-F105 PolarHBondContact O-N 2.89Å; A101-I123 HydrophobicContact CB-CB 4.27Å; A101-I123 HydrophobicContact CB-CD1 4.25Å; A101-I123 HydrophobicContact CB-CG1 4.31Å; A101-L127 HydrophobicContact CB-CB 4.37Å; A101-L127 HydrophobicContact CB-CD2 3.77Å; A101-L127 WeakPolarHBondContact O-CD2 3.31Å
102	V	95	Very high	91.6	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-65.2	-40.6	177.6	174.3	0	0	0	0	111.2	I55 V57 F62 Q97 C98 P99 F105 L106 L127	I55-V102 HydrophobicContact CG2-CG1 4.11Å; V57-V102 HydrophobicContact CG2-CB 4.2Å; V57-V102 HydrophobicContact CG2-CG1 4.14Å; V57-V102 HydrophobicContact CG2-CG2 3.82Å; F62-V102 HydrophobicContact CD2-CG1 4.11Å; F62-V102 HydrophobicContact CE2-CG1 4.29Å; F62-V102 HydrophobicContact CG-CG1 4.46Å; Q97-V102 HydrophobicContact CB-CG2 4.13Å; C98-V102 PolarHBondContact O-N 3.2Å; C98-V102 VanDerWaalsContact O-N 3.08Å; P99-V102 PolarHBondContact O-N 3.46Å; V102-F105 PolarHBondContact O-N 2.9Å; V102-L106 HydrophobicContact CG1-CD1 4.25Å; V102-L106 WeakPolarHBondContact O-CG 3.36Å; V102-L106 PolarHBondContact O-N 3.39Å; V102-L127 HydrophobicContact CG2-CD1 3.96Å; V102-L127 HydrophobicContact CG2-CD2 4.02Å
103	C	93.6	Very high	91.5	Very high	44 Å²	44	45.4 Å²	45.4	30%	0.297	26%	0.262	S	S	.	.	H	α-helix	trans	-59.6	-47.6	173.3	-166.1	0	0	0	0	111.2	F62 P99 E100 F105 L106 D107	F62-C103 HydrophobicContact CE1-CB 3.99Å; F62-C103 HydrophobicContact CZ-CB 4.49Å; P99-C103 WeakPolarHBondContact O-CB 3.43Å; P99-C103 PolarHBondContact O-N 2.8Å; E100-C103 PolarHBondContact O-N 3.18Å; C103-F105 PolarHBondContact O-N 3.46Å; C103-L106 PolarHBondContact O-N 3.27Å; C103-D107 VanDerWaalsContact O-CG 3.3Å; C103-D107 PolarHBondContact O-N 2.88Å
104	S	94.1	Very high	91.6	Very high	39 Å²	39	42.8 Å²	42.8	27%	0.273	25%	0.247	S	C	.	.	H	α-helix	trans	-62.9	-40.7	178.3	-57.6	0	0	0	0	112.5	E100 A101 D107 F108	E100-S104 WeakPolarHBondContact O-CB 3.42Å; E100-S104 PolarHBondContact O-N 2.94Å; E100-S104 PolarHBondContact O-OG 3.04Å; A101-S104 PolarHBondContact O-N 3.33Å; S104-D107 PolarHBondContact O-N 2.81Å; S104-F108 WeakPolarHBondContact O-CB 3.34Å; S104-F108 PolarHBondContact O-N 3.29Å
105	F	95.5	Very high	91.7	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-43.8	173.1	159.5	-105.8	0	0	0	111.8	L69 F76 A101 V102 C103 F108 A109 L127 L131 V133	L69-F105 HydrophobicContact CD2-CE1 3.81Å; L69-F105 HydrophobicContact CD2-CZ 4.15Å; F76-F105 HydrophobicContact CE2-CE1 4.03Å; F76-F105 HydrophobicContact CE2-CZ 4.32Å; A101-F105 WeakPolarHBondContact O-CB 3.36Å; A101-F105 PolarHBondContact O-N 2.89Å; V102-F105 PolarHBondContact O-N 2.9Å; C103-F105 PolarHBondContact O-N 3.46Å; F105-F108 WeakPolarHBondContact O-CB 3.39Å; F105-F108 PolarHBondContact O-N 2.85Å; F105-A109 WeakPolarHBondContact O-CB 3.49Å; F105-A109 PolarHBondContact O-N 3.5Å; F105-L127 HydrophobicContact CB-CD2 3.73Å; F105-L127 HydrophobicContact CG-CD2 4.47Å; F105-L131 HydrophobicContact CD1-CD1 3.72Å; F105-L131 HydrophobicContact CD2-CD1 4.32Å; F105-L131 HydrophobicContact CE1-CD1 3.76Å; F105-L131 HydrophobicContact CE2-CD1 4.37Å; F105-L131 HydrophobicContact CG-CD1 4Å; F105-L131 HydrophobicContact CZ-CD1 4.09Å; F105-V133 HydrophobicContact CD2-CG2 4.09Å; F105-V133 HydrophobicContact CE2-CG2 3.56Å; F105-V133 HydrophobicContact CZ-CG2 4.38Å
106	L	95.1	Very high	92.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-64.6	-44.7	176.1	-70.7	170.4	0	0	0	110	R45 I55 F62 C64 L69 V102 C103 F108 A109 Y110	R45-L106 PolarHBondContact NH1-O 2.96Å; R45-L106 VanDerWaalsContact NH1-O 3.12Å; I55-L106 HydrophobicContact CD1-CD2 4.29Å; F62-L106 HydrophobicContact CB-CD1 3.66Å; F62-L106 HydrophobicContact CD1-CD1 4.03Å; F62-L106 HydrophobicContact CG-CD1 4.03Å; C64-L106 HydrophobicContact CB-CD2 4.22Å; L69-L106 HydrophobicContact CD2-CD2 3.82Å; V102-L106 HydrophobicContact CG1-CD1 4.25Å; V102-L106 WeakPolarHBondContact O-CG 3.36Å; V102-L106 PolarHBondContact O-N 3.39Å; C103-L106 PolarHBondContact O-N 3.27Å; L106-F108 PolarHBondContact O-N 3.49Å; L106-A109 PolarHBondContact O-N 3.43Å; L106-Y110 HydrophobicContact CD2-CE2 4.38Å; L106-Y110 VanDerWaalsContact O-CD2 3.23Å; L106-Y110 WeakPolarHBondContact O-CD2 3.27Å; L106-Y110 PolarHBondContact O-N 3.11Å
107	D	92.9	Very high	92.7	Very high	78 Å²	78	42.9 Å²	42.9	42%	0.417	24%	0.241	S	C	.	.	H	α-helix	trans	-57.9	-40.6	176.6	-69.1	-7.3	0	0	0	111.5	R45 C103 S104 Y110 S111	R45-D107 IonicContact CZ-OD1 2.85Å; R45-D107 VanDerWaalsContact NH1-N 3.19Å; R45-D107 IonicContact NH1-OD1 3.75Å; R45-D107 PolarHBondContact NH1-OD1 3.36Å; R45-D107 IonicContact NH2-OD1 2.6Å; R45-D107 PolarHBondContact NH2-OD1 2.97Å; C103-D107 VanDerWaalsContact O-CG 3.3Å; C103-D107 PolarHBondContact O-N 2.88Å; S104-D107 PolarHBondContact O-N 2.81Å; D107-Y110 PolarHBondContact O-N 2.83Å; D107-S111 WeakPolarHBondContact O-CB 3.36Å; D107-S111 PolarHBondContact O-N 2.58Å; D107-S111 PolarHBondContact O-OG 3.13Å
108	F	94.5	Very high	92.7	Very high	32 Å²	32	47.2 Å²	47.2	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-47.7	170	173	-107.7	0	0	0	112.7	S104 F105 L106 Y110 S111 G112 I114 V133 V135 L136	S104-F108 WeakPolarHBondContact O-CB 3.34Å; S104-F108 PolarHBondContact O-N 3.29Å; F105-F108 WeakPolarHBondContact O-CB 3.39Å; F105-F108 PolarHBondContact O-N 2.85Å; L106-F108 PolarHBondContact O-N 3.49Å; F108-Y110 PolarHBondContact O-N 3.22Å; F108-S111 PolarHBondContact O-N 2.8Å; F108-G112 WeakPolarHBondContact O-CA 3.42Å; F108-G112 PolarHBondContact O-N 2.83Å; F108-I114 HydrophobicContact CB-CB 4.1Å; F108-I114 HydrophobicContact CB-CD1 4.18Å; F108-I114 HydrophobicContact CD2-CB 3.95Å; F108-I114 HydrophobicContact CD2-CG2 3.79Å; F108-I114 HydrophobicContact CE2-CG2 4.32Å; F108-I114 HydrophobicContact CG-CB 4.35Å; F108-I114 HydrophobicContact CG-CG2 4.4Å; F108-V133 HydrophobicContact CE1-CG1 4.06Å; F108-V135 HydrophobicContact CZ-CG1 4.45Å; F108-L136 HydrophobicContact CD1-CD2 4.47Å; F108-L136 HydrophobicContact CE1-CB 4.39Å
109	A	94.1	Very high	92.7	Very high	4 Å²	4	49.1 Å²	49.1	3%	0.033	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-29.7	-178.5	0	0	0	0	0	113.2	V68 C72 F105 L106	V68-A109 HydrophobicContact CG1-CB 4.05Å; C72-A109 HydrophobicContact CB-CB 4.32Å; F105-A109 WeakPolarHBondContact O-CB 3.49Å; F105-A109 PolarHBondContact O-N 3.5Å; L106-A109 PolarHBondContact O-N 3.43Å
110	Y	93.4	Very high	92.7	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.012	30%	0.296	C	S	.	.	H	α-helix	trans	-99.4	-15.8	178.8	-71.2	-88.6	0	0	0	114.6	L38 L41 R45 H65 V68 L106 D107 F108	L38-Y110 WeakPolarHBondContact CD1-O 3.47Å; L38-Y110 WeakPolarHBondContact CG-O 3.41Å; L41-Y110 HydrophobicContact CB-CD1 4.21Å; L41-Y110 HydrophobicContact CB-CE1 4.44Å; R45-Y110 HydrophobicContact CB-CD1 4.12Å; R45-Y110 HydrophobicContact CB-CE1 4.1Å; R45-Y110 HydrophobicContact CB-CG 4.47Å; H65-Y110 PolarHBondContact N-OH 3.01Å; H65-Y110 AromaticContact ND1-CE1 3.45Å; H65-Y110 WeakPolarHBondContact ND1-CE1 3.06Å; H65-Y110 AromaticContact ND1-CZ 3.51Å; H65-Y110 PolarHBondContact ND1-OH 3.32Å; V68-Y110 HydrophobicContact CB-CE1 4.15Å; V68-Y110 HydrophobicContact CG1-CD1 4.28Å; V68-Y110 HydrophobicContact CG1-CD2 4.29Å; V68-Y110 HydrophobicContact CG1-CE1 3.95Å; V68-Y110 HydrophobicContact CG1-CE2 3.93Å; V68-Y110 HydrophobicContact CG1-CG 4.45Å; V68-Y110 HydrophobicContact CG2-CD1 4.49Å; V68-Y110 HydrophobicContact CG2-CE1 3.75Å; L106-Y110 HydrophobicContact CD2-CE2 4.38Å; L106-Y110 VanDerWaalsContact O-CD2 3.23Å; L106-Y110 WeakPolarHBondContact O-CD2 3.27Å; L106-Y110 PolarHBondContact O-N 3.11Å; D107-Y110 PolarHBondContact O-N 2.83Å; F108-Y110 PolarHBondContact O-N 3.22Å
111	S	89.8	Confident	92.8	Very high	30 Å²	30	44.4 Å²	44.4	21%	0.21	27%	0.269	C	S	.	.	H	α-helix	trans	-109.7	-26.3	-179.7	69.6	0	0	0	0	113.9	D107 F108 E113	D107-S111 WeakPolarHBondContact O-CB 3.36Å; D107-S111 PolarHBondContact O-N 2.58Å; D107-S111 PolarHBondContact O-OG 3.13Å; F108-S111 PolarHBondContact O-N 2.8Å; S111-E113 PolarHBondContact OG-N 3.45Å; S111-E113 VanDerWaalsContact OG-N 3.09Å; S111-E113 PolarHBondContact OG-O 2.93Å
112	G	87.5	Confident	92.7	Very high	46 Å²	46	47.9 Å²	47.9	47%	0.474	29%	0.287	S	S	.	.	S	Bend	trans	75.7	4	-168.8	0	0	0	0	0	114	F108	F108-G112 WeakPolarHBondContact O-CA 3.42Å; F108-G112 PolarHBondContact O-N 2.83Å
113	E	89.3	Confident	92.6	Very high	150 Å²	150	50.6 Å²	50.6	70%	0.701	30%	0.301	S	S	*	.			trans	-127.1	142.3	-174	-64.5	179.5	175.4	0	0	110.7	S111	S111-E113 PolarHBondContact OG-N 3.45Å; S111-E113 VanDerWaalsContact OG-N 3.09Å; S111-E113 PolarHBondContact OG-O 2.93Å
114	I	92.8	Very high	92.7	Very high	53 Å²	53	48.6 Å²	48.6	27%	0.272	29%	0.288	S	S	.	.			trans	-151.6	142.1	174.2	-169	165	0	0	0	109.7	F108 L124 L136	F108-I114 HydrophobicContact CB-CB 4.1Å; F108-I114 HydrophobicContact CB-CD1 4.18Å; F108-I114 HydrophobicContact CD2-CB 3.95Å; F108-I114 HydrophobicContact CD2-CG2 3.79Å; F108-I114 HydrophobicContact CE2-CG2 4.32Å; F108-I114 HydrophobicContact CG-CB 4.35Å; F108-I114 HydrophobicContact CG-CG2 4.4Å; I114-L124 HydrophobicContact CD1-CD1 3.9Å; I114-L124 HydrophobicContact CD1-CD2 3.93Å; I114-L124 HydrophobicContact CG1-CD1 4.43Å; I114-L136 HydrophobicContact CD1-CD1 4.11Å; I114-L136 HydrophobicContact CD1-CD2 4.32Å; I114-L136 HydrophobicContact CG2-CD1 3.79Å
115	L	92.3	Very high	92.7	Very high	136 Å²	136	46.7 Å²	46.7	71%	0.712	28%	0.275	S	S	*	.			trans	-97.6	115.4	175.6	-178.6	66	0	0	0	109.5	T117 N120	L115-T117 HydrophobicContact CD2-CG2 4.17Å; L115-T117 HydrophobicContact CG-CG2 3.95Å; L115-N120 PolarHBondContact O-ND2 3.19Å
116	I	94.3	Very high	92.6	Very high	31 Å²	31	49.5 Å²	49.5	16%	0.159	29%	0.288	C	S	.	.			trans	-93.3	131.8	174.2	-57.6	172.5	0	0	0	108.4	V121 L124 L136 A139 F143	I116-V121 HydrophobicContact CG2-CB 3.83Å; I116-V121 HydrophobicContact CG2-CG2 3.8Å; I116-L124 HydrophobicContact CG1-CD1 4.46Å; I116-L136 HydrophobicContact CD1-CD1 4.49Å; I116-A139 HydrophobicContact CD1-CB 3.75Å; I116-F143 HydrophobicContact CB-CD2 4.48Å; I116-F143 HydrophobicContact CG2-CB 4.06Å; I116-F143 HydrophobicContact CG2-CD1 4.11Å; I116-F143 HydrophobicContact CG2-CD2 3.9Å; I116-F143 HydrophobicContact CG2-CE2 4.38Å; I116-F143 HydrophobicContact CG2-CG 3.75Å
117	T	93.7	Very high	92.6	Very high	56 Å²	56	49.6 Å²	49.6	34%	0.344	29%	0.288	S	S	.	.			trans	-137.2	163.2	-179.7	70.8	0	0	0	0	109.9	L115 G119 N120 V121	L115-T117 HydrophobicContact CD2-CG2 4.17Å; L115-T117 HydrophobicContact CG-CG2 3.95Å; T117-G119 PolarHBondContact O-N 3.04Å; T117-G119 VanDerWaalsContact O-N 3.11Å; T117-N120 PolarHBondContact N-OD1 2.94Å; T117-N120 PolarHBondContact O-N 3.26Å; T117-N120 VanDerWaalsContact O-N 3.1Å; T117-N120 PolarHBondContact O-OD1 3.47Å; T117-N120 VanDerWaalsContact O-OD1 3.06Å; T117-N120 PolarHBondContact OG1-OD1 2.81Å; T117-V121 WeakPolarHBondContact O-CB 3.41Å; T117-V121 PolarHBondContact O-N 3.43Å
118	D	90.1	Very high	92.7	Very high	116 Å²	116	45.9 Å²	45.9	62%	0.62	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.9	177.5	-56.8	-55.4	0	0	0	113	F143	D118-F143 WeakPolarHBondContact OD1-CE1 3.34Å; D118-F143 WeakPolarHBondContact OD1-CZ 3.34Å
119	G	90.1	Very high	92.7	Very high	74 Å²	74	45.5 Å²	45.5	76%	0.763	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-16.3	-179.2	0	0	0	0	0	114.9	T117	T117-G119 PolarHBondContact O-N 3.04Å; T117-G119 VanDerWaalsContact O-N 3.11Å
120	N	92.8	Very high	92.7	Very high	32 Å²	32	49 Å²	49	17%	0.171	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-12.7	-176.7	75.5	10.7	0	0	0	114.3	L115 T117 D122 I123 L124	L115-N120 PolarHBondContact O-ND2 3.19Å; T117-N120 PolarHBondContact N-OD1 2.94Å; T117-N120 PolarHBondContact O-N 3.26Å; T117-N120 VanDerWaalsContact O-N 3.1Å; T117-N120 PolarHBondContact O-OD1 3.47Å; T117-N120 VanDerWaalsContact O-OD1 3.06Å; T117-N120 PolarHBondContact OG1-OD1 2.81Å; N120-D122 VanDerWaalsContact C-N 3.34Å; N120-D122 PolarHBondContact O-N 3.08Å; N120-I123 HydrophobicContact CB-CD1 4.48Å; N120-I123 HydrophobicContact CB-CG1 4.47Å; N120-I123 WeakPolarHBondContact O-CG1 3.4Å; N120-I123 PolarHBondContact O-N 3.05Å; N120-L124 HydrophobicContact CB-CD1 4.19Å; N120-L124 HydrophobicContact CB-CG 4.41Å; N120-L124 WeakPolarHBondContact O-CB 3.41Å; N120-L124 VanDerWaalsContact O-CG 3.24Å; N120-L124 WeakPolarHBondContact O-CG 3.21Å; N120-L124 PolarHBondContact O-N 3.15Å; N120-L124 WeakPolarHBondContact OD1-CD1 3.48Å
121	V	94.3	Very high	92.7	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.024	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-40.3	-171.6	62.2	0	0	0	0	112.6	I116 T117 L124 F125 C140 F143 L144	I116-V121 HydrophobicContact CG2-CB 3.83Å; I116-V121 HydrophobicContact CG2-CG2 3.8Å; T117-V121 WeakPolarHBondContact O-CB 3.41Å; T117-V121 PolarHBondContact O-N 3.43Å; V121-L124 PolarHBondContact O-N 3.21Å; V121-F125 WeakPolarHBondContact O-CB 3.12Å; V121-F125 PolarHBondContact O-N 3.38Å; V121-C140 HydrophobicContact CG2-CB 4.08Å; V121-F143 HydrophobicContact CB-CD1 3.99Å; V121-F143 HydrophobicContact CB-CE1 4.26Å; V121-F143 HydrophobicContact CG1-CD1 4.11Å; V121-F143 HydrophobicContact CG1-CE1 4.1Å; V121-F143 HydrophobicContact CG2-CB 4.35Å; V121-F143 HydrophobicContact CG2-CD1 3.77Å; V121-F143 HydrophobicContact CG2-CG 4.35Å; V121-L144 HydrophobicContact CB-CD2 4.25Å; V121-L144 HydrophobicContact CG1-CD2 3.59Å; V121-L144 HydrophobicContact CG2-CD1 4.24Å; V121-L144 HydrophobicContact CG2-CD2 3.65Å; V121-L144 HydrophobicContact CG2-CG 3.66Å
122	D	91.8	Very high	92.9	Very high	74 Å²	74	52.1 Å²	52.1	40%	0.396	30%	0.296	S	S	.	.	H	α-helix	trans	-62.1	-55.5	-179.7	-63.8	-30.4	0	0	0	110.7	N120 L124 F125 Q126	N120-D122 VanDerWaalsContact C-N 3.34Å; N120-D122 PolarHBondContact O-N 3.08Å; D122-L124 VanDerWaalsContact C-N 3.29Å; D122-L124 PolarHBondContact O-N 2.91Å; D122-F125 PolarHBondContact O-N 3.08Å; D122-Q126 WeakPolarHBondContact O-CG 3.33Å; D122-Q126 PolarHBondContact O-N 3.18Å
123	I	93.1	Very high	93.3	Very high	59 Å²	59	50.1 Å²	50.1	30%	0.303	27%	0.274	S	S	.	.	H	α-helix	trans	-63.1	-34.8	-179.3	59.3	173.6	0	0	0	112.4	A101 N120 L127	A101-I123 HydrophobicContact CB-CB 4.27Å; A101-I123 HydrophobicContact CB-CD1 4.25Å; A101-I123 HydrophobicContact CB-CG1 4.31Å; N120-I123 HydrophobicContact CB-CD1 4.48Å; N120-I123 HydrophobicContact CB-CG1 4.47Å; N120-I123 WeakPolarHBondContact O-CG1 3.4Å; N120-I123 PolarHBondContact O-N 3.05Å; I123-L127 VanDerWaalsContact O-CB 3.31Å; I123-L127 WeakPolarHBondContact O-CB 3.2Å; I123-L127 PolarHBondContact O-N 3.29Å
124	L	95.3	Very high	93.4	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-70.5	-41.5	176.1	-72.7	179.8	0	0	0	111.6	I114 I116 N120 V121 D122 L127 A128	I114-L124 HydrophobicContact CD1-CD1 3.9Å; I114-L124 HydrophobicContact CD1-CD2 3.93Å; I114-L124 HydrophobicContact CG1-CD1 4.43Å; I116-L124 HydrophobicContact CG1-CD1 4.46Å; N120-L124 HydrophobicContact CB-CD1 4.19Å; N120-L124 HydrophobicContact CB-CG 4.41Å; N120-L124 WeakPolarHBondContact O-CB 3.41Å; N120-L124 VanDerWaalsContact O-CG 3.24Å; N120-L124 WeakPolarHBondContact O-CG 3.21Å; N120-L124 PolarHBondContact O-N 3.15Å; N120-L124 WeakPolarHBondContact OD1-CD1 3.48Å; V121-L124 PolarHBondContact O-N 3.21Å; D122-L124 VanDerWaalsContact C-N 3.29Å; D122-L124 PolarHBondContact O-N 2.91Å; L124-L127 PolarHBondContact O-N 2.95Å; L124-A128 WeakPolarHBondContact O-CB 3.11Å; L124-A128 PolarHBondContact O-N 3.48Å
125	F	94.8	Very high	93.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-45.3	177.3	179.5	-107.6	0	0	0	111.4	V121 D122 A128 S129 C140 L144 L159 Y163 L168	V121-F125 WeakPolarHBondContact O-CB 3.12Å; V121-F125 PolarHBondContact O-N 3.38Å; D122-F125 PolarHBondContact O-N 3.08Å; F125-A128 PolarHBondContact O-N 2.8Å; F125-S129 VanDerWaalsContact O-CB 3.27Å; F125-S129 WeakPolarHBondContact O-CB 3.5Å; F125-S129 PolarHBondContact O-N 2.9Å; F125-S129 PolarHBondContact O-OG 3.31Å; F125-C140 HydrophobicContact CB-CB 3.79Å; F125-C140 HydrophobicContact CD2-CB 3.79Å; F125-C140 HydrophobicContact CG-CB 4.26Å; F125-L144 HydrophobicContact CB-CD1 4.3Å; F125-L144 HydrophobicContact CD1-CD1 4.27Å; F125-L144 HydrophobicContact CD2-CD1 4.32Å; F125-L144 HydrophobicContact CG-CD1 4.03Å; F125-L159 HydrophobicContact CD1-CD1 4.37Å; F125-L159 HydrophobicContact CD1-CD2 3.84Å; F125-L159 HydrophobicContact CD1-CG 3.91Å; F125-L159 HydrophobicContact CE1-CD2 4.23Å; F125-L159 HydrophobicContact CE1-CG 3.96Å; F125-Y163 HydrophobicContact CE1-CD2 4.46Å; F125-Y163 HydrophobicContact CE1-CG 4.44Å; F125-L168 HydrophobicContact CE1-CD2 4.29Å; F125-L168 HydrophobicContact CZ-CD2 4.1Å
126	Q	93.3	Very high	93.4	Very high	60 Å²	60	43 Å²	43	28%	0.28	25%	0.251	S	S	.	.	H	α-helix	trans	-58.9	-50.2	176.1	-66.5	-178.7	6.5	0	0	111	D122 S129 F130 L159 Y163	D122-Q126 WeakPolarHBondContact O-CG 3.33Å; D122-Q126 PolarHBondContact O-N 3.18Å; Q126-S129 PolarHBondContact O-N 2.94Å; Q126-F130 VanDerWaalsContact O-CB 3.3Å; Q126-F130 WeakPolarHBondContact O-CB 3.35Å; Q126-F130 PolarHBondContact O-N 3.37Å; Q126-L159 HydrophobicContact CG-CD1 4.03Å; Q126-Y163 HydrophobicContact CB-CE1 3.79Å; Q126-Y163 HydrophobicContact CB-CE2 4.18Å; Q126-Y163 HydrophobicContact CG-CD2 4.2Å; Q126-Y163 HydrophobicContact CG-CE1 4.04Å; Q126-Y163 HydrophobicContact CG-CE2 3.47Å; Q126-Y163 VanDerWaalsContact CG-CE2 3.47Å; Q126-Y163 WeakPolarHBondContact CG-OH 3.24Å; Q126-Y163 PolarHBondContact OE1-OH 3.44Å
127	L	94.9	Very high	93.4	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-45.4	179.7	-177.6	69.3	0	0	0	112	Q97 A101 V102 F105 I123 L124 S129 F130 L131	Q97-L127 HydrophobicContact CB-CD1 4.35Å; Q97-L127 HydrophobicContact CG-CD1 4.05Å; A101-L127 HydrophobicContact CB-CB 4.37Å; A101-L127 HydrophobicContact CB-CD2 3.77Å; A101-L127 WeakPolarHBondContact O-CD2 3.31Å; V102-L127 HydrophobicContact CG2-CD1 3.96Å; V102-L127 HydrophobicContact CG2-CD2 4.02Å; F105-L127 HydrophobicContact CB-CD2 3.73Å; F105-L127 HydrophobicContact CG-CD2 4.47Å; I123-L127 VanDerWaalsContact O-CB 3.31Å; I123-L127 WeakPolarHBondContact O-CB 3.2Å; I123-L127 PolarHBondContact O-N 3.29Å; L124-L127 PolarHBondContact O-N 2.95Å; L127-S129 VanDerWaalsContact C-N 3.3Å; L127-S129 PolarHBondContact O-N 3.06Å; L127-F130 PolarHBondContact O-N 3.18Å; L127-L131 HydrophobicContact CD1-CD1 3.68Å; L127-L131 HydrophobicContact CD1-CG 3.86Å; L127-L131 HydrophobicContact CD2-CD1 4.3Å; L127-L131 HydrophobicContact CG-CD1 3.8Å; L127-L131 HydrophobicContact CG-CG 4.2Å; L127-L131 WeakPolarHBondContact O-CB 3.24Å; L127-L131 WeakPolarHBondContact O-CG 3.48Å; L127-L131 PolarHBondContact O-N 2.77Å
128	A	95.3	Very high	93.4	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-64.9	-36.7	-178.6	0	0	0	0	0	111.9	L124 F125 Q132 V133 L136	L124-A128 WeakPolarHBondContact O-CB 3.11Å; L124-A128 PolarHBondContact O-N 3.48Å; F125-A128 PolarHBondContact O-N 2.8Å; A128-Q132 WeakPolarHBondContact O-CA 3.3Å; A128-Q132 PolarHBondContact O-N 3.48Å; A128-V133 HydrophobicContact CB-CB 4.42Å; A128-V133 PolarHBondContact O-N 3.46Å; A128-L136 HydrophobicContact CB-CB 3.9Å; A128-L136 HydrophobicContact CB-CD2 3.87Å; A128-L136 HydrophobicContact CB-CG 3.66Å
129	S	93.9	Very high	93.6	Very high	24 Å²	24	44.9 Å²	44.9	17%	0.168	25%	0.253	C	S	.	.	H	α-helix	trans	-71.8	-42.4	175.9	-55	0	0	0	0	110.9	F125 Q126 L127 Q132 S137	F125-S129 VanDerWaalsContact O-CB 3.27Å; F125-S129 WeakPolarHBondContact O-CB 3.5Å; F125-S129 PolarHBondContact O-N 2.9Å; F125-S129 PolarHBondContact O-OG 3.31Å; Q126-S129 PolarHBondContact O-N 2.94Å; L127-S129 VanDerWaalsContact C-N 3.3Å; L127-S129 PolarHBondContact O-N 3.06Å; S129-Q132 PolarHBondContact O-N 3.05Å; S129-S137 PolarHBondContact OG-OG 3.32Å
130	F	93.2	Very high	93.8	Very high	77 Å²	77	41.4 Å²	41.4	34%	0.338	22%	0.216	S	C	.	.	H	α-helix	trans	-61.8	-48.7	174.8	174	-98.4	0	0	0	112.7	F75 L94 Q126 L127 Q132	F75-F130 HydrophobicContact CE2-CE1 4.45Å; F75-F130 HydrophobicContact CE2-CZ 4.17Å; F75-F130 HydrophobicContact CZ-CE1 4.29Å; F75-F130 HydrophobicContact CZ-CZ 4.2Å; L94-F130 HydrophobicContact CD2-CE1 3.96Å; L94-F130 HydrophobicContact CD2-CZ 4.32Å; Q126-F130 VanDerWaalsContact O-CB 3.3Å; Q126-F130 WeakPolarHBondContact O-CB 3.35Å; Q126-F130 PolarHBondContact O-N 3.37Å; L127-F130 PolarHBondContact O-N 3.18Å; F130-Q132 PolarHBondContact O-N 3.45Å
131	L	94.1	Very high	94	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-1.6	177.9	-64.9	-176.5	0	0	0	112.9	S73 F75 F76 L94 F105 L127 V133	S73-L131 WeakPolarHBondContact CB-O 3.23Å; S73-L131 PolarHBondContact OG-O 2.95Å; F75-L131 VanDerWaalsContact CB-O 3.27Å; F75-L131 WeakPolarHBondContact CB-O 3.34Å; F75-L131 HydrophobicContact CD1-CD2 3.81Å; F75-L131 HydrophobicContact CE1-CD2 4.18Å; F75-L131 HydrophobicContact CG-CD2 4.38Å; F75-L131 PolarHBondContact N-O 3.46Å; F76-L131 HydrophobicContact CE2-CD1 4.09Å; F76-L131 HydrophobicContact CE2-CD2 3.72Å; F76-L131 HydrophobicContact CE2-CG 4.44Å; F76-L131 HydrophobicContact CZ-CD2 3.88Å; L94-L131 HydrophobicContact CD1-CD2 4.21Å; F105-L131 HydrophobicContact CD1-CD1 3.72Å; F105-L131 HydrophobicContact CD2-CD1 4.32Å; F105-L131 HydrophobicContact CE1-CD1 3.76Å; F105-L131 HydrophobicContact CE2-CD1 4.37Å; F105-L131 HydrophobicContact CG-CD1 4Å; F105-L131 HydrophobicContact CZ-CD1 4.09Å; L127-L131 HydrophobicContact CD1-CD1 3.68Å; L127-L131 HydrophobicContact CD1-CG 3.86Å; L127-L131 HydrophobicContact CD2-CD1 4.3Å; L127-L131 HydrophobicContact CG-CD1 3.8Å; L127-L131 HydrophobicContact CG-CG 4.2Å; L127-L131 WeakPolarHBondContact O-CB 3.24Å; L127-L131 WeakPolarHBondContact O-CG 3.48Å; L127-L131 PolarHBondContact O-N 2.77Å; L131-V133 HydrophobicContact CB-CG2 3.94Å
132	Q	94.4	Very high	94	Very high	98 Å²	98	43.9 Å²	43.9	46%	0.458	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	61.6	-178.4	-56	177.7	10.8	0	0	111.7	D74 A128 S129 F130 P134	D74-Q132 HydrophobicContact CB-CB 3.86Å; D74-Q132 PolarHBondContact N-O 2.95Å; D74-Q132 VanDerWaalsContact N-O 3.11Å; A128-Q132 WeakPolarHBondContact O-CA 3.3Å; A128-Q132 PolarHBondContact O-N 3.48Å; S129-Q132 PolarHBondContact O-N 3.05Å; F130-Q132 PolarHBondContact O-N 3.45Å; Q132-P134 WeakPolarHBondContact O-CD 3.35Å
133	V	95.6	Very high	94.1	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.018	22%	0.223	C	C	.	.			trans	-108.1	89	175.7	-176	0	0	0	0	107.7	F105 F108 A128 L131 V135 L136 S137	F105-V133 HydrophobicContact CD2-CG2 4.09Å; F105-V133 HydrophobicContact CE2-CG2 3.56Å; F105-V133 HydrophobicContact CZ-CG2 4.38Å; F108-V133 HydrophobicContact CE1-CG1 4.06Å; A128-V133 HydrophobicContact CB-CB 4.42Å; A128-V133 PolarHBondContact O-N 3.46Å; L131-V133 HydrophobicContact CB-CG2 3.94Å; V133-V135 VanDerWaalsContact C-N 3.34Å; V133-V135 PolarHBondContact O-N 3.15Å; V133-L136 HydrophobicContact CB-CB 4.23Å; V133-L136 HydrophobicContact CG1-CB 3.67Å; V133-L136 PolarHBondContact O-N 3.4Å; V133-S137 WeakPolarHBondContact O-CB 3.27Å; V133-S137 PolarHBondContact O-N 2.94Å
134	P	90.8	Very high	94.2	Very high	81 Å²	81	40.5 Å²	40.5	53%	0.526	21%	0.21	S	C	.	.	H	α-helix	trans	-62.9	-37.4	-165.1	-25.4	35.8	0	0	0	113.8	Q132 R138	Q132-P134 WeakPolarHBondContact O-CD 3.35Å; P134-R138 WeakPolarHBondContact O-CB 3.42Å; P134-R138 PolarHBondContact O-N 2.84Å
135	V	92.4	Very high	94.2	Very high	107 Å²	107	42.5 Å²	42.5	65%	0.648	22%	0.222	S	C	*	.	H	α-helix	trans	-64.1	-43.5	179.8	179.5	0	0	0	0	110.9	F108 V133 A139	F108-V135 HydrophobicContact CZ-CG1 4.45Å; V133-V135 VanDerWaalsContact C-N 3.34Å; V133-V135 PolarHBondContact O-N 3.15Å; V135-A139 WeakPolarHBondContact O-CB 3.17Å; V135-A139 PolarHBondContact O-N 2.89Å
136	L	93.9	Very high	94.2	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-74.2	-44.4	-179.4	-177	55.7	0	0	0	111.5	F108 I114 I116 A128 V133 R138 A139 C140	F108-L136 HydrophobicContact CD1-CD2 4.47Å; F108-L136 HydrophobicContact CE1-CB 4.39Å; I114-L136 HydrophobicContact CD1-CD1 4.11Å; I114-L136 HydrophobicContact CD1-CD2 4.32Å; I114-L136 HydrophobicContact CG2-CD1 3.79Å; I116-L136 HydrophobicContact CD1-CD1 4.49Å; A128-L136 HydrophobicContact CB-CB 3.9Å; A128-L136 HydrophobicContact CB-CD2 3.87Å; A128-L136 HydrophobicContact CB-CG 3.66Å; V133-L136 HydrophobicContact CB-CB 4.23Å; V133-L136 HydrophobicContact CG1-CB 3.67Å; V133-L136 PolarHBondContact O-N 3.4Å; L136-R138 VanDerWaalsContact C-N 3.29Å; L136-R138 PolarHBondContact O-N 2.98Å; L136-A139 PolarHBondContact O-N 3.42Å; L136-C140 WeakPolarHBondContact O-CB 3.15Å; L136-C140 PolarHBondContact O-N 2.8Å; L136-C140 PolarHBondContact O-SG 3.2Å; L136-C140 VanDerWaalsContact O-SG 3.38Å
137	S	93.9	Very high	94.2	Very high	24 Å²	24	45.4 Å²	45.4	17%	0.168	26%	0.257	C	S	.	.	H	α-helix	trans	-58.4	-42.7	176.4	177.4	0	0	0	0	111.2	S129 V133 S141	S129-S137 PolarHBondContact OG-OG 3.32Å; V133-S137 WeakPolarHBondContact O-CB 3.27Å; V133-S137 PolarHBondContact O-N 2.94Å; S137-S141 WeakPolarHBondContact O-CB 3.28Å; S137-S141 PolarHBondContact O-N 3.35Å
138	R	93.6	Very high	94.2	Very high	179 Å²	179	46.5 Å²	46.5	68%	0.675	26%	0.263	S	S	*	.	H	α-helix	trans	-63.9	-47.5	174.4	-174.6	175	-177.2	161.2	4.5	112.5	P134 L136 C140 S141 D142	P134-R138 WeakPolarHBondContact O-CB 3.42Å; P134-R138 PolarHBondContact O-N 2.84Å; L136-R138 VanDerWaalsContact C-N 3.29Å; L136-R138 PolarHBondContact O-N 2.98Å; R138-C140 VanDerWaalsContact C-N 3.32Å; R138-C140 PolarHBondContact O-N 3.13Å; R138-S141 WeakPolarHBondContact O-CB 3.42Å; R138-S141 PolarHBondContact O-N 3.14Å; R138-S141 VanDerWaalsContact O-N 3.15Å; R138-D142 VanDerWaalsContact O-CG 3.26Å; R138-D142 PolarHBondContact O-N 2.94Å
139	A	94	Very high	94.3	Very high	39 Å²	39	49.9 Å²	49.9	32%	0.322	28%	0.281	S	S	.	.	H	α-helix	trans	-61.1	-40.5	179.2	0	0	0	0	0	112.4	I116 V135 L136 F143	I116-A139 HydrophobicContact CD1-CB 3.75Å; V135-A139 WeakPolarHBondContact O-CB 3.17Å; V135-A139 PolarHBondContact O-N 2.89Å; L136-A139 PolarHBondContact O-N 3.42Å; A139-F143 PolarHBondContact O-N 3.34Å; A139-F143 VanDerWaalsContact O-N 3.09Å
140	C	95.4	Very high	94.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.6	-43.7	173.1	-68.9	0	0	0	0	111.6	V121 F125 L136 R138 D142 F143 L144	V121-C140 HydrophobicContact CG2-CB 4.08Å; F125-C140 HydrophobicContact CB-CB 3.79Å; F125-C140 HydrophobicContact CD2-CB 3.79Å; F125-C140 HydrophobicContact CG-CB 4.26Å; L136-C140 WeakPolarHBondContact O-CB 3.15Å; L136-C140 PolarHBondContact O-N 2.8Å; L136-C140 PolarHBondContact O-SG 3.2Å; L136-C140 VanDerWaalsContact O-SG 3.38Å; R138-C140 VanDerWaalsContact C-N 3.32Å; R138-C140 PolarHBondContact O-N 3.13Å; C140-D142 PolarHBondContact O-N 2.98Å; C140-F143 WeakPolarHBondContact O-CB 3.12Å; C140-F143 PolarHBondContact O-N 3.1Å; C140-L144 VanDerWaalsContact O-CG 3.28Å; C140-L144 WeakPolarHBondContact O-CG 3.49Å; C140-L144 PolarHBondContact O-N 3.42Å
141	S	95.1	Very high	94.3	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-58.4	-45.9	175.5	-174.4	0	0	0	0	111.8	S137 R138 F143 L144 V145	S137-S141 WeakPolarHBondContact O-CB 3.28Å; S137-S141 PolarHBondContact O-N 3.35Å; R138-S141 WeakPolarHBondContact O-CB 3.42Å; R138-S141 PolarHBondContact O-N 3.14Å; R138-S141 VanDerWaalsContact O-N 3.15Å; S141-F143 VanDerWaalsContact C-N 3.3Å; S141-F143 PolarHBondContact O-N 3.06Å; S141-L144 PolarHBondContact O-N 3.26Å; S141-V145 VanDerWaalsContact O-CG2 3.32Å; S141-V145 WeakPolarHBondContact O-CG2 3.42Å; S141-V145 PolarHBondContact O-N 3.09Å
142	D	94.3	Very high	94.3	Very high	86 Å²	86	53.3 Å²	53.3	46%	0.46	31%	0.306	S	S	.	.	H	α-helix	trans	-63.7	-37.7	179.3	-66.8	-17.9	0	0	0	111.1	R138 C140 G146	R138-D142 VanDerWaalsContact O-CG 3.26Å; R138-D142 PolarHBondContact O-N 2.94Å; C140-D142 PolarHBondContact O-N 2.98Å; D142-G146 PolarHBondContact O-N 3.43Å; D142-G146 VanDerWaalsContact O-N 3.13Å
143	F	95.1	Very high	94.3	Very high	59 Å²	59	48.7 Å²	48.7	26%	0.259	28%	0.284	S	S	.	.	H	α-helix	trans	-63.9	-48.2	173.6	-174.2	-83.3	0	0	0	111.9	I116 D118 V121 A139 C140 S141 V145 G146 T147	I116-F143 HydrophobicContact CB-CD2 4.48Å; I116-F143 HydrophobicContact CG2-CB 4.06Å; I116-F143 HydrophobicContact CG2-CD1 4.11Å; I116-F143 HydrophobicContact CG2-CD2 3.9Å; I116-F143 HydrophobicContact CG2-CE2 4.38Å; I116-F143 HydrophobicContact CG2-CG 3.75Å; D118-F143 WeakPolarHBondContact OD1-CE1 3.34Å; D118-F143 WeakPolarHBondContact OD1-CZ 3.34Å; V121-F143 HydrophobicContact CB-CD1 3.99Å; V121-F143 HydrophobicContact CB-CE1 4.26Å; V121-F143 HydrophobicContact CG1-CD1 4.11Å; V121-F143 HydrophobicContact CG1-CE1 4.1Å; V121-F143 HydrophobicContact CG2-CB 4.35Å; V121-F143 HydrophobicContact CG2-CD1 3.77Å; V121-F143 HydrophobicContact CG2-CG 4.35Å; A139-F143 PolarHBondContact O-N 3.34Å; A139-F143 VanDerWaalsContact O-N 3.09Å; C140-F143 WeakPolarHBondContact O-CB 3.12Å; C140-F143 PolarHBondContact O-N 3.1Å; S141-F143 VanDerWaalsContact C-N 3.3Å; S141-F143 PolarHBondContact O-N 3.06Å; F143-V145 VanDerWaalsContact C-N 3.31Å; F143-V145 PolarHBondContact O-N 3.11Å; F143-G146 PolarHBondContact O-N 3.27Å; F143-T147 HydrophobicContact CD1-CG2 4.21Å; F143-T147 HydrophobicContact CE1-CG2 3.8Å; F143-T147 HydrophobicContact CZ-CG2 4.14Å; F143-T147 PolarHBondContact O-N 3.34Å; F143-T147 VanDerWaalsContact O-N 3.14Å; F143-T147 PolarHBondContact O-OG1 2.91Å
144	L	95.4	Very high	94.3	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-36.3	179.3	-67.8	170.5	0	0	0	112.4	V121 F125 C140 S141 G146 T147 M148 L156 L159 L168	V121-L144 HydrophobicContact CB-CD2 4.25Å; V121-L144 HydrophobicContact CG1-CD2 3.59Å; V121-L144 HydrophobicContact CG2-CD1 4.24Å; V121-L144 HydrophobicContact CG2-CD2 3.65Å; V121-L144 HydrophobicContact CG2-CG 3.66Å; F125-L144 HydrophobicContact CB-CD1 4.3Å; F125-L144 HydrophobicContact CD1-CD1 4.27Å; F125-L144 HydrophobicContact CD2-CD1 4.32Å; F125-L144 HydrophobicContact CG-CD1 4.03Å; C140-L144 VanDerWaalsContact O-CG 3.28Å; C140-L144 WeakPolarHBondContact O-CG 3.49Å; C140-L144 PolarHBondContact O-N 3.42Å; S141-L144 PolarHBondContact O-N 3.26Å; L144-G146 VanDerWaalsContact C-N 3.33Å; L144-T147 PolarHBondContact O-N 3.48Å; L144-T147 PolarHBondContact O-OG1 3.37Å; L144-M148 PolarHBondContact O-N 3.38Å; L144-L156 HydrophobicContact CB-CD2 4.27Å; L144-L156 HydrophobicContact CD1-CD2 4.45Å; L144-L156 HydrophobicContact CD2-CD2 3.76Å; L144-L156 HydrophobicContact CG-CD2 4.37Å; L144-L159 HydrophobicContact CD1-CD2 4.04Å; L144-L168 HydrophobicContact CB-CD1 3.89Å; L144-L168 HydrophobicContact CB-CD2 4.38Å; L144-L168 HydrophobicContact CD1-CD2 3.8Å
145	V	95.3	Very high	94.4	Very high	43 Å²	43	48.9 Å²	48.9	26%	0.261	29%	0.29	S	S	.	.	H	α-helix	trans	-64.2	-40.5	172.7	171.4	0	0	0	0	110.7	S141 F143 T147 M148 L168 N171	S141-V145 VanDerWaalsContact O-CG2 3.32Å; S141-V145 WeakPolarHBondContact O-CG2 3.42Å; S141-V145 PolarHBondContact O-N 3.09Å; F143-V145 VanDerWaalsContact C-N 3.31Å; F143-V145 PolarHBondContact O-N 3.11Å; V145-T147 VanDerWaalsContact C-N 3.3Å; V145-T147 PolarHBondContact O-N 2.94Å; V145-M148 WeakPolarHBondContact O-CB 3.48Å; V145-M148 PolarHBondContact O-N 3.4Å; V145-L168 HydrophobicContact CG2-CD1 3.69Å; V145-N171 HydrophobicContact CG1-CB 4.22Å; V145-N171 HydrophobicContact CG2-CB 3.93Å
146	G	94.3	Very high	94.5	Very high	70 Å²	70	44.2 Å²	44.2	72%	0.722	26%	0.261	S	S	*	.	H	α-helix	trans	-68.9	-22.1	179.1	0	0	0	0	0	115.1	D142 F143 L144	D142-G146 PolarHBondContact O-N 3.43Å; D142-G146 VanDerWaalsContact O-N 3.13Å; F143-G146 PolarHBondContact O-N 3.27Å; L144-G146 VanDerWaalsContact C-N 3.33Å
147	T	94.1	Very high	94.4	Very high	50 Å²	50	44.6 Å²	44.6	31%	0.307	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	9.7	179.6	59.7	0	0	0	0	113.6	F143 L144 V145 D149 N152	F143-T147 HydrophobicContact CD1-CG2 4.21Å; F143-T147 HydrophobicContact CE1-CG2 3.8Å; F143-T147 HydrophobicContact CZ-CG2 4.14Å; F143-T147 PolarHBondContact O-N 3.34Å; F143-T147 VanDerWaalsContact O-N 3.14Å; F143-T147 PolarHBondContact O-OG1 2.91Å; L144-T147 PolarHBondContact O-N 3.48Å; L144-T147 PolarHBondContact O-OG1 3.37Å; V145-T147 VanDerWaalsContact C-N 3.3Å; V145-T147 PolarHBondContact O-N 2.94Å; T147-D149 PolarHBondContact O-N 3.04Å; T147-N152 PolarHBondContact O-ND2 2.94Å
148	M	94.9	Very high	94.4	Very high	26 Å²	26	45.7 Å²	45.7	13%	0.128	27%	0.271	C	S	.	.			trans	-66.4	131.6	-177.4	-170.7	175.1	-62.4	0	0	112.4	L144 V145 N152 C153 L156 L168 N171 A172 F175	L144-M148 PolarHBondContact O-N 3.38Å; V145-M148 WeakPolarHBondContact O-CB 3.48Å; V145-M148 PolarHBondContact O-N 3.4Å; M148-N152 WeakPolarHBondContact CA-OD1 3.32Å; M148-C153 HydrophobicContact CG-CB 4.23Å; M148-L156 HydrophobicContact CB-CD1 4.25Å; M148-L156 HydrophobicContact CE-CD1 4.18Å; M148-L156 HydrophobicContact CG-CD1 4.19Å; M148-L168 HydrophobicContact CE-CD1 4.23Å; M148-N171 HydrophobicContact CE-CB 4.39Å; M148-A172 HydrophobicContact CE-CB 3.8Å; M148-A172 HydrophobicContact SD-CB 4.33Å; M148-F175 HydrophobicContact CG-CB 4.47Å; M148-F175 HydrophobicContact CG-CD1 4.07Å; M148-F175 HydrophobicContact CG-CD2 4.16Å; M148-F175 HydrophobicContact CG-CE1 4.35Å; M148-F175 HydrophobicContact CG-CE2 4.43Å; M148-F175 HydrophobicContact CG-CG 3.98Å; M148-F175 HydrophobicContact SD-CB 3.38Å; M148-F175 WeakPolarHBondContact SD-CB 3.4Å; M148-F175 HydrophobicContact SD-CD1 4.03Å; M148-F175 HydrophobicContact SD-CD2 3.97Å; M148-F175 HydrophobicContact SD-CG 3.53Å; M148-F175 VanDerWaalsContact SD-CG 3.53Å
149	D	95.6	Very high	94.3	Very high	72 Å²	72	38.2 Å²	38.2	39%	0.385	24%	0.244	S	C	.	.			trans	-144.2	-179.9	179.1	68.6	29.1	0	0	0	112.3	T147 C151 N152 C153	T147-D149 PolarHBondContact O-N 3.04Å; D149-C151 PolarHBondContact O-N 3.29Å; D149-C151 WeakPolarHBondContact OD1-CA 3.49Å; D149-C151 WeakPolarHBondContact OD1-CB 3.45Å; D149-C151 PolarHBondContact OD1-N 3.44Å; D149-N152 PolarHBondContact N-OD1 3.43Å; D149-N152 PolarHBondContact O-N 3.44Å; D149-N152 PolarHBondContact O-OD1 3.44Å; D149-N152 PolarHBondContact OD1-N 3.45Å; D149-N152 PolarHBondContact OD1-OD1 3.5Å; D149-C153 WeakPolarHBondContact O-CB 3.34Å; D149-C153 PolarHBondContact O-N 2.91Å
150	L	94.8	Very high	94.3	Very high	52 Å²	52	36.3 Å²	36.3	27%	0.272	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.9	-180	-62.8	178	0	0	0	113.4	F175 N179 D182 L183 T186	L150-F175 HydrophobicContact CD2-CE1 4.13Å; L150-F175 HydrophobicContact CD2-CZ 4.48Å; L150-N179 HydrophobicContact CD2-CB 3.79Å; L150-D182 HydrophobicContact CD1-CB 4.06Å; L150-L183 HydrophobicContact CD2-CB 4.41Å; L150-T186 HydrophobicContact CB-CG2 4.5Å
151	C	93.3	Very high	94.2	Very high	84 Å²	84	41 Å²	41	57%	0.568	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-30.4	-177.1	-67.2	0	0	0	0	112.2	D149	D149-C151 PolarHBondContact O-N 3.29Å; D149-C151 WeakPolarHBondContact OD1-CA 3.49Å; D149-C151 WeakPolarHBondContact OD1-CB 3.45Å; D149-C151 PolarHBondContact OD1-N 3.44Å
152	N	93.3	Very high	94	Very high	38 Å²	38	44.6 Å²	44.6	20%	0.203	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-15.6	-174.5	71.9	19.5	0	0	0	114.6	T147 M148 D149 L154 A155 L156	T147-N152 PolarHBondContact O-ND2 2.94Å; M148-N152 WeakPolarHBondContact CA-OD1 3.32Å; D149-N152 PolarHBondContact N-OD1 3.43Å; D149-N152 PolarHBondContact O-N 3.44Å; D149-N152 PolarHBondContact O-OD1 3.44Å; D149-N152 PolarHBondContact OD1-N 3.45Å; D149-N152 PolarHBondContact OD1-OD1 3.5Å; N152-L154 VanDerWaalsContact C-N 3.33Å; N152-L154 PolarHBondContact O-N 3.4Å; N152-A155 WeakPolarHBondContact O-CB 3.32Å; N152-A155 PolarHBondContact O-N 3.33Å; N152-L156 HydrophobicContact CB-CG 4.42Å; N152-L156 WeakPolarHBondContact O-CG 3.47Å; N152-L156 PolarHBondContact O-N 3.23Å; N152-L156 WeakPolarHBondContact OD1-CD1 3.45Å
153	C	95	Very high	93.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-54.6	-41.9	-171.7	59.4	0	0	0	0	114.4	M148 D149 L156 M157 F175 V176	M148-C153 HydrophobicContact CG-CB 4.23Å; D149-C153 WeakPolarHBondContact O-CB 3.34Å; D149-C153 PolarHBondContact O-N 2.91Å; C153-L156 PolarHBondContact O-N 3.45Å; C153-M157 WeakPolarHBondContact O-CB 3.27Å; C153-M157 PolarHBondContact O-N 3.3Å; C153-F175 HydrophobicContact CB-CD1 3.72Å; C153-F175 HydrophobicContact CB-CE1 4.01Å; C153-V176 HydrophobicContact CB-CG2 4.09Å
154	L	95.1	Very high	93.5	Very high	23 Å²	23	44.8 Å²	44.8	12%	0.12	29%	0.294	C	S	.	.	H	α-helix	trans	-70.7	-35.8	179.1	-59.9	179.6	0	0	0	112.8	N152 M157 S158 V176 L183 E188 M192 V196	N152-L154 VanDerWaalsContact C-N 3.33Å; N152-L154 PolarHBondContact O-N 3.4Å; L154-M157 HydrophobicContact CD2-CE 4.08Å; L154-S158 PolarHBondContact O-N 3.22Å; L154-S158 PolarHBondContact O-OG 3.49Å; L154-V176 HydrophobicContact CD2-CG1 4.47Å; L154-V176 HydrophobicContact CD2-CG2 3.92Å; L154-L183 HydrophobicContact CD2-CD2 4.32Å; L154-E188 HydrophobicContact CD1-CB 4.34Å; L154-E188 WeakPolarHBondContact CD1-O 3.25Å; L154-M192 HydrophobicContact CD1-CB 4.02Å; L154-M192 HydrophobicContact CD1-CE 4.18Å; L154-M192 HydrophobicContact CD1-CG 4.4Å; L154-M192 HydrophobicContact CD2-CE 3.69Å; L154-M192 HydrophobicContact CD2-CG 4.32Å; L154-V196 HydrophobicContact CD2-CG1 4.43Å
155	A	93.2	Very high	93.3	Very high	65 Å²	65	45.5 Å²	45.5	54%	0.537	30%	0.299	S	S	.	.	H	α-helix	trans	-68.4	-43.5	174.5	0	0	0	0	0	111	N152 M157 S158 L159	N152-A155 WeakPolarHBondContact O-CB 3.32Å; N152-A155 PolarHBondContact O-N 3.33Å; A155-M157 VanDerWaalsContact C-N 3.31Å; A155-M157 PolarHBondContact O-N 2.85Å; A155-S158 PolarHBondContact O-N 3.47Å; A155-L159 WeakPolarHBondContact O-CB 3.47Å; A155-L159 PolarHBondContact O-N 3.04Å
156	L	94.2	Very high	93.2	Very high	9 Å²	9	47 Å²	47	5%	0.047	32%	0.316	C	S	.	.	H	α-helix	trans	-63	-37.5	175.4	-67.4	-177.2	0	0	0	112.2	L144 M148 N152 C153 L159 A160	L144-L156 HydrophobicContact CB-CD2 4.27Å; L144-L156 HydrophobicContact CD1-CD2 4.45Å; L144-L156 HydrophobicContact CD2-CD2 3.76Å; L144-L156 HydrophobicContact CG-CD2 4.37Å; M148-L156 HydrophobicContact CB-CD1 4.25Å; M148-L156 HydrophobicContact CE-CD1 4.18Å; M148-L156 HydrophobicContact CG-CD1 4.19Å; N152-L156 HydrophobicContact CB-CG 4.42Å; N152-L156 WeakPolarHBondContact O-CG 3.47Å; N152-L156 PolarHBondContact O-N 3.23Å; N152-L156 WeakPolarHBondContact OD1-CD1 3.45Å; C153-L156 PolarHBondContact O-N 3.45Å; L156-L159 HydrophobicContact CD2-CD2 4.42Å; L156-L159 PolarHBondContact O-N 2.9Å; L156-A160 WeakPolarHBondContact O-CB 3Å; L156-A160 PolarHBondContact O-N 2.8Å
157	M	93.7	Very high	93.1	Very high	11 Å²	11	46.5 Å²	46.5	5%	0.054	30%	0.301	C	S	.	.	H	α-helix	trans	-64.8	-46	175.2	-164.3	166.7	67	0	0	111.5	C153 L154 A155 L159 A160 E161 L169 A172 V176 V196	C153-M157 WeakPolarHBondContact O-CB 3.27Å; C153-M157 PolarHBondContact O-N 3.3Å; L154-M157 HydrophobicContact CD2-CE 4.08Å; A155-M157 VanDerWaalsContact C-N 3.31Å; A155-M157 PolarHBondContact O-N 2.85Å; M157-L159 VanDerWaalsContact C-N 3.3Å; M157-L159 PolarHBondContact O-N 3.14Å; M157-A160 WeakPolarHBondContact O-CB 2.95Å; M157-A160 PolarHBondContact O-N 3.4Å; M157-E161 WeakPolarHBondContact O-CG 2.97Å; M157-E161 PolarHBondContact O-N 2.95Å; M157-L169 HydrophobicContact CG-CD1 3.49Å; M157-L169 VanDerWaalsContact CG-CD1 3.49Å; M157-L169 HydrophobicContact SD-CD1 4.49Å; M157-A172 HydrophobicContact CB-CB 3.91Å; M157-A172 HydrophobicContact CG-CB 4.18Å; M157-V176 HydrophobicContact SD-CG2 4.5Å; M157-V196 HydrophobicContact CE-CB 3.94Å; M157-V196 HydrophobicContact CE-CG1 3.23Å; M157-V196 HydrophobicContact CE-CG2 3.43Å; M157-V196 VanDerWaalsContact CE-CG2 3.43Å; M157-V196 HydrophobicContact SD-CG1 4.45Å
158	S	92.9	Very high	93.1	Very high	47 Å²	47	44.1 Å²	44.1	33%	0.329	29%	0.287	S	S	.	.	H	α-helix	trans	-61.7	-38.8	174.8	-55.4	0	0	0	0	111.9	L154 A155 A162	L154-S158 PolarHBondContact O-N 3.22Å; L154-S158 PolarHBondContact O-OG 3.49Å; A155-S158 PolarHBondContact O-N 3.47Å; S158-A162 WeakPolarHBondContact O-CB 3.3Å; S158-A162 PolarHBondContact O-N 2.64Å
159	L	92.5	Very high	93.2	Very high	22 Å²	22	45.3 Å²	45.3	12%	0.115	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-42.7	174.9	-175.4	70.7	0	0	0	111.1	F125 Q126 L144 A155 L156 M157 A162 Y163	F125-L159 HydrophobicContact CD1-CD1 4.37Å; F125-L159 HydrophobicContact CD1-CD2 3.84Å; F125-L159 HydrophobicContact CD1-CG 3.91Å; F125-L159 HydrophobicContact CE1-CD2 4.23Å; F125-L159 HydrophobicContact CE1-CG 3.96Å; Q126-L159 HydrophobicContact CG-CD1 4.03Å; L144-L159 HydrophobicContact CD1-CD2 4.04Å; A155-L159 WeakPolarHBondContact O-CB 3.47Å; A155-L159 PolarHBondContact O-N 3.04Å; L156-L159 HydrophobicContact CD2-CD2 4.42Å; L156-L159 PolarHBondContact O-N 2.9Å; M157-L159 VanDerWaalsContact C-N 3.3Å; M157-L159 PolarHBondContact O-N 3.14Å; L159-A162 PolarHBondContact O-N 2.76Å; L159-Y163 HydrophobicContact CD1-CD2 3.8Å; L159-Y163 HydrophobicContact CD1-CE2 3.74Å; L159-Y163 HydrophobicContact CG-CD2 4.41Å; L159-Y163 WeakPolarHBondContact O-CD2 3.33Å; L159-Y163 PolarHBondContact O-N 2.88Å
160	A	93.3	Very high	93.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-42.7	178.8	0	0	0	0	0	112.2	L156 M157 G164 S165 L168 L169	L156-A160 WeakPolarHBondContact O-CB 3Å; L156-A160 PolarHBondContact O-N 2.8Å; M157-A160 WeakPolarHBondContact O-CB 2.95Å; M157-A160 PolarHBondContact O-N 3.4Å; A160-G164 WeakPolarHBondContact O-CA 3.32Å; A160-G164 PolarHBondContact O-N 3.24Å; A160-S165 PolarHBondContact O-N 3.03Å; A160-L168 HydrophobicContact CB-CB 3.81Å; A160-L168 HydrophobicContact CB-CD2 3.88Å; A160-L168 HydrophobicContact CB-CG 3.77Å; A160-L169 HydrophobicContact CB-CB 3.77Å
161	E	92.4	Very high	93.1	Very high	99 Å²	99	47.6 Å²	47.6	46%	0.463	30%	0.302	S	S	.	.	H	α-helix	trans	-63.9	-46.2	175.4	-72.5	177.9	176.9	0	0	111.8	M157 Y163 G164 L169	M157-E161 WeakPolarHBondContact O-CG 2.97Å; M157-E161 PolarHBondContact O-N 2.95Å; E161-Y163 PolarHBondContact O-N 2.95Å; E161-G164 PolarHBondContact O-N 3.21Å; E161-L169 HydrophobicContact CG-CD1 3.64Å; E161-L169 HydrophobicContact CG-CD2 3.84Å; E161-L169 HydrophobicContact CG-CG 4.36Å
162	A	91.8	Very high	93.2	Very high	77 Å²	77	43.6 Å²	43.6	64%	0.636	28%	0.275	S	S	*	.	H	α-helix	trans	-60.5	-32.6	-178.6	0	0	0	0	0	113.3	S158 L159	S158-A162 WeakPolarHBondContact O-CB 3.3Å; S158-A162 PolarHBondContact O-N 2.64Å; L159-A162 PolarHBondContact O-N 2.76Å
163	Y	90.3	Very high	93.3	Very high	85 Å²	85	44.4 Å²	44.4	33%	0.333	28%	0.283	S	S	.	.	H	α-helix	trans	-110.2	5.6	-177.2	-67.7	-82.8	0	0	0	114.1	F125 Q126 L159 E161 S165	F125-Y163 HydrophobicContact CE1-CD2 4.46Å; F125-Y163 HydrophobicContact CE1-CG 4.44Å; Q126-Y163 HydrophobicContact CB-CE1 3.79Å; Q126-Y163 HydrophobicContact CB-CE2 4.18Å; Q126-Y163 HydrophobicContact CG-CD2 4.2Å; Q126-Y163 HydrophobicContact CG-CE1 4.04Å; Q126-Y163 HydrophobicContact CG-CE2 3.47Å; Q126-Y163 VanDerWaalsContact CG-CE2 3.47Å; Q126-Y163 WeakPolarHBondContact CG-OH 3.24Å; Q126-Y163 PolarHBondContact OE1-OH 3.44Å; L159-Y163 HydrophobicContact CD1-CD2 3.8Å; L159-Y163 HydrophobicContact CD1-CE2 3.74Å; L159-Y163 HydrophobicContact CG-CD2 4.41Å; L159-Y163 WeakPolarHBondContact O-CD2 3.33Å; L159-Y163 PolarHBondContact O-N 2.88Å; E161-Y163 PolarHBondContact O-N 2.95Å; Y163-S165 PolarHBondContact O-N 3.03Å
164	G	88.6	Confident	93.3	Very high	65 Å²	65	49.6 Å²	49.6	67%	0.67	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	28	174.2	0	0	0	0	0	115.2	A160 E161 A166	A160-G164 WeakPolarHBondContact O-CA 3.32Å; A160-G164 PolarHBondContact O-N 3.24Å; E161-G164 PolarHBondContact O-N 3.21Å; G164-A166 PolarHBondContact O-N 3.42Å
165	S	91.8	Very high	93.4	Very high	17 Å²	17	51 Å²	51	12%	0.119	31%	0.313	C	S	.	.			trans	-84.8	97.2	175.5	179.5	0	0	0	0	111.3	A160 Y163 S167 L168 L169	A160-S165 PolarHBondContact O-N 3.03Å; Y163-S165 PolarHBondContact O-N 3.03Å; S165-S167 VanDerWaalsContact C-N 3.29Å; S165-S167 PolarHBondContact O-N 3.03Å; S165-L168 PolarHBondContact O-N 2.99Å; S165-L168 WeakPolarHBondContact OG-CB 3.5Å; S165-L168 PolarHBondContact OG-N 3.37Å; S165-L169 VanDerWaalsContact O-CB 3.3Å; S165-L169 WeakPolarHBondContact O-CB 3.47Å; S165-L169 PolarHBondContact O-N 2.91Å
166	A	92.6	Very high	93.5	Very high	75 Å²	75	48 Å²	48	62%	0.62	29%	0.288	S	S	*	.	H	α-helix	trans	-59.9	-38.5	177.9	0	0	0	0	0	112.7	G164 Q170	G164-A166 PolarHBondContact O-N 3.42Å; A166-Q170 WeakPolarHBondContact O-CB 3.33Å; A166-Q170 PolarHBondContact O-N 2.86Å
167	S	92.1	Very high	93.6	Very high	60 Å²	60	48.3 Å²	48.3	42%	0.42	29%	0.29	S	S	.	.	H	α-helix	trans	-65.6	-48.2	-179.6	-169.6	0	0	0	0	111.8	S165 N171	S165-S167 VanDerWaalsContact C-N 3.29Å; S165-S167 PolarHBondContact O-N 3.03Å; S167-N171 PolarHBondContact O-N 2.88Å; S167-N171 VanDerWaalsContact O-N 3.14Å; S167-N171 PolarHBondContact O-ND2 3.41Å
168	L	94.9	Very high	93.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.7	-41.8	179.1	-176.5	60.7	0	0	0	111	F125 L144 V145 M148 A160 S165 N171 A172	F125-L168 HydrophobicContact CE1-CD2 4.29Å; F125-L168 HydrophobicContact CZ-CD2 4.1Å; L144-L168 HydrophobicContact CB-CD1 3.89Å; L144-L168 HydrophobicContact CB-CD2 4.38Å; L144-L168 HydrophobicContact CD1-CD2 3.8Å; V145-L168 HydrophobicContact CG2-CD1 3.69Å; M148-L168 HydrophobicContact CE-CD1 4.23Å; A160-L168 HydrophobicContact CB-CB 3.81Å; A160-L168 HydrophobicContact CB-CD2 3.88Å; A160-L168 HydrophobicContact CB-CG 3.77Å; S165-L168 PolarHBondContact O-N 2.99Å; S165-L168 WeakPolarHBondContact OG-CB 3.5Å; S165-L168 PolarHBondContact OG-N 3.37Å; L168-N171 PolarHBondContact O-N 3.08Å; L168-A172 VanDerWaalsContact O-CB 3.27Å; L168-A172 WeakPolarHBondContact O-CB 3.3Å; L168-A172 PolarHBondContact O-N 3.42Å
169	L	95	Very high	93.9	Very high	51 Å²	51	49.5 Å²	49.5	27%	0.267	30%	0.3	S	S	.	.	H	α-helix	trans	-61.4	-45.3	178.7	-179.3	54.5	0	0	0	111.8	M157 A160 E161 S165 A172 S173	M157-L169 HydrophobicContact CG-CD1 3.49Å; M157-L169 VanDerWaalsContact CG-CD1 3.49Å; M157-L169 HydrophobicContact SD-CD1 4.49Å; A160-L169 HydrophobicContact CB-CB 3.77Å; E161-L169 HydrophobicContact CG-CD1 3.64Å; E161-L169 HydrophobicContact CG-CD2 3.84Å; E161-L169 HydrophobicContact CG-CG 4.36Å; S165-L169 VanDerWaalsContact O-CB 3.3Å; S165-L169 WeakPolarHBondContact O-CB 3.47Å; S165-L169 PolarHBondContact O-N 2.91Å; L169-A172 PolarHBondContact O-N 2.89Å; L169-S173 VanDerWaalsContact O-CB 3.3Å; L169-S173 WeakPolarHBondContact O-CB 3.45Å; L169-S173 PolarHBondContact O-N 3.14Å
170	Q	94.4	Very high	94.1	Very high	114 Å²	114	48.4 Å²	48.4	53%	0.533	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-50.5	177.6	-179.7	175.5	0.7	0	0	111.5	A166 A172 S173 E174	A166-Q170 WeakPolarHBondContact O-CB 3.33Å; A166-Q170 PolarHBondContact O-N 2.86Å; Q170-A172 VanDerWaalsContact C-N 3.32Å; Q170-A172 PolarHBondContact O-N 2.79Å; Q170-S173 PolarHBondContact O-N 3.43Å; Q170-E174 VanDerWaalsContact CG-OE1 3.26Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.26Å; Q170-E174 PolarHBondContact NE2-OE1 3.23Å; Q170-E174 WeakPolarHBondContact O-CB 3.48Å; Q170-E174 WeakPolarHBondContact O-CG 3.33Å; Q170-E174 PolarHBondContact O-N 3.37Å
171	N	95.1	Very high	94.3	Very high	57 Å²	57	49.5 Å²	49.5	31%	0.305	30%	0.302	S	S	.	.	H	α-helix	trans	-62.1	-40.5	179.4	-77.9	-92.5	0	0	0	111.5	V145 M148 S167 L168 E174 F175	V145-N171 HydrophobicContact CG1-CB 4.22Å; V145-N171 HydrophobicContact CG2-CB 3.93Å; M148-N171 HydrophobicContact CE-CB 4.39Å; S167-N171 PolarHBondContact O-N 2.88Å; S167-N171 VanDerWaalsContact O-N 3.14Å; S167-N171 PolarHBondContact O-ND2 3.41Å; L168-N171 PolarHBondContact O-N 3.08Å; N171-E174 PolarHBondContact O-N 2.85Å; N171-F175 VanDerWaalsContact O-CB 3.3Å; N171-F175 WeakPolarHBondContact O-CB 3.32Å; N171-F175 PolarHBondContact O-N 3.34Å
172	A	95.7	Very high	94.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.5	-43.4	176.9	0	0	0	0	0	112.1	M148 M157 L168 L169 Q170 F175 V176	M148-A172 HydrophobicContact CE-CB 3.8Å; M148-A172 HydrophobicContact SD-CB 4.33Å; M157-A172 HydrophobicContact CB-CB 3.91Å; M157-A172 HydrophobicContact CG-CB 4.18Å; L168-A172 VanDerWaalsContact O-CB 3.27Å; L168-A172 WeakPolarHBondContact O-CB 3.3Å; L168-A172 PolarHBondContact O-N 3.42Å; L169-A172 PolarHBondContact O-N 2.89Å; Q170-A172 VanDerWaalsContact C-N 3.32Å; Q170-A172 PolarHBondContact O-N 2.79Å; A172-F175 PolarHBondContact O-N 2.95Å; A172-V176 WeakPolarHBondContact O-CB 3.33Å; A172-V176 VanDerWaalsContact O-CG2 3.26Å; A172-V176 WeakPolarHBondContact O-CG2 3.32Å; A172-V176 PolarHBondContact O-N 2.9Å
173	S	94.8	Very high	94.7	Very high	55 Å²	55	44.8 Å²	44.8	39%	0.385	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-46.9	175.5	176.6	0	0	0	0	111.7	L169 Q170 F175 V176 V177	L169-S173 VanDerWaalsContact O-CB 3.3Å; L169-S173 WeakPolarHBondContact O-CB 3.45Å; L169-S173 PolarHBondContact O-N 3.14Å; Q170-S173 PolarHBondContact O-N 3.43Å; S173-F175 VanDerWaalsContact C-N 3.32Å; S173-F175 PolarHBondContact O-N 3.18Å; S173-V176 PolarHBondContact O-N 2.83Å; S173-V177 WeakPolarHBondContact O-CB 3.37Å; S173-V177 VanDerWaalsContact O-CG2 3.31Å; S173-V177 WeakPolarHBondContact O-CG2 3.27Å; S173-V177 PolarHBondContact O-N 3.41Å
174	E	95.1	Very high	95	Very high	109 Å²	109	41.2 Å²	41.2	51%	0.509	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-41.4	177.4	-73.4	173.1	-166.9	0	0	111.1	Q170 N171 G178	Q170-E174 VanDerWaalsContact CG-OE1 3.26Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.26Å; Q170-E174 PolarHBondContact NE2-OE1 3.23Å; Q170-E174 WeakPolarHBondContact O-CB 3.48Å; Q170-E174 WeakPolarHBondContact O-CG 3.33Å; Q170-E174 PolarHBondContact O-N 3.37Å; N171-E174 PolarHBondContact O-N 2.85Å; E174-G178 PolarHBondContact O-N 3.44Å
175	F	96.4	Very high	95.3	Very high	54 Å²	54	44.4 Å²	44.4	24%	0.237	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-44.8	176	-173.8	-86.9	0	0	0	112.6	M148 L150 C153 N171 A172 S173 G178 N179	M148-F175 HydrophobicContact CG-CB 4.47Å; M148-F175 HydrophobicContact CG-CD1 4.07Å; M148-F175 HydrophobicContact CG-CD2 4.16Å; M148-F175 HydrophobicContact CG-CE1 4.35Å; M148-F175 HydrophobicContact CG-CE2 4.43Å; M148-F175 HydrophobicContact CG-CG 3.98Å; M148-F175 HydrophobicContact SD-CB 3.38Å; M148-F175 WeakPolarHBondContact SD-CB 3.4Å; M148-F175 HydrophobicContact SD-CD1 4.03Å; M148-F175 HydrophobicContact SD-CD2 3.97Å; M148-F175 HydrophobicContact SD-CG 3.53Å; M148-F175 VanDerWaalsContact SD-CG 3.53Å; L150-F175 HydrophobicContact CD2-CE1 4.13Å; L150-F175 HydrophobicContact CD2-CZ 4.48Å; C153-F175 HydrophobicContact CB-CD1 3.72Å; C153-F175 HydrophobicContact CB-CE1 4.01Å; N171-F175 VanDerWaalsContact O-CB 3.3Å; N171-F175 WeakPolarHBondContact O-CB 3.32Å; N171-F175 PolarHBondContact O-N 3.34Å; A172-F175 PolarHBondContact O-N 2.95Å; S173-F175 VanDerWaalsContact C-N 3.32Å; S173-F175 PolarHBondContact O-N 3.18Å; F175-G178 PolarHBondContact O-N 3.28Å; F175-N179 HydrophobicContact CE1-CB 4.44Å; F175-N179 WeakPolarHBondContact O-CB 3.35Å; F175-N179 PolarHBondContact O-N 3.01Å; F175-N179 PolarHBondContact O-ND2 3.48Å
176	V	96.6	Very high	95.5	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-46.8	178.2	167.7	0	0	0	0	110.8	C153 L154 M157 A172 S173 N179 F180 L183 M192	C153-V176 HydrophobicContact CB-CG2 4.09Å; L154-V176 HydrophobicContact CD2-CG1 4.47Å; L154-V176 HydrophobicContact CD2-CG2 3.92Å; M157-V176 HydrophobicContact SD-CG2 4.5Å; A172-V176 WeakPolarHBondContact O-CB 3.33Å; A172-V176 VanDerWaalsContact O-CG2 3.26Å; A172-V176 WeakPolarHBondContact O-CG2 3.32Å; A172-V176 PolarHBondContact O-N 2.9Å; S173-V176 PolarHBondContact O-N 2.83Å; V176-N179 PolarHBondContact O-N 3.26Å; V176-F180 WeakPolarHBondContact O-CA 3.4Å; V176-F180 WeakPolarHBondContact O-CB 3.05Å; V176-F180 PolarHBondContact O-N 3.29Å; V176-L183 HydrophobicContact CB-CD2 4.49Å; V176-L183 HydrophobicContact CG1-CD2 3.85Å; V176-L183 HydrophobicContact CG2-CD2 4.36Å; V176-M192 HydrophobicContact CG1-CE 4.07Å
177	V	96.5	Very high	95.5	Very high	15 Å²	15	47 Å²	47	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-65.9	-42	178.4	171.9	0	0	0	0	110.9	S173 N179 A205 N207	S173-V177 WeakPolarHBondContact O-CB 3.37Å; S173-V177 VanDerWaalsContact O-CG2 3.31Å; S173-V177 WeakPolarHBondContact O-CG2 3.27Å; S173-V177 PolarHBondContact O-N 3.41Å; V177-N179 VanDerWaalsContact C-N 3.35Å; V177-N179 PolarHBondContact O-N 3.23Å; V177-A205 VanDerWaalsContact CG1-C 3.45Å; V177-A205 HydrophobicContact CG1-CB 3.99Å; V177-A205 VanDerWaalsContact CG1-O 3.29Å; V177-A205 WeakPolarHBondContact CG1-O 3.3Å; V177-N207 WeakPolarHBondContact O-CB 2.99Å; V177-N207 PolarHBondContact O-N 2.96Å
178	G	95.7	Very high	95.5	Very high	29 Å²	29	47.4 Å²	47.4	30%	0.299	25%	0.246	S	C	.	.	H	α-helix	trans	-71.6	-22	179.8	0	0	0	0	0	114.7	E174 F175 N207	E174-G178 PolarHBondContact O-N 3.44Å; F175-G178 PolarHBondContact O-N 3.28Å; G178-N207 WeakPolarHBondContact O-CB 3.49Å; G178-N207 PolarHBondContact O-ND2 3.48Å
179	N	96.3	Very high	95.6	Very high	53 Å²	53	47.4 Å²	47.4	28%	0.283	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	17	179.2	-62.7	-83.2	0	0	0	113	L150 F175 V176 V177 S181 D182 L183	L150-N179 HydrophobicContact CD2-CB 3.79Å; F175-N179 HydrophobicContact CE1-CB 4.44Å; F175-N179 WeakPolarHBondContact O-CB 3.35Å; F175-N179 PolarHBondContact O-N 3.01Å; F175-N179 PolarHBondContact O-ND2 3.48Å; V176-N179 PolarHBondContact O-N 3.26Å; V177-N179 VanDerWaalsContact C-N 3.35Å; V177-N179 PolarHBondContact O-N 3.23Å; N179-S181 VanDerWaalsContact C-N 3.27Å; N179-S181 PolarHBondContact O-N 2.92Å; N179-D182 PolarHBondContact O-N 2.87Å; N179-L183 WeakPolarHBondContact O-CB 3.38Å; N179-L183 PolarHBondContact O-N 3.47Å
180	F	97.3	Very high	95.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-55.7	-39.9	-172.3	-174.4	-91	0	0	0	112.9	V176 D182 L183 S184 F189 L197 C200 L201 L206 I208	V176-F180 WeakPolarHBondContact O-CA 3.4Å; V176-F180 WeakPolarHBondContact O-CB 3.05Å; V176-F180 PolarHBondContact O-N 3.29Å; F180-D182 VanDerWaalsContact C-N 3.27Å; F180-D182 PolarHBondContact O-N 2.92Å; F180-L183 PolarHBondContact O-N 3.34Å; F180-S184 VanDerWaalsContact O-CB 3.27Å; F180-S184 WeakPolarHBondContact O-CB 3.49Å; F180-S184 PolarHBondContact O-N 3.03Å; F180-S184 PolarHBondContact O-OG 3.18Å; F180-F189 AromaticContact CE2-CE2 3.86Å; F180-F189 HydrophobicContact CE2-CE2 3.86Å; F180-F189 AromaticContact CZ-CE2 3.8Å; F180-F189 HydrophobicContact CZ-CE2 3.8Å; F180-F189 HydrophobicContact CZ-CZ 4.32Å; F180-L197 HydrophobicContact CE2-CD1 3.92Å; F180-L197 HydrophobicContact CZ-CD1 3.91Å; F180-C200 HydrophobicContact CD2-CB 3.97Å; F180-C200 HydrophobicContact CE2-CB 3.82Å; F180-L201 HydrophobicContact CZ-CD2 4.44Å; F180-L206 HydrophobicContact CB-CD1 3.54Å; F180-L206 HydrophobicContact CB-CG 4.24Å; F180-L206 HydrophobicContact CD1-CD1 3.89Å; F180-L206 HydrophobicContact CD1-CD2 4.15Å; F180-L206 HydrophobicContact CD1-CG 4.16Å; F180-L206 HydrophobicContact CD2-CD1 3.62Å; F180-L206 HydrophobicContact CE1-CD2 4.28Å; F180-L206 HydrophobicContact CE2-CD1 4.26Å; F180-L206 HydrophobicContact CG-CD1 3.4Å; F180-L206 HydrophobicContact CG-CD2 4.5Å; F180-L206 HydrophobicContact CG-CG 4.13Å; F180-I208 HydrophobicContact CD1-CD1 3.93Å; F180-I208 HydrophobicContact CE1-CD1 3.93Å
181	S	96.3	Very high	95.5	Very high	22 Å²	22	45.7 Å²	45.7	15%	0.154	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-31.8	178.5	-174.5	0	0	0	0	114.4	N179 S184 K185 N207 P209	N179-S181 VanDerWaalsContact C-N 3.27Å; N179-S181 PolarHBondContact O-N 2.92Å; S181-S184 PolarHBondContact O-OG 2.87Å; S181-K185 WeakPolarHBondContact O-CE 3.35Å; S181-N207 PolarHBondContact N-O 3.37Å; S181-N207 VanDerWaalsContact N-O 3.15Å; S181-P209 VanDerWaalsContact OG-CD 3.29Å; S181-P209 WeakPolarHBondContact OG-CD 3.5Å
182	D	96.4	Very high	95.4	Very high	76 Å²	76	43.2 Å²	43.2	41%	0.406	23%	0.228	S	C	.	.	H	α-helix	trans	-92	-38.8	179.3	-71.2	-35.3	0	0	0	110.9	L150 N179 F180 S184 K185	L150-D182 HydrophobicContact CD1-CB 4.06Å; N179-D182 PolarHBondContact O-N 2.87Å; F180-D182 VanDerWaalsContact C-N 3.27Å; F180-D182 PolarHBondContact O-N 2.92Å; D182-S184 PolarHBondContact O-N 2.81Å; D182-K185 WeakPolarHBondContact O-CB 3.42Å; D182-K185 PolarHBondContact O-N 2.71Å; D182-K185 VanDerWaalsContact O-N 3.09Å; D182-K185 IonicContact OD1-NZ 3.87Å; D182-K185 PolarHBondContact OD1-NZ 2.84Å
183	L	96.4	Very high	95.3	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-54.8	-42.1	170.7	-175.2	63.8	0	0	0	110.8	L150 L154 V176 N179 F180 K185 T186 F189 M192	L150-L183 HydrophobicContact CD2-CB 4.41Å; L154-L183 HydrophobicContact CD2-CD2 4.32Å; V176-L183 HydrophobicContact CB-CD2 4.49Å; V176-L183 HydrophobicContact CG1-CD2 3.85Å; V176-L183 HydrophobicContact CG2-CD2 4.36Å; N179-L183 WeakPolarHBondContact O-CB 3.38Å; N179-L183 PolarHBondContact O-N 3.47Å; F180-L183 PolarHBondContact O-N 3.34Å; L183-K185 PolarHBondContact O-N 2.84Å; L183-T186 WeakPolarHBondContact O-CB 3.48Å; L183-T186 PolarHBondContact O-N 3.28Å; L183-T186 PolarHBondContact O-OG1 2.81Å; L183-F189 HydrophobicContact CG-CB 4.32Å; L183-F189 HydrophobicContact CG-CD2 4.49Å; L183-F189 WeakPolarHBondContact O-CB 3.33Å; L183-M192 HydrophobicContact CD2-CE 3.54Å; L183-M192 HydrophobicContact CG-CE 4.42Å
184	S	96.3	Very high	95.3	Very high	11 Å²	11	48.1 Å²	48.1	8%	0.077	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-6.7	-179.5	78.3	0	0	0	0	115.1	F180 S181 D182 S217 R220	F180-S184 VanDerWaalsContact O-CB 3.27Å; F180-S184 WeakPolarHBondContact O-CB 3.49Å; F180-S184 PolarHBondContact O-N 3.03Å; F180-S184 PolarHBondContact O-OG 3.18Å; S181-S184 PolarHBondContact O-OG 2.87Å; D182-S184 PolarHBondContact O-N 2.81Å; S184-S217 WeakPolarHBondContact CB-OG 3.44Å; S184-S217 PolarHBondContact OG-OG 3.06Å; S184-R220 PolarHBondContact O-NH1 2.64Å
185	K	95.1	Very high	95.3	Very high	131 Å²	131	48.4 Å²	48.4	57%	0.57	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-15.3	174.3	-57.1	166.2	-170	156.1	0	113	S181 D182 L183 R220	S181-K185 WeakPolarHBondContact O-CE 3.35Å; D182-K185 WeakPolarHBondContact O-CB 3.42Å; D182-K185 PolarHBondContact O-N 2.71Å; D182-K185 VanDerWaalsContact O-N 3.09Å; D182-K185 IonicContact OD1-NZ 3.87Å; D182-K185 PolarHBondContact OD1-NZ 2.84Å; L183-K185 PolarHBondContact O-N 2.84Å; K185-R220 PolarHBondContact O-NH2 3.24Å
186	T	96.2	Very high	95.2	Very high	26 Å²	26	46.6 Å²	46.6	16%	0.16	24%	0.243	C	C	.	.	S	Bend	trans	-80.7	174.3	-175.3	69.3	0	0	0	0	112.9	L150 L183 E188 F189 R220	L150-T186 HydrophobicContact CB-CG2 4.5Å; L183-T186 WeakPolarHBondContact O-CB 3.48Å; L183-T186 PolarHBondContact O-N 3.28Å; L183-T186 PolarHBondContact O-OG1 2.81Å; T186-E188 VanDerWaalsContact CB-OE2 3.31Å; T186-E188 WeakPolarHBondContact CB-OE2 3.46Å; T186-F189 PolarHBondContact OG1-N 3.08Å; T186-R220 PolarHBondContact O-NH1 2.77Å; T186-R220 PolarHBondContact O-NH2 2.86Å
187	Q	93.4	Very high	95.2	Very high	122 Å²	122	46.5 Å²	46.5	57%	0.57	24%	0.242	S	C	*	.	S	Bend	trans	-83.2	-35.1	173.6	-68.9	-63.6	-35.3	0	0	110.9	F189 L190	Q187-F189 PolarHBondContact O-N 3.1Å; Q187-L190 VanDerWaalsContact O-CB 3.28Å; Q187-L190 WeakPolarHBondContact O-CB 3.36Å; Q187-L190 PolarHBondContact O-N 2.82Å
188	E	92.8	Very high	95.2	Very high	67 Å²	67	47 Å²	47	31%	0.313	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-55.3	-36.7	178.1	-66.4	75.4	-171.6	0	0	111.2	L154 T186 L190 D191 M192	L154-E188 HydrophobicContact CD1-CB 4.34Å; L154-E188 WeakPolarHBondContact CD1-O 3.25Å; T186-E188 VanDerWaalsContact CB-OE2 3.31Å; T186-E188 WeakPolarHBondContact CB-OE2 3.46Å; E188-L190 VanDerWaalsContact C-N 3.29Å; E188-L190 PolarHBondContact O-N 3.08Å; E188-D191 PolarHBondContact O-N 3.24Å; E188-M192 PolarHBondContact O-N 3.25Å
189	F	96	Very high	95.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-59	-35	172.5	173.8	-99	0	0	0	114	F180 L183 T186 Q187 D191 M192 L197 S217 W221	F180-F189 AromaticContact CE2-CE2 3.86Å; F180-F189 HydrophobicContact CE2-CE2 3.86Å; F180-F189 AromaticContact CZ-CE2 3.8Å; F180-F189 HydrophobicContact CZ-CE2 3.8Å; F180-F189 HydrophobicContact CZ-CZ 4.32Å; L183-F189 HydrophobicContact CG-CB 4.32Å; L183-F189 HydrophobicContact CG-CD2 4.49Å; L183-F189 WeakPolarHBondContact O-CB 3.33Å; T186-F189 PolarHBondContact OG1-N 3.08Å; Q187-F189 PolarHBondContact O-N 3.1Å; F189-D191 PolarHBondContact O-N 3.3Å; F189-M192 HydrophobicContact CD2-CE 3.85Å; F189-M192 HydrophobicContact CD2-SD 4.23Å; F189-M192 HydrophobicContact CE2-CE 4.3Å; F189-M192 HydrophobicContact CE2-SD 4.23Å; F189-M192 WeakPolarHBondContact O-CB 3.5Å; F189-M192 PolarHBondContact O-N 3.12Å; F189-M192 VanDerWaalsContact O-N 3.15Å; F189-L197 HydrophobicContact CE2-CD1 3.97Å; F189-L197 HydrophobicContact CZ-CD1 4.17Å; F189-S217 WeakPolarHBondContact CE1-O 3.35Å; F189-S217 WeakPolarHBondContact CZ-O 3.49Å; F189-W221 HydrophobicContact CE1-CB 3.81Å; F189-W221 HydrophobicContact CZ-CB 4.08Å
190	L	95.1	Very high	95.1	Very high	13 Å²	13	46.1 Å²	46.1	7%	0.068	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-68.1	-25.9	-179.9	-54.9	-179.1	0	0	0	112	Q187 E188 R220 H224 R229	Q187-L190 VanDerWaalsContact O-CB 3.28Å; Q187-L190 WeakPolarHBondContact O-CB 3.36Å; Q187-L190 PolarHBondContact O-N 2.82Å; E188-L190 VanDerWaalsContact C-N 3.29Å; E188-L190 PolarHBondContact O-N 3.08Å; L190-R220 HydrophobicContact CD2-CG 3.89Å; L190-H224 HydrophobicContact CB-CB 4.24Å; L190-H224 HydrophobicContact CD2-CB 4.28Å; L190-R229 PolarHBondContact O-NH1 3.45Å; L190-R229 PolarHBondContact O-NH2 2.75Å
191	D	91.8	Very high	95.1	Very high	117 Å²	117	46.1 Å²	46.1	63%	0.626	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-91.4	-0.8	176.6	-64	-33.9	0	0	0	113.1	E188 F189 Q193 H224	E188-D191 PolarHBondContact O-N 3.24Å; F189-D191 PolarHBondContact O-N 3.3Å; D191-Q193 PolarHBondContact O-N 2.92Å; D191-H224 IonicContact OD1-CE1 3.46Å
192	M	94.6	Very high	95	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.02	26%	0.259	C	S	.	.			trans	-57.2	134.6	175.7	-174.7	-176.3	-80.1	0	0	111	L154 V176 L183 E188 F189 V196 L197 W221	L154-M192 HydrophobicContact CD1-CB 4.02Å; L154-M192 HydrophobicContact CD1-CE 4.18Å; L154-M192 HydrophobicContact CD1-CG 4.4Å; L154-M192 HydrophobicContact CD2-CE 3.69Å; L154-M192 HydrophobicContact CD2-CG 4.32Å; V176-M192 HydrophobicContact CG1-CE 4.07Å; L183-M192 HydrophobicContact CD2-CE 3.54Å; L183-M192 HydrophobicContact CG-CE 4.42Å; E188-M192 PolarHBondContact O-N 3.25Å; F189-M192 HydrophobicContact CD2-CE 3.85Å; F189-M192 HydrophobicContact CD2-SD 4.23Å; F189-M192 HydrophobicContact CE2-CE 4.3Å; F189-M192 HydrophobicContact CE2-SD 4.23Å; F189-M192 WeakPolarHBondContact O-CB 3.5Å; F189-M192 PolarHBondContact O-N 3.12Å; F189-M192 VanDerWaalsContact O-N 3.15Å; M192-V196 HydrophobicContact CE-CG1 4.3Å; M192-V196 HydrophobicContact CG-CB 3.94Å; M192-V196 HydrophobicContact CG-CG1 3.8Å; M192-V196 HydrophobicContact SD-CB 4.44Å; M192-V196 HydrophobicContact SD-CG1 3.92Å; M192-L197 HydrophobicContact CG-CB 4.41Å; M192-L197 HydrophobicContact SD-CB 3.79Å; M192-L197 HydrophobicContact SD-CD1 4.02Å; M192-L197 HydrophobicContact SD-CG 4.49Å; M192-W221 PolarHBondContact O-NE1 3.12Å
193	Q	93.4	Very high	95	Very high	99 Å²	99	49.9 Å²	49.9	46%	0.463	25%	0.25	S	S	.	.			trans	-68	151.1	176.9	-60.5	-178.5	12.9	0	0	111.6	D191 D195 V196 L197	D191-Q193 PolarHBondContact O-N 2.92Å; Q193-D195 PolarHBondContact O-N 3.32Å; Q193-V196 HydrophobicContact CB-CG2 4.08Å; Q193-V196 PolarHBondContact O-N 3.12Å; Q193-L197 PolarHBondContact O-N 2.61Å; Q193-L197 VanDerWaalsContact O-N 3.12Å
194	E	94.8	Very high	94.8	Very high	60 Å²	60	54.2 Å²	54.2	28%	0.28	27%	0.274	S	S	.	.	H	α-helix	trans	-57.2	-47.4	-178.5	-177	-168.7	148.9	0	0	112.3	V196 L197 K198 W221 L232	E194-V196 PolarHBondContact O-N 3.3Å; E194-L197 PolarHBondContact O-N 2.63Å; E194-K198 WeakPolarHBondContact O-CB 3.25Å; E194-K198 PolarHBondContact O-N 2.92Å; E194-W221 HydrophobicContact CB-CH2 4.24Å; E194-W221 HydrophobicContact CB-CZ2 4.48Å; E194-W221 HydrophobicContact CG-CH2 4.45Å; E194-L232 HydrophobicContact CG-CD1 4.1Å; E194-L232 VanDerWaalsContact OE2-CD1 3.31Å; E194-L232 WeakPolarHBondContact OE2-CD1 3.24Å; E194-L232 WeakPolarHBondContact OE2-CD2 3.37Å
195	D	93.9	Very high	94.7	Very high	114 Å²	114	57 Å²	57	61%	0.61	30%	0.298	S	S	*	.	H	α-helix	trans	-61.1	-36.8	-176.7	-70.8	-42.6	0	0	0	112.1	Q193 A199	Q193-D195 PolarHBondContact O-N 3.32Å; D195-A199 WeakPolarHBondContact O-CB 3.37Å; D195-A199 PolarHBondContact O-N 2.72Å
196	V	94.6	Very high	94.7	Very high	16 Å²	16	50.8 Å²	50.8	10%	0.097	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-50.1	176.8	177.8	0	0	0	0	110.7	L154 M157 M192 Q193 E194 K198 A199 C200	L154-V196 HydrophobicContact CD2-CG1 4.43Å; M157-V196 HydrophobicContact CE-CB 3.94Å; M157-V196 HydrophobicContact CE-CG1 3.23Å; M157-V196 HydrophobicContact CE-CG2 3.43Å; M157-V196 VanDerWaalsContact CE-CG2 3.43Å; M157-V196 HydrophobicContact SD-CG1 4.45Å; M192-V196 HydrophobicContact CE-CG1 4.3Å; M192-V196 HydrophobicContact CG-CB 3.94Å; M192-V196 HydrophobicContact CG-CG1 3.8Å; M192-V196 HydrophobicContact SD-CB 4.44Å; M192-V196 HydrophobicContact SD-CG1 3.92Å; Q193-V196 HydrophobicContact CB-CG2 4.08Å; Q193-V196 PolarHBondContact O-N 3.12Å; E194-V196 PolarHBondContact O-N 3.3Å; V196-K198 VanDerWaalsContact C-N 3.29Å; V196-K198 PolarHBondContact O-N 3.35Å; V196-A199 PolarHBondContact O-N 2.92Å; V196-C200 PolarHBondContact O-N 3.44Å; V196-C200 PolarHBondContact O-SG 3.09Å
197	L	96.4	Very high	94.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-42.2	179	179.8	60.6	0	0	0	110.9	F180 F189 M192 Q193 E194 C200 L201 L218 W221 L236	F180-L197 HydrophobicContact CE2-CD1 3.92Å; F180-L197 HydrophobicContact CZ-CD1 3.91Å; F189-L197 HydrophobicContact CE2-CD1 3.97Å; F189-L197 HydrophobicContact CZ-CD1 4.17Å; M192-L197 HydrophobicContact CG-CB 4.41Å; M192-L197 HydrophobicContact SD-CB 3.79Å; M192-L197 HydrophobicContact SD-CD1 4.02Å; M192-L197 HydrophobicContact SD-CG 4.49Å; Q193-L197 PolarHBondContact O-N 2.61Å; Q193-L197 VanDerWaalsContact O-N 3.12Å; E194-L197 PolarHBondContact O-N 2.63Å; L197-C200 WeakPolarHBondContact O-CB 3.24Å; L197-C200 PolarHBondContact O-N 3.09Å; L197-L201 HydrophobicContact CD1-CD1 4.38Å; L197-L201 HydrophobicContact CD1-CG 4.26Å; L197-L201 HydrophobicContact CG-CD1 4.22Å; L197-L201 HydrophobicContact CG-CG 4.48Å; L197-L201 WeakPolarHBondContact O-CG 3.45Å; L197-L201 PolarHBondContact O-N 2.85Å; L197-L218 HydrophobicContact CD2-CD1 4.08Å; L197-W221 HydrophobicContact CD2-CB 4.15Å; L197-W221 HydrophobicContact CD2-CD2 3.48Å; L197-W221 VanDerWaalsContact CD2-CD2 3.48Å; L197-W221 HydrophobicContact CD2-CE3 3.68Å; L197-W221 HydrophobicContact CD2-CG 3.69Å; L197-W221 HydrophobicContact CD2-CZ2 4.48Å; L197-W221 HydrophobicContact CD2-CZ3 4.28Å; L197-L236 HydrophobicContact CD2-CD1 4.48Å
198	K	96.1	Very high	94.7	Very high	27 Å²	27	47.5 Å²	47.5	12%	0.117	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-42.1	176.8	-172.6	179	-167.4	164.8	0	112	E194 V196 R202 E235 L236 L239	E194-K198 WeakPolarHBondContact O-CB 3.25Å; E194-K198 PolarHBondContact O-N 2.92Å; V196-K198 VanDerWaalsContact C-N 3.29Å; V196-K198 PolarHBondContact O-N 3.35Å; K198-R202 WeakPolarHBondContact O-CB 3.44Å; K198-R202 WeakPolarHBondContact O-CD 3.47Å; K198-R202 VanDerWaalsContact O-CG 3.25Å; K198-R202 WeakPolarHBondContact O-CG 3.44Å; K198-R202 PolarHBondContact O-N 2.81Å; K198-R202 VanDerWaalsContact O-N 3.08Å; K198-E235 WeakPolarHBondContact CE-OE1 3.22Å; K198-E235 IonicContact NZ-OE1 3.57Å; K198-E235 PolarHBondContact NZ-OE1 3.38Å; K198-L236 HydrophobicContact CB-CD2 3.98Å; K198-L236 HydrophobicContact CD-CD2 4.48Å; K198-L236 HydrophobicContact CG-CD2 4.07Å; K198-L239 HydrophobicContact CG-CD1 3.79Å
199	A	94.9	Very high	94.7	Very high	58 Å²	58	47.1 Å²	47.1	48%	0.479	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-43	173.7	0	0	0	0	0	111.6	D195 V196 R202 S203	D195-A199 WeakPolarHBondContact O-CB 3.37Å; D195-A199 PolarHBondContact O-N 2.72Å; V196-A199 PolarHBondContact O-N 2.92Å; A199-R202 PolarHBondContact O-N 2.71Å; A199-S203 PolarHBondContact O-N 3.14Å; A199-S203 VanDerWaalsContact O-N 3.16Å
200	C	96.1	Very high	94.6	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.027	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-51.8	176	-65.9	0	0	0	0	111.6	F180 V196 L197 R202 S203 L206	F180-C200 HydrophobicContact CD2-CB 3.97Å; F180-C200 HydrophobicContact CE2-CB 3.82Å; V196-C200 PolarHBondContact O-N 3.44Å; V196-C200 PolarHBondContact O-SG 3.09Å; L197-C200 WeakPolarHBondContact O-CB 3.24Å; L197-C200 PolarHBondContact O-N 3.09Å; C200-R202 VanDerWaalsContact C-N 3.27Å; C200-R202 PolarHBondContact O-N 3.36Å; C200-S203 WeakPolarHBondContact O-CB 3.48Å; C200-S203 PolarHBondContact O-N 3.35Å; C200-S203 VanDerWaalsContact O-N 3.1Å; C200-L206 HydrophobicContact CB-CD1 3.84Å; C200-L206 WeakPolarHBondContact O-CD1 3.34Å
201	L	96	Very high	94.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.7	-32.3	-178.6	-67.4	178.1	0	0	0	112.7	F180 L197 S203 L206 A214 L218 L239 T240 R288	F180-L201 HydrophobicContact CZ-CD2 4.44Å; L197-L201 HydrophobicContact CD1-CD1 4.38Å; L197-L201 HydrophobicContact CD1-CG 4.26Å; L197-L201 HydrophobicContact CG-CD1 4.22Å; L197-L201 HydrophobicContact CG-CG 4.48Å; L197-L201 WeakPolarHBondContact O-CG 3.45Å; L197-L201 PolarHBondContact O-N 2.85Å; L201-S203 VanDerWaalsContact C-N 3.34Å; L201-L206 HydrophobicContact CD2-CD2 4.33Å; L201-A214 HydrophobicContact CD2-CB 4.49Å; L201-L218 HydrophobicContact CD1-CD1 4.27Å; L201-L218 HydrophobicContact CD1-CD2 4.44Å; L201-L239 HydrophobicContact CB-CB 3.72Å; L201-L239 HydrophobicContact CB-CD1 4.36Å; L201-L239 HydrophobicContact CD1-CB 4.47Å; L201-L239 VanDerWaalsContact O-O 3.08Å; L201-T240 HydrophobicContact CD1-CG2 4.28Å; L201-T240 HydrophobicContact CD2-CG2 4.19Å; L201-R288 PolarHBondContact O-NH2 3.46Å
202	R	95.3	Very high	94.5	Very high	144 Å²	144	44 Å²	44	54%	0.543	24%	0.242	S	C	.	.	H	α-helix	trans	-70.3	-29.7	175	-77.7	169.6	177.8	-177.5	-5.8	113.2	K198 A199 C200 L239	K198-R202 WeakPolarHBondContact O-CB 3.44Å; K198-R202 WeakPolarHBondContact O-CD 3.47Å; K198-R202 VanDerWaalsContact O-CG 3.25Å; K198-R202 WeakPolarHBondContact O-CG 3.44Å; K198-R202 PolarHBondContact O-N 2.81Å; K198-R202 VanDerWaalsContact O-N 3.08Å; A199-R202 PolarHBondContact O-N 2.71Å; C200-R202 VanDerWaalsContact C-N 3.27Å; C200-R202 PolarHBondContact O-N 3.36Å; R202-L239 HydrophobicContact CG-CD1 4.09Å; R202-L239 HydrophobicContact CG-CD2 3.76Å; R202-L239 HydrophobicContact CG-CG 4.4Å
203	S	95.3	Very high	94.5	Very high	33 Å²	33	45 Å²	45	23%	0.231	25%	0.251	C	S	.	.			trans	-66.2	133.1	-174.7	-172.4	0	0	0	0	112.3	A199 C200 L201 A205 R288	A199-S203 PolarHBondContact O-N 3.14Å; A199-S203 VanDerWaalsContact O-N 3.16Å; C200-S203 WeakPolarHBondContact O-CB 3.48Å; C200-S203 PolarHBondContact O-N 3.35Å; C200-S203 VanDerWaalsContact O-N 3.1Å; L201-S203 VanDerWaalsContact C-N 3.34Å; S203-A205 VanDerWaalsContact C-N 3.27Å; S203-A205 PolarHBondContact OG-N 2.91Å; S203-R288 PolarHBondContact O-NE 2.91Å
204	D	92.9	Very high	94.6	Very high	93 Å²	93	40.2 Å²	40.2	50%	0.497	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-30.6	167.3	-72	-45.3	0	0	0	111.7	L206 R241 P289	D204-L206 PolarHBondContact O-N 3.45Å; D204-R241 IonicContact OD1-CZ 3.57Å; D204-R241 IonicContact OD1-NH1 3.98Å; D204-R241 PolarHBondContact OD1-NH1 3.39Å; D204-R241 IonicContact OD1-NH2 2.84Å; D204-R241 PolarHBondContact OD1-NH2 3.17Å; D204-P289 VanDerWaalsContact O-CD 3.27Å; D204-P289 WeakPolarHBondContact O-CD 3.4Å
205	A	93.8	Very high	94.6	Very high	70 Å²	70	37.4 Å²	37.4	58%	0.579	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	2.7	-177.5	0	0	0	0	0	113.9	V177 S203 N207	V177-A205 VanDerWaalsContact CG1-C 3.45Å; V177-A205 HydrophobicContact CG1-CB 3.99Å; V177-A205 VanDerWaalsContact CG1-O 3.29Å; V177-A205 WeakPolarHBondContact CG1-O 3.3Å; S203-A205 VanDerWaalsContact C-N 3.27Å; S203-A205 PolarHBondContact OG-N 2.91Å; A205-N207 PolarHBondContact O-N 3.48Å; A205-N207 VanDerWaalsContact O-N 3.09Å
206	L	96.1	Very high	94.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.			trans	-58.1	115.1	-178.8	-169.5	72.4	0	0	0	111.1	F180 C200 L201 D204 I208 R288 A290	F180-L206 HydrophobicContact CB-CD1 3.54Å; F180-L206 HydrophobicContact CB-CG 4.24Å; F180-L206 HydrophobicContact CD1-CD1 3.89Å; F180-L206 HydrophobicContact CD1-CD2 4.15Å; F180-L206 HydrophobicContact CD1-CG 4.16Å; F180-L206 HydrophobicContact CD2-CD1 3.62Å; F180-L206 HydrophobicContact CE1-CD2 4.28Å; F180-L206 HydrophobicContact CE2-CD1 4.26Å; F180-L206 HydrophobicContact CG-CD1 3.4Å; F180-L206 HydrophobicContact CG-CD2 4.5Å; F180-L206 HydrophobicContact CG-CG 4.13Å; C200-L206 HydrophobicContact CB-CD1 3.84Å; C200-L206 WeakPolarHBondContact O-CD1 3.34Å; L201-L206 HydrophobicContact CD2-CD2 4.33Å; D204-L206 PolarHBondContact O-N 3.45Å; L206-I208 HydrophobicContact CD2-CG2 4.39Å; L206-I208 PolarHBondContact O-N 3.01Å; L206-R288 VanDerWaalsContact CD2-CZ 3.43Å; L206-A290 WeakPolarHBondContact O-CB 3.28Å
207	N	95.2	Very high	94.7	Very high	77 Å²	77	35.4 Å²	35.4	41%	0.412	20%	0.204	S	C	.	.			trans	-80.7	100.7	178.8	-174.2	18.4	0	0	0	110.4	V177 G178 S181 A205	V177-N207 WeakPolarHBondContact O-CB 2.99Å; V177-N207 PolarHBondContact O-N 2.96Å; G178-N207 WeakPolarHBondContact O-CB 3.49Å; G178-N207 PolarHBondContact O-ND2 3.48Å; S181-N207 PolarHBondContact N-O 3.37Å; S181-N207 VanDerWaalsContact N-O 3.15Å; A205-N207 PolarHBondContact O-N 3.48Å; A205-N207 VanDerWaalsContact O-N 3.09Å
208	I	94.8	Very high	94.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	20%	0.204	C	C	.	.			trans	-146.4	141.7	-179.9	-156.7	165.6	0	0	0	110.4	F180 L206 S210 A213 A214 T291	F180-I208 HydrophobicContact CD1-CD1 3.93Å; F180-I208 HydrophobicContact CE1-CD1 3.93Å; L206-I208 HydrophobicContact CD2-CG2 4.39Å; L206-I208 PolarHBondContact O-N 3.01Å; I208-S210 VanDerWaalsContact C-N 3.29Å; I208-S210 PolarHBondContact O-N 2.87Å; I208-A213 VanDerWaalsContact CD1-C 3.49Å; I208-A213 HydrophobicContact CD1-CB 3.98Å; I208-A213 HydrophobicContact CG1-CB 3.87Å; I208-A214 HydrophobicContact CD1-CB 3.71Å; I208-T291 HydrophobicContact CG2-CG2 3.91Å
209	P	92	Very high	94.6	Very high	59 Å²	59	34.3 Å²	34.3	38%	0.383	20%	0.199	S	C	.	.	S	Bend	trans	-68.4	-27.4	-174.4	24	-36.1	0	0	0	113.9	S181 A213 R605	S181-P209 VanDerWaalsContact OG-CD 3.29Å; S181-P209 WeakPolarHBondContact OG-CD 3.5Å; P209-A213 HydrophobicContact CG-CB 4.06Å; P209-R605 PolarHBondContact O-NH1 3.28Å
210	S	93.1	Very high	94.6	Very high	21 Å²	21	35.3 Å²	35.3	15%	0.147	19%	0.191	C	C	.	.			trans	-158.5	160.6	177.6	73.4	0	0	0	0	111.7	I208 E212 A213 A214 Y606	I208-S210 VanDerWaalsContact C-N 3.29Å; I208-S210 PolarHBondContact O-N 2.87Å; S210-E212 PolarHBondContact O-N 2.89Å; S210-E212 PolarHBondContact OG-N 3.1Å; S210-A213 WeakPolarHBondContact O-CB 3.5Å; S210-A213 PolarHBondContact O-N 3.05Å; S210-A213 PolarHBondContact OG-N 2.82Å; S210-A213 VanDerWaalsContact OG-N 3.17Å; S210-A214 PolarHBondContact O-N 2.87Å; S210-Y606 WeakPolarHBondContact CB-OH 3.43Å; S210-Y606 PolarHBondContact OG-OH 3.08Å; S210-Y606 VanDerWaalsContact OG-OH 3.1Å
211	E	92.9	Very high	94.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-64.3	-25.7	171.7	-66.3	-55.8	148.4	0	0	111.9	A213 A214 V215 T240 H244 L245 R288 T291	E211-A213 VanDerWaalsContact C-N 3.33Å; E211-A214 WeakPolarHBondContact O-CA 3.44Å; E211-A214 VanDerWaalsContact O-CB 3.25Å; E211-A214 WeakPolarHBondContact O-CB 3.27Å; E211-A214 PolarHBondContact O-N 2.74Å; E211-V215 WeakPolarHBondContact O-CG2 3.31Å; E211-V215 PolarHBondContact O-N 3.35Å; E211-V215 VanDerWaalsContact O-N 3.07Å; E211-T240 VanDerWaalsContact OE2-O 3.06Å; E211-H244 HydrophobicContact CG-CB 3.97Å; E211-L245 HydrophobicContact CB-CD2 3.81Å; E211-L245 HydrophobicContact CB-CG 4.37Å; E211-R288 VanDerWaalsContact CD-NH1 3.28Å; E211-R288 WeakPolarHBondContact OE1-CD 3.12Å; E211-R288 WeakPolarHBondContact OE1-CG 3.48Å; E211-R288 IonicContact OE1-CZ 3.71Å; E211-R288 IonicContact OE1-NE 2.71Å; E211-R288 IonicContact OE1-NH1 3.97Å; E211-R288 PolarHBondContact OE1-NH1 3.49Å; E211-R288 IonicContact OE2-CZ 3.08Å; E211-R288 IonicContact OE2-NH1 2.64Å; E211-R288 PolarHBondContact OE2-NH1 2.63Å; E211-R288 IonicContact OE2-NH2 2.84Å; E211-T291 HydrophobicContact CG-CG2 4.45Å
212	E	92.9	Very high	94.6	Very high	42 Å²	42	35.3 Å²	35.3	20%	0.196	19%	0.19	C	C	.	.	H	α-helix	trans	-66.8	-41.7	177.4	-175.3	176.9	178.5	0	0	109.5	S210 A214 V215 M216 L245 Y606	S210-E212 PolarHBondContact O-N 2.89Å; S210-E212 PolarHBondContact OG-N 3.1Å; E212-A214 PolarHBondContact O-N 2.9Å; E212-V215 WeakPolarHBondContact O-CB 3.37Å; E212-V215 PolarHBondContact O-N 2.84Å; E212-V215 VanDerWaalsContact O-N 3.17Å; E212-M216 WeakPolarHBondContact O-CG 3.49Å; E212-M216 PolarHBondContact O-N 3Å; E212-L245 HydrophobicContact CB-CD2 3.8Å; E212-Y606 WeakPolarHBondContact CB-OH 3.46Å; E212-Y606 PolarHBondContact OE2-OH 3.11Å; E212-Y606 VanDerWaalsContact OE2-OH 3.13Å
213	A	94	Very high	94.5	Very high	25 Å²	25	32.6 Å²	32.6	21%	0.207	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-30.6	172.9	0	0	0	0	0	112	I208 P209 S210 E211 S217	I208-A213 VanDerWaalsContact CD1-C 3.49Å; I208-A213 HydrophobicContact CD1-CB 3.98Å; I208-A213 HydrophobicContact CG1-CB 3.87Å; P209-A213 HydrophobicContact CG-CB 4.06Å; S210-A213 WeakPolarHBondContact O-CB 3.5Å; S210-A213 PolarHBondContact O-N 3.05Å; S210-A213 PolarHBondContact OG-N 2.82Å; S210-A213 VanDerWaalsContact OG-N 3.17Å; E211-A213 VanDerWaalsContact C-N 3.33Å; A213-S217 VanDerWaalsContact O-CB 3.29Å; A213-S217 WeakPolarHBondContact O-CB 3.49Å; A213-S217 PolarHBondContact O-N 2.9Å; A213-S217 PolarHBondContact O-OG 3.39Å
214	A	95.5	Very high	94.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.4	-46.5	174.4	0	0	0	0	0	110.9	L201 I208 S210 E211 E212 S217 L218 T240	L201-A214 HydrophobicContact CD2-CB 4.49Å; I208-A214 HydrophobicContact CD1-CB 3.71Å; S210-A214 PolarHBondContact O-N 2.87Å; E211-A214 WeakPolarHBondContact O-CA 3.44Å; E211-A214 VanDerWaalsContact O-CB 3.25Å; E211-A214 WeakPolarHBondContact O-CB 3.27Å; E211-A214 PolarHBondContact O-N 2.74Å; E212-A214 PolarHBondContact O-N 2.9Å; A214-S217 PolarHBondContact O-N 2.89Å; A214-L218 PolarHBondContact O-N 2.65Å; A214-T240 HydrophobicContact CB-CG2 4.42Å
215	V	94.6	Very high	94.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-49.3	174.6	-175.3	0	0	0	0	110.7	E211 E212 S217 L218 L219 M237 T240 L242 L245 L253	E211-V215 WeakPolarHBondContact O-CG2 3.31Å; E211-V215 PolarHBondContact O-N 3.35Å; E211-V215 VanDerWaalsContact O-N 3.07Å; E212-V215 WeakPolarHBondContact O-CB 3.37Å; E212-V215 PolarHBondContact O-N 2.84Å; E212-V215 VanDerWaalsContact O-N 3.17Å; V215-S217 VanDerWaalsContact C-N 3.31Å; V215-S217 PolarHBondContact O-N 3.04Å; V215-L218 WeakPolarHBondContact O-CB 3.46Å; V215-L218 PolarHBondContact O-N 2.79Å; V215-L219 HydrophobicContact CG1-CD1 4.04Å; V215-L219 HydrophobicContact CG1-CG 4.37Å; V215-L219 WeakPolarHBondContact O-CG 3.48Å; V215-L219 PolarHBondContact O-N 3.45Å; V215-M237 HydrophobicContact CG1-CE 4.13Å; V215-M237 HydrophobicContact CG1-SD 4.33Å; V215-M237 HydrophobicContact CG2-CE 3.94Å; V215-T240 WeakPolarHBondContact CG2-OG1 3.48Å; V215-L242 HydrophobicContact CG2-CD2 3.69Å; V215-L245 HydrophobicContact CG2-CD1 4.09Å; V215-L253 HydrophobicContact CG1-CD1 4.36Å; V215-L253 HydrophobicContact CG1-CD2 4.4Å
216	M	94.1	Very high	94.4	Very high	81 Å²	81	34.1 Å²	34.1	40%	0.399	18%	0.176	S	C	.	.	H	α-helix	trans	-64.5	-36.6	-178.7	-65.2	-51.7	-64.3	0	0	112.3	E212 L219 R220 L253	E212-M216 WeakPolarHBondContact O-CG 3.49Å; E212-M216 PolarHBondContact O-N 3Å; M216-L219 PolarHBondContact O-N 2.87Å; M216-L219 HydrophobicContact SD-CD1 4.16Å; M216-R220 WeakPolarHBondContact O-CB 3.36Å; M216-R220 PolarHBondContact O-N 3.05Å; M216-L253 HydrophobicContact SD-CD2 3.96Å
217	S	96.4	Very high	94	Very high	8 Å²	8	39.4 Å²	39.4	6%	0.056	21%	0.21	C	C	.	.	H	α-helix	trans	-64.7	-44	174.8	-58.8	0	0	0	0	111.4	S184 F189 A213 A214 V215 R220 W221	S184-S217 WeakPolarHBondContact CB-OG 3.44Å; S184-S217 PolarHBondContact OG-OG 3.06Å; F189-S217 WeakPolarHBondContact CE1-O 3.35Å; F189-S217 WeakPolarHBondContact CZ-O 3.49Å; A213-S217 VanDerWaalsContact O-CB 3.29Å; A213-S217 WeakPolarHBondContact O-CB 3.49Å; A213-S217 PolarHBondContact O-N 2.9Å; A213-S217 PolarHBondContact O-OG 3.39Å; A214-S217 PolarHBondContact O-N 2.89Å; V215-S217 VanDerWaalsContact C-N 3.31Å; V215-S217 PolarHBondContact O-N 3.04Å; S217-R220 PolarHBondContact O-N 3.47Å; S217-W221 PolarHBondContact O-N 2.81Å
218	L	96.4	Very high	93.8	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-46.9	174.8	173.6	60.8	0	0	0	111.5	L197 L201 A214 V215 R220 W221 I222 L233 L236 M237 T240	L197-L218 HydrophobicContact CD2-CD1 4.08Å; L201-L218 HydrophobicContact CD1-CD1 4.27Å; L201-L218 HydrophobicContact CD1-CD2 4.44Å; A214-L218 PolarHBondContact O-N 2.65Å; V215-L218 WeakPolarHBondContact O-CB 3.46Å; V215-L218 PolarHBondContact O-N 2.79Å; L218-R220 VanDerWaalsContact C-N 3.33Å; L218-R220 PolarHBondContact O-N 3.5Å; L218-W221 PolarHBondContact O-N 3.32Å; L218-I222 HydrophobicContact CD1-CD1 3.88Å; L218-I222 HydrophobicContact CD1-CG1 4.25Å; L218-I222 HydrophobicContact CG-CD1 3.94Å; L218-I222 WeakPolarHBondContact O-CG1 3.3Å; L218-I222 PolarHBondContact O-N 2.63Å; L218-L233 HydrophobicContact CD2-CD1 4.48Å; L218-L236 HydrophobicContact CD1-CB 3.75Å; L218-L236 HydrophobicContact CD1-CD1 3.69Å; L218-L236 HydrophobicContact CD1-CG 4.37Å; L218-L236 HydrophobicContact CD2-CB 3.89Å; L218-L236 HydrophobicContact CG-CB 4.49Å; L218-M237 HydrophobicContact CD2-CE 4.43Å; L218-T240 HydrophobicContact CD2-CG2 3.93Å
219	L	94.2	Very high	93.7	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-42.4	177.6	-70.3	173.7	0	0	0	111.3	V215 M216 W221 I222 H223 L233 E257 L260	V215-L219 HydrophobicContact CG1-CD1 4.04Å; V215-L219 HydrophobicContact CG1-CG 4.37Å; V215-L219 WeakPolarHBondContact O-CG 3.48Å; V215-L219 PolarHBondContact O-N 3.45Å; M216-L219 PolarHBondContact O-N 2.87Å; M216-L219 HydrophobicContact SD-CD1 4.16Å; L219-W221 VanDerWaalsContact C-N 3.31Å; L219-W221 PolarHBondContact O-N 3.4Å; L219-I222 PolarHBondContact O-N 2.67Å; L219-H223 PolarHBondContact O-N 2.8Å; L219-H223 PolarHBondContact O-ND1 2.97Å; L219-L233 HydrophobicContact CD2-CD1 4.29Å; L219-E257 HydrophobicContact CD1-CG 3.73Å; L219-L260 HydrophobicContact CD1-CD1 4.34Å
220	R	95.6	Very high	93.6	Very high	78 Å²	78	40.7 Å²	40.7	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-57.9	-43.9	175.7	-176.6	-179.1	-179.8	-112.6	-5.7	111.7	S184 K185 T186 L190 M216 S217 L218 H224	S184-R220 PolarHBondContact O-NH1 2.64Å; K185-R220 PolarHBondContact O-NH2 3.24Å; T186-R220 PolarHBondContact O-NH1 2.77Å; T186-R220 PolarHBondContact O-NH2 2.86Å; L190-R220 HydrophobicContact CD2-CG 3.89Å; M216-R220 WeakPolarHBondContact O-CB 3.36Å; M216-R220 PolarHBondContact O-N 3.05Å; S217-R220 PolarHBondContact O-N 3.47Å; L218-R220 VanDerWaalsContact C-N 3.33Å; L218-R220 PolarHBondContact O-N 3.5Å; R220-H224 PolarHBondContact O-N 2.84Å
221	W	96.9	Very high	93.4	Very high	5 Å²	5	47.9 Å²	47.9	2%	0.019	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-40.7	176.5	-176.9	88.2	0	0	0	112.4	F189 M192 E194 L197 S217 L218 L219 H224 R229 L232 L236	F189-W221 HydrophobicContact CE1-CB 3.81Å; F189-W221 HydrophobicContact CZ-CB 4.08Å; M192-W221 PolarHBondContact O-NE1 3.12Å; E194-W221 HydrophobicContact CB-CH2 4.24Å; E194-W221 HydrophobicContact CB-CZ2 4.48Å; E194-W221 HydrophobicContact CG-CH2 4.45Å; L197-W221 HydrophobicContact CD2-CB 4.15Å; L197-W221 HydrophobicContact CD2-CD2 3.48Å; L197-W221 VanDerWaalsContact CD2-CD2 3.48Å; L197-W221 HydrophobicContact CD2-CE3 3.68Å; L197-W221 HydrophobicContact CD2-CG 3.69Å; L197-W221 HydrophobicContact CD2-CZ2 4.48Å; L197-W221 HydrophobicContact CD2-CZ3 4.28Å; S217-W221 PolarHBondContact O-N 2.81Å; L218-W221 PolarHBondContact O-N 3.32Å; L219-W221 VanDerWaalsContact C-N 3.31Å; L219-W221 PolarHBondContact O-N 3.4Å; W221-H224 PolarHBondContact O-N 2.75Å; W221-R229 VanDerWaalsContact CE2-CZ 3.44Å; W221-R229 HydrophobicContact CE3-CB 4.48Å; W221-R229 HydrophobicContact CE3-CG 4.4Å; W221-R229 HydrophobicContact CH2-CB 4.47Å; W221-R229 HydrophobicContact CH2-CG 3.88Å; W221-R229 HydrophobicContact CZ2-CG 4.46Å; W221-R229 HydrophobicContact CZ3-CB 3.98Å; W221-R229 HydrophobicContact CZ3-CG 3.85Å; W221-R229 WeakPolarHBondContact O-CD 3.26Å; W221-R229 PolarHBondContact O-NH1 3.05Å; W221-L232 HydrophobicContact CH2-CD1 3.82Å; W221-L232 HydrophobicContact CZ3-CD1 4.05Å; W221-L236 HydrophobicContact CE3-CD1 4.44Å; W221-L236 HydrophobicContact CZ3-CD1 3.89Å
222	I	94.8	Very high	93.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.9	-43.3	178.1	-68.9	169	0	0	0	111.5	L218 L219 H224 D225 L226 R229 L233 L259	L218-I222 HydrophobicContact CD1-CD1 3.88Å; L218-I222 HydrophobicContact CD1-CG1 4.25Å; L218-I222 HydrophobicContact CG-CD1 3.94Å; L218-I222 WeakPolarHBondContact O-CG1 3.3Å; L218-I222 PolarHBondContact O-N 2.63Å; L219-I222 PolarHBondContact O-N 2.67Å; I222-H224 PolarHBondContact O-N 3.09Å; I222-D225 CarbonylContact O-C 3.47Å; I222-D225 PolarHBondContact O-N 3.24Å; I222-L226 HydrophobicContact CG2-CD1 4.16Å; I222-L226 WeakPolarHBondContact O-CA 3.09Å; I222-L226 PolarHBondContact O-N 3.47Å; I222-R229 HydrophobicContact CB-CB 4.48Å; I222-R229 HydrophobicContact CG1-CB 4.38Å; I222-R229 HydrophobicContact CG2-CB 4.33Å; I222-L233 HydrophobicContact CD1-CB 3.84Å; I222-L233 HydrophobicContact CD1-CD1 3.41Å; I222-L233 VanDerWaalsContact CD1-CD1 3.41Å; I222-L233 HydrophobicContact CD1-CG 4.14Å; I222-L259 HydrophobicContact CG2-CD1 4.39Å
223	H	93.8	Very high	93.2	Very high	86 Å²	86	47.6 Å²	47.6	40%	0.398	25%	0.246	S	C	.	.	H	α-helix	trans	-63.4	-25.1	-178.3	-77.6	97.4	0	0	0	113.4	L219 D225 E257	L219-H223 PolarHBondContact O-N 2.8Å; L219-H223 PolarHBondContact O-ND1 2.97Å; H223-D225 VanDerWaalsContact C-N 3.35Å; H223-D225 PolarHBondContact O-N 2.9Å; H223-E257 IonicContact CE1-OE2 2.63Å
224	H	95.1	Very high	92.9	Very high	94 Å²	94	48.9 Å²	48.9	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-63.1	-37.8	177	-175.9	-114.3	0	0	0	113.1	L190 D191 R220 W221 I222	L190-H224 HydrophobicContact CB-CB 4.24Å; L190-H224 HydrophobicContact CD2-CB 4.28Å; D191-H224 IonicContact OD1-CE1 3.46Å; R220-H224 PolarHBondContact O-N 2.84Å; W221-H224 PolarHBondContact O-N 2.75Å; I222-H224 PolarHBondContact O-N 3.09Å
225	D	93.4	Very high	92.7	Very high	71 Å²	71	53.1 Å²	53.1	38%	0.38	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.4	70.1	173.4	175.1	25.7	0	0	0	109.7	I222 H223 G228 R229	I222-D225 CarbonylContact O-C 3.47Å; I222-D225 PolarHBondContact O-N 3.24Å; H223-D225 VanDerWaalsContact C-N 3.35Å; H223-D225 PolarHBondContact O-N 2.9Å; D225-G228 PolarHBondContact O-N 2.81Å; D225-G228 PolarHBondContact OD1-N 3.46Å; D225-R229 HydrophobicContact CB-CG 4.08Å; D225-R229 VanDerWaalsContact O-CB 3.24Å; D225-R229 WeakPolarHBondContact O-CB 3.19Å; D225-R229 WeakPolarHBondContact O-CG 3.45Å; D225-R229 PolarHBondContact O-N 3.46Å
226	L	89.8	Confident	92.6	Very high	64 Å²	64	53.1 Å²	53.1	34%	0.335	27%	0.274	S	S	.	.	H	α-helix	trans	-55.6	-47.7	-174.7	-171.1	72.5	0	0	0	113.2	I222 G228 Q230 L259	I222-L226 HydrophobicContact CG2-CD1 4.16Å; I222-L226 WeakPolarHBondContact O-CA 3.09Å; I222-L226 PolarHBondContact O-N 3.47Å; L226-G228 VanDerWaalsContact C-N 3.34Å; L226-G228 PolarHBondContact O-N 2.82Å; L226-Q230 WeakPolarHBondContact O-CB 3.43Å; L226-Q230 PolarHBondContact O-N 3.43Å; L226-L259 HydrophobicContact CD1-CD1 3.69Å; L226-L259 HydrophobicContact CD1-CD2 3.94Å; L226-L259 HydrophobicContact CD1-CG 4.43Å
227	P	88.9	Confident	92.5	Very high	110 Å²	110	49.4 Å²	49.4	71%	0.714	26%	0.255	S	S	*	.	H	α-helix	trans	-65.4	-35.1	-177.2	-19.9	33.9	0	0	0	113.4
228	G	90.3	Very high	92.3	Very high	41 Å²	41	52.3 Å²	52.3	42%	0.423	27%	0.274	S	S	.	.	H	α-helix	trans	-78.5	-43.7	178.2	0	0	0	0	0	112.9	D225 L226	D225-G228 PolarHBondContact O-N 2.81Å; D225-G228 PolarHBondContact OD1-N 3.46Å; L226-G228 VanDerWaalsContact C-N 3.34Å; L226-G228 PolarHBondContact O-N 2.82Å
229	R	93.8	Very high	92.2	Very high	32 Å²	32	53.7 Å²	53.7	12%	0.121	28%	0.281	C	S	.	.	H	α-helix	trans	-95.3	-17.1	-167	-60.7	175.3	178.7	-178.3	-3.6	114.7	L190 W221 I222 D225 K231 L232	L190-R229 PolarHBondContact O-NH1 3.45Å; L190-R229 PolarHBondContact O-NH2 2.75Å; W221-R229 VanDerWaalsContact CE2-CZ 3.44Å; W221-R229 HydrophobicContact CE3-CB 4.48Å; W221-R229 HydrophobicContact CE3-CG 4.4Å; W221-R229 HydrophobicContact CH2-CB 4.47Å; W221-R229 HydrophobicContact CH2-CG 3.88Å; W221-R229 HydrophobicContact CZ2-CG 4.46Å; W221-R229 HydrophobicContact CZ3-CB 3.98Å; W221-R229 HydrophobicContact CZ3-CG 3.85Å; W221-R229 WeakPolarHBondContact O-CD 3.26Å; W221-R229 PolarHBondContact O-NH1 3.05Å; I222-R229 HydrophobicContact CB-CB 4.48Å; I222-R229 HydrophobicContact CG1-CB 4.38Å; I222-R229 HydrophobicContact CG2-CB 4.33Å; D225-R229 HydrophobicContact CB-CG 4.08Å; D225-R229 VanDerWaalsContact O-CB 3.24Å; D225-R229 WeakPolarHBondContact O-CB 3.19Å; D225-R229 WeakPolarHBondContact O-CG 3.45Å; D225-R229 PolarHBondContact O-N 3.46Å; R229-K231 PolarHBondContact O-N 3.28Å; R229-K231 VanDerWaalsContact O-N 3.11Å; R229-L232 HydrophobicContact CB-CD1 4.48Å; R229-L232 VanDerWaalsContact O-CB 3.32Å; R229-L232 WeakPolarHBondContact O-CB 3.47Å; R229-L232 PolarHBondContact O-N 2.88Å
230	Q	88.9	Confident	92.1	Very high	91 Å²	91	53.6 Å²	53.6	43%	0.425	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-55.4	-34.9	-178.6	-179.3	179.8	11.9	0	0	113	L226 L232 L233 L259	L226-Q230 WeakPolarHBondContact O-CB 3.43Å; L226-Q230 PolarHBondContact O-N 3.43Å; Q230-L232 PolarHBondContact O-N 2.91Å; Q230-L233 VanDerWaalsContact O-CB 3.28Å; Q230-L233 WeakPolarHBondContact O-CB 3.49Å; Q230-L233 PolarHBondContact O-N 3.19Å; Q230-L259 HydrophobicContact CG-CD2 4.47Å
231	K	89.1	Confident	92	Very high	173 Å²	173	50.9 Å²	50.9	75%	0.752	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-65	-30.3	178.7	-62.2	176.8	-174.8	171.7	0	112.6	R229 L233 S234	R229-K231 PolarHBondContact O-N 3.28Å; R229-K231 VanDerWaalsContact O-N 3.11Å; K231-L233 VanDerWaalsContact C-N 3.27Å; K231-L233 PolarHBondContact O-N 2.79Å; K231-S234 PolarHBondContact O-OG 2.91Å
232	L	91.1	Very high	91.8	Very high	33 Å²	33	51.2 Å²	51.2	17%	0.173	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-75.8	-16.9	-179.1	-54.8	174.6	0	0	0	112.3	E194 W221 R229 Q230 S234 E235 L236	E194-L232 HydrophobicContact CG-CD1 4.1Å; E194-L232 VanDerWaalsContact OE2-CD1 3.31Å; E194-L232 WeakPolarHBondContact OE2-CD1 3.24Å; E194-L232 WeakPolarHBondContact OE2-CD2 3.37Å; W221-L232 HydrophobicContact CH2-CD1 3.82Å; W221-L232 HydrophobicContact CZ3-CD1 4.05Å; R229-L232 HydrophobicContact CB-CD1 4.48Å; R229-L232 VanDerWaalsContact O-CB 3.32Å; R229-L232 WeakPolarHBondContact O-CB 3.47Å; R229-L232 PolarHBondContact O-N 2.88Å; Q230-L232 PolarHBondContact O-N 2.91Å; L232-S234 VanDerWaalsContact C-N 3.31Å; L232-S234 PolarHBondContact O-N 3.2Å; L232-E235 PolarHBondContact O-N 2.83Å; L232-L236 HydrophobicContact CB-CD1 4.05Å; L232-L236 HydrophobicContact CB-CG 4.44Å; L232-L236 WeakPolarHBondContact O-CG 3.17Å; L232-L236 PolarHBondContact O-N 3.29Å
233	L	90.5	Very high	91.6	Very high	3 Å²	3	52 Å²	52	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-55.2	-46.6	-178.9	-179.2	58.8	0	0	0	111.7	L218 L219 I222 Q230 K231 E235 L236 M237 L259 L260 C266	L218-L233 HydrophobicContact CD2-CD1 4.48Å; L219-L233 HydrophobicContact CD2-CD1 4.29Å; I222-L233 HydrophobicContact CD1-CB 3.84Å; I222-L233 HydrophobicContact CD1-CD1 3.41Å; I222-L233 VanDerWaalsContact CD1-CD1 3.41Å; I222-L233 HydrophobicContact CD1-CG 4.14Å; Q230-L233 VanDerWaalsContact O-CB 3.28Å; Q230-L233 WeakPolarHBondContact O-CB 3.49Å; Q230-L233 PolarHBondContact O-N 3.19Å; K231-L233 VanDerWaalsContact C-N 3.27Å; K231-L233 PolarHBondContact O-N 2.79Å; L233-E235 PolarHBondContact O-N 3.36Å; L233-L236 PolarHBondContact O-N 3.29Å; L233-M237 HydrophobicContact CD1-CB 4.33Å; L233-M237 HydrophobicContact CD1-SD 4.48Å; L233-M237 WeakPolarHBondContact O-CB 3.26Å; L233-M237 PolarHBondContact O-N 3.42Å; L233-L259 HydrophobicContact CD2-CB 4.16Å; L233-L260 HydrophobicContact CD1-CD2 4.49Å; L233-L260 HydrophobicContact CD2-CD2 4.25Å; L233-C266 VanDerWaalsContact CD2-SG 3.57Å
234	S	87.6	Confident	91.5	Very high	53 Å²	53	48.4 Å²	48.4	37%	0.371	26%	0.259	S	S	.	.	H	α-helix	trans	-61.8	-27.2	-179.6	65.5	0	0	0	0	113.7	K231 L232 P238	K231-S234 PolarHBondContact O-OG 2.91Å; L232-S234 VanDerWaalsContact C-N 3.31Å; L232-S234 PolarHBondContact O-N 3.2Å; S234-P238 WeakPolarHBondContact O-CD 3.22Å
235	E	90.8	Very high	91.3	Very high	89 Å²	89	44 Å²	44	42%	0.416	24%	0.239	S	C	.	.	H	α-helix	trans	-88.8	-38.5	179.4	-178.7	174.9	179.4	0	0	112.7	K198 L232 L233 P238	K198-E235 WeakPolarHBondContact CE-OE1 3.22Å; K198-E235 IonicContact NZ-OE1 3.57Å; K198-E235 PolarHBondContact NZ-OE1 3.38Å; L232-E235 PolarHBondContact O-N 2.83Å; L233-E235 PolarHBondContact O-N 3.36Å; E235-P238 WeakPolarHBondContact O-CD 3.35Å
236	L	93.7	Very high	91.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-83.5	-29	-176.5	-63.9	176.9	0	0	0	112.6	L197 K198 L218 W221 L232 L233 L239	L197-L236 HydrophobicContact CD2-CD1 4.48Å; K198-L236 HydrophobicContact CB-CD2 3.98Å; K198-L236 HydrophobicContact CD-CD2 4.48Å; K198-L236 HydrophobicContact CG-CD2 4.07Å; L218-L236 HydrophobicContact CD1-CB 3.75Å; L218-L236 HydrophobicContact CD1-CD1 3.69Å; L218-L236 HydrophobicContact CD1-CG 4.37Å; L218-L236 HydrophobicContact CD2-CB 3.89Å; L218-L236 HydrophobicContact CG-CB 4.49Å; W221-L236 HydrophobicContact CE3-CD1 4.44Å; W221-L236 HydrophobicContact CZ3-CD1 3.89Å; L232-L236 HydrophobicContact CB-CD1 4.05Å; L232-L236 HydrophobicContact CB-CG 4.44Å; L232-L236 WeakPolarHBondContact O-CG 3.17Å; L232-L236 PolarHBondContact O-N 3.29Å; L233-L236 PolarHBondContact O-N 3.29Å; L236-L239 HydrophobicContact CD2-CD1 4.03Å; L236-L239 VanDerWaalsContact O-CB 3.25Å; L236-L239 WeakPolarHBondContact O-CB 3.37Å; L236-L239 WeakPolarHBondContact O-CG 3.31Å; L236-L239 PolarHBondContact O-N 2.8Å
237	M	91.5	Very high	91.2	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.015	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-60.1	-43.2	-176.2	-175.7	71.1	-86	0	0	113.7	V215 L218 L233 L239 T240 L242 L260 L269	V215-M237 HydrophobicContact CG1-CE 4.13Å; V215-M237 HydrophobicContact CG1-SD 4.33Å; V215-M237 HydrophobicContact CG2-CE 3.94Å; L218-M237 HydrophobicContact CD2-CE 4.43Å; L233-M237 HydrophobicContact CD1-CB 4.33Å; L233-M237 HydrophobicContact CD1-SD 4.48Å; L233-M237 WeakPolarHBondContact O-CB 3.26Å; L233-M237 PolarHBondContact O-N 3.42Å; M237-L239 PolarHBondContact O-N 2.89Å; M237-T240 HydrophobicContact CE-CG2 3.68Å; M237-T240 WeakPolarHBondContact CE-OG1 3.33Å; M237-T240 PolarHBondContact O-N 3.1Å; M237-T240 VanDerWaalsContact O-N 3.16Å; M237-T240 PolarHBondContact O-OG1 3.17Å; M237-L242 HydrophobicContact CE-CD1 3.85Å; M237-L242 HydrophobicContact CE-CD2 3.53Å; M237-L242 HydrophobicContact CE-CG 3.68Å; M237-L242 HydrophobicContact CG-CD1 3.83Å; M237-L242 HydrophobicContact SD-CD1 4.11Å; M237-L242 HydrophobicContact SD-CD2 4.32Å; M237-L260 HydrophobicContact SD-CD2 4.3Å; M237-L269 HydrophobicContact CB-CD1 3.93Å; M237-L269 HydrophobicContact CG-CD1 3.89Å
238	P	91.8	Very high	91.3	Very high	68 Å²	68	39.6 Å²	39.6	44%	0.442	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-57.4	-22.1	174.8	-25.2	35	0	0	0	114.4	S234 E235 T240 L269	S234-P238 WeakPolarHBondContact O-CD 3.22Å; E235-P238 WeakPolarHBondContact O-CD 3.35Å; P238-T240 VanDerWaalsContact C-N 3.31Å; P238-T240 PolarHBondContact O-N 3.43Å; P238-L269 HydrophobicContact CG-CD1 4.06Å; P238-L269 HydrophobicContact CG-CD2 3.94Å
239	L	94.4	Very high	91.3	Very high	31 Å²	31	38.6 Å²	38.6	16%	0.162	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-77	-14.1	-177.5	-50.6	177.9	0	0	0	113.2	K198 L201 R202 L236 M237 R241 R288	K198-L239 HydrophobicContact CG-CD1 3.79Å; L201-L239 HydrophobicContact CB-CB 3.72Å; L201-L239 HydrophobicContact CB-CD1 4.36Å; L201-L239 HydrophobicContact CD1-CB 4.47Å; L201-L239 VanDerWaalsContact O-O 3.08Å; R202-L239 HydrophobicContact CG-CD1 4.09Å; R202-L239 HydrophobicContact CG-CD2 3.76Å; R202-L239 HydrophobicContact CG-CG 4.4Å; L236-L239 HydrophobicContact CD2-CD1 4.03Å; L236-L239 VanDerWaalsContact O-CB 3.25Å; L236-L239 WeakPolarHBondContact O-CB 3.37Å; L236-L239 WeakPolarHBondContact O-CG 3.31Å; L236-L239 PolarHBondContact O-N 2.8Å; M237-L239 PolarHBondContact O-N 2.89Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R288 PolarHBondContact O-NH2 2.91Å
240	T	92.8	Very high	91.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-92.2	14.4	179.2	79.4	0	0	0	0	113.4	L201 E211 A214 V215 L218 M237 P238 L242	L201-T240 HydrophobicContact CD1-CG2 4.28Å; L201-T240 HydrophobicContact CD2-CG2 4.19Å; E211-T240 VanDerWaalsContact OE2-O 3.06Å; A214-T240 HydrophobicContact CB-CG2 4.42Å; V215-T240 WeakPolarHBondContact CG2-OG1 3.48Å; L218-T240 HydrophobicContact CD2-CG2 3.93Å; M237-T240 HydrophobicContact CE-CG2 3.68Å; M237-T240 WeakPolarHBondContact CE-OG1 3.33Å; M237-T240 PolarHBondContact O-N 3.1Å; M237-T240 VanDerWaalsContact O-N 3.16Å; M237-T240 PolarHBondContact O-OG1 3.17Å; P238-T240 VanDerWaalsContact C-N 3.31Å; P238-T240 PolarHBondContact O-N 3.43Å; T240-L242 PolarHBondContact O-N 2.84Å
241	R	92.7	Very high	91.2	Very high	22 Å²	22	36.7 Å²	36.7	8%	0.083	21%	0.207	C	C	.	.			trans	48.8	49.5	172.4	-40.9	-174.9	-178.3	179.2	-2.2	114.2	D204 L239 H243 H244 D286	D204-R241 IonicContact OD1-CZ 3.57Å; D204-R241 IonicContact OD1-NH1 3.98Å; D204-R241 PolarHBondContact OD1-NH1 3.39Å; D204-R241 IonicContact OD1-NH2 2.84Å; D204-R241 PolarHBondContact OD1-NH2 3.17Å; L239-R241 VanDerWaalsContact C-N 3.31Å; R241-H243 PolarHBondContact O-N 3.39Å; R241-H244 WeakPolarHBondContact O-CB 3.45Å; R241-H244 PolarHBondContact O-N 3.25Å; R241-D286 WeakPolarHBondContact CD-O 3.19Å; R241-D286 PolarHBondContact NH1-O 2.88Å
242	L	92.2	Very high	91.3	Very high	11 Å²	11	34.6 Å²	34.6	6%	0.058	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-48.3	-29.6	-176	-72.3	173.9	0	0	0	114.8	V215 M237 T240 H244 L245 L250 L269 L270 A273	V215-L242 HydrophobicContact CG2-CD2 3.69Å; M237-L242 HydrophobicContact CE-CD1 3.85Å; M237-L242 HydrophobicContact CE-CD2 3.53Å; M237-L242 HydrophobicContact CE-CG 3.68Å; M237-L242 HydrophobicContact CG-CD1 3.83Å; M237-L242 HydrophobicContact SD-CD1 4.11Å; M237-L242 HydrophobicContact SD-CD2 4.32Å; T240-L242 PolarHBondContact O-N 2.84Å; L242-H244 PolarHBondContact O-N 2.85Å; L242-H244 VanDerWaalsContact O-N 3.17Å; L242-L245 HydrophobicContact CD2-CD1 4.03Å; L242-L245 WeakPolarHBondContact O-CB 3.28Å; L242-L245 PolarHBondContact O-N 2.93Å; L242-L245 VanDerWaalsContact O-N 3.08Å; L242-L250 HydrophobicContact CB-CD2 4.41Å; L242-L250 HydrophobicContact CD2-CD2 4.24Å; L242-L269 HydrophobicContact CD1-CB 4.42Å; L242-L270 HydrophobicContact CD1-CD2 4.3Å; L242-A273 HydrophobicContact CB-CB 3.73Å
243	H	91.9	Very high	91.2	Very high	17 Å²	17	33.2 Å²	33.2	8%	0.079	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-62.3	-17.7	178.8	55.8	-87.5	0	0	0	113.8	R241 R276 Q277 F284 D286	R241-H243 PolarHBondContact O-N 3.39Å; H243-R276 HydrophobicContact CB-CB 3.95Å; H243-Q277 WeakPolarHBondContact O-CG 3.29Å; H243-Q277 PolarHBondContact O-NE2 3.03Å; H243-F284 HydrophobicContact CB-CE1 4.1Å; H243-F284 HydrophobicContact CB-CZ 4.11Å; H243-F284 AromaticContact CD2-CD1 3.41Å; H243-F284 VanDerWaalsContact CD2-CD1 3.41Å; H243-F284 WeakPolarHBondContact CD2-CD1 3.37Å; H243-F284 AromaticContact CD2-CE1 3.35Å; H243-F284 WeakPolarHBondContact CD2-CE1 3.44Å; H243-F284 AromaticContact CD2-CZ 3.95Å; H243-F284 AromaticContact CG-CE1 4Å; H243-D286 IonicContact CD2-OD1 3.3Å; H243-D286 IonicContact CE1-OD1 2.96Å; H243-D286 IonicContact CE1-OD2 3.61Å; H243-D286 PolarHBondContact CE1-OD2 3.12Å; H243-D286 VanDerWaalsContact NE2-CG 3.29Å; H243-D286 IonicContact NE2-OD1 3.62Å; H243-D286 PolarHBondContact NE2-OD1 2.87Å; H243-D286 IonicContact NE2-OD2 2.79Å; H243-D286 PolarHBondContact NE2-OD2 2.89Å
244	H	91.6	Very high	91.1	Very high	11 Å²	11	38.2 Å²	38.2	5%	0.051	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-79.4	-13	173.9	-78	-77.2	0	0	0	114.5	E211 R241 L242 F284 D286 N604	E211-H244 HydrophobicContact CG-CB 3.97Å; R241-H244 WeakPolarHBondContact O-CB 3.45Å; R241-H244 PolarHBondContact O-N 3.25Å; L242-H244 PolarHBondContact O-N 2.85Å; L242-H244 VanDerWaalsContact O-N 3.17Å; H244-F284 VanDerWaalsContact CE1-CB 3.48Å; H244-F284 WeakPolarHBondContact CE1-CB 3.45Å; H244-D286 IonicContact CD2-OD1 3.5Å; H244-D286 IonicContact CE1-OD1 3.76Å; H244-D286 IonicContact NE2-OD1 3.18Å; H244-D286 PolarHBondContact NE2-OD1 3.22Å; H244-N604 PolarHBondContact ND1-ND2 2.84Å
245	L	91.4	Very high	91.1	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	23%	0.225	C	C	.	.	S	Bend	trans	-82.3	142.3	-178.4	-64.3	-178.1	0	0	0	112.6	E211 E212 V215 L242 L250 L253 Q277 Y606	E211-L245 HydrophobicContact CB-CD2 3.81Å; E211-L245 HydrophobicContact CB-CG 4.37Å; E212-L245 HydrophobicContact CB-CD2 3.8Å; V215-L245 HydrophobicContact CG2-CD1 4.09Å; L242-L245 HydrophobicContact CD2-CD1 4.03Å; L242-L245 WeakPolarHBondContact O-CB 3.28Å; L242-L245 PolarHBondContact O-N 2.93Å; L242-L245 VanDerWaalsContact O-N 3.08Å; L245-L250 HydrophobicContact CB-CD2 3.91Å; L245-L250 HydrophobicContact CB-CG 4.04Å; L245-L250 HydrophobicContact CD1-CD2 3.92Å; L245-L250 HydrophobicContact CG-CD2 4.47Å; L245-L253 HydrophobicContact CD1-CD1 3.77Å; L245-Q277 PolarHBondContact O-NE2 3.09Å; L245-Y606 HydrophobicContact CD2-CE2 3.87Å
246	P	90.2	Very high	90.9	Very high	39 Å²	39	41.6 Å²	41.6	25%	0.253	23%	0.227	S	C	.	.			trans	-55.5	146.2	173.1	-27.1	36.3	0	0	0	112.8	A248 S249 L250 Y606	P246-A248 PolarHBondContact O-N 3Å; P246-A248 VanDerWaalsContact O-N 3.12Å; P246-S249 WeakPolarHBondContact O-CA 3.38Å; P246-S249 WeakPolarHBondContact O-CB 3.47Å; P246-S249 PolarHBondContact O-N 3.47Å; P246-L250 PolarHBondContact O-N 3.09Å; P246-Y606 HydrophobicContact CG-CD1 3.94Å; P246-Y606 HydrophobicContact CG-CD2 4.23Å; P246-Y606 HydrophobicContact CG-CG 3.67Å
247	A	89.8	Confident	90.6	Very high	43 Å²	43	43.1 Å²	43.1	36%	0.355	23%	0.234	S	C	.	.	H	α-helix	trans	-55	-33.9	177.5	0	0	0	0	0	112.8	L250 M251	A247-L250 PolarHBondContact O-N 3.48Å; A247-M251 WeakPolarHBondContact O-CE 3.41Å; A247-M251 WeakPolarHBondContact O-CG 3.4Å; A247-M251 PolarHBondContact O-N 2.96Å
248	A	90.5	Very high	90.2	Very high	70 Å²	70	47.3 Å²	47.3	58%	0.579	26%	0.261	S	S	*	.	H	α-helix	trans	-64	-43.6	173.8	0	0	0	0	0	112.5	P246 M251 K252	P246-A248 PolarHBondContact O-N 3Å; P246-A248 VanDerWaalsContact O-N 3.12Å; A248-M251 PolarHBondContact O-N 3.34Å; A248-K252 WeakPolarHBondContact O-CB 3.23Å; A248-K252 PolarHBondContact O-N 2.95Å
249	S	90.6	Very high	89.8	Confident	19 Å²	19	44.8 Å²	44.8	13%	0.133	24%	0.244	C	C	.	.	H	α-helix	trans	-65.8	-40	176.6	-55.6	0	0	0	0	111.6	P246 M251 K252 L253	P246-S249 WeakPolarHBondContact O-CA 3.38Å; P246-S249 WeakPolarHBondContact O-CB 3.47Å; P246-S249 PolarHBondContact O-N 3.47Å; S249-M251 VanDerWaalsContact C-N 3.34Å; S249-M251 PolarHBondContact O-N 3.17Å; S249-K252 PolarHBondContact O-N 2.94Å; S249-L253 WeakPolarHBondContact O-CB 3.11Å; S249-L253 WeakPolarHBondContact O-CG 3.43Å; S249-L253 PolarHBondContact O-N 3.28Å
250	L	91.2	Very high	89.3	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-40.2	174	-67.4	178.4	0	0	0	112.3	L242 L245 P246 A247 R254 L270 A273 Q274	L242-L250 HydrophobicContact CB-CD2 4.41Å; L242-L250 HydrophobicContact CD2-CD2 4.24Å; L245-L250 HydrophobicContact CB-CD2 3.91Å; L245-L250 HydrophobicContact CB-CG 4.04Å; L245-L250 HydrophobicContact CD1-CD2 3.92Å; L245-L250 HydrophobicContact CG-CD2 4.47Å; P246-L250 PolarHBondContact O-N 3.09Å; A247-L250 PolarHBondContact O-N 3.48Å; L250-R254 PolarHBondContact O-N 3.15Å; L250-R254 VanDerWaalsContact O-N 3.09Å; L250-L270 HydrophobicContact CD2-CD2 3.92Å; L250-A273 HydrophobicContact CD1-CB 4.05Å; L250-Q274 HydrophobicContact CD1-CG 3.83Å
251	M	89.8	Confident	88.5	Confident	82 Å²	82	45 Å²	45	40%	0.404	25%	0.253	S	S	.	.	H	α-helix	trans	-65.5	-43.6	174.9	-76.4	-171.6	-86.4	0	0	111.9	A247 A248 S249 R254 E255	A247-M251 WeakPolarHBondContact O-CE 3.41Å; A247-M251 WeakPolarHBondContact O-CG 3.4Å; A247-M251 PolarHBondContact O-N 2.96Å; A248-M251 PolarHBondContact O-N 3.34Å; S249-M251 VanDerWaalsContact C-N 3.34Å; S249-M251 PolarHBondContact O-N 3.17Å; M251-R254 WeakPolarHBondContact O-CB 3.26Å; M251-R254 PolarHBondContact O-N 2.9Å; M251-E255 WeakPolarHBondContact O-CG 3.41Å; M251-E255 PolarHBondContact O-N 2.76Å; M251-E255 VanDerWaalsContact O-N 3.11Å
252	K	90.8	Very high	87.8	Confident	130 Å²	130	48.3 Å²	48.3	57%	0.565	28%	0.279	S	S	*	.	H	α-helix	trans	-59	-48	175.2	-177	-173.9	172.9	-164	0	111.4	A248 S249 R254 E255 S256	A248-K252 WeakPolarHBondContact O-CB 3.23Å; A248-K252 PolarHBondContact O-N 2.95Å; S249-K252 PolarHBondContact O-N 2.94Å; K252-R254 VanDerWaalsContact C-N 3.3Å; K252-R254 PolarHBondContact O-N 2.9Å; K252-E255 PolarHBondContact O-N 3.02Å; K252-E255 VanDerWaalsContact O-N 3.08Å; K252-S256 WeakPolarHBondContact O-CB 3.33Å; K252-S256 PolarHBondContact O-N 2.95Å; K252-S256 PolarHBondContact O-OG 2.91Å; K252-S256 VanDerWaalsContact O-OG 3.04Å
253	L	88.8	Confident	87.3	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-58.4	-41.3	177.4	-75.2	170.1	0	0	0	112.1	V215 M216 L245 S249 E255 E257 L260	V215-L253 HydrophobicContact CG1-CD1 4.36Å; V215-L253 HydrophobicContact CG1-CD2 4.4Å; M216-L253 HydrophobicContact SD-CD2 3.96Å; L245-L253 HydrophobicContact CD1-CD1 3.77Å; S249-L253 WeakPolarHBondContact O-CB 3.11Å; S249-L253 WeakPolarHBondContact O-CG 3.43Å; S249-L253 PolarHBondContact O-N 3.28Å; L253-E255 VanDerWaalsContact C-N 3.28Å; L253-E255 PolarHBondContact O-N 3.18Å; L253-E257 WeakPolarHBondContact O-CB 3.24Å; L253-E257 PolarHBondContact O-N 2.99Å; L253-E257 VanDerWaalsContact O-N 3.13Å; L253-L260 HydrophobicContact CB-CD1 4.25Å
254	R	88.6	Confident	87	Confident	107 Å²	107	51.5 Å²	51.5	40%	0.404	31%	0.307	S	S	.	.	H	α-helix	trans	-62.2	-35.9	176.1	-172.6	-175.2	65.6	-178.4	-1.9	112.6	L250 M251 K252 L267 L270	L250-R254 PolarHBondContact O-N 3.15Å; L250-R254 VanDerWaalsContact O-N 3.09Å; M251-R254 WeakPolarHBondContact O-CB 3.26Å; M251-R254 PolarHBondContact O-N 2.9Å; K252-R254 VanDerWaalsContact C-N 3.3Å; K252-R254 PolarHBondContact O-N 2.9Å; R254-L267 HydrophobicContact CG-CD2 4.17Å; R254-L270 HydrophobicContact CB-CD1 4.01Å; R254-L270 HydrophobicContact CG-CD1 4.2Å
255	E	87.9	Confident	86.8	Confident	149 Å²	149	53.8 Å²	53.8	70%	0.696	33%	0.325	S	S	*	.	H	α-helix	trans	-85	-36.1	-176.9	-71.5	173.2	-169	0	0	112.9	M251 K252 L253	M251-E255 WeakPolarHBondContact O-CG 3.41Å; M251-E255 PolarHBondContact O-N 2.76Å; M251-E255 VanDerWaalsContact O-N 3.11Å; K252-E255 PolarHBondContact O-N 3.02Å; K252-E255 VanDerWaalsContact O-N 3.08Å; L253-E255 VanDerWaalsContact C-N 3.28Å; L253-E255 PolarHBondContact O-N 3.18Å
256	S	86.3	Confident	86.5	Confident	65 Å²	65	53.8 Å²	53.8	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-81	-31.9	-177.1	62.7	0	0	0	0	113.3	K252	K252-S256 WeakPolarHBondContact O-CB 3.33Å; K252-S256 PolarHBondContact O-N 2.95Å; K252-S256 PolarHBondContact O-OG 2.91Å; K252-S256 VanDerWaalsContact O-OG 3.04Å
257	E	87	Confident	86.5	Confident	31 Å²	31	55.2 Å²	55.2	15%	0.145	33%	0.33	C	S	.	.			trans	-105.8	110.3	-172.1	-64.4	-62.5	141.5	0	0	112.1	L219 H223 L253 L259 L260 G261	L219-E257 HydrophobicContact CD1-CG 3.73Å; H223-E257 IonicContact CE1-OE2 2.63Å; L253-E257 WeakPolarHBondContact O-CB 3.24Å; L253-E257 PolarHBondContact O-N 2.99Å; L253-E257 VanDerWaalsContact O-N 3.13Å; E257-L259 PolarHBondContact O-N 2.92Å; E257-L260 HydrophobicContact CB-CB 4.13Å; E257-L260 HydrophobicContact CB-CD1 3.9Å; E257-L260 HydrophobicContact CB-CG 3.93Å; E257-L260 HydrophobicContact CG-CD1 4.25Å; E257-L260 PolarHBondContact O-N 2.9Å; E257-L260 VanDerWaalsContact O-N 3.13Å; E257-G261 PolarHBondContact O-N 2.64Å
258	P	84.4	Confident	86.6	Confident	91 Å²	91	57.1 Å²	57.1	59%	0.591	34%	0.337	S	S	*	.	H	α-helix	trans	-64.7	-28.9	-176.3	25.7	-33.7	0	0	0	112.7	S262	P258-S262 VanDerWaalsContact O-CB 3.31Å; P258-S262 WeakPolarHBondContact O-CB 3.47Å; P258-S262 PolarHBondContact O-N 3.45Å; P258-S262 VanDerWaalsContact O-N 3.11Å; P258-S262 PolarHBondContact O-OG 3.3Å
259	L	83.1	Confident	86.6	Confident	16 Å²	16	55.3 Å²	55.3	8%	0.084	32%	0.317	C	S	.	.	H	α-helix	trans	-65.6	-39.6	176.6	-63.6	173.5	0	0	0	111.8	I222 L226 Q230 L233 E257 D263	I222-L259 HydrophobicContact CG2-CD1 4.39Å; L226-L259 HydrophobicContact CD1-CD1 3.69Å; L226-L259 HydrophobicContact CD1-CD2 3.94Å; L226-L259 HydrophobicContact CD1-CG 4.43Å; Q230-L259 HydrophobicContact CG-CD2 4.47Å; L233-L259 HydrophobicContact CD2-CB 4.16Å; E257-L259 PolarHBondContact O-N 2.92Å; L259-D263 WeakPolarHBondContact O-CB 3.35Å; L259-D263 PolarHBondContact O-N 3.19Å
260	L	82.8	Confident	86.6	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-77.8	-33.2	179.6	-60.7	-178.2	0	0	0	112.1	L219 L233 M237 L253 E257 C266 L270	L219-L260 HydrophobicContact CD1-CD1 4.34Å; L233-L260 HydrophobicContact CD1-CD2 4.49Å; L233-L260 HydrophobicContact CD2-CD2 4.25Å; M237-L260 HydrophobicContact SD-CD2 4.3Å; L253-L260 HydrophobicContact CB-CD1 4.25Å; E257-L260 HydrophobicContact CB-CB 4.13Å; E257-L260 HydrophobicContact CB-CD1 3.9Å; E257-L260 HydrophobicContact CB-CG 3.93Å; E257-L260 HydrophobicContact CG-CD1 4.25Å; E257-L260 PolarHBondContact O-N 2.9Å; E257-L260 VanDerWaalsContact O-N 3.13Å; L260-C266 HydrophobicContact CD2-CB 4.07Å; L260-L270 HydrophobicContact CB-CD1 4.44Å
261	G	76.6	Confident	86.6	Confident	32 Å²	32	57.8 Å²	57.8	33%	0.33	33%	0.334	S	S	.	.	H	α-helix	trans	-79.7	-21.8	-179.2	0	0	0	0	0	115.3	E257	E257-G261 PolarHBondContact O-N 2.64Å
262	S	77.9	Confident	86.8	Confident	91 Å²	91	57.6 Å²	57.6	64%	0.636	33%	0.332	S	S	*	.	H	α-helix	trans	-103.3	-29.1	-175	60.8	0	0	0	0	114.6	P258	P258-S262 VanDerWaalsContact O-CB 3.31Å; P258-S262 WeakPolarHBondContact O-CB 3.47Å; P258-S262 PolarHBondContact O-N 3.45Å; P258-S262 VanDerWaalsContact O-N 3.11Å; P258-S262 PolarHBondContact O-OG 3.3Å
263	D	82.5	Confident	86.8	Confident	53 Å²	53	51.6 Å²	51.6	28%	0.283	31%	0.307	S	S	.	.			trans	-83.1	124.8	179.6	178.5	31.2	0	0	0	111.8	L259 S265 C266 L267	L259-D263 WeakPolarHBondContact O-CB 3.35Å; L259-D263 PolarHBondContact O-N 3.19Å; D263-S265 PolarHBondContact O-N 2.8Å; D263-S265 PolarHBondContact OD1-N 2.92Å; D263-S265 WeakPolarHBondContact OD2-CB 3.29Å; D263-C266 HydrophobicContact CB-CB 4.19Å; D263-C266 PolarHBondContact O-N 3.09Å; D263-C266 PolarHBondContact OD2-N 3.45Å; D263-C266 PolarHBondContact OD2-SG 3.28Å; D263-L267 WeakPolarHBondContact O-CG 3.29Å; D263-L267 PolarHBondContact O-N 2.89Å
264	G	84.8	Confident	87	Confident	42 Å²	42	54.5 Å²	54.5	43%	0.433	32%	0.32	S	S	.	.	H	α-helix	trans	-62.4	-31.2	179.9	0	0	0	0	0	113.4	T268	G264-T268 PolarHBondContact O-N 2.84Å; G264-T268 VanDerWaalsContact O-N 3.08Å; G264-T268 PolarHBondContact O-OG1 3.11Å
265	S	87.4	Confident	87.1	Confident	60 Å²	60	52.8 Å²	52.8	42%	0.42	33%	0.325	S	S	.	.	H	α-helix	trans	-67.8	-46.6	177.6	-44.7	0	0	0	0	110.6	D263 L267 T268 L269	D263-S265 PolarHBondContact O-N 2.8Å; D263-S265 PolarHBondContact OD1-N 2.92Å; D263-S265 WeakPolarHBondContact OD2-CB 3.29Å; S265-L267 PolarHBondContact O-N 2.76Å; S265-T268 WeakPolarHBondContact O-CB 3.25Å; S265-T268 PolarHBondContact O-N 2.72Å; S265-L269 WeakPolarHBondContact O-CG 3.16Å; S265-L269 PolarHBondContact O-N 2.77Å
266	C	86.5	Confident	87.3	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.007	31%	0.309	C	S	.	.	H	α-helix	trans	-62.7	-41.6	176.6	-65.2	0	0	0	0	112.7	L233 L260 D263 T268 L269 L270	L233-C266 VanDerWaalsContact CD2-SG 3.57Å; L260-C266 HydrophobicContact CD2-CB 4.07Å; D263-C266 HydrophobicContact CB-CB 4.19Å; D263-C266 PolarHBondContact O-N 3.09Å; D263-C266 PolarHBondContact OD2-N 3.45Å; D263-C266 PolarHBondContact OD2-SG 3.28Å; C266-T268 VanDerWaalsContact C-N 3.28Å; C266-T268 PolarHBondContact O-N 3.47Å; C266-L269 PolarHBondContact O-N 2.78Å; C266-L270 WeakPolarHBondContact O-CG 3.5Å; C266-L270 PolarHBondContact O-N 2.95Å
267	L	88.4	Confident	87.4	Confident	69 Å²	69	48.7 Å²	48.7	36%	0.361	30%	0.295	S	S	.	.	H	α-helix	trans	-60.7	-38.7	174.7	-70.8	174.9	0	0	0	112.2	R254 D263 S265 L270 S271	R254-L267 HydrophobicContact CG-CD2 4.17Å; D263-L267 WeakPolarHBondContact O-CG 3.29Å; D263-L267 PolarHBondContact O-N 2.89Å; S265-L267 PolarHBondContact O-N 2.76Å; L267-L270 PolarHBondContact O-N 2.91Å; L267-S271 WeakPolarHBondContact O-CB 3.44Å; L267-S271 PolarHBondContact O-N 3.35Å; L267-S271 PolarHBondContact O-OG 2.77Å
268	T	91.9	Very high	87.4	Confident	84 Å²	84	52.9 Å²	52.9	52%	0.515	32%	0.323	S	S	.	.	H	α-helix	trans	-63.2	-47	175.9	-55.1	0	0	0	0	110.4	G264 S265 C266 L270 S271 E272	G264-T268 PolarHBondContact O-N 2.84Å; G264-T268 VanDerWaalsContact O-N 3.08Å; G264-T268 PolarHBondContact O-OG1 3.11Å; S265-T268 WeakPolarHBondContact O-CB 3.25Å; S265-T268 PolarHBondContact O-N 2.72Å; C266-T268 VanDerWaalsContact C-N 3.28Å; C266-T268 PolarHBondContact O-N 3.47Å; T268-L270 PolarHBondContact O-N 2.89Å; T268-S271 PolarHBondContact O-N 3.11Å; T268-S271 PolarHBondContact O-OG 3.16Å; T268-E272 WeakPolarHBondContact O-CB 3.48Å; T268-E272 PolarHBondContact O-N 3.26Å
269	L	91.7	Very high	87.6	Confident	31 Å²	31	55.2 Å²	55.2	16%	0.162	33%	0.326	C	S	.	.	H	α-helix	trans	-60	-42.3	177.4	-67.8	174.5	0	0	0	112.9	M237 P238 L242 S265 C266 E272 A273	M237-L269 HydrophobicContact CB-CD1 3.93Å; M237-L269 HydrophobicContact CG-CD1 3.89Å; P238-L269 HydrophobicContact CG-CD1 4.06Å; P238-L269 HydrophobicContact CG-CD2 3.94Å; L242-L269 HydrophobicContact CD1-CB 4.42Å; S265-L269 WeakPolarHBondContact O-CG 3.16Å; S265-L269 PolarHBondContact O-N 2.77Å; C266-L269 PolarHBondContact O-N 2.78Å; L269-E272 PolarHBondContact O-N 3.46Å; L269-A273 WeakPolarHBondContact O-CB 3.49Å; L269-A273 PolarHBondContact O-N 2.87Å
270	L	91.2	Very high	87.8	Confident	9 Å²	9	57.5 Å²	57.5	5%	0.047	33%	0.334	C	S	.	.	H	α-helix	trans	-64.3	-41.6	176.2	-70	173.3	0	0	0	111.8	L242 L250 R254 L260 C266 L267 T268 E272 A273 Q274	L242-L270 HydrophobicContact CD1-CD2 4.3Å; L250-L270 HydrophobicContact CD2-CD2 3.92Å; R254-L270 HydrophobicContact CB-CD1 4.01Å; R254-L270 HydrophobicContact CG-CD1 4.2Å; L260-L270 HydrophobicContact CB-CD1 4.44Å; C266-L270 WeakPolarHBondContact O-CG 3.5Å; C266-L270 PolarHBondContact O-N 2.95Å; L267-L270 PolarHBondContact O-N 2.91Å; T268-L270 PolarHBondContact O-N 2.89Å; L270-E272 VanDerWaalsContact C-N 3.35Å; L270-A273 PolarHBondContact O-N 2.92Å; L270-Q274 WeakPolarHBondContact O-CG 3.39Å; L270-Q274 PolarHBondContact O-N 2.88Å; L270-Q274 VanDerWaalsContact O-N 3.14Å
271	S	90.7	Very high	88	Confident	63 Å²	63	61.2 Å²	61.2	44%	0.441	35%	0.354	S	S	.	.	H	α-helix	trans	-66.6	-37.1	176.4	73.8	0	0	0	0	112.3	L267 T268 Q274 S275	L267-S271 WeakPolarHBondContact O-CB 3.44Å; L267-S271 PolarHBondContact O-N 3.35Å; L267-S271 PolarHBondContact O-OG 2.77Å; T268-S271 PolarHBondContact O-N 3.11Å; T268-S271 PolarHBondContact O-OG 3.16Å; S271-Q274 PolarHBondContact O-N 2.86Å; S271-S275 PolarHBondContact O-N 3.03Å
272	E	92.8	Very high	88.4	Confident	78 Å²	78	59.8 Å²	59.8	36%	0.364	34%	0.338	S	S	.	.	H	α-helix	trans	-65.6	-43	175.2	-170.7	-176.2	163.7	0	0	111	T268 L269 L270 Q274 S275 R276	T268-E272 WeakPolarHBondContact O-CB 3.48Å; T268-E272 PolarHBondContact O-N 3.26Å; L269-E272 PolarHBondContact O-N 3.46Å; L270-E272 VanDerWaalsContact C-N 3.35Å; E272-Q274 VanDerWaalsContact C-N 3.34Å; E272-Q274 PolarHBondContact O-N 2.58Å; E272-S275 WeakPolarHBondContact O-CB 3.39Å; E272-S275 PolarHBondContact O-N 3.32Å; E272-R276 WeakPolarHBondContact O-CG 3.48Å; E272-R276 PolarHBondContact O-N 2.93Å; E272-R276 IonicContact OE1-CZ 3.71Å; E272-R276 VanDerWaalsContact OE1-CZ 3.3Å; E272-R276 IonicContact OE1-NE 3.03Å; E272-R276 PolarHBondContact OE1-NE 3.41Å; E272-R276 VanDerWaalsContact OE1-NE 3.11Å; E272-R276 IonicContact OE1-NH2 2.77Å; E272-R276 PolarHBondContact OE1-NH2 3.46Å
273	A	92.3	Very high	89	Confident	5 Å²	5	56 Å²	56	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-58.7	-44	175.8	0	0	0	0	0	112.2	L242 L250 L269 L270 R276 Q277	L242-A273 HydrophobicContact CB-CB 3.73Å; L250-A273 HydrophobicContact CD1-CB 4.05Å; L269-A273 WeakPolarHBondContact O-CB 3.49Å; L269-A273 PolarHBondContact O-N 2.87Å; L270-A273 PolarHBondContact O-N 2.92Å; A273-R276 PolarHBondContact O-N 3.23Å; A273-Q277 WeakPolarHBondContact O-CG 3.2Å; A273-Q277 PolarHBondContact O-N 3.28Å
274	Q	91.4	Very high	89.2	Confident	64 Å²	64	54.5 Å²	54.5	30%	0.299	30%	0.302	S	S	.	.	H	α-helix	trans	-64.2	-40.2	175	-70.7	177.7	-8.9	0	0	112.5	L250 L270 S271 E272 Q277 T278	L250-Q274 HydrophobicContact CD1-CG 3.83Å; L270-Q274 WeakPolarHBondContact O-CG 3.39Å; L270-Q274 PolarHBondContact O-N 2.88Å; L270-Q274 VanDerWaalsContact O-N 3.14Å; S271-Q274 PolarHBondContact O-N 2.86Å; E272-Q274 VanDerWaalsContact C-N 3.34Å; E272-Q274 PolarHBondContact O-N 2.58Å; Q274-Q277 PolarHBondContact O-N 3.17Å; Q274-T278 PolarHBondContact O-N 3.23Å; Q274-T278 PolarHBondContact O-OG1 3.16Å; Q274-T278 VanDerWaalsContact O-OG1 3.1Å
275	S	92.2	Very high	89.2	Confident	72 Å²	72	55.9 Å²	55.9	50%	0.503	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-45.1	175.4	-176.7	0	0	0	0	111.2	S271 E272 Q277 T278 Q279	S271-S275 PolarHBondContact O-N 3.03Å; E272-S275 WeakPolarHBondContact O-CB 3.39Å; E272-S275 PolarHBondContact O-N 3.32Å; S275-Q277 PolarHBondContact O-N 3.19Å; S275-T278 PolarHBondContact O-N 3.37Å; S275-Q279 WeakPolarHBondContact O-CB 3.48Å; S275-Q279 PolarHBondContact O-N 2.89Å
276	R	90.9	Very high	89.4	Confident	93 Å²	93	55.8 Å²	55.8	35%	0.351	30%	0.297	S	S	.	.	H	α-helix	trans	-60.6	-41.6	176.4	-72.4	179	-178.1	-146.1	3.2	112	H243 E272 A273 T278 Q279 Y280 F284	H243-R276 HydrophobicContact CB-CB 3.95Å; E272-R276 WeakPolarHBondContact O-CG 3.48Å; E272-R276 PolarHBondContact O-N 2.93Å; E272-R276 IonicContact OE1-CZ 3.71Å; E272-R276 VanDerWaalsContact OE1-CZ 3.3Å; E272-R276 IonicContact OE1-NE 3.03Å; E272-R276 PolarHBondContact OE1-NE 3.41Å; E272-R276 VanDerWaalsContact OE1-NE 3.11Å; E272-R276 IonicContact OE1-NH2 2.77Å; E272-R276 PolarHBondContact OE1-NH2 3.46Å; A273-R276 PolarHBondContact O-N 3.23Å; R276-T278 VanDerWaalsContact C-N 3.28Å; R276-T278 PolarHBondContact O-N 3.1Å; R276-Q279 PolarHBondContact O-N 3.08Å; R276-Y280 HydrophobicContact CB-CD2 4.28Å; R276-Y280 HydrophobicContact CG-CE2 4.45Å; R276-Y280 WeakPolarHBondContact O-CB 3.46Å; R276-Y280 VanDerWaalsContact O-CD2 3.28Å; R276-Y280 WeakPolarHBondContact O-CD2 3.33Å; R276-Y280 PolarHBondContact O-N 3.31Å; R276-F284 HydrophobicContact CB-CE1 4.38Å; R276-F284 HydrophobicContact CB-CZ 4.5Å; R276-F284 WeakPolarHBondContact O-CZ 3.27Å
277	Q	89.6	Confident	89.5	Confident	35 Å²	35	57 Å²	57	16%	0.164	31%	0.307	C	S	.	.	H	α-helix	trans	-55.9	-45.3	175	-76.8	166.8	16	0	0	112.7	H243 L245 A273 Q274 S275 N281 F284	H243-Q277 WeakPolarHBondContact O-CG 3.29Å; H243-Q277 PolarHBondContact O-NE2 3.03Å; L245-Q277 PolarHBondContact O-NE2 3.09Å; A273-Q277 WeakPolarHBondContact O-CG 3.2Å; A273-Q277 PolarHBondContact O-N 3.28Å; Q274-Q277 PolarHBondContact O-N 3.17Å; S275-Q277 PolarHBondContact O-N 3.19Å; Q277-N281 WeakPolarHBondContact O-CA 3.12Å; Q277-N281 PolarHBondContact O-N 3.24Å; Q277-F284 HydrophobicContact CG-CZ 4.4Å
278	T	87.1	Confident	89.7	Confident	118 Å²	118	53.7 Å²	53.7	72%	0.724	29%	0.289	S	S	*	.	H	α-helix	trans	-68.4	-42.6	179.9	-50.2	0	0	0	0	111	Q274 S275 R276	Q274-T278 PolarHBondContact O-N 3.23Å; Q274-T278 PolarHBondContact O-OG1 3.16Å; Q274-T278 VanDerWaalsContact O-OG1 3.1Å; S275-T278 PolarHBondContact O-N 3.37Å; R276-T278 VanDerWaalsContact C-N 3.28Å; R276-T278 PolarHBondContact O-N 3.1Å
279	Q	88.6	Confident	89.6	Confident	140 Å²	140	52.8 Å²	52.8	65%	0.654	29%	0.285	S	S	*	.	H	α-helix	trans	-66.8	-47.9	-178.6	-178.9	-177.5	2.9	0	0	112.7	S275 R276	S275-Q279 WeakPolarHBondContact O-CB 3.48Å; S275-Q279 PolarHBondContact O-N 2.89Å; R276-Q279 PolarHBondContact O-N 3.08Å
280	Y	87.1	Confident	89.6	Confident	65 Å²	65	52.6 Å²	52.6	26%	0.255	29%	0.288	S	S	.	.	H	α-helix	trans	-85.9	-30.6	-173.6	-74.2	-102.2	0	0	0	112.1	R276 G282 L283 F284 L434	R276-Y280 HydrophobicContact CB-CD2 4.28Å; R276-Y280 HydrophobicContact CG-CE2 4.45Å; R276-Y280 WeakPolarHBondContact O-CB 3.46Å; R276-Y280 VanDerWaalsContact O-CD2 3.28Å; R276-Y280 WeakPolarHBondContact O-CD2 3.33Å; R276-Y280 PolarHBondContact O-N 3.31Å; Y280-G282 VanDerWaalsContact C-N 3.31Å; Y280-G282 PolarHBondContact O-N 2.92Å; Y280-G282 VanDerWaalsContact O-N 3.16Å; Y280-L283 WeakPolarHBondContact O-CB 3.36Å; Y280-L283 VanDerWaalsContact O-CG 3.29Å; Y280-L283 WeakPolarHBondContact O-CG 3.42Å; Y280-L283 PolarHBondContact O-N 3.41Å; Y280-F284 VanDerWaalsContact CB-CE1 3.47Å; Y280-F284 HydrophobicContact CD1-CD1 4.12Å; Y280-F284 HydrophobicContact CD1-CE1 4.2Å; Y280-F284 AromaticContact CD2-CE1 3.86Å; Y280-F284 HydrophobicContact CD2-CE1 3.86Å; Y280-F284 HydrophobicContact CD2-CZ 4.46Å; Y280-F284 AromaticContact CG-CD1 3.95Å; Y280-F284 HydrophobicContact CG-CD1 3.95Å; Y280-F284 AromaticContact CG-CE1 3.58Å; Y280-F284 HydrophobicContact CG-CE1 3.58Å; Y280-F284 HydrophobicContact CG-CZ 4.19Å; Y280-L434 HydrophobicContact CD1-CD1 4.32Å; Y280-L434 HydrophobicContact CD1-CD2 3.32Å; Y280-L434 HydrophobicContact CD1-CG 4.46Å; Y280-L434 HydrophobicContact CE1-CD1 3.65Å; Y280-L434 HydrophobicContact CE1-CD2 3.52Å; Y280-L434 HydrophobicContact CE1-CG 4.22Å; Y280-L434 HydrophobicContact CG-CD2 4.3Å
281	N	86.6	Confident	89.6	Confident	81 Å²	81	52.2 Å²	52.2	43%	0.433	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.6	51.7	174.6	-173.1	23.7	0	0	0	113.2	Q277 K346	Q277-N281 WeakPolarHBondContact O-CA 3.12Å; Q277-N281 PolarHBondContact O-N 3.24Å; N281-K346 WeakPolarHBondContact O-CE 3.27Å; N281-K346 PolarHBondContact O-NZ 2.99Å
282	G	85.5	Confident	89.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.01	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	4.6	-178.3	0	0	0	0	0	116.7	Y280 F284 A344 E345 R607	Y280-G282 VanDerWaalsContact C-N 3.31Å; Y280-G282 PolarHBondContact O-N 2.92Å; Y280-G282 VanDerWaalsContact O-N 3.16Å; G282-F284 PolarHBondContact O-N 3.4Å; G282-A344 VanDerWaalsContact O-CB 3.26Å; G282-A344 WeakPolarHBondContact O-CB 3.35Å; G282-E345 VanDerWaalsContact CA-OE2 3.28Å; G282-E345 WeakPolarHBondContact CA-OE2 3.21Å; G282-E345 WeakPolarHBondContact O-CB 3.16Å; G282-E345 PolarHBondContact O-N 3.45Å; G282-E345 VanDerWaalsContact O-N 3.15Å; G282-R607 VanDerWaalsContact N-NH1 3.11Å
283	L	89.8	Confident	89.6	Confident	13 Å²	13	46.9 Å²	46.9	7%	0.068	26%	0.255	C	S	.	.			trans	-89.4	36	173.1	-62.9	172.6	0	0	0	112.3	Y280 Y343 K346 F348 P433 L434	Y280-L283 WeakPolarHBondContact O-CB 3.36Å; Y280-L283 VanDerWaalsContact O-CG 3.29Å; Y280-L283 WeakPolarHBondContact O-CG 3.42Å; Y280-L283 PolarHBondContact O-N 3.41Å; L283-Y343 HydrophobicContact CB-CE1 3.97Å; L283-Y343 HydrophobicContact CD2-CD1 3.49Å; L283-Y343 VanDerWaalsContact CD2-CD1 3.49Å; L283-Y343 HydrophobicContact CD2-CE1 3.74Å; L283-Y343 HydrophobicContact CG-CE1 4.44Å; L283-K346 HydrophobicContact CD2-CB 4.36Å; L283-K346 HydrophobicContact CD2-CD 3.73Å; L283-K346 HydrophobicContact CD2-CG 4.07Å; L283-K346 HydrophobicContact CG-CD 4.21Å; L283-F348 HydrophobicContact CD2-CZ 4.45Å; L283-P433 HydrophobicContact CD1-CB 4Å; L283-P433 WeakPolarHBondContact CD1-O 3.11Å; L283-P433 HydrophobicContact CD2-CB 3.9Å; L283-L434 HydrophobicContact CB-CD2 3.64Å; L283-L434 HydrophobicContact CD1-CD2 4.1Å
284	F	87.4	Confident	89.7	Confident	21 Å²	21	46.7 Å²	46.7	9%	0.092	25%	0.254	C	S	.	.			trans	-88.7	124.6	177.9	-64.2	-66.8	0	0	0	110.6	H243 H244 R276 Q277 Y280 G282 A344	H243-F284 HydrophobicContact CB-CE1 4.1Å; H243-F284 HydrophobicContact CB-CZ 4.11Å; H243-F284 AromaticContact CD2-CD1 3.41Å; H243-F284 VanDerWaalsContact CD2-CD1 3.41Å; H243-F284 WeakPolarHBondContact CD2-CD1 3.37Å; H243-F284 AromaticContact CD2-CE1 3.35Å; H243-F284 WeakPolarHBondContact CD2-CE1 3.44Å; H243-F284 AromaticContact CD2-CZ 3.95Å; H243-F284 AromaticContact CG-CE1 4Å; H244-F284 VanDerWaalsContact CE1-CB 3.48Å; H244-F284 WeakPolarHBondContact CE1-CB 3.45Å; R276-F284 HydrophobicContact CB-CE1 4.38Å; R276-F284 HydrophobicContact CB-CZ 4.5Å; R276-F284 WeakPolarHBondContact O-CZ 3.27Å; Q277-F284 HydrophobicContact CG-CZ 4.4Å; Y280-F284 VanDerWaalsContact CB-CE1 3.47Å; Y280-F284 HydrophobicContact CD1-CD1 4.12Å; Y280-F284 HydrophobicContact CD1-CE1 4.2Å; Y280-F284 AromaticContact CD2-CE1 3.86Å; Y280-F284 HydrophobicContact CD2-CE1 3.86Å; Y280-F284 HydrophobicContact CD2-CZ 4.46Å; Y280-F284 AromaticContact CG-CD1 3.95Å; Y280-F284 HydrophobicContact CG-CD1 3.95Å; Y280-F284 AromaticContact CG-CE1 3.58Å; Y280-F284 HydrophobicContact CG-CE1 3.58Å; Y280-F284 HydrophobicContact CG-CZ 4.19Å; G282-F284 PolarHBondContact O-N 3.4Å; F284-A344 VanDerWaalsContact O-CB 3.27Å; F284-A344 WeakPolarHBondContact O-CB 3.49Å
285	T	84.6	Confident	89.8	Confident	70 Å²	70	44.1 Å²	44.1	43%	0.429	24%	0.241	S	C	.	.			trans	-105.5	-6.7	179.5	53.9	0	0	0	0	113.3	Y343 A344 D406	T285-Y343 HydrophobicContact CG2-CE1 3.92Å; T285-Y343 HydrophobicContact CG2-CE2 4.06Å; T285-Y343 WeakPolarHBondContact CG2-OH 3.37Å; T285-A344 HydrophobicContact CG2-CB 4.29Å; T285-D406 VanDerWaalsContact CB-OD1 3.24Å; T285-D406 WeakPolarHBondContact CB-OD1 3.33Å; T285-D406 VanDerWaalsContact CG2-OD1 3.28Å; T285-D406 WeakPolarHBondContact CG2-OD1 3.33Å; T285-D406 PolarHBondContact OG1-OD1 3.19Å
286	D	90.3	Very high	90	Very high	58 Å²	58	40.7 Å²	40.7	31%	0.31	22%	0.217	S	C	.	.			trans	-96.6	25.3	179.9	73.3	-29	0	0	0	112.9	R241 H243 H244	R241-D286 WeakPolarHBondContact CD-O 3.19Å; R241-D286 PolarHBondContact NH1-O 2.88Å; H243-D286 IonicContact CD2-OD1 3.3Å; H243-D286 IonicContact CE1-OD1 2.96Å; H243-D286 IonicContact CE1-OD2 3.61Å; H243-D286 PolarHBondContact CE1-OD2 3.12Å; H243-D286 VanDerWaalsContact NE2-CG 3.29Å; H243-D286 IonicContact NE2-OD1 3.62Å; H243-D286 PolarHBondContact NE2-OD1 2.87Å; H243-D286 IonicContact NE2-OD2 2.79Å; H243-D286 PolarHBondContact NE2-OD2 2.89Å; H244-D286 IonicContact CD2-OD1 3.5Å; H244-D286 IonicContact CE1-OD1 3.76Å; H244-D286 IonicContact NE2-OD1 3.18Å; H244-D286 PolarHBondContact NE2-OD1 3.22Å
287	A	89.9	Confident	90.2	Very high	26 Å²	26	36.3 Å²	36.3	22%	0.215	20%	0.201	C	C	.	.			trans	-69.4	137.4	172.3	0	0	0	0	0	110	T292	A287-T292 HydrophobicContact CB-CG2 3.45Å; A287-T292 VanDerWaalsContact CB-CG2 3.45Å
288	R	91.9	Very high	90.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.			trans	-68.9	134.9	173.4	-69.3	-171.2	-177.5	121.1	5.8	109.6	L201 S203 L206 E211 L239 A290 T291 T292	L201-R288 PolarHBondContact O-NH2 3.46Å; S203-R288 PolarHBondContact O-NE 2.91Å; L206-R288 VanDerWaalsContact CD2-CZ 3.43Å; E211-R288 VanDerWaalsContact CD-NH1 3.28Å; E211-R288 WeakPolarHBondContact OE1-CD 3.12Å; E211-R288 WeakPolarHBondContact OE1-CG 3.48Å; E211-R288 IonicContact OE1-CZ 3.71Å; E211-R288 IonicContact OE1-NE 2.71Å; E211-R288 IonicContact OE1-NH1 3.97Å; E211-R288 PolarHBondContact OE1-NH1 3.49Å; E211-R288 IonicContact OE2-CZ 3.08Å; E211-R288 IonicContact OE2-NH1 2.64Å; E211-R288 PolarHBondContact OE2-NH1 2.63Å; E211-R288 IonicContact OE2-NH2 2.84Å; L239-R288 PolarHBondContact O-NH2 2.91Å; R288-A290 PolarHBondContact O-N 3.12Å; R288-T291 HydrophobicContact CB-CG2 4.19Å; R288-T291 PolarHBondContact O-N 3.17Å; R288-T291 PolarHBondContact O-OG1 2.92Å; R288-T292 PolarHBondContact O-N 2.83Å
289	P	90.4	Very high	90.8	Very high	65 Å²	65	29.1 Å²	29.1	42%	0.422	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-55.4	-27.8	177.4	-29.3	37.1	0	0	0	114.8	D204 T291 T292	D204-P289 VanDerWaalsContact O-CD 3.27Å; D204-P289 WeakPolarHBondContact O-CD 3.4Å; P289-T291 VanDerWaalsContact C-N 3.34Å; P289-T292 PolarHBondContact O-OG1 3.04Å; P289-T292 VanDerWaalsContact O-OG1 3.12Å
290	A	91.6	Very high	90.9	Very high	27 Å²	27	23.3 Å²	23.3	22%	0.223	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-73.9	-20.9	176.9	0	0	0	0	0	113.9	L206 R288	L206-A290 WeakPolarHBondContact O-CB 3.28Å; R288-A290 PolarHBondContact O-N 3.12Å
291	T	91.9	Very high	90.9	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.012	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-101.3	3.4	-179.2	65.2	0	0	0	0	112.9	I208 E211 R288 P289 R605	I208-T291 HydrophobicContact CG2-CG2 3.91Å; E211-T291 HydrophobicContact CG-CG2 4.45Å; R288-T291 HydrophobicContact CB-CG2 4.19Å; R288-T291 PolarHBondContact O-N 3.17Å; R288-T291 PolarHBondContact O-OG1 2.92Å; P289-T291 VanDerWaalsContact C-N 3.34Å; T291-R605 WeakPolarHBondContact O-CG 3.43Å; T291-R605 PolarHBondContact O-N 3.34Å; T291-R605 VanDerWaalsContact O-N 3.15Å
292	T	91.9	Very high	90.9	Very high	13 Å²	13	18.8 Å²	18.8	8%	0.08	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.6	-180	59.2	0	0	0	0	112.5	A287 R288 P289 F603	A287-T292 HydrophobicContact CB-CG2 3.45Å; A287-T292 VanDerWaalsContact CB-CG2 3.45Å; R288-T292 PolarHBondContact O-N 2.83Å; P289-T292 PolarHBondContact O-OG1 3.04Å; P289-T292 VanDerWaalsContact O-OG1 3.12Å; T292-F603 CarbonylContact C-O 3.59Å; T292-F603 WeakPolarHBondContact CA-O 3.16Å; T292-F603 WeakPolarHBondContact CB-O 3.33Å
293	Q	91.6	Very high	90.6	Very high	15 Å²	15	25.1 Å²	25.1	7%	0.07	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	137.2	166.2	-164.4	64	15.7	0	0	109.7	Y295 C314 E316 S602 F603 D608	Q293-Y295 HydrophobicContact CB-CE2 3.84Å; Q293-Y295 HydrophobicContact CG-CD2 4.27Å; Q293-Y295 HydrophobicContact CG-CE1 4.47Å; Q293-Y295 HydrophobicContact CG-CE2 3.37Å; Q293-Y295 VanDerWaalsContact CG-CZ 3.5Å; Q293-Y295 WeakPolarHBondContact CG-OH 3.44Å; Q293-C314 PolarHBondContact NE2-SG 2.93Å; Q293-E316 PolarHBondContact NE2-OE2 2.78Å; Q293-E316 PolarHBondContact OE1-OE1 2.83Å; Q293-E316 PolarHBondContact OE1-OE2 3.36Å; Q293-S602 CarbonylContact O-C 3.45Å; Q293-S602 WeakPolarHBondContact O-CA 3.49Å; Q293-F603 PolarHBondContact N-O 2.85Å; Q293-F603 PolarHBondContact O-N 3.29Å; Q293-D608 WeakPolarHBondContact CB-OD2 3.47Å; Q293-D608 WeakPolarHBondContact CG-OD2 3.29Å
294	S	92.9	Very high	90.1	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.014	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	141.6	-177.6	-58.8	0	0	0	0	112	M553 I601 S602	S294-M553 WeakPolarHBondContact OG-CE 3.28Å; S294-I601 WeakPolarHBondContact CA-O 3.24Å; S294-S602 WeakPolarHBondContact OG-CB 3.43Å; S294-S602 PolarHBondContact OG-OG 3.01Å
295	Y	95	Very high	89.5	Confident	10 Å²	10	29.2 Å²	29.2	4%	0.039	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	145.2	-173.5	-63.5	-91.9	0	0	0	110.8	Q293 C312 Y313 C314 I600 I601 F603 D608 W610	Q293-Y295 HydrophobicContact CB-CE2 3.84Å; Q293-Y295 HydrophobicContact CG-CD2 4.27Å; Q293-Y295 HydrophobicContact CG-CE1 4.47Å; Q293-Y295 HydrophobicContact CG-CE2 3.37Å; Q293-Y295 VanDerWaalsContact CG-CZ 3.5Å; Q293-Y295 WeakPolarHBondContact CG-OH 3.44Å; Y295-C312 HydrophobicContact CD1-CB 4.35Å; Y295-Y313 VanDerWaalsContact CA-O 3.27Å; Y295-Y313 WeakPolarHBondContact CA-O 3.34Å; Y295-C314 HydrophobicContact CD1-CB 4.02Å; Y295-C314 HydrophobicContact CE1-CB 3.74Å; Y295-I600 WeakPolarHBondContact O-CA 3.31Å; Y295-I601 PolarHBondContact N-O 3.49Å; Y295-I601 PolarHBondContact O-N 3.04Å; Y295-F603 AromaticContact CD2-CD2 3.97Å; Y295-F603 HydrophobicContact CD2-CD2 3.97Å; Y295-F603 HydrophobicContact CD2-CE2 4.17Å; Y295-F603 HydrophobicContact CE2-CD2 4.06Å; Y295-D608 WeakPolarHBondContact CE2-OD2 3.31Å; Y295-D608 PolarHBondContact OH-OD1 3.13Å; Y295-D608 PolarHBondContact OH-OD2 2.77Å; Y295-W610 AromaticContact CD1-CE3 3.82Å; Y295-W610 HydrophobicContact CD1-CE3 3.82Å; Y295-W610 HydrophobicContact CD1-CZ3 4.45Å; Y295-W610 AromaticContact CD2-CE3 3.6Å; Y295-W610 HydrophobicContact CD2-CE3 3.6Å; Y295-W610 HydrophobicContact CD2-CZ3 4.02Å; Y295-W610 HydrophobicContact CE1-CB 4.03Å; Y295-W610 HydrophobicContact CE1-CE3 4.2Å; Y295-W610 HydrophobicContact CE2-CB 4.4Å; Y295-W610 AromaticContact CE2-CE3 3.99Å; Y295-W610 HydrophobicContact CE2-CE3 3.99Å; Y295-W610 AromaticContact CG-CE3 3.5Å; Y295-W610 HydrophobicContact CG-CE3 3.5Å; Y295-W610 AromaticContact CG-CZ3 3.82Å; Y295-W610 HydrophobicContact CG-CZ3 3.82Å; Y295-W610 PolarHBondContact OH-O 2.85Å
296	I	95.8	Very high	89.2	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	119	160.8	-50	178.4	0	0	0	106.6	I298 C312 Y313 L315 V551 Y558 L560 C598 I600	I296-I298 HydrophobicContact CG2-CG1 4.43Å; I296-C312 CarbonylContact O-C 3.57Å; I296-C312 WeakPolarHBondContact O-CA 3.39Å; I296-Y313 HydrophobicContact CD1-CD1 3.74Å; I296-Y313 HydrophobicContact CD1-CE1 4.34Å; I296-Y313 HydrophobicContact CG1-CD1 4.07Å; I296-Y313 PolarHBondContact N-O 2.9Å; I296-Y313 PolarHBondContact O-N 3.41Å; I296-L315 HydrophobicContact CD1-CD2 3.93Å; I296-L315 HydrophobicContact CG1-CD2 3.77Å; I296-V551 HydrophobicContact CD1-CG2 3.75Å; I296-V551 HydrophobicContact CG1-CG2 3.92Å; I296-V551 HydrophobicContact CG2-CG2 3.96Å; I296-Y558 HydrophobicContact CD1-CD1 3.62Å; I296-Y558 HydrophobicContact CD1-CD2 3.94Å; I296-Y558 HydrophobicContact CD1-CE1 4.17Å; I296-Y558 HydrophobicContact CD1-CE2 4.44Å; I296-Y558 HydrophobicContact CD1-CG 3.53Å; I296-L560 HydrophobicContact CD1-CD2 4.23Å; I296-L560 HydrophobicContact CG2-CD2 4.25Å; I296-C598 WeakPolarHBondContact CG2-SG 3.36Å; I296-I600 HydrophobicContact CB-CD1 4.47Å; I296-I600 HydrophobicContact CG1-CD1 3.76Å
297	Y	95.4	Very high	89	Confident	1 Å²	1	34.6 Å²	34.6	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.3	174.3	179.7	-97.7	0	0	0	110.1	H299 T310 L323 I332 L340 M347 C598 Q599 W610	Y297-H299 HydrophobicContact CD1-CB 4.45Å; Y297-H299 HydrophobicContact CE1-CB 3.6Å; Y297-T310 HydrophobicContact CD2-CG2 4.46Å; Y297-T310 HydrophobicContact CE2-CG2 3.45Å; Y297-T310 VanDerWaalsContact CE2-CG2 3.45Å; Y297-T310 VanDerWaalsContact CZ-CG2 3.5Å; Y297-T310 VanDerWaalsContact OH-CG2 3.22Å; Y297-T310 WeakPolarHBondContact OH-CG2 3.45Å; Y297-L323 HydrophobicContact CD2-CD1 4.22Å; Y297-L323 HydrophobicContact CE2-CD1 3.97Å; Y297-I332 VanDerWaalsContact OH-CD1 3.24Å; Y297-I332 WeakPolarHBondContact OH-CD1 3.34Å; Y297-L340 HydrophobicContact CD1-CD1 4.49Å; Y297-L340 HydrophobicContact CD1-CD2 4.48Å; Y297-L340 HydrophobicContact CE1-CD1 3.95Å; Y297-M347 HydrophobicContact CD1-CE 3.54Å; Y297-M347 HydrophobicContact CD1-SD 3.57Å; Y297-M347 VanDerWaalsContact CD1-SD 3.57Å; Y297-M347 HydrophobicContact CD2-CE 3.55Å; Y297-M347 HydrophobicContact CD2-SD 4.3Å; Y297-M347 HydrophobicContact CE1-CE 3.93Å; Y297-M347 HydrophobicContact CE1-SD 3.44Å; Y297-M347 WeakPolarHBondContact CE1-SD 3.5Å; Y297-M347 HydrophobicContact CE2-CE 3.93Å; Y297-M347 HydrophobicContact CE2-SD 4.18Å; Y297-M347 HydrophobicContact CG-CE 3.3Å; Y297-M347 HydrophobicContact CG-SD 3.99Å; Y297-C598 WeakPolarHBondContact O-CA 3.48Å; Y297-Q599 PolarHBondContact N-O 2.9Å; Y297-Q599 PolarHBondContact O-N 3.06Å; Y297-W610 AromaticContact CD2-CH2 3.6Å; Y297-W610 HydrophobicContact CD2-CH2 3.6Å; Y297-W610 HydrophobicContact CD2-CZ2 4.06Å; Y297-W610 HydrophobicContact CE2-CH2 4.23Å; Y297-W610 HydrophobicContact CE2-CZ2 4.26Å; Y297-W610 HydrophobicContact CG-CH2 4.45Å
298	I	94.6	Very high	88.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.5	176.2	-66.9	-176.9	0	0	0	109.5	I296 T310 F311 W320 L560 M589 L593 F596 H597	I296-I298 HydrophobicContact CG2-CG1 4.43Å; I298-T310 VanDerWaalsContact O-CA 3.3Å; I298-T310 WeakPolarHBondContact O-CA 3.43Å; I298-F311 HydrophobicContact CB-CB 4.46Å; I298-F311 HydrophobicContact CB-CD2 4.39Å; I298-F311 HydrophobicContact CG2-CD2 4.08Å; I298-F311 PolarHBondContact N-O 3Å; I298-F311 PolarHBondContact O-N 3.49Å; I298-W320 HydrophobicContact CD1-CH2 3.55Å; I298-W320 HydrophobicContact CD1-CZ3 3.67Å; I298-W320 HydrophobicContact CG1-CZ3 4.36Å; I298-L560 HydrophobicContact CD1-CD2 4.1Å; I298-M589 HydrophobicContact CD1-CG 4.45Å; I298-M589 HydrophobicContact CD1-SD 3.54Å; I298-M589 VanDerWaalsContact CD1-SD 3.54Å; I298-L593 HydrophobicContact CG2-CD1 3.75Å; I298-F596 HydrophobicContact CB-CD2 4.41Å; I298-F596 HydrophobicContact CD1-CD2 4.28Å; I298-F596 HydrophobicContact CD1-CE2 3.75Å; I298-F596 HydrophobicContact CD1-CZ 4.42Å; I298-F596 HydrophobicContact CG1-CD2 4.18Å; I298-F596 HydrophobicContact CG1-CE2 4Å; I298-F596 HydrophobicContact CG2-CB 4.33Å; I298-F596 HydrophobicContact CG2-CD2 3.59Å; I298-F596 HydrophobicContact CG2-CE2 4.13Å; I298-F596 HydrophobicContact CG2-CG 4.14Å; I298-H597 VanDerWaalsContact CA-O 3.31Å; I298-H597 WeakPolarHBondContact CA-O 3.48Å
299	H	93.4	Very high	88.9	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	133.4	171	-175.5	69.2	0	0	0	111.8	Y297 H309 T310 L340 H597	Y297-H299 HydrophobicContact CD1-CB 4.45Å; Y297-H299 HydrophobicContact CE1-CB 3.6Å; H299-H309 CarbonylContact C-O 3.55Å; H299-H309 WeakPolarHBondContact CA-O 3.43Å; H299-T310 PolarHBondContact ND1-OG1 2.94Å; H299-L340 HydrophobicContact CB-CD1 4.4Å; H299-H597 PolarHBondContact N-O 2.66Å; H299-H597 WeakPolarHBondContact O-CB 3.5Å; H299-H597 PolarHBondContact O-N 3.23Å
300	K	90.6	Very high	88.9	Confident	17 Å²	17	34.9 Å²	34.9	7%	0.074	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	131	172.2	-173	-176.6	178.3	179.5	0	110.5	E302 R308 H309 L593 T594 F596	K300-E302 WeakPolarHBondContact CE-OE2 3.48Å; K300-E302 IonicContact NZ-OE1 2.77Å; K300-E302 PolarHBondContact NZ-OE1 3.37Å; K300-E302 IonicContact NZ-OE2 2.84Å; K300-E302 PolarHBondContact NZ-OE2 3.48Å; K300-R308 CarbonylContact O-C 3.55Å; K300-R308 VanDerWaalsContact O-CA 3.29Å; K300-R308 WeakPolarHBondContact O-CA 3.31Å; K300-H309 PolarHBondContact N-O 3.07Å; K300-H309 PolarHBondContact O-N 2.96Å; K300-L593 HydrophobicContact CB-CD1 4.41Å; K300-L593 HydrophobicContact CD-CD2 3.99Å; K300-T594 WeakPolarHBondContact CD-O 3.45Å; K300-T594 WeakPolarHBondContact CE-O 3.45Å; K300-T594 PolarHBondContact NZ-O 3.19Å; K300-F596 HydrophobicContact CB-CB 3.79Å; K300-F596 HydrophobicContact CD-CB 4.37Å; K300-F596 HydrophobicContact CG-CB 4.25Å
301	T	88.6	Confident	88.9	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.3	160	-57.7	0	0	0	0	109.7	R308 D334 R359	T301-R308 HydrophobicContact CG2-CG 3.99Å; T301-D334 VanDerWaalsContact CB-OD2 3.22Å; T301-D334 WeakPolarHBondContact CB-OD2 3.21Å; T301-D334 PolarHBondContact N-OD2 2.76Å; T301-D334 PolarHBondContact OG1-OD2 2.69Å; T301-R359 WeakPolarHBondContact O-CD 3.33Å; T301-R359 PolarHBondContact O-NE 3.37Å; T301-R359 PolarHBondContact O-NH1 3.15Å
302	E	85.1	Confident	89	Confident	50 Å²	50	33.6 Å²	33.6	23%	0.234	17%	0.17	C	C	.	.			trans	-68.3	165.6	177.9	-65.4	-63.9	166	0	0	111.9	K300 N304 G305 N307 H309 R359	K300-E302 WeakPolarHBondContact CE-OE2 3.48Å; K300-E302 IonicContact NZ-OE1 2.77Å; K300-E302 PolarHBondContact NZ-OE1 3.37Å; K300-E302 IonicContact NZ-OE2 2.84Å; K300-E302 PolarHBondContact NZ-OE2 3.48Å; E302-N304 PolarHBondContact O-N 3.47Å; E302-N304 VanDerWaalsContact O-N 3.12Å; E302-G305 PolarHBondContact O-N 2.82Å; E302-N307 HydrophobicContact CB-CB 4.01Å; E302-N307 HydrophobicContact CG-CB 3.8Å; E302-N307 PolarHBondContact N-O 3.29Å; E302-H309 IonicContact OE1-CD2 2.65Å; E302-H309 IonicContact OE1-NE2 3.11Å; E302-R359 PolarHBondContact O-NE 3.34Å
303	E	80.3	Confident	89.1	Confident	134 Å²	134	33.2 Å²	33.2	63%	0.626	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.6	-179.2	-68.5	-165.1	150.7	0	0	113.8	G305 R359	E303-G305 PolarHBondContact O-N 3.27Å; E303-R359 HydrophobicContact CG-CB 4.35Å
304	N	78.9	Confident	89.1	Confident	85 Å²	85	33 Å²	33	46%	0.455	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-9.9	176.7	69.1	14.3	0	0	0	113.8	E302 Q306 N307	E302-N304 PolarHBondContact O-N 3.47Å; E302-N304 VanDerWaalsContact O-N 3.12Å; N304-Q306 PolarHBondContact O-N 2.64Å; N304-Q306 VanDerWaalsContact O-N 3.07Å; N304-Q306 PolarHBondContact OD1-N 3.3Å; N304-N307 PolarHBondContact ND2-ND2 3.18Å; N304-N307 PolarHBondContact OD1-N 2.81Å
305	G	75.9	Confident	88.9	Confident	34 Å²	34	33.8 Å²	33.8	35%	0.351	17%	0.171	S	C	.	.	S	Bend	trans	68.8	-2	-179.1	0	0	0	0	0	115.1	E302 E303	E302-G305 PolarHBondContact O-N 2.82Å; E303-G305 PolarHBondContact O-N 3.27Å
306	Q	78.3	Confident	88.5	Confident	155 Å²	155	37.8 Å²	37.8	72%	0.724	19%	0.19	S	C	*	.	S	Bend	trans	-104.8	-43.4	-175.3	-67.8	-175.3	-12.9	0	0	111.8	N304	N304-Q306 PolarHBondContact O-N 2.64Å; N304-Q306 VanDerWaalsContact O-N 3.07Å; N304-Q306 PolarHBondContact OD1-N 3.3Å
307	N	84.9	Confident	88.2	Confident	87 Å²	87	41.8 Å²	41.8	47%	0.465	21%	0.214	S	C	.	.			trans	-81.6	125	179.2	-65.5	-15.1	0	0	0	108.9	E302 N304	E302-N307 HydrophobicContact CB-CB 4.01Å; E302-N307 HydrophobicContact CG-CB 3.8Å; E302-N307 PolarHBondContact N-O 3.29Å; N304-N307 PolarHBondContact ND2-ND2 3.18Å; N304-N307 PolarHBondContact OD1-N 2.81Å
308	R	87.9	Confident	87.8	Confident	74 Å²	74	44.5 Å²	44.5	28%	0.279	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128.8	-176.7	-66.6	176.3	-74.3	152.8	-0.7	108.3	K300 T301 Q324 V330	K300-R308 CarbonylContact O-C 3.55Å; K300-R308 VanDerWaalsContact O-CA 3.29Å; K300-R308 WeakPolarHBondContact O-CA 3.31Å; T301-R308 HydrophobicContact CG2-CG 3.99Å; R308-Q324 PolarHBondContact O-NE2 3.06Å; R308-V330 PolarHBondContact NH1-O 3.16Å
309	H	90.9	Very high	87.6	Confident	19 Å²	19	50 Å²	50	9%	0.088	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.3	179.2	-62.8	-67	0	0	0	108.7	H299 K300 E302 F311 L593	H299-H309 CarbonylContact C-O 3.55Å; H299-H309 WeakPolarHBondContact CA-O 3.43Å; K300-H309 PolarHBondContact N-O 3.07Å; K300-H309 PolarHBondContact O-N 2.96Å; E302-H309 IonicContact OE1-CD2 2.65Å; E302-H309 IonicContact OE1-NE2 3.11Å; H309-F311 HydrophobicContact CB-CE2 3.85Å; H309-F311 HydrophobicContact CB-CZ 3.9Å; H309-L593 HydrophobicContact CB-CD1 4.29Å; H309-L593 HydrophobicContact CB-CD2 4.3Å
310	T	92.1	Very high	87.6	Confident	4 Å²	4	51.7 Å²	51.7	3%	0.025	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	121.5	179.9	-49.2	0	0	0	0	110.1	Y297 I298 H299 L323 L327	Y297-T310 HydrophobicContact CD2-CG2 4.46Å; Y297-T310 HydrophobicContact CE2-CG2 3.45Å; Y297-T310 VanDerWaalsContact CE2-CG2 3.45Å; Y297-T310 VanDerWaalsContact CZ-CG2 3.5Å; Y297-T310 VanDerWaalsContact OH-CG2 3.22Å; Y297-T310 WeakPolarHBondContact OH-CG2 3.45Å; I298-T310 VanDerWaalsContact O-CA 3.3Å; I298-T310 WeakPolarHBondContact O-CA 3.43Å; H299-T310 PolarHBondContact ND1-OG1 2.94Å; T310-L323 HydrophobicContact CG2-CB 4.13Å; T310-L323 HydrophobicContact CG2-CD1 4.16Å; T310-L323 PolarHBondContact O-N 2.85Å; T310-L327 HydrophobicContact CG2-CD1 3.85Å
311	F	91.6	Very high	87.6	Confident	1 Å²	1	54.5 Å²	54.5	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	154.8	-177.8	-44.7	-68	0	0	0	110.1	I298 H309 W320 R321 E322 P590 R591 L593	I298-F311 HydrophobicContact CB-CB 4.46Å; I298-F311 HydrophobicContact CB-CD2 4.39Å; I298-F311 HydrophobicContact CG2-CD2 4.08Å; I298-F311 PolarHBondContact N-O 3Å; I298-F311 PolarHBondContact O-N 3.49Å; H309-F311 HydrophobicContact CB-CE2 3.85Å; H309-F311 HydrophobicContact CB-CZ 3.9Å; F311-W320 HydrophobicContact CB-CE3 3.98Å; F311-W320 HydrophobicContact CB-CZ3 4.11Å; F311-R321 CarbonylContact C-O 3.56Å; F311-R321 VanDerWaalsContact CA-O 3.31Å; F311-R321 WeakPolarHBondContact CA-O 3.17Å; F311-E322 HydrophobicContact CD1-CB 4.02Å; F311-E322 HydrophobicContact CD1-CG 3.92Å; F311-E322 HydrophobicContact CE1-CB 4.25Å; F311-E322 HydrophobicContact CE1-CG 3.77Å; F311-P590 HydrophobicContact CD1-CB 4.18Å; F311-P590 HydrophobicContact CD1-CG 3.88Å; F311-P590 HydrophobicContact CE1-CB 3.96Å; F311-P590 HydrophobicContact CE1-CG 4.19Å; F311-P590 HydrophobicContact CG-CG 4.22Å; F311-P590 HydrophobicContact CZ-CB 4.34Å; F311-R591 HydrophobicContact CZ-CB 4.31Å; F311-L593 HydrophobicContact CD2-CD1 4.23Å; F311-L593 HydrophobicContact CE2-CD1 3.74Å; F311-L593 HydrophobicContact CE2-CG 4.49Å
312	C	93.9	Very high	87.6	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.007	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.8	160.2	68.7	0	0	0	0	110.8	Y295 I296 W320 R321 L323 W610	Y295-C312 HydrophobicContact CD1-CB 4.35Å; I296-C312 CarbonylContact O-C 3.57Å; I296-C312 WeakPolarHBondContact O-CA 3.39Å; C312-W320 CarbonylContact O-C 3.58Å; C312-W320 WeakPolarHBondContact O-CA 3.5Å; C312-R321 PolarHBondContact N-O 3.24Å; C312-R321 PolarHBondContact O-N 3.38Å; C312-L323 HydrophobicContact CB-CD1 4.04Å; C312-W610 HydrophobicContact CB-CD2 4.24Å; C312-W610 HydrophobicContact CB-CE3 3.78Å; C312-W610 HydrophobicContact CB-CH2 4.23Å; C312-W610 HydrophobicContact CB-CZ3 3.75Å
313	Y	93.9	Very high	87.6	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.8	174.5	173.5	-102.2	0	0	0	109.3	Y295 I296 L315 D318 Q319 W320 Y558	Y295-Y313 VanDerWaalsContact CA-O 3.27Å; Y295-Y313 WeakPolarHBondContact CA-O 3.34Å; I296-Y313 HydrophobicContact CD1-CD1 3.74Å; I296-Y313 HydrophobicContact CD1-CE1 4.34Å; I296-Y313 HydrophobicContact CG1-CD1 4.07Å; I296-Y313 PolarHBondContact N-O 2.9Å; I296-Y313 PolarHBondContact O-N 3.41Å; Y313-L315 HydrophobicContact CD1-CD2 4.02Å; Y313-L315 HydrophobicContact CE1-CD2 3.98Å; Y313-L315 PolarHBondContact O-N 3.23Å; Y313-D318 VanDerWaalsContact CE2-OD1 3.29Å; Y313-D318 WeakPolarHBondContact CE2-OD1 3.3Å; Y313-D318 WeakPolarHBondContact OH-CA 3.44Å; Y313-D318 PolarHBondContact OH-OD1 2.81Å; Y313-Q319 WeakPolarHBondContact CA-O 3.47Å; Y313-W320 AromaticContact CD2-CD1 3.79Å; Y313-W320 AromaticContact CD2-CD2 3.79Å; Y313-W320 HydrophobicContact CD2-CD2 3.79Å; Y313-W320 AromaticContact CD2-CE2 3.49Å; Y313-W320 VanDerWaalsContact CD2-CE2 3.49Å; Y313-W320 AromaticContact CD2-CG 3.95Å; Y313-W320 HydrophobicContact CD2-CG 3.95Å; Y313-W320 AromaticContact CD2-CZ2 3.95Å; Y313-W320 HydrophobicContact CD2-CZ2 3.95Å; Y313-W320 AromaticContact CD2-NE1 3.5Å; Y313-W320 AromaticContact CE2-NE1 3.92Å; Y313-W320 HydrophobicContact CG-CD2 4.24Å; Y313-W320 AromaticContact CG-CE2 3.98Å; Y313-W320 HydrophobicContact CG-CH2 4.33Å; Y313-W320 HydrophobicContact CG-CZ2 4.01Å; Y313-Y558 HydrophobicContact CE1-CD1 4.44Å; Y313-Y558 AromaticContact CE1-CE1 3.84Å; Y313-Y558 HydrophobicContact CE1-CE1 3.84Å
314	C	92.1	Very high	87.2	Confident	12 Å²	12	54 Å²	54	8%	0.081	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	116.2	178	-176.9	0	0	0	0	109.8	Q293 Y295 E316 T317 D318 Q319	Q293-C314 PolarHBondContact NE2-SG 2.93Å; Y295-C314 HydrophobicContact CD1-CB 4.02Å; Y295-C314 HydrophobicContact CE1-CB 3.74Å; C314-E316 PolarHBondContact O-N 2.92Å; C314-T317 VanDerWaalsContact CB-OG1 3.23Å; C314-T317 WeakPolarHBondContact CB-OG1 3.49Å; C314-T317 PolarHBondContact SG-OG1 2.89Å; C314-D318 PolarHBondContact O-N 3.41Å; C314-Q319 PolarHBondContact N-O 2.66Å
315	L	88.4	Confident	86.2	Confident	17 Å²	17	56 Å²	56	9%	0.089	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.1	-177.1	-64.5	174.8	0	0	0	113.6	I296 Y313 M553 Y558	I296-L315 HydrophobicContact CD1-CD2 3.93Å; I296-L315 HydrophobicContact CG1-CD2 3.77Å; Y313-L315 HydrophobicContact CD1-CD2 4.02Å; Y313-L315 HydrophobicContact CE1-CD2 3.98Å; Y313-L315 PolarHBondContact O-N 3.23Å; L315-M553 HydrophobicContact CD1-CB 4.15Å; L315-M553 HydrophobicContact CD1-CG 3.74Å; L315-Y558 HydrophobicContact CD2-CD2 4.47Å; L315-Y558 HydrophobicContact CD2-CE1 4.08Å; L315-Y558 HydrophobicContact CD2-CE2 3.68Å; L315-Y558 VanDerWaalsContact CD2-CZ 3.48Å; L315-Y558 WeakPolarHBondContact CD2-OH 3.46Å
316	E	86.4	Confident	85.4	Confident	94 Å²	94	58.3 Å²	58.3	44%	0.439	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-35.8	-176.9	-62.6	-173.8	171	0	0	113	Q293 C314	Q293-E316 PolarHBondContact NE2-OE2 2.78Å; Q293-E316 PolarHBondContact OE1-OE1 2.83Å; Q293-E316 PolarHBondContact OE1-OE2 3.36Å; C314-E316 PolarHBondContact O-N 2.92Å
317	T	88.3	Confident	84.7	Confident	85 Å²	85	51.8 Å²	51.8	52%	0.521	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-10.2	-178.9	60.8	0	0	0	0	113.5	C314 Q319	C314-T317 VanDerWaalsContact CB-OG1 3.23Å; C314-T317 WeakPolarHBondContact CB-OG1 3.49Å; C314-T317 PolarHBondContact SG-OG1 2.89Å; T317-Q319 VanDerWaalsContact C-N 3.31Å; T317-Q319 WeakPolarHBondContact O-CG 3.45Å; T317-Q319 PolarHBondContact O-N 2.75Å
318	D	87.8	Confident	83.8	Confident	58 Å²	58	50.2 Å²	50.2	31%	0.31	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	50.1	-173.9	-175.6	1.5	0	0	0	110.6	Y313 C314 T587	Y313-D318 VanDerWaalsContact CE2-OD1 3.29Å; Y313-D318 WeakPolarHBondContact CE2-OD1 3.3Å; Y313-D318 WeakPolarHBondContact OH-CA 3.44Å; Y313-D318 PolarHBondContact OH-OD1 2.81Å; C314-D318 PolarHBondContact O-N 3.41Å; D318-T587 PolarHBondContact O-OG1 2.91Å; D318-T587 VanDerWaalsContact OD1-CB 3.31Å; D318-T587 WeakPolarHBondContact OD1-CB 3.46Å; D318-T587 PolarHBondContact OD1-OG1 2.99Å
319	Q	90.6	Very high	82.6	Confident	115 Å²	115	55.9 Å²	55.9	54%	0.537	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	137.4	-178.5	-65.6	-62.3	-62.9	0	0	111.2	Y313 C314 T317	Y313-Q319 WeakPolarHBondContact CA-O 3.47Å; C314-Q319 PolarHBondContact N-O 2.66Å; T317-Q319 VanDerWaalsContact C-N 3.31Å; T317-Q319 WeakPolarHBondContact O-CG 3.45Å; T317-Q319 PolarHBondContact O-N 2.75Å
320	W	93	Very high	81.9	Confident	38 Å²	38	56.6 Å²	56.6	14%	0.144	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	144	170.8	-70.7	96.3	0	0	0	111.4	I298 F311 C312 Y313 L560 V573 T587 P588 M589 P590	I298-W320 HydrophobicContact CD1-CH2 3.55Å; I298-W320 HydrophobicContact CD1-CZ3 3.67Å; I298-W320 HydrophobicContact CG1-CZ3 4.36Å; F311-W320 HydrophobicContact CB-CE3 3.98Å; F311-W320 HydrophobicContact CB-CZ3 4.11Å; C312-W320 CarbonylContact O-C 3.58Å; C312-W320 WeakPolarHBondContact O-CA 3.5Å; Y313-W320 AromaticContact CD2-CD1 3.79Å; Y313-W320 AromaticContact CD2-CD2 3.79Å; Y313-W320 HydrophobicContact CD2-CD2 3.79Å; Y313-W320 AromaticContact CD2-CE2 3.49Å; Y313-W320 VanDerWaalsContact CD2-CE2 3.49Å; Y313-W320 AromaticContact CD2-CG 3.95Å; Y313-W320 HydrophobicContact CD2-CG 3.95Å; Y313-W320 AromaticContact CD2-CZ2 3.95Å; Y313-W320 HydrophobicContact CD2-CZ2 3.95Å; Y313-W320 AromaticContact CD2-NE1 3.5Å; Y313-W320 AromaticContact CE2-NE1 3.92Å; Y313-W320 HydrophobicContact CG-CD2 4.24Å; Y313-W320 AromaticContact CG-CE2 3.98Å; Y313-W320 HydrophobicContact CG-CH2 4.33Å; Y313-W320 HydrophobicContact CG-CZ2 4.01Å; W320-L560 HydrophobicContact CH2-CD2 3.69Å; W320-L560 HydrophobicContact CZ2-CD2 3.99Å; W320-V573 HydrophobicContact CZ2-CG2 3.94Å; W320-T587 PolarHBondContact NE1-O 2.78Å; W320-P588 PolarHBondContact NE1-O 3.29Å; W320-M589 HydrophobicContact CH2-CG 3.76Å; W320-M589 HydrophobicContact CH2-SD 4.42Å; W320-M589 HydrophobicContact CZ2-CB 4.34Å; W320-M589 HydrophobicContact CZ2-CG 3.65Å; W320-M589 HydrophobicContact CZ3-CG 4.47Å; W320-P590 HydrophobicContact CB-CG 3.74Å; W320-P590 HydrophobicContact CD2-CG 4.31Å; W320-P590 HydrophobicContact CE3-CG 4.33Å; W320-P590 HydrophobicContact CG-CG 4.07Å
321	R	90.9	Very high	81.4	Confident	76 Å²	76	62.7 Å²	62.7	29%	0.287	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.4	172.2	-174	179.2	-67.6	-168	2.2	109.7	F311 C312 L323 W610 D612	F311-R321 CarbonylContact C-O 3.56Å; F311-R321 VanDerWaalsContact CA-O 3.31Å; F311-R321 WeakPolarHBondContact CA-O 3.17Å; C312-R321 PolarHBondContact N-O 3.24Å; C312-R321 PolarHBondContact O-N 3.38Å; R321-L323 HydrophobicContact CG-CD2 4.17Å; R321-W610 PolarHBondContact NH1-O 2.61Å; R321-W610 PolarHBondContact NH2-O 2.92Å; R321-D612 IonicContact NH2-OD1 3.66Å; R321-D612 PolarHBondContact NH2-OD1 3.44Å
322	E	89	Confident	81.2	Confident	92 Å²	92	62.7 Å²	62.7	43%	0.43	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	123.2	174.9	-174.7	165.8	-153.3	0	0	110.2	F311 Q324	F311-E322 HydrophobicContact CD1-CB 4.02Å; F311-E322 HydrophobicContact CD1-CG 3.92Å; F311-E322 HydrophobicContact CE1-CB 4.25Å; F311-E322 HydrophobicContact CE1-CG 3.77Å; E322-Q324 HydrophobicContact CG-CB 4.37Å; E322-Q324 HydrophobicContact CG-CG 4.45Å
323	L	85.3	Confident	80.9	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.021	32%	0.321	C	S	.	.			trans	-96.4	-4.5	-170.6	-60.2	179.9	0	0	0	113.1	Y297 T310 C312 R321 T325 E326 L327 W610	Y297-L323 HydrophobicContact CD2-CD1 4.22Å; Y297-L323 HydrophobicContact CE2-CD1 3.97Å; T310-L323 HydrophobicContact CG2-CB 4.13Å; T310-L323 HydrophobicContact CG2-CD1 4.16Å; T310-L323 PolarHBondContact O-N 2.85Å; C312-L323 HydrophobicContact CB-CD1 4.04Å; R321-L323 HydrophobicContact CG-CD2 4.17Å; L323-T325 VanDerWaalsContact C-N 3.3Å; L323-T325 PolarHBondContact O-N 2.64Å; L323-E326 WeakPolarHBondContact CD2-OE2 3.3Å; L323-E326 PolarHBondContact O-N 3.13Å; L323-E326 VanDerWaalsContact O-N 3.17Å; L323-L327 HydrophobicContact CB-CD1 3.96Å; L323-L327 HydrophobicContact CB-CG 4.36Å; L323-L327 WeakPolarHBondContact O-CB 3.37Å; L323-L327 WeakPolarHBondContact O-CD1 3.48Å; L323-L327 VanDerWaalsContact O-CG 3.22Å; L323-L327 WeakPolarHBondContact O-CG 3.21Å; L323-L327 PolarHBondContact O-N 2.92Å; L323-W610 HydrophobicContact CD1-CD2 4.44Å; L323-W610 HydrophobicContact CD1-CH2 4.29Å; L323-W610 HydrophobicContact CD1-CZ2 3.54Å; L323-W610 HydrophobicContact CD2-CG 4.35Å
324	Q	71.6	Confident	80.7	Confident	78 Å²	78	63.4 Å²	63.4	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-57.6	-40.2	-178	-76.8	179.3	6	0	0	113.2	R308 E322 E326 G328	R308-Q324 PolarHBondContact O-NE2 3.06Å; E322-Q324 HydrophobicContact CG-CB 4.37Å; E322-Q324 HydrophobicContact CG-CG 4.45Å; Q324-E326 VanDerWaalsContact C-N 3.33Å; Q324-G328 PolarHBondContact O-N 2.83Å
325	T	58	Low	80.6	Confident	127 Å²	127	64.2 Å²	64.2	78%	0.779	33%	0.328	S	S	*	.	H	α-helix	trans	-70.1	-30.2	179.9	42.3	0	0	0	0	112.9	L323	L323-T325 VanDerWaalsContact C-N 3.3Å; L323-T325 PolarHBondContact O-N 2.64Å
326	E	59.4	Low	80.5	Confident	84 Å²	84	64.3 Å²	64.3	39%	0.393	33%	0.33	S	S	.	.	H	α-helix	trans	-85.1	-35.3	-179.6	-64.2	178.4	179	0	0	111.9	L323 Q324 G328	L323-E326 WeakPolarHBondContact CD2-OE2 3.3Å; L323-E326 PolarHBondContact O-N 3.13Å; L323-E326 VanDerWaalsContact O-N 3.17Å; Q324-E326 VanDerWaalsContact C-N 3.33Å; E326-G328 PolarHBondContact O-N 2.9Å
327	L	63.2	Low	80.5	Confident	18 Å²	18	60.8 Å²	60.8	9%	0.094	32%	0.319	C	S	.	.	H	α-helix	trans	-66.4	-25	175.3	-72.6	162.9	0	0	0	112.5	T310 L323 E329 V330 I332 F379 L384	T310-L327 HydrophobicContact CG2-CD1 3.85Å; L323-L327 HydrophobicContact CB-CD1 3.96Å; L323-L327 HydrophobicContact CB-CG 4.36Å; L323-L327 WeakPolarHBondContact O-CB 3.37Å; L323-L327 WeakPolarHBondContact O-CD1 3.48Å; L323-L327 VanDerWaalsContact O-CG 3.22Å; L323-L327 WeakPolarHBondContact O-CG 3.21Å; L323-L327 PolarHBondContact O-N 2.92Å; L327-E329 PolarHBondContact O-N 3.31Å; L327-E329 VanDerWaalsContact O-N 3.15Å; L327-V330 HydrophobicContact CD2-CB 4.43Å; L327-V330 VanDerWaalsContact O-CB 3.24Å; L327-V330 WeakPolarHBondContact O-CB 3.26Å; L327-V330 WeakPolarHBondContact O-CG2 3.33Å; L327-V330 PolarHBondContact O-N 2.6Å; L327-I332 HydrophobicContact CD2-CD1 4.43Å; L327-F379 HydrophobicContact CD2-CE2 4.22Å; L327-F379 HydrophobicContact CD2-CZ 3.68Å; L327-L384 HydrophobicContact CD2-CD2 4.11Å
328	G	65.8	Low	80.8	Confident	53 Å²	53	57.2 Å²	57.2	55%	0.546	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	-118.8	180	0	0	0	0	0	112.3	Q324 E326	Q324-G328 PolarHBondContact O-N 2.83Å; E326-G328 PolarHBondContact O-N 2.9Å
329	E	62.7	Low	81.1	Confident	193 Å²	193	56.4 Å²	56.4	90%	0.902	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.3	177.8	-65.2	-170.5	165.5	0	0	114.3	L327 Y331	L327-E329 PolarHBondContact O-N 3.31Å; L327-E329 VanDerWaalsContact O-N 3.15Å; E329-Y331 PolarHBondContact O-N 3.46Å; E329-Y331 VanDerWaalsContact O-N 3.11Å
330	V	75.2	Confident	81.3	Confident	34 Å²	34	51 Å²	51	21%	0.206	27%	0.265	C	S	.	.			trans	-62	119.9	-175.8	178.7	0	0	0	0	110.1	R308 L327 F379 L384	R308-V330 PolarHBondContact NH1-O 3.16Å; L327-V330 HydrophobicContact CD2-CB 4.43Å; L327-V330 VanDerWaalsContact O-CB 3.24Å; L327-V330 WeakPolarHBondContact O-CB 3.26Å; L327-V330 WeakPolarHBondContact O-CG2 3.33Å; L327-V330 PolarHBondContact O-N 2.6Å; V330-F379 HydrophobicContact CG1-CE2 4.04Å; V330-L384 HydrophobicContact CG2-CB 4.35Å; V330-L384 WeakPolarHBondContact CG2-O 3.41Å
331	Y	82.1	Confident	81.5	Confident	133 Å²	133	49.4 Å²	49.4	52%	0.522	26%	0.259	S	S	.	.			trans	-95.5	114.4	177.8	-179.8	-102.6	0	0	0	109.7	E329 P333	E329-Y331 PolarHBondContact O-N 3.46Å; E329-Y331 VanDerWaalsContact O-N 3.11Å; Y331-P333 HydrophobicContact CD1-CG 4.1Å; Y331-P333 HydrophobicContact CE1-CB 4.11Å; Y331-P333 HydrophobicContact CE1-CG 3.9Å; Y331-P333 WeakPolarHBondContact O-CD 3.45Å
332	I	87.1	Confident	81.7	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.252	C	S	.	.			trans	-93.5	115.6	169.7	-57.5	176.4	0	0	0	106.6	Y297 L327 D334 I349 F379	Y297-I332 VanDerWaalsContact OH-CD1 3.24Å; Y297-I332 WeakPolarHBondContact OH-CD1 3.34Å; L327-I332 HydrophobicContact CD2-CD1 4.43Å; I332-D334 PolarHBondContact O-N 2.82Å; I332-I349 HydrophobicContact CG2-CD1 3.86Å; I332-I349 HydrophobicContact CG2-CG1 4.35Å; I332-F379 HydrophobicContact CD1-CD1 3.91Å; I332-F379 HydrophobicContact CD1-CD2 4.36Å; I332-F379 HydrophobicContact CD1-CE1 3.8Å; I332-F379 HydrophobicContact CD1-CE2 4.28Å; I332-F379 HydrophobicContact CD1-CG 4.2Å; I332-F379 HydrophobicContact CD1-CZ 4.01Å; I332-F379 HydrophobicContact CG1-CD2 4.24Å; I332-F379 HydrophobicContact CG1-CE2 4.4Å; I332-F379 HydrophobicContact CG1-CG 4.31Å
333	P	88.5	Confident	81.9	Confident	9 Å²	9	42.6 Å²	42.6	6%	0.058	23%	0.232	C	C	.	.			trans	-66.5	127	175	-20.7	35.3	0	0	0	109.3	Y331 I349 W377 C386	Y331-P333 HydrophobicContact CD1-CG 4.1Å; Y331-P333 HydrophobicContact CE1-CB 4.11Å; Y331-P333 HydrophobicContact CE1-CG 3.9Å; Y331-P333 WeakPolarHBondContact O-CD 3.45Å; P333-I349 WeakPolarHBondContact O-CG2 3.39Å; P333-W377 HydrophobicContact CB-CD2 4.35Å; P333-W377 HydrophobicContact CB-CG 4.11Å; P333-W377 HydrophobicContact CG-CB 4.27Å; P333-W377 HydrophobicContact CG-CD2 3.55Å; P333-W377 HydrophobicContact CG-CE3 3.94Å; P333-W377 HydrophobicContact CG-CG 3.67Å; P333-W377 HydrophobicContact CG-CZ2 4.34Å; P333-W377 HydrophobicContact CG-CZ3 4.46Å; P333-C386 WeakPolarHBondContact CD-SG 3.25Å
334	D	89.4	Confident	82.3	Confident	10 Å²	10	43.7 Å²	43.7	5%	0.053	24%	0.242	C	C	.	.			trans	-138.9	72.4	174.2	167.4	27.5	0	0	0	106.9	T301 I332 S338 R359 H597	T301-D334 VanDerWaalsContact CB-OD2 3.22Å; T301-D334 WeakPolarHBondContact CB-OD2 3.21Å; T301-D334 PolarHBondContact N-OD2 2.76Å; T301-D334 PolarHBondContact OG1-OD2 2.69Å; I332-D334 PolarHBondContact O-N 2.82Å; D334-S338 PolarHBondContact OD1-OG 2.69Å; D334-R359 PolarHBondContact O-NH1 3.48Å; D334-R359 PolarHBondContact O-NH2 2.92Å; D334-R359 IonicContact OD1-NH1 3.84Å; D334-R359 IonicContact OD2-NH1 2.7Å; D334-R359 PolarHBondContact OD2-NH1 3.35Å; D334-H597 IonicContact OD1-CD2 2.9Å; D334-H597 IonicContact OD1-CE1 3.85Å; D334-H597 IonicContact OD1-NE2 3.86Å; D334-H597 PolarHBondContact OD1-NE2 2.63Å
335	P	89.6	Confident	83.3	Confident	29 Å²	29	40.5 Å²	40.5	19%	0.188	23%	0.227	C	C	.	.			trans	-69.8	156.2	176.5	23.9	-26.2	0	0	0	111.3	G337 S338 G351 I373	P335-G337 PolarHBondContact O-N 3.41Å; P335-S338 WeakPolarHBondContact O-CB 3.21Å; P335-S338 PolarHBondContact O-N 2.91Å; P335-S338 PolarHBondContact O-OG 2.78Å; P335-G351 WeakPolarHBondContact CG-O 3.5Å; P335-I373 HydrophobicContact CG-CD1 4.02Å
336	P	87.6	Confident	85	Confident	19 Å²	19	35.3 Å²	35.3	12%	0.123	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	132.4	177.7	-23.9	31.4	0	0	0	112.5	S338 G352 C353 C357 R359 T397	P336-S338 PolarHBondContact O-N 3.04Å; P336-G352 CarbonylContact O-C 3.53Å; P336-G352 VanDerWaalsContact O-CA 3.3Å; P336-G352 WeakPolarHBondContact O-CA 3.49Å; P336-C353 PolarHBondContact O-N 3.22Å; P336-C357 HydrophobicContact CB-CB 4.03Å; P336-C357 VanDerWaalsContact CB-O 3.32Å; P336-C357 WeakPolarHBondContact CB-O 3.31Å; P336-C357 VanDerWaalsContact CG-O 3.24Å; P336-C357 WeakPolarHBondContact CG-O 3.19Å; P336-R359 HydrophobicContact CB-CG 3.98Å; P336-R359 HydrophobicContact CG-CG 3.77Å; P336-T397 PolarHBondContact O-OG1 2.86Å
337	G	86.6	Confident	86.7	Confident	21 Å²	21	31.3 Å²	31.3	22%	0.216	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	15.9	-178.1	0	0	0	0	0	114.8	P335 T397 M398	P335-G337 PolarHBondContact O-N 3.41Å; G337-T397 CarbonylContact O-C 3.59Å; G337-T397 WeakPolarHBondContact O-CA 3.31Å; G337-T397 PolarHBondContact O-OG1 2.84Å; G337-M398 PolarHBondContact O-N 2.82Å
338	S	93.1	Very high	88.3	Confident	10 Å²	10	30.7 Å²	30.7	7%	0.07	17%	0.171	C	C	.	.			trans	-70.9	169	163.6	68	0	0	0	0	110.7	D334 P335 P336 T350 G351 H597	D334-S338 PolarHBondContact OD1-OG 2.69Å; P335-S338 WeakPolarHBondContact O-CB 3.21Å; P335-S338 PolarHBondContact O-N 2.91Å; P335-S338 PolarHBondContact O-OG 2.78Å; P336-S338 PolarHBondContact O-N 3.04Å; S338-T350 WeakPolarHBondContact CA-O 3.27Å; S338-G351 WeakPolarHBondContact CB-O 3.47Å; S338-H597 PolarHBondContact O-CE1 2.84Å
339	Y	94.1	Very high	89.8	Confident	41 Å²	41	28.3 Å²	28.3	16%	0.161	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.8	175	-161.3	-83.2	0	0	0	110.9	I349 T350 H399 T400 A401	Y339-I349 WeakPolarHBondContact O-CA 3.37Å; Y339-T350 PolarHBondContact N-O 3.04Å; Y339-T350 PolarHBondContact O-N 2.99Å; Y339-T350 PolarHBondContact O-OG1 2.8Å; Y339-H399 VanDerWaalsContact CD2-O 3.29Å; Y339-H399 WeakPolarHBondContact CD2-O 3.16Å; Y339-T400 PolarHBondContact OH-OG1 2.86Å; Y339-A401 HydrophobicContact CD1-CB 3.6Å; Y339-A401 VanDerWaalsContact CD1-N 3.3Å; Y339-A401 HydrophobicContact CE1-CB 4.1Å; Y339-A401 WeakPolarHBondContact CE1-O 3.09Å; Y339-A401 HydrophobicContact CG-CB 4.31Å
340	L	95.8	Very high	91.5	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126	174.2	-171.1	157.5	0	0	0	110.1	Y297 H299 M347 F348 I349 H597 Q599	Y297-L340 HydrophobicContact CD1-CD1 4.49Å; Y297-L340 HydrophobicContact CD1-CD2 4.48Å; Y297-L340 HydrophobicContact CE1-CD1 3.95Å; H299-L340 HydrophobicContact CB-CD1 4.4Å; L340-M347 HydrophobicContact CD2-CB 4.37Å; L340-M347 HydrophobicContact CD2-CG 4.26Å; L340-M347 HydrophobicContact CD2-SD 4.29Å; L340-F348 WeakPolarHBondContact CA-O 3.46Å; L340-I349 HydrophobicContact CB-CG1 4.46Å; L340-I349 HydrophobicContact CD1-CG1 4.22Å; L340-I349 HydrophobicContact CG-CG1 4.27Å; L340-H597 HydrophobicContact CB-CB 3.81Å; L340-H597 HydrophobicContact CD1-CB 4.2Å; L340-H597 HydrophobicContact CG-CB 4.45Å; L340-H597 PolarHBondContact N-ND1 3.11Å; L340-Q599 HydrophobicContact CD2-CB 4.08Å; L340-Q599 HydrophobicContact CD2-CG 3.58Å; L340-Q599 VanDerWaalsContact O-CG 3.26Å; L340-Q599 WeakPolarHBondContact O-CG 3.33Å; L340-Q599 PolarHBondContact O-NE2 2.92Å
341	T	96.1	Very high	92.4	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.018	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	156.3	175	-172.8	0	0	0	0	110.6	M347 F348 A401 V408	T341-M347 CarbonylContact O-C 3.51Å; T341-M347 WeakPolarHBondContact O-CA 3.43Å; T341-F348 HydrophobicContact CG2-CB 4.12Å; T341-F348 PolarHBondContact N-O 2.74Å; T341-F348 PolarHBondContact O-N 2.85Å; T341-A401 HydrophobicContact CG2-CB 3.9Å; T341-V408 HydrophobicContact CG2-CG1 3.47Å; T341-V408 VanDerWaalsContact CG2-CG1 3.47Å; T341-V408 HydrophobicContact CG2-CG2 4.42Å
342	T	95.4	Very high	92.9	Very high	21 Å²	21	11.3 Å²	11.3	13%	0.129	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	148.1	179.7	51.9	0	0	0	0	111.5	K346 M347 T403 Q599 I600 I601	T342-K346 WeakPolarHBondContact CA-O 3.41Å; T342-M347 HydrophobicContact CG2-CG 3.83Å; T342-T403 PolarHBondContact O-OG1 3.17Å; T342-Q599 HydrophobicContact CG2-CB 3.7Å; T342-Q599 HydrophobicContact CG2-CG 4.4Å; T342-I600 WeakPolarHBondContact CB-O 3.17Å; T342-I600 WeakPolarHBondContact CG2-O 3.21Å; T342-I600 PolarHBondContact OG1-O 3.12Å; T342-I601 HydrophobicContact CG2-CB 3.95Å; T342-I601 HydrophobicContact CG2-CD1 4.43Å; T342-I601 HydrophobicContact CG2-CG1 4.39Å
343	Y	94.6	Very high	93	Very high	4 Å²	4	11.4 Å²	11.4	2%	0.016	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	119.6	169	175.7	-77.7	0	0	0	108.1	L283 T285 E345 K346 T403 D406 V408 P433	L283-Y343 HydrophobicContact CB-CE1 3.97Å; L283-Y343 HydrophobicContact CD2-CD1 3.49Å; L283-Y343 VanDerWaalsContact CD2-CD1 3.49Å; L283-Y343 HydrophobicContact CD2-CE1 3.74Å; L283-Y343 HydrophobicContact CG-CE1 4.44Å; T285-Y343 HydrophobicContact CG2-CE1 3.92Å; T285-Y343 HydrophobicContact CG2-CE2 4.06Å; T285-Y343 WeakPolarHBondContact CG2-OH 3.37Å; Y343-E345 PolarHBondContact O-N 3.17Å; Y343-K346 PolarHBondContact N-O 2.68Å; Y343-K346 PolarHBondContact O-N 2.99Å; Y343-T403 HydrophobicContact CD2-CG2 3.73Å; Y343-T403 HydrophobicContact CE2-CG2 4.43Å; Y343-D406 VanDerWaalsContact CE2-C 3.44Å; Y343-D406 HydrophobicContact CE2-CB 4.21Å; Y343-D406 WeakPolarHBondContact CE2-O 3.26Å; Y343-V408 HydrophobicContact CD2-CG2 4.36Å; Y343-P433 HydrophobicContact CD1-CB 4.08Å; Y343-P433 HydrophobicContact CD1-CG 3.86Å; Y343-P433 HydrophobicContact CD2-CG 3.88Å; Y343-P433 HydrophobicContact CE1-CB 4.1Å; Y343-P433 HydrophobicContact CE1-CG 4.07Å; Y343-P433 HydrophobicContact CE2-CG 4.03Å; Y343-P433 HydrophobicContact CG-CB 4.5Å; Y343-P433 HydrophobicContact CG-CG 3.8Å
344	A	92.1	Very high	92.9	Very high	27 Å²	27	17.5 Å²	17.5	22%	0.223	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	-127	-172.1	0	0	0	0	0	110.8	G282 F284 T285 K346	G282-A344 VanDerWaalsContact O-CB 3.26Å; G282-A344 WeakPolarHBondContact O-CB 3.35Å; F284-A344 VanDerWaalsContact O-CB 3.27Å; F284-A344 WeakPolarHBondContact O-CB 3.49Å; T285-A344 HydrophobicContact CG2-CB 4.29Å; A344-K346 VanDerWaalsContact C-N 3.28Å; A344-K346 PolarHBondContact O-N 2.91Å
345	E	92.5	Very high	92.1	Very high	11 Å²	11	19.9 Å²	19.9	5%	0.051	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	16.3	-178.5	-54.7	-179	152	0	0	113.2	G282 Y343 P381 F603 N604 R607	G282-E345 VanDerWaalsContact CA-OE2 3.28Å; G282-E345 WeakPolarHBondContact CA-OE2 3.21Å; G282-E345 WeakPolarHBondContact O-CB 3.16Å; G282-E345 PolarHBondContact O-N 3.45Å; G282-E345 VanDerWaalsContact O-N 3.15Å; Y343-E345 PolarHBondContact O-N 3.17Å; E345-P381 WeakPolarHBondContact O-CD 3.36Å; E345-F603 HydrophobicContact CB-CD1 3.87Å; E345-F603 HydrophobicContact CB-CE1 4.1Å; E345-F603 HydrophobicContact CG-CD1 4.04Å; E345-N604 WeakPolarHBondContact OE1-CB 3.49Å; E345-N604 PolarHBondContact OE1-N 3.46Å; E345-R607 IonicContact OE2-CZ 3.3Å; E345-R607 VanDerWaalsContact OE2-CZ 3.3Å; E345-R607 IonicContact OE2-NE 3.78Å; E345-R607 IonicContact OE2-NH1 3.97Å; E345-R607 PolarHBondContact OE2-NH1 3.27Å
346	K	94.6	Very high	91.1	Very high	19 Å²	19	25.3 Å²	25.3	8%	0.083	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	156.3	-176.1	-56.9	-165	-168.1	171.5	0	112.9	N281 L283 T342 Y343 A344 F348	N281-K346 WeakPolarHBondContact O-CE 3.27Å; N281-K346 PolarHBondContact O-NZ 2.99Å; L283-K346 HydrophobicContact CD2-CB 4.36Å; L283-K346 HydrophobicContact CD2-CD 3.73Å; L283-K346 HydrophobicContact CD2-CG 4.07Å; L283-K346 HydrophobicContact CG-CD 4.21Å; T342-K346 WeakPolarHBondContact CA-O 3.41Å; Y343-K346 PolarHBondContact N-O 2.68Å; Y343-K346 PolarHBondContact O-N 2.99Å; A344-K346 VanDerWaalsContact C-N 3.28Å; A344-K346 PolarHBondContact O-N 2.91Å; K346-F348 HydrophobicContact CB-CE2 4.03Å; K346-F348 HydrophobicContact CB-CZ 4.42Å
347	M	95.6	Very high	90.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141.1	174.4	-65.8	171.6	-168.5	0	0	110.1	Y297 L340 T341 T342 C378 F379 P381 I601 W610	Y297-M347 HydrophobicContact CD1-CE 3.54Å; Y297-M347 HydrophobicContact CD1-SD 3.57Å; Y297-M347 VanDerWaalsContact CD1-SD 3.57Å; Y297-M347 HydrophobicContact CD2-CE 3.55Å; Y297-M347 HydrophobicContact CD2-SD 4.3Å; Y297-M347 HydrophobicContact CE1-CE 3.93Å; Y297-M347 HydrophobicContact CE1-SD 3.44Å; Y297-M347 WeakPolarHBondContact CE1-SD 3.5Å; Y297-M347 HydrophobicContact CE2-CE 3.93Å; Y297-M347 HydrophobicContact CE2-SD 4.18Å; Y297-M347 HydrophobicContact CG-CE 3.3Å; Y297-M347 HydrophobicContact CG-SD 3.99Å; L340-M347 HydrophobicContact CD2-CB 4.37Å; L340-M347 HydrophobicContact CD2-CG 4.26Å; L340-M347 HydrophobicContact CD2-SD 4.29Å; T341-M347 CarbonylContact O-C 3.51Å; T341-M347 WeakPolarHBondContact O-CA 3.43Å; T342-M347 HydrophobicContact CG2-CG 3.83Å; M347-C378 CarbonylContact O-C 3.5Å; M347-C378 WeakPolarHBondContact O-CA 3.34Å; M347-F379 HydrophobicContact CB-CB 4.33Å; M347-F379 HydrophobicContact CB-CD1 4.45Å; M347-F379 PolarHBondContact N-O 3.22Å; M347-F379 PolarHBondContact O-N 3.35Å; M347-F379 HydrophobicContact SD-CD1 3.91Å; M347-F379 HydrophobicContact SD-CE1 4.4Å; M347-P381 HydrophobicContact CE-CG 4.03Å; M347-P381 HydrophobicContact SD-CG 4.45Å; M347-I601 HydrophobicContact CE-CB 4.11Å; M347-I601 HydrophobicContact CE-CD1 3.53Å; M347-I601 HydrophobicContact CE-CG1 4.42Å; M347-I601 HydrophobicContact CE-CG2 3.86Å; M347-I601 HydrophobicContact CG-CD1 4.12Å; M347-W610 HydrophobicContact CE-CH2 4.17Å
348	F	97.1	Very high	89.4	Confident	4 Å²	4	25.5 Å²	25.5	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123	177.3	-67	-86.5	0	0	0	109	L283 L340 T341 K346 V376 W377 C378 V408 Y431 P433	L283-F348 HydrophobicContact CD2-CZ 4.45Å; L340-F348 WeakPolarHBondContact CA-O 3.46Å; T341-F348 HydrophobicContact CG2-CB 4.12Å; T341-F348 PolarHBondContact N-O 2.74Å; T341-F348 PolarHBondContact O-N 2.85Å; K346-F348 HydrophobicContact CB-CE2 4.03Å; K346-F348 HydrophobicContact CB-CZ 4.42Å; F348-V376 HydrophobicContact CD1-CG1 4.45Å; F348-W377 CarbonylContact C-O 3.21Å; F348-W377 WeakPolarHBondContact CA-O 3.35Å; F348-C378 HydrophobicContact CD1-CB 4.11Å; F348-C378 HydrophobicContact CE1-CB 3.77Å; F348-V408 HydrophobicContact CD2-CG2 4.44Å; F348-Y431 HydrophobicContact CD1-CD1 4.38Å; F348-Y431 HydrophobicContact CD1-CE1 4.04Å; F348-Y431 HydrophobicContact CE1-CD1 4.23Å; F348-Y431 AromaticContact CE1-CE1 3.53Å; F348-Y431 HydrophobicContact CE1-CE1 3.53Å; F348-Y431 HydrophobicContact CZ-CE1 4.07Å; F348-P433 HydrophobicContact CE2-CB 4.42Å; F348-P433 HydrophobicContact CE2-CG 4.28Å; F348-P433 HydrophobicContact CZ-CB 3.98Å; F348-P433 HydrophobicContact CZ-CG 4.21Å
349	I	96.8	Very high	88.2	Confident	3 Å²	3	27.4 Å²	27.4	2%	0.015	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.4	170.4	-54.8	87.1	0	0	0	107.2	I332 P333 Y339 L340 V376 W377 F379	I332-I349 HydrophobicContact CG2-CD1 3.86Å; I332-I349 HydrophobicContact CG2-CG1 4.35Å; P333-I349 WeakPolarHBondContact O-CG2 3.39Å; Y339-I349 WeakPolarHBondContact O-CA 3.37Å; L340-I349 HydrophobicContact CB-CG1 4.46Å; L340-I349 HydrophobicContact CD1-CG1 4.22Å; L340-I349 HydrophobicContact CG-CG1 4.27Å; I349-V376 CarbonylContact O-C 3.56Å; I349-V376 VanDerWaalsContact O-CA 3.28Å; I349-V376 WeakPolarHBondContact O-CA 3.48Å; I349-W377 HydrophobicContact CB-CB 4.37Å; I349-W377 HydrophobicContact CD1-CB 4.38Å; I349-W377 PolarHBondContact N-O 3.43Å; I349-W377 PolarHBondContact O-N 2.97Å; I349-F379 HydrophobicContact CD1-CB 4.35Å
350	T	97.3	Very high	86.7	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.6	-174.4	53.1	0	0	0	0	110.7	S338 Y339 V376 H399 V410 W438	S338-T350 WeakPolarHBondContact CA-O 3.27Å; Y339-T350 PolarHBondContact N-O 3.04Å; Y339-T350 PolarHBondContact O-N 2.99Å; Y339-T350 PolarHBondContact O-OG1 2.8Å; T350-V376 HydrophobicContact CG2-CG1 4.05Å; T350-V376 HydrophobicContact CG2-CG2 4.42Å; T350-H399 PolarHBondContact O-CE1 2.92Å; T350-H399 PolarHBondContact O-NE2 3.18Å; T350-H399 VanDerWaalsContact O-NE2 3.14Å; T350-H399 PolarHBondContact OG1-NE2 3.35Å; T350-V410 HydrophobicContact CG2-CG2 4.15Å; T350-W438 HydrophobicContact CG2-CH2 4.35Å
351	G	95.2	Very high	84.8	Confident	2 Å²	2	29 Å²	29	2%	0.021	17%	0.165	C	C	.	.			trans	58.1	-148.2	171.7	0	0	0	0	0	114.4	P335 S338 I373 E375 M392 R396	P335-G351 WeakPolarHBondContact CG-O 3.5Å; S338-G351 WeakPolarHBondContact CB-O 3.47Å; G351-I373 WeakPolarHBondContact CA-O 3.41Å; G351-E375 PolarHBondContact N-O 3.21Å; G351-M392 VanDerWaalsContact CA-CE 3.45Å; G351-R396 CarbonylContact C-O 3.44Å; G351-R396 WeakPolarHBondContact CA-O 3.5Å
352	G	91.8	Very high	82.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.181	C	C	.	.			trans	117.6	-171.3	-173.9	0	0	0	0	0	112.2	P336 A372 I373 R396	P336-G352 CarbonylContact O-C 3.53Å; P336-G352 VanDerWaalsContact O-CA 3.3Å; P336-G352 WeakPolarHBondContact O-CA 3.49Å; G352-A372 CarbonylContact O-C 3.58Å; G352-A372 WeakPolarHBondContact O-CA 3.04Å; G352-I373 PolarHBondContact O-N 2.91Å; G352-R396 PolarHBondContact N-O 2.8Å
353	C	88.6	Confident	80.7	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.02	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-123.3	138.9	-178.3	177	0	0	0	0	111.3	P336 C357 N371	P336-C353 PolarHBondContact O-N 3.22Å; C353-C357 HydrophobicContact CB-CB 3.55Å; C353-C357 WeakPolarHBondContact CB-SG 3.27Å; C353-C357 WeakPolarHBondContact SG-CB 3.5Å; C353-C357 CovalentContact SG-SG 2.05Å; C353-C357 PolarHBondContact SG-SG 3.49Å; C353-N371 CarbonylContact C-O 3.46Å; C353-N371 WeakPolarHBondContact CA-O 3.44Å; C353-N371 PolarHBondContact SG-N 3.29Å
354	R	86.8	Confident	78.5	Confident	137 Å²	137	42.2 Å²	42.2	52%	0.517	22%	0.222	S	C	.	.			trans	-89.9	139.3	167.4	-75.4	174.6	177.6	-75.7	1.4	110.3	N371 I373 E375	R354-N371 HydrophobicContact CB-CB 4.44Å; R354-N371 PolarHBondContact N-O 2.69Å; R354-N371 WeakPolarHBondContact O-CB 3.21Å; R354-I373 HydrophobicContact CB-CG2 4.39Å; R354-I373 HydrophobicContact CG-CG2 3.57Å; R354-E375 IonicContact CZ-OE1 3.53Å; R354-E375 IonicContact NE-OE1 3.68Å; R354-E375 IonicContact NH2-OE1 2.61Å; R354-E375 PolarHBondContact NH2-OE1 3.41Å; R354-E375 IonicContact NH2-OE2 3.57Å
355	G	73.4	Confident	76.4	Confident	61 Å²	61	45 Å²	45	63%	0.629	24%	0.237	S	C	*	.	S	Bend	trans	104.2	-153.1	176.5	0	0	0	0	0	112.9	C357	G355-C357 PolarHBondContact O-N 3.43Å
356	N	68.1	Low	74.6	Confident	143 Å²	143	45.2 Å²	45.2	77%	0.765	24%	0.24	S	C	*	.	S	Bend	trans	-84.6	18.9	-171.2	-66.8	-8.3	0	0	0	114.1	C358 E367	N356-C358 PolarHBondContact O-N 3.25Å; N356-C358 VanDerWaalsContact O-N 3.17Å; N356-E367 VanDerWaalsContact O-CG 3.24Å; N356-E367 WeakPolarHBondContact O-CG 3.21Å
357	C	72.8	Confident	73.1	Confident	10 Å²	10	47.8 Å²	47.8	7%	0.068	25%	0.252	C	S	.	.			trans	-53.5	123.1	173.7	-80.1	0	0	0	0	109.7	P336 C353 G355 R359 H370	P336-C357 HydrophobicContact CB-CB 4.03Å; P336-C357 VanDerWaalsContact CB-O 3.32Å; P336-C357 WeakPolarHBondContact CB-O 3.31Å; P336-C357 VanDerWaalsContact CG-O 3.24Å; P336-C357 WeakPolarHBondContact CG-O 3.19Å; C353-C357 HydrophobicContact CB-CB 3.55Å; C353-C357 WeakPolarHBondContact CB-SG 3.27Å; C353-C357 WeakPolarHBondContact SG-CB 3.5Å; C353-C357 CovalentContact SG-SG 2.05Å; C353-C357 PolarHBondContact SG-SG 3.49Å; G355-C357 PolarHBondContact O-N 3.43Å; C357-R359 PolarHBondContact O-N 3.49Å; C357-H370 VanDerWaalsContact SG-CD2 3.57Å
358	C	66.7	Low	71.7	Confident	34 Å²	34	51.9 Å²	51.9	23%	0.23	28%	0.279	C	S	.	.			trans	-59.7	136.9	176.3	-62.2	0	0	0	0	109.9	N356	N356-C358 PolarHBondContact O-N 3.25Å; N356-C358 VanDerWaalsContact O-N 3.17Å
359	R	67.9	Low	70.8	Confident	50 Å²	50	57.3 Å²	57.3	19%	0.189	30%	0.3	C	S	.	.	S	Bend	trans	-70.8	-31.7	166.5	-68.3	-176.8	174.7	-85.1	-6.1	110.5	T301 E302 E303 D334 P336 C357 I361	T301-R359 WeakPolarHBondContact O-CD 3.33Å; T301-R359 PolarHBondContact O-NE 3.37Å; T301-R359 PolarHBondContact O-NH1 3.15Å; E302-R359 PolarHBondContact O-NE 3.34Å; E303-R359 HydrophobicContact CG-CB 4.35Å; D334-R359 PolarHBondContact O-NH1 3.48Å; D334-R359 PolarHBondContact O-NH2 2.92Å; D334-R359 IonicContact OD1-NH1 3.84Å; D334-R359 IonicContact OD2-NH1 2.7Å; D334-R359 PolarHBondContact OD2-NH1 3.35Å; P336-R359 HydrophobicContact CB-CG 3.98Å; P336-R359 HydrophobicContact CG-CG 3.77Å; C357-R359 PolarHBondContact O-N 3.49Å; R359-I361 PolarHBondContact O-N 3.46Å
360	A	61.1	Low	70	Confident	21 Å²	21	57.2 Å²	57.2	17%	0.174	30%	0.299	C	S	.	.			trans	-80.5	117.5	-179.6	0	0	0	0	0	112.9	R362 E595	A360-R362 PolarHBondContact O-N 2.88Å; A360-E595 WeakPolarHBondContact CA-OE1 3.43Å; A360-E595 WeakPolarHBondContact CA-OE2 3.36Å; A360-E595 WeakPolarHBondContact CB-OE1 3.49Å; A360-E595 WeakPolarHBondContact CB-OE2 3.48Å
361	I	56.3	Low	69.6	Low	56 Å²	56	60 Å²	60	29%	0.287	31%	0.314	S	S	.	.			trans	-93.3	59.5	168	-50.4	177.9	0	0	0	106.6	R359 L363 M398 Y450 E595	R359-I361 PolarHBondContact O-N 3.46Å; I361-L363 PolarHBondContact O-N 2.84Å; I361-M398 HydrophobicContact CD1-CE 4.38Å; I361-M398 HydrophobicContact CD1-CG 4.24Å; I361-M398 HydrophobicContact CD1-SD 4.25Å; I361-M398 HydrophobicContact CG1-CE 4.33Å; I361-Y450 HydrophobicContact CD1-CD1 4.19Å; I361-Y450 HydrophobicContact CD1-CE1 4.11Å; I361-Y450 HydrophobicContact CG2-CD1 3.97Å; I361-Y450 HydrophobicContact CG2-CE1 3.38Å; I361-E595 PolarHBondContact N-OE1 3.06Å
362	R	56.3	Low	69.4	Low	96 Å²	96	60.1 Å²	60.1	36%	0.362	32%	0.315	S	S	.	.			trans	-69.9	131.7	158.1	-73.7	-169.8	172.6	155.4	9.7	106.6	A360 H364 V365 D563 P566	A360-R362 PolarHBondContact O-N 2.88Å; R362-H364 PolarHBondContact O-N 3.15Å; R362-V365 PolarHBondContact O-N 3.26Å; R362-V365 VanDerWaalsContact O-N 3.16Å; R362-D563 IonicContact NE-OD2 3.04Å; R362-D563 IonicContact NH2-OD2 3.14Å; R362-P566 PolarHBondContact NH1-O 2.99Å; R362-P566 PolarHBondContact NH2-O 2.86Å
363	L	48.7	Very low	69.5	Low	84 Å²	84	60.8 Å²	60.8	44%	0.44	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-36.5	-3	-169.4	-73.1	158.7	0	0	0	119	I361 H502	I361-L363 PolarHBondContact O-N 2.84Å; L363-H502 WeakPolarHBondContact CD2-CE1 3.44Å
364	H	48.3	Very low	69.9	Low	124 Å²	124	63.8 Å²	63.8	57%	0.574	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.7	3.7	-172	-59	90.1	0	0	0	116.4	R362	R362-H364 PolarHBondContact O-N 3.15Å
365	V	49.3	Very low	70.4	Confident	87 Å²	87	60 Å²	60	53%	0.527	32%	0.323	S	S	.	.			trans	-134	63.4	-174.6	-160.8	0	0	0	0	113.7	R362	R362-V365 PolarHBondContact O-N 3.26Å; R362-V365 VanDerWaalsContact O-N 3.16Å
366	A	54.2	Low	71.5	Confident	14 Å²	14	57.3 Å²	57.3	12%	0.116	29%	0.294	C	S	.	.			trans	-80	139.1	154.7	0	0	0	0	0	109.1	M398 R419	A366-M398 HydrophobicContact CB-CE 4.34Å; A366-R419 PolarHBondContact O-NH2 2.76Å
367	E	63	Low	72.9	Confident	74 Å²	74	53.8 Å²	53.8	35%	0.346	27%	0.27	S	S	.	.			trans	-54.6	147.3	170.7	-78.8	-72.3	145.7	0	0	110.4	N356 Y369 H370	N356-E367 VanDerWaalsContact O-CG 3.24Å; N356-E367 WeakPolarHBondContact O-CG 3.21Å; E367-Y369 PolarHBondContact O-N 3.33Å; E367-Y369 VanDerWaalsContact O-N 3.17Å; E367-H370 PolarHBondContact O-CE1 2.97Å
368	P	65.9	Low	74	Confident	85 Å²	85	54 Å²	54	55%	0.552	27%	0.271	S	S	*	.	S	Bend	trans	-65.1	-16.8	179.1	24.9	-32.4	0	0	0	112.7	A418 R419	P368-A418 CarbonylContact O-C 3.45Å; P368-A418 WeakPolarHBondContact O-CA 3.19Å; P368-R419 PolarHBondContact O-N 2.65Å
369	Y	77.9	Confident	75.3	Confident	118 Å²	118	52.5 Å²	52.5	46%	0.463	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.4	177.1	-173.5	-91.3	0	0	0	111	E367 N371 E416 A418	E367-Y369 PolarHBondContact O-N 3.33Å; E367-Y369 VanDerWaalsContact O-N 3.17Å; Y369-N371 HydrophobicContact CE1-CB 4.16Å; Y369-E416 HydrophobicContact CE1-CG 4.44Å; Y369-E416 VanDerWaalsContact OH-CG 3.27Å; Y369-E416 WeakPolarHBondContact OH-CG 3.48Å; Y369-E416 PolarHBondContact OH-OE1 3.34Å; Y369-A418 HydrophobicContact CD2-CB 4.42Å
370	H	81.1	Confident	76.5	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.2	174.5	-62.6	80.8	0	0	0	109.7	C357 E367 T397 R414 E416 G417	C357-H370 VanDerWaalsContact SG-CD2 3.57Å; E367-H370 PolarHBondContact O-CE1 2.97Å; H370-T397 HydrophobicContact CB-CG2 4.23Å; H370-R414 PolarHBondContact ND1-NE 3.35Å; H370-E416 VanDerWaalsContact O-CA 3.29Å; H370-E416 WeakPolarHBondContact O-CA 3.48Å; H370-G417 PolarHBondContact N-O 3.41Å; H370-G417 PolarHBondContact O-N 3.19Å
371	N	87.9	Confident	78	Confident	60 Å²	60	49.6 Å²	49.6	32%	0.321	25%	0.247	S	C	.	.			trans	-105.2	78.5	168.4	-175.3	-0.6	0	0	0	108.4	C353 R354 Y369	C353-N371 CarbonylContact C-O 3.46Å; C353-N371 WeakPolarHBondContact CA-O 3.44Å; C353-N371 PolarHBondContact SG-N 3.29Å; R354-N371 HydrophobicContact CB-CB 4.44Å; R354-N371 PolarHBondContact N-O 2.69Å; R354-N371 WeakPolarHBondContact O-CB 3.21Å; Y369-N371 HydrophobicContact CE1-CB 4.16Å
372	A	90.7	Very high	79.6	Confident	5 Å²	5	48.9 Å²	48.9	4%	0.041	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-65.3	147.8	-178.2	0	0	0	0	0	111.3	G352 P395 T397	G352-A372 CarbonylContact O-C 3.58Å; G352-A372 WeakPolarHBondContact O-CA 3.04Å; A372-P395 HydrophobicContact CB-CB 4.22Å; A372-P395 WeakPolarHBondContact O-CB 3Å; A372-T397 HydrophobicContact CB-CG2 4.14Å
373	I	94.6	Very high	81.1	Confident	14 Å²	14	47.7 Å²	47.7	7%	0.072	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-118.3	156.6	177.7	68	-173.9	0	0	0	111.7	P335 G351 G352 R354 E375 P395 R396	P335-I373 HydrophobicContact CG-CD1 4.02Å; G351-I373 WeakPolarHBondContact CA-O 3.41Å; G352-I373 PolarHBondContact O-N 2.91Å; R354-I373 HydrophobicContact CB-CG2 4.39Å; R354-I373 HydrophobicContact CG-CG2 3.57Å; I373-E375 HydrophobicContact CD1-CB 4.07Å; I373-E375 HydrophobicContact CD1-CG 4.39Å; I373-E375 HydrophobicContact CG1-CB 4.3Å; I373-P395 WeakPolarHBondContact O-CA 3.29Å; I373-R396 PolarHBondContact O-N 2.73Å
374	D	96.4	Very high	83	Confident	65 Å²	65	46.7 Å²	46.7	35%	0.348	24%	0.243	S	C	.	.			trans	-101.6	5.9	176.2	58.4	-5.1	0	0	0	112.7	A391 M392 P395	D374-A391 HydrophobicContact CB-CB 4.34Å; D374-A391 CarbonylContact O-C 3.58Å; D374-A391 VanDerWaalsContact O-CA 3.28Å; D374-A391 WeakPolarHBondContact O-CA 3.16Å; D374-A391 WeakPolarHBondContact O-CB 3.44Å; D374-M392 HydrophobicContact CB-CB 4.16Å; D374-M392 PolarHBondContact O-N 3.07Å; D374-P395 HydrophobicContact CB-CB 4.18Å
375	E	97.1	Very high	85	Confident	59 Å²	59	43.9 Å²	43.9	28%	0.276	24%	0.235	S	C	.	.			trans	-65.8	144.1	-176.7	-68.3	177	-158.5	0	0	112.6	G351 R354 I373	G351-E375 PolarHBondContact N-O 3.21Å; R354-E375 IonicContact CZ-OE1 3.53Å; R354-E375 IonicContact NE-OE1 3.68Å; R354-E375 IonicContact NH2-OE1 2.61Å; R354-E375 PolarHBondContact NH2-OE1 3.41Å; R354-E375 IonicContact NH2-OE2 3.57Å; I373-E375 HydrophobicContact CD1-CB 4.07Å; I373-E375 HydrophobicContact CD1-CG 4.39Å; I373-E375 HydrophobicContact CG1-CB 4.3Å
376	V	97.8	Very high	87.1	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.4	178.4	-172.3	0	0	0	0	108.4	F348 I349 T350 A389 P390 M392 W438	F348-V376 HydrophobicContact CD1-CG1 4.45Å; I349-V376 CarbonylContact O-C 3.56Å; I349-V376 VanDerWaalsContact O-CA 3.28Å; I349-V376 WeakPolarHBondContact O-CA 3.48Å; T350-V376 HydrophobicContact CG2-CG1 4.05Å; T350-V376 HydrophobicContact CG2-CG2 4.42Å; V376-A389 HydrophobicContact CB-CB 4.07Å; V376-A389 HydrophobicContact CG1-CB 3.87Å; V376-A389 PolarHBondContact O-N 3.31Å; V376-P390 WeakPolarHBondContact CG2-O 3.49Å; V376-M392 HydrophobicContact CG2-CG 3.69Å; V376-W438 HydrophobicContact CG1-CZ2 4.4Å; V376-W438 HydrophobicContact CG2-CZ2 3.65Å
377	W	97.2	Very high	89	Confident	69 Å²	69	43.8 Å²	43.8	26%	0.261	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.8	179.6	-66.2	88.1	0	0	0	109.9	P333 F348 I349 P388	P333-W377 HydrophobicContact CB-CD2 4.35Å; P333-W377 HydrophobicContact CB-CG 4.11Å; P333-W377 HydrophobicContact CG-CB 4.27Å; P333-W377 HydrophobicContact CG-CD2 3.55Å; P333-W377 HydrophobicContact CG-CE3 3.94Å; P333-W377 HydrophobicContact CG-CG 3.67Å; P333-W377 HydrophobicContact CG-CZ2 4.34Å; P333-W377 HydrophobicContact CG-CZ3 4.46Å; F348-W377 CarbonylContact C-O 3.21Å; F348-W377 WeakPolarHBondContact CA-O 3.35Å; I349-W377 HydrophobicContact CB-CB 4.37Å; I349-W377 HydrophobicContact CD1-CB 4.38Å; I349-W377 PolarHBondContact N-O 3.43Å; I349-W377 PolarHBondContact O-N 2.97Å; W377-P388 HydrophobicContact CE3-CG 4.12Å; W377-P388 HydrophobicContact CH2-CG 3.87Å; W377-P388 HydrophobicContact CZ3-CB 4.43Å; W377-P388 HydrophobicContact CZ3-CG 3.61Å
378	C	96.3	Very high	90.6	Very high	14 Å²	14	44.8 Å²	44.8	10%	0.095	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115	175	177.2	0	0	0	0	108.7	M347 F348 C386 T387 A389	M347-C378 CarbonylContact O-C 3.5Å; M347-C378 WeakPolarHBondContact O-CA 3.34Å; F348-C378 HydrophobicContact CD1-CB 4.11Å; F348-C378 HydrophobicContact CE1-CB 3.77Å; C378-C386 WeakPolarHBondContact O-CA 3.35Å; C378-T387 PolarHBondContact N-O 3.24Å; C378-T387 PolarHBondContact O-N 3.35Å; C378-A389 HydrophobicContact CB-CB 4.41Å
379	F	94.4	Very high	92	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.4	171.4	176.3	-120.1	0	0	0	110.1	L327 V330 I332 M347 I349 P381 L384 C386	L327-F379 HydrophobicContact CD2-CE2 4.22Å; L327-F379 HydrophobicContact CD2-CZ 3.68Å; V330-F379 HydrophobicContact CG1-CE2 4.04Å; I332-F379 HydrophobicContact CD1-CD1 3.91Å; I332-F379 HydrophobicContact CD1-CD2 4.36Å; I332-F379 HydrophobicContact CD1-CE1 3.8Å; I332-F379 HydrophobicContact CD1-CE2 4.28Å; I332-F379 HydrophobicContact CD1-CG 4.2Å; I332-F379 HydrophobicContact CD1-CZ 4.01Å; I332-F379 HydrophobicContact CG1-CD2 4.24Å; I332-F379 HydrophobicContact CG1-CE2 4.4Å; I332-F379 HydrophobicContact CG1-CG 4.31Å; M347-F379 HydrophobicContact CB-CB 4.33Å; M347-F379 HydrophobicContact CB-CD1 4.45Å; M347-F379 PolarHBondContact N-O 3.22Å; M347-F379 PolarHBondContact O-N 3.35Å; M347-F379 HydrophobicContact SD-CD1 3.91Å; M347-F379 HydrophobicContact SD-CE1 4.4Å; I349-F379 HydrophobicContact CD1-CB 4.35Å; F379-P381 HydrophobicContact CD1-CG 4.04Å; F379-P381 HydrophobicContact CE1-CB 4.18Å; F379-P381 HydrophobicContact CE1-CG 3.71Å; F379-P381 HydrophobicContact CZ-CB 4.44Å; F379-P381 HydrophobicContact CZ-CG 4.39Å; F379-L384 HydrophobicContact CZ-CD2 4.49Å; F379-C386 HydrophobicContact CD2-CB 4.13Å
380	C	93.1	Very high	93	Very high	8 Å²	8	38.3 Å²	38.3	5%	0.054	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	105.2	175.3	-178.7	0	0	0	0	108.7	V382 T383 L384 T385	C380-V382 VanDerWaalsContact C-N 3.26Å; C380-V382 PolarHBondContact O-N 2.91Å; C380-T383 WeakPolarHBondContact CB-OG1 3.43Å; C380-T383 PolarHBondContact O-N 2.82Å; C380-T383 PolarHBondContact SG-OG1 3.32Å; C380-L384 WeakPolarHBondContact O-CA 3.45Å; C380-L384 PolarHBondContact O-N 2.93Å; C380-T385 PolarHBondContact N-O 2.94Å; C380-T385 PolarHBondContact O-N 2.89Å
381	P	91.2	Very high	93.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-33.7	178.6	-25.4	35.8	0	0	0	113.2	E345 M347 F379 T383 L384 I601 F603 P609 W610	E345-P381 WeakPolarHBondContact O-CD 3.36Å; M347-P381 HydrophobicContact CE-CG 4.03Å; M347-P381 HydrophobicContact SD-CG 4.45Å; F379-P381 HydrophobicContact CD1-CG 4.04Å; F379-P381 HydrophobicContact CE1-CB 4.18Å; F379-P381 HydrophobicContact CE1-CG 3.71Å; F379-P381 HydrophobicContact CZ-CB 4.44Å; F379-P381 HydrophobicContact CZ-CG 4.39Å; P381-T383 PolarHBondContact O-N 3.29Å; P381-L384 VanDerWaalsContact O-CD2 3.3Å; P381-L384 WeakPolarHBondContact O-CD2 3.26Å; P381-L384 PolarHBondContact O-N 3.32Å; P381-I601 HydrophobicContact CG-CD1 4.06Å; P381-F603 HydrophobicContact CB-CE1 4.06Å; P381-F603 HydrophobicContact CB-CZ 3.74Å; P381-F603 HydrophobicContact CG-CE1 4.21Å; P381-F603 HydrophobicContact CG-CZ 3.89Å; P381-P609 HydrophobicContact CB-CG 4.02Å; P381-W610 HydrophobicContact CB-CH2 4.5Å; P381-W610 HydrophobicContact CB-CZ2 3.9Å; P381-W610 HydrophobicContact CG-CZ2 4.39Å
382	V	89.8	Confident	94.3	Very high	41 Å²	41	38 Å²	38	25%	0.248	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-40	-179.3	-174.3	0	0	0	0	112.3	C380 F603 R607	C380-V382 VanDerWaalsContact C-N 3.26Å; C380-V382 PolarHBondContact O-N 2.91Å; V382-F603 HydrophobicContact CG2-CD1 3.87Å; V382-F603 HydrophobicContact CG2-CE1 3.91Å; V382-R607 HydrophobicContact CG1-CB 4.39Å; V382-R607 WeakPolarHBondContact CG2-O 3.42Å
383	T	88.6	Confident	94.6	Very high	71 Å²	71	42.5 Å²	42.5	44%	0.436	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-4.2	-179.1	54.6	0	0	0	0	112.9	C380 P381 T385	C380-T383 WeakPolarHBondContact CB-OG1 3.43Å; C380-T383 PolarHBondContact O-N 2.82Å; C380-T383 PolarHBondContact SG-OG1 3.32Å; P381-T383 PolarHBondContact O-N 3.29Å; T383-T385 PolarHBondContact O-N 3.4Å; T383-T385 PolarHBondContact OG1-OG1 3.12Å
384	L	88.3	Confident	94.6	Very high	63 Å²	63	46 Å²	46	33%	0.33	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	39.1	-172.4	-59.1	174	0	0	0	112.9	L327 V330 F379 C380 P381	L327-L384 HydrophobicContact CD2-CD2 4.11Å; V330-L384 HydrophobicContact CG2-CB 4.35Å; V330-L384 WeakPolarHBondContact CG2-O 3.41Å; F379-L384 HydrophobicContact CZ-CD2 4.49Å; C380-L384 WeakPolarHBondContact O-CA 3.45Å; C380-L384 PolarHBondContact O-N 2.93Å; P381-L384 VanDerWaalsContact O-CD2 3.3Å; P381-L384 WeakPolarHBondContact O-CD2 3.26Å; P381-L384 PolarHBondContact O-N 3.32Å
385	T	90.6	Very high	94.4	Very high	65 Å²	65	44.6 Å²	44.6	40%	0.399	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.6	179.7	56.2	0	0	0	0	111	C380 T383	C380-T385 PolarHBondContact N-O 2.94Å; C380-T385 PolarHBondContact O-N 2.89Å; T383-T385 PolarHBondContact O-N 3.4Å; T383-T385 PolarHBondContact OG1-OG1 3.12Å
386	C	93	Very high	94.2	Very high	29 Å²	29	41.9 Å²	41.9	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.1	167.9	-166.9	0	0	0	0	109.4	P333 C378 F379	P333-C386 WeakPolarHBondContact CD-SG 3.25Å; C378-C386 WeakPolarHBondContact O-CA 3.35Å; F379-C386 HydrophobicContact CD2-CB 4.13Å
387	T	94.3	Very high	93.8	Very high	71 Å²	71	41.8 Å²	41.8	44%	0.436	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.8	-175.8	56.6	0	0	0	0	111.2	C378 A389	C378-T387 PolarHBondContact N-O 3.24Å; C378-T387 PolarHBondContact O-N 3.35Å; T387-A389 PolarHBondContact O-N 3.27Å
388	P	96.2	Very high	93.4	Very high	94 Å²	94	39.5 Å²	39.5	61%	0.61	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.8	139	171.6	-20	30.6	0	0	0	111.3	W377	W377-P388 HydrophobicContact CE3-CG 4.12Å; W377-P388 HydrophobicContact CH2-CG 3.87Å; W377-P388 HydrophobicContact CZ3-CB 4.43Å; W377-P388 HydrophobicContact CZ3-CG 3.61Å
389	A	96.4	Very high	93.2	Very high	21 Å²	21	39.1 Å²	39.1	17%	0.174	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	167.8	169.7	0	0	0	0	0	109.4	V376 C378 T387 A391	V376-A389 HydrophobicContact CB-CB 4.07Å; V376-A389 HydrophobicContact CG1-CB 3.87Å; V376-A389 PolarHBondContact O-N 3.31Å; C378-A389 HydrophobicContact CB-CB 4.41Å; T387-A389 PolarHBondContact O-N 3.27Å; A389-A391 PolarHBondContact O-N 3.18Å
390	P	98.1	Very high	93.2	Very high	46 Å²	46	38.9 Å²	38.9	30%	0.299	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-52.1	133.4	174.9	-27.5	36.2	0	0	0	111.8	V376 Y431 Q436 W438	V376-P390 WeakPolarHBondContact CG2-O 3.49Å; P390-Y431 HydrophobicContact CB-CE2 4.35Å; P390-Y431 HydrophobicContact CG-CE2 4.12Å; P390-Q436 HydrophobicContact CG-CB 4.04Å; P390-Q436 WeakPolarHBondContact CG-O 3.48Å; P390-W438 PolarHBondContact O-NE1 2.93Å
391	A	98.1	Very high	93.4	Very high	50 Å²	50	38.6 Å²	38.6	41%	0.413	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-64.9	149	179.4	0	0	0	0	0	111.8	D374 A389 W438	D374-A391 HydrophobicContact CB-CB 4.34Å; D374-A391 CarbonylContact O-C 3.58Å; D374-A391 VanDerWaalsContact O-CA 3.28Å; D374-A391 WeakPolarHBondContact O-CA 3.16Å; D374-A391 WeakPolarHBondContact O-CB 3.44Å; A389-A391 PolarHBondContact O-N 3.18Å; A391-W438 PolarHBondContact O-NE1 2.96Å
392	M	97.8	Very high	93.7	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.03	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-59.1	158	171.9	-63.6	-174.2	-64.2	0	0	110.9	G351 D374 V376 K394 R396 V410 W438	G351-M392 VanDerWaalsContact CA-CE 3.45Å; D374-M392 HydrophobicContact CB-CB 4.16Å; D374-M392 PolarHBondContact O-N 3.07Å; V376-M392 HydrophobicContact CG2-CG 3.69Å; M392-K394 VanDerWaalsContact C-N 3.25Å; M392-K394 WeakPolarHBondContact CB-O 3.33Å; M392-K394 PolarHBondContact O-N 2.96Å; M392-R396 HydrophobicContact CE-CB 4.08Å; M392-R396 HydrophobicContact CE-CG 4.32Å; M392-V410 HydrophobicContact SD-CB 4.4Å; M392-V410 HydrophobicContact SD-CG1 4Å; M392-V410 HydrophobicContact SD-CG2 4.06Å; M392-W438 HydrophobicContact CB-CZ2 4.48Å; M392-W438 HydrophobicContact CG-CD2 4.4Å; M392-W438 HydrophobicContact CG-CE3 4.48Å; M392-W438 HydrophobicContact CG-CH2 3.62Å; M392-W438 HydrophobicContact CG-CZ2 3.49Å; M392-W438 VanDerWaalsContact CG-CZ2 3.49Å; M392-W438 HydrophobicContact CG-CZ3 4.13Å; M392-W438 HydrophobicContact SD-CH2 4.16Å
393	L	97.1	Very high	94	Very high	98 Å²	98	39.3 Å²	39.3	51%	0.513	24%	0.236	S	C	.	.	S	Bend	trans	-70.4	-26.3	175.9	-55.7	175.4	0	0	0	111.9	E429 W438	L393-E429 WeakPolarHBondContact CA-OE2 3.4Å; L393-E429 WeakPolarHBondContact CB-OE2 3.34Å; L393-E429 HydrophobicContact CD1-CB 4.48Å; L393-E429 VanDerWaalsContact CG-OE2 3.25Å; L393-E429 WeakPolarHBondContact CG-OE2 3.41Å; L393-E429 PolarHBondContact N-OE2 3.26Å; L393-W438 HydrophobicContact CD1-CB 4.39Å; L393-W438 HydrophobicContact CD2-CB 4.03Å; L393-W438 HydrophobicContact CG-CB 3.88Å
394	K	94.4	Very high	94.3	Very high	89 Å²	89	36.2 Å²	36.2	39%	0.387	22%	0.217	S	C	.	.	S	Bend	trans	-131.3	139.9	177.5	-64.4	-66	-173.6	173.2	0	110.6	M392 R396	M392-K394 VanDerWaalsContact C-N 3.25Å; M392-K394 WeakPolarHBondContact CB-O 3.33Å; M392-K394 PolarHBondContact O-N 2.96Å; K394-R396 WeakPolarHBondContact O-CG 3.44Å
395	P	93.9	Very high	94.6	Very high	35 Å²	35	36.3 Å²	36.3	23%	0.227	22%	0.218	C	C	.	.			trans	-72.1	134	171.7	26.3	-30.3	0	0	0	111.1	A372 I373 D374 T415	A372-P395 HydrophobicContact CB-CB 4.22Å; A372-P395 WeakPolarHBondContact O-CB 3Å; I373-P395 WeakPolarHBondContact O-CA 3.29Å; D374-P395 HydrophobicContact CB-CB 4.18Å; P395-T415 WeakPolarHBondContact O-CB 3.43Å; P395-T415 PolarHBondContact O-OG1 2.91Å
396	R	91.8	Very high	94.7	Very high	1 Å²	1	37 Å²	37	0%	0.004	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-140.5	146.5	-172.7	-55.1	-180	-174.7	-101.4	0.4	112.7	G351 G352 I373 M392 K394 H399 V410 G412 R414 L425 E427 E429	G351-R396 CarbonylContact C-O 3.44Å; G351-R396 WeakPolarHBondContact CA-O 3.5Å; G352-R396 PolarHBondContact N-O 2.8Å; I373-R396 PolarHBondContact O-N 2.73Å; M392-R396 HydrophobicContact CE-CB 4.08Å; M392-R396 HydrophobicContact CE-CG 4.32Å; K394-R396 WeakPolarHBondContact O-CG 3.44Å; R396-H399 HydrophobicContact CB-CB 4.28Å; R396-H399 WeakPolarHBondContact CB-ND1 3.44Å; R396-V410 VanDerWaalsContact CD-CG1 3.44Å; R396-G412 PolarHBondContact NH1-O 3.36Å; R396-R414 CarbonylContact C-O 3.52Å; R396-R414 VanDerWaalsContact CA-O 3.28Å; R396-R414 WeakPolarHBondContact CA-O 3.39Å; R396-L425 HydrophobicContact CB-CD1 4.35Å; R396-L425 HydrophobicContact CG-CD1 3.77Å; R396-E427 PolarHBondContact NH1-O 2.94Å; R396-E427 PolarHBondContact NH2-O 3.36Å; R396-E429 IonicContact CZ-OE1 3.4Å; R396-E429 VanDerWaalsContact CZ-OE1 3.29Å; R396-E429 IonicContact NE-OE1 2.75Å; R396-E429 PolarHBondContact NE-OE1 2.77Å; R396-E429 IonicContact NH2-OE1 3Å; R396-E429 PolarHBondContact NH2-OE1 3.34Å
397	T	90.4	Very high	94.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-140.5	154.2	167.8	-171.5	0	0	0	0	109.6	P336 G337 H370 A372 H399 G413 R414	P336-T397 PolarHBondContact O-OG1 2.86Å; G337-T397 CarbonylContact O-C 3.59Å; G337-T397 WeakPolarHBondContact O-CA 3.31Å; G337-T397 PolarHBondContact O-OG1 2.84Å; H370-T397 HydrophobicContact CB-CG2 4.23Å; A372-T397 HydrophobicContact CB-CG2 4.14Å; T397-H399 PolarHBondContact O-N 3.42Å; T397-H399 VanDerWaalsContact O-N 3.17Å; T397-G413 CarbonylContact O-C 3.55Å; T397-G413 WeakPolarHBondContact O-CA 3.43Å; T397-R414 HydrophobicContact CG2-CB 3.94Å; T397-R414 PolarHBondContact N-O 2.89Å; T397-R414 PolarHBondContact O-N 3.14Å
398	M	87.6	Confident	95	Very high	21 Å²	21	36.2 Å²	36.2	10%	0.103	20%	0.204	C	C	.	.	S	Bend	trans	54.4	31.3	-176	-54.2	-179.8	178	0	0	112.4	G337 I361 A366 G413 Y450 P451	G337-M398 PolarHBondContact O-N 2.82Å; I361-M398 HydrophobicContact CD1-CE 4.38Å; I361-M398 HydrophobicContact CD1-CG 4.24Å; I361-M398 HydrophobicContact CD1-SD 4.25Å; I361-M398 HydrophobicContact CG1-CE 4.33Å; A366-M398 HydrophobicContact CB-CE 4.34Å; M398-G413 WeakPolarHBondContact O-CA 3.31Å; M398-Y450 HydrophobicContact SD-CE1 4.1Å; M398-P451 VanDerWaalsContact O-CD 3.26Å; M398-P451 WeakPolarHBondContact O-CD 3.46Å
399	H	92.8	Very high	95.1	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.028	18%	0.175	C	C	.	.			trans	-89	169	170.8	60.3	-82.3	0	0	0	110.1	Y339 T350 R396 T397 V410 G412	Y339-H399 VanDerWaalsContact CD2-O 3.29Å; Y339-H399 WeakPolarHBondContact CD2-O 3.16Å; T350-H399 PolarHBondContact O-CE1 2.92Å; T350-H399 PolarHBondContact O-NE2 3.18Å; T350-H399 VanDerWaalsContact O-NE2 3.14Å; T350-H399 PolarHBondContact OG1-NE2 3.35Å; R396-H399 HydrophobicContact CB-CB 4.28Å; R396-H399 WeakPolarHBondContact CB-ND1 3.44Å; T397-H399 PolarHBondContact O-N 3.42Å; T397-H399 VanDerWaalsContact O-N 3.17Å; H399-V410 HydrophobicContact CB-CG1 4.18Å; H399-V410 WeakPolarHBondContact CD2-CG1 3.24Å; H399-G412 WeakPolarHBondContact CB-O 3.17Å
400	T	94.5	Very high	95.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	153	167.9	-172.5	0	0	0	0	109.6	Y339 V410 I411 P451 A453	Y339-T400 PolarHBondContact OH-OG1 2.86Å; T400-V410 WeakPolarHBondContact O-CA 3.1Å; T400-I411 HydrophobicContact CG2-CB 3.94Å; T400-I411 PolarHBondContact N-O 2.99Å; T400-I411 VanDerWaalsContact N-O 3.13Å; T400-I411 PolarHBondContact O-N 3.17Å; T400-P451 WeakPolarHBondContact CB-O 3.16Å; T400-P451 HydrophobicContact CG2-CB 3.75Å; T400-P451 HydrophobicContact CG2-CG 3.97Å; T400-A453 HydrophobicContact CG2-CB 3.59Å
401	A	97	Very high	95.1	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.017	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145	167.7	0	0	0	0	0	111.3	Y339 T341 V408 Y409 V410	Y339-A401 HydrophobicContact CD1-CB 3.6Å; Y339-A401 VanDerWaalsContact CD1-N 3.3Å; Y339-A401 HydrophobicContact CE1-CB 4.1Å; Y339-A401 WeakPolarHBondContact CE1-O 3.09Å; Y339-A401 HydrophobicContact CG-CB 4.31Å; T341-A401 HydrophobicContact CG2-CB 3.9Å; A401-V408 HydrophobicContact CB-CG1 4.38Å; A401-Y409 CarbonylContact C-O 3.59Å; A401-Y409 WeakPolarHBondContact CA-O 3.25Å; A401-Y409 WeakPolarHBondContact CB-O 3.43Å; A401-V410 HydrophobicContact CB-CG2 4.12Å
402	V	97.1	Very high	94.8	Very high	13 Å²	13	26.2 Å²	26.2	8%	0.079	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	140	-176.5	64.4	0	0	0	0	110.6	Y409 I411 A453 A455 I460	V402-Y409 PolarHBondContact N-O 3.26Å; V402-Y409 PolarHBondContact O-N 2.8Å; V402-I411 HydrophobicContact CG1-CD1 4.06Å; V402-A453 HydrophobicContact CB-CB 4.17Å; V402-A453 HydrophobicContact CG1-CB 3.98Å; V402-A455 HydrophobicContact CG2-CB 3.89Å; V402-I460 HydrophobicContact CG1-CD1 4.02Å; V402-I460 HydrophobicContact CG1-CG1 4.34Å; V402-I460 HydrophobicContact CG1-CG2 3.72Å
403	T	95.9	Very high	94.3	Very high	44 Å²	44	26 Å²	26	27%	0.27	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.2	176.6	-63.2	0	0	0	0	110.6	T342 Y343 R407 A455	T342-T403 PolarHBondContact O-OG1 3.17Å; Y343-T403 HydrophobicContact CD2-CG2 3.73Å; Y343-T403 HydrophobicContact CE2-CG2 4.43Å; T403-R407 CarbonylContact C-O 3.49Å; T403-R407 VanDerWaalsContact CA-O 3.28Å; T403-R407 WeakPolarHBondContact CA-O 3.36Å; T403-A455 VanDerWaalsContact O-CB 3.26Å; T403-A455 WeakPolarHBondContact O-CB 3.15Å
404	C	95.7	Very high	93.7	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.034	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	136.2	176	-172.6	0	0	0	0	109.9	D406 R407 Y409 A455 I460	C404-D406 PolarHBondContact O-N 2.78Å; C404-R407 PolarHBondContact N-O 2.96Å; C404-R407 PolarHBondContact O-N 2.93Å; C404-Y409 HydrophobicContact CB-CD2 4.18Å; C404-Y409 HydrophobicContact CB-CE2 4.05Å; C404-Y409 WeakPolarHBondContact O-CE2 3.39Å; C404-A455 HydrophobicContact CB-CB 4.04Å; C404-I460 HydrophobicContact CB-CD1 3.75Å; C404-I460 HydrophobicContact CB-CG1 3.64Å
405	L	93.6	Very high	93.4	Very high	66 Å²	66	18.5 Å²	18.5	35%	0.346	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	53.9	179	-59.2	178.3	0	0	0	113.6	R407 A485 Q486	L405-R407 PolarHBondContact O-N 2.8Å; L405-A485 HydrophobicContact CD1-CB 3.76Å; L405-A485 HydrophobicContact CG-CB 4.5Å; L405-Q486 HydrophobicContact CD1-CG 3.43Å; L405-Q486 VanDerWaalsContact CD1-CG 3.43Å
406	D	92.8	Very high	93	Very high	80 Å²	80	21.4 Å²	21.4	43%	0.428	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	27	179.4	-55.1	-50.3	0	0	0	115.1	T285 Y343 C404	T285-D406 VanDerWaalsContact CB-OD1 3.24Å; T285-D406 WeakPolarHBondContact CB-OD1 3.33Å; T285-D406 VanDerWaalsContact CG2-OD1 3.28Å; T285-D406 WeakPolarHBondContact CG2-OD1 3.33Å; T285-D406 PolarHBondContact OG1-OD1 3.19Å; Y343-D406 VanDerWaalsContact CE2-C 3.44Å; Y343-D406 HydrophobicContact CE2-CB 4.21Å; Y343-D406 WeakPolarHBondContact CE2-O 3.26Å; C404-D406 PolarHBondContact O-N 2.78Å
407	R	96	Very high	92.3	Very high	82 Å²	82	22 Å²	22	31%	0.309	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148.8	178.8	-63	164.8	-172.9	179.7	3.8	111	T403 C404 L405 Y409 Y430	T403-R407 CarbonylContact C-O 3.49Å; T403-R407 VanDerWaalsContact CA-O 3.28Å; T403-R407 WeakPolarHBondContact CA-O 3.36Å; C404-R407 PolarHBondContact N-O 2.96Å; C404-R407 PolarHBondContact O-N 2.93Å; L405-R407 PolarHBondContact O-N 2.8Å; R407-Y409 HydrophobicContact CB-CD2 4.29Å; R407-Y409 HydrophobicContact CB-CE2 3.74Å; R407-Y430 HydrophobicContact CB-CD2 3.9Å; R407-Y430 HydrophobicContact CB-CG 4.09Å; R407-Y430 HydrophobicContact CG-CD2 3.73Å; R407-Y430 HydrophobicContact CG-CE2 4.03Å; R407-Y430 HydrophobicContact CG-CG 4.26Å
408	V	97.9	Very high	91.4	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	108.6	173.9	175.4	0	0	0	0	108.5	T341 Y343 F348 A401 Y430 Y431 P433	T341-V408 HydrophobicContact CG2-CG1 3.47Å; T341-V408 VanDerWaalsContact CG2-CG1 3.47Å; T341-V408 HydrophobicContact CG2-CG2 4.42Å; Y343-V408 HydrophobicContact CD2-CG2 4.36Å; F348-V408 HydrophobicContact CD2-CG2 4.44Å; A401-V408 HydrophobicContact CB-CG1 4.38Å; V408-Y430 CarbonylContact O-C 3.57Å; V408-Y430 WeakPolarHBondContact O-CA 3.27Å; V408-Y430 WeakPolarHBondContact O-CB 3.21Å; V408-Y431 PolarHBondContact N-O 3.4Å; V408-Y431 PolarHBondContact O-N 3.42Å; V408-P433 HydrophobicContact CG2-CG 4.34Å
409	Y	98.4	Very high	90.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	139.7	176.8	-69.8	-98.8	0	0	0	110.4	A401 V402 C404 R407 V428 E429 Y430 V441 I460 Y483	A401-Y409 CarbonylContact C-O 3.59Å; A401-Y409 WeakPolarHBondContact CA-O 3.25Å; A401-Y409 WeakPolarHBondContact CB-O 3.43Å; V402-Y409 PolarHBondContact N-O 3.26Å; V402-Y409 PolarHBondContact O-N 2.8Å; C404-Y409 HydrophobicContact CB-CD2 4.18Å; C404-Y409 HydrophobicContact CB-CE2 4.05Å; C404-Y409 WeakPolarHBondContact O-CE2 3.39Å; R407-Y409 HydrophobicContact CB-CD2 4.29Å; R407-Y409 HydrophobicContact CB-CE2 3.74Å; Y409-V428 HydrophobicContact CD1-CG1 4.47Å; Y409-E429 CarbonylContact C-O 3.53Å; Y409-E429 WeakPolarHBondContact CA-O 3.49Å; Y409-Y430 HydrophobicContact CD1-CD1 4.49Å; Y409-Y430 AromaticContact CE1-CD1 3.79Å; Y409-Y430 HydrophobicContact CE1-CD1 3.79Å; Y409-Y430 HydrophobicContact CE1-CG 4.17Å; Y409-V441 HydrophobicContact CE1-CG1 4.37Å; Y409-V441 HydrophobicContact CE1-CG2 4.4Å; Y409-I460 HydrophobicContact CD1-CD1 3.99Å; Y409-I460 HydrophobicContact CD2-CD1 3.44Å; Y409-I460 VanDerWaalsContact CD2-CD1 3.44Å; Y409-I460 HydrophobicContact CE1-CD1 4.37Å; Y409-I460 HydrophobicContact CE2-CD1 3.85Å; Y409-I460 HydrophobicContact CG-CD1 3.51Å; Y409-Y483 HydrophobicContact CD1-CE1 4.22Å; Y409-Y483 AromaticContact CE1-CE1 3.64Å; Y409-Y483 HydrophobicContact CE1-CE1 3.64Å
410	V	97.8	Very high	88.9	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.9	171.8	176.6	0	0	0	0	108.9	T350 M392 R396 H399 T400 A401 E429 W438	T350-V410 HydrophobicContact CG2-CG2 4.15Å; M392-V410 HydrophobicContact SD-CB 4.4Å; M392-V410 HydrophobicContact SD-CG1 4Å; M392-V410 HydrophobicContact SD-CG2 4.06Å; R396-V410 VanDerWaalsContact CD-CG1 3.44Å; H399-V410 HydrophobicContact CB-CG1 4.18Å; H399-V410 WeakPolarHBondContact CD2-CG1 3.24Å; T400-V410 WeakPolarHBondContact O-CA 3.1Å; A401-V410 HydrophobicContact CB-CG2 4.12Å; V410-E429 HydrophobicContact CB-CG 4.3Å; V410-E429 PolarHBondContact N-O 3.46Å; V410-E429 PolarHBondContact O-N 3.17Å; V410-W438 HydrophobicContact CB-CZ3 4.31Å; V410-W438 HydrophobicContact CG2-CH2 3.6Å; V410-W438 HydrophobicContact CG2-CZ3 3.77Å
411	I	96.3	Very high	87.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132	-166.2	-53.4	166.7	0	0	0	110.6	T400 V402 V428 L444 P451 A453 I460 T462 W490	T400-I411 HydrophobicContact CG2-CB 3.94Å; T400-I411 PolarHBondContact N-O 2.99Å; T400-I411 VanDerWaalsContact N-O 3.13Å; T400-I411 PolarHBondContact O-N 3.17Å; V402-I411 HydrophobicContact CG1-CD1 4.06Å; I411-V428 HydrophobicContact CG1-CG1 3.82Å; I411-V428 HydrophobicContact CG2-CG2 4.13Å; I411-L444 HydrophobicContact CG2-CD1 3.95Å; I411-L444 HydrophobicContact CG2-CD2 3.99Å; I411-L444 HydrophobicContact CG2-CG 4.18Å; I411-P451 WeakPolarHBondContact O-CG 3.49Å; I411-A453 HydrophobicContact CD1-CB 4.29Å; I411-I460 HydrophobicContact CD1-CG2 3.84Å; I411-T462 HydrophobicContact CG2-CG2 3.98Å; I411-W490 HydrophobicContact CD1-CH2 4.35Å; I411-W490 HydrophobicContact CG2-CH2 4.26Å
412	G	91.8	Very high	85.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.215	C	C	.	.			trans	66.8	-148.3	172.7	0	0	0	0	0	114.3	R396 H399	R396-G412 PolarHBondContact NH1-O 3.36Å; H399-G412 WeakPolarHBondContact CB-O 3.17Å
413	G	87.4	Confident	83.8	Confident	3 Å²	3	42.2 Å²	42.2	3%	0.031	24%	0.239	C	C	.	.			trans	87	-163.9	-179.2	0	0	0	0	0	113.9	T397 M398	T397-G413 CarbonylContact O-C 3.55Å; T397-G413 WeakPolarHBondContact O-CA 3.43Å; M398-G413 WeakPolarHBondContact O-CA 3.31Å
414	R	84.1	Confident	82.6	Confident	10 Å²	10	43.7 Å²	43.7	4%	0.038	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-115.3	150.7	179.5	-56.9	-178.7	67.9	82	-1	110.6	H370 R396 T397 L425 F449 E468	H370-R414 PolarHBondContact ND1-NE 3.35Å; R396-R414 CarbonylContact C-O 3.52Å; R396-R414 VanDerWaalsContact CA-O 3.28Å; R396-R414 WeakPolarHBondContact CA-O 3.39Å; T397-R414 HydrophobicContact CG2-CB 3.94Å; T397-R414 PolarHBondContact N-O 2.89Å; T397-R414 PolarHBondContact O-N 3.14Å; R414-L425 VanDerWaalsContact C-CD1 3.44Å; R414-F449 HydrophobicContact CG-CD1 4.37Å; R414-F449 HydrophobicContact CG-CE1 4.35Å; R414-F449 VanDerWaalsContact NH1-CE1 3.3Å; R414-E468 IonicContact CZ-OE1 3.92Å; R414-E468 VanDerWaalsContact CZ-OE1 3.25Å; R414-E468 IonicContact CZ-OE2 2.84Å; R414-E468 IonicContact NE-OE1 3.02Å; R414-E468 IonicContact NH1-OE1 2.76Å; R414-E468 PolarHBondContact NH1-OE1 3.03Å; R414-E468 IonicContact NH1-OE2 2.88Å; R414-E468 PolarHBondContact NH1-OE2 3.03Å; R414-E468 IonicContact NH2-OE1 3.29Å; R414-E468 IonicContact NH2-OE2 2.86Å
415	T	87.8	Confident	82.1	Confident	18 Å²	18	43.8 Å²	43.8	11%	0.11	25%	0.248	C	C	.	.			trans	-106.4	-173	167.3	-160.4	0	0	0	0	110.7	P395 G417 P423 L425	P395-T415 WeakPolarHBondContact O-CB 3.43Å; P395-T415 PolarHBondContact O-OG1 2.91Å; T415-G417 PolarHBondContact O-N 3.05Å; T415-P423 HydrophobicContact CG2-CG 3.68Å; T415-L425 HydrophobicContact CG2-CD2 4.38Å; T415-L425 HydrophobicContact CG2-CG 4.4Å
416	E	85.6	Confident	82.1	Confident	97 Å²	97	43.8 Å²	43.8	45%	0.453	25%	0.248	S	C	.	.	S	Bend	trans	-59.3	131.6	177.6	-175.3	174.9	-160.4	0	0	111.6	Y369 H370	Y369-E416 HydrophobicContact CE1-CG 4.44Å; Y369-E416 VanDerWaalsContact OH-CG 3.27Å; Y369-E416 WeakPolarHBondContact OH-CG 3.48Å; Y369-E416 PolarHBondContact OH-OE1 3.34Å; H370-E416 VanDerWaalsContact O-CA 3.29Å; H370-E416 WeakPolarHBondContact O-CA 3.48Å
417	G	78.9	Confident	82.2	Confident	12 Å²	12	43.4 Å²	43.4	12%	0.124	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.4	173.3	174.2	0	0	0	0	0	115.2	H370 T415	H370-G417 PolarHBondContact N-O 3.41Å; H370-G417 PolarHBondContact O-N 3.19Å; T415-G417 PolarHBondContact O-N 3.05Å
418	A	70.4	Confident	82.3	Confident	28 Å²	28	39.5 Å²	39.5	23%	0.231	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	154.9	177.3	0	0	0	0	0	112.5	P368 Y369 G420 E421 A422	P368-A418 CarbonylContact O-C 3.45Å; P368-A418 WeakPolarHBondContact O-CA 3.19Å; Y369-A418 HydrophobicContact CD2-CB 4.42Å; A418-G420 PolarHBondContact O-N 2.88Å; A418-E421 HydrophobicContact CB-CB 4.29Å; A418-E421 PolarHBondContact O-N 3.02Å; A418-E421 VanDerWaalsContact O-N 3.12Å; A418-A422 WeakPolarHBondContact O-CB 3.39Å; A418-A422 PolarHBondContact O-N 3.37Å
419	R	66.8	Low	82.3	Confident	92 Å²	92	39.6 Å²	39.6	35%	0.347	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	129.3	175.3	-164	-168.8	-75.7	-164.9	-1.4	109.8	A366 P368 E421 E468	A366-R419 PolarHBondContact O-NH2 2.76Å; P368-R419 PolarHBondContact O-N 2.65Å; R419-E421 PolarHBondContact O-N 3.46Å; R419-E468 WeakPolarHBondContact CG-OE2 3.39Å
420	G	62.3	Low	82.3	Confident	77 Å²	77	41.2 Å²	41.2	79%	0.794	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.3	-11.7	-177.2	0	0	0	0	0	116.3	A418	A418-G420 PolarHBondContact O-N 2.88Å
421	E	62.7	Low	82.3	Confident	166 Å²	166	41.6 Å²	41.6	78%	0.776	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-22.6	177.6	-62.8	-175.8	172.8	0	0	112.9	A418 R419	A418-E421 HydrophobicContact CB-CB 4.29Å; A418-E421 PolarHBondContact O-N 3.02Å; A418-E421 VanDerWaalsContact O-N 3.12Å; R419-E421 PolarHBondContact O-N 3.46Å
422	A	59.3	Low	82.3	Confident	17 Å²	17	43.1 Å²	43.1	14%	0.14	25%	0.245	C	C	.	.	S	Bend	trans	-65	135.3	178.4	0	0	0	0	0	111.1	A418 T424	A418-A422 WeakPolarHBondContact O-CB 3.39Å; A418-A422 PolarHBondContact O-N 3.37Å; A422-T424 PolarHBondContact O-N 3.21Å
423	P	59.2	Low	82.4	Confident	88 Å²	88	43.2 Å²	43.2	57%	0.571	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-63.2	130.9	177.2	26.8	-31.9	0	0	0	109	T415 L425	T415-P423 HydrophobicContact CG2-CG 3.68Å; P423-L425 PolarHBondContact O-N 2.92Å
424	T	70.3	Confident	82.6	Confident	76 Å²	76	46.5 Å²	46.5	47%	0.466	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-67.6	120.6	176.4	62.2	0	0	0	0	109	A422 L426 A447 F449	A422-T424 PolarHBondContact O-N 3.21Å; T424-L426 PolarHBondContact O-N 3.06Å; T424-A447 HydrophobicContact CG2-CB 4.18Å; T424-A447 WeakPolarHBondContact OG1-CB 3.4Å; T424-F449 HydrophobicContact CG2-CZ 4.1Å
425	L	85.3	Confident	83.1	Confident	7 Å²	7	50.1 Å²	50.1	4%	0.037	29%	0.285	C	S	.	.			trans	-70.7	112.6	-176.2	-79.1	171.1	0	0	0	110.4	R396 R414 T415 P423	R396-L425 HydrophobicContact CB-CD1 4.35Å; R396-L425 HydrophobicContact CG-CD1 3.77Å; R414-L425 VanDerWaalsContact C-CD1 3.44Å; T415-L425 HydrophobicContact CG2-CD2 4.38Å; T415-L425 HydrophobicContact CG2-CG 4.4Å; P423-L425 PolarHBondContact O-N 2.92Å
426	L	92.8	Very high	83.5	Confident	66 Å²	66	55.2 Å²	55.2	35%	0.346	31%	0.308	S	S	.	.			trans	-96.3	-29	171.8	-62.9	174.7	0	0	0	110.8	T424 V428 P443 L444 A447	T424-L426 PolarHBondContact O-N 3.06Å; L426-V428 PolarHBondContact O-N 3.36Å; L426-P443 HydrophobicContact CB-CB 4.02Å; L426-P443 CarbonylContact O-C 3.51Å; L426-P443 WeakPolarHBondContact O-CA 3.36Å; L426-P443 WeakPolarHBondContact O-CB 3.46Å; L426-L444 HydrophobicContact CD2-CB 4.45Å; L426-L444 PolarHBondContact O-N 3.05Å; L426-A447 HydrophobicContact CD2-CB 3.64Å; L426-A447 HydrophobicContact CG-CB 4.42Å
427	E	95.3	Very high	84	Confident	72 Å²	72	53 Å²	53	34%	0.336	30%	0.303	S	S	.	.			trans	-60.2	132.1	-176.4	-60.8	95.1	143.1	0	0	110.5	R396	R396-E427 PolarHBondContact NH1-O 2.94Å; R396-E427 PolarHBondContact NH2-O 3.36Å
428	V	97.6	Very high	85	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140	171.3	178	0	0	0	0	107.4	Y409 I411 L426 V441 L444 W490	Y409-V428 HydrophobicContact CD1-CG1 4.47Å; I411-V428 HydrophobicContact CG1-CG1 3.82Å; I411-V428 HydrophobicContact CG2-CG2 4.13Å; L426-V428 PolarHBondContact O-N 3.36Å; V428-V441 HydrophobicContact CB-CG2 3.78Å; V428-V441 HydrophobicContact CG1-CG2 3.56Å; V428-V441 WeakPolarHBondContact O-CG2 3.38Å; V428-V441 PolarHBondContact O-N 3.47Å; V428-L444 HydrophobicContact CG2-CD1 4.32Å; V428-L444 HydrophobicContact CG2-CG 3.77Å; V428-W490 HydrophobicContact CG1-CZ2 4.35Å; V428-W490 HydrophobicContact CG2-CZ2 3.94Å
429	E	98	Very high	86.3	Confident	2 Å²	2	54 Å²	54	1%	0.009	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	153.2	-178.2	58.6	-167.8	128.6	0	0	110.1	L393 R396 Y409 V410 W438 S439	L393-E429 WeakPolarHBondContact CA-OE2 3.4Å; L393-E429 WeakPolarHBondContact CB-OE2 3.34Å; L393-E429 HydrophobicContact CD1-CB 4.48Å; L393-E429 VanDerWaalsContact CG-OE2 3.25Å; L393-E429 WeakPolarHBondContact CG-OE2 3.41Å; L393-E429 PolarHBondContact N-OE2 3.26Å; R396-E429 IonicContact CZ-OE1 3.4Å; R396-E429 VanDerWaalsContact CZ-OE1 3.29Å; R396-E429 IonicContact NE-OE1 2.75Å; R396-E429 PolarHBondContact NE-OE1 2.77Å; R396-E429 IonicContact NH2-OE1 3Å; R396-E429 PolarHBondContact NH2-OE1 3.34Å; Y409-E429 CarbonylContact C-O 3.53Å; Y409-E429 WeakPolarHBondContact CA-O 3.49Å; V410-E429 HydrophobicContact CB-CG 4.3Å; V410-E429 PolarHBondContact N-O 3.46Å; V410-E429 PolarHBondContact O-N 3.17Å; E429-W438 HydrophobicContact CB-CE3 4.1Å; E429-W438 HydrophobicContact CB-CZ3 4.49Å; E429-W438 HydrophobicContact CG-CE3 3.74Å; E429-W438 HydrophobicContact CG-CZ3 3.79Å; E429-S439 CarbonylContact C-O 3.46Å; E429-S439 VanDerWaalsContact CA-O 3.24Å; E429-S439 WeakPolarHBondContact CA-O 3.25Å; E429-S439 WeakPolarHBondContact CB-O 3.49Å
430	Y	98.1	Very high	87.8	Confident	35 Å²	35	53.4 Å²	53.4	14%	0.137	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	150.2	169	72.9	-104.9	0	0	0	111.4	R407 V408 Y409 N432 W438 S439 V441	R407-Y430 HydrophobicContact CB-CD2 3.9Å; R407-Y430 HydrophobicContact CB-CG 4.09Å; R407-Y430 HydrophobicContact CG-CD2 3.73Å; R407-Y430 HydrophobicContact CG-CE2 4.03Å; R407-Y430 HydrophobicContact CG-CG 4.26Å; V408-Y430 CarbonylContact O-C 3.57Å; V408-Y430 WeakPolarHBondContact O-CA 3.27Å; V408-Y430 WeakPolarHBondContact O-CB 3.21Å; Y409-Y430 HydrophobicContact CD1-CD1 4.49Å; Y409-Y430 AromaticContact CE1-CD1 3.79Å; Y409-Y430 HydrophobicContact CE1-CD1 3.79Å; Y409-Y430 HydrophobicContact CE1-CG 4.17Å; Y430-N432 HydrophobicContact CE2-CB 4.35Å; Y430-W438 CarbonylContact O-C 3.58Å; Y430-W438 VanDerWaalsContact O-CA 3.31Å; Y430-W438 WeakPolarHBondContact O-CA 3.29Å; Y430-S439 PolarHBondContact N-O 2.84Å; Y430-S439 PolarHBondContact O-N 3.16Å; Y430-V441 HydrophobicContact CD1-CG1 3.45Å; Y430-V441 VanDerWaalsContact CD1-CG1 3.45Å; Y430-V441 HydrophobicContact CE1-CG1 3.6Å
431	Y	98.4	Very high	89.5	Confident	8 Å²	8	50.4 Å²	50.4	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.7	167.1	-179.2	-118.6	0	0	0	109.7	F348 P390 V408 P433 W438	F348-Y431 HydrophobicContact CD1-CD1 4.38Å; F348-Y431 HydrophobicContact CD1-CE1 4.04Å; F348-Y431 HydrophobicContact CE1-CD1 4.23Å; F348-Y431 AromaticContact CE1-CE1 3.53Å; F348-Y431 HydrophobicContact CE1-CE1 3.53Å; F348-Y431 HydrophobicContact CZ-CE1 4.07Å; P390-Y431 HydrophobicContact CB-CE2 4.35Å; P390-Y431 HydrophobicContact CG-CE2 4.12Å; V408-Y431 PolarHBondContact N-O 3.4Å; V408-Y431 PolarHBondContact O-N 3.42Å; Y431-P433 HydrophobicContact CD1-CB 4.43Å; Y431-P433 HydrophobicContact CD1-CG 3.93Å; Y431-P433 HydrophobicContact CE1-CB 4.01Å; Y431-P433 HydrophobicContact CE1-CG 4.01Å; Y431-P433 WeakPolarHBondContact O-CD 3.43Å; Y431-W438 AromaticContact CD2-CD1 3.85Å; Y431-W438 HydrophobicContact CD2-CD2 4.11Å; Y431-W438 AromaticContact CD2-CE2 3.68Å; Y431-W438 HydrophobicContact CD2-CG 4.2Å; Y431-W438 HydrophobicContact CD2-CZ2 4.14Å; Y431-W438 AromaticContact CD2-NE1 3.51Å; Y431-W438 HydrophobicContact CG-CD2 4.41Å; Y431-W438 AromaticContact CG-CE2 3.94Å; Y431-W438 HydrophobicContact CG-CH2 4.46Å; Y431-W438 AromaticContact CG-CZ2 3.96Å; Y431-W438 HydrophobicContact CG-CZ2 3.96Å
432	N	96.4	Very high	91.2	Very high	31 Å²	31	44.2 Å²	44.2	17%	0.166	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	109.1	166.9	179.8	-27.7	0	0	0	108.5	Y430 L434 T435 Q436 S437	Y430-N432 HydrophobicContact CE2-CB 4.35Å; N432-L434 PolarHBondContact O-N 3.15Å; N432-L434 WeakPolarHBondContact OD1-CA 3.39Å; N432-L434 WeakPolarHBondContact OD1-CB 3.16Å; N432-L434 PolarHBondContact OD1-N 3.38Å; N432-T435 VanDerWaalsContact CB-OG1 3.27Å; N432-T435 WeakPolarHBondContact CB-OG1 3.46Å; N432-T435 PolarHBondContact ND2-OG1 2.81Å; N432-T435 PolarHBondContact O-N 3.34Å; N432-T435 PolarHBondContact OD1-N 3.29Å; N432-T435 VanDerWaalsContact OD1-N 3.11Å; N432-Q436 VanDerWaalsContact O-CA 3.29Å; N432-Q436 WeakPolarHBondContact O-CA 3.39Å; N432-Q436 PolarHBondContact O-N 2.94Å; N432-S437 PolarHBondContact N-O 2.79Å; N432-S437 PolarHBondContact O-N 2.89Å
433	P	94.4	Very high	93	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.013	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26	-179	-25.4	36.9	0	0	0	114.4	L283 Y343 F348 V408 Y431	L283-P433 HydrophobicContact CD1-CB 4Å; L283-P433 WeakPolarHBondContact CD1-O 3.11Å; L283-P433 HydrophobicContact CD2-CB 3.9Å; Y343-P433 HydrophobicContact CD1-CB 4.08Å; Y343-P433 HydrophobicContact CD1-CG 3.86Å; Y343-P433 HydrophobicContact CD2-CG 3.88Å; Y343-P433 HydrophobicContact CE1-CB 4.1Å; Y343-P433 HydrophobicContact CE1-CG 4.07Å; Y343-P433 HydrophobicContact CE2-CG 4.03Å; Y343-P433 HydrophobicContact CG-CB 4.5Å; Y343-P433 HydrophobicContact CG-CG 3.8Å; F348-P433 HydrophobicContact CE2-CB 4.42Å; F348-P433 HydrophobicContact CE2-CG 4.28Å; F348-P433 HydrophobicContact CZ-CB 3.98Å; F348-P433 HydrophobicContact CZ-CG 4.21Å; V408-P433 HydrophobicContact CG2-CG 4.34Å; Y431-P433 HydrophobicContact CD1-CB 4.43Å; Y431-P433 HydrophobicContact CD1-CG 3.93Å; Y431-P433 HydrophobicContact CE1-CB 4.01Å; Y431-P433 HydrophobicContact CE1-CG 4.01Å; Y431-P433 WeakPolarHBondContact O-CD 3.43Å
434	L	91.8	Very high	94.7	Very high	72 Å²	72	42.9 Å²	42.9	38%	0.377	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-45.7	-178.7	-58.7	177.7	0	0	0	111.9	Y280 L283 N432 Q436	Y280-L434 HydrophobicContact CD1-CD1 4.32Å; Y280-L434 HydrophobicContact CD1-CD2 3.32Å; Y280-L434 HydrophobicContact CD1-CG 4.46Å; Y280-L434 HydrophobicContact CE1-CD1 3.65Å; Y280-L434 HydrophobicContact CE1-CD2 3.52Å; Y280-L434 HydrophobicContact CE1-CG 4.22Å; Y280-L434 HydrophobicContact CG-CD2 4.3Å; L283-L434 HydrophobicContact CB-CD2 3.64Å; L283-L434 HydrophobicContact CD1-CD2 4.1Å; N432-L434 PolarHBondContact O-N 3.15Å; N432-L434 WeakPolarHBondContact OD1-CA 3.39Å; N432-L434 WeakPolarHBondContact OD1-CB 3.16Å; N432-L434 PolarHBondContact OD1-N 3.38Å; L434-Q436 VanDerWaalsContact C-N 3.33Å
435	T	94	Very high	95.8	Very high	86 Å²	86	42.7 Å²	42.7	53%	0.528	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.5	177.8	63	0	0	0	0	112.8	N432 S437	N432-T435 VanDerWaalsContact CB-OG1 3.27Å; N432-T435 WeakPolarHBondContact CB-OG1 3.46Å; N432-T435 PolarHBondContact ND2-OG1 2.81Å; N432-T435 PolarHBondContact O-N 3.34Å; N432-T435 PolarHBondContact OD1-N 3.29Å; N432-T435 VanDerWaalsContact OD1-N 3.11Å; T435-S437 VanDerWaalsContact C-N 3.3Å; T435-S437 PolarHBondContact O-N 3Å; T435-S437 PolarHBondContact OG1-OG 2.9Å
436	Q	95.1	Very high	95.9	Very high	126 Å²	126	44.6 Å²	44.6	59%	0.589	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	48.7	-175.7	-56.4	-176.5	6.6	0	0	111.8	P390 N432 L434	P390-Q436 HydrophobicContact CG-CB 4.04Å; P390-Q436 WeakPolarHBondContact CG-O 3.48Å; N432-Q436 VanDerWaalsContact O-CA 3.29Å; N432-Q436 WeakPolarHBondContact O-CA 3.39Å; N432-Q436 PolarHBondContact O-N 2.94Å; L434-Q436 VanDerWaalsContact C-N 3.33Å
437	S	97.4	Very high	95.6	Very high	49 Å²	49	41.9 Å²	41.9	34%	0.343	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.4	-178.6	64.1	0	0	0	0	111.7	N432 T435	N432-S437 PolarHBondContact N-O 2.79Å; N432-S437 PolarHBondContact O-N 2.89Å; T435-S437 VanDerWaalsContact C-N 3.3Å; T435-S437 PolarHBondContact O-N 3Å; T435-S437 PolarHBondContact OG1-OG 2.9Å
438	W	98.6	Very high	95.2	Very high	26 Å²	26	38.5 Å²	38.5	10%	0.098	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	150.5	171.3	-71.6	92.2	0	0	0	111.1	T350 V376 P390 A391 M392 L393 V410 E429 Y430 Y431	T350-W438 HydrophobicContact CG2-CH2 4.35Å; V376-W438 HydrophobicContact CG1-CZ2 4.4Å; V376-W438 HydrophobicContact CG2-CZ2 3.65Å; P390-W438 PolarHBondContact O-NE1 2.93Å; A391-W438 PolarHBondContact O-NE1 2.96Å; M392-W438 HydrophobicContact CB-CZ2 4.48Å; M392-W438 HydrophobicContact CG-CD2 4.4Å; M392-W438 HydrophobicContact CG-CE3 4.48Å; M392-W438 HydrophobicContact CG-CH2 3.62Å; M392-W438 HydrophobicContact CG-CZ2 3.49Å; M392-W438 VanDerWaalsContact CG-CZ2 3.49Å; M392-W438 HydrophobicContact CG-CZ3 4.13Å; M392-W438 HydrophobicContact SD-CH2 4.16Å; L393-W438 HydrophobicContact CD1-CB 4.39Å; L393-W438 HydrophobicContact CD2-CB 4.03Å; L393-W438 HydrophobicContact CG-CB 3.88Å; V410-W438 HydrophobicContact CB-CZ3 4.31Å; V410-W438 HydrophobicContact CG2-CH2 3.6Å; V410-W438 HydrophobicContact CG2-CZ3 3.77Å; E429-W438 HydrophobicContact CB-CE3 4.1Å; E429-W438 HydrophobicContact CB-CZ3 4.49Å; E429-W438 HydrophobicContact CG-CE3 3.74Å; E429-W438 HydrophobicContact CG-CZ3 3.79Å; Y430-W438 CarbonylContact O-C 3.58Å; Y430-W438 VanDerWaalsContact O-CA 3.31Å; Y430-W438 WeakPolarHBondContact O-CA 3.29Å; Y431-W438 AromaticContact CD2-CD1 3.85Å; Y431-W438 HydrophobicContact CD2-CD2 4.11Å; Y431-W438 AromaticContact CD2-CE2 3.68Å; Y431-W438 HydrophobicContact CD2-CG 4.2Å; Y431-W438 HydrophobicContact CD2-CZ2 4.14Å; Y431-W438 AromaticContact CD2-NE1 3.51Å; Y431-W438 HydrophobicContact CG-CD2 4.41Å; Y431-W438 AromaticContact CG-CE2 3.94Å; Y431-W438 HydrophobicContact CG-CH2 4.46Å; Y431-W438 AromaticContact CG-CZ2 3.96Å; Y431-W438 HydrophobicContact CG-CZ2 3.96Å
439	S	98.4	Very high	94.4	Very high	37 Å²	37	39.8 Å²	39.8	26%	0.259	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	135	175.2	-63.7	0	0	0	0	109.7	E429 Y430	E429-S439 CarbonylContact C-O 3.46Å; E429-S439 VanDerWaalsContact CA-O 3.24Å; E429-S439 WeakPolarHBondContact CA-O 3.25Å; E429-S439 WeakPolarHBondContact CB-O 3.49Å; Y430-S439 PolarHBondContact N-O 2.84Å; Y430-S439 PolarHBondContact O-N 3.16Å
440	S	98.1	Very high	93.6	Very high	79 Å²	79	41.5 Å²	41.5	55%	0.552	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	143.6	170.4	-169.1	0	0	0	0	109.6
441	V	98.3	Very high	93.2	Very high	13 Å²	13	40.3 Å²	40.3	8%	0.079	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	-175.5	168.6	-66	0	0	0	0	109.7	Y409 V428 Y430 Y483	Y409-V441 HydrophobicContact CE1-CG1 4.37Å; Y409-V441 HydrophobicContact CE1-CG2 4.4Å; V428-V441 HydrophobicContact CB-CG2 3.78Å; V428-V441 HydrophobicContact CG1-CG2 3.56Å; V428-V441 WeakPolarHBondContact O-CG2 3.38Å; V428-V441 PolarHBondContact O-N 3.47Å; Y430-V441 HydrophobicContact CD1-CG1 3.45Å; Y430-V441 VanDerWaalsContact CD1-CG1 3.45Å; Y430-V441 HydrophobicContact CE1-CG1 3.6Å; V441-Y483 WeakPolarHBondContact CB-OH 3.48Å
442	S	97.9	Very high	92.8	Very high	37 Å²	37	40.8 Å²	40.8	26%	0.259	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-52.5	130.9	174.9	-68.4	0	0	0	0	110.5	D488 W490	S442-D488 WeakPolarHBondContact CA-OD1 3.29Å; S442-D488 WeakPolarHBondContact CB-OD1 3.39Å; S442-D488 PolarHBondContact N-OD1 2.96Å; S442-D488 PolarHBondContact N-OD2 2.87Å; S442-D488 VanDerWaalsContact OG-CG 3.3Å; S442-D488 PolarHBondContact OG-O 2.63Å; S442-D488 PolarHBondContact OG-OD1 3.03Å; S442-W490 PolarHBondContact O-NE1 3.46Å
443	P	96.9	Very high	92.8	Very high	73 Å²	73	39.7 Å²	39.7	47%	0.474	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-69.9	158	179.2	30.3	-35.1	0	0	0	110.9	L426 W490	L426-P443 HydrophobicContact CB-CB 4.02Å; L426-P443 CarbonylContact O-C 3.51Å; L426-P443 WeakPolarHBondContact O-CA 3.36Å; L426-P443 WeakPolarHBondContact O-CB 3.46Å; P443-W490 PolarHBondContact O-NE1 3.03Å
444	L	95.3	Very high	92.8	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-52.4	139.5	169.3	-77.7	164.8	0	0	0	110.4	I411 L426 V428 T446 I448 F481 W490	I411-L444 HydrophobicContact CG2-CD1 3.95Å; I411-L444 HydrophobicContact CG2-CD2 3.99Å; I411-L444 HydrophobicContact CG2-CG 4.18Å; L426-L444 HydrophobicContact CD2-CB 4.45Å; L426-L444 PolarHBondContact O-N 3.05Å; V428-L444 HydrophobicContact CG2-CD1 4.32Å; V428-L444 HydrophobicContact CG2-CG 3.77Å; L444-T446 WeakPolarHBondContact CB-O 3.23Å; L444-T446 PolarHBondContact O-N 3.24Å; L444-I448 HydrophobicContact CD1-CD1 4.25Å; L444-I448 HydrophobicContact CD1-CG1 3.92Å; L444-I448 HydrophobicContact CD2-CD1 4.31Å; L444-F481 HydrophobicContact CD2-CD2 4.08Å; L444-F481 HydrophobicContact CD2-CE2 4.45Å; L444-W490 HydrophobicContact CD2-CD2 4.44Å; L444-W490 HydrophobicContact CD2-CE3 4.26Å; L444-W490 HydrophobicContact CD2-CH2 3.68Å; L444-W490 HydrophobicContact CD2-CZ2 3.91Å; L444-W490 HydrophobicContact CD2-CZ3 3.86Å; L444-W490 HydrophobicContact CG-CZ2 4.46Å
445	P	92.9	Very high	93	Very high	71 Å²	71	38 Å²	38	46%	0.461	23%	0.229	S	C	.	.	S	Bend	trans	-61.9	-30.2	175.7	-24.5	34.7	0	0	0	113.2	F481 W490	P445-F481 HydrophobicContact CB-CE1 3.95Å; P445-F481 HydrophobicContact CB-CZ 4.32Å; P445-F481 HydrophobicContact CG-CD1 4.05Å; P445-F481 HydrophobicContact CG-CE1 3.82Å; P445-F481 HydrophobicContact CG-CZ 4.43Å; P445-W490 HydrophobicContact CG-CB 3.6Å; P445-W490 HydrophobicContact CG-CG 4.2Å
446	T	89.1	Confident	93	Very high	48 Å²	48	34.3 Å²	34.3	29%	0.294	21%	0.207	S	C	.	.	S	Bend	trans	-149.3	142.7	177	-53	0	0	0	0	107.3	L444 E466	L444-T446 WeakPolarHBondContact CB-O 3.23Å; L444-T446 PolarHBondContact O-N 3.24Å; T446-E466 HydrophobicContact CG2-CG 4.02Å
447	A	86.7	Confident	92.8	Very high	8 Å²	8	30.8 Å²	30.8	7%	0.066	20%	0.204	C	C	.	.			trans	-72.5	145.7	-179.1	0	0	0	0	0	110.5	T424 L426	T424-A447 HydrophobicContact CG2-CB 4.18Å; T424-A447 WeakPolarHBondContact OG1-CB 3.4Å; L426-A447 HydrophobicContact CD2-CB 3.64Å; L426-A447 HydrophobicContact CG-CB 4.42Å
448	I	86.6	Confident	92.6	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	20%	0.201	C	C	.	.			trans	-131.8	140.6	-175.3	57.4	176.7	0	0	0	110.7	L444 P451 T462 S465 C479 F481	L444-I448 HydrophobicContact CD1-CD1 4.25Å; L444-I448 HydrophobicContact CD1-CG1 3.92Å; L444-I448 HydrophobicContact CD2-CD1 4.31Å; I448-P451 HydrophobicContact CD1-CB 3.8Å; I448-P451 HydrophobicContact CG1-CB 4.1Å; I448-T462 HydrophobicContact CD1-CG2 3.55Å; I448-S465 CarbonylContact C-O 3.52Å; I448-S465 VanDerWaalsContact CA-O 3.3Å; I448-S465 WeakPolarHBondContact CA-O 3.42Å; I448-C479 HydrophobicContact CG2-CB 3.7Å; I448-F481 HydrophobicContact CG2-CD2 4.48Å; I448-F481 HydrophobicContact CG2-CE2 3.78Å
449	F	80.8	Confident	92.5	Very high	26 Å²	26	29.7 Å²	29.7	11%	0.114	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	150.3	172.2	-59.8	-78.3	0	0	0	110	R414 T424 P451 G464 S465 V467 E468	R414-F449 HydrophobicContact CG-CD1 4.37Å; R414-F449 HydrophobicContact CG-CE1 4.35Å; R414-F449 VanDerWaalsContact NH1-CE1 3.3Å; T424-F449 HydrophobicContact CG2-CZ 4.1Å; F449-P451 VanDerWaalsContact C-N 3.34Å; F449-G464 WeakPolarHBondContact O-CA 3.28Å; F449-S465 WeakPolarHBondContact CD2-O 3.48Å; F449-S465 PolarHBondContact N-O 3.18Å; F449-S465 PolarHBondContact O-N 2.91Å; F449-V467 VanDerWaalsContact CD2-C 3.46Å; F449-E468 HydrophobicContact CD1-CB 3.89Å; F449-E468 HydrophobicContact CD1-CG 4.09Å; F449-E468 HydrophobicContact CD2-CB 3.95Å; F449-E468 VanDerWaalsContact CD2-N 3.26Å; F449-E468 HydrophobicContact CE1-CB 4.02Å; F449-E468 HydrophobicContact CE1-CG 4.38Å; F449-E468 HydrophobicContact CE2-CB 4.06Å; F449-E468 HydrophobicContact CG-CB 3.85Å; F449-E468 HydrophobicContact CG-CG 4.38Å; F449-E468 HydrophobicContact CZ-CB 4.08Å
450	Y	81.2	Confident	92.5	Very high	39 Å²	39	27.9 Å²	27.9	15%	0.153	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48.7	53.3	-176.5	-47.4	-70.8	0	0	0	112.1	I361 M398 E468 T504	I361-Y450 HydrophobicContact CD1-CD1 4.19Å; I361-Y450 HydrophobicContact CD1-CE1 4.11Å; I361-Y450 HydrophobicContact CG2-CD1 3.97Å; I361-Y450 HydrophobicContact CG2-CE1 3.38Å; M398-Y450 HydrophobicContact SD-CE1 4.1Å; Y450-E468 WeakPolarHBondContact CE2-O 3.41Å; Y450-T504 HydrophobicContact CD1-CG2 4.42Å; Y450-T504 HydrophobicContact CD2-CG2 3.3Å; Y450-T504 HydrophobicContact CE2-CG2 3.94Å; Y450-T504 HydrophobicContact CG-CG2 3.56Å
451	P	89.2	Confident	92.4	Very high	9 Å²	9	24.2 Å²	24.2	6%	0.058	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	141.1	-177.8	31.3	-36	0	0	0	110.1	M398 T400 I411 I448 F449 T462 L463	M398-P451 VanDerWaalsContact O-CD 3.26Å; M398-P451 WeakPolarHBondContact O-CD 3.46Å; T400-P451 WeakPolarHBondContact CB-O 3.16Å; T400-P451 HydrophobicContact CG2-CB 3.75Å; T400-P451 HydrophobicContact CG2-CG 3.97Å; I411-P451 WeakPolarHBondContact O-CG 3.49Å; I448-P451 HydrophobicContact CD1-CB 3.8Å; I448-P451 HydrophobicContact CG1-CB 4.1Å; F449-P451 VanDerWaalsContact C-N 3.34Å; P451-T462 HydrophobicContact CB-CG2 4.32Å; P451-L463 CarbonylContact C-O 3.56Å; P451-L463 WeakPolarHBondContact CA-O 3.09Å
452	E	90.8	Very high	92.1	Very high	19 Å²	19	23.6 Å²	23.6	9%	0.089	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.5	170.2	-178.6	77.1	-170.1	0	0	107	T462 L463 K507 A508	E452-T462 CarbonylContact O-C 3.47Å; E452-T462 VanDerWaalsContact O-CA 3.3Å; E452-T462 WeakPolarHBondContact O-CA 3.24Å; E452-L463 PolarHBondContact N-O 3.33Å; E452-L463 PolarHBondContact O-N 3.35Å; E452-K507 WeakPolarHBondContact OE1-CD 3.49Å; E452-K507 IonicContact OE1-NZ 3.29Å; E452-K507 IonicContact OE2-NZ 3.25Å; E452-K507 PolarHBondContact OE2-NZ 2.9Å; E452-A508 HydrophobicContact CG-CB 3.75Å; E452-A508 PolarHBondContact OE1-N 2.83Å
453	A	94.7	Very high	91.8	Very high	7 Å²	7	22.4 Å²	22.4	6%	0.058	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	145	-177.1	0	0	0	0	0	112.9	T400 V402 I411 I460 Y461 T462	T400-A453 HydrophobicContact CG2-CB 3.59Å; V402-A453 HydrophobicContact CB-CB 4.17Å; V402-A453 HydrophobicContact CG1-CB 3.98Å; I411-A453 HydrophobicContact CD1-CB 4.29Å; A453-I460 HydrophobicContact CB-CG2 4.35Å; A453-Y461 CarbonylContact C-O 3.58Å; A453-Y461 WeakPolarHBondContact CA-O 3.47Å; A453-T462 HydrophobicContact CB-CG2 4.29Å
454	S	95.7	Very high	91.3	Very high	14 Å²	14	18.9 Å²	18.9	10%	0.098	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	138.1	174.4	-154.4	0	0	0	0	110.6	Y461 A508 V509 S510	S454-Y461 PolarHBondContact N-O 3.39Å; S454-Y461 PolarHBondContact O-N 2.85Å; S454-A508 WeakPolarHBondContact CB-O 3.42Å; S454-A508 PolarHBondContact OG-O 3.48Å; S454-V509 WeakPolarHBondContact OG-CA 3.37Å; S454-S510 PolarHBondContact OG-N 3.22Å
455	A	95.4	Very high	90.5	Very high	26 Å²	26	19.4 Å²	19.4	22%	0.215	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130	173.1	0	0	0	0	0	109.8	V402 T403 C404 V459 S510	V402-A455 HydrophobicContact CG2-CB 3.89Å; T403-A455 VanDerWaalsContact O-CB 3.26Å; T403-A455 WeakPolarHBondContact O-CB 3.15Å; C404-A455 HydrophobicContact CB-CB 4.04Å; A455-V459 WeakPolarHBondContact CA-O 3.47Å; A455-S510 WeakPolarHBondContact O-CB 3.48Å; A455-S510 PolarHBondContact O-OG 2.05Å
456	C	94.3	Very high	89.8	Confident	8 Å²	8	19.3 Å²	19.3	5%	0.054	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	100.8	174.1	-175	0	0	0	0	108.6	S458 V459 Y461 S510 N513	C456-S458 PolarHBondContact O-N 3.25Å; C456-V459 PolarHBondContact N-O 3.01Å; C456-V459 PolarHBondContact O-N 3.11Å; C456-Y461 HydrophobicContact CB-CD2 3.97Å; C456-Y461 HydrophobicContact CB-CE2 3.88Å; C456-S510 PolarHBondContact SG-OG 3.31Å; C456-N513 PolarHBondContact SG-O 2.7Å
457	G	90.9	Very high	89	Confident	52 Å²	52	19.6 Å²	19.6	54%	0.536	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	-126.7	-167.8	0	0	0	0	0	111.3	V459	G457-V459 VanDerWaalsContact C-N 3.31Å
458	S	93	Very high	88	Confident	40 Å²	40	20.3 Å²	20.3	28%	0.28	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	9.2	178.6	61.3	0	0	0	0	114.2	C456 A485	C456-S458 PolarHBondContact O-N 3.25Å; S458-A485 WeakPolarHBondContact O-CB 3.28Å; S458-A485 PolarHBondContact O-N 2.74Å
459	V	96.5	Very high	86.8	Confident	11 Å²	11	22.7 Å²	22.7	7%	0.067	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.9	-171.2	-170.2	0	0	0	0	109.5	A455 C456 G457 Y461 R482 Y483 E484	A455-V459 WeakPolarHBondContact CA-O 3.47Å; C456-V459 PolarHBondContact N-O 3.01Å; C456-V459 PolarHBondContact O-N 3.11Å; G457-V459 VanDerWaalsContact C-N 3.31Å; V459-Y461 HydrophobicContact CB-CE2 3.9Å; V459-Y461 HydrophobicContact CG1-CD2 4.29Å; V459-Y461 HydrophobicContact CG1-CE1 4.38Å; V459-Y461 HydrophobicContact CG1-CE2 3.67Å; V459-R482 HydrophobicContact CG1-CG 3.42Å; V459-R482 VanDerWaalsContact CG1-CG 3.42Å; V459-Y483 WeakPolarHBondContact CA-O 3.16Å; V459-Y483 WeakPolarHBondContact CG1-O 3.38Å; V459-E484 VanDerWaalsContact CG2-OE2 3.29Å; V459-E484 WeakPolarHBondContact CG2-OE2 3.46Å
460	I	97.8	Very high	85.5	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.6	173.6	-57.2	173.8	0	0	0	108.2	V402 C404 Y409 I411 A453 R482 Y483	V402-I460 HydrophobicContact CG1-CD1 4.02Å; V402-I460 HydrophobicContact CG1-CG1 4.34Å; V402-I460 HydrophobicContact CG1-CG2 3.72Å; C404-I460 HydrophobicContact CB-CD1 3.75Å; C404-I460 HydrophobicContact CB-CG1 3.64Å; Y409-I460 HydrophobicContact CD1-CD1 3.99Å; Y409-I460 HydrophobicContact CD2-CD1 3.44Å; Y409-I460 VanDerWaalsContact CD2-CD1 3.44Å; Y409-I460 HydrophobicContact CE1-CD1 4.37Å; Y409-I460 HydrophobicContact CE2-CD1 3.85Å; Y409-I460 HydrophobicContact CG-CD1 3.51Å; I411-I460 HydrophobicContact CD1-CG2 3.84Å; A453-I460 HydrophobicContact CB-CG2 4.35Å; I460-R482 CarbonylContact O-C 3.57Å; I460-Y483 HydrophobicContact CB-CD1 4.36Å; I460-Y483 HydrophobicContact CD1-CD1 3.95Å; I460-Y483 HydrophobicContact CD1-CE1 4.46Å; I460-Y483 HydrophobicContact CG1-CD1 4.39Å; I460-Y483 PolarHBondContact N-O 3.05Å; I460-Y483 PolarHBondContact O-N 2.82Å
461	Y	95.6	Very high	83.9	Confident	1 Å²	1	29.9 Å²	29.9	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.1	171.8	-69.8	-82.9	0	0	0	108.4	A453 S454 C456 V459 F480 F481 R482 L493 L515 F528 P530	A453-Y461 CarbonylContact C-O 3.58Å; A453-Y461 WeakPolarHBondContact CA-O 3.47Å; S454-Y461 PolarHBondContact N-O 3.39Å; S454-Y461 PolarHBondContact O-N 2.85Å; C456-Y461 HydrophobicContact CB-CD2 3.97Å; C456-Y461 HydrophobicContact CB-CE2 3.88Å; V459-Y461 HydrophobicContact CB-CE2 3.9Å; V459-Y461 HydrophobicContact CG1-CD2 4.29Å; V459-Y461 HydrophobicContact CG1-CE1 4.38Å; V459-Y461 HydrophobicContact CG1-CE2 3.67Å; Y461-F480 AromaticContact CD1-CE2 3.78Å; Y461-F480 HydrophobicContact CD1-CE2 3.78Å; Y461-F480 AromaticContact CD1-CZ 3.59Å; Y461-F480 HydrophobicContact CD1-CZ 3.59Å; Y461-F480 HydrophobicContact CE1-CZ 4.26Å; Y461-F480 HydrophobicContact CG-CE2 4.33Å; Y461-F480 HydrophobicContact CG-CZ 4.39Å; Y461-F481 WeakPolarHBondContact CA-O 3.26Å; Y461-R482 HydrophobicContact CD1-CB 4.2Å; Y461-R482 HydrophobicContact CD1-CG 4.32Å; Y461-R482 HydrophobicContact CE1-CB 3.94Å; Y461-R482 HydrophobicContact CE1-CG 3.69Å; Y461-R482 PolarHBondContact OH-NE 3.05Å; Y461-L493 HydrophobicContact CD1-CD1 4.17Å; Y461-L493 HydrophobicContact CE1-CD1 3.79Å; Y461-L515 HydrophobicContact CD1-CD2 4.04Å; Y461-L515 HydrophobicContact CD2-CD2 4.14Å; Y461-L515 HydrophobicContact CG-CD2 3.67Å; Y461-F528 HydrophobicContact CD1-CE1 4.31Å; Y461-F528 HydrophobicContact CE1-CD1 4.17Å; Y461-F528 AromaticContact CE1-CE1 3.52Å; Y461-F528 HydrophobicContact CE1-CE1 3.52Å; Y461-F528 HydrophobicContact CE1-CZ 4.44Å; Y461-F528 AromaticContact CZ-CE1 3.82Å; Y461-P530 HydrophobicContact CE2-CG 4.41Å; Y461-P530 WeakPolarHBondContact OH-CB 3.39Å
462	T	93.9	Very high	82.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.1	-178.6	-54.4	0	0	0	0	110.3	I411 I448 P451 E452 A453 F481	I411-T462 HydrophobicContact CG2-CG2 3.98Å; I448-T462 HydrophobicContact CD1-CG2 3.55Å; P451-T462 HydrophobicContact CB-CG2 4.32Å; E452-T462 CarbonylContact O-C 3.47Å; E452-T462 VanDerWaalsContact O-CA 3.3Å; E452-T462 WeakPolarHBondContact O-CA 3.24Å; A453-T462 HydrophobicContact CB-CG2 4.29Å; T462-F481 PolarHBondContact N-O 3.45Å; T462-F481 PolarHBondContact O-N 2.88Å
463	L	89.6	Confident	80.4	Confident	12 Å²	12	37.7 Å²	37.7	6%	0.063	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	154.4	175.8	-61.9	96.5	0	0	0	109.4	P451 E452 C479 F480 A508 L517	P451-L463 CarbonylContact C-O 3.56Å; P451-L463 WeakPolarHBondContact CA-O 3.09Å; E452-L463 PolarHBondContact N-O 3.33Å; E452-L463 PolarHBondContact O-N 3.35Å; L463-C479 VanDerWaalsContact CA-O 3.28Å; L463-C479 WeakPolarHBondContact CA-O 3.43Å; L463-F480 HydrophobicContact CD1-CD2 4Å; L463-F480 HydrophobicContact CD1-CE2 3.99Å; L463-F480 HydrophobicContact CD2-CD2 3.94Å; L463-F480 HydrophobicContact CD2-CE2 4.44Å; L463-F480 HydrophobicContact CD2-CG 4.45Å; L463-F480 HydrophobicContact CG-CD2 3.66Å; L463-F480 HydrophobicContact CG-CE2 4.17Å; L463-A508 HydrophobicContact CD1-CB 4.15Å; L463-L517 HydrophobicContact CD1-CD1 4.48Å; L463-L517 HydrophobicContact CD1-CD2 3.67Å; L463-L517 HydrophobicContact CD2-CD1 3.5Å; L463-L517 VanDerWaalsContact CD2-CD1 3.5Å; L463-L517 HydrophobicContact CD2-CD2 4.17Å
464	G	86.4	Confident	78.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.2	172.8	176.6	0	0	0	0	0	110.7	F449 C479 A503	F449-G464 WeakPolarHBondContact O-CA 3.28Å; G464-C479 PolarHBondContact N-O 2.99Å; G464-C479 PolarHBondContact O-N 2.87Å; G464-A503 VanDerWaalsContact C-CB 3.47Å
465	S	80.4	Confident	77	Confident	15 Å²	15	40.8 Å²	40.8	11%	0.105	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	138.6	179.3	172.8	0	0	0	0	111.3	I448 F449 V467	I448-S465 CarbonylContact C-O 3.52Å; I448-S465 VanDerWaalsContact CA-O 3.3Å; I448-S465 WeakPolarHBondContact CA-O 3.42Å; F449-S465 WeakPolarHBondContact CD2-O 3.48Å; F449-S465 PolarHBondContact N-O 3.18Å; F449-S465 PolarHBondContact O-N 2.91Å; S465-V467 WeakPolarHBondContact CB-O 3.24Å; S465-V467 PolarHBondContact O-N 3.25Å; S465-V467 PolarHBondContact OG-N 3.23Å; S465-V467 VanDerWaalsContact OG-N 3.09Å; S465-V467 PolarHBondContact OG-O 3.34Å
466	E	76.8	Confident	75.4	Confident	68 Å²	68	43 Å²	43	32%	0.318	26%	0.258	S	S	.	.	S	Bend	trans	-67.2	-14.7	171.1	-66.8	-175.5	-170.2	0	0	112.9	T446 L477 C479 R492	T446-E466 HydrophobicContact CG2-CG 4.02Å; E466-L477 PolarHBondContact N-O 3.18Å; E466-C479 WeakPolarHBondContact CG-SG 3.27Å; E466-C479 PolarHBondContact OE1-SG 3.12Å; E466-R492 IonicContact OE1-CZ 3.87Å; E466-R492 VanDerWaalsContact OE1-CZ 3.29Å; E466-R492 IonicContact OE1-NH1 2.65Å; E466-R492 PolarHBondContact OE1-NH1 3.03Å; E466-R492 IonicContact OE1-NH2 3.25Å; E466-R492 PolarHBondContact OE1-NH2 2.87Å
467	V	72.3	Confident	73.8	Confident	54 Å²	54	44.2 Å²	44.2	33%	0.327	26%	0.264	S	S	.	.			trans	-127.7	134.3	-177.2	-173.2	0	0	0	0	110.9	F449 S465 V469 T470 L477	F449-V467 VanDerWaalsContact CD2-C 3.46Å; S465-V467 WeakPolarHBondContact CB-O 3.24Å; S465-V467 PolarHBondContact O-N 3.25Å; S465-V467 PolarHBondContact OG-N 3.23Å; S465-V467 VanDerWaalsContact OG-N 3.09Å; S465-V467 PolarHBondContact OG-O 3.34Å; V467-V469 WeakPolarHBondContact CG1-O 3.28Å; V467-T470 HydrophobicContact CB-CG2 4.13Å; V467-T470 HydrophobicContact CG1-CG2 3.7Å; V467-L477 HydrophobicContact CB-CD1 4.09Å; V467-L477 HydrophobicContact CG2-CD1 3.74Å; V467-L477 HydrophobicContact CG2-CD2 4.16Å; V467-L477 HydrophobicContact CG2-CG 4.42Å
468	E	65.4	Low	73	Confident	23 Å²	23	43.6 Å²	43.6	11%	0.107	25%	0.248	C	C	.	.	S	Bend	trans	-71	-41.8	-179	-173.3	-172.3	-172.5	0	0	112.8	R414 R419 F449 Y450	R414-E468 IonicContact CZ-OE1 3.92Å; R414-E468 VanDerWaalsContact CZ-OE1 3.25Å; R414-E468 IonicContact CZ-OE2 2.84Å; R414-E468 IonicContact NE-OE1 3.02Å; R414-E468 IonicContact NH1-OE1 2.76Å; R414-E468 PolarHBondContact NH1-OE1 3.03Å; R414-E468 IonicContact NH1-OE2 2.88Å; R414-E468 PolarHBondContact NH1-OE2 3.03Å; R414-E468 IonicContact NH2-OE1 3.29Å; R414-E468 IonicContact NH2-OE2 2.86Å; R419-E468 WeakPolarHBondContact CG-OE2 3.39Å; F449-E468 HydrophobicContact CD1-CB 3.89Å; F449-E468 HydrophobicContact CD1-CG 4.09Å; F449-E468 HydrophobicContact CD2-CB 3.95Å; F449-E468 VanDerWaalsContact CD2-N 3.26Å; F449-E468 HydrophobicContact CE1-CB 4.02Å; F449-E468 HydrophobicContact CE1-CG 4.38Å; F449-E468 HydrophobicContact CE2-CB 4.06Å; F449-E468 HydrophobicContact CG-CB 3.85Å; F449-E468 HydrophobicContact CG-CG 4.38Å; F449-E468 HydrophobicContact CZ-CB 4.08Å; Y450-E468 WeakPolarHBondContact CE2-O 3.41Å
469	V	62.5	Low	72.5	Confident	52 Å²	52	41.7 Å²	41.7	32%	0.315	24%	0.235	S	C	.	.			trans	-141.3	131.2	-178.6	-175.7	0	0	0	0	109.2	V467	V467-V469 WeakPolarHBondContact CG1-O 3.28Å
470	T	52.9	Low	72.2	Confident	49 Å²	49	41.6 Å²	41.6	30%	0.301	23%	0.233	S	C	.	.			trans	-130.2	137	164.1	59.2	0	0	0	0	108.8	V467 S472 L477	V467-T470 HydrophobicContact CB-CG2 4.13Å; V467-T470 HydrophobicContact CG1-CG2 3.7Å; T470-S472 WeakPolarHBondContact CB-O 3.24Å; T470-S472 PolarHBondContact O-N 2.85Å; T470-S472 VanDerWaalsContact O-N 3.12Å; T470-S472 PolarHBondContact OG1-O 3.45Å; T470-L477 HydrophobicContact CG2-CD1 3.89Å
471	D	48.4	Very low	71.9	Confident	167 Å²	167	41.6 Å²	41.6	89%	0.893	23%	0.233	S	C	*	.	S	Bend	trans	-67.7	-4	171.6	-67.5	-30.3	0	0	0	112.1
472	S	50.4	Low	71.9	Confident	81 Å²	81	44.5 Å²	44.5	57%	0.566	24%	0.244	S	C	*	.	S	Bend	trans	-142.5	117.8	-176	59.5	0	0	0	0	110.8	T470 N474	T470-S472 WeakPolarHBondContact CB-O 3.24Å; T470-S472 PolarHBondContact O-N 2.85Å; T470-S472 VanDerWaalsContact O-N 3.12Å; T470-S472 PolarHBondContact OG1-O 3.45Å; S472-N474 PolarHBondContact O-N 3.07Å; S472-N474 VanDerWaalsContact O-N 3.12Å
473	F	56.3	Low	72.1	Confident	111 Å²	111	44.6 Å²	44.6	49%	0.487	25%	0.245	S	C	.	.			trans	-42.2	114.9	170.9	174.4	-102.6	0	0	0	111.5	P475 F500 H502	F473-P475 HydrophobicContact CD1-CG 3.85Å; F473-P475 HydrophobicContact CD2-CG 4.27Å; F473-P475 HydrophobicContact CE1-CG 3.22Å; F473-P475 HydrophobicContact CE2-CG 3.69Å; F473-P475 HydrophobicContact CG-CG 4.35Å; F473-P475 HydrophobicContact CZ-CB 4.5Å; F473-P475 HydrophobicContact CZ-CG 3.15Å; F473-F500 HydrophobicContact CE1-CD1 4.01Å; F473-F500 HydrophobicContact CZ-CD1 4.29Å; F473-F500 WeakPolarHBondContact CZ-O 3.46Å; F473-H502 AromaticContact CD2-CD2 3.93Å; F473-H502 HydrophobicContact CE2-CB 4.14Å
474	N	58.9	Low	72.5	Confident	69 Å²	69	45.7 Å²	45.7	37%	0.369	25%	0.25	S	C	.	.			trans	-137.8	90.6	176.2	-171.1	7	0	0	0	112.4	S472 S476 L477	S472-N474 PolarHBondContact O-N 3.07Å; S472-N474 VanDerWaalsContact O-N 3.12Å; N474-S476 VanDerWaalsContact CG-OG 3.3Å; N474-S476 PolarHBondContact ND2-OG 2.9Å; N474-S476 PolarHBondContact O-N 3.06Å; N474-S476 VanDerWaalsContact O-N 3.1Å; N474-S476 VanDerWaalsContact OD1-CB 3.25Å; N474-S476 WeakPolarHBondContact OD1-CB 3.43Å; N474-S476 PolarHBondContact OD1-N 3.39Å; N474-S476 VanDerWaalsContact OD1-N 3.08Å; N474-S476 PolarHBondContact OD1-OG 3.45Å; N474-L477 HydrophobicContact CB-CD1 3.94Å; N474-L477 HydrophobicContact CB-CG 4.22Å; N474-L477 WeakPolarHBondContact O-CB 3.47Å; N474-L477 WeakPolarHBondContact O-CG 3.34Å; N474-L477 PolarHBondContact O-N 2.92Å; N474-L477 VanDerWaalsContact O-N 3.08Å
475	P	60	Low	72.9	Confident	17 Å²	17	46 Å²	46	11%	0.11	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-68.5	-6.6	178.5	-25.1	39.8	0	0	0	114.2	F473 L477 D478 Q499 F501	F473-P475 HydrophobicContact CD1-CG 3.85Å; F473-P475 HydrophobicContact CD2-CG 4.27Å; F473-P475 HydrophobicContact CE1-CG 3.22Å; F473-P475 HydrophobicContact CE2-CG 3.69Å; F473-P475 HydrophobicContact CG-CG 4.35Å; F473-P475 HydrophobicContact CZ-CB 4.5Å; F473-P475 HydrophobicContact CZ-CG 3.15Å; P475-L477 PolarHBondContact O-N 3.22Å; P475-D478 PolarHBondContact O-N 3.17Å; P475-Q499 HydrophobicContact CB-CB 4.26Å; P475-Q499 WeakPolarHBondContact CB-O 3.22Å; P475-Q499 WeakPolarHBondContact CG-O 3.47Å; P475-F501 WeakPolarHBondContact CB-O 3.41Å
476	S	60.3	Low	73.6	Confident	74 Å²	74	51.6 Å²	51.6	52%	0.517	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-67.8	-9.6	169.4	86.5	0	0	0	0	112.5	N474	N474-S476 VanDerWaalsContact CG-OG 3.3Å; N474-S476 PolarHBondContact ND2-OG 2.9Å; N474-S476 PolarHBondContact O-N 3.06Å; N474-S476 VanDerWaalsContact O-N 3.1Å; N474-S476 VanDerWaalsContact OD1-CB 3.25Å; N474-S476 WeakPolarHBondContact OD1-CB 3.43Å; N474-S476 PolarHBondContact OD1-N 3.39Å; N474-S476 VanDerWaalsContact OD1-N 3.08Å; N474-S476 PolarHBondContact OD1-OG 3.45Å
477	L	61	Low	74.6	Confident	33 Å²	33	53.1 Å²	53.1	17%	0.173	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-94	-5.6	178.2	-58.6	173.6	0	0	0	112.7	E466 V467 T470 N474 P475 C479	E466-L477 PolarHBondContact N-O 3.18Å; V467-L477 HydrophobicContact CB-CD1 4.09Å; V467-L477 HydrophobicContact CG2-CD1 3.74Å; V467-L477 HydrophobicContact CG2-CD2 4.16Å; V467-L477 HydrophobicContact CG2-CG 4.42Å; T470-L477 HydrophobicContact CG2-CD1 3.89Å; N474-L477 HydrophobicContact CB-CD1 3.94Å; N474-L477 HydrophobicContact CB-CG 4.22Å; N474-L477 WeakPolarHBondContact O-CB 3.47Å; N474-L477 WeakPolarHBondContact O-CG 3.34Å; N474-L477 PolarHBondContact O-N 2.92Å; N474-L477 VanDerWaalsContact O-N 3.08Å; P475-L477 PolarHBondContact O-N 3.22Å; L477-C479 PolarHBondContact O-N 2.89Å
478	D	73.7	Confident	75.7	Confident	38 Å²	38	53.3 Å²	53.3	20%	0.203	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.9	178.5	-79.2	9.2	0	0	0	110.4	P475 F501 A503	P475-D478 PolarHBondContact O-N 3.17Å; D478-F501 VanDerWaalsContact OD2-CB 3.24Å; D478-F501 WeakPolarHBondContact OD2-CB 3.35Å; D478-A503 PolarHBondContact OD2-N 2.78Å
479	C	83.8	Confident	77.3	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.007	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	135.8	172.2	-76.8	0	0	0	0	109.7	I448 L463 G464 E466 L477 F481 R492	I448-C479 HydrophobicContact CG2-CB 3.7Å; L463-C479 VanDerWaalsContact CA-O 3.28Å; L463-C479 WeakPolarHBondContact CA-O 3.43Å; G464-C479 PolarHBondContact N-O 2.99Å; G464-C479 PolarHBondContact O-N 2.87Å; E466-C479 WeakPolarHBondContact CG-SG 3.27Å; E466-C479 PolarHBondContact OE1-SG 3.12Å; L477-C479 PolarHBondContact O-N 2.89Å; C479-F481 HydrophobicContact CB-CD2 3.94Å; C479-F481 HydrophobicContact CB-CE2 3.37Å; C479-F481 HydrophobicContact CB-CZ 3.76Å; C479-R492 PolarHBondContact SG-NH2 3.45Å
480	F	88.9	Confident	78.9	Confident	8 Å²	8	57 Å²	57	4%	0.035	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118.6	165.7	-177.1	-144	0	0	0	108.9	Y461 L463 L493 L515 F528 W535	Y461-F480 AromaticContact CD1-CE2 3.78Å; Y461-F480 HydrophobicContact CD1-CE2 3.78Å; Y461-F480 AromaticContact CD1-CZ 3.59Å; Y461-F480 HydrophobicContact CD1-CZ 3.59Å; Y461-F480 HydrophobicContact CE1-CZ 4.26Å; Y461-F480 HydrophobicContact CG-CE2 4.33Å; Y461-F480 HydrophobicContact CG-CZ 4.39Å; L463-F480 HydrophobicContact CD1-CD2 4Å; L463-F480 HydrophobicContact CD1-CE2 3.99Å; L463-F480 HydrophobicContact CD2-CD2 3.94Å; L463-F480 HydrophobicContact CD2-CE2 4.44Å; L463-F480 HydrophobicContact CD2-CG 4.45Å; L463-F480 HydrophobicContact CG-CD2 3.66Å; L463-F480 HydrophobicContact CG-CE2 4.17Å; F480-L493 HydrophobicContact CB-CB 4.47Å; F480-L493 HydrophobicContact CD1-CB 3.37Å; F480-L493 HydrophobicContact CD1-CD1 3.95Å; F480-L493 HydrophobicContact CD1-CG 4.28Å; F480-L493 HydrophobicContact CE1-CB 3.76Å; F480-L493 HydrophobicContact CE1-CD1 3.45Å; F480-L493 VanDerWaalsContact CE1-CD1 3.45Å; F480-L493 HydrophobicContact CE1-CG 4.25Å; F480-L493 HydrophobicContact CG-CB 4.06Å; F480-L493 HydrophobicContact CZ-CD1 3.91Å; F480-L493 PolarHBondContact O-N 2.74Å; F480-L515 HydrophobicContact CE2-CD2 4.03Å; F480-L515 HydrophobicContact CZ-CD2 3.78Å; F480-F528 HydrophobicContact CE1-CZ 4.47Å; F480-F528 HydrophobicContact CZ-CD1 4.35Å; F480-F528 HydrophobicContact CZ-CE1 4.41Å; F480-W535 AromaticContact CD1-CZ2 3.88Å; F480-W535 HydrophobicContact CD1-CZ2 3.88Å; F480-W535 HydrophobicContact CE1-CH2 4.09Å; F480-W535 AromaticContact CE1-CZ2 3.37Å; F480-W535 HydrophobicContact CE1-CZ2 3.37Å; F480-W535 HydrophobicContact CZ-CH2 4.09Å; F480-W535 AromaticContact CZ-CZ2 3.84Å; F480-W535 HydrophobicContact CZ-CZ2 3.84Å
481	F	93.1	Very high	80.9	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	147.1	-176.3	-65.4	-59.6	0	0	0	111.3	L444 P445 I448 Y461 T462 C479 W490 S491 R492	L444-F481 HydrophobicContact CD2-CD2 4.08Å; L444-F481 HydrophobicContact CD2-CE2 4.45Å; P445-F481 HydrophobicContact CB-CE1 3.95Å; P445-F481 HydrophobicContact CB-CZ 4.32Å; P445-F481 HydrophobicContact CG-CD1 4.05Å; P445-F481 HydrophobicContact CG-CE1 3.82Å; P445-F481 HydrophobicContact CG-CZ 4.43Å; I448-F481 HydrophobicContact CG2-CD2 4.48Å; I448-F481 HydrophobicContact CG2-CE2 3.78Å; Y461-F481 WeakPolarHBondContact CA-O 3.26Å; T462-F481 PolarHBondContact N-O 3.45Å; T462-F481 PolarHBondContact O-N 2.88Å; C479-F481 HydrophobicContact CB-CD2 3.94Å; C479-F481 HydrophobicContact CB-CE2 3.37Å; C479-F481 HydrophobicContact CB-CZ 3.76Å; F481-W490 HydrophobicContact CB-CE3 3.7Å; F481-W490 HydrophobicContact CB-CZ3 3.65Å; F481-W490 HydrophobicContact CG-CE3 4.36Å; F481-W490 HydrophobicContact CG-CZ3 4.5Å; F481-S491 WeakPolarHBondContact CA-O 3.1Å; F481-R492 HydrophobicContact CD1-CB 4.01Å; F481-R492 HydrophobicContact CD1-CG 4.12Å; F481-R492 HydrophobicContact CE1-CB 3.88Å; F481-R492 HydrophobicContact CE1-CG 3.8Å
482	R	95.4	Very high	83	Confident	62 Å²	62	55 Å²	55	23%	0.234	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.3	172.6	179.8	-177.5	-177.4	-108.1	-4.4	108	V459 I460 Y461 E484 W490 S491 L493	V459-R482 HydrophobicContact CG1-CG 3.42Å; V459-R482 VanDerWaalsContact CG1-CG 3.42Å; I460-R482 CarbonylContact O-C 3.57Å; Y461-R482 HydrophobicContact CD1-CB 4.2Å; Y461-R482 HydrophobicContact CD1-CG 4.32Å; Y461-R482 HydrophobicContact CE1-CB 3.94Å; Y461-R482 HydrophobicContact CE1-CG 3.69Å; Y461-R482 PolarHBondContact OH-NE 3.05Å; R482-E484 VanDerWaalsContact CZ-CD 3.43Å; R482-E484 IonicContact CZ-OE1 3.17Å; R482-E484 IonicContact CZ-OE2 3.69Å; R482-E484 IonicContact NH1-OE1 2.68Å; R482-E484 PolarHBondContact NH1-OE1 3.17Å; R482-E484 IonicContact NH2-OE1 3.34Å; R482-E484 PolarHBondContact NH2-OE1 3.36Å; R482-E484 IonicContact NH2-OE2 3.42Å; R482-E484 PolarHBondContact NH2-OE2 2.89Å; R482-W490 CarbonylContact O-C 3.59Å; R482-W490 WeakPolarHBondContact O-CA 3.15Å; R482-S491 PolarHBondContact N-O 3.43Å; R482-S491 PolarHBondContact O-N 3.05Å; R482-L493 HydrophobicContact CB-CD1 3.73Å; R482-L493 HydrophobicContact CB-CD2 4.43Å; R482-L493 HydrophobicContact CB-CG 3.91Å; R482-L493 HydrophobicContact CG-CD1 4.46Å
483	Y	97.8	Very high	84.8	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.1	175.2	178.4	-107.4	0	0	0	110.7	Y409 V441 V459 I460 A485 D488 Q489 W490	Y409-Y483 HydrophobicContact CD1-CE1 4.22Å; Y409-Y483 AromaticContact CE1-CE1 3.64Å; Y409-Y483 HydrophobicContact CE1-CE1 3.64Å; V441-Y483 WeakPolarHBondContact CB-OH 3.48Å; V459-Y483 WeakPolarHBondContact CA-O 3.16Å; V459-Y483 WeakPolarHBondContact CG1-O 3.38Å; I460-Y483 HydrophobicContact CB-CD1 4.36Å; I460-Y483 HydrophobicContact CD1-CD1 3.95Å; I460-Y483 HydrophobicContact CD1-CE1 4.46Å; I460-Y483 HydrophobicContact CG1-CD1 4.39Å; I460-Y483 PolarHBondContact N-O 3.05Å; I460-Y483 PolarHBondContact O-N 2.82Å; Y483-A485 HydrophobicContact CD1-CB 4.11Å; Y483-A485 HydrophobicContact CE1-CB 3.85Å; Y483-A485 PolarHBondContact O-N 3.46Å; Y483-D488 WeakPolarHBondContact CE2-OD1 3.04Å; Y483-D488 PolarHBondContact OH-OD1 3.26Å; Y483-Q489 WeakPolarHBondContact CA-O 3.28Å; Y483-Q489 WeakPolarHBondContact CD2-O 3.32Å; Y483-W490 AromaticContact CD2-CD1 3.72Å; Y483-W490 AromaticContact CD2-CD2 3.65Å; Y483-W490 HydrophobicContact CD2-CD2 3.65Å; Y483-W490 AromaticContact CD2-CE2 3.36Å; Y483-W490 HydrophobicContact CD2-CE3 4.32Å; Y483-W490 AromaticContact CD2-CG 3.86Å; Y483-W490 HydrophobicContact CD2-CG 3.86Å; Y483-W490 HydrophobicContact CD2-CH2 4.48Å; Y483-W490 AromaticContact CD2-CZ2 3.81Å; Y483-W490 HydrophobicContact CD2-CZ2 3.81Å; Y483-W490 AromaticContact CD2-NE1 3.4Å; Y483-W490 AromaticContact CE2-NE1 3.74Å; Y483-W490 HydrophobicContact CG-CD2 4.12Å; Y483-W490 AromaticContact CG-CE2 3.84Å; Y483-W490 HydrophobicContact CG-CE3 4.37Å; Y483-W490 HydrophobicContact CG-CH2 4.14Å; Y483-W490 AromaticContact CG-CZ2 3.83Å; Y483-W490 HydrophobicContact CG-CZ2 3.83Å; Y483-W490 HydrophobicContact CG-CZ3 4.41Å
484	E	96.8	Very high	85.8	Confident	36 Å²	36	53 Å²	53	17%	0.168	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	93.2	179.1	-73	-82.7	-138.7	0	0	108.9	V459 R482 Q486 Q487 D488 Q489	V459-E484 VanDerWaalsContact CG2-OE2 3.29Å; V459-E484 WeakPolarHBondContact CG2-OE2 3.46Å; R482-E484 VanDerWaalsContact CZ-CD 3.43Å; R482-E484 IonicContact CZ-OE1 3.17Å; R482-E484 IonicContact CZ-OE2 3.69Å; R482-E484 IonicContact NH1-OE1 2.68Å; R482-E484 PolarHBondContact NH1-OE1 3.17Å; R482-E484 IonicContact NH2-OE1 3.34Å; R482-E484 PolarHBondContact NH2-OE1 3.36Å; R482-E484 IonicContact NH2-OE2 3.42Å; R482-E484 PolarHBondContact NH2-OE2 2.89Å; E484-Q486 PolarHBondContact O-N 3Å; E484-Q486 VanDerWaalsContact O-N 3.16Å; E484-Q487 HydrophobicContact CB-CB 4.19Å; E484-Q487 PolarHBondContact O-N 3.1Å; E484-Q487 VanDerWaalsContact O-N 3.11Å; E484-D488 PolarHBondContact O-N 3.13Å; E484-Q489 PolarHBondContact N-O 2.96Å; E484-Q489 PolarHBondContact O-N 3.37Å
485	A	95.6	Very high	86.4	Confident	5 Å²	5	51 Å²	51	4%	0.041	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.6	-165.7	0	0	0	0	0	114.7	L405 S458 Y483	L405-A485 HydrophobicContact CD1-CB 3.76Å; L405-A485 HydrophobicContact CG-CB 4.5Å; S458-A485 WeakPolarHBondContact O-CB 3.28Å; S458-A485 PolarHBondContact O-N 2.74Å; Y483-A485 HydrophobicContact CD1-CB 4.11Å; Y483-A485 HydrophobicContact CE1-CB 3.85Å; Y483-A485 PolarHBondContact O-N 3.46Å
486	Q	95.8	Very high	86.7	Confident	134 Å²	134	57.2 Å²	57.2	63%	0.626	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-36.5	174.7	-63.1	-177.9	2.4	0	0	112.3	L405 E484	L405-Q486 HydrophobicContact CD1-CG 3.43Å; L405-Q486 VanDerWaalsContact CD1-CG 3.43Å; E484-Q486 PolarHBondContact O-N 3Å; E484-Q486 VanDerWaalsContact O-N 3.16Å
487	Q	96.5	Very high	86.6	Confident	99 Å²	99	57.4 Å²	57.4	46%	0.463	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-14.7	-177.2	-64.7	80	1.2	0	0	112.5	E484 Q489	E484-Q487 HydrophobicContact CB-CB 4.19Å; E484-Q487 PolarHBondContact O-N 3.1Å; E484-Q487 VanDerWaalsContact O-N 3.11Å; Q487-Q489 HydrophobicContact CB-CB 4.4Å; Q487-Q489 HydrophobicContact CB-CG 4.21Å
488	D	97.3	Very high	86.2	Confident	59 Å²	59	56.6 Å²	56.6	32%	0.316	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	57.5	-171.4	-175.3	11.3	0	0	0	111.1	S442 Y483 E484	S442-D488 WeakPolarHBondContact CA-OD1 3.29Å; S442-D488 WeakPolarHBondContact CB-OD1 3.39Å; S442-D488 PolarHBondContact N-OD1 2.96Å; S442-D488 PolarHBondContact N-OD2 2.87Å; S442-D488 VanDerWaalsContact OG-CG 3.3Å; S442-D488 PolarHBondContact OG-O 2.63Å; S442-D488 PolarHBondContact OG-OD1 3.03Å; Y483-D488 WeakPolarHBondContact CE2-OD1 3.04Å; Y483-D488 PolarHBondContact OH-OD1 3.26Å; E484-D488 PolarHBondContact O-N 3.13Å
489	Q	97.6	Very high	85.1	Confident	119 Å²	119	61.7 Å²	61.7	56%	0.556	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.3	135.1	-177.1	-70.6	-172.9	2.1	0	0	112.9	Y483 E484 Q487	Y483-Q489 WeakPolarHBondContact CA-O 3.28Å; Y483-Q489 WeakPolarHBondContact CD2-O 3.32Å; E484-Q489 PolarHBondContact N-O 2.96Å; E484-Q489 PolarHBondContact O-N 3.37Å; Q487-Q489 HydrophobicContact CB-CB 4.4Å; Q487-Q489 HydrophobicContact CB-CG 4.21Å
490	W	97.5	Very high	83.5	Confident	33 Å²	33	67.7 Å²	67.7	13%	0.125	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	145.6	172.1	-71.2	97.9	0	0	0	111.9	I411 V428 S442 P443 L444 P445 F481 R482 Y483	I411-W490 HydrophobicContact CD1-CH2 4.35Å; I411-W490 HydrophobicContact CG2-CH2 4.26Å; V428-W490 HydrophobicContact CG1-CZ2 4.35Å; V428-W490 HydrophobicContact CG2-CZ2 3.94Å; S442-W490 PolarHBondContact O-NE1 3.46Å; P443-W490 PolarHBondContact O-NE1 3.03Å; L444-W490 HydrophobicContact CD2-CD2 4.44Å; L444-W490 HydrophobicContact CD2-CE3 4.26Å; L444-W490 HydrophobicContact CD2-CH2 3.68Å; L444-W490 HydrophobicContact CD2-CZ2 3.91Å; L444-W490 HydrophobicContact CD2-CZ3 3.86Å; L444-W490 HydrophobicContact CG-CZ2 4.46Å; P445-W490 HydrophobicContact CG-CB 3.6Å; P445-W490 HydrophobicContact CG-CG 4.2Å; F481-W490 HydrophobicContact CB-CE3 3.7Å; F481-W490 HydrophobicContact CB-CZ3 3.65Å; F481-W490 HydrophobicContact CG-CE3 4.36Å; F481-W490 HydrophobicContact CG-CZ3 4.5Å; R482-W490 CarbonylContact O-C 3.59Å; R482-W490 WeakPolarHBondContact O-CA 3.15Å; Y483-W490 AromaticContact CD2-CD1 3.72Å; Y483-W490 AromaticContact CD2-CD2 3.65Å; Y483-W490 HydrophobicContact CD2-CD2 3.65Å; Y483-W490 AromaticContact CD2-CE2 3.36Å; Y483-W490 HydrophobicContact CD2-CE3 4.32Å; Y483-W490 AromaticContact CD2-CG 3.86Å; Y483-W490 HydrophobicContact CD2-CG 3.86Å; Y483-W490 HydrophobicContact CD2-CH2 4.48Å; Y483-W490 AromaticContact CD2-CZ2 3.81Å; Y483-W490 HydrophobicContact CD2-CZ2 3.81Å; Y483-W490 AromaticContact CD2-NE1 3.4Å; Y483-W490 AromaticContact CE2-NE1 3.74Å; Y483-W490 HydrophobicContact CG-CD2 4.12Å; Y483-W490 AromaticContact CG-CE2 3.84Å; Y483-W490 HydrophobicContact CG-CE3 4.37Å; Y483-W490 HydrophobicContact CG-CH2 4.14Å; Y483-W490 AromaticContact CG-CZ2 3.83Å; Y483-W490 HydrophobicContact CG-CZ2 3.83Å; Y483-W490 HydrophobicContact CG-CZ3 4.41Å
491	S	94.7	Very high	82	Confident	50 Å²	50	67.9 Å²	67.9	35%	0.35	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	136	169.3	-67.1	0	0	0	0	109.6	F481 R482	F481-S491 WeakPolarHBondContact CA-O 3.1Å; R482-S491 PolarHBondContact N-O 3.43Å; R482-S491 PolarHBondContact O-N 3.05Å
492	R	91.2	Very high	80.7	Confident	123 Å²	123	69.9 Å²	69.9	46%	0.464	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.2	171	-168.3	171.3	-176.1	143.1	-0.1	109	E466 C479 F481	E466-R492 IonicContact OE1-CZ 3.87Å; E466-R492 VanDerWaalsContact OE1-CZ 3.29Å; E466-R492 IonicContact OE1-NH1 2.65Å; E466-R492 PolarHBondContact OE1-NH1 3.03Å; E466-R492 IonicContact OE1-NH2 3.25Å; E466-R492 PolarHBondContact OE1-NH2 2.87Å; C479-R492 PolarHBondContact SG-NH2 3.45Å; F481-R492 HydrophobicContact CD1-CB 4.01Å; F481-R492 HydrophobicContact CD1-CG 4.12Å; F481-R492 HydrophobicContact CE1-CB 3.88Å; F481-R492 HydrophobicContact CE1-CG 3.8Å
493	L	88.1	Confident	79	Confident	37 Å²	37	67.2 Å²	67.2	19%	0.194	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	165	176.1	-64	-173.5	0	0	0	110.4	Y461 F480 R482 F528	Y461-L493 HydrophobicContact CD1-CD1 4.17Å; Y461-L493 HydrophobicContact CE1-CD1 3.79Å; F480-L493 HydrophobicContact CB-CB 4.47Å; F480-L493 HydrophobicContact CD1-CB 3.37Å; F480-L493 HydrophobicContact CD1-CD1 3.95Å; F480-L493 HydrophobicContact CD1-CG 4.28Å; F480-L493 HydrophobicContact CE1-CB 3.76Å; F480-L493 HydrophobicContact CE1-CD1 3.45Å; F480-L493 VanDerWaalsContact CE1-CD1 3.45Å; F480-L493 HydrophobicContact CE1-CG 4.25Å; F480-L493 HydrophobicContact CG-CB 4.06Å; F480-L493 HydrophobicContact CZ-CD1 3.91Å; F480-L493 PolarHBondContact O-N 2.74Å; R482-L493 HydrophobicContact CB-CD1 3.73Å; R482-L493 HydrophobicContact CB-CD2 4.43Å; R482-L493 HydrophobicContact CB-CG 3.91Å; R482-L493 HydrophobicContact CG-CD1 4.46Å; L493-F528 HydrophobicContact CD1-CE1 4.27Å; L493-F528 HydrophobicContact CD1-CZ 3.96Å
494	V	78.5	Confident	77.5	Confident	113 Å²	113	68.7 Å²	68.7	69%	0.685	34%	0.34	S	S	*	.			trans	-115.7	128.4	174.2	-178.6	0	0	0	0	108.1	E496	V494-E496 PolarHBondContact O-N 3Å
495	A	71.4	Confident	76.6	Confident	29 Å²	29	67.4 Å²	67.4	24%	0.24	33%	0.334	C	S	.	.			trans	-86.9	101.7	169.4	0	0	0	0	0	108.8	F497 F501 W535	A495-F497 PolarHBondContact O-N 2.92Å; A495-F501 HydrophobicContact CB-CE2 4.21Å; A495-W535 HydrophobicContact CB-CZ2 4.06Å
496	E	66.8	Low	76.1	Confident	147 Å²	147	67.2 Å²	67.2	69%	0.687	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-11.8	-171.8	-45.4	-177.7	138.3	0	0	113.9	V494	V494-E496 PolarHBondContact O-N 3Å
497	F	57.4	Low	75.8	Confident	78 Å²	78	63.3 Å²	63.3	34%	0.342	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	0.6	-167.2	-46.7	-87.6	0	0	0	113.6	A495 Y526 W535	A495-F497 PolarHBondContact O-N 2.92Å; F497-Y526 HydrophobicContact CB-CD1 4.36Å; F497-Y526 HydrophobicContact CB-CE1 4.35Å; F497-W535 HydrophobicContact CD2-CB 3.51Å; F497-W535 AromaticContact CD2-CD1 3.41Å; F497-W535 VanDerWaalsContact CD2-CD1 3.41Å; F497-W535 AromaticContact CD2-CD2 3.81Å; F497-W535 HydrophobicContact CD2-CD2 3.81Å; F497-W535 AromaticContact CD2-CG 3.15Å; F497-W535 HydrophobicContact CD2-CG 3.15Å; F497-W535 HydrophobicContact CE2-CB 3.46Å; F497-W535 VanDerWaalsContact CE2-CB 3.46Å; F497-W535 AromaticContact CE2-CD1 3Å; F497-W535 HydrophobicContact CE2-CD2 4.18Å; F497-W535 AromaticContact CE2-CG 3.14Å; F497-W535 HydrophobicContact CE2-CG 3.14Å; F497-W535 AromaticContact CE2-NE1 3.91Å; F497-W535 HydrophobicContact CG-CB 4.29Å; F497-W535 HydrophobicContact CG-CG 4.29Å; F497-W535 HydrophobicContact CZ-CB 4.01Å; F497-W535 HydrophobicContact CZ-CG 4.13Å
498	G	52.8	Low	75.6	Confident	15 Å²	15	58.9 Å²	58.9	16%	0.155	29%	0.294	C	S	.	.			trans	169.7	125.5	172.5	0	0	0	0	0	114.9	F500	G498-F500 PolarHBondContact O-N 3.44Å
499	Q	50	Low	75.5	Confident	145 Å²	145	56.3 Å²	56.3	68%	0.678	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	52.7	153.1	-60.6	172.4	-2.5	0	0	108.9	P475	P475-Q499 HydrophobicContact CB-CB 4.26Å; P475-Q499 WeakPolarHBondContact CB-O 3.22Å; P475-Q499 WeakPolarHBondContact CG-O 3.47Å
500	F	50.6	Low	75.3	Confident	127 Å²	127	52 Å²	52	56%	0.557	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.5	3	-175	-63.7	-70	0	0	0	115.3	F473 G498	F473-F500 HydrophobicContact CE1-CD1 4.01Å; F473-F500 HydrophobicContact CZ-CD1 4.29Å; F473-F500 WeakPolarHBondContact CZ-O 3.46Å; G498-F500 PolarHBondContact O-N 3.44Å
501	F	57.3	Low	75.1	Confident	12 Å²	12	50.7 Å²	50.7	5%	0.053	26%	0.259	C	S	.	.			trans	-71.1	137.9	172.2	-58	-64.2	0	0	0	108.8	P475 D478 A495 V506 D519 Y526	P475-F501 WeakPolarHBondContact CB-O 3.41Å; D478-F501 VanDerWaalsContact OD2-CB 3.24Å; D478-F501 WeakPolarHBondContact OD2-CB 3.35Å; A495-F501 HydrophobicContact CB-CE2 4.21Å; F501-V506 HydrophobicContact CB-CG2 3.86Å; F501-V506 HydrophobicContact CD1-CG2 3.83Å; F501-V506 HydrophobicContact CG-CG2 4.19Å; F501-D519 HydrophobicContact CD1-CB 4.11Å; F501-D519 HydrophobicContact CE1-CB 4.19Å; F501-Y526 AromaticContact CE1-CD2 3.62Å; F501-Y526 HydrophobicContact CE1-CD2 3.62Å; F501-Y526 AromaticContact CE1-CE2 3.52Å; F501-Y526 HydrophobicContact CE1-CE2 3.52Å; F501-Y526 AromaticContact CZ-CD2 3.76Å; F501-Y526 HydrophobicContact CZ-CD2 3.76Å; F501-Y526 AromaticContact CZ-CE2 3.8Å; F501-Y526 HydrophobicContact CZ-CE2 3.8Å; F501-Y526 HydrophobicContact CZ-CG 4.23Å
502	H	65.7	Low	74.8	Confident	43 Å²	43	53.2 Å²	53.2	20%	0.199	27%	0.268	C	S	.	.			trans	-101.8	105.7	160.3	-166.7	-97.2	0	0	0	104.5	L363 F473 T504 L505 V506	L363-H502 WeakPolarHBondContact CD2-CE1 3.44Å; F473-H502 AromaticContact CD2-CD2 3.93Å; F473-H502 HydrophobicContact CE2-CB 4.14Å; H502-T504 VanDerWaalsContact CE1-CG2 3.47Å; H502-T504 WeakPolarHBondContact CE1-CG2 3.41Å; H502-T504 PolarHBondContact CE1-OG1 2.94Å; H502-T504 PolarHBondContact ND1-OG1 2.82Å; H502-T504 PolarHBondContact O-N 3.48Å; H502-L505 HydrophobicContact CB-CB 4.39Å; H502-L505 HydrophobicContact CB-CD1 4.29Å; H502-L505 HydrophobicContact CB-CG 4.47Å; H502-L505 PolarHBondContact O-N 2.9Å; H502-V506 PolarHBondContact O-N 3.25Å
503	A	59.9	Low	74.6	Confident	5 Å²	5	53.1 Å²	53.1	4%	0.041	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-50.1	-29.2	-172.9	0	0	0	0	0	114.1	G464 D478 L505	G464-A503 VanDerWaalsContact C-CB 3.47Å; D478-A503 PolarHBondContact OD2-N 2.78Å; A503-L505 PolarHBondContact O-N 2.91Å
504	T	66.4	Low	74.8	Confident	33 Å²	33	53.2 Å²	53.2	20%	0.202	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-70.9	-14.1	177.6	84.5	0	0	0	0	114.5	Y450 H502	Y450-T504 HydrophobicContact CD1-CG2 4.42Å; Y450-T504 HydrophobicContact CD2-CG2 3.3Å; Y450-T504 HydrophobicContact CE2-CG2 3.94Å; Y450-T504 HydrophobicContact CG-CG2 3.56Å; H502-T504 VanDerWaalsContact CE1-CG2 3.47Å; H502-T504 WeakPolarHBondContact CE1-CG2 3.41Å; H502-T504 PolarHBondContact CE1-OG1 2.94Å; H502-T504 PolarHBondContact ND1-OG1 2.82Å; H502-T504 PolarHBondContact O-N 3.48Å
505	L	77.3	Confident	75.5	Confident	9 Å²	9	47.8 Å²	47.8	5%	0.047	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-121.6	12.8	-174.3	-59.9	177.4	0	0	0	112.1	H502 A503 L520 F546	H502-L505 HydrophobicContact CB-CB 4.39Å; H502-L505 HydrophobicContact CB-CD1 4.29Å; H502-L505 HydrophobicContact CB-CG 4.47Å; H502-L505 PolarHBondContact O-N 2.9Å; A503-L505 PolarHBondContact O-N 2.91Å; L505-L520 HydrophobicContact CB-CB 4.43Å; L505-L520 VanDerWaalsContact O-CB 3.24Å; L505-L520 WeakPolarHBondContact O-CB 3.43Å; L505-L520 VanDerWaalsContact O-CG 3.26Å; L505-L520 WeakPolarHBondContact O-CG 3.37Å; L505-L520 PolarHBondContact O-N 3.21Å; L505-F546 HydrophobicContact CD1-CD1 3.38Å; L505-F546 HydrophobicContact CD1-CE1 3.41Å; L505-F546 VanDerWaalsContact CD1-CE1 3.41Å; L505-F546 HydrophobicContact CD2-CB 4.17Å; L505-F546 HydrophobicContact CD2-CD1 3.57Å; L505-F546 HydrophobicContact CD2-CE1 4.47Å; L505-F546 HydrophobicContact CD2-CG 4.34Å; L505-F546 HydrophobicContact CG-CD1 4.04Å
506	V	84.9	Confident	76.5	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	136	173.1	174	0	0	0	0	109	F501 H502 L517 C518	F501-V506 HydrophobicContact CB-CG2 3.86Å; F501-V506 HydrophobicContact CD1-CG2 3.83Å; F501-V506 HydrophobicContact CG-CG2 4.19Å; H502-V506 PolarHBondContact O-N 3.25Å; V506-L517 HydrophobicContact CG1-CB 4.07Å; V506-L517 HydrophobicContact CG1-CD1 4.32Å; V506-L517 HydrophobicContact CG1-CD2 4.02Å; V506-L517 HydrophobicContact CG1-CG 4.36Å; V506-C518 WeakPolarHBondContact CA-O 3.47Å
507	K	90.2	Very high	77.7	Confident	51 Å²	51	40 Å²	40	22%	0.222	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.8	166.8	-65.4	-61	-179.9	-173.5	0	111.4	E452 L517 C518 L520 A548 A550	E452-K507 WeakPolarHBondContact OE1-CD 3.49Å; E452-K507 IonicContact OE1-NZ 3.29Å; E452-K507 IonicContact OE2-NZ 3.25Å; E452-K507 PolarHBondContact OE2-NZ 2.9Å; K507-L517 WeakPolarHBondContact O-CA 3.21Å; K507-C518 HydrophobicContact CB-CB 4.36Å; K507-C518 PolarHBondContact N-O 3.11Å; K507-C518 PolarHBondContact O-N 3.44Å; K507-L520 HydrophobicContact CG-CD1 4.1Å; K507-A548 WeakPolarHBondContact CE-O 2.75Å; K507-A550 HydrophobicContact CB-CB 3.47Å; K507-A550 VanDerWaalsContact CB-CB 3.47Å; K507-A550 HydrophobicContact CG-CB 3.79Å
508	A	92.3	Very high	79.2	Confident	6 Å²	6	36.2 Å²	36.2	5%	0.05	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118	-177.6	0	0	0	0	0	109.9	E452 S454 L463 L515 L517	E452-A508 HydrophobicContact CG-CB 3.75Å; E452-A508 PolarHBondContact OE1-N 2.83Å; S454-A508 WeakPolarHBondContact CB-O 3.42Å; S454-A508 PolarHBondContact OG-O 3.48Å; L463-A508 HydrophobicContact CD1-CB 4.15Å; A508-L515 HydrophobicContact CB-CD1 4.46Å; A508-L517 HydrophobicContact CB-CD2 3.71Å
509	V	94.6	Very high	80.8	Confident	6 Å²	6	35.6 Å²	35.6	4%	0.036	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.5	-179	-60.4	0	0	0	0	110	S454 H516 A550 I557	S454-V509 WeakPolarHBondContact OG-CA 3.37Å; V509-H516 HydrophobicContact CG2-CB 3.88Å; V509-H516 PolarHBondContact N-O 2.82Å; V509-H516 WeakPolarHBondContact O-CA 3.46Å; V509-H516 PolarHBondContact O-N 2.86Å; V509-A550 HydrophobicContact CG1-CB 3.93Å; V509-I557 HydrophobicContact CG2-CB 4.42Å; V509-I557 HydrophobicContact CG2-CD1 3.79Å; V509-I557 HydrophobicContact CG2-CG1 3.83Å; V509-I557 HydrophobicContact CG2-CG2 3.79Å
510	S	94.2	Very high	82.5	Confident	28 Å²	28	28.8 Å²	28.8	20%	0.196	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.3	177.5	179	0	0	0	0	109.6	S454 A455 C456 T514	S454-S510 PolarHBondContact OG-N 3.22Å; A455-S510 WeakPolarHBondContact O-CB 3.48Å; A455-S510 PolarHBondContact O-OG 2.05Å; C456-S510 PolarHBondContact SG-OG 3.31Å; S510-T514 WeakPolarHBondContact CA-O 3.22Å
511	I	93.1	Very high	83.8	Confident	5 Å²	5	24.5 Å²	24.5	3%	0.026	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.1	172.5	57	158.5	0	0	0	108.7	N513 T514 H516 R554 R556 I557	I511-N513 VanDerWaalsContact C-N 3.27Å; I511-N513 PolarHBondContact O-N 2.83Å; I511-N513 VanDerWaalsContact O-N 3.14Å; I511-T514 PolarHBondContact N-O 2.63Å; I511-T514 VanDerWaalsContact N-O 3.09Å; I511-T514 WeakPolarHBondContact O-CA 3.29Å; I511-T514 WeakPolarHBondContact O-CB 3.3Å; I511-T514 PolarHBondContact O-N 3.11Å; I511-T514 VanDerWaalsContact O-O 3.05Å; I511-H516 WeakPolarHBondContact CG1-CE1 3.18Å; I511-H516 WeakPolarHBondContact CG1-ND1 3.19Å; I511-R554 VanDerWaalsContact CB-O 3.29Å; I511-R554 WeakPolarHBondContact CB-O 3.49Å; I511-R556 WeakPolarHBondContact CG2-O 3.39Å; I511-I557 HydrophobicContact CD1-CD1 4Å; I511-I557 HydrophobicContact CD1-CG1 3.84Å; I511-I557 HydrophobicContact CG1-CD1 4.27Å; I511-I557 HydrophobicContact CG1-CG1 4.17Å; I511-I557 HydrophobicContact CG2-CG1 4.07Å
512	N	88.1	Confident	84.9	Confident	103 Å²	103	26.4 Å²	26.4	55%	0.551	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.1	45.5	178.7	-62.9	-29.2	0	0	0	114.3	T514 R554 S578	N512-T514 PolarHBondContact O-N 2.84Å; N512-T514 VanDerWaalsContact O-N 3.09Å; N512-T514 PolarHBondContact O-OG1 3.36Å; N512-R554 PolarHBondContact N-O 2.72Å; N512-R554 PolarHBondContact OD1-O 2.88Å; N512-S578 PolarHBondContact ND2-OG 2.89Å
513	N	87.9	Confident	85.7	Confident	121 Å²	121	27.8 Å²	27.8	65%	0.647	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	26.4	-175.9	-70.4	-10.2	0	0	0	115.1	C456 I511 P530	C456-N513 PolarHBondContact SG-O 2.7Å; I511-N513 VanDerWaalsContact C-N 3.27Å; I511-N513 PolarHBondContact O-N 2.83Å; I511-N513 VanDerWaalsContact O-N 3.14Å; N513-P530 WeakPolarHBondContact O-CD 3.33Å
514	T	91.8	Very high	87	Confident	39 Å²	39	32.1 Å²	32.1	24%	0.239	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.5	176.2	-58.1	0	0	0	0	108.6	S510 I511 N512 H516 F528	S510-T514 WeakPolarHBondContact CA-O 3.22Å; I511-T514 PolarHBondContact N-O 2.63Å; I511-T514 VanDerWaalsContact N-O 3.09Å; I511-T514 WeakPolarHBondContact O-CA 3.29Å; I511-T514 WeakPolarHBondContact O-CB 3.3Å; I511-T514 PolarHBondContact O-N 3.11Å; I511-T514 VanDerWaalsContact O-O 3.05Å; N512-T514 PolarHBondContact O-N 2.84Å; N512-T514 VanDerWaalsContact O-N 3.09Å; N512-T514 PolarHBondContact O-OG1 3.36Å; T514-H516 PolarHBondContact O-CE1 2.72Å; T514-H516 PolarHBondContact O-ND1 2.9Å; T514-F528 WeakPolarHBondContact CG2-O 3.4Å
515	L	93.6	Very high	88	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	139.1	175.1	176.1	72.4	0	0	0	108.8	Y461 F480 A508 S527 F528	Y461-L515 HydrophobicContact CD1-CD2 4.04Å; Y461-L515 HydrophobicContact CD2-CD2 4.14Å; Y461-L515 HydrophobicContact CG-CD2 3.67Å; F480-L515 HydrophobicContact CE2-CD2 4.03Å; F480-L515 HydrophobicContact CZ-CD2 3.78Å; A508-L515 HydrophobicContact CB-CD1 4.46Å; L515-S527 CarbonylContact O-C 3.6Å; L515-S527 WeakPolarHBondContact O-CA 3.49Å; L515-F528 HydrophobicContact CB-CB 4.16Å; L515-F528 HydrophobicContact CB-CD1 4.2Å; L515-F528 HydrophobicContact CD2-CB 4.29Å; L515-F528 HydrophobicContact CD2-CD1 3.99Å; L515-F528 HydrophobicContact CD2-CG 4.5Å; L515-F528 PolarHBondContact N-O 2.91Å; L515-F528 VanDerWaalsContact N-O 3.12Å; L515-F528 PolarHBondContact O-N 2.92Å
516	H	92.4	Very high	88.5	Confident	10 Å²	10	31.7 Å²	31.7	5%	0.046	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.8	174.9	-64.2	68.6	0	0	0	109.3	V509 I511 T514 V525 Y526 I557	V509-H516 HydrophobicContact CG2-CB 3.88Å; V509-H516 PolarHBondContact N-O 2.82Å; V509-H516 WeakPolarHBondContact O-CA 3.46Å; V509-H516 PolarHBondContact O-N 2.86Å; I511-H516 WeakPolarHBondContact CG1-CE1 3.18Å; I511-H516 WeakPolarHBondContact CG1-ND1 3.19Å; T514-H516 PolarHBondContact O-CE1 2.72Å; T514-H516 PolarHBondContact O-ND1 2.9Å; H516-V525 HydrophobicContact CB-CG1 4.32Å; H516-Y526 CarbonylContact C-O 3.58Å; H516-Y526 VanDerWaalsContact CA-O 3.24Å; H516-Y526 WeakPolarHBondContact CA-O 3.25Å; H516-I557 HydrophobicContact CB-CD1 3.63Å
517	L	90.8	Very high	88.8	Confident	1 Å²	1	32 Å²	32	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.8	171	-62.7	-170	0	0	0	109.4	L463 V506 K507 A508 V525 Y526 W535	L463-L517 HydrophobicContact CD1-CD1 4.48Å; L463-L517 HydrophobicContact CD1-CD2 3.67Å; L463-L517 HydrophobicContact CD2-CD1 3.5Å; L463-L517 VanDerWaalsContact CD2-CD1 3.5Å; L463-L517 HydrophobicContact CD2-CD2 4.17Å; V506-L517 HydrophobicContact CG1-CB 4.07Å; V506-L517 HydrophobicContact CG1-CD1 4.32Å; V506-L517 HydrophobicContact CG1-CD2 4.02Å; V506-L517 HydrophobicContact CG1-CG 4.36Å; K507-L517 WeakPolarHBondContact O-CA 3.21Å; A508-L517 HydrophobicContact CB-CD2 3.71Å; L517-V525 WeakPolarHBondContact O-CA 3.34Å; L517-Y526 PolarHBondContact N-O 2.92Å; L517-Y526 PolarHBondContact O-N 3.17Å; L517-W535 HydrophobicContact CB-CZ3 4.24Å; L517-W535 HydrophobicContact CD1-CH2 3.24Å; L517-W535 HydrophobicContact CD1-CZ2 4.36Å; L517-W535 HydrophobicContact CD1-CZ3 3.53Å; L517-W535 HydrophobicContact CG-CH2 3.7Å; L517-W535 HydrophobicContact CG-CZ3 3.64Å
518	C	89.9	Confident	88.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	106.7	174.7	-53.4	0	0	0	0	107.9	V506 K507 L520 V525 F541 I559	V506-C518 WeakPolarHBondContact CA-O 3.47Å; K507-C518 HydrophobicContact CB-CB 4.36Å; K507-C518 PolarHBondContact N-O 3.11Å; K507-C518 PolarHBondContact O-N 3.44Å; C518-L520 PolarHBondContact O-N 3.2Å; C518-V525 HydrophobicContact CB-CG2 4.17Å; C518-F541 HydrophobicContact CB-CE1 4.27Å; C518-I559 HydrophobicContact CB-CD1 3.88Å
519	D	86.4	Confident	88.7	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	104.3	176.4	178.2	0.3	0	0	0	109.1	F501 S521 T522 Y523 K524 F541	F501-D519 HydrophobicContact CD1-CB 4.11Å; F501-D519 HydrophobicContact CE1-CB 4.19Å; D519-S521 PolarHBondContact O-N 3.18Å; D519-S521 WeakPolarHBondContact OD1-CB 3.43Å; D519-S521 PolarHBondContact OD1-N 3.31Å; D519-S521 PolarHBondContact OD1-OG 2.89Å; D519-T522 PolarHBondContact OD1-N 2.92Å; D519-T522 WeakPolarHBondContact OD2-CB 3.29Å; D519-T522 WeakPolarHBondContact OD2-CG2 3.49Å; D519-T522 PolarHBondContact OD2-OG1 3.17Å; D519-Y523 WeakPolarHBondContact O-CA 3.4Å; D519-Y523 PolarHBondContact O-N 2.65Å; D519-K524 PolarHBondContact N-O 3.08Å; D519-K524 PolarHBondContact O-N 2.58Å; D519-F541 WeakPolarHBondContact O-CZ 3.31Å
520	L	84.2	Confident	88.3	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.01	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-19.7	-178.7	-54.7	177.3	0	0	0	112.4	L505 K507 C518 F541 A544 A548 I559	L505-L520 HydrophobicContact CB-CB 4.43Å; L505-L520 VanDerWaalsContact O-CB 3.24Å; L505-L520 WeakPolarHBondContact O-CB 3.43Å; L505-L520 VanDerWaalsContact O-CG 3.26Å; L505-L520 WeakPolarHBondContact O-CG 3.37Å; L505-L520 PolarHBondContact O-N 3.21Å; K507-L520 HydrophobicContact CG-CD1 4.1Å; C518-L520 PolarHBondContact O-N 3.2Å; L520-F541 HydrophobicContact CD2-CE2 4.35Å; L520-F541 HydrophobicContact CD2-CZ 3.97Å; L520-A544 HydrophobicContact CD2-CB 3.9Å; L520-A548 HydrophobicContact CD1-CB 3.95Å; L520-A548 HydrophobicContact CD2-CB 4Å; L520-I559 HydrophobicContact CD2-CG2 4.34Å
521	S	78.5	Confident	87.9	Confident	38 Å²	38	39.8 Å²	39.8	27%	0.266	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-34.5	-179.4	74.9	0	0	0	0	113	D519	D519-S521 PolarHBondContact O-N 3.18Å; D519-S521 WeakPolarHBondContact OD1-CB 3.43Å; D519-S521 PolarHBondContact OD1-N 3.31Å; D519-S521 PolarHBondContact OD1-OG 2.89Å
522	T	80.1	Confident	87.7	Confident	52 Å²	52	43.6 Å²	43.6	32%	0.319	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-1.4	179.9	68.5	0	0	0	0	113.5	D519 K524	D519-T522 PolarHBondContact OD1-N 2.92Å; D519-T522 WeakPolarHBondContact OD2-CB 3.29Å; D519-T522 WeakPolarHBondContact OD2-CG2 3.49Å; D519-T522 PolarHBondContact OD2-OG1 3.17Å; T522-K524 PolarHBondContact O-N 3.12Å
523	Y	83.9	Confident	87.6	Confident	72 Å²	72	41.8 Å²	41.8	28%	0.282	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	30.9	-177.1	-54.1	-89.1	0	0	0	113.7	D519 S540 F541 A544	D519-Y523 WeakPolarHBondContact O-CA 3.4Å; D519-Y523 PolarHBondContact O-N 2.65Å; Y523-S540 CarbonylContact O-C 3.56Å; Y523-S540 WeakPolarHBondContact O-CA 3.28Å; Y523-S540 WeakPolarHBondContact O-CB 3.29Å; Y523-F541 WeakPolarHBondContact CB-O 3.13Å; Y523-F541 AromaticContact CD1-CD2 3.81Å; Y523-F541 HydrophobicContact CD1-CD2 3.81Å; Y523-F541 AromaticContact CD1-CE2 3.52Å; Y523-F541 HydrophobicContact CD1-CE2 3.52Å; Y523-F541 HydrophobicContact CE1-CE2 4.45Å; Y523-F541 HydrophobicContact CG-CD2 4.47Å; Y523-F541 HydrophobicContact CG-CE2 4.14Å; Y523-F541 PolarHBondContact O-N 2.81Å; Y523-A544 WeakPolarHBondContact CE1-O 3.47Å
524	K	85.4	Confident	87.5	Confident	96 Å²	96	39.8 Å²	39.8	42%	0.417	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	149.7	-174.1	-72.7	177.4	-173.9	172.8	0	112.1	D519 T522 Y526	D519-K524 PolarHBondContact N-O 3.08Å; D519-K524 PolarHBondContact O-N 2.58Å; T522-K524 PolarHBondContact O-N 3.12Å; K524-Y526 HydrophobicContact CB-CD2 4.41Å; K524-Y526 HydrophobicContact CB-CE2 3.59Å; K524-Y526 HydrophobicContact CD-CE2 4.45Å; K524-Y526 VanDerWaalsContact CD-OH 3.24Å; K524-Y526 WeakPolarHBondContact CD-OH 3.44Å
525	V	88	Confident	87.3	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.7	172.3	-177.9	0	0	0	0	111.4	H516 L517 C518 E538 G539 F541 W583	H516-V525 HydrophobicContact CB-CG1 4.32Å; L517-V525 WeakPolarHBondContact O-CA 3.34Å; C518-V525 HydrophobicContact CB-CG2 4.17Å; V525-E538 HydrophobicContact CG1-CB 4.33Å; V525-E538 PolarHBondContact O-N 2.82Å; V525-G539 PolarHBondContact N-O 3.26Å; V525-F541 HydrophobicContact CG2-CD1 3.66Å; V525-F541 HydrophobicContact CG2-CE1 3.69Å; V525-W583 HydrophobicContact CB-CZ2 4.24Å; V525-W583 HydrophobicContact CG2-CH2 4.04Å; V525-W583 HydrophobicContact CG2-CZ2 3.42Å; V525-W583 VanDerWaalsContact CG2-CZ2 3.42Å
526	Y	88	Confident	87	Confident	30 Å²	30	43.8 Å²	43.8	12%	0.118	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.6	179.6	-57.3	-90.5	0	0	0	108.9	F497 F501 H516 L517 K524 K536	F497-Y526 HydrophobicContact CB-CD1 4.36Å; F497-Y526 HydrophobicContact CB-CE1 4.35Å; F501-Y526 AromaticContact CE1-CD2 3.62Å; F501-Y526 HydrophobicContact CE1-CD2 3.62Å; F501-Y526 AromaticContact CE1-CE2 3.52Å; F501-Y526 HydrophobicContact CE1-CE2 3.52Å; F501-Y526 AromaticContact CZ-CD2 3.76Å; F501-Y526 HydrophobicContact CZ-CD2 3.76Å; F501-Y526 AromaticContact CZ-CE2 3.8Å; F501-Y526 HydrophobicContact CZ-CE2 3.8Å; F501-Y526 HydrophobicContact CZ-CG 4.23Å; H516-Y526 CarbonylContact C-O 3.58Å; H516-Y526 VanDerWaalsContact CA-O 3.24Å; H516-Y526 WeakPolarHBondContact CA-O 3.25Å; L517-Y526 PolarHBondContact N-O 2.92Å; L517-Y526 PolarHBondContact O-N 3.17Å; K524-Y526 HydrophobicContact CB-CD2 4.41Å; K524-Y526 HydrophobicContact CB-CE2 3.59Å; K524-Y526 HydrophobicContact CD-CE2 4.45Å; K524-Y526 VanDerWaalsContact CD-OH 3.24Å; K524-Y526 WeakPolarHBondContact CD-OH 3.44Å; Y526-K536 CarbonylContact C-O 3.55Å; Y526-K536 WeakPolarHBondContact CA-O 3.11Å
527	S	90.6	Very high	86.6	Confident	9 Å²	9	45.7 Å²	45.7	6%	0.063	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	142.2	169.3	64.2	0	0	0	0	109.6	L515 W535 K536 E538	L515-S527 CarbonylContact O-C 3.6Å; L515-S527 WeakPolarHBondContact O-CA 3.49Å; S527-W535 WeakPolarHBondContact O-CB 3.29Å; S527-K536 PolarHBondContact N-O 3.17Å; S527-K536 PolarHBondContact O-N 2.89Å; S527-K536 WeakPolarHBondContact OG-CB 3.11Å; S527-K536 PolarHBondContact OG-O 3.3Å; S527-E538 WeakPolarHBondContact CB-OE1 3.46Å; S527-E538 WeakPolarHBondContact OG-CG 3.31Å; S527-E538 PolarHBondContact OG-OE1 2.87Å
528	F	90.2	Very high	86.1	Confident	4 Å²	4	47 Å²	47	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118.1	174.7	174.1	-108.5	0	0	0	108.8	Y461 F480 L493 T514 L515 P530 W535	Y461-F528 HydrophobicContact CD1-CE1 4.31Å; Y461-F528 HydrophobicContact CE1-CD1 4.17Å; Y461-F528 AromaticContact CE1-CE1 3.52Å; Y461-F528 HydrophobicContact CE1-CE1 3.52Å; Y461-F528 HydrophobicContact CE1-CZ 4.44Å; Y461-F528 AromaticContact CZ-CE1 3.82Å; F480-F528 HydrophobicContact CE1-CZ 4.47Å; F480-F528 HydrophobicContact CZ-CD1 4.35Å; F480-F528 HydrophobicContact CZ-CE1 4.41Å; L493-F528 HydrophobicContact CD1-CE1 4.27Å; L493-F528 HydrophobicContact CD1-CZ 3.96Å; T514-F528 WeakPolarHBondContact CG2-O 3.4Å; L515-F528 HydrophobicContact CB-CB 4.16Å; L515-F528 HydrophobicContact CB-CD1 4.2Å; L515-F528 HydrophobicContact CD2-CB 4.29Å; L515-F528 HydrophobicContact CD2-CD1 3.99Å; L515-F528 HydrophobicContact CD2-CG 4.5Å; L515-F528 PolarHBondContact N-O 2.91Å; L515-F528 VanDerWaalsContact N-O 3.12Å; L515-F528 PolarHBondContact O-N 2.92Å; F528-P530 VanDerWaalsContact O-CD 3.25Å; F528-P530 WeakPolarHBondContact O-CD 3.38Å; F528-W535 HydrophobicContact CB-CB 4.47Å; F528-W535 HydrophobicContact CB-CD2 3.79Å; F528-W535 HydrophobicContact CB-CE3 3.66Å; F528-W535 HydrophobicContact CB-CG 4.24Å; F528-W535 HydrophobicContact CB-CH2 3.88Å; F528-W535 HydrophobicContact CB-CZ2 4.13Å; F528-W535 HydrophobicContact CB-CZ3 3.68Å; F528-W535 HydrophobicContact CD2-CB 4.33Å; F528-W535 AromaticContact CD2-CD1 3.39Å; F528-W535 AromaticContact CD2-CD2 3.77Å; F528-W535 HydrophobicContact CD2-CD2 3.77Å; F528-W535 AromaticContact CD2-CE2 3.49Å; F528-W535 VanDerWaalsContact CD2-CE2 3.49Å; F528-W535 HydrophobicContact CD2-CE3 4.5Å; F528-W535 AromaticContact CD2-CG 3.69Å; F528-W535 HydrophobicContact CD2-CG 3.69Å; F528-W535 AromaticContact CD2-CZ2 3.98Å; F528-W535 HydrophobicContact CD2-CZ2 3.98Å; F528-W535 AromaticContact CD2-NE1 3.39Å; F528-W535 AromaticContact CE2-CD1 3.9Å; F528-W535 AromaticContact CE2-NE1 3.75Å; F528-W535 HydrophobicContact CG-CD2 4.2Å; F528-W535 HydrophobicContact CG-CG 4.46Å; F528-W535 HydrophobicContact CG-CH2 4.33Å; F528-W535 HydrophobicContact CG-CZ2 4.14Å
529	C	90.3	Very high	85.6	Confident	39 Å²	39	48.9 Å²	48.9	26%	0.264	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	112.8	174.7	177.4	0	0	0	0	109.7	E531 T532 S533 V534	C529-E531 VanDerWaalsContact C-N 3.26Å; C529-E531 PolarHBondContact O-N 3.07Å; C529-T532 VanDerWaalsContact CB-OG1 3.3Å; C529-T532 WeakPolarHBondContact CB-OG1 3.4Å; C529-T532 PolarHBondContact O-N 3.04Å; C529-T532 PolarHBondContact SG-OG1 2.9Å; C529-S533 VanDerWaalsContact O-CA 3.27Å; C529-S533 WeakPolarHBondContact O-CA 3.35Å; C529-S533 PolarHBondContact O-N 3.43Å; C529-V534 PolarHBondContact N-O 3.39Å; C529-V534 VanDerWaalsContact N-O 3.14Å
530	P	86.9	Confident	85.3	Confident	27 Å²	27	52.4 Å²	52.4	18%	0.175	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-33.9	-179.1	-28.6	39.3	0	0	0	114.2	Y461 N513 F528	Y461-P530 HydrophobicContact CE2-CG 4.41Å; Y461-P530 WeakPolarHBondContact OH-CB 3.39Å; N513-P530 WeakPolarHBondContact O-CD 3.33Å; F528-P530 VanDerWaalsContact O-CD 3.25Å; F528-P530 WeakPolarHBondContact O-CD 3.38Å
531	E	86.4	Confident	85	Confident	184 Å²	184	52.6 Å²	52.6	86%	0.86	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-42.9	-174.3	-62	-177.7	172.1	0	0	112.4	C529	C529-E531 VanDerWaalsContact C-N 3.26Å; C529-E531 PolarHBondContact O-N 3.07Å
532	T	87.4	Confident	84.5	Confident	85 Å²	85	58.7 Å²	58.7	52%	0.521	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-13.8	-177.4	61	0	0	0	0	112.5	C529 V534	C529-T532 VanDerWaalsContact CB-OG1 3.3Å; C529-T532 WeakPolarHBondContact CB-OG1 3.4Å; C529-T532 PolarHBondContact O-N 3.04Å; C529-T532 PolarHBondContact SG-OG1 2.9Å; T532-V534 PolarHBondContact O-N 3.39Å; T532-V534 WeakPolarHBondContact OG1-CB 3.47Å; T532-V534 PolarHBondContact OG1-N 3.35Å
533	S	86	Confident	83.6	Confident	66 Å²	66	57.4 Å²	57.4	46%	0.462	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	28.1	-170.1	-59.2	0	0	0	0	113.5	C529	C529-S533 VanDerWaalsContact O-CA 3.27Å; C529-S533 WeakPolarHBondContact O-CA 3.35Å; C529-S533 PolarHBondContact O-N 3.43Å
534	V	86.6	Confident	82.6	Confident	79 Å²	79	54 Å²	54	48%	0.479	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	136	-176.7	174.8	0	0	0	0	111.7	C529 T532	C529-V534 PolarHBondContact N-O 3.39Å; C529-V534 VanDerWaalsContact N-O 3.14Å; T532-V534 PolarHBondContact O-N 3.39Å; T532-V534 WeakPolarHBondContact OG1-CB 3.47Å; T532-V534 PolarHBondContact OG1-N 3.35Å
535	W	87	Confident	81.8	Confident	12 Å²	12	49.4 Å²	49.4	5%	0.045	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	137.5	166.7	54.7	-29.4	0	0	0	116.9	F480 A495 F497 L517 S527 F528	F480-W535 AromaticContact CD1-CZ2 3.88Å; F480-W535 HydrophobicContact CD1-CZ2 3.88Å; F480-W535 HydrophobicContact CE1-CH2 4.09Å; F480-W535 AromaticContact CE1-CZ2 3.37Å; F480-W535 HydrophobicContact CE1-CZ2 3.37Å; F480-W535 HydrophobicContact CZ-CH2 4.09Å; F480-W535 AromaticContact CZ-CZ2 3.84Å; F480-W535 HydrophobicContact CZ-CZ2 3.84Å; A495-W535 HydrophobicContact CB-CZ2 4.06Å; F497-W535 HydrophobicContact CD2-CB 3.51Å; F497-W535 AromaticContact CD2-CD1 3.41Å; F497-W535 VanDerWaalsContact CD2-CD1 3.41Å; F497-W535 AromaticContact CD2-CD2 3.81Å; F497-W535 HydrophobicContact CD2-CD2 3.81Å; F497-W535 AromaticContact CD2-CG 3.15Å; F497-W535 HydrophobicContact CD2-CG 3.15Å; F497-W535 HydrophobicContact CE2-CB 3.46Å; F497-W535 VanDerWaalsContact CE2-CB 3.46Å; F497-W535 AromaticContact CE2-CD1 3Å; F497-W535 HydrophobicContact CE2-CD2 4.18Å; F497-W535 AromaticContact CE2-CG 3.14Å; F497-W535 HydrophobicContact CE2-CG 3.14Å; F497-W535 AromaticContact CE2-NE1 3.91Å; F497-W535 HydrophobicContact CG-CB 4.29Å; F497-W535 HydrophobicContact CG-CG 4.29Å; F497-W535 HydrophobicContact CZ-CB 4.01Å; F497-W535 HydrophobicContact CZ-CG 4.13Å; L517-W535 HydrophobicContact CB-CZ3 4.24Å; L517-W535 HydrophobicContact CD1-CH2 3.24Å; L517-W535 HydrophobicContact CD1-CZ2 4.36Å; L517-W535 HydrophobicContact CD1-CZ3 3.53Å; L517-W535 HydrophobicContact CG-CH2 3.7Å; L517-W535 HydrophobicContact CG-CZ3 3.64Å; S527-W535 WeakPolarHBondContact O-CB 3.29Å; F528-W535 HydrophobicContact CB-CB 4.47Å; F528-W535 HydrophobicContact CB-CD2 3.79Å; F528-W535 HydrophobicContact CB-CE3 3.66Å; F528-W535 HydrophobicContact CB-CG 4.24Å; F528-W535 HydrophobicContact CB-CH2 3.88Å; F528-W535 HydrophobicContact CB-CZ2 4.13Å; F528-W535 HydrophobicContact CB-CZ3 3.68Å; F528-W535 HydrophobicContact CD2-CB 4.33Å; F528-W535 AromaticContact CD2-CD1 3.39Å; F528-W535 AromaticContact CD2-CD2 3.77Å; F528-W535 HydrophobicContact CD2-CD2 3.77Å; F528-W535 AromaticContact CD2-CE2 3.49Å; F528-W535 VanDerWaalsContact CD2-CE2 3.49Å; F528-W535 HydrophobicContact CD2-CE3 4.5Å; F528-W535 AromaticContact CD2-CG 3.69Å; F528-W535 HydrophobicContact CD2-CG 3.69Å; F528-W535 AromaticContact CD2-CZ2 3.98Å; F528-W535 HydrophobicContact CD2-CZ2 3.98Å; F528-W535 AromaticContact CD2-NE1 3.39Å; F528-W535 AromaticContact CE2-CD1 3.9Å; F528-W535 AromaticContact CE2-NE1 3.75Å; F528-W535 HydrophobicContact CG-CD2 4.2Å; F528-W535 HydrophobicContact CG-CG 4.46Å; F528-W535 HydrophobicContact CG-CH2 4.33Å; F528-W535 HydrophobicContact CG-CZ2 4.14Å
536	K	87.3	Confident	81.4	Confident	111 Å²	111	52.6 Å²	52.6	48%	0.483	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138.8	159.3	177.7	171.1	166.4	-101	0	112	Y526 S527 E538	Y526-K536 CarbonylContact C-O 3.55Å; Y526-K536 WeakPolarHBondContact CA-O 3.11Å; S527-K536 PolarHBondContact N-O 3.17Å; S527-K536 PolarHBondContact O-N 2.89Å; S527-K536 WeakPolarHBondContact OG-CB 3.11Å; S527-K536 PolarHBondContact OG-O 3.3Å; K536-E538 WeakPolarHBondContact CD-OE1 3.32Å; K536-E538 WeakPolarHBondContact CG-OE1 3.3Å; K536-E538 VanDerWaalsContact NZ-CD 3.28Å; K536-E538 IonicContact NZ-OE1 2.63Å; K536-E538 PolarHBondContact NZ-OE1 2.84Å; K536-E538 IonicContact NZ-OE2 3.21Å; K536-E538 PolarHBondContact NZ-OE2 2.75Å
537	G	84.9	Confident	81.1	Confident	50 Å²	50	52.7 Å²	52.7	52%	0.515	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.5	169.5	0	0	0	0	0	110
538	E	80.3	Confident	81.1	Confident	27 Å²	27	52.3 Å²	52.3	13%	0.126	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-6.5	-177.2	-65.4	-58.5	146.3	0	0	113.2	V525 S527 K536 Y576	V525-E538 HydrophobicContact CG1-CB 4.33Å; V525-E538 PolarHBondContact O-N 2.82Å; S527-E538 WeakPolarHBondContact CB-OE1 3.46Å; S527-E538 WeakPolarHBondContact OG-CG 3.31Å; S527-E538 PolarHBondContact OG-OE1 2.87Å; K536-E538 WeakPolarHBondContact CD-OE1 3.32Å; K536-E538 WeakPolarHBondContact CG-OE1 3.3Å; K536-E538 VanDerWaalsContact NZ-CD 3.28Å; K536-E538 IonicContact NZ-OE1 2.63Å; K536-E538 PolarHBondContact NZ-OE1 2.84Å; K536-E538 IonicContact NZ-OE2 3.21Å; K536-E538 PolarHBondContact NZ-OE2 2.75Å; E538-Y576 PolarHBondContact OE2-OH 2.86Å; E538-Y576 VanDerWaalsContact OE2-OH 3.08Å
539	G	78.4	Confident	81.2	Confident	40 Å²	40	52.4 Å²	52.4	41%	0.412	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	130.1	-158.7	175.7	0	0	0	0	0	112.7	V525	V525-G539 PolarHBondContact N-O 3.26Å
540	S	80.2	Confident	81.3	Confident	76 Å²	76	51.2 Å²	51.2	53%	0.531	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.8	175.7	53.8	0	0	0	0	110.8	Y523 W583	Y523-S540 CarbonylContact O-C 3.56Å; Y523-S540 WeakPolarHBondContact O-CA 3.28Å; Y523-S540 WeakPolarHBondContact O-CB 3.29Å; S540-W583 VanDerWaalsContact O-CD1 3.25Å
541	F	78.1	Confident	81.7	Confident	5 Å²	5	50.2 Å²	50.2	2%	0.022	29%	0.29	C	S	.	.			trans	-98.7	159.7	168.9	51.1	-96.3	0	0	0	109.6	C518 D519 L520 Y523 V525 A544 Q574 W583	C518-F541 HydrophobicContact CB-CE1 4.27Å; D519-F541 WeakPolarHBondContact O-CZ 3.31Å; L520-F541 HydrophobicContact CD2-CE2 4.35Å; L520-F541 HydrophobicContact CD2-CZ 3.97Å; Y523-F541 WeakPolarHBondContact CB-O 3.13Å; Y523-F541 AromaticContact CD1-CD2 3.81Å; Y523-F541 HydrophobicContact CD1-CD2 3.81Å; Y523-F541 AromaticContact CD1-CE2 3.52Å; Y523-F541 HydrophobicContact CD1-CE2 3.52Å; Y523-F541 HydrophobicContact CE1-CE2 4.45Å; Y523-F541 HydrophobicContact CG-CD2 4.47Å; Y523-F541 HydrophobicContact CG-CE2 4.14Å; Y523-F541 PolarHBondContact O-N 2.81Å; V525-F541 HydrophobicContact CG2-CD1 3.66Å; V525-F541 HydrophobicContact CG2-CE1 3.69Å; F541-A544 HydrophobicContact CD2-CB 3.71Å; F541-A544 HydrophobicContact CE2-CB 3.29Å; F541-A544 HydrophobicContact CZ-CB 4.23Å; F541-Q574 VanDerWaalsContact CB-OE1 3.31Å; F541-W583 HydrophobicContact CB-CD2 3.8Å; F541-W583 HydrophobicContact CB-CE3 3.87Å; F541-W583 HydrophobicContact CB-CG 4.37Å; F541-W583 HydrophobicContact CB-CH2 4.23Å; F541-W583 HydrophobicContact CB-CZ2 4.19Å; F541-W583 HydrophobicContact CB-CZ3 4.07Å; F541-W583 AromaticContact CD1-CH2 3.98Å; F541-W583 HydrophobicContact CD1-CH2 3.98Å; F541-W583 AromaticContact CD1-CZ2 3.93Å; F541-W583 HydrophobicContact CD1-CZ2 3.93Å; F541-W583 HydrophobicContact CG-CH2 4.46Å
542	E	67.9	Low	82.1	Confident	167 Å²	167	42.4 Å²	42.4	78%	0.78	26%	0.259	S	S	*	.	S	Bend	trans	-98.5	-27.8	-171.8	-62.1	-171.7	161.6	0	0	112.3
543	C	60.9	Low	82.2	Confident	24 Å²	24	40.4 Å²	40.4	16%	0.162	24%	0.244	C	C	.	.			trans	-137.6	95.6	-170.2	-60.1	0	0	0	0	110.1	Y564 E572 Q574	C543-Y564 WeakPolarHBondContact CA-OH 3.25Å; C543-Y564 WeakPolarHBondContact CB-OH 3.35Å; C543-E572 HydrophobicContact CB-CB 4.38Å; C543-E572 WeakPolarHBondContact CB-OE2 3.18Å; C543-Q574 HydrophobicContact CB-CG 4.23Å
544	A	63.9	Low	82.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.242	C	C	.	.			trans	-142.2	127.9	158.2	0	0	0	0	0	109.5	L520 Y523 F541 A548 I559	L520-A544 HydrophobicContact CD2-CB 3.9Å; Y523-A544 WeakPolarHBondContact CE1-O 3.47Å; F541-A544 HydrophobicContact CD2-CB 3.71Å; F541-A544 HydrophobicContact CE2-CB 3.29Å; F541-A544 HydrophobicContact CZ-CB 4.23Å; A544-A548 HydrophobicContact CB-CB 4.23Å; A544-I559 HydrophobicContact CB-CG2 3.47Å; A544-I559 VanDerWaalsContact CB-CG2 3.47Å
545	G	69.5	Low	82.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.233	C	C	.	.			trans	-70.5	164.8	168.2	0	0	0	0	0	111.2	A548 G561 D563	G545-A548 WeakPolarHBondContact O-CB 3.24Å; G545-A548 PolarHBondContact O-N 3.41Å; G545-G561 PolarHBondContact N-O 3.36Å; G545-D563 CarbonylContact C-O 3.48Å; G545-D563 VanDerWaalsContact CA-C 3.49Å; G545-D563 VanDerWaalsContact CA-O 3.25Å; G545-D563 WeakPolarHBondContact CA-O 3.41Å
546	F	78.9	Confident	82.6	Confident	70 Å²	70	44.5 Å²	44.5	31%	0.307	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-53.2	150.9	159.3	-62.6	-75.7	0	0	0	109.2	L505 A548 G562 D563	L505-F546 HydrophobicContact CD1-CD1 3.38Å; L505-F546 HydrophobicContact CD1-CE1 3.41Å; L505-F546 VanDerWaalsContact CD1-CE1 3.41Å; L505-F546 HydrophobicContact CD2-CB 4.17Å; L505-F546 HydrophobicContact CD2-CD1 3.57Å; L505-F546 HydrophobicContact CD2-CE1 4.47Å; L505-F546 HydrophobicContact CD2-CG 4.34Å; L505-F546 HydrophobicContact CG-CD1 4.04Å; F546-A548 PolarHBondContact O-N 2.83Å; F546-A548 VanDerWaalsContact O-N 3.1Å; F546-G562 CarbonylContact O-C 3.57Å; F546-G562 WeakPolarHBondContact O-CA 3.32Å; F546-D563 WeakPolarHBondContact CD2-O 3.22Å; F546-D563 PolarHBondContact N-O 2.85Å; F546-D563 PolarHBondContact O-N 3.08Å
547	N	81.7	Confident	82.9	Confident	32 Å²	32	39.2 Å²	39.2	17%	0.171	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	23.3	-179.2	-48.8	-55.3	0	0	0	115.7	D563 T594 E595	N547-D563 PolarHBondContact ND2-OD1 2.87Å; N547-T594 WeakPolarHBondContact CB-OG1 3.46Å; N547-E595 HydrophobicContact CB-CG 3.67Å; N547-E595 PolarHBondContact O-N 3.49Å
548	A	90.1	Very high	83.4	Confident	1 Å²	1	37 Å²	37	1%	0.008	20%	0.198	C	C	.	.			trans	-58.6	149.7	167.7	0	0	0	0	0	112.1	K507 L520 A544 G545 F546 I559 L560 G561	K507-A548 WeakPolarHBondContact CE-O 2.75Å; L520-A548 HydrophobicContact CD1-CB 3.95Å; L520-A548 HydrophobicContact CD2-CB 4Å; A544-A548 HydrophobicContact CB-CB 4.23Å; G545-A548 WeakPolarHBondContact O-CB 3.24Å; G545-A548 PolarHBondContact O-N 3.41Å; F546-A548 PolarHBondContact O-N 2.83Å; F546-A548 VanDerWaalsContact O-N 3.1Å; A548-I559 HydrophobicContact CB-CG2 4.06Å; A548-L560 WeakPolarHBondContact CA-O 3.21Å; A548-L560 WeakPolarHBondContact CB-O 3.4Å; A548-G561 WeakPolarHBondContact CB-O 3.33Å
549	G	91.8	Very high	84	Confident	5 Å²	5	35.8 Å²	35.8	5%	0.052	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	149.1	166.8	0	0	0	0	0	110.7	I559 L560	G549-I559 WeakPolarHBondContact O-CA 3.41Å; G549-L560 PolarHBondContact N-O 2.81Å; G549-L560 PolarHBondContact O-N 3.32Å
550	A	93.5	Very high	84.8	Confident	14 Å²	14	33.9 Å²	33.9	12%	0.116	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.1	170.8	0	0	0	0	0	111.4	K507 V509 Y558 I559	K507-A550 HydrophobicContact CB-CB 3.47Å; K507-A550 VanDerWaalsContact CB-CB 3.47Å; K507-A550 HydrophobicContact CG-CB 3.79Å; V509-A550 HydrophobicContact CG1-CB 3.93Å; A550-Y558 WeakPolarHBondContact CA-O 3.44Å; A550-I559 HydrophobicContact CB-CD1 3.54Å
551	V	95.3	Very high	85.4	Confident	7 Å²	7	30.3 Å²	30.3	4%	0.042	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	143.3	174.9	-70.3	0	0	0	0	111	I296 I557 Y558 L560 C598 I600	I296-V551 HydrophobicContact CD1-CG2 3.75Å; I296-V551 HydrophobicContact CG1-CG2 3.92Å; I296-V551 HydrophobicContact CG2-CG2 3.96Å; V551-I557 WeakPolarHBondContact O-CA 3.35Å; V551-Y558 HydrophobicContact CG2-CD2 4.3Å; V551-Y558 HydrophobicContact CG2-CG 4.38Å; V551-Y558 PolarHBondContact N-O 3.2Å; V551-Y558 PolarHBondContact O-N 3.05Å; V551-L560 HydrophobicContact CG2-CD1 4.23Å; V551-C598 HydrophobicContact CG1-CB 4.43Å; V551-I600 HydrophobicContact CB-CD1 3.87Å; V551-I600 HydrophobicContact CB-CG1 3.87Å; V551-I600 HydrophobicContact CG1-CD1 4.39Å; V551-I600 HydrophobicContact CG1-CG1 4.23Å; V551-I600 HydrophobicContact CG2-CD1 3.75Å; V551-I600 HydrophobicContact CG2-CG1 4.33Å
552	G	93.6	Very high	85.9	Confident	19 Å²	19	30.1 Å²	30.1	20%	0.196	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.2	173.1	0	0	0	0	0	110.4	R556	G552-R556 WeakPolarHBondContact CA-O 3.4Å
553	M	90.3	Very high	86.7	Confident	43 Å²	43	22.6 Å²	22.6	21%	0.212	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	129.9	172.4	-174.6	56.7	172.7	0	0	110.4	S294 L315 D555 R556 I600	S294-M553 WeakPolarHBondContact OG-CE 3.28Å; L315-M553 HydrophobicContact CD1-CB 4.15Å; L315-M553 HydrophobicContact CD1-CG 3.74Å; M553-D555 PolarHBondContact O-N 2.87Å; M553-D555 VanDerWaalsContact O-N 3.09Å; M553-R556 PolarHBondContact N-O 3.42Å; M553-R556 PolarHBondContact O-N 3.2Å; M553-I600 HydrophobicContact CB-CD1 4.14Å; M553-I600 HydrophobicContact CB-CG1 4.33Å; M553-I600 HydrophobicContact SD-CG2 4.1Å
554	R	86.1	Confident	87.8	Confident	109 Å²	109	24.5 Å²	24.5	41%	0.411	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	-110.5	-176.8	-61.4	173.1	178.7	154.2	-2	110.8	I511 N512	I511-R554 VanDerWaalsContact CB-O 3.29Å; I511-R554 WeakPolarHBondContact CB-O 3.49Å; N512-R554 PolarHBondContact N-O 2.72Å; N512-R554 PolarHBondContact OD1-O 2.88Å
555	D	89.6	Confident	88.4	Confident	56 Å²	56	26.6 Å²	26.6	30%	0.299	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	9.9	-177.3	68.3	-45.4	0	0	0	113.4	M553 S578	M553-D555 PolarHBondContact O-N 2.87Å; M553-D555 VanDerWaalsContact O-N 3.09Å; D555-S578 WeakPolarHBondContact CA-OG 3.44Å; D555-S578 WeakPolarHBondContact CB-OG 3.28Å; D555-S578 WeakPolarHBondContact O-CB 3.33Å; D555-S578 PolarHBondContact O-N 3.41Å; D555-S578 PolarHBondContact O-OG 2.92Å
556	R	92.9	Very high	88.5	Confident	78 Å²	78	30.2 Å²	30.2	29%	0.294	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.9	-171.7	-58.8	177.9	-165.2	-172.5	-0.1	113.9	I511 G552 M553 Y558 V575 Y576 Y577	I511-R556 WeakPolarHBondContact CG2-O 3.39Å; G552-R556 WeakPolarHBondContact CA-O 3.4Å; M553-R556 PolarHBondContact N-O 3.42Å; M553-R556 PolarHBondContact O-N 3.2Å; R556-Y558 HydrophobicContact CB-CD2 4.45Å; R556-Y558 HydrophobicContact CB-CE2 3.72Å; R556-Y558 VanDerWaalsContact CD-OH 3.27Å; R556-Y558 WeakPolarHBondContact CD-OH 3.08Å; R556-V575 HydrophobicContact CB-CG1 4.01Å; R556-V575 HydrophobicContact CG-CG1 4.26Å; R556-Y576 WeakPolarHBondContact CA-O 3.46Å; R556-Y577 HydrophobicContact CG-CD1 4.02Å; R556-Y577 HydrophobicContact CG-CE1 4.16Å
557	I	94.1	Very high	88.6	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130	169.5	-59	168.4	0	0	0	108.1	V509 I511 H516 V551 I559 V575 Y576 W583	V509-I557 HydrophobicContact CG2-CB 4.42Å; V509-I557 HydrophobicContact CG2-CD1 3.79Å; V509-I557 HydrophobicContact CG2-CG1 3.83Å; V509-I557 HydrophobicContact CG2-CG2 3.79Å; I511-I557 HydrophobicContact CD1-CD1 4Å; I511-I557 HydrophobicContact CD1-CG1 3.84Å; I511-I557 HydrophobicContact CG1-CD1 4.27Å; I511-I557 HydrophobicContact CG1-CG1 4.17Å; I511-I557 HydrophobicContact CG2-CG1 4.07Å; H516-I557 HydrophobicContact CB-CD1 3.63Å; V551-I557 WeakPolarHBondContact O-CA 3.35Å; I557-I559 HydrophobicContact CG2-CD1 4.27Å; I557-V575 CarbonylContact O-C 3.5Å; I557-V575 VanDerWaalsContact O-CA 3.26Å; I557-V575 WeakPolarHBondContact O-CA 3.41Å; I557-Y576 HydrophobicContact CD1-CD1 4.03Å; I557-Y576 HydrophobicContact CG1-CD1 4.46Å; I557-Y576 PolarHBondContact N-O 3.35Å; I557-Y576 VanDerWaalsContact N-O 3.1Å; I557-Y576 PolarHBondContact O-N 3.24Å; I557-W583 HydrophobicContact CG2-CH2 4.44Å
558	Y	94.1	Very high	88.8	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.2	175.5	-62.2	-102.1	0	0	0	108.8	I296 Y313 L315 A550 V551 R556 V573 Q574 V575	I296-Y558 HydrophobicContact CD1-CD1 3.62Å; I296-Y558 HydrophobicContact CD1-CD2 3.94Å; I296-Y558 HydrophobicContact CD1-CE1 4.17Å; I296-Y558 HydrophobicContact CD1-CE2 4.44Å; I296-Y558 HydrophobicContact CD1-CG 3.53Å; Y313-Y558 HydrophobicContact CE1-CD1 4.44Å; Y313-Y558 AromaticContact CE1-CE1 3.84Å; Y313-Y558 HydrophobicContact CE1-CE1 3.84Å; L315-Y558 HydrophobicContact CD2-CD2 4.47Å; L315-Y558 HydrophobicContact CD2-CE1 4.08Å; L315-Y558 HydrophobicContact CD2-CE2 3.68Å; L315-Y558 VanDerWaalsContact CD2-CZ 3.48Å; L315-Y558 WeakPolarHBondContact CD2-OH 3.46Å; A550-Y558 WeakPolarHBondContact CA-O 3.44Å; V551-Y558 HydrophobicContact CG2-CD2 4.3Å; V551-Y558 HydrophobicContact CG2-CG 4.38Å; V551-Y558 PolarHBondContact N-O 3.2Å; V551-Y558 PolarHBondContact O-N 3.05Å; R556-Y558 HydrophobicContact CB-CD2 4.45Å; R556-Y558 HydrophobicContact CB-CE2 3.72Å; R556-Y558 VanDerWaalsContact CD-OH 3.27Å; R556-Y558 WeakPolarHBondContact CD-OH 3.08Å; Y558-V573 HydrophobicContact CD1-CG1 4.46Å; Y558-Q574 CarbonylContact C-O 3.52Å; Y558-Q574 WeakPolarHBondContact CA-O 3.24Å; Y558-V575 HydrophobicContact CD1-CB 4.4Å; Y558-V575 HydrophobicContact CD1-CG1 4.28Å; Y558-V575 HydrophobicContact CD1-CG2 3.35Å; Y558-V575 HydrophobicContact CE1-CB 4.31Å; Y558-V575 HydrophobicContact CE1-CG1 3.93Å; Y558-V575 HydrophobicContact CE1-CG2 3.36Å; Y558-V575 HydrophobicContact CE2-CG1 4.44Å; Y558-V575 HydrophobicContact CG-CG2 4.22Å
559	I	93.7	Very high	88.8	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.2	168.2	-56.5	-62.3	0	0	0	107.2	C518 L520 A544 A548 G549 A550 I557 V573 Q574 W583	C518-I559 HydrophobicContact CB-CD1 3.88Å; L520-I559 HydrophobicContact CD2-CG2 4.34Å; A544-I559 HydrophobicContact CB-CG2 3.47Å; A544-I559 VanDerWaalsContact CB-CG2 3.47Å; A548-I559 HydrophobicContact CB-CG2 4.06Å; G549-I559 WeakPolarHBondContact O-CA 3.41Å; A550-I559 HydrophobicContact CB-CD1 3.54Å; I557-I559 HydrophobicContact CG2-CD1 4.27Å; I559-V573 WeakPolarHBondContact O-CA 3.34Å; I559-Q574 PolarHBondContact N-O 3.49Å; I559-Q574 PolarHBondContact O-N 3.3Å; I559-W583 HydrophobicContact CG1-CH2 3.81Å; I559-W583 HydrophobicContact CG1-CZ3 3.76Å
560	L	93.9	Very high	88.8	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.7	-168.7	-50.8	97.2	0	0	0	110.6	I296 I298 W320 A548 G549 V551 V573 M589 F596	I296-L560 HydrophobicContact CD1-CD2 4.23Å; I296-L560 HydrophobicContact CG2-CD2 4.25Å; I298-L560 HydrophobicContact CD1-CD2 4.1Å; W320-L560 HydrophobicContact CH2-CD2 3.69Å; W320-L560 HydrophobicContact CZ2-CD2 3.99Å; A548-L560 WeakPolarHBondContact CA-O 3.21Å; A548-L560 WeakPolarHBondContact CB-O 3.4Å; G549-L560 PolarHBondContact N-O 2.81Å; G549-L560 PolarHBondContact O-N 3.32Å; V551-L560 HydrophobicContact CG2-CD1 4.23Å; L560-V573 HydrophobicContact CD2-CG1 4.12Å; L560-V573 HydrophobicContact CD2-CG2 4.28Å; L560-V573 HydrophobicContact CG-CG1 4.1Å; L560-V573 HydrophobicContact CG-CG2 4.48Å; L560-M589 HydrophobicContact CB-SD 4Å; L560-F596 HydrophobicContact CB-CE2 4.45Å; L560-F596 HydrophobicContact CB-CZ 3.99Å; L560-F596 VanDerWaalsContact O-CZ 3.27Å; L560-F596 WeakPolarHBondContact O-CZ 3.44Å
561	G	92.9	Very high	88.8	Confident	2 Å²	2	44.5 Å²	44.5	2%	0.021	23%	0.227	C	C	.	.			trans	61.6	-139.7	169.6	0	0	0	0	0	115.3	G545 A548 T570 E572	G545-G561 PolarHBondContact N-O 3.36Å; A548-G561 WeakPolarHBondContact CB-O 3.33Å; G561-T570 VanDerWaalsContact CA-O 3.31Å; G561-T570 WeakPolarHBondContact CA-O 3.37Å; G561-T570 WeakPolarHBondContact O-CG2 3.27Å; G561-E572 PolarHBondContact N-O 3.4Å
562	G	89.4	Confident	88.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.			trans	99.2	-172.4	-174.6	0	0	0	0	0	112.8	F546 I569 T570 L593	F546-G562 CarbonylContact O-C 3.57Å; F546-G562 WeakPolarHBondContact O-CA 3.32Å; G562-I569 WeakPolarHBondContact O-CA 3.34Å; G562-I569 WeakPolarHBondContact O-CG2 3.49Å; G562-T570 PolarHBondContact O-N 3.19Å; G562-L593 PolarHBondContact N-O 3.35Å
563	D	85.3	Confident	88.6	Confident	9 Å²	9	45.5 Å²	45.5	5%	0.048	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.8	176.2	59.9	-75.5	0	0	0	113.5	R362 G545 F546 N547 E568 I569 T594	R362-D563 IonicContact NE-OD2 3.04Å; R362-D563 IonicContact NH2-OD2 3.14Å; G545-D563 CarbonylContact C-O 3.48Å; G545-D563 VanDerWaalsContact CA-C 3.49Å; G545-D563 VanDerWaalsContact CA-O 3.25Å; G545-D563 WeakPolarHBondContact CA-O 3.41Å; F546-D563 WeakPolarHBondContact CD2-O 3.22Å; F546-D563 PolarHBondContact N-O 2.85Å; F546-D563 PolarHBondContact O-N 3.08Å; N547-D563 PolarHBondContact ND2-OD1 2.87Å; D563-E568 CarbonylContact C-O 3.56Å; D563-E568 WeakPolarHBondContact CA-O 3.45Å; D563-I569 HydrophobicContact CB-CG1 4.31Å; D563-T594 WeakPolarHBondContact OD1-CB 3.41Å; D563-T594 PolarHBondContact OD1-OG1 3.11Å
564	Y	83	Confident	88.7	Confident	65 Å²	65	43.8 Å²	43.8	26%	0.255	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-32.2	171.5	-66.4	-64.2	0	0	0	111.3	C543 E568 T570 E572	C543-Y564 WeakPolarHBondContact CA-OH 3.25Å; C543-Y564 WeakPolarHBondContact CB-OH 3.35Å; Y564-E568 HydrophobicContact CD2-CG 4.19Å; Y564-E568 PolarHBondContact N-O 2.95Å; Y564-T570 HydrophobicContact CD2-CG2 4.46Å; Y564-T570 HydrophobicContact CE2-CG2 3.87Å; Y564-E572 PolarHBondContact OH-OE2 2.91Å
565	S	77.3	Confident	89	Confident	44 Å²	44	38.6 Å²	38.6	31%	0.308	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	168.7	175.4	75.9	0	0	0	0	110	D567 E568	S565-D567 PolarHBondContact O-N 2.97Å; S565-E568 PolarHBondContact O-N 3.16Å; S565-E568 WeakPolarHBondContact OG-CB 3.3Å; S565-E568 PolarHBondContact OG-OE2 3.34Å
566	P	72.2	Confident	89.1	Confident	75 Å²	75	36.1 Å²	36.1	49%	0.487	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-34.2	-177.7	-40.8	42.5	0	0	0	118	R362	R362-P566 PolarHBondContact NH1-O 2.99Å; R362-P566 PolarHBondContact NH2-O 2.86Å
567	D	79.6	Confident	89	Confident	158 Å²	158	34.1 Å²	34.1	85%	0.845	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.3	4.3	-174.8	-57.2	-54.7	0	0	0	112.3	S565	S565-D567 PolarHBondContact O-N 2.97Å
568	E	87.3	Confident	88.7	Confident	110 Å²	110	35.5 Å²	35.5	51%	0.514	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	82.2	-174.2	-167.7	177.3	-167.3	0	0	110	D563 Y564 S565	D563-E568 CarbonylContact C-O 3.56Å; D563-E568 WeakPolarHBondContact CA-O 3.45Å; Y564-E568 HydrophobicContact CD2-CG 4.19Å; Y564-E568 PolarHBondContact N-O 2.95Å; S565-E568 PolarHBondContact O-N 3.16Å; S565-E568 WeakPolarHBondContact OG-CB 3.3Å; S565-E568 PolarHBondContact OG-OE2 3.34Å
569	I	89.7	Confident	88.3	Confident	77 Å²	77	39 Å²	39	40%	0.395	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.7	177.7	-55.4	173	0	0	0	108.3	G562 D563 L593 T594	G562-I569 WeakPolarHBondContact O-CA 3.34Å; G562-I569 WeakPolarHBondContact O-CG2 3.49Å; D563-I569 HydrophobicContact CB-CG1 4.31Å; I569-L593 VanDerWaalsContact CG2-C 3.49Å; I569-T594 HydrophobicContact CD1-CG2 4.01Å; I569-T594 HydrophobicContact CG1-CG2 4.26Å; I569-T594 HydrophobicContact CG2-CG2 4.48Å
570	T	91.3	Very high	88	Confident	11 Å²	11	43.9 Å²	43.9	7%	0.067	24%	0.243	C	C	.	.			trans	-102.9	149.3	-177.7	-175.7	0	0	0	0	112.2	G561 G562 Y564 E572 G592 L593	G561-T570 VanDerWaalsContact CA-O 3.31Å; G561-T570 WeakPolarHBondContact CA-O 3.37Å; G561-T570 WeakPolarHBondContact O-CG2 3.27Å; G562-T570 PolarHBondContact O-N 3.19Å; Y564-T570 HydrophobicContact CD2-CG2 4.46Å; Y564-T570 HydrophobicContact CE2-CG2 3.87Å; T570-E572 WeakPolarHBondContact OG1-CB 3.39Å; T570-E572 WeakPolarHBondContact OG1-CG 3.27Å; T570-E572 PolarHBondContact OG1-N 3.26Å; T570-E572 VanDerWaalsContact OG1-N 3.11Å; T570-E572 PolarHBondContact OG1-OE2 3.01Å; T570-G592 VanDerWaalsContact C-CA 3.5Å; T570-G592 WeakPolarHBondContact O-CA 3.38Å; T570-L593 PolarHBondContact O-N 2.9Å
571	D	93	Very high	87.7	Confident	66 Å²	66	47 Å²	47	35%	0.353	27%	0.265	S	S	.	.			trans	-101.6	3.1	169.3	56.1	-2.6	0	0	0	113.2	P588 M589	D571-P588 HydrophobicContact CB-CB 4.46Å; D571-P588 CarbonylContact O-C 3.51Å; D571-P588 WeakPolarHBondContact O-CA 3.43Å; D571-P588 WeakPolarHBondContact O-CB 3.41Å; D571-M589 HydrophobicContact CB-CB 4.12Å; D571-M589 PolarHBondContact O-N 3.44Å
572	E	92.6	Very high	87.5	Confident	48 Å²	48	51.8 Å²	51.8	22%	0.224	29%	0.286	C	S	.	.			trans	-61.1	146.7	-177.4	-69.6	162.7	154.9	0	0	112.1	C543 G561 Y564 T570	C543-E572 HydrophobicContact CB-CB 4.38Å; C543-E572 WeakPolarHBondContact CB-OE2 3.18Å; G561-E572 PolarHBondContact N-O 3.4Å; Y564-E572 PolarHBondContact OH-OE2 2.91Å; T570-E572 WeakPolarHBondContact OG1-CB 3.39Å; T570-E572 WeakPolarHBondContact OG1-CG 3.27Å; T570-E572 PolarHBondContact OG1-N 3.26Å; T570-E572 VanDerWaalsContact OG1-N 3.11Å; T570-E572 PolarHBondContact OG1-OE2 3.01Å
573	V	92.8	Very high	87.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.3	177.6	-176.4	0	0	0	0	108.6	W320 Y558 I559 L560 E585 V586 M589	W320-V573 HydrophobicContact CZ2-CG2 3.94Å; Y558-V573 HydrophobicContact CD1-CG1 4.46Å; I559-V573 WeakPolarHBondContact O-CA 3.34Å; L560-V573 HydrophobicContact CD2-CG1 4.12Å; L560-V573 HydrophobicContact CD2-CG2 4.28Å; L560-V573 HydrophobicContact CG-CG1 4.1Å; L560-V573 HydrophobicContact CG-CG2 4.48Å; V573-E585 WeakPolarHBondContact O-CA 3.41Å; V573-V586 HydrophobicContact CB-CG2 3.74Å; V573-V586 HydrophobicContact CG1-CG2 3.4Å; V573-V586 VanDerWaalsContact CG1-CG2 3.4Å; V573-V586 PolarHBondContact O-N 3.48Å; V573-M589 HydrophobicContact CG2-CG 3.65Å
574	Q	91.6	Very high	87.7	Confident	7 Å²	7	57 Å²	57	3%	0.033	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.8	176.5	-61.8	-157	-38.5	0	0	111.4	F541 C543 Y558 I559 W583 E584	F541-Q574 VanDerWaalsContact CB-OE1 3.31Å; C543-Q574 HydrophobicContact CB-CG 4.23Å; Y558-Q574 CarbonylContact C-O 3.52Å; Y558-Q574 WeakPolarHBondContact CA-O 3.24Å; I559-Q574 PolarHBondContact N-O 3.49Å; I559-Q574 PolarHBondContact O-N 3.3Å; Q574-W583 HydrophobicContact CB-CE3 3.98Å; Q574-W583 HydrophobicContact CB-CZ3 4.29Å; Q574-E584 CarbonylContact C-O 3.47Å; Q574-E584 WeakPolarHBondContact CA-O 3.47Å
575	V	92.4	Very high	88	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.8	-176.7	-172.5	0	0	0	0	110.3	R556 I557 Y558 Y577 W583 E584 V586	R556-V575 HydrophobicContact CB-CG1 4.01Å; R556-V575 HydrophobicContact CG-CG1 4.26Å; I557-V575 CarbonylContact O-C 3.5Å; I557-V575 VanDerWaalsContact O-CA 3.26Å; I557-V575 WeakPolarHBondContact O-CA 3.41Å; Y558-V575 HydrophobicContact CD1-CB 4.4Å; Y558-V575 HydrophobicContact CD1-CG1 4.28Å; Y558-V575 HydrophobicContact CD1-CG2 3.35Å; Y558-V575 HydrophobicContact CE1-CB 4.31Å; Y558-V575 HydrophobicContact CE1-CG1 3.93Å; Y558-V575 HydrophobicContact CE1-CG2 3.36Å; Y558-V575 HydrophobicContact CE2-CG1 4.44Å; Y558-V575 HydrophobicContact CG-CG2 4.22Å; V575-Y577 HydrophobicContact CB-CE2 4Å; V575-Y577 HydrophobicContact CG1-CD2 4.25Å; V575-Y577 HydrophobicContact CG1-CE2 3.79Å; V575-W583 CarbonylContact O-C 3.49Å; V575-W583 WeakPolarHBondContact O-CA 3.37Å; V575-E584 PolarHBondContact N-O 3.4Å; V575-E584 PolarHBondContact O-N 3.05Å; V575-V586 HydrophobicContact CB-CG1 4.14Å; V575-V586 HydrophobicContact CG2-CB 4.17Å; V575-V586 HydrophobicContact CG2-CG1 3.5Å; V575-V586 HydrophobicContact CG2-CG2 3.54Å
576	Y	91.8	Very high	88.6	Confident	3 Å²	3	58.6 Å²	58.6	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	130.8	168.1	-178.2	-117.8	0	0	0	110.4	E538 R556 I557 S581 Q582 W583	E538-Y576 PolarHBondContact OE2-OH 2.86Å; E538-Y576 VanDerWaalsContact OE2-OH 3.08Å; R556-Y576 WeakPolarHBondContact CA-O 3.46Å; I557-Y576 HydrophobicContact CD1-CD1 4.03Å; I557-Y576 HydrophobicContact CG1-CD1 4.46Å; I557-Y576 PolarHBondContact N-O 3.35Å; I557-Y576 VanDerWaalsContact N-O 3.1Å; I557-Y576 PolarHBondContact O-N 3.24Å; Y576-S581 WeakPolarHBondContact OH-CA 3.28Å; Y576-S581 PolarHBondContact OH-OG 3.42Å; Y576-Q582 WeakPolarHBondContact CA-O 3.46Å; Y576-W583 AromaticContact CD2-CD1 3.84Å; Y576-W583 HydrophobicContact CD2-CD2 4.12Å; Y576-W583 AromaticContact CD2-CE2 3.67Å; Y576-W583 HydrophobicContact CD2-CG 4.21Å; Y576-W583 HydrophobicContact CD2-CZ2 4.12Å; Y576-W583 AromaticContact CD2-NE1 3.47Å; Y576-W583 HydrophobicContact CG-CD2 4.42Å; Y576-W583 AromaticContact CG-CE2 3.95Å; Y576-W583 AromaticContact CG-CZ2 3.98Å; Y576-W583 HydrophobicContact CG-CZ2 3.98Å
577	Y	90.6	Very high	89.4	Confident	36 Å²	36	57.4 Å²	57.4	14%	0.141	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	106.4	172.9	-67.1	-94.8	0	0	0	109.9	R556 V575 G579 R580 S581 Q582 E584	R556-Y577 HydrophobicContact CG-CD1 4.02Å; R556-Y577 HydrophobicContact CG-CE1 4.16Å; V575-Y577 HydrophobicContact CB-CE2 4Å; V575-Y577 HydrophobicContact CG1-CD2 4.25Å; V575-Y577 HydrophobicContact CG1-CE2 3.79Å; Y577-G579 VanDerWaalsContact C-N 3.29Å; Y577-G579 PolarHBondContact O-N 3.14Å; Y577-R580 PolarHBondContact O-N 3.18Å; Y577-S581 WeakPolarHBondContact O-CA 3.45Å; Y577-S581 PolarHBondContact O-N 3.23Å; Y577-Q582 PolarHBondContact N-O 3.42Å; Y577-Q582 PolarHBondContact O-N 3.39Å; Y577-E584 HydrophobicContact CE2-CB 4.18Å; Y577-E584 HydrophobicContact CE2-CG 4.25Å; Y577-E584 VanDerWaalsContact CE2-OE2 3.31Å; Y577-E584 WeakPolarHBondContact CE2-OE2 3.39Å
578	S	88.4	Confident	90.1	Very high	30 Å²	30	52.6 Å²	52.6	21%	0.21	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-32.4	-176.1	60.3	0	0	0	0	113.6	N512 D555 R580	N512-S578 PolarHBondContact ND2-OG 2.89Å; D555-S578 WeakPolarHBondContact CA-OG 3.44Å; D555-S578 WeakPolarHBondContact CB-OG 3.28Å; D555-S578 WeakPolarHBondContact O-CB 3.33Å; D555-S578 PolarHBondContact O-N 3.41Å; D555-S578 PolarHBondContact O-OG 2.92Å; S578-R580 PolarHBondContact O-N 3.36Å
579	G	85.6	Confident	90.4	Very high	77 Å²	77	47.5 Å²	47.5	79%	0.794	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.3	180	0	0	0	0	0	114.9	Y577	Y577-G579 VanDerWaalsContact C-N 3.29Å; Y577-G579 PolarHBondContact O-N 3.14Å
580	R	88.3	Confident	90.6	Very high	104 Å²	104	47 Å²	47	39%	0.392	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-1	178.9	58.5	174.6	170.9	166.4	-9.9	114.2	Y577 S578 Q582 E584	Y577-R580 PolarHBondContact O-N 3.18Å; S578-R580 PolarHBondContact O-N 3.36Å; R580-Q582 HydrophobicContact CG-CB 4.08Å; R580-Q582 HydrophobicContact CG-CG 4.41Å; R580-Q582 PolarHBondContact O-N 3.02Å; R580-E584 IonicContact CZ-OE1 2.67Å; R580-E584 IonicContact CZ-OE2 3.58Å; R580-E584 IonicContact NH1-OE1 3.8Å; R580-E584 PolarHBondContact NH1-OE1 3.27Å; R580-E584 IonicContact NH1-OE2 2.76Å; R580-E584 IonicContact NH2-OE1 2.83Å; R580-E584 PolarHBondContact NH2-OE1 3.47Å; R580-E584 IonicContact NH2-OE2 2.75Å; R580-E584 PolarHBondContact NH2-OE2 2.98Å
581	S	86.9	Confident	90.7	Very high	66 Å²	66	53 Å²	53	46%	0.462	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	50.8	-176.3	-59.4	0	0	0	0	113.5	Y576 Y577	Y576-S581 WeakPolarHBondContact OH-CA 3.28Å; Y576-S581 PolarHBondContact OH-OG 3.42Å; Y577-S581 WeakPolarHBondContact O-CA 3.45Å; Y577-S581 PolarHBondContact O-N 3.23Å
582	Q	88.9	Confident	90.6	Very high	102 Å²	102	50.9 Å²	50.9	48%	0.477	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146	-178.9	-72.3	176	-3.6	0	0	111.9	Y576 Y577 R580	Y576-Q582 WeakPolarHBondContact CA-O 3.46Å; Y577-Q582 PolarHBondContact N-O 3.42Å; Y577-Q582 PolarHBondContact O-N 3.39Å; R580-Q582 HydrophobicContact CG-CB 4.08Å; R580-Q582 HydrophobicContact CG-CG 4.41Å; R580-Q582 PolarHBondContact O-N 3.02Å
583	W	89	Confident	90.5	Very high	48 Å²	48	48.7 Å²	48.7	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	141.4	170.7	-70.5	90.4	0	0	0	110.4	V525 S540 F541 I557 I559 Q574 V575 Y576	V525-W583 HydrophobicContact CB-CZ2 4.24Å; V525-W583 HydrophobicContact CG2-CH2 4.04Å; V525-W583 HydrophobicContact CG2-CZ2 3.42Å; V525-W583 VanDerWaalsContact CG2-CZ2 3.42Å; S540-W583 VanDerWaalsContact O-CD1 3.25Å; F541-W583 HydrophobicContact CB-CD2 3.8Å; F541-W583 HydrophobicContact CB-CE3 3.87Å; F541-W583 HydrophobicContact CB-CG 4.37Å; F541-W583 HydrophobicContact CB-CH2 4.23Å; F541-W583 HydrophobicContact CB-CZ2 4.19Å; F541-W583 HydrophobicContact CB-CZ3 4.07Å; F541-W583 AromaticContact CD1-CH2 3.98Å; F541-W583 HydrophobicContact CD1-CH2 3.98Å; F541-W583 AromaticContact CD1-CZ2 3.93Å; F541-W583 HydrophobicContact CD1-CZ2 3.93Å; F541-W583 HydrophobicContact CG-CH2 4.46Å; I557-W583 HydrophobicContact CG2-CH2 4.44Å; I559-W583 HydrophobicContact CG1-CH2 3.81Å; I559-W583 HydrophobicContact CG1-CZ3 3.76Å; Q574-W583 HydrophobicContact CB-CE3 3.98Å; Q574-W583 HydrophobicContact CB-CZ3 4.29Å; V575-W583 CarbonylContact O-C 3.49Å; V575-W583 WeakPolarHBondContact O-CA 3.37Å; Y576-W583 AromaticContact CD2-CD1 3.84Å; Y576-W583 HydrophobicContact CD2-CD2 4.12Å; Y576-W583 AromaticContact CD2-CE2 3.67Å; Y576-W583 HydrophobicContact CD2-CG 4.21Å; Y576-W583 HydrophobicContact CD2-CZ2 4.12Å; Y576-W583 AromaticContact CD2-NE1 3.47Å; Y576-W583 HydrophobicContact CG-CD2 4.42Å; Y576-W583 AromaticContact CG-CE2 3.95Å; Y576-W583 AromaticContact CG-CZ2 3.98Å; Y576-W583 HydrophobicContact CG-CZ2 3.98Å
584	E	90.2	Very high	90.3	Very high	71 Å²	71	48.9 Å²	48.9	33%	0.332	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	147.1	172.7	-64.8	-175.7	162.2	0	0	110.4	Q574 V575 Y577 R580	Q574-E584 CarbonylContact C-O 3.47Å; Q574-E584 WeakPolarHBondContact CA-O 3.47Å; V575-E584 PolarHBondContact N-O 3.4Å; V575-E584 PolarHBondContact O-N 3.05Å; Y577-E584 HydrophobicContact CE2-CB 4.18Å; Y577-E584 HydrophobicContact CE2-CG 4.25Å; Y577-E584 VanDerWaalsContact CE2-OE2 3.31Å; Y577-E584 WeakPolarHBondContact CE2-OE2 3.39Å; R580-E584 IonicContact CZ-OE1 2.67Å; R580-E584 IonicContact CZ-OE2 3.58Å; R580-E584 IonicContact NH1-OE1 3.8Å; R580-E584 PolarHBondContact NH1-OE1 3.27Å; R580-E584 IonicContact NH1-OE2 2.76Å; R580-E584 IonicContact NH2-OE1 2.83Å; R580-E584 PolarHBondContact NH2-OE1 3.47Å; R580-E584 IonicContact NH2-OE2 2.75Å; R580-E584 PolarHBondContact NH2-OE2 2.98Å
585	E	89.1	Confident	89.9	Confident	122 Å²	122	51 Å²	51	57%	0.57	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	135.2	167	-164.9	-178.6	165.1	0	0	109.2	V573	V573-E585 WeakPolarHBondContact O-CA 3.41Å
586	V	89.3	Confident	89.8	Confident	19 Å²	19	52 Å²	52	12%	0.115	28%	0.282	C	S	.	.			trans	-120.5	-175.2	178	-60.4	0	0	0	0	110.2	V573 V575 P588	V573-V586 HydrophobicContact CB-CG2 3.74Å; V573-V586 HydrophobicContact CG1-CG2 3.4Å; V573-V586 VanDerWaalsContact CG1-CG2 3.4Å; V573-V586 PolarHBondContact O-N 3.48Å; V575-V586 HydrophobicContact CB-CG1 4.14Å; V575-V586 HydrophobicContact CG2-CB 4.17Å; V575-V586 HydrophobicContact CG2-CG1 3.5Å; V575-V586 HydrophobicContact CG2-CG2 3.54Å; V586-P588 VanDerWaalsContact O-N 3.13Å
587	T	90.3	Very high	89.9	Confident	50 Å²	50	53.1 Å²	53.1	31%	0.307	29%	0.287	S	S	.	.	S	Bend	trans	-50.6	121.2	-179.4	-50.6	0	0	0	0	111	D318 W320	D318-T587 PolarHBondContact O-OG1 2.91Å; D318-T587 VanDerWaalsContact OD1-CB 3.31Å; D318-T587 WeakPolarHBondContact OD1-CB 3.46Å; D318-T587 PolarHBondContact OD1-OG1 2.99Å; W320-T587 PolarHBondContact NE1-O 2.78Å
588	P	93.1	Very high	90	Very high	58 Å²	58	52 Å²	52	38%	0.377	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-65.9	156.5	-177.9	27.9	-35.3	0	0	0	110.8	W320 D571 V586	W320-P588 PolarHBondContact NE1-O 3.29Å; D571-P588 HydrophobicContact CB-CB 4.46Å; D571-P588 CarbonylContact O-C 3.51Å; D571-P588 WeakPolarHBondContact O-CA 3.43Å; D571-P588 WeakPolarHBondContact O-CB 3.41Å; V586-P588 VanDerWaalsContact O-N 3.13Å
589	M	94.6	Very high	90.4	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.015	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-57.4	153.4	173.7	-60.6	-168.6	-65.3	0	0	110.3	I298 W320 L560 D571 V573 R591 L593 F596	I298-M589 HydrophobicContact CD1-CG 4.45Å; I298-M589 HydrophobicContact CD1-SD 3.54Å; I298-M589 VanDerWaalsContact CD1-SD 3.54Å; W320-M589 HydrophobicContact CH2-CG 3.76Å; W320-M589 HydrophobicContact CH2-SD 4.42Å; W320-M589 HydrophobicContact CZ2-CB 4.34Å; W320-M589 HydrophobicContact CZ2-CG 3.65Å; W320-M589 HydrophobicContact CZ3-CG 4.47Å; L560-M589 HydrophobicContact CB-SD 4Å; D571-M589 HydrophobicContact CB-CB 4.12Å; D571-M589 PolarHBondContact O-N 3.44Å; V573-M589 HydrophobicContact CG2-CG 3.65Å; M589-R591 WeakPolarHBondContact CB-O 2.9Å; M589-R591 PolarHBondContact O-N 3.27Å; M589-L593 HydrophobicContact CE-CB 4.3Å; M589-F596 HydrophobicContact CE-CE1 4.41Å; M589-F596 HydrophobicContact CE-CZ 4.37Å; M589-F596 HydrophobicContact SD-CZ 4.1Å
590	P	93.8	Very high	90.8	Very high	65 Å²	65	49.8 Å²	49.8	42%	0.422	25%	0.251	S	S	.	.	S	Bend	trans	-59.4	-16.9	175.9	-26.4	36.1	0	0	0	114.2	F311 W320	F311-P590 HydrophobicContact CD1-CB 4.18Å; F311-P590 HydrophobicContact CD1-CG 3.88Å; F311-P590 HydrophobicContact CE1-CB 3.96Å; F311-P590 HydrophobicContact CE1-CG 4.19Å; F311-P590 HydrophobicContact CG-CG 4.22Å; F311-P590 HydrophobicContact CZ-CB 4.34Å; W320-P590 HydrophobicContact CB-CG 3.74Å; W320-P590 HydrophobicContact CD2-CG 4.31Å; W320-P590 HydrophobicContact CE3-CG 4.33Å; W320-P590 HydrophobicContact CG-CG 4.07Å
591	R	92.4	Very high	91.1	Very high	138 Å²	138	44.9 Å²	44.9	52%	0.521	23%	0.232	S	C	.	.	S	Bend	trans	-159.4	146.7	-179.2	178.6	172.6	-65.2	-110.5	-5.1	110.4	F311 M589 L593	F311-R591 HydrophobicContact CZ-CB 4.31Å; M589-R591 WeakPolarHBondContact CB-O 2.9Å; M589-R591 PolarHBondContact O-N 3.27Å; R591-L593 HydrophobicContact CG-CD2 4.34Å; R591-L593 PolarHBondContact O-N 3.38Å
592	G	91.8	Very high	91.4	Very high	22 Å²	22	43.5 Å²	43.5	23%	0.227	22%	0.223	C	C	.	.			trans	-68.8	123.5	172.9	0	0	0	0	0	110.7	T570	T570-G592 VanDerWaalsContact C-CA 3.5Å; T570-G592 WeakPolarHBondContact O-CA 3.38Å
593	L	90.8	Very high	91.6	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.2	C	C	.	.			trans	-129.7	147.4	-180	-64.9	-176.4	0	0	0	110.5	I298 K300 H309 F311 G562 I569 T570 M589 R591 F596	I298-L593 HydrophobicContact CG2-CD1 3.75Å; K300-L593 HydrophobicContact CB-CD1 4.41Å; K300-L593 HydrophobicContact CD-CD2 3.99Å; H309-L593 HydrophobicContact CB-CD1 4.29Å; H309-L593 HydrophobicContact CB-CD2 4.3Å; F311-L593 HydrophobicContact CD2-CD1 4.23Å; F311-L593 HydrophobicContact CE2-CD1 3.74Å; F311-L593 HydrophobicContact CE2-CG 4.49Å; G562-L593 PolarHBondContact N-O 3.35Å; I569-L593 VanDerWaalsContact CG2-C 3.49Å; T570-L593 PolarHBondContact O-N 2.9Å; M589-L593 HydrophobicContact CE-CB 4.3Å; R591-L593 HydrophobicContact CG-CD2 4.34Å; R591-L593 PolarHBondContact O-N 3.38Å; L593-F596 HydrophobicContact CB-CD1 3.46Å; L593-F596 VanDerWaalsContact CB-CD1 3.46Å; L593-F596 HydrophobicContact CB-CE1 3.85Å; L593-F596 HydrophobicContact CB-CG 4.15Å; L593-F596 HydrophobicContact CD1-CB 4.37Å; L593-F596 HydrophobicContact CD1-CD1 4.48Å; L593-F596 HydrophobicContact CD1-CG 4.38Å; L593-F596 WeakPolarHBondContact O-CE1 3.45Å
594	T	88.3	Confident	91.6	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.031	19%	0.192	C	C	.	.	S	Bend	trans	-129.6	152.3	167.6	-176.7	0	0	0	0	108.4	K300 N547 D563 I569 F596	K300-T594 WeakPolarHBondContact CD-O 3.45Å; K300-T594 WeakPolarHBondContact CE-O 3.45Å; K300-T594 PolarHBondContact NZ-O 3.19Å; N547-T594 WeakPolarHBondContact CB-OG1 3.46Å; D563-T594 WeakPolarHBondContact OD1-CB 3.41Å; D563-T594 PolarHBondContact OD1-OG1 3.11Å; I569-T594 HydrophobicContact CD1-CG2 4.01Å; I569-T594 HydrophobicContact CG1-CG2 4.26Å; I569-T594 HydrophobicContact CG2-CG2 4.48Å; T594-F596 PolarHBondContact O-N 3.13Å
595	E	82.9	Confident	91.3	Very high	52 Å²	52	38.4 Å²	38.4	24%	0.243	20%	0.196	C	C	.	.	S	Bend	trans	56.6	46.7	175.1	-58.7	166.2	150.2	0	0	113.3	A360 I361 N547	A360-E595 WeakPolarHBondContact CA-OE1 3.43Å; A360-E595 WeakPolarHBondContact CA-OE2 3.36Å; A360-E595 WeakPolarHBondContact CB-OE1 3.49Å; A360-E595 WeakPolarHBondContact CB-OE2 3.48Å; I361-E595 PolarHBondContact N-OE1 3.06Å; N547-E595 HydrophobicContact CB-CG 3.67Å; N547-E595 PolarHBondContact O-N 3.49Å
596	F	90.5	Very high	91.1	Very high	19 Å²	19	36.5 Å²	36.5	8%	0.083	18%	0.184	C	C	.	.			trans	-109.1	156.6	179.3	59.4	-89.8	0	0	0	111.3	I298 K300 L560 M589 L593 T594 C598	I298-F596 HydrophobicContact CB-CD2 4.41Å; I298-F596 HydrophobicContact CD1-CD2 4.28Å; I298-F596 HydrophobicContact CD1-CE2 3.75Å; I298-F596 HydrophobicContact CD1-CZ 4.42Å; I298-F596 HydrophobicContact CG1-CD2 4.18Å; I298-F596 HydrophobicContact CG1-CE2 4Å; I298-F596 HydrophobicContact CG2-CB 4.33Å; I298-F596 HydrophobicContact CG2-CD2 3.59Å; I298-F596 HydrophobicContact CG2-CE2 4.13Å; I298-F596 HydrophobicContact CG2-CG 4.14Å; K300-F596 HydrophobicContact CB-CB 3.79Å; K300-F596 HydrophobicContact CD-CB 4.37Å; K300-F596 HydrophobicContact CG-CB 4.25Å; L560-F596 HydrophobicContact CB-CE2 4.45Å; L560-F596 HydrophobicContact CB-CZ 3.99Å; L560-F596 VanDerWaalsContact O-CZ 3.27Å; L560-F596 WeakPolarHBondContact O-CZ 3.44Å; M589-F596 HydrophobicContact CE-CE1 4.41Å; M589-F596 HydrophobicContact CE-CZ 4.37Å; M589-F596 HydrophobicContact SD-CZ 4.1Å; L593-F596 HydrophobicContact CB-CD1 3.46Å; L593-F596 VanDerWaalsContact CB-CD1 3.46Å; L593-F596 HydrophobicContact CB-CE1 3.85Å; L593-F596 HydrophobicContact CB-CG 4.15Å; L593-F596 HydrophobicContact CD1-CB 4.37Å; L593-F596 HydrophobicContact CD1-CD1 4.48Å; L593-F596 HydrophobicContact CD1-CG 4.38Å; L593-F596 WeakPolarHBondContact O-CE1 3.45Å; T594-F596 PolarHBondContact O-N 3.13Å; F596-C598 HydrophobicContact CD2-CB 4.1Å; F596-C598 HydrophobicContact CE2-CB 3.85Å
597	H	92.6	Very high	91	Very high	28 Å²	28	38.9 Å²	38.9	13%	0.13	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.8	169.7	-64.1	-69.1	0	0	0	109.8	I298 H299 D334 S338 L340	I298-H597 VanDerWaalsContact CA-O 3.31Å; I298-H597 WeakPolarHBondContact CA-O 3.48Å; H299-H597 PolarHBondContact N-O 2.66Å; H299-H597 WeakPolarHBondContact O-CB 3.5Å; H299-H597 PolarHBondContact O-N 3.23Å; D334-H597 IonicContact OD1-CD2 2.9Å; D334-H597 IonicContact OD1-CE1 3.85Å; D334-H597 IonicContact OD1-NE2 3.86Å; D334-H597 PolarHBondContact OD1-NE2 2.63Å; S338-H597 PolarHBondContact O-CE1 2.84Å; L340-H597 HydrophobicContact CB-CB 3.81Å; L340-H597 HydrophobicContact CD1-CB 4.2Å; L340-H597 HydrophobicContact CG-CB 4.45Å; L340-H597 PolarHBondContact N-ND1 3.11Å
598	C	93.7	Very high	91.1	Very high	13 Å²	13	37.8 Å²	37.8	9%	0.088	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	119.3	177.1	-169.2	0	0	0	0	109.3	I296 Y297 V551 F596	I296-C598 WeakPolarHBondContact CG2-SG 3.36Å; Y297-C598 WeakPolarHBondContact O-CA 3.48Å; V551-C598 HydrophobicContact CG1-CB 4.43Å; F596-C598 HydrophobicContact CD2-CB 4.1Å; F596-C598 HydrophobicContact CE2-CB 3.85Å
599	Q	95.6	Very high	90.9	Very high	34 Å²	34	37 Å²	37	16%	0.159	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	151.4	-178.1	-70	-61.3	-21.4	0	0	111.8	Y297 L340 T342	Y297-Q599 PolarHBondContact N-O 2.9Å; Y297-Q599 PolarHBondContact O-N 3.06Å; L340-Q599 HydrophobicContact CD2-CB 4.08Å; L340-Q599 HydrophobicContact CD2-CG 3.58Å; L340-Q599 VanDerWaalsContact O-CG 3.26Å; L340-Q599 WeakPolarHBondContact O-CG 3.33Å; L340-Q599 PolarHBondContact O-NE2 2.92Å; T342-Q599 HydrophobicContact CG2-CB 3.7Å; T342-Q599 HydrophobicContact CG2-CG 4.4Å
600	I	95.3	Very high	90.6	Very high	25 Å²	25	37.2 Å²	37.2	13%	0.128	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131.5	167.6	-60.6	-63	0	0	0	109.2	Y295 I296 T342 V551 M553	Y295-I600 WeakPolarHBondContact O-CA 3.31Å; I296-I600 HydrophobicContact CB-CD1 4.47Å; I296-I600 HydrophobicContact CG1-CD1 3.76Å; T342-I600 WeakPolarHBondContact CB-O 3.17Å; T342-I600 WeakPolarHBondContact CG2-O 3.21Å; T342-I600 PolarHBondContact OG1-O 3.12Å; V551-I600 HydrophobicContact CB-CD1 3.87Å; V551-I600 HydrophobicContact CB-CG1 3.87Å; V551-I600 HydrophobicContact CG1-CD1 4.39Å; V551-I600 HydrophobicContact CG1-CG1 4.23Å; V551-I600 HydrophobicContact CG2-CD1 3.75Å; V551-I600 HydrophobicContact CG2-CG1 4.33Å; M553-I600 HydrophobicContact CB-CD1 4.14Å; M553-I600 HydrophobicContact CB-CG1 4.33Å; M553-I600 HydrophobicContact SD-CG2 4.1Å
601	I	94.4	Very high	90	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.2	168.1	-170.1	164.3	0	0	0	110.1	S294 Y295 T342 M347 P381 F603 W610	S294-I601 WeakPolarHBondContact CA-O 3.24Å; Y295-I601 PolarHBondContact N-O 3.49Å; Y295-I601 PolarHBondContact O-N 3.04Å; T342-I601 HydrophobicContact CG2-CB 3.95Å; T342-I601 HydrophobicContact CG2-CD1 4.43Å; T342-I601 HydrophobicContact CG2-CG1 4.39Å; M347-I601 HydrophobicContact CE-CB 4.11Å; M347-I601 HydrophobicContact CE-CD1 3.53Å; M347-I601 HydrophobicContact CE-CG1 4.42Å; M347-I601 HydrophobicContact CE-CG2 3.86Å; M347-I601 HydrophobicContact CG-CD1 4.12Å; P381-I601 HydrophobicContact CG-CD1 4.06Å; I601-F603 HydrophobicContact CD1-CE1 3.82Å; I601-F603 HydrophobicContact CD1-CE2 4.29Å; I601-F603 HydrophobicContact CD1-CZ 3.49Å; I601-F603 VanDerWaalsContact CD1-CZ 3.49Å; I601-F603 HydrophobicContact CG1-CE1 4.18Å; I601-F603 HydrophobicContact CG1-CE2 4.14Å; I601-F603 HydrophobicContact CG1-CZ 3.79Å; I601-F603 HydrophobicContact CG2-CE2 3.86Å; I601-F603 HydrophobicContact CG2-CZ 4.09Å; I601-W610 HydrophobicContact CG2-CH2 3.86Å; I601-W610 HydrophobicContact CG2-CZ3 3.63Å
602	S	93.1	Very high	88.6	Confident	37 Å²	37	35.3 Å²	35.3	26%	0.259	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.9	178.6	-53.4	0	0	0	0	110.2	Q293 S294	Q293-S602 CarbonylContact O-C 3.45Å; Q293-S602 WeakPolarHBondContact O-CA 3.49Å; S294-S602 WeakPolarHBondContact OG-CB 3.43Å; S294-S602 PolarHBondContact OG-OG 3.01Å
603	F	92.5	Very high	86.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	144.4	175.6	-58.4	-76.3	0	0	0	110.2	T292 Q293 Y295 E345 P381 V382 I601 R605 D608 P609 W610	T292-F603 CarbonylContact C-O 3.59Å; T292-F603 WeakPolarHBondContact CA-O 3.16Å; T292-F603 WeakPolarHBondContact CB-O 3.33Å; Q293-F603 PolarHBondContact N-O 2.85Å; Q293-F603 PolarHBondContact O-N 3.29Å; Y295-F603 AromaticContact CD2-CD2 3.97Å; Y295-F603 HydrophobicContact CD2-CD2 3.97Å; Y295-F603 HydrophobicContact CD2-CE2 4.17Å; Y295-F603 HydrophobicContact CE2-CD2 4.06Å; E345-F603 HydrophobicContact CB-CD1 3.87Å; E345-F603 HydrophobicContact CB-CE1 4.1Å; E345-F603 HydrophobicContact CG-CD1 4.04Å; P381-F603 HydrophobicContact CB-CE1 4.06Å; P381-F603 HydrophobicContact CB-CZ 3.74Å; P381-F603 HydrophobicContact CG-CE1 4.21Å; P381-F603 HydrophobicContact CG-CZ 3.89Å; V382-F603 HydrophobicContact CG2-CD1 3.87Å; V382-F603 HydrophobicContact CG2-CE1 3.91Å; I601-F603 HydrophobicContact CD1-CE1 3.82Å; I601-F603 HydrophobicContact CD1-CE2 4.29Å; I601-F603 HydrophobicContact CD1-CZ 3.49Å; I601-F603 VanDerWaalsContact CD1-CZ 3.49Å; I601-F603 HydrophobicContact CG1-CE1 4.18Å; I601-F603 HydrophobicContact CG1-CE2 4.14Å; I601-F603 HydrophobicContact CG1-CZ 3.79Å; I601-F603 HydrophobicContact CG2-CE2 3.86Å; I601-F603 HydrophobicContact CG2-CZ 4.09Å; F603-R605 PolarHBondContact O-N 2.93Å; F603-D608 HydrophobicContact CB-CB 4.01Å; F603-P609 HydrophobicContact CE1-CG 4.21Å; F603-P609 HydrophobicContact CE2-CG 4.2Å; F603-P609 HydrophobicContact CZ-CG 4.02Å; F603-W610 HydrophobicContact CD2-CE3 4.41Å; F603-W610 HydrophobicContact CE2-CD2 4.22Å; F603-W610 AromaticContact CE2-CE3 3.63Å; F603-W610 HydrophobicContact CE2-CE3 3.63Å; F603-W610 AromaticContact CE2-CH2 3.9Å; F603-W610 HydrophobicContact CE2-CH2 3.9Å; F603-W610 HydrophobicContact CE2-CZ2 4.46Å; F603-W610 AromaticContact CE2-CZ3 3.47Å; F603-W610 HydrophobicContact CE2-CZ3 3.47Å; F603-W610 VanDerWaalsContact CE2-CZ3 3.47Å; F603-W610 HydrophobicContact CZ-CE3 4.46Å; F603-W610 HydrophobicContact CZ-CH2 4.03Å; F603-W610 HydrophobicContact CZ-CZ2 4.41Å; F603-W610 HydrophobicContact CZ-CZ3 4.08Å
604	N	89.3	Confident	83.8	Confident	3 Å²	3	52 Å²	52	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	136.8	160.7	-173.1	-61	0	0	0	109	H244 E345 Y606 R607 D608	H244-N604 PolarHBondContact ND1-ND2 2.84Å; E345-N604 WeakPolarHBondContact OE1-CB 3.49Å; E345-N604 PolarHBondContact OE1-N 3.46Å; N604-Y606 PolarHBondContact O-N 3.3Å; N604-Y606 WeakPolarHBondContact OD1-CD2 3.45Å; N604-Y606 PolarHBondContact OD1-N 3.41Å; N604-R607 CarbonylContact O-C 3.56Å; N604-R607 WeakPolarHBondContact O-CA 3.5Å; N604-R607 PolarHBondContact O-N 3.09Å; N604-D608 PolarHBondContact O-N 2.88Å
605	R	84.6	Confident	83.6	Confident	111 Å²	111	54.4 Å²	54.4	42%	0.419	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-51.2	-33.7	-179.7	-77	178	174.2	177.9	-5	114.1	P209 T291 F603 R607	P209-R605 PolarHBondContact O-NH1 3.28Å; T291-R605 WeakPolarHBondContact O-CG 3.43Å; T291-R605 PolarHBondContact O-N 3.34Å; T291-R605 VanDerWaalsContact O-N 3.15Å; F603-R605 PolarHBondContact O-N 2.93Å; R605-R607 PolarHBondContact O-N 3.37Å
606	Y	85.5	Confident	83.7	Confident	81 Å²	81	54.5 Å²	54.5	32%	0.318	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-74.4	-11.9	178.1	-60.5	-66.6	0	0	0	114.5	S210 E212 L245 P246 N604	S210-Y606 WeakPolarHBondContact CB-OH 3.43Å; S210-Y606 PolarHBondContact OG-OH 3.08Å; S210-Y606 VanDerWaalsContact OG-OH 3.1Å; E212-Y606 WeakPolarHBondContact CB-OH 3.46Å; E212-Y606 PolarHBondContact OE2-OH 3.11Å; E212-Y606 VanDerWaalsContact OE2-OH 3.13Å; L245-Y606 HydrophobicContact CD2-CE2 3.87Å; P246-Y606 HydrophobicContact CG-CD1 3.94Å; P246-Y606 HydrophobicContact CG-CD2 4.23Å; P246-Y606 HydrophobicContact CG-CG 3.67Å; N604-Y606 PolarHBondContact O-N 3.3Å; N604-Y606 WeakPolarHBondContact OD1-CD2 3.45Å; N604-Y606 PolarHBondContact OD1-N 3.41Å
607	R	87.1	Confident	83.3	Confident	69 Å²	69	56.4 Å²	56.4	26%	0.26	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-124.9	9.1	-175.3	-58.2	-167.2	72	-161	3.7	112.5	G282 E345 V382 N604 R605 P609	G282-R607 VanDerWaalsContact N-NH1 3.11Å; E345-R607 IonicContact OE2-CZ 3.3Å; E345-R607 VanDerWaalsContact OE2-CZ 3.3Å; E345-R607 IonicContact OE2-NE 3.78Å; E345-R607 IonicContact OE2-NH1 3.97Å; E345-R607 PolarHBondContact OE2-NH1 3.27Å; V382-R607 HydrophobicContact CG1-CB 4.39Å; V382-R607 WeakPolarHBondContact CG2-O 3.42Å; N604-R607 CarbonylContact O-C 3.56Å; N604-R607 WeakPolarHBondContact O-CA 3.5Å; N604-R607 PolarHBondContact O-N 3.09Å; R605-R607 PolarHBondContact O-N 3.37Å; R607-P609 VanDerWaalsContact O-CD 3.25Å; R607-P609 WeakPolarHBondContact O-CD 3.5Å
608	D	90.6	Very high	82.7	Confident	28 Å²	28	58.1 Å²	58.1	15%	0.15	31%	0.309	C	S	.	.			trans	-70.9	112	-178.2	-171.4	-10.2	0	0	0	110.3	Q293 Y295 F603 N604 W610 G611	Q293-D608 WeakPolarHBondContact CB-OD2 3.47Å; Q293-D608 WeakPolarHBondContact CG-OD2 3.29Å; Y295-D608 WeakPolarHBondContact CE2-OD2 3.31Å; Y295-D608 PolarHBondContact OH-OD1 3.13Å; Y295-D608 PolarHBondContact OH-OD2 2.77Å; F603-D608 HydrophobicContact CB-CB 4.01Å; N604-D608 PolarHBondContact O-N 2.88Å; D608-W610 PolarHBondContact O-N 3.15Å; D608-W610 PolarHBondContact OD1-N 3.04Å; D608-G611 VanDerWaalsContact CG-N 3.28Å; D608-G611 PolarHBondContact OD1-N 3.37Å; D608-G611 VanDerWaalsContact OD1-N 3.12Å
609	P	89.3	Confident	82	Confident	41 Å²	41	60.9 Å²	60.9	27%	0.266	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-13.4	178.8	31.4	-32.5	0	0	0	112.5	P381 F603 R607	P381-P609 HydrophobicContact CB-CG 4.02Å; F603-P609 HydrophobicContact CE1-CG 4.21Å; F603-P609 HydrophobicContact CE2-CG 4.2Å; F603-P609 HydrophobicContact CZ-CG 4.02Å; R607-P609 VanDerWaalsContact O-CD 3.25Å; R607-P609 WeakPolarHBondContact O-CD 3.5Å
610	W	88.4	Confident	81.1	Confident	8 Å²	8	62.7 Å²	62.7	3%	0.03	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	3.5	-175.2	-50.7	-35.7	0	0	0	112.9	Y295 Y297 C312 R321 L323 M347 P381 I601 F603 D608	Y295-W610 AromaticContact CD1-CE3 3.82Å; Y295-W610 HydrophobicContact CD1-CE3 3.82Å; Y295-W610 HydrophobicContact CD1-CZ3 4.45Å; Y295-W610 AromaticContact CD2-CE3 3.6Å; Y295-W610 HydrophobicContact CD2-CE3 3.6Å; Y295-W610 HydrophobicContact CD2-CZ3 4.02Å; Y295-W610 HydrophobicContact CE1-CB 4.03Å; Y295-W610 HydrophobicContact CE1-CE3 4.2Å; Y295-W610 HydrophobicContact CE2-CB 4.4Å; Y295-W610 AromaticContact CE2-CE3 3.99Å; Y295-W610 HydrophobicContact CE2-CE3 3.99Å; Y295-W610 AromaticContact CG-CE3 3.5Å; Y295-W610 HydrophobicContact CG-CE3 3.5Å; Y295-W610 AromaticContact CG-CZ3 3.82Å; Y295-W610 HydrophobicContact CG-CZ3 3.82Å; Y295-W610 PolarHBondContact OH-O 2.85Å; Y297-W610 AromaticContact CD2-CH2 3.6Å; Y297-W610 HydrophobicContact CD2-CH2 3.6Å; Y297-W610 HydrophobicContact CD2-CZ2 4.06Å; Y297-W610 HydrophobicContact CE2-CH2 4.23Å; Y297-W610 HydrophobicContact CE2-CZ2 4.26Å; Y297-W610 HydrophobicContact CG-CH2 4.45Å; C312-W610 HydrophobicContact CB-CD2 4.24Å; C312-W610 HydrophobicContact CB-CE3 3.78Å; C312-W610 HydrophobicContact CB-CH2 4.23Å; C312-W610 HydrophobicContact CB-CZ3 3.75Å; R321-W610 PolarHBondContact NH1-O 2.61Å; R321-W610 PolarHBondContact NH2-O 2.92Å; L323-W610 HydrophobicContact CD1-CD2 4.44Å; L323-W610 HydrophobicContact CD1-CH2 4.29Å; L323-W610 HydrophobicContact CD1-CZ2 3.54Å; L323-W610 HydrophobicContact CD2-CG 4.35Å; M347-W610 HydrophobicContact CE-CH2 4.17Å; P381-W610 HydrophobicContact CB-CH2 4.5Å; P381-W610 HydrophobicContact CB-CZ2 3.9Å; P381-W610 HydrophobicContact CG-CZ2 4.39Å; I601-W610 HydrophobicContact CG2-CH2 3.86Å; I601-W610 HydrophobicContact CG2-CZ3 3.63Å; F603-W610 HydrophobicContact CD2-CE3 4.41Å; F603-W610 HydrophobicContact CE2-CD2 4.22Å; F603-W610 AromaticContact CE2-CE3 3.63Å; F603-W610 HydrophobicContact CE2-CE3 3.63Å; F603-W610 AromaticContact CE2-CH2 3.9Å; F603-W610 HydrophobicContact CE2-CH2 3.9Å; F603-W610 HydrophobicContact CE2-CZ2 4.46Å; F603-W610 AromaticContact CE2-CZ3 3.47Å; F603-W610 HydrophobicContact CE2-CZ3 3.47Å; F603-W610 VanDerWaalsContact CE2-CZ3 3.47Å; F603-W610 HydrophobicContact CZ-CE3 4.46Å; F603-W610 HydrophobicContact CZ-CH2 4.03Å; F603-W610 HydrophobicContact CZ-CZ2 4.41Å; F603-W610 HydrophobicContact CZ-CZ3 4.08Å; D608-W610 PolarHBondContact O-N 3.15Å; D608-W610 PolarHBondContact OD1-N 3.04Å
611	G	80.9	Confident	80.1	Confident	31 Å²	31	65.4 Å²	65.4	32%	0.32	35%	0.348	S	S	.	.	S	Bend	trans	-62.6	152.9	167.2	0	0	0	0	0	110.7	D608 A613	D608-G611 VanDerWaalsContact CG-N 3.28Å; D608-G611 PolarHBondContact OD1-N 3.37Å; D608-G611 VanDerWaalsContact OD1-N 3.12Å; G611-A613 PolarHBondContact O-N 3.1Å
612	D	64.4	Low	79	Confident	132 Å²	132	70.3 Å²	70.3	71%	0.706	37%	0.374	S	S	*	.			trans	-69.5	128.8	164.4	-65.2	-27.8	0	0	0	107.3	R321 E614	R321-D612 IonicContact NH2-OD1 3.66Å; R321-D612 PolarHBondContact NH2-OD1 3.44Å; D612-E614 PolarHBondContact O-N 2.99Å
613	A	46.2	Very low	77.9	Confident	105 Å²	105	73.1 Å²	73.1	87%	0.868	38%	0.384	S	S	*	.			trans	-62	111.5	176.8	0	0	0	0	0	108.7	G611	G611-A613 PolarHBondContact O-N 3.1Å
614	E	35.5	Very low	76.5	Confident	268 Å²	268	79.7 Å²	79.7	100%	1.252	42%	0.419	S	S	*	.			trans	-61.5	0	170.8	-77.3	-167.5	159.3	0	0	112.5	D612	D612-E614 PolarHBondContact O-N 2.99Å

Retrieved 614 of 614 residues in 458.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).