A0A087Y9M3_POEFO Loading...

SUZ12 polycomb repressive complex 2 subunit b

AlphaFold DB (A0A3B3U2M0), UniProt , Accession A0A087Y9M3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 705 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	24.2	Very low	27.9	Very low	235 Å²	235	154.1 Å²	154.1	100%	1.158	86%	0.859	S	S	*	*				0	141	0	-79.5	-77.8	-177.7	0	0	107.4
2	P	36.9	Very low	27.9	Very low	111 Å²	111	151.8 Å²	151.8	72%	0.721	86%	0.861	S	S	*	*				-117.8	152.2	-63.7	10.4	13.1	0	0	0	110.5
3	S	26.6	Very low	27.8	Very low	120 Å²	120	145.5 Å²	145.5	84%	0.839	85%	0.849	S	S	*	*				65.7	115.2	94.2	-150.7	0	0	0	0	116.4
4	A	27.7	Very low	27.7	Very low	90 Å²	90	142.2 Å²	142.2	74%	0.744	85%	0.848	S	S	*	*			trans	166.9	105.3	137.1	0	0	0	0	0	109
5	R	30	Very low	27.6	Very low	243 Å²	243	141 Å²	141	92%	0.917	85%	0.849	S	S	*	*				42.5	107.3	96.6	-80.4	-173	175.2	-178.6	-1.1	114.2
6	N	25.6	Very low	27.6	Very low	162 Å²	162	139.9 Å²	139.9	87%	0.866	85%	0.848	S	S	*	*				-154.4	139.4	123.9	-128.9	-1.8	0	0	0	113.2
7	S	30.1	Very low	27.6	Very low	113 Å²	113	143.4 Å²	143.4	79%	0.79	85%	0.849	S	S	*	*			trans	-71.1	137.6	177.4	48.2	0	0	0	0	112.3
8	G	26.3	Very low	27.7	Very low	70 Å²	70	140.8 Å²	140.8	72%	0.722	85%	0.846	S	S	*	*			trans	-150.7	108.3	168.3	0	0	0	0	0	110.3
9	H	26.8	Very low	27.9	Very low	202 Å²	202	142.3 Å²	142.3	94%	0.935	85%	0.849	S	S	*	*			trans	-53.5	130.8	168.9	-99.5	-82.1	0	0	0	111
10	I	27	Very low	27.8	Very low	163 Å²	163	139 Å²	139	84%	0.836	85%	0.846	S	S	*	*			trans	-126.9	120.8	158.9	-63.5	-178.9	0	0	0	108.7
11	M	25.8	Very low	27.8	Very low	186 Å²	186	136.7 Å²	136.7	92%	0.916	84%	0.841	S	S	*	*			trans	-55.9	127.6	173.3	-69.2	-98.7	-130	0	0	111.2
12	S	28.3	Very low	28	Very low	127 Å²	127	132 Å²	132	89%	0.888	83%	0.826	S	S	*	*			trans	-101.6	114.7	160.8	-171.3	0	0	0	0	108.1
13	G	25.7	Very low	27.5	Very low	69 Å²	69	137.2 Å²	137.2	71%	0.711	83%	0.832	S	S	*	*			trans	-86	143.3	-179	0	0	0	0	0	113.3
14	A	27.1	Very low	27.8	Very low	100 Å²	100	136.9 Å²	136.9	83%	0.826	83%	0.827	S	S	*	*			trans	64.4	86.8	146.9	0	0	0	0	0	119.1
15	S	25.3	Very low	28.2	Very low	124 Å²	124	137.3 Å²	137.3	87%	0.867	83%	0.831	S	S	*	*			trans	-91	129.1	149.5	-171.3	0	0	0	0	109.6	K17	S15-K17 PolarHBondContact O-N 3.2Å
16	C	28.3	Very low	28.2	Very low	123 Å²	123	130.9 Å²	130.9	83%	0.831	82%	0.823	S	S	*	*			trans	-76.9	105.7	-173.5	-40.5	0	0	0	0	111.4
17	K	27.8	Very low	28.4	Very low	200 Å²	200	127.9 Å²	127.9	87%	0.87	82%	0.815	S	S	*	*			trans	6.6	112.2	153.5	-61.8	178.9	179.3	176.8	0	118.3	S15	S15-K17 PolarHBondContact O-N 3.2Å
18	A	29.3	Very low	28.9	Very low	96 Å²	96	127.8 Å²	127.8	79%	0.793	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-78.3	143.9	148.9	0	0	0	0	0	110	G20	A18-G20 PolarHBondContact O-N 3.02Å
19	N	30.6	Very low	29.2	Very low	170 Å²	170	129.3 Å²	129.3	91%	0.909	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-54.2	127.3	-177.3	-74.3	-33.4	0	0	0	112.8
20	G	26.6	Very low	30	Very low	76 Å²	76	129.1 Å²	129.1	78%	0.784	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-79	125	179.2	0	0	0	0	0	112.5	A18	A18-G20 PolarHBondContact O-N 3.02Å
21	A	27.4	Very low	30.3	Very low	90 Å²	90	128 Å²	128	74%	0.744	81%	0.814	S	S	*	*			trans	-101.1	115.2	152.5	0	0	0	0	0	107.4	Y23	A21-Y23 PolarHBondContact O-N 3.21Å
22	V	28.5	Very low	31	Very low	137 Å²	137	123.9 Å²	123.9	83%	0.83	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-72	120.7	180	176.5	0	0	0	0	109
23	Y	27	Very low	31.9	Very low	220 Å²	220	124.3 Å²	124.3	86%	0.863	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-82.3	126.5	162.5	-72.3	-85.9	0	0	0	109	A21	A21-Y23 PolarHBondContact O-N 3.21Å
24	P	32.2	Very low	33.5	Very low	113 Å²	113	129.8 Å²	129.8	73%	0.734	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-82.3	122.7	160.8	30.4	-25.2	0	0	0	108.8	S26	P24-S26 PolarHBondContact O-N 3Å
25	A	36.3	Very low	35	Very low	100 Å²	100	134.2 Å²	134.2	83%	0.826	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-64.8	127.5	159.7	0	0	0	0	0	108.6
26	S	30.7	Very low	36.9	Very low	107 Å²	107	131.8 Å²	131.8	75%	0.748	79%	0.786	S	S	*	*			trans	-153.9	116.2	164.5	-84.7	0	0	0	0	111.3	P24	P24-S26 PolarHBondContact O-N 3Å
27	S	29.7	Very low	39.3	Very low	100 Å²	100	133.6 Å²	133.6	70%	0.699	78%	0.78	S	S	*	*			trans	28.3	127.8	145.6	57	0	0	0	0	119.8	V29	S27-V29 PolarHBondContact O-N 2.9Å
28	A	41	Very low	41.8	Very low	111 Å²	111	130.9 Å²	130.9	92%	0.917	77%	0.772	S	S	*	*			trans	-54.9	106.2	164.2	0	0	0	0	0	110.9
29	V	32.8	Very low	44.4	Very low	101 Å²	101	133.6 Å²	133.6	61%	0.612	77%	0.769	S	S	*	*			trans	-126.9	115	160.4	-172.5	0	0	0	0	106.2	S27 N31	S27-V29 PolarHBondContact O-N 2.9Å; V29-N31 VanDerWaalsContact C-N 3.32Å; V29-N31 PolarHBondContact O-N 3.01Å
30	M	43.8	Very low	46.9	Very low	199 Å²	199	131.6 Å²	131.6	98%	0.98	75%	0.754	S	S	*	*			trans	-60.6	93.6	172.7	-75	-176	172.5	0	0	109.1
31	N	33.2	Very low	49.7	Very low	140 Å²	140	132 Å²	132	75%	0.749	74%	0.737	S	S	*	*			trans	-86.9	118.5	167.9	-84.5	-26.2	0	0	0	108.7	V29 V33	V29-N31 VanDerWaalsContact C-N 3.32Å; V29-N31 PolarHBondContact O-N 3.01Å; N31-V33 PolarHBondContact O-N 3.07Å
32	S	40.8	Very low	52.5	Low	98 Å²	98	134.4 Å²	134.4	69%	0.685	73%	0.733	S	S	*	*			trans	-45.8	123.9	167.5	57.5	0	0	0	0	110.2	K34	S32-K34 PolarHBondContact O-N 2.81Å
33	V	46.3	Very low	55.4	Low	137 Å²	137	130.5 Å²	130.5	83%	0.83	72%	0.715	S	S	*	*			trans	-58	96.5	175.2	179.7	0	0	0	0	108.6	N31 K35	N31-V33 PolarHBondContact O-N 3.07Å; V33-K35 PolarHBondContact O-N 3.39Å
34	K	59.2	Low	58.4	Low	184 Å²	184	122 Å²	122	80%	0.8	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-63.4	121.8	168.7	-72.3	-176.4	179.3	177.9	0	106.4	S32	S32-K34 PolarHBondContact O-N 2.81Å
35	K	58.5	Low	61.2	Low	192 Å²	192	120.7 Å²	120.7	84%	0.835	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-49.7	129.4	173.8	-73.1	-179.9	177.2	176.9	0	108.3	V33 K37	V33-K35 PolarHBondContact O-N 3.39Å; K35-K37 PolarHBondContact O-N 3.44Å
36	P	65.5	Low	63.9	Low	73 Å²	73	120.1 Å²	120.1	47%	0.474	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-55.6	136.3	177.2	16.5	-24.4	0	0	0	109.1	M38 I41	P36-M38 PolarHBondContact O-N 3.49Å; P36-I41 HydrophobicContact CB-CD1 4.45Å; P36-I41 HydrophobicContact CB-CG1 4.13Å; P36-I41 HydrophobicContact CG-CD1 4.1Å; P36-I41 HydrophobicContact CG-CG1 4.06Å
37	K	77.9	Confident	67	Low	162 Å²	162	119.1 Å²	119.1	70%	0.704	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-56.6	140.7	178.7	-72.5	-177.9	176.8	-178.8	0	108.7	K35 E39 Q40 I41	K35-K37 PolarHBondContact O-N 3.44Å; K37-E39 PolarHBondContact O-N 2.81Å; K37-E39 VanDerWaalsContact O-N 3.12Å; K37-Q40 WeakPolarHBondContact O-CA 3.32Å; K37-Q40 WeakPolarHBondContact O-CB 3.15Å; K37-Q40 PolarHBondContact O-N 3.45Å; K37-I41 PolarHBondContact O-N 3.41Å
38	M	81.4	Confident	70.1	Confident	143 Å²	143	114.8 Å²	114.8	70%	0.704	60%	0.603	S	S	*	*	H	α-helix	trans	-50.9	-40.3	-177.3	-177.2	63.6	77.5	0	0	112.5	P36 Q40 I41 Q42	P36-M38 PolarHBondContact O-N 3.49Å; M38-Q40 VanDerWaalsContact C-N 3.29Å; M38-Q40 PolarHBondContact O-N 3.12Å; M38-I41 PolarHBondContact O-N 3.34Å; M38-Q42 PolarHBondContact O-N 3.35Å
39	E	83.5	Confident	72.7	Confident	152 Å²	152	113 Å²	113	71%	0.71	58%	0.578	S	S	*	*	H	α-helix	trans	-58.3	-37.8	176.5	-65.5	169	176.4	0	0	112.9	K37 Q42 A43	K37-E39 PolarHBondContact O-N 2.81Å; K37-E39 VanDerWaalsContact O-N 3.12Å; E39-Q42 PolarHBondContact O-N 3.09Å; E39-A43 WeakPolarHBondContact O-CB 3.27Å; E39-A43 PolarHBondContact O-N 2.81Å
40	Q	83.6	Confident	75.6	Confident	128 Å²	128	112.8 Å²	112.8	60%	0.598	57%	0.57	S	S	*	*	H	α-helix	trans	-71.7	-37.3	178.6	-171.1	176.1	9.1	0	0	111.8	K37 M38 Q42 D44	K37-Q40 WeakPolarHBondContact O-CA 3.32Å; K37-Q40 WeakPolarHBondContact O-CB 3.15Å; K37-Q40 PolarHBondContact O-N 3.45Å; M38-Q40 VanDerWaalsContact C-N 3.29Å; M38-Q40 PolarHBondContact O-N 3.12Å; Q40-Q42 VanDerWaalsContact C-N 3.34Å; Q40-D44 WeakPolarHBondContact O-CB 3.4Å; Q40-D44 PolarHBondContact O-N 3.23Å
41	I	83.6	Confident	78	Confident	84 Å²	84	104.6 Å²	104.6	43%	0.431	53%	0.534	S	S	.	.	H	α-helix	trans	-65.4	-42.3	174.8	-63.1	165.3	0	0	0	110	P36 K37 M38 D44 H45	P36-I41 HydrophobicContact CB-CD1 4.45Å; P36-I41 HydrophobicContact CB-CG1 4.13Å; P36-I41 HydrophobicContact CG-CD1 4.1Å; P36-I41 HydrophobicContact CG-CG1 4.06Å; K37-I41 PolarHBondContact O-N 3.41Å; M38-I41 PolarHBondContact O-N 3.34Å; I41-D44 PolarHBondContact O-N 3.48Å; I41-H45 WeakPolarHBondContact O-CB 3.33Å; I41-H45 PolarHBondContact O-N 2.96Å
42	Q	87.9	Confident	81.1	Confident	141 Å²	141	98.6 Å²	98.6	66%	0.659	50%	0.501	S	S	*	.	H	α-helix	trans	-65.9	-42.8	178.3	-170.5	167.2	13.4	0	0	111.7	M38 E39 Q40 H45 E46	M38-Q42 PolarHBondContact O-N 3.35Å; E39-Q42 PolarHBondContact O-N 3.09Å; Q40-Q42 VanDerWaalsContact C-N 3.34Å; Q42-H45 PolarHBondContact O-N 3.32Å; Q42-E46 WeakPolarHBondContact O-CB 3.3Å; Q42-E46 PolarHBondContact O-N 3.12Å
43	A	89	Confident	83.7	Confident	55 Å²	55	98.6 Å²	98.6	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-63.4	-43.2	175.1	0	0	0	0	0	112.7	E39 H45 E46 L47	E39-A43 WeakPolarHBondContact O-CB 3.27Å; E39-A43 PolarHBondContact O-N 2.81Å; A43-H45 VanDerWaalsContact C-N 3.34Å; A43-H45 PolarHBondContact O-N 3.23Å; A43-E46 PolarHBondContact O-N 3.16Å; A43-L47 WeakPolarHBondContact O-CG 3.38Å; A43-L47 PolarHBondContact O-N 3.1Å
44	D	89.1	Confident	86	Confident	41 Å²	41	99 Å²	99	22%	0.219	48%	0.481	C	S	.	.	H	α-helix	trans	-65.1	-37.3	176.7	-175	45.4	0	0	0	111.9	Q40 I41 F48 R416	Q40-D44 WeakPolarHBondContact O-CB 3.4Å; Q40-D44 PolarHBondContact O-N 3.23Å; I41-D44 PolarHBondContact O-N 3.48Å; D44-F48 PolarHBondContact O-N 3.07Å; D44-F48 VanDerWaalsContact O-N 3.07Å; D44-R416 IonicContact OD1-NH2 2.8Å; D44-R416 IonicContact OD2-CZ 3.53Å; D44-R416 IonicContact OD2-NH1 2.89Å; D44-R416 PolarHBondContact OD2-NH1 2.87Å; D44-R416 IonicContact OD2-NH2 3.54Å; D44-R416 PolarHBondContact OD2-NH2 2.96Å
45	H	91.1	Very high	87.8	Confident	87 Å²	87	90.8 Å²	90.8	40%	0.403	45%	0.446	S	S	.	.	H	α-helix	trans	-66.7	-39.4	173.6	-175.2	-97.8	0	0	0	112.3	I41 Q42 A43 F48 L49	I41-H45 WeakPolarHBondContact O-CB 3.33Å; I41-H45 PolarHBondContact O-N 2.96Å; Q42-H45 PolarHBondContact O-N 3.32Å; A43-H45 VanDerWaalsContact C-N 3.34Å; A43-H45 PolarHBondContact O-N 3.23Å; H45-F48 WeakPolarHBondContact O-CB 3.46Å; H45-F48 PolarHBondContact O-N 3.1Å; H45-L49 WeakPolarHBondContact O-CG 3.22Å; H45-L49 PolarHBondContact O-N 3.35Å
46	E	94.3	Very high	89.7	Confident	87 Å²	87	83.4 Å²	83.4	41%	0.407	42%	0.418	S	S	.	.	H	α-helix	trans	-65.6	-42.2	176.1	-175.7	57.7	-151	0	0	111.7	Q42 A43 F48 L49 Q50	Q42-E46 WeakPolarHBondContact O-CB 3.3Å; Q42-E46 PolarHBondContact O-N 3.12Å; A43-E46 PolarHBondContact O-N 3.16Å; E46-F48 VanDerWaalsContact C-N 3.3Å; E46-F48 PolarHBondContact O-N 3.43Å; E46-L49 PolarHBondContact O-N 3.15Å; E46-L49 VanDerWaalsContact O-N 3.13Å; E46-Q50 WeakPolarHBondContact O-CG 3.29Å; E46-Q50 PolarHBondContact O-N 2.87Å; E46-Q50 PolarHBondContact OE1-NE2 3.46Å; E46-Q50 VanDerWaalsContact OE1-NE2 3.1Å
47	L	93.9	Very high	91.2	Very high	87 Å²	87	85.5 Å²	85.5	46%	0.455	42%	0.421	S	S	.	.	H	α-helix	trans	-59.6	-40.8	173.3	-73.7	172.6	0	0	0	112.2	A43 Q50 A51 Y411	A43-L47 WeakPolarHBondContact O-CG 3.38Å; A43-L47 PolarHBondContact O-N 3.1Å; L47-Q50 PolarHBondContact O-N 3.16Å; L47-A51 VanDerWaalsContact O-CB 3.27Å; L47-A51 WeakPolarHBondContact O-CB 3.47Å; L47-A51 PolarHBondContact O-N 3.28Å; L47-Y411 HydrophobicContact CB-CE1 4.43Å
48	F	94.9	Very high	92.1	Very high	8 Å²	8	80.4 Å²	80.4	4%	0.035	40%	0.401	C	S	.	.	H	α-helix	trans	-57.8	-49.9	171.8	159	-108.1	0	0	0	111.5	D44 H45 E46 Q50 A51 F52 F409 Y411 R416 Q417	D44-F48 PolarHBondContact O-N 3.07Å; D44-F48 VanDerWaalsContact O-N 3.07Å; H45-F48 WeakPolarHBondContact O-CB 3.46Å; H45-F48 PolarHBondContact O-N 3.1Å; E46-F48 VanDerWaalsContact C-N 3.3Å; E46-F48 PolarHBondContact O-N 3.43Å; F48-Q50 PolarHBondContact O-N 3.3Å; F48-A51 PolarHBondContact O-N 3.35Å; F48-F52 AromaticContact CD2-CD2 3.56Å; F48-F52 HydrophobicContact CD2-CD2 3.56Å; F48-F52 AromaticContact CD2-CE2 3.63Å; F48-F52 HydrophobicContact CD2-CE2 3.63Å; F48-F52 AromaticContact CE2-CD2 3.4Å; F48-F52 HydrophobicContact CE2-CD2 3.4Å; F48-F52 VanDerWaalsContact CE2-CD2 3.4Å; F48-F52 AromaticContact CE2-CE2 3.45Å; F48-F52 HydrophobicContact CE2-CE2 3.45Å; F48-F52 VanDerWaalsContact CE2-CE2 3.45Å; F48-F52 HydrophobicContact CE2-CG 4.29Å; F48-F52 HydrophobicContact CE2-CZ 4.37Å; F48-F52 HydrophobicContact CZ-CD2 4.36Å; F48-F52 WeakPolarHBondContact O-CD2 3.1Å; F48-F52 PolarHBondContact O-N 3.3Å; F48-F409 HydrophobicContact CE2-CB 3.99Å; F48-F409 HydrophobicContact CZ-CB 4.05Å; F48-Y411 HydrophobicContact CB-CD1 3.99Å; F48-Y411 HydrophobicContact CB-CE1 4.47Å; F48-Y411 HydrophobicContact CB-CG 4.12Å; F48-Y411 HydrophobicContact CD2-CG 4.14Å; F48-R416 HydrophobicContact CD1-CB 4.06Å; F48-R416 HydrophobicContact CD2-CB 3.85Å; F48-R416 HydrophobicContact CD2-CG 4Å; F48-R416 HydrophobicContact CE1-CB 3.96Å; F48-R416 HydrophobicContact CE2-CB 3.74Å; F48-R416 HydrophobicContact CE2-CG 4.32Å; F48-R416 HydrophobicContact CG-CB 4Å; F48-R416 HydrophobicContact CG-CG 4.16Å; F48-R416 HydrophobicContact CZ-CB 3.8Å; F48-Q417 HydrophobicContact CE1-CB 4.2Å; F48-Q417 HydrophobicContact CZ-CB 3.81Å
49	L	95.6	Very high	92.9	Very high	74 Å²	74	74.4 Å²	74.4	39%	0.387	37%	0.371	S	S	.	.	H	α-helix	trans	-59.6	-48.7	178.7	-68.3	179.7	0	0	0	111.4	H45 E46 A51 F52 E53	H45-L49 WeakPolarHBondContact O-CG 3.22Å; H45-L49 PolarHBondContact O-N 3.35Å; E46-L49 PolarHBondContact O-N 3.15Å; E46-L49 VanDerWaalsContact O-N 3.13Å; L49-A51 VanDerWaalsContact C-N 3.32Å; L49-A51 PolarHBondContact O-N 3.19Å; L49-F52 PolarHBondContact O-N 3.44Å; L49-E53 WeakPolarHBondContact O-CB 3.49Å; L49-E53 PolarHBondContact O-N 3.41Å
50	Q	94.8	Very high	93.6	Very high	96 Å²	96	72.9 Å²	72.9	45%	0.449	36%	0.358	S	S	.	.	H	α-helix	trans	-60.2	-40.5	179.6	-70.9	177.3	7.7	0	0	112.6	E46 L47 F48 F52 E53 K54	E46-Q50 WeakPolarHBondContact O-CG 3.29Å; E46-Q50 PolarHBondContact O-N 2.87Å; E46-Q50 PolarHBondContact OE1-NE2 3.46Å; E46-Q50 VanDerWaalsContact OE1-NE2 3.1Å; L47-Q50 PolarHBondContact O-N 3.16Å; F48-Q50 PolarHBondContact O-N 3.3Å; Q50-F52 PolarHBondContact O-N 2.87Å; Q50-E53 PolarHBondContact O-N 3.04Å; Q50-K54 PolarHBondContact O-N 3.06Å
51	A	94.6	Very high	94.3	Very high	28 Å²	28	73.1 Å²	73.1	23%	0.231	36%	0.358	C	S	.	.	H	α-helix	trans	-61.9	-41.1	179.5	0	0	0	0	0	112.3	L47 F48 L49 P55 Y411 I468	L47-A51 VanDerWaalsContact O-CB 3.27Å; L47-A51 WeakPolarHBondContact O-CB 3.47Å; L47-A51 PolarHBondContact O-N 3.28Å; F48-A51 PolarHBondContact O-N 3.35Å; L49-A51 VanDerWaalsContact C-N 3.32Å; L49-A51 PolarHBondContact O-N 3.19Å; A51-P55 WeakPolarHBondContact O-CD 3.49Å; A51-Y411 HydrophobicContact CB-CD2 4.31Å; A51-Y411 HydrophobicContact CB-CE2 3.83Å; A51-I468 HydrophobicContact CB-CD1 4.28Å; A51-I468 HydrophobicContact CB-CG1 4.16Å; A51-I468 WeakPolarHBondContact O-CD1 3.33Å
52	F	96.8	Very high	94.9	Very high	13 Å²	13	71.6 Å²	71.6	6%	0.057	35%	0.35	C	S	.	.	H	α-helix	trans	-86.4	-25.7	178.5	-77.3	-88.4	0	0	0	113.5	F48 L49 Q50 T56 F409 L410 Y411 F451 V466 I468	F48-F52 AromaticContact CD2-CD2 3.56Å; F48-F52 HydrophobicContact CD2-CD2 3.56Å; F48-F52 AromaticContact CD2-CE2 3.63Å; F48-F52 HydrophobicContact CD2-CE2 3.63Å; F48-F52 AromaticContact CE2-CD2 3.4Å; F48-F52 HydrophobicContact CE2-CD2 3.4Å; F48-F52 VanDerWaalsContact CE2-CD2 3.4Å; F48-F52 AromaticContact CE2-CE2 3.45Å; F48-F52 HydrophobicContact CE2-CE2 3.45Å; F48-F52 VanDerWaalsContact CE2-CE2 3.45Å; F48-F52 HydrophobicContact CE2-CG 4.29Å; F48-F52 HydrophobicContact CE2-CZ 4.37Å; F48-F52 HydrophobicContact CZ-CD2 4.36Å; F48-F52 WeakPolarHBondContact O-CD2 3.1Å; F48-F52 PolarHBondContact O-N 3.3Å; L49-F52 PolarHBondContact O-N 3.44Å; Q50-F52 PolarHBondContact O-N 2.87Å; F52-T56 WeakPolarHBondContact O-CB 3.41Å; F52-T56 PolarHBondContact O-N 2.99Å; F52-T56 PolarHBondContact O-OG1 3.45Å; F52-F409 AromaticContact CD1-CD1 3.59Å; F52-F409 HydrophobicContact CD1-CD1 3.59Å; F52-F409 HydrophobicContact CD1-CE1 4.04Å; F52-F409 AromaticContact CE1-CD1 3.53Å; F52-F409 HydrophobicContact CE1-CD1 3.53Å; F52-F409 HydrophobicContact CE1-CE1 4.25Å; F52-F409 HydrophobicContact CG-CD1 4.31Å; F52-F409 HydrophobicContact CZ-CB 4.4Å; F52-F409 HydrophobicContact CZ-CD1 4.19Å; F52-L410 WeakPolarHBondContact CZ-O 3.43Å; F52-Y411 HydrophobicContact CE2-CD2 4.47Å; F52-F451 HydrophobicContact CD1-CD1 4.08Å; F52-F451 AromaticContact CD1-CE1 3.41Å; F52-F451 HydrophobicContact CD1-CE1 3.41Å; F52-F451 VanDerWaalsContact CD1-CE1 3.41Å; F52-F451 HydrophobicContact CD1-CZ 4.1Å; F52-F451 AromaticContact CE1-CD1 3.96Å; F52-F451 HydrophobicContact CE1-CD1 3.96Å; F52-F451 AromaticContact CE1-CE1 3.78Å; F52-F451 HydrophobicContact CE1-CE1 3.78Å; F52-F451 HydrophobicContact CG-CE1 4.32Å; F52-V466 HydrophobicContact CE1-CG1 4.08Å; F52-I468 HydrophobicContact CD1-CD1 3.86Å; F52-I468 HydrophobicContact CD2-CD1 3.96Å; F52-I468 HydrophobicContact CD2-CG1 4.44Å; F52-I468 HydrophobicContact CE1-CD1 3.76Å; F52-I468 HydrophobicContact CE1-CG1 4.47Å; F52-I468 HydrophobicContact CE2-CD1 3.88Å; F52-I468 HydrophobicContact CE2-CG1 4.01Å; F52-I468 HydrophobicContact CG-CD1 3.96Å; F52-I468 HydrophobicContact CZ-CD1 3.8Å; F52-I468 HydrophobicContact CZ-CG1 4.04Å
53	E	97.1	Very high	95.4	Very high	99 Å²	99	68.9 Å²	68.9	46%	0.463	33%	0.334	S	S	.	.	H	α-helix	trans	-62.4	-53.6	179.1	179.6	178.3	-165.7	0	0	111.2	L49 Q50 T56 Q57	L49-E53 WeakPolarHBondContact O-CB 3.49Å; L49-E53 PolarHBondContact O-N 3.41Å; Q50-E53 PolarHBondContact O-N 3.04Å; E53-T56 WeakPolarHBondContact O-CB 3.45Å; E53-T56 PolarHBondContact O-N 3Å; E53-Q57 HydrophobicContact CG-CG 4.06Å; E53-Q57 WeakPolarHBondContact O-CG 3.44Å; E53-Q57 PolarHBondContact O-N 3.35Å; E53-Q57 PolarHBondContact OE1-NE2 2.74Å
54	K	94	Very high	95.8	Very high	146 Å²	146	70.2 Å²	70.2	64%	0.635	34%	0.336	S	S	*	.	H	α-helix	trans	-56.6	-52.3	-173.3	173.8	-179.4	-176.6	178.5	0	113.1	Q50 T56 I58	Q50-K54 PolarHBondContact O-N 3.06Å; K54-T56 VanDerWaalsContact C-N 3.33Å; K54-T56 PolarHBondContact O-N 2.97Å; K54-I58 WeakPolarHBondContact O-CG1 3.33Å; K54-I58 PolarHBondContact O-N 3.26Å
55	P	96.7	Very high	96.2	Very high	10 Å²	10	75.2 Å²	75.2	7%	0.065	35%	0.352	C	S	.	.	H	α-helix	trans	-65.5	-35.8	175.4	-18.7	31.5	0	0	0	112.6	A51 I58 Y59 R450 F451	A51-P55 WeakPolarHBondContact O-CD 3.49Å; P55-I58 PolarHBondContact O-N 3.24Å; P55-Y59 HydrophobicContact CB-CD2 4.47Å; P55-Y59 HydrophobicContact CB-CE2 4.15Å; P55-Y59 WeakPolarHBondContact O-CD2 3.13Å; P55-Y59 PolarHBondContact O-N 3.14Å; P55-R450 HydrophobicContact CB-CB 3.94Å; P55-R450 HydrophobicContact CG-CB 4.34Å; P55-F451 HydrophobicContact CB-CE1 4.02Å; P55-F451 HydrophobicContact CB-CE2 3.92Å; P55-F451 HydrophobicContact CB-CZ 3.53Å; P55-F451 HydrophobicContact CG-CE1 4.08Å; P55-F451 HydrophobicContact CG-CZ 4.05Å
56	T	97.8	Very high	96.5	Very high	38 Å²	38	73.4 Å²	73.4	23%	0.233	35%	0.345	C	S	.	.	H	α-helix	trans	-62.5	-45.1	179.1	-63.5	0	0	0	0	111.5	F52 E53 K54 I58 Y59 R60	F52-T56 WeakPolarHBondContact O-CB 3.41Å; F52-T56 PolarHBondContact O-N 2.99Å; F52-T56 PolarHBondContact O-OG1 3.45Å; E53-T56 WeakPolarHBondContact O-CB 3.45Å; E53-T56 PolarHBondContact O-N 3Å; K54-T56 VanDerWaalsContact C-N 3.33Å; K54-T56 PolarHBondContact O-N 2.97Å; T56-I58 VanDerWaalsContact C-N 3.35Å; T56-I58 PolarHBondContact O-N 3.36Å; T56-Y59 PolarHBondContact O-N 2.9Å; T56-R60 HydrophobicContact CG2-CG 4.23Å; T56-R60 WeakPolarHBondContact O-CB 3.33Å; T56-R60 WeakPolarHBondContact O-CG 3.19Å; T56-R60 PolarHBondContact O-N 3.1Å
57	Q	97.9	Very high	96.5	Very high	117 Å²	117	75.4 Å²	75.4	55%	0.547	36%	0.358	S	S	.	.	H	α-helix	trans	-58.8	-45.3	175.3	-70	-170.1	13	0	0	111.6	E53 Y59 R60 F61	E53-Q57 HydrophobicContact CG-CG 4.06Å; E53-Q57 WeakPolarHBondContact O-CG 3.44Å; E53-Q57 PolarHBondContact O-N 3.35Å; E53-Q57 PolarHBondContact OE1-NE2 2.74Å; Q57-Y59 PolarHBondContact O-N 3.29Å; Q57-R60 PolarHBondContact O-N 3.11Å; Q57-F61 WeakPolarHBondContact O-CB 3.48Å; Q57-F61 PolarHBondContact O-N 3.35Å
58	I	97.1	Very high	96.7	Very high	55 Å²	55	78.1 Å²	78.1	28%	0.282	37%	0.372	S	S	.	.	H	α-helix	trans	-57.8	-49.4	177.2	-66	166.8	0	0	0	110.6	K54 P55 T56 R60 F61 L62	K54-I58 WeakPolarHBondContact O-CG1 3.33Å; K54-I58 PolarHBondContact O-N 3.26Å; P55-I58 PolarHBondContact O-N 3.24Å; T56-I58 VanDerWaalsContact C-N 3.35Å; T56-I58 PolarHBondContact O-N 3.36Å; I58-R60 VanDerWaalsContact C-N 3.34Å; I58-R60 PolarHBondContact O-N 3.2Å; I58-F61 PolarHBondContact O-N 3.02Å; I58-L62 HydrophobicContact CG2-CD1 3.89Å; I58-L62 HydrophobicContact CG2-CG 4.33Å; I58-L62 WeakPolarHBondContact O-CB 3.39Å; I58-L62 VanDerWaalsContact O-CG 3.31Å; I58-L62 WeakPolarHBondContact O-CG 3.31Å; I58-L62 PolarHBondContact O-N 3.19Å
59	Y	98.1	Very high	96.8	Very high	16 Å²	16	80.5 Å²	80.5	6%	0.063	39%	0.393	C	S	.	.	H	α-helix	trans	-67.9	-33.1	-179	-66.3	-51.2	0	0	0	113.2	P55 T56 Q57 L62 R63 S447 H448 S449 R450 F451	P55-Y59 HydrophobicContact CB-CD2 4.47Å; P55-Y59 HydrophobicContact CB-CE2 4.15Å; P55-Y59 WeakPolarHBondContact O-CD2 3.13Å; P55-Y59 PolarHBondContact O-N 3.14Å; T56-Y59 PolarHBondContact O-N 2.9Å; Q57-Y59 PolarHBondContact O-N 3.29Å; Y59-L62 HydrophobicContact CD1-CD1 4.34Å; Y59-L62 PolarHBondContact O-N 2.73Å; Y59-R63 WeakPolarHBondContact O-CB 3.42Å; Y59-R63 PolarHBondContact O-N 3.25Å; Y59-S447 WeakPolarHBondContact CE1-O 3.41Å; Y59-H448 AromaticContact CD1-ND1 3.4Å; Y59-H448 WeakPolarHBondContact CD1-ND1 3.39Å; Y59-H448 HydrophobicContact CD2-CB 4.35Å; Y59-H448 AromaticContact CD2-ND1 3.64Å; Y59-H448 HydrophobicContact CE1-CB 4.41Å; Y59-H448 AromaticContact CE1-ND1 3.81Å; Y59-H448 HydrophobicContact CE2-CB 3.93Å; Y59-H448 AromaticContact CG-ND1 3.34Å; Y59-H448 VanDerWaalsContact CG-ND1 3.34Å; Y59-H448 VanDerWaalsContact CZ-CA 3.43Å; Y59-H448 WeakPolarHBondContact OH-CA 3.35Å; Y59-S449 PolarHBondContact OH-N 2.81Å; Y59-R450 HydrophobicContact CE2-CB 4.1Å; Y59-R450 VanDerWaalsContact OH-CB 3.29Å; Y59-R450 WeakPolarHBondContact OH-CB 3.48Å; Y59-R450 VanDerWaalsContact OH-CG 3.32Å; Y59-R450 WeakPolarHBondContact OH-CG 2.86Å; Y59-R450 PolarHBondContact OH-N 3.22Å; Y59-F451 HydrophobicContact CD2-CD2 4.46Å; Y59-F451 AromaticContact CD2-CE2 3.98Å; Y59-F451 HydrophobicContact CD2-CE2 3.98Å; Y59-F451 AromaticContact CE2-CD2 3.99Å; Y59-F451 HydrophobicContact CE2-CD2 3.99Å; Y59-F451 AromaticContact CE2-CE2 3.86Å; Y59-F451 HydrophobicContact CE2-CE2 3.86Å
60	R	97.6	Very high	96.8	Very high	120 Å²	120	80.6 Å²	80.6	45%	0.453	40%	0.398	S	S	.	.	H	α-helix	trans	-68.2	-39.2	174.1	-69.1	-74.1	-179.8	142	0.7	111.9	T56 Q57 I58 R63 P428 W429	T56-R60 HydrophobicContact CG2-CG 4.23Å; T56-R60 WeakPolarHBondContact O-CB 3.33Å; T56-R60 WeakPolarHBondContact O-CG 3.19Å; T56-R60 PolarHBondContact O-N 3.1Å; Q57-R60 PolarHBondContact O-N 3.11Å; I58-R60 VanDerWaalsContact C-N 3.34Å; I58-R60 PolarHBondContact O-N 3.2Å; R60-R63 WeakPolarHBondContact O-CB 3.46Å; R60-P428 PolarHBondContact NH2-O 2.94Å; R60-W429 WeakPolarHBondContact CD-O 3.34Å; R60-W429 PolarHBondContact NE-O 3.1Å
61	F	98.1	Very high	96.9	Very high	133 Å²	133	82.2 Å²	82.2	58%	0.583	41%	0.408	S	S	*	.	H	α-helix	trans	-63.7	-49.3	170.9	170	-98.6	0	0	0	111.5	Q57 I58 R63 T64 R65	Q57-F61 WeakPolarHBondContact O-CB 3.48Å; Q57-F61 PolarHBondContact O-N 3.35Å; I58-F61 PolarHBondContact O-N 3.02Å; F61-R63 VanDerWaalsContact C-N 3.27Å; F61-R63 PolarHBondContact O-N 3.24Å; F61-T64 PolarHBondContact O-N 3.26Å; F61-T64 VanDerWaalsContact O-N 3.15Å; F61-R65 PolarHBondContact O-N 3.13Å
62	L	97.6	Very high	97	Very high	53 Å²	53	85.5 Å²	85.5	28%	0.277	42%	0.418	S	S	.	.	H	α-helix	trans	-62.1	-32.5	179.6	-72.9	177.2	0	0	0	112.6	I58 Y59 R65 N66	I58-L62 HydrophobicContact CG2-CD1 3.89Å; I58-L62 HydrophobicContact CG2-CG 4.33Å; I58-L62 WeakPolarHBondContact O-CB 3.39Å; I58-L62 VanDerWaalsContact O-CG 3.31Å; I58-L62 WeakPolarHBondContact O-CG 3.31Å; I58-L62 PolarHBondContact O-N 3.19Å; Y59-L62 HydrophobicContact CD1-CD1 4.34Å; Y59-L62 PolarHBondContact O-N 2.73Å; L62-R65 PolarHBondContact O-N 3.35Å; L62-N66 WeakPolarHBondContact O-CB 3.39Å; L62-N66 PolarHBondContact O-N 3.12Å; L62-N66 PolarHBondContact O-ND2 3.06Å
63	R	97.1	Very high	97.1	Very high	84 Å²	84	88.2 Å²	88.2	32%	0.317	43%	0.432	S	S	.	.	H	α-helix	trans	-53.4	-57.4	170.6	174	-167.1	-179.9	-135	0.8	110.8	Y59 R60 F61 R65 N66 L67 C430 T431	Y59-R63 WeakPolarHBondContact O-CB 3.42Å; Y59-R63 PolarHBondContact O-N 3.25Å; R60-R63 WeakPolarHBondContact O-CB 3.46Å; F61-R63 VanDerWaalsContact C-N 3.27Å; F61-R63 PolarHBondContact O-N 3.24Å; R63-R65 VanDerWaalsContact C-N 3.34Å; R63-R65 PolarHBondContact O-N 2.75Å; R63-N66 PolarHBondContact O-N 3.3Å; R63-L67 HydrophobicContact CG-CD1 4.1Å; R63-L67 WeakPolarHBondContact O-CB 2.89Å; R63-L67 VanDerWaalsContact O-CG 3.22Å; R63-L67 WeakPolarHBondContact O-CG 2.98Å; R63-L67 PolarHBondContact O-N 2.51Å; R63-C430 HydrophobicContact CB-CB 4.15Å; R63-C430 HydrophobicContact CG-CB 4.27Å; R63-C430 WeakPolarHBondContact CG-O 3.48Å; R63-C430 PolarHBondContact NE-O 2.81Å; R63-T431 VanDerWaalsContact CZ-OG1 3.28Å; R63-T431 PolarHBondContact NE-OG1 3.42Å; R63-T431 PolarHBondContact NH2-OG1 3.14Å
64	T	97.8	Very high	97.1	Very high	82 Å²	82	86.4 Å²	86.4	50%	0.503	42%	0.424	S	S	.	.	H	α-helix	trans	-62.5	-43.2	-177.3	-55.7	0	0	0	0	111.2	F61	F61-T64 PolarHBondContact O-N 3.26Å; F61-T64 VanDerWaalsContact O-N 3.15Å
65	R	97.7	Very high	97.2	Very high	147 Å²	147	84.6 Å²	84.6	56%	0.555	41%	0.413	S	S	*	.	H	α-helix	trans	-60.5	-52.1	176.3	178.4	180	170.3	165.2	-1.9	111.9	F61 L62 R63 L67 I68 A69	F61-R65 PolarHBondContact O-N 3.13Å; L62-R65 PolarHBondContact O-N 3.35Å; R63-R65 VanDerWaalsContact C-N 3.34Å; R63-R65 PolarHBondContact O-N 2.75Å; R65-L67 VanDerWaalsContact C-N 3.31Å; R65-L67 PolarHBondContact O-N 3.43Å; R65-I68 PolarHBondContact O-N 2.88Å; R65-I68 VanDerWaalsContact O-N 3.08Å; R65-A69 PolarHBondContact O-N 3.41Å
66	N	96.9	Very high	97.2	Very high	48 Å²	48	88.9 Å²	88.9	26%	0.257	44%	0.439	S	S	.	.	H	α-helix	trans	-75.3	-19.7	-172.4	-66	-17.3	0	0	0	113.1	L62 R63 I68 P70	L62-N66 WeakPolarHBondContact O-CB 3.39Å; L62-N66 PolarHBondContact O-N 3.12Å; L62-N66 PolarHBondContact O-ND2 3.06Å; R63-N66 PolarHBondContact O-N 3.3Å; N66-I68 PolarHBondContact O-N 3.03Å; N66-P70 WeakPolarHBondContact O-CA 3.2Å
67	L	95.5	Very high	97.1	Very high	129 Å²	129	89 Å²	89	68%	0.675	44%	0.438	S	S	*	.	H	α-helix	trans	-64.2	-28.9	167.7	-77.8	170.9	0	0	0	112.3	R63 R65	R63-L67 HydrophobicContact CG-CD1 4.1Å; R63-L67 WeakPolarHBondContact O-CB 2.89Å; R63-L67 VanDerWaalsContact O-CG 3.22Å; R63-L67 WeakPolarHBondContact O-CG 2.98Å; R63-L67 PolarHBondContact O-N 2.51Å; R65-L67 VanDerWaalsContact C-N 3.31Å; R65-L67 PolarHBondContact O-N 3.43Å
68	I	96.8	Very high	96.9	Very high	145 Å²	145	89.6 Å²	89.6	74%	0.744	45%	0.45	S	S	*	.	H	α-helix	trans	-97.5	-45.4	179.6	-58.6	171.2	0	0	0	110.8	R65 N66 P70	R65-I68 PolarHBondContact O-N 2.88Å; R65-I68 VanDerWaalsContact O-N 3.08Å; N66-I68 PolarHBondContact O-N 3.03Å; I68-P70 WeakPolarHBondContact O-CD 3.46Å
69	A	96.8	Very high	96.7	Very high	57 Å²	57	88 Å²	88	47%	0.471	44%	0.44	S	S	.	.	S	Bend	trans	-123.6	79.6	-176.4	0	0	0	0	0	110.1	R65	R65-A69 PolarHBondContact O-N 3.41Å
70	P	96.7	Very high	96.6	Very high	77 Å²	77	87.2 Å²	87.2	50%	0.5	44%	0.438	S	S	.	.			trans	-67.4	139.1	-176	27.1	-34.6	0	0	0	112	N66 I68	N66-P70 WeakPolarHBondContact O-CA 3.2Å; I68-P70 WeakPolarHBondContact O-CD 3.46Å
71	I	96.9	Very high	96.3	Very high	129 Å²	129	85.3 Å²	85.3	66%	0.662	44%	0.443	S	S	*	.	S	Bend	trans	-71.8	-43.3	172.9	-53.6	172.4	0	0	0	110
72	F	97.1	Very high	96.1	Very high	98 Å²	98	81.4 Å²	81.4	43%	0.43	43%	0.426	S	S	.	.	S	Bend	trans	-149	168.2	174.6	49.5	-102.7	0	0	0	109.2	H74 L77	F72-H74 AromaticContact CE2-CE1 3.88Å; F72-H74 AromaticContact CE2-ND1 3.84Å; F72-L77 HydrophobicContact CD2-CD1 4.35Å; F72-L77 HydrophobicContact CD2-CD2 4.22Å; F72-L77 HydrophobicContact CD2-CG 4.47Å; F72-L77 HydrophobicContact CE2-CD1 3.92Å; F72-L77 HydrophobicContact CE2-CD2 4.22Å; F72-L77 HydrophobicContact CE2-CG 4.45Å
73	L	97.4	Very high	96	Very high	70 Å²	70	83.8 Å²	83.8	37%	0.366	43%	0.432	S	S	.	.			trans	-91.5	118.6	-179.1	-63.4	172.2	0	0	0	110.4	R75 T76	L73-R75 HydrophobicContact CB-CG 4.18Å; L73-R75 VanDerWaalsContact CD1-NH2 3.32Å; L73-R75 PolarHBondContact O-N 3.19Å; L73-T76 HydrophobicContact CB-CG2 4.06Å; L73-T76 HydrophobicContact CD1-CG2 4.46Å; L73-T76 PolarHBondContact O-N 2.97Å; L73-T76 PolarHBondContact O-OG1 3.01Å
74	H	97.1	Very high	95.8	Very high	60 Å²	60	82.8 Å²	82.8	28%	0.278	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-56.3	-30.7	178.7	-68.8	-58.4	0	0	0	113.9	F72 T76 L77 M80	F72-H74 AromaticContact CE2-CE1 3.88Å; F72-H74 AromaticContact CE2-ND1 3.84Å; H74-T76 PolarHBondContact O-N 3.02Å; H74-L77 HydrophobicContact CB-CD1 4.44Å; H74-L77 PolarHBondContact O-N 2.97Å; H74-M80 WeakPolarHBondContact O-CB 3.47Å
75	R	96.4	Very high	95.5	Very high	109 Å²	109	86 Å²	86	41%	0.411	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-66.7	-10.3	177.1	68.1	174.4	176.1	-105.8	0.3	114.9	L73 R83 N84	L73-R75 HydrophobicContact CB-CG 4.18Å; L73-R75 VanDerWaalsContact CD1-NH2 3.32Å; L73-R75 PolarHBondContact O-N 3.19Å; R75-R83 HydrophobicContact CB-CB 4.14Å; R75-N84 HydrophobicContact CB-CB 4.28Å
76	T	96.3	Very high	95.4	Very high	99 Å²	99	87.5 Å²	87.5	61%	0.607	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-101.6	-3.6	177.4	63.4	0	0	0	0	112.8	L73 H74	L73-T76 HydrophobicContact CB-CG2 4.06Å; L73-T76 HydrophobicContact CD1-CG2 4.46Å; L73-T76 PolarHBondContact O-N 2.97Å; L73-T76 PolarHBondContact O-OG1 3.01Å; H74-T76 PolarHBondContact O-N 3.02Å
77	L	95.6	Very high	95.2	Very high	41 Å²	41	90.5 Å²	90.5	22%	0.215	47%	0.473	C	S	.	.	S	Bend	trans	-76	138.6	175.2	-59.3	168.5	0	0	0	110.1	F72 H74 F79 M80 S81	F72-L77 HydrophobicContact CD2-CD1 4.35Å; F72-L77 HydrophobicContact CD2-CD2 4.22Å; F72-L77 HydrophobicContact CD2-CG 4.47Å; F72-L77 HydrophobicContact CE2-CD1 3.92Å; F72-L77 HydrophobicContact CE2-CD2 4.22Å; F72-L77 HydrophobicContact CE2-CG 4.45Å; H74-L77 HydrophobicContact CB-CD1 4.44Å; H74-L77 PolarHBondContact O-N 2.97Å; L77-F79 VanDerWaalsContact C-N 3.34Å; L77-F79 HydrophobicContact CB-CD1 4.3Å; L77-F79 HydrophobicContact CB-CE1 4.07Å; L77-F79 HydrophobicContact CB-CZ 4.34Å; L77-F79 HydrophobicContact CD1-CE1 4.15Å; L77-F79 HydrophobicContact CD1-CE2 4.33Å; L77-F79 HydrophobicContact CD1-CZ 3.74Å; L77-F79 HydrophobicContact CD2-CE1 4.47Å; L77-F79 HydrophobicContact CG-CE1 4.47Å; L77-F79 PolarHBondContact O-N 3.32Å; L77-M80 HydrophobicContact CB-CB 4.1Å; L77-M80 HydrophobicContact CB-CG 4.32Å; L77-M80 HydrophobicContact CD1-CG 4.38Å; L77-M80 CarbonylContact O-C 3.53Å; L77-M80 PolarHBondContact O-N 3.47Å; L77-S81 PolarHBondContact O-N 3.08Å
78	T	93.4	Very high	95.1	Very high	129 Å²	129	89.7 Å²	89.7	79%	0.791	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-59.4	-43.1	-177.6	51.2	0	0	0	0	112.3	M80	T78-M80 PolarHBondContact O-N 3.19Å
79	F	94.3	Very high	95	Very high	21 Å²	21	86 Å²	86	9%	0.092	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-74.9	-1.6	176.7	65.6	-91.9	0	0	0	114	L77 Y438 S439 K442 H443 L446	L77-F79 VanDerWaalsContact C-N 3.34Å; L77-F79 HydrophobicContact CB-CD1 4.3Å; L77-F79 HydrophobicContact CB-CE1 4.07Å; L77-F79 HydrophobicContact CB-CZ 4.34Å; L77-F79 HydrophobicContact CD1-CE1 4.15Å; L77-F79 HydrophobicContact CD1-CE2 4.33Å; L77-F79 HydrophobicContact CD1-CZ 3.74Å; L77-F79 HydrophobicContact CD2-CE1 4.47Å; L77-F79 HydrophobicContact CG-CE1 4.47Å; L77-F79 PolarHBondContact O-N 3.32Å; F79-Y438 HydrophobicContact CB-CD1 4.29Å; F79-Y438 HydrophobicContact CB-CE1 3.65Å; F79-S439 VanDerWaalsContact O-CB 3.29Å; F79-S439 WeakPolarHBondContact O-CB 3.47Å; F79-S439 PolarHBondContact O-OG 2.95Å; F79-K442 HydrophobicContact CB-CB 4.2Å; F79-K442 HydrophobicContact CB-CG 4.14Å; F79-K442 HydrophobicContact CD1-CB 4.09Å; F79-K442 HydrophobicContact CD1-CG 4.47Å; F79-K442 HydrophobicContact CD2-CB 3.69Å; F79-K442 HydrophobicContact CE1-CB 4.37Å; F79-K442 HydrophobicContact CE2-CB 3.99Å; F79-K442 HydrophobicContact CG-CB 3.74Å; F79-K442 HydrophobicContact CG-CG 4.16Å; F79-K442 HydrophobicContact CZ-CB 4.31Å; F79-H443 HydrophobicContact CE2-CB 4.07Å; F79-L446 HydrophobicContact CE1-CD1 3.86Å; F79-L446 HydrophobicContact CZ-CD1 4.3Å
80	M	95.6	Very high	94.7	Very high	0 Å²	0	92.9 Å²	92.9	0%	0	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-123.4	24	178.4	-67.3	-74.1	-178.9	0	0	112.8	H74 L77 T78 H82 R83 L432 C434 S439 H443	H74-M80 WeakPolarHBondContact O-CB 3.47Å; L77-M80 HydrophobicContact CB-CB 4.1Å; L77-M80 HydrophobicContact CB-CG 4.32Å; L77-M80 HydrophobicContact CD1-CG 4.38Å; L77-M80 CarbonylContact O-C 3.53Å; L77-M80 PolarHBondContact O-N 3.47Å; T78-M80 PolarHBondContact O-N 3.19Å; M80-H82 PolarHBondContact O-N 3.21Å; M80-H82 VanDerWaalsContact O-N 3.11Å; M80-R83 HydrophobicContact CB-CG 4.39Å; M80-R83 WeakPolarHBondContact O-CB 3.29Å; M80-R83 PolarHBondContact O-N 2.9Å; M80-L432 HydrophobicContact CE-CD2 4.09Å; M80-C434 HydrophobicContact CE-CB 3.85Å; M80-S439 WeakPolarHBondContact CE-O 3.46Å; M80-H443 HydrophobicContact CE-CB 3.98Å
81	S	91.9	Very high	94.6	Very high	80 Å²	80	98.1 Å²	98.1	56%	0.559	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-54.4	-32.8	-177.5	57	0	0	0	0	114.2	L77 R83 N84	L77-S81 PolarHBondContact O-N 3.08Å; S81-R83 PolarHBondContact O-N 3.3Å; S81-R83 VanDerWaalsContact O-N 3.1Å; S81-N84 PolarHBondContact O-N 3.49Å
82	H	93.2	Very high	94.4	Very high	51 Å²	51	101.2 Å²	101.2	24%	0.236	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-62.3	-14.7	178	63.9	-91.3	0	0	0	114.2	M80 C434 S435	M80-H82 PolarHBondContact O-N 3.21Å; M80-H82 VanDerWaalsContact O-N 3.11Å; H82-C434 PolarHBondContact CE1-O 3.48Å; H82-C434 PolarHBondContact NE2-O 3.32Å; H82-S435 WeakPolarHBondContact NE2-CB 3.39Å
83	R	95.3	Very high	94.3	Very high	104 Å²	104	102 Å²	102	39%	0.392	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-78.9	-18.4	177.9	-63.6	-169.6	71.5	91.5	1.5	113.5	R75 M80 S81 N433	R75-R83 HydrophobicContact CB-CB 4.14Å; M80-R83 HydrophobicContact CB-CG 4.39Å; M80-R83 WeakPolarHBondContact O-CB 3.29Å; M80-R83 PolarHBondContact O-N 2.9Å; S81-R83 PolarHBondContact O-N 3.3Å; S81-R83 VanDerWaalsContact O-N 3.1Å; R83-N433 PolarHBondContact NH1-O 2.7Å
84	N	93.8	Very high	94.2	Very high	63 Å²	63	103.8 Å²	103.8	34%	0.337	51%	0.51	S	S	.	.			trans	-98.5	97.7	177.9	-169.1	9.8	0	0	0	110.4	R75 S81 R86	R75-N84 HydrophobicContact CB-CB 4.28Å; S81-N84 PolarHBondContact O-N 3.49Å; N84-R86 PolarHBondContact O-N 3.35Å; N84-R86 PolarHBondContact OD1-N 2.97Å
85	N	91.8	Very high	94.1	Very high	150 Å²	150	107.1 Å²	107.1	80%	0.802	52%	0.524	S	S	*	.			trans	-72.8	-9.9	178.2	-62.3	-8.6	0	0	0	113.3
86	R	93.9	Very high	94	Very high	177 Å²	177	106.7 Å²	106.7	67%	0.668	53%	0.533	S	S	*	.			trans	-94.7	141.6	-176.4	-59.8	178.2	-63.4	179.1	2.3	110.7	N84	N84-R86 PolarHBondContact O-N 3.35Å; N84-R86 PolarHBondContact OD1-N 2.97Å
87	T	93.1	Very high	93.9	Very high	112 Å²	112	108.3 Å²	108.3	69%	0.687	54%	0.538	S	S	*	.			trans	-103.2	162.9	172.6	69	0	0	0	0	111.1	A89	T87-A89 VanDerWaalsContact C-N 3.27Å; T87-A89 PolarHBondContact O-N 3.38Å
88	N	94.4	Very high	93.8	Very high	112 Å²	112	110.2 Å²	110.2	60%	0.599	55%	0.549	S	S	*	.	S	Bend	trans	-85.3	7.7	178.2	-69.1	-51.8	0	0	0	113.7	R90 R91	N88-R90 PolarHBondContact O-N 3.48Å; N88-R91 VanDerWaalsContact O-CB 3.3Å; N88-R91 WeakPolarHBondContact O-CB 3.33Å; N88-R91 PolarHBondContact O-N 2.68Å; N88-R91 VanDerWaalsContact O-N 3.12Å; N88-R91 PolarHBondContact OD1-NH2 3.02Å; N88-R91 VanDerWaalsContact OD1-NH2 3.14Å
89	A	94.2	Very high	93.8	Very high	67 Å²	67	108.1 Å²	108.1	55%	0.554	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-44	-173.5	0	0	0	0	0	112.9	T87 R91 K92	T87-A89 VanDerWaalsContact C-N 3.27Å; T87-A89 PolarHBondContact O-N 3.38Å; A89-R91 PolarHBondContact O-N 2.58Å; A89-R91 VanDerWaalsContact O-N 3.09Å; A89-K92 PolarHBondContact O-N 2.99Å
90	R	91.3	Very high	93.6	Very high	202 Å²	202	112.4 Å²	112.4	76%	0.762	56%	0.555	S	S	*	*	H	α-helix	trans	-62.1	-18.8	179.9	-66.6	-176.1	68	-175.4	1	114	N88 K92 T93 F94	N88-R90 PolarHBondContact O-N 3.48Å; R90-K92 VanDerWaalsContact C-N 3.3Å; R90-K92 PolarHBondContact O-N 3.19Å; R90-T93 PolarHBondContact O-N 2.93Å; R90-T93 PolarHBondContact O-OG1 3.14Å; R90-F94 VanDerWaalsContact O-CB 3.27Å; R90-F94 WeakPolarHBondContact O-CB 3.44Å; R90-F94 PolarHBondContact O-N 3Å; R90-F94 VanDerWaalsContact O-N 3.12Å
91	R	93.1	Very high	93.4	Very high	187 Å²	187	119.2 Å²	119.2	71%	0.706	59%	0.585	S	S	*	*	H	α-helix	trans	-65.9	-33.6	-178.1	-169	-177.5	-62.6	-177.7	1.6	112.1	N88 A89 T93	N88-R91 VanDerWaalsContact O-CB 3.3Å; N88-R91 WeakPolarHBondContact O-CB 3.33Å; N88-R91 PolarHBondContact O-N 2.68Å; N88-R91 VanDerWaalsContact O-N 3.12Å; N88-R91 PolarHBondContact OD1-NH2 3.02Å; N88-R91 VanDerWaalsContact OD1-NH2 3.14Å; A89-R91 PolarHBondContact O-N 2.58Å; A89-R91 VanDerWaalsContact O-N 3.09Å; R91-T93 VanDerWaalsContact C-N 3.33Å; R91-T93 PolarHBondContact O-N 3.18Å
92	K	94.1	Very high	93.3	Very high	193 Å²	193	119 Å²	119	84%	0.839	58%	0.58	S	S	*	*	H	α-helix	trans	-68.1	-33.9	-178.1	-65.3	-174.2	177.8	-174.5	0	112.5	A89 R90	A89-K92 PolarHBondContact O-N 2.99Å; R90-K92 VanDerWaalsContact C-N 3.3Å; R90-K92 PolarHBondContact O-N 3.19Å
93	T	95.1	Very high	93.1	Very high	115 Å²	115	119.9 Å²	119.9	71%	0.706	59%	0.589	S	S	*	*	H	α-helix	trans	-100	-8.3	-174.9	60.8	0	0	0	0	113.2	R90 R91	R90-T93 PolarHBondContact O-N 2.93Å; R90-T93 PolarHBondContact O-OG1 3.14Å; R91-T93 VanDerWaalsContact C-N 3.33Å; R91-T93 PolarHBondContact O-N 3.18Å
94	F	94.1	Very high	92.9	Very high	108 Å²	108	119.7 Å²	119.7	47%	0.474	59%	0.593	S	S	.	*			trans	-75.4	130	-176.8	-179.9	-96.7	0	0	0	111.8	R90 V96 L99	R90-F94 VanDerWaalsContact O-CB 3.27Å; R90-F94 WeakPolarHBondContact O-CB 3.44Å; R90-F94 PolarHBondContact O-N 3Å; R90-F94 VanDerWaalsContact O-N 3.12Å; F94-V96 HydrophobicContact CE1-CG2 4.05Å; F94-L99 HydrophobicContact CE2-CD2 4.3Å; F94-L99 HydrophobicContact CZ-CD1 4.04Å; F94-L99 HydrophobicContact CZ-CD2 3.91Å; F94-L99 HydrophobicContact CZ-CG 3.91Å
95	K	94.9	Very high	92.7	Very high	129 Å²	129	123 Å²	123	56%	0.561	60%	0.604	S	S	*	*			trans	-112.7	133.2	172.2	-59.2	-62.6	-175.2	175.5	0	109.4	D97	K95-D97 VanDerWaalsContact C-N 3.29Å; K95-D97 PolarHBondContact O-N 3.23Å
96	V	94.5	Very high	92.4	Very high	100 Å²	100	121.8 Å²	121.8	61%	0.606	60%	0.595	S	S	*	*	S	Bend	trans	-68.5	-33.4	-177.8	180	0	0	0	0	110.7	F94 D98 L99	F94-V96 HydrophobicContact CE1-CG2 4.05Å; V96-D98 PolarHBondContact O-N 2.86Å; V96-L99 HydrophobicContact CG1-CD1 4.06Å; V96-L99 VanDerWaalsContact O-CB 3.22Å; V96-L99 WeakPolarHBondContact O-CB 3.31Å; V96-L99 WeakPolarHBondContact O-CG 3.21Å; V96-L99 PolarHBondContact O-N 2.88Å
97	D	94.3	Very high	91.8	Very high	133 Å²	133	120.4 Å²	120.4	71%	0.711	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-27.8	-177.1	-52.9	-34.7	0	0	0	113.1	K95 L99	K95-D97 VanDerWaalsContact C-N 3.29Å; K95-D97 PolarHBondContact O-N 3.23Å; D97-L99 PolarHBondContact O-N 3.45Å
98	D	93.8	Very high	91	Very high	82 Å²	82	122.3 Å²	122.3	44%	0.439	60%	0.599	S	S	.	*	H	α-helix	trans	-70.4	-13.3	178.1	-65.8	-27.8	0	0	0	113.1	V96 T102	V96-D98 PolarHBondContact O-N 2.86Å; D98-T102 PolarHBondContact O-N 3.33Å; D98-T102 VanDerWaalsContact O-N 3.16Å; D98-T102 PolarHBondContact O-OG1 3.21Å
99	L	92.6	Very high	90	Very high	84 Å²	84	123.6 Å²	123.6	44%	0.44	60%	0.601	S	S	.	*	H	α-helix	trans	-63.2	-41.8	178	-73.1	172.1	0	0	0	111.9	F94 V96 D97 T102 V103	F94-L99 HydrophobicContact CE2-CD2 4.3Å; F94-L99 HydrophobicContact CZ-CD1 4.04Å; F94-L99 HydrophobicContact CZ-CD2 3.91Å; F94-L99 HydrophobicContact CZ-CG 3.91Å; V96-L99 HydrophobicContact CG1-CD1 4.06Å; V96-L99 VanDerWaalsContact O-CB 3.22Å; V96-L99 WeakPolarHBondContact O-CB 3.31Å; V96-L99 WeakPolarHBondContact O-CG 3.21Å; V96-L99 PolarHBondContact O-N 2.88Å; D97-L99 PolarHBondContact O-N 3.45Å; L99-T102 PolarHBondContact O-N 3.38Å; L99-V103 VanDerWaalsContact O-CG2 3.29Å; L99-V103 WeakPolarHBondContact O-CG2 3.3Å; L99-V103 PolarHBondContact O-N 2.97Å
100	L	91.4	Very high	88.8	Confident	111 Å²	111	127.5 Å²	127.5	58%	0.581	61%	0.608	S	S	*	*	H	α-helix	trans	-61.5	-51.5	-177.6	179.6	60.9	0	0	0	110.5	T102 V103 E104	L100-T102 VanDerWaalsContact C-N 3.27Å; L100-T102 PolarHBondContact O-N 3.37Å; L100-V103 PolarHBondContact O-N 3.17Å; L100-V103 VanDerWaalsContact O-N 3.1Å; L100-E104 HydrophobicContact CD1-CG 4.07Å; L100-E104 HydrophobicContact CG-CG 4.37Å; L100-E104 WeakPolarHBondContact O-CG 3.32Å; L100-E104 PolarHBondContact O-N 3.05Å
101	K	91.2	Very high	87.1	Confident	143 Å²	143	125.5 Å²	125.5	62%	0.622	61%	0.613	S	S	*	*	H	α-helix	trans	-56.4	-42.2	178.1	-63.6	177.7	-177.8	171.2	0	112	K105	K101-K105 WeakPolarHBondContact O-CB 3.21Å; K101-K105 PolarHBondContact O-N 2.63Å; K101-K105 VanDerWaalsContact O-N 3.1Å
102	T	89.6	Confident	85.4	Confident	75 Å²	75	121.6 Å²	121.6	46%	0.46	61%	0.614	S	S	.	*	H	α-helix	trans	-65.2	-43	178.8	-54.9	0	0	0	0	111.5	D98 L99 L100 M106	D98-T102 PolarHBondContact O-N 3.33Å; D98-T102 VanDerWaalsContact O-N 3.16Å; D98-T102 PolarHBondContact O-OG1 3.21Å; L99-T102 PolarHBondContact O-N 3.38Å; L100-T102 VanDerWaalsContact C-N 3.27Å; L100-T102 PolarHBondContact O-N 3.37Å; T102-M106 WeakPolarHBondContact O-CG 3.42Å; T102-M106 PolarHBondContact O-N 3.38Å; T102-M106 VanDerWaalsContact O-N 3.16Å
103	V	89.7	Confident	83.7	Confident	71 Å²	71	116.4 Å²	116.4	43%	0.43	60%	0.6	S	S	.	*	H	α-helix	trans	-70.6	-39.8	-179.8	171.2	0	0	0	0	111.7	L99 L100 M106 K107	L99-V103 VanDerWaalsContact O-CG2 3.29Å; L99-V103 WeakPolarHBondContact O-CG2 3.3Å; L99-V103 PolarHBondContact O-N 2.97Å; L100-V103 PolarHBondContact O-N 3.17Å; L100-V103 VanDerWaalsContact O-N 3.1Å; V103-M106 PolarHBondContact O-N 2.86Å; V103-K107 PolarHBondContact O-N 3.37Å
104	E	89.8	Confident	81.9	Confident	99 Å²	99	115 Å²	115	46%	0.463	60%	0.595	S	S	.	*	H	α-helix	trans	-62.6	-44.6	176.7	-73.8	173.1	159.8	0	0	111.4	L100 M106 K107 L108	L100-E104 HydrophobicContact CD1-CG 4.07Å; L100-E104 HydrophobicContact CG-CG 4.37Å; L100-E104 WeakPolarHBondContact O-CG 3.32Å; L100-E104 PolarHBondContact O-N 3.05Å; E104-M106 VanDerWaalsContact C-N 3.34Å; E104-M106 PolarHBondContact O-N 3.32Å; E104-K107 PolarHBondContact O-N 2.76Å; E104-K107 VanDerWaalsContact O-N 3.15Å; E104-L108 PolarHBondContact O-N 3.02Å
105	K	89.7	Confident	80.3	Confident	133 Å²	133	113.4 Å²	113.4	58%	0.578	59%	0.591	S	S	*	*	H	α-helix	trans	-57.2	-46.6	173.4	-174.9	179.6	176.4	-179.8	0	111.8	K101 K107 L108 E109	K101-K105 WeakPolarHBondContact O-CB 3.21Å; K101-K105 PolarHBondContact O-N 2.63Å; K101-K105 VanDerWaalsContact O-N 3.1Å; K105-K107 VanDerWaalsContact C-N 3.29Å; K105-K107 PolarHBondContact O-N 2.82Å; K105-L108 PolarHBondContact O-N 2.95Å; K105-E109 WeakPolarHBondContact CE-OE1 3.36Å; K105-E109 PolarHBondContact O-N 2.9Å
106	M	86.6	Confident	78.7	Confident	125 Å²	125	111 Å²	111	62%	0.616	59%	0.59	S	S	*	*	H	α-helix	trans	-63.8	-30.6	177.8	-75	-178.7	162.2	0	0	113.6	T102 V103 E104	T102-M106 WeakPolarHBondContact O-CG 3.42Å; T102-M106 PolarHBondContact O-N 3.38Å; T102-M106 VanDerWaalsContact O-N 3.16Å; V103-M106 PolarHBondContact O-N 2.86Å; E104-M106 VanDerWaalsContact C-N 3.34Å; E104-M106 PolarHBondContact O-N 3.32Å
107	K	80.5	Confident	77.8	Confident	148 Å²	148	106.4 Å²	106.4	64%	0.643	56%	0.563	S	S	*	*	H	α-helix	trans	-74.8	-38.3	177	-79.2	-177.7	176.3	-178.7	0	112.6	V103 E104 K105 E109 Q110	V103-K107 PolarHBondContact O-N 3.37Å; E104-K107 PolarHBondContact O-N 2.76Å; E104-K107 VanDerWaalsContact O-N 3.15Å; K105-K107 VanDerWaalsContact C-N 3.29Å; K105-K107 PolarHBondContact O-N 2.82Å; K107-E109 VanDerWaalsContact C-N 3.26Å; K107-E109 PolarHBondContact O-N 3.11Å; K107-Q110 PolarHBondContact O-N 3.21Å
108	L	76.9	Confident	77.4	Confident	152 Å²	152	102.5 Å²	102.5	80%	0.796	54%	0.54	S	S	*	.	H	α-helix	trans	-63.5	-32.7	176.6	-93.1	147.3	0	0	0	112.3	E104 K105 Q110	E104-L108 PolarHBondContact O-N 3.02Å; K105-L108 PolarHBondContact O-N 2.95Å; L108-Q110 VanDerWaalsContact C-N 3.27Å; L108-Q110 PolarHBondContact O-N 3.37Å
109	E	71.9	Confident	77.2	Confident	138 Å²	138	98.6 Å²	98.6	65%	0.645	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-5.6	177.4	-68.1	172.2	-174.3	0	0	113.4	K105 K107	K105-E109 WeakPolarHBondContact CE-OE1 3.36Å; K105-E109 PolarHBondContact O-N 2.9Å; K107-E109 VanDerWaalsContact C-N 3.26Å; K107-E109 PolarHBondContact O-N 3.11Å
110	Q	70.3	Confident	77.1	Confident	150 Å²	150	97.1 Å²	97.1	70%	0.701	51%	0.51	S	S	*	.	S	Bend	trans	-103.6	95.3	-175.5	-156.8	173.1	36.6	0	0	110.6	K107 L108 S112	K107-Q110 PolarHBondContact O-N 3.21Å; L108-Q110 VanDerWaalsContact C-N 3.27Å; L108-Q110 PolarHBondContact O-N 3.37Å; Q110-S112 PolarHBondContact O-N 2.84Å
111	D	56	Low	77.1	Confident	159 Å²	159	91.8 Å²	91.8	85%	0.85	48%	0.482	S	S	*	.			trans	-57.8	103.4	174.7	-77.5	-30.1	0	0	0	110.9	P113	D111-P113 WeakPolarHBondContact O-CD 3.24Å
112	S	57.5	Low	77.2	Confident	106 Å²	106	86.2 Å²	86.2	74%	0.741	46%	0.46	S	S	*	.			trans	-81	118.4	167.1	55.9	0	0	0	0	108.7	Q110 S114	Q110-S112 PolarHBondContact O-N 2.84Å; S112-S114 PolarHBondContact O-N 2.83Å
113	P	57.6	Low	77.4	Confident	84 Å²	84	82.7 Å²	82.7	55%	0.545	44%	0.438	S	S	.	.			trans	-58.2	135.2	173.6	22.9	-31.1	0	0	0	109.4	D111 L115	D111-P113 WeakPolarHBondContact O-CD 3.24Å; P113-L115 HydrophobicContact CG-CD2 4.46Å; P113-L115 WeakPolarHBondContact O-CG 3.45Å; P113-L115 PolarHBondContact O-N 2.91Å; P113-L115 VanDerWaalsContact O-N 3.13Å
114	S	57.9	Low	77.4	Confident	84 Å²	84	81.4 Å²	81.4	59%	0.587	43%	0.431	S	S	*	.			trans	-60.8	112.2	172.5	171.5	0	0	0	0	109.2	S112 S116	S112-S114 PolarHBondContact O-N 2.83Å; S114-S116 VanDerWaalsContact C-N 3.35Å
115	L	59.9	Low	77.3	Confident	75 Å²	75	76.7 Å²	76.7	39%	0.393	41%	0.409	S	S	.	.			trans	-94	21.1	-175.9	-64	177.2	0	0	0	113.2	P113 S117 F265	P113-L115 HydrophobicContact CG-CD2 4.46Å; P113-L115 WeakPolarHBondContact O-CG 3.45Å; P113-L115 PolarHBondContact O-N 2.91Å; P113-L115 VanDerWaalsContact O-N 3.13Å; L115-S117 PolarHBondContact O-N 2.88Å; L115-F265 HydrophobicContact CD1-CE1 3.87Å; L115-F265 HydrophobicContact CD1-CZ 4.13Å; L115-F265 HydrophobicContact CD2-CE1 3.76Å; L115-F265 HydrophobicContact CD2-CZ 3.87Å; L115-F265 HydrophobicContact CG-CE1 4.47Å
116	S	61.1	Low	77.3	Confident	78 Å²	78	70.3 Å²	70.3	55%	0.545	38%	0.381	S	S	.	.			trans	-75.9	1.4	-178	67.8	0	0	0	0	114.2	S114	S114-S116 VanDerWaalsContact C-N 3.35Å
117	S	74.9	Confident	77.4	Confident	4 Å²	4	66.8 Å²	66.8	3%	0.028	36%	0.362	C	S	.	.			trans	-85.7	137.8	-177.6	49.7	0	0	0	0	113.3	L115 S196 W324 T325 T333	L115-S117 PolarHBondContact O-N 2.88Å; S117-S196 WeakPolarHBondContact O-CB 3.31Å; S117-W324 WeakPolarHBondContact O-CZ3 3.35Å; S117-T325 CarbonylContact C-O 3.58Å; S117-T325 WeakPolarHBondContact CA-O 3.48Å; S117-T333 WeakPolarHBondContact CB-OG1 3.25Å; S117-T333 PolarHBondContact OG-OG1 2.79Å
118	H	85.9	Confident	77.6	Confident	52 Å²	52	61.3 Å²	61.3	24%	0.241	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	154.1	167.8	-57.8	75.5	0	0	0	110.5	L193 W324 T325 G326	H118-L193 HydrophobicContact CB-CD1 3.85Å; H118-L193 HydrophobicContact CB-CG 4.31Å; H118-W324 CarbonylContact O-C 3.44Å; H118-W324 VanDerWaalsContact O-CA 3.31Å; H118-W324 WeakPolarHBondContact O-CA 3.35Å; H118-T325 WeakPolarHBondContact CA-O 3.32Å; H118-T325 WeakPolarHBondContact CB-O 3.38Å; H118-T325 PolarHBondContact N-O 3.01Å; H118-T325 PolarHBondContact O-N 2.83Å; H118-G326 PolarHBondContact ND1-O 3.38Å; H118-G326 VanDerWaalsContact ND1-O 3.14Å
119	L	89.7	Confident	77.5	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	111.9	178.4	171.1	64.3	0	0	0	109.9	V194 F199 L212 V264 L322 W324	L119-V194 HydrophobicContact CB-CB 4.1Å; L119-V194 HydrophobicContact CD2-CB 4.46Å; L119-V194 HydrophobicContact CD2-CG2 4.38Å; L119-V194 HydrophobicContact CG-CB 4.47Å; L119-V194 PolarHBondContact N-O 3.2Å; L119-V194 PolarHBondContact O-N 2.94Å; L119-F199 HydrophobicContact CB-CE2 4.3Å; L119-F199 HydrophobicContact CD2-CZ 4.1Å; L119-L212 HydrophobicContact CD2-CD1 3.94Å; L119-V264 HydrophobicContact CD2-CG1 4.45Å; L119-L322 HydrophobicContact CD1-CD1 3.88Å; L119-L322 HydrophobicContact CD1-CD2 3.5Å; L119-L322 HydrophobicContact CD1-CG 3.52Å; L119-W324 HydrophobicContact CB-CD2 4.4Å; L119-W324 HydrophobicContact CB-CE3 3.96Å; L119-W324 HydrophobicContact CB-CH2 3.97Å; L119-W324 HydrophobicContact CB-CZ2 4.36Å; L119-W324 HydrophobicContact CB-CZ3 3.76Å; L119-W324 HydrophobicContact CD1-CD2 4.09Å; L119-W324 HydrophobicContact CD1-CE3 4.48Å; L119-W324 HydrophobicContact CD1-CH2 4.39Å; L119-W324 HydrophobicContact CD1-CZ2 3.94Å; L119-W324 HydrophobicContact CD2-CH2 4.16Å; L119-W324 HydrophobicContact CD2-CZ2 4.17Å; L119-W324 HydrophobicContact CG-CH2 4.42Å; L119-W324 HydrophobicContact CG-CZ2 4.41Å
120	Q	90.9	Very high	76.9	Confident	52 Å²	52	59 Å²	59	24%	0.243	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.4	177.9	-172.4	177	4	0	0	110.8	L193 L322 R323	Q120-L193 HydrophobicContact CB-CD1 3.97Å; Q120-L193 HydrophobicContact CG-CD1 4.43Å; Q120-L322 WeakPolarHBondContact O-CA 3.4Å; Q120-R323 PolarHBondContact N-O 2.83Å; Q120-R323 PolarHBondContact O-N 3.47Å
121	L	92.2	Very high	75.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.9	176.6	-59	167.3	0	0	0	108.6	F123 V148 S191 L192 V194 L212 F214 F320 T321 L322	L121-F123 HydrophobicContact CB-CE2 4.01Å; L121-F123 HydrophobicContact CB-CZ 3.78Å; L121-F123 HydrophobicContact CD1-CZ 4.16Å; L121-V148 HydrophobicContact CD1-CG1 4.31Å; L121-S191 CarbonylContact O-C 3.54Å; L121-S191 VanDerWaalsContact O-CA 3.25Å; L121-S191 WeakPolarHBondContact O-CA 2.97Å; L121-L192 PolarHBondContact N-O 2.62Å; L121-L192 PolarHBondContact O-N 3.02Å; L121-V194 HydrophobicContact CD1-CG2 4.35Å; L121-L212 HydrophobicContact CD1-CD1 3.91Å; L121-L212 HydrophobicContact CD2-CD1 4.35Å; L121-F214 HydrophobicContact CD1-CE1 4.33Å; L121-F320 HydrophobicContact CD2-CD2 3.89Å; L121-F320 HydrophobicContact CD2-CE2 3.76Å; L121-T321 WeakPolarHBondContact CA-O 3.32Å; L121-L322 HydrophobicContact CD2-CB 4.13Å; L121-L322 HydrophobicContact CD2-CD1 3.8Å; L121-L322 HydrophobicContact CD2-CG 3.84Å
122	T	92.6	Very high	75.2	Confident	26 Å²	26	62.3 Å²	62.3	16%	0.16	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	110.5	177.2	-62.3	0	0	0	0	108.8	C189 S191 F320 T321	T122-C189 HydrophobicContact CG2-CB 3.64Å; T122-S191 WeakPolarHBondContact CG2-OG 3.36Å; T122-S191 PolarHBondContact OG1-OG 2.79Å; T122-F320 CarbonylContact O-C 3.59Å; T122-F320 WeakPolarHBondContact O-CA 3.15Å; T122-F320 VanDerWaalsContact O-CB 3.31Å; T122-F320 WeakPolarHBondContact O-CB 3.33Å; T122-T321 PolarHBondContact N-O 3.38Å; T122-T321 PolarHBondContact O-N 2.83Å
123	F	93.3	Very high	74.5	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125.6	-173.9	-55.8	-82.9	0	0	0	110.5	L121 L146 V148 V175 C189 P190 L192 F214 L318 F320	L121-F123 HydrophobicContact CB-CE2 4.01Å; L121-F123 HydrophobicContact CB-CZ 3.78Å; L121-F123 HydrophobicContact CD1-CZ 4.16Å; F123-L146 HydrophobicContact CD1-CD2 3.37Å; F123-L146 HydrophobicContact CD2-CD2 3.84Å; F123-L146 HydrophobicContact CE1-CD2 3.41Å; F123-L146 VanDerWaalsContact CE1-CD2 3.41Å; F123-L146 HydrophobicContact CE2-CD2 3.85Å; F123-L146 HydrophobicContact CG-CD2 3.62Å; F123-L146 HydrophobicContact CZ-CD2 3.67Å; F123-V148 HydrophobicContact CE1-CG2 4.48Å; F123-V148 HydrophobicContact CE2-CG2 4.21Å; F123-V148 HydrophobicContact CZ-CG2 3.67Å; F123-V175 HydrophobicContact CB-CG1 4.16Å; F123-V175 HydrophobicContact CB-CG2 3.95Å; F123-V175 HydrophobicContact CG-CG2 4.32Å; F123-C189 WeakPolarHBondContact O-CB 3.45Å; F123-P190 HydrophobicContact CB-CG 4.24Å; F123-P190 WeakPolarHBondContact CD2-O 3.49Å; F123-P190 PolarHBondContact N-O 2.81Å; F123-P190 WeakPolarHBondContact O-CD 3.44Å; F123-L192 HydrophobicContact CE2-CB 4.05Å; F123-F214 HydrophobicContact CE1-CD1 4.03Å; F123-F214 AromaticContact CE1-CE1 3.77Å; F123-F214 HydrophobicContact CE1-CE1 3.77Å; F123-F214 HydrophobicContact CZ-CD1 4.41Å; F123-F214 HydrophobicContact CZ-CE1 4.03Å; F123-L318 HydrophobicContact CD1-CD1 4.28Å; F123-L318 HydrophobicContact CD1-CD2 4.25Å; F123-L318 HydrophobicContact CD1-CG 4.43Å; F123-L318 HydrophobicContact CE1-CD2 4.27Å; F123-F320 HydrophobicContact CB-CB 4.42Å; F123-F320 HydrophobicContact CD1-CB 3.55Å; F123-F320 HydrophobicContact CD1-CD1 4.38Å; F123-F320 HydrophobicContact CD1-CG 4.1Å; F123-F320 HydrophobicContact CE1-CB 4.01Å; F123-F320 HydrophobicContact CE1-CD1 4.33Å; F123-F320 HydrophobicContact CE1-CG 4.09Å; F123-F320 HydrophobicContact CG-CB 4.22Å
124	T	89.9	Confident	73.7	Confident	44 Å²	44	63.2 Å²	63.2	27%	0.27	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-40.4	-179.1	52.7	0	0	0	0	111.3	P176 Q319	T124-P176 WeakPolarHBondContact O-CG 3.43Å; T124-Q319 PolarHBondContact N-O 3Å; T124-Q319 WeakPolarHBondContact OG1-CB 3.34Å; T124-Q319 PolarHBondContact OG1-O 3Å
125	G	88.8	Confident	73	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.8	160.4	179.9	0	0	0	0	0	113.9	Q319	G125-Q319 PolarHBondContact O-N 2.97Å
126	F	89.9	Confident	72.3	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.3	166	175.8	-104.8	0	0	0	108.7	H128 V144 P176 L177 N178 V216 Y258 M282 P316 T317 L318	F126-H128 HydrophobicContact CD1-CB 4.42Å; F126-H128 HydrophobicContact CE1-CB 3.71Å; F126-H128 HydrophobicContact CZ-CB 4.15Å; F126-V144 HydrophobicContact CB-CG2 3.67Å; F126-V144 HydrophobicContact CD1-CG1 4.22Å; F126-V144 HydrophobicContact CD1-CG2 3.79Å; F126-V144 HydrophobicContact CG-CG2 3.93Å; F126-P176 PolarHBondContact N-O 2.78Å; F126-L177 HydrophobicContact CD1-CD1 3.6Å; F126-L177 HydrophobicContact CE1-CD1 4.09Å; F126-N178 PolarHBondContact O-N 2.9Å; F126-V216 HydrophobicContact CD1-CG1 4.17Å; F126-V216 HydrophobicContact CD2-CB 4.46Å; F126-V216 HydrophobicContact CD2-CG1 4.16Å; F126-V216 HydrophobicContact CD2-CG2 4.07Å; F126-V216 HydrophobicContact CE1-CG1 4.17Å; F126-V216 HydrophobicContact CE2-CB 4.32Å; F126-V216 HydrophobicContact CE2-CG1 4.15Å; F126-V216 HydrophobicContact CE2-CG2 4.3Å; F126-V216 HydrophobicContact CG-CG1 4.16Å; F126-V216 HydrophobicContact CZ-CG1 4.16Å; F126-Y258 AromaticContact CZ-CD2 3.87Å; F126-Y258 HydrophobicContact CZ-CD2 3.87Å; F126-Y258 HydrophobicContact CZ-CE2 4.35Å; F126-Y258 HydrophobicContact CZ-CG 4.17Å; F126-M282 HydrophobicContact CD2-CG 4.46Å; F126-M282 HydrophobicContact CE2-CB 4.28Å; F126-M282 HydrophobicContact CE2-CG 3.98Å; F126-P316 HydrophobicContact CE2-CB 3.82Å; F126-P316 HydrophobicContact CZ-CB 3.58Å; F126-T317 CarbonylContact C-O 3.56Å; F126-T317 WeakPolarHBondContact CA-O 3.44Å; F126-T317 VanDerWaalsContact CD2-O 3.3Å; F126-T317 WeakPolarHBondContact CD2-O 3.23Å; F126-L318 HydrophobicContact CB-CD1 4.32Å; F126-L318 HydrophobicContact CD2-CB 4.44Å
127	F	87.6	Confident	71.5	Confident	51 Å²	51	69.9 Å²	69.9	22%	0.224	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.5	-175.5	-60.9	-89.2	0	0	0	109.9	N178 P179 P316 T317 Q319	F127-N178 VanDerWaalsContact CA-OD1 3.22Å; F127-N178 WeakPolarHBondContact CA-OD1 3.48Å; F127-P179 HydrophobicContact CE1-CG 4.15Å; F127-P179 HydrophobicContact CZ-CG 3.89Å; F127-P316 CarbonylContact O-C 3.56Å; F127-P316 WeakPolarHBondContact O-CA 3.46Å; F127-T317 PolarHBondContact N-O 2.79Å; F127-T317 PolarHBondContact O-N 3.49Å; F127-Q319 HydrophobicContact CD2-CG 3.97Å; F127-Q319 HydrophobicContact CE2-CB 3.99Å; F127-Q319 HydrophobicContact CE2-CG 3.71Å; F127-Q319 VanDerWaalsContact CE2-OE1 3.23Å
128	H	85.4	Confident	70	Confident	32 Å²	32	79.4 Å²	79.4	15%	0.148	40%	0.402	C	S	.	.			trans	-147.5	128.6	177.8	-175	60.2	0	0	0	109.6	F126 D130 N178 R218 Y258 P316	F126-H128 HydrophobicContact CD1-CB 4.42Å; F126-H128 HydrophobicContact CE1-CB 3.71Å; F126-H128 HydrophobicContact CZ-CB 4.15Å; H128-D130 IonicContact CD2-OD1 2.69Å; H128-D130 PolarHBondContact CD2-OD1 2.8Å; H128-D130 IonicContact NE2-OD1 3.92Å; H128-N178 PolarHBondContact N-OD1 2.9Å; H128-N178 PolarHBondContact O-ND2 2.84Å; H128-N178 PolarHBondContact O-OD1 2.62Å; H128-R218 PolarHBondContact CD2-NH1 3.21Å; H128-Y258 PolarHBondContact NE2-OH 2.81Å; H128-P316 HydrophobicContact CB-CB 4.18Å; H128-P316 WeakPolarHBondContact ND1-CB 3.36Å
129	K	74.3	Confident	68.3	Low	163 Å²	163	83.1 Å²	83.1	71%	0.709	42%	0.424	S	S	*	.			trans	-89.1	110.5	177.9	-69	178.9	179.1	169.7	0	108.7	S313	K129-S313 PolarHBondContact NZ-O 2.81Å
130	D	60.2	Low	66.7	Low	78 Å²	78	89.1 Å²	89.1	42%	0.417	45%	0.452	S	S	.	.			trans	-77.9	126.2	167.7	-71.1	-33.4	0	0	0	109.4	H128 K132 R218	H128-D130 IonicContact CD2-OD1 2.69Å; H128-D130 PolarHBondContact CD2-OD1 2.8Å; H128-D130 IonicContact NE2-OD1 3.92Å; D130-K132 PolarHBondContact O-N 2.77Å; D130-K132 VanDerWaalsContact O-N 3.16Å; D130-R218 IonicContact OD1-CZ 3.52Å; D130-R218 IonicContact OD1-NH1 3.52Å; D130-R218 PolarHBondContact OD1-NH1 3.5Å; D130-R218 IonicContact OD1-NH2 3.98Å; D130-R218 PolarHBondContact OD1-NH2 3.14Å; D130-R218 IonicContact OD2-CZ 3.77Å; D130-R218 IonicContact OD2-NH1 2.87Å; D130-R218 IonicContact OD2-NH2 2.85Å; D130-R218 PolarHBondContact OD2-NH2 2.7Å
131	E	47.5	Very low	65.2	Low	198 Å²	198	91.8 Å²	91.8	93%	0.925	46%	0.464	S	S	*	.	S	Bend	trans	-71.7	-1.2	-179.6	-76.1	-149.5	149.6	0	0	114.5
132	K	43.2	Very low	64.3	Low	182 Å²	182	98.5 Å²	98.5	79%	0.791	50%	0.495	S	S	*	.			trans	-141.5	112.4	174.1	-68.1	-173.3	-178.3	178.6	0	111.8	D130 S134	D130-K132 PolarHBondContact O-N 2.77Å; D130-K132 VanDerWaalsContact O-N 3.16Å; K132-S134 PolarHBondContact O-N 2.85Å
133	P	40.9	Very low	63.8	Low	121 Å²	121	99.5 Å²	99.5	79%	0.786	50%	0.503	S	S	*	.			trans	-71.8	110	164.8	27.7	-28.3	0	0	0	108.3	Q135	P133-Q135 PolarHBondContact O-N 2.92Å
134	S	41.8	Very low	63.6	Low	88 Å²	88	99.7 Å²	99.7	62%	0.615	50%	0.504	S	S	*	.			trans	-69.8	100.2	166.1	56.2	0	0	0	0	107.9	K132 N136	K132-S134 PolarHBondContact O-N 2.85Å; S134-N136 PolarHBondContact O-N 2.79Å
135	Q	43.4	Very low	63.6	Low	176 Å²	176	99.1 Å²	99.1	82%	0.822	50%	0.503	S	S	*	.	S	Bend	trans	-58.6	123.4	165.3	-74.2	-178	-18.2	0	0	107.8	P133	P133-Q135 PolarHBondContact O-N 2.92Å
136	N	45.6	Very low	63.8	Low	160 Å²	160	99.2 Å²	99.2	86%	0.856	50%	0.503	S	S	*	.			trans	85.7	86.4	179.3	-53.1	-17.4	0	0	0	116.4	S134	S134-N136 PolarHBondContact O-N 2.79Å
137	S	43.7	Very low	64	Low	41 Å²	41	100.5 Å²	100.5	29%	0.287	51%	0.509	S	S	.	.			trans	-159.6	127.7	133.1	68.6	0	0	0	0	112.2	N139 R221	S137-N139 PolarHBondContact O-N 2.89Å; S137-R221 VanDerWaalsContact OG-CZ 3.3Å; S137-R221 PolarHBondContact OG-NH1 3.41Å; S137-R221 VanDerWaalsContact OG-NH1 3.15Å; S137-R221 PolarHBondContact OG-NH2 2.93Å
138	E	43.9	Very low	64.3	Low	204 Å²	204	98.1 Å²	98.1	95%	0.953	50%	0.499	S	S	*	.	S	Bend	trans	-67.9	21.2	178	-63.1	-177.5	141.3	0	0	114.8
139	N	48.7	Very low	64.7	Low	129 Å²	129	97 Å²	97	69%	0.69	49%	0.494	S	S	*	.			trans	-134.5	46.7	-177.1	-92.2	-18.5	0	0	0	110.2	S137 Q141 R221	S137-N139 PolarHBondContact O-N 2.89Å; N139-Q141 PolarHBondContact O-N 3.32Å; N139-R221 PolarHBondContact O-NH2 2.89Å
140	E	56.3	Low	65.7	Low	127 Å²	127	89.3 Å²	89.3	59%	0.593	46%	0.46	S	S	*	.			trans	-64.7	126.3	172.1	-73.7	-170.5	165.7	0	0	109.9	H142	E140-H142 PolarHBondContact O-CD2 3.48Å; E140-H142 VanDerWaalsContact O-CD2 3.27Å; E140-H142 PolarHBondContact O-N 3.3Å
141	Q	59.6	Low	67.2	Low	108 Å²	108	85.9 Å²	85.9	51%	0.505	44%	0.442	S	S	.	.			trans	-75.8	91.8	179.8	-130.7	160.8	1.6	0	0	108.6	N139 S143 T219	N139-Q141 PolarHBondContact O-N 3.32Å; Q141-S143 PolarHBondContact O-N 3.16Å; Q141-S143 VanDerWaalsContact O-N 3.12Å; Q141-T219 PolarHBondContact NE2-OG1 2.78Å; Q141-T219 PolarHBondContact OE1-O 3.11Å; Q141-T219 PolarHBondContact OE1-OG1 3.03Å
142	H	73.1	Confident	69.4	Low	140 Å²	140	77.6 Å²	77.6	65%	0.648	40%	0.403	S	S	*	.			trans	-69.7	-2.6	-176.7	-66	-65.2	0	0	0	114.8	E140 P176 L177	E140-H142 PolarHBondContact O-CD2 3.48Å; E140-H142 VanDerWaalsContact O-CD2 3.27Å; E140-H142 PolarHBondContact O-N 3.3Å; H142-P176 WeakPolarHBondContact O-CA 3.41Å; H142-L177 PolarHBondContact O-N 3.37Å
143	S	82.6	Confident	71.7	Confident	47 Å²	47	70.1 Å²	70.1	33%	0.329	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	146.6	179.5	63.8	0	0	0	0	112.2	Q141 V175	Q141-S143 PolarHBondContact O-N 3.16Å; Q141-S143 VanDerWaalsContact O-N 3.12Å; S143-V175 CarbonylContact C-O 3.5Å; S143-V175 VanDerWaalsContact CA-O 3.24Å; S143-V175 WeakPolarHBondContact CA-O 3.3Å; S143-V175 WeakPolarHBondContact CB-O 3.5Å
144	V	88.5	Confident	74.2	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.024	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	148.2	173.1	-67.7	0	0	0	0	111.2	F126 L146 Q174 V175 L177 V216 R218	F126-V144 HydrophobicContact CB-CG2 3.67Å; F126-V144 HydrophobicContact CD1-CG1 4.22Å; F126-V144 HydrophobicContact CD1-CG2 3.79Å; F126-V144 HydrophobicContact CG-CG2 3.93Å; V144-L146 PolarHBondContact O-N 3.15Å; V144-Q174 PolarHBondContact O-OE1 3.4Å; V144-Q174 VanDerWaalsContact O-OE1 3.14Å; V144-V175 HydrophobicContact CG2-CB 4.49Å; V144-V175 PolarHBondContact N-O 3.13Å; V144-V175 PolarHBondContact O-N 2.83Å; V144-L177 HydrophobicContact CG1-CB 4.3Å; V144-L177 HydrophobicContact CG1-CD1 4.05Å; V144-L177 HydrophobicContact CG1-CD2 4.48Å; V144-V216 HydrophobicContact CB-CG1 3.76Å; V144-V216 HydrophobicContact CG1-CG1 4.43Å; V144-V216 HydrophobicContact CG2-CG1 3.61Å; V144-R218 HydrophobicContact CG1-CB 4.37Å; V144-R218 HydrophobicContact CG1-CG 4.48Å
145	S	91.4	Very high	76.5	Confident	33 Å²	33	65.5 Å²	65.5	23%	0.231	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	114.5	178.7	166.8	0	0	0	0	110	V216 S217	S145-V216 WeakPolarHBondContact O-CA 3.13Å; S145-S217 WeakPolarHBondContact CB-OG 3.48Å; S145-S217 PolarHBondContact N-O 3.39Å; S145-S217 PolarHBondContact O-N 3Å; S145-S217 PolarHBondContact O-OG 2.87Å
146	L	92.8	Very high	78.9	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.7	173.6	173.5	67.1	0	0	0	110.5	F123 V144 V148 K172 K173 V175 F214 R215 V216 L318	F123-L146 HydrophobicContact CD1-CD2 3.37Å; F123-L146 HydrophobicContact CD2-CD2 3.84Å; F123-L146 HydrophobicContact CE1-CD2 3.41Å; F123-L146 VanDerWaalsContact CE1-CD2 3.41Å; F123-L146 HydrophobicContact CE2-CD2 3.85Å; F123-L146 HydrophobicContact CG-CD2 3.62Å; F123-L146 HydrophobicContact CZ-CD2 3.67Å; V144-L146 PolarHBondContact O-N 3.15Å; L146-V148 HydrophobicContact CD2-CG2 4.18Å; L146-V148 HydrophobicContact CG-CG2 4.13Å; L146-K172 CarbonylContact O-C 3.46Å; L146-K172 VanDerWaalsContact O-CA 3.26Å; L146-K172 WeakPolarHBondContact O-CA 3.37Å; L146-K173 PolarHBondContact N-O 3.24Å; L146-K173 PolarHBondContact O-N 3.4Å; L146-V175 HydrophobicContact CB-CG2 3.66Å; L146-V175 HydrophobicContact CD2-CG2 3.74Å; L146-V175 HydrophobicContact CG-CG2 4.35Å; L146-F214 HydrophobicContact CD1-CB 4.1Å; L146-F214 HydrophobicContact CD1-CD1 4.43Å; L146-R215 CarbonylContact C-O 3.35Å; L146-R215 WeakPolarHBondContact CA-O 3.17Å; L146-V216 HydrophobicContact CB-CG2 4.41Å; L146-V216 HydrophobicContact CD1-CG2 3.58Å; L146-L318 HydrophobicContact CD1-CD2 4.01Å; L146-L318 HydrophobicContact CD2-CD1 4.33Å; L146-L318 HydrophobicContact CD2-CD2 4.22Å
147	E	93.9	Very high	81.1	Confident	27 Å²	27	61.5 Å²	61.5	13%	0.126	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130	168	-178.9	178	-135.5	0	0	109.9	L149 K172 R215	E147-L149 HydrophobicContact CG-CD1 3.81Å; E147-L149 HydrophobicContact CG-CG 4.15Å; E147-K172 HydrophobicContact CB-CG 3.92Å; E147-K172 HydrophobicContact CG-CD 4.46Å; E147-K172 HydrophobicContact CG-CG 3.9Å; E147-K172 WeakPolarHBondContact OE1-CE 3.37Å; E147-K172 IonicContact OE1-NZ 3.45Å; E147-R215 HydrophobicContact CB-CB 4.33Å; E147-R215 PolarHBondContact N-O 3.34Å; E147-R215 PolarHBondContact O-N 3.03Å; E147-R215 IonicContact OE2-CZ 3.53Å; E147-R215 IonicContact OE2-NH1 3.14Å; E147-R215 PolarHBondContact OE2-NH1 3.45Å
148	V	93.9	Very high	83.5	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.012	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.2	174.8	-171.8	0	0	0	0	109	L121 F123 L146 T170 G171 L192 L212 L213 F214	L121-V148 HydrophobicContact CD1-CG1 4.31Å; F123-V148 HydrophobicContact CE1-CG2 4.48Å; F123-V148 HydrophobicContact CE2-CG2 4.21Å; F123-V148 HydrophobicContact CZ-CG2 3.67Å; L146-V148 HydrophobicContact CD2-CG2 4.18Å; L146-V148 HydrophobicContact CG-CG2 4.13Å; V148-T170 PolarHBondContact O-N 3.41Å; V148-G171 PolarHBondContact N-O 2.98Å; V148-G171 PolarHBondContact O-N 3.03Å; V148-L192 HydrophobicContact CB-CD2 3.51Å; V148-L192 HydrophobicContact CG1-CD2 3.89Å; V148-L192 HydrophobicContact CG2-CD2 3.66Å; V148-L212 HydrophobicContact CG1-CD2 4.22Å; V148-L213 WeakPolarHBondContact CA-O 3.47Å; V148-F214 HydrophobicContact CG1-CD1 4.18Å; V148-F214 HydrophobicContact CG1-CE1 4.03Å; V148-F214 HydrophobicContact CG2-CD1 3.96Å; V148-F214 HydrophobicContact CG2-CE1 4.24Å
149	L	93.8	Very high	85.9	Confident	9 Å²	9	70.9 Å²	70.9	5%	0.047	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.4	177	-52.9	100.5	0	0	0	110.8	E147 V151 Q167 V168 L212 L213	E147-L149 HydrophobicContact CG-CD1 3.81Å; E147-L149 HydrophobicContact CG-CG 4.15Å; L149-V151 PolarHBondContact O-N 3.1Å; L149-Q167 HydrophobicContact CD2-CB 4.14Å; L149-V168 CarbonylContact C-O 3.51Å; L149-V168 WeakPolarHBondContact CA-O 3.34Å; L149-L212 CarbonylContact O-C 3.5Å; L149-L212 WeakPolarHBondContact O-CA 3.43Å; L149-L213 HydrophobicContact CB-CB 4.33Å; L149-L213 HydrophobicContact CD1-CD2 4.13Å; L149-L213 HydrophobicContact CD1-CG 4.26Å; L149-L213 PolarHBondContact N-O 3.38Å; L149-L213 PolarHBondContact O-N 2.87Å
150	L	93.8	Very high	88	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	110.6	165.9	179.4	64.2	0	0	0	109.5	K152 V168 T170 V194 E198 F199 Y210 L212	L150-K152 HydrophobicContact CG-CG 4.35Å; L150-V168 HydrophobicContact CB-CB 4.4Å; L150-V168 PolarHBondContact N-O 2.91Å; L150-V168 PolarHBondContact O-N 3.2Å; L150-T170 PolarHBondContact N-OG1 3.09Å; L150-V194 HydrophobicContact CD2-CG1 4.44Å; L150-E198 HydrophobicContact CD2-CB 3.64Å; L150-E198 HydrophobicContact CD2-CG 4.32Å; L150-F199 HydrophobicContact CD1-CE1 3.65Å; L150-F199 HydrophobicContact CD1-CZ 4.23Å; L150-F199 HydrophobicContact CD2-CE1 4.17Å; L150-Y210 HydrophobicContact CD1-CD1 4.37Å; L150-L212 HydrophobicContact CD1-CD2 4.28Å
151	V	93.4	Very high	89.7	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.03	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	110.4	177.6	-173.7	0	0	0	0	109.4	L149 V153 I165 Q167 S211 L213	L149-V151 PolarHBondContact O-N 3.1Å; V151-V153 HydrophobicContact CG1-CG2 4.42Å; V151-I165 HydrophobicContact CG1-CG2 3.46Å; V151-I165 VanDerWaalsContact CG1-CG2 3.46Å; V151-Q167 HydrophobicContact CG2-CG 4.3Å; V151-S211 WeakPolarHBondContact CA-O 3.47Å; V151-S211 PolarHBondContact N-O 2.9Å; V151-S211 PolarHBondContact O-N 2.84Å; V151-L213 HydrophobicContact CG2-CB 3.6Å; V151-L213 HydrophobicContact CG2-CD2 4.23Å
152	K	92.8	Very high	91.2	Very high	24 Å²	24	64.2 Å²	64.2	10%	0.104	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	113.9	173	-53.1	-169.9	-172.3	-167.5	0	108.9	L150 K166 E198 V207 Y210	L150-K152 HydrophobicContact CG-CG 4.35Å; K152-K166 HydrophobicContact CB-CB 4.41Å; K152-K166 PolarHBondContact N-O 3.15Å; K152-K166 PolarHBondContact O-N 3.47Å; K152-E198 WeakPolarHBondContact CE-O 3.47Å; K152-E198 WeakPolarHBondContact CE-OE2 3.29Å; K152-E198 PolarHBondContact NZ-O 2.8Å; K152-E198 IonicContact NZ-OE2 3.59Å; K152-E198 PolarHBondContact NZ-OE2 3.15Å; K152-V207 HydrophobicContact CB-CG1 4.05Å; K152-Y210 HydrophobicContact CD-CD1 4.3Å; K152-Y210 HydrophobicContact CD-CE1 3.87Å; K152-Y210 HydrophobicContact CG-CD1 3.91Å; K152-Y210 HydrophobicContact CG-CE1 3.97Å
153	V	92.6	Very high	92.1	Very high	26 Å²	26	59.3 Å²	59.3	16%	0.158	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	117.1	174.3	-177.8	0	0	0	0	108.1	V151 C163 K208 S209	V151-V153 HydrophobicContact CG1-CG2 4.42Å; V153-C163 HydrophobicContact CG1-CB 3.87Å; V153-K208 WeakPolarHBondContact O-CA 3.22Å; V153-K208 VanDerWaalsContact O-CB 3.3Å; V153-K208 WeakPolarHBondContact O-CB 3.34Å; V153-K208 PolarHBondContact O-N 3.38Å; V153-S209 PolarHBondContact N-O 2.89Å; V153-S209 PolarHBondContact O-N 3.26Å
154	C	91.6	Very high	92.6	Very high	29 Å²	29	59.5 Å²	59.5	20%	0.196	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	158.5	-176.8	-61.9	0	0	0	0	112.6	K156 C163 P164 M206	C154-K156 PolarHBondContact O-N 3.1Å; C154-C163 VanDerWaalsContact O-CB 3.29Å; C154-C163 WeakPolarHBondContact O-CB 3.36Å; C154-P164 HydrophobicContact CB-CB 4.17Å; C154-P164 HydrophobicContact CB-CG 4.4Å; C154-P164 PolarHBondContact N-O 2.83Å; C154-M206 CarbonylContact C-O 3.51Å; C154-M206 VanDerWaalsContact CA-O 3.26Å; C154-M206 WeakPolarHBondContact CA-O 3.43Å; C154-M206 WeakPolarHBondContact CB-O 3.35Å
155	H	91.6	Very high	92.8	Very high	82 Å²	82	64.4 Å²	64.4	38%	0.38	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-64	131.8	169.4	-74.4	-79.2	0	0	0	110.6	K157 H205 M206	H155-K157 PolarHBondContact O-N 2.93Å; H155-H205 PolarHBondContact CD2-O 2.92Å; H155-M206 PolarHBondContact N-O 2.87Å
156	K	93.1	Very high	92.8	Very high	119 Å²	119	69.2 Å²	69.2	52%	0.517	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-63.7	123.5	174.4	-177.8	-175	176.8	173.2	0	109.9	C154 D160 V161	C154-K156 PolarHBondContact O-N 3.1Å; K156-D160 WeakPolarHBondContact CE-O 3.49Å; K156-D160 HydrophobicContact CG-CB 4.09Å; K156-V161 VanDerWaalsContact CE-O 3.23Å; K156-V161 WeakPolarHBondContact CE-O 3.26Å; K156-V161 PolarHBondContact NZ-O 2.8Å
157	K	92.6	Very high	92.8	Very high	134 Å²	134	73.8 Å²	73.8	58%	0.583	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-92.7	169.1	170.9	-59	-175.5	177.4	-178.3	0	110.7	H155 K159 D160	H155-K157 PolarHBondContact O-N 2.93Å; K157-K159 VanDerWaalsContact C-N 3.26Å; K157-K159 PolarHBondContact O-N 2.83Å; K157-D160 WeakPolarHBondContact CA-OD2 3.28Å; K157-D160 VanDerWaalsContact CB-OD2 3.28Å; K157-D160 WeakPolarHBondContact CB-OD2 3.49Å; K157-D160 PolarHBondContact N-OD2 3.24Å; K157-D160 PolarHBondContact O-N 2.8Å
158	R	93.2	Very high	92.7	Very high	257 Å²	257	73.8 Å²	73.8	97%	0.97	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-40.3	-176.7	179.6	-178.9	-81.3	162.5	-5.3	113.3	D160	R158-D160 VanDerWaalsContact C-N 3.34Å
159	K	94.8	Very high	92.6	Very high	184 Å²	184	78 Å²	78	80%	0.8	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.7	-179.4	70.2	177.4	-175.3	172.9	0	113.9	K157	K157-K159 VanDerWaalsContact C-N 3.26Å; K157-K159 PolarHBondContact O-N 2.83Å
160	D	91.5	Very high	92.3	Very high	36 Å²	36	79.3 Å²	79.3	19%	0.193	39%	0.394	C	S	.	.			trans	-83.4	139.7	-174.1	-52	-33	0	0	0	109.1	K156 K157 R158 S162 P164	K156-D160 WeakPolarHBondContact CE-O 3.49Å; K156-D160 HydrophobicContact CG-CB 4.09Å; K157-D160 WeakPolarHBondContact CA-OD2 3.28Å; K157-D160 VanDerWaalsContact CB-OD2 3.28Å; K157-D160 WeakPolarHBondContact CB-OD2 3.49Å; K157-D160 PolarHBondContact N-OD2 3.24Å; K157-D160 PolarHBondContact O-N 2.8Å; R158-D160 VanDerWaalsContact C-N 3.34Å; D160-S162 WeakPolarHBondContact CB-O 3.5Å; D160-P164 HydrophobicContact CB-CG 4.47Å
161	V	92.6	Very high	92	Very high	134 Å²	134	80.3 Å²	80.3	81%	0.812	40%	0.404	S	S	*	.	S	Bend	trans	-78.9	-33.9	174.9	178.6	0	0	0	0	110.9	K156	K156-V161 VanDerWaalsContact CE-O 3.23Å; K156-V161 WeakPolarHBondContact CE-O 3.26Å; K156-V161 PolarHBondContact NZ-O 2.8Å
162	S	91.4	Very high	91.9	Very high	54 Å²	54	86.7 Å²	86.7	38%	0.378	43%	0.431	S	S	.	.	S	Bend	trans	-140.9	174.5	177.3	70.7	0	0	0	0	111.4	D160 P164	D160-S162 WeakPolarHBondContact CB-O 3.5Å; S162-P164 WeakPolarHBondContact O-CD 3.49Å
163	C	92.3	Very high	91.8	Very high	38 Å²	38	89.9 Å²	89.9	26%	0.257	45%	0.446	S	S	.	.			trans	-63.5	122	178.4	-64.4	0	0	0	0	109.5	V153 C154	V153-C163 HydrophobicContact CG1-CB 3.87Å; C154-C163 VanDerWaalsContact O-CB 3.29Å; C154-C163 WeakPolarHBondContact O-CB 3.36Å
164	P	93.1	Very high	91.7	Very high	50 Å²	50	94.1 Å²	94.1	33%	0.325	46%	0.464	S	S	.	.			trans	-61.7	144.2	176.1	-21.1	32.6	0	0	0	111	C154 D160 S162	C154-P164 HydrophobicContact CB-CB 4.17Å; C154-P164 HydrophobicContact CB-CG 4.4Å; C154-P164 PolarHBondContact N-O 2.83Å; D160-P164 HydrophobicContact CB-CG 4.47Å; S162-P164 WeakPolarHBondContact O-CD 3.49Å
165	I	92.9	Very high	91.6	Very high	108 Å²	108	92.8 Å²	92.8	55%	0.554	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.7	179.8	-58.3	177.4	0	0	0	107.8	V151 Q167	V151-I165 HydrophobicContact CG1-CG2 3.46Å; V151-I165 VanDerWaalsContact CG1-CG2 3.46Å; I165-Q167 HydrophobicContact CG2-CG 4.33Å
166	K	91.6	Very high	91.5	Very high	133 Å²	133	90.8 Å²	90.8	58%	0.578	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.9	172.1	-174.1	177.4	-178.9	-179.1	0	108.3	K152 V168	K152-K166 HydrophobicContact CB-CB 4.41Å; K152-K166 PolarHBondContact N-O 3.15Å; K152-K166 PolarHBondContact O-N 3.47Å; K166-V168 HydrophobicContact CD-CG2 4.46Å; K166-V168 HydrophobicContact CG-CG2 4.27Å
167	Q	92.5	Very high	91.2	Very high	98 Å²	98	86.8 Å²	86.8	46%	0.458	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.8	172.9	-58.7	-174.6	8.5	0	0	108.2	L149 V151 I165	L149-Q167 HydrophobicContact CD2-CB 4.14Å; V151-Q167 HydrophobicContact CG2-CG 4.3Å; I165-Q167 HydrophobicContact CG2-CG 4.33Å
168	V	91.1	Very high	90.8	Very high	27 Å²	27	83.8 Å²	83.8	16%	0.164	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	111	176.7	-177.2	0	0	0	0	106.9	L149 L150 K166 T170	L149-V168 CarbonylContact C-O 3.51Å; L149-V168 WeakPolarHBondContact CA-O 3.34Å; L150-V168 HydrophobicContact CB-CB 4.4Å; L150-V168 PolarHBondContact N-O 2.91Å; L150-V168 PolarHBondContact O-N 3.2Å; K166-V168 HydrophobicContact CD-CG2 4.46Å; K166-V168 HydrophobicContact CG-CG2 4.27Å; V168-T170 PolarHBondContact O-N 2.87Å
169	P	91.7	Very high	90.3	Very high	91 Å²	91	72.8 Å²	72.8	59%	0.591	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	119.6	177.8	26.4	-31.9	0	0	0	108.9
170	T	89.1	Confident	89.2	Confident	35 Å²	35	69.3 Å²	69.3	22%	0.215	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-34.1	-179.8	-48	0	0	0	0	110.6	V148 L150 V168 L192 V194	V148-T170 PolarHBondContact O-N 3.41Å; L150-T170 PolarHBondContact N-OG1 3.09Å; V168-T170 PolarHBondContact O-N 2.87Å; T170-L192 HydrophobicContact CG2-CD1 4.33Å; T170-L192 HydrophobicContact CG2-CD2 3.88Å; T170-L192 HydrophobicContact CG2-CG 4.13Å; T170-V194 HydrophobicContact CG2-CB 4.03Å; T170-V194 HydrophobicContact CG2-CG1 4.2Å; T170-V194 HydrophobicContact CG2-CG2 3.44Å; T170-V194 VanDerWaalsContact CG2-CG2 3.44Å
171	G	87.8	Confident	87.8	Confident	22 Å²	22	73.3 Å²	73.3	23%	0.227	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.2	164	171.8	0	0	0	0	0	113.5	V148	V148-G171 PolarHBondContact N-O 2.98Å; V148-G171 PolarHBondContact O-N 3.03Å
172	K	90.9	Very high	85.9	Confident	139 Å²	139	76.9 Å²	76.9	60%	0.604	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	137.3	172.3	-66.8	-176.3	176.8	-178.6	0	109.8	L146 E147	L146-K172 CarbonylContact O-C 3.46Å; L146-K172 VanDerWaalsContact O-CA 3.26Å; L146-K172 WeakPolarHBondContact O-CA 3.37Å; E147-K172 HydrophobicContact CB-CG 3.92Å; E147-K172 HydrophobicContact CG-CD 4.46Å; E147-K172 HydrophobicContact CG-CG 3.9Å; E147-K172 WeakPolarHBondContact OE1-CE 3.37Å; E147-K172 IonicContact OE1-NZ 3.45Å
173	K	90.4	Very high	84.1	Confident	92 Å²	92	82 Å²	82	40%	0.4	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	145.9	178.9	-66.8	-64.9	179.7	-179.5	0	110	L146 P190 S191	L146-K173 PolarHBondContact N-O 3.24Å; L146-K173 PolarHBondContact O-N 3.4Å; K173-P190 HydrophobicContact CB-CB 4.04Å; K173-P190 HydrophobicContact CD-CB 4.45Å; K173-P190 HydrophobicContact CG-CB 4.33Å; K173-S191 WeakPolarHBondContact CE-O 3.44Å
174	Q	90.4	Very high	82.2	Confident	115 Å²	115	83.6 Å²	83.6	54%	0.537	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.8	167.2	-66.2	-67.7	5	0	0	108.4	V144 P190	V144-Q174 PolarHBondContact O-OE1 3.4Å; V144-Q174 VanDerWaalsContact O-OE1 3.14Å; Q174-P190 WeakPolarHBondContact O-CG 3.46Å
175	V	89.7	Confident	80.4	Confident	1 Å²	1	89.7 Å²	89.7	1%	0.006	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.4	-178.2	178.9	0	0	0	0	108.1	F123 S143 V144 L146 L177 P190 L318	F123-V175 HydrophobicContact CB-CG1 4.16Å; F123-V175 HydrophobicContact CB-CG2 3.95Å; F123-V175 HydrophobicContact CG-CG2 4.32Å; S143-V175 CarbonylContact C-O 3.5Å; S143-V175 VanDerWaalsContact CA-O 3.24Å; S143-V175 WeakPolarHBondContact CA-O 3.3Å; S143-V175 WeakPolarHBondContact CB-O 3.5Å; V144-V175 HydrophobicContact CG2-CB 4.49Å; V144-V175 PolarHBondContact N-O 3.13Å; V144-V175 PolarHBondContact O-N 2.83Å; L146-V175 HydrophobicContact CB-CG2 3.66Å; L146-V175 HydrophobicContact CD2-CG2 3.74Å; L146-V175 HydrophobicContact CG-CG2 4.35Å; V175-L177 PolarHBondContact O-N 2.88Å; V175-P190 HydrophobicContact CG2-CG 4Å; V175-L318 HydrophobicContact CG1-CD1 4.48Å
176	P	88.8	Confident	78.3	Confident	40 Å²	40	92.8 Å²	92.8	26%	0.26	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	138.5	-179.1	25.7	-34.7	0	0	0	111.6	T124 F126 H142 P179	T124-P176 WeakPolarHBondContact O-CG 3.43Å; F126-P176 PolarHBondContact N-O 2.78Å; H142-P176 WeakPolarHBondContact O-CA 3.41Å; P176-P179 HydrophobicContact CB-CB 4.11Å; P176-P179 HydrophobicContact CB-CG 4.36Å; P176-P179 HydrophobicContact CG-CB 4.17Å; P176-P179 HydrophobicContact CG-CG 4.14Å
177	L	86.1	Confident	76.4	Confident	34 Å²	34	90.4 Å²	90.4	18%	0.178	49%	0.489	C	S	.	.	B	Isolated β-bridge	trans	-88.5	123.8	174.1	-180	65.6	0	0	0	108.9	F126 H142 V144 V175	F126-L177 HydrophobicContact CD1-CD1 3.6Å; F126-L177 HydrophobicContact CE1-CD1 4.09Å; H142-L177 PolarHBondContact O-N 3.37Å; V144-L177 HydrophobicContact CG1-CB 4.3Å; V144-L177 HydrophobicContact CG1-CD1 4.05Å; V144-L177 HydrophobicContact CG1-CD2 4.48Å; V175-L177 PolarHBondContact O-N 2.88Å
178	N	86	Confident	75	Confident	72 Å²	72	90.3 Å²	90.3	39%	0.385	50%	0.499	S	S	.	.	S	Bend	trans	47.2	55.9	-179.5	-62.6	-38.6	0	0	0	114.2	F126 F127 H128 D180	F126-N178 PolarHBondContact O-N 2.9Å; F127-N178 VanDerWaalsContact CA-OD1 3.22Å; F127-N178 WeakPolarHBondContact CA-OD1 3.48Å; H128-N178 PolarHBondContact N-OD1 2.9Å; H128-N178 PolarHBondContact O-ND2 2.84Å; H128-N178 PolarHBondContact O-OD1 2.62Å; N178-D180 PolarHBondContact O-N 2.83Å
179	P	81.7	Confident	74.3	Confident	25 Å²	25	90.2 Å²	90.2	16%	0.162	50%	0.499	C	S	.	.			trans	-65.8	135.3	-179.5	27.4	-33.8	0	0	0	112.2	F127 P176 S181	F127-P179 HydrophobicContact CE1-CG 4.15Å; F127-P179 HydrophobicContact CZ-CG 3.89Å; P176-P179 HydrophobicContact CB-CB 4.11Å; P176-P179 HydrophobicContact CB-CG 4.36Å; P176-P179 HydrophobicContact CG-CB 4.17Å; P176-P179 HydrophobicContact CG-CG 4.14Å; P179-S181 PolarHBondContact O-N 2.76Å
180	D	71.4	Confident	74	Confident	112 Å²	112	87.1 Å²	87.1	60%	0.599	48%	0.479	S	S	*	.			trans	-66.8	121.8	173.4	-84.4	-29.1	0	0	0	111.1	N178 K182 Q183 T184	N178-D180 PolarHBondContact O-N 2.83Å; D180-K182 PolarHBondContact O-N 2.84Å; D180-Q183 PolarHBondContact O-N 3.25Å; D180-Q183 VanDerWaalsContact O-N 3.09Å; D180-T184 PolarHBondContact O-OG1 2.93Å
181	S	61.5	Low	73.8	Confident	119 Å²	119	87.7 Å²	87.7	83%	0.832	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-11.5	-177.3	-38.8	0	0	0	0	114.4	P179	P179-S181 PolarHBondContact O-N 2.76Å
182	K	54.3	Low	73.9	Confident	209 Å²	209	87.4 Å²	87.4	91%	0.909	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-10.9	-178	-64.7	-177.4	-179.3	177.7	0	114.5	D180	D180-K182 PolarHBondContact O-N 2.84Å
183	Q	53.1	Low	73.8	Confident	161 Å²	161	85 Å²	85	75%	0.752	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-7.1	-172.8	-67.8	-168.1	15.6	0	0	115.3	D180 K185	D180-Q183 PolarHBondContact O-N 3.25Å; D180-Q183 VanDerWaalsContact O-N 3.09Å; Q183-K185 PolarHBondContact O-N 3.29Å
184	T	52.5	Low	73.6	Confident	73 Å²	73	80.7 Å²	80.7	45%	0.448	45%	0.452	S	S	.	.			trans	-81.5	106.3	-174.1	-34.4	0	0	0	0	112.1	D180 L186	D180-T184 PolarHBondContact O-OG1 2.93Å; T184-L186 PolarHBondContact O-N 3.24Å
185	K	54.3	Low	73.4	Confident	177 Å²	177	77.4 Å²	77.4	77%	0.77	44%	0.441	S	S	*	.			trans	-66.7	125.7	167.1	-68.7	-177.7	-178.7	177.7	0	109.2	Q183 G187 S188	Q183-K185 PolarHBondContact O-N 3.29Å; K185-G187 PolarHBondContact O-N 3.28Å; K185-S188 PolarHBondContact O-N 2.75Å
186	L	49	Very low	73.1	Confident	173 Å²	173	78.8 Å²	78.8	91%	0.906	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-11.8	-173.8	-159.4	68.3	0	0	0	115.4	T184	T184-L186 PolarHBondContact O-N 3.24Å
187	G	51.2	Low	72.7	Confident	84 Å²	84	81.8 Å²	81.8	87%	0.866	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-2.2	176	0	0	0	0	0	116.4	K185	K185-G187 PolarHBondContact O-N 3.28Å
188	S	63.2	Low	72.6	Confident	96 Å²	96	83 Å²	83	67%	0.671	47%	0.469	S	S	*	.			trans	-103.3	-0.1	-174.9	-168.3	0	0	0	0	114.8	K185	K185-S188 PolarHBondContact O-N 2.75Å
189	C	76.9	Confident	72.4	Confident	25 Å²	25	80.5 Å²	80.5	17%	0.169	46%	0.455	C	S	.	.	S	Bend	trans	-77.9	130.3	-175.6	-63.2	0	0	0	0	111.9	T122 F123 S191	T122-C189 HydrophobicContact CG2-CB 3.64Å; F123-C189 WeakPolarHBondContact O-CB 3.45Å; C189-S191 PolarHBondContact O-N 3.25Å; C189-S191 PolarHBondContact O-OG 3.29Å
190	P	85.4	Confident	72	Confident	26 Å²	26	83.4 Å²	83.4	17%	0.169	47%	0.466	C	S	.	.			trans	-62.1	124	179.1	25.3	-33.9	0	0	0	110.6	F123 K173 Q174 V175	F123-P190 HydrophobicContact CB-CG 4.24Å; F123-P190 WeakPolarHBondContact CD2-O 3.49Å; F123-P190 PolarHBondContact N-O 2.81Å; F123-P190 WeakPolarHBondContact O-CD 3.44Å; K173-P190 HydrophobicContact CB-CB 4.04Å; K173-P190 HydrophobicContact CD-CB 4.45Å; K173-P190 HydrophobicContact CG-CB 4.33Å; Q174-P190 WeakPolarHBondContact O-CG 3.46Å; V175-P190 HydrophobicContact CG2-CG 4Å
191	S	86.1	Confident	71.8	Confident	47 Å²	47	82.5 Å²	82.5	33%	0.329	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.7	178.5	-62.7	0	0	0	0	112	L121 T122 K173 C189	L121-S191 CarbonylContact O-C 3.54Å; L121-S191 VanDerWaalsContact O-CA 3.25Å; L121-S191 WeakPolarHBondContact O-CA 2.97Å; T122-S191 WeakPolarHBondContact CG2-OG 3.36Å; T122-S191 PolarHBondContact OG1-OG 2.79Å; K173-S191 WeakPolarHBondContact CE-O 3.44Å; C189-S191 PolarHBondContact O-N 3.25Å; C189-S191 PolarHBondContact O-OG 3.29Å
192	L	89.2	Confident	72.2	Confident	16 Å²	16	79.7 Å²	79.7	8%	0.084	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.7	177.4	-176.8	72.5	0	0	0	109.5	L121 F123 V148 T170	L121-L192 PolarHBondContact N-O 2.62Å; L121-L192 PolarHBondContact O-N 3.02Å; F123-L192 HydrophobicContact CE2-CB 4.05Å; V148-L192 HydrophobicContact CB-CD2 3.51Å; V148-L192 HydrophobicContact CG1-CD2 3.89Å; V148-L192 HydrophobicContact CG2-CD2 3.66Å; T170-L192 HydrophobicContact CG2-CD1 4.33Å; T170-L192 HydrophobicContact CG2-CD2 3.88Å; T170-L192 HydrophobicContact CG2-CG 4.13Å
193	L	88.3	Confident	73.1	Confident	88 Å²	88	72 Å²	72	46%	0.461	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.3	175.2	-168.9	74.2	0	0	0	109	H118 Q120 P195	H118-L193 HydrophobicContact CB-CD1 3.85Å; H118-L193 HydrophobicContact CB-CG 4.31Å; Q120-L193 HydrophobicContact CB-CD1 3.97Å; Q120-L193 HydrophobicContact CG-CD1 4.43Å; L193-P195 WeakPolarHBondContact O-CD 3.38Å
194	V	87.4	Confident	74	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.006	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	113.7	169.6	-174.7	0	0	0	0	107.4	L119 L121 L150 T170 F199 L212	L119-V194 HydrophobicContact CB-CB 4.1Å; L119-V194 HydrophobicContact CD2-CB 4.46Å; L119-V194 HydrophobicContact CD2-CG2 4.38Å; L119-V194 HydrophobicContact CG-CB 4.47Å; L119-V194 PolarHBondContact N-O 3.2Å; L119-V194 PolarHBondContact O-N 2.94Å; L121-V194 HydrophobicContact CD1-CG2 4.35Å; L150-V194 HydrophobicContact CD2-CG1 4.44Å; T170-V194 HydrophobicContact CG2-CB 4.03Å; T170-V194 HydrophobicContact CG2-CG1 4.2Å; T170-V194 HydrophobicContact CG2-CG2 3.44Å; T170-V194 VanDerWaalsContact CG2-CG2 3.44Å; V194-F199 HydrophobicContact CB-CE2 4.45Å; V194-F199 HydrophobicContact CB-CZ 4.48Å; V194-F199 HydrophobicContact CG1-CE2 3.74Å; V194-F199 HydrophobicContact CG1-CZ 3.63Å; V194-L212 HydrophobicContact CG2-CD2 4.24Å
195	P	86.1	Confident	75.5	Confident	46 Å²	46	68.2 Å²	68.2	30%	0.299	40%	0.395	S	S	.	.			trans	-62.2	148.6	-177.9	-29.1	39.4	0	0	0	114.9	L193 N197 E198	L193-P195 WeakPolarHBondContact O-CD 3.38Å; P195-N197 VanDerWaalsContact C-N 3.32Å; P195-N197 WeakPolarHBondContact CB-OD1 3.37Å; P195-N197 PolarHBondContact O-N 3.28Å; P195-E198 HydrophobicContact CB-CG 4.49Å; P195-E198 WeakPolarHBondContact O-CB 3.46Å; P195-E198 PolarHBondContact O-N 3.44Å
196	S	82.2	Confident	77	Confident	30 Å²	30	63.5 Å²	63.5	21%	0.21	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-68.1	-30	-179.9	62.1	0	0	0	0	113.1	S117 E198 F199	S117-S196 WeakPolarHBondContact O-CB 3.31Å; S196-E198 PolarHBondContact O-N 2.81Å; S196-F199 PolarHBondContact O-N 3.47Å
197	N	81.4	Confident	78.9	Confident	104 Å²	104	55.9 Å²	55.9	56%	0.556	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-61.4	-22.8	175.4	67.8	-8.9	0	0	0	113.1	P195 F199 E200	P195-N197 VanDerWaalsContact C-N 3.32Å; P195-N197 WeakPolarHBondContact CB-OD1 3.37Å; P195-N197 PolarHBondContact O-N 3.28Å; N197-F199 PolarHBondContact O-N 2.86Å; N197-E200 WeakPolarHBondContact O-CB 3.07Å; N197-E200 PolarHBondContact O-N 2.87Å
198	E	83.9	Confident	80.8	Confident	58 Å²	58	55.5 Å²	55.5	27%	0.271	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-68	-23.1	175.7	-72.6	-71.8	179.8	0	0	112.2	L150 K152 P195 S196 Y210	L150-E198 HydrophobicContact CD2-CB 3.64Å; L150-E198 HydrophobicContact CD2-CG 4.32Å; K152-E198 WeakPolarHBondContact CE-O 3.47Å; K152-E198 WeakPolarHBondContact CE-OE2 3.29Å; K152-E198 PolarHBondContact NZ-O 2.8Å; K152-E198 IonicContact NZ-OE2 3.59Å; K152-E198 PolarHBondContact NZ-OE2 3.15Å; P195-E198 HydrophobicContact CB-CG 4.49Å; P195-E198 WeakPolarHBondContact O-CB 3.46Å; P195-E198 PolarHBondContact O-N 3.44Å; S196-E198 PolarHBondContact O-N 2.81Å; E198-Y210 VanDerWaalsContact O-CE1 3.32Å; E198-Y210 WeakPolarHBondContact O-CE1 3.19Å
199	F	81.9	Confident	82.1	Confident	20 Å²	20	51.9 Å²	51.9	9%	0.088	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-97.9	18.6	178.2	-52.3	-69.7	0	0	0	113.2	L119 L150 V194 S196 N197 Y210 V264 F265 W324	L119-F199 HydrophobicContact CB-CE2 4.3Å; L119-F199 HydrophobicContact CD2-CZ 4.1Å; L150-F199 HydrophobicContact CD1-CE1 3.65Å; L150-F199 HydrophobicContact CD1-CZ 4.23Å; L150-F199 HydrophobicContact CD2-CE1 4.17Å; V194-F199 HydrophobicContact CB-CE2 4.45Å; V194-F199 HydrophobicContact CB-CZ 4.48Å; V194-F199 HydrophobicContact CG1-CE2 3.74Å; V194-F199 HydrophobicContact CG1-CZ 3.63Å; S196-F199 PolarHBondContact O-N 3.47Å; N197-F199 PolarHBondContact O-N 2.86Å; F199-Y210 AromaticContact CD1-CD1 3.77Å; F199-Y210 HydrophobicContact CD1-CD1 3.77Å; F199-Y210 HydrophobicContact CD1-CE1 4.25Å; F199-Y210 AromaticContact CD1-CG 3.91Å; F199-Y210 HydrophobicContact CD1-CG 3.91Å; F199-Y210 HydrophobicContact CE1-CD1 4.3Å; F199-Y210 HydrophobicContact CE1-CG 4.41Å; F199-V264 HydrophobicContact CE1-CB 4.49Å; F199-V264 HydrophobicContact CE1-CG1 4.19Å; F199-V264 HydrophobicContact CZ-CG1 4.41Å; F199-F265 HydrophobicContact CB-CE2 4.01Å; F199-F265 AromaticContact CD1-CD2 3.94Å; F199-F265 HydrophobicContact CD1-CD2 3.94Å; F199-F265 AromaticContact CD1-CE2 3.73Å; F199-F265 HydrophobicContact CD1-CE2 3.73Å; F199-F265 HydrophobicContact CE1-CD2 4.47Å; F199-F265 HydrophobicContact CE1-CE2 4.31Å; F199-F265 HydrophobicContact CG-CD2 4.47Å; F199-F265 AromaticContact CG-CE2 3.84Å; F199-F265 HydrophobicContact CG-CE2 3.84Å; F199-W324 HydrophobicContact CD2-CH2 4.43Å; F199-W324 HydrophobicContact CD2-CZ3 4.38Å; F199-W324 HydrophobicContact CE2-CH2 4.1Å; F199-W324 HydrophobicContact CE2-CZ3 4.18Å; F199-W324 HydrophobicContact CZ-CH2 4.4Å
200	E	73	Confident	82.8	Confident	86 Å²	86	51.5 Å²	51.5	40%	0.402	28%	0.282	S	S	.	.			trans	-48.9	129.9	-167.5	-140.4	-174	145	0	0	115	N197 S202 N203	N197-E200 WeakPolarHBondContact O-CB 3.07Å; N197-E200 PolarHBondContact O-N 2.87Å; E200-S202 WeakPolarHBondContact CG-OG 3.43Å; E200-S202 PolarHBondContact O-N 2.96Å; E200-S202 PolarHBondContact OE1-OG 3.49Å; E200-S202 PolarHBondContact OE2-OG 2.83Å; E200-N203 PolarHBondContact O-N 3.1Å
201	P	66.5	Low	83.1	Confident	93 Å²	93	50.4 Å²	50.4	60%	0.604	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-64.2	-21.5	176.4	-23.3	33.6	0	0	0	114.5	N203 S204	P201-N203 VanDerWaalsContact C-N 3.33Å; P201-N203 PolarHBondContact O-N 2.89Å; P201-S204 WeakPolarHBondContact O-CB 3.44Å; P201-S204 PolarHBondContact O-N 2.89Å; P201-S204 PolarHBondContact O-OG 3.15Å
202	S	70.6	Confident	83.5	Confident	61 Å²	61	48.1 Å²	48.1	43%	0.427	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-63.7	-39.3	177	59	0	0	0	0	111.7	E200 S204 H205	E200-S202 WeakPolarHBondContact CG-OG 3.43Å; E200-S202 PolarHBondContact O-N 2.96Å; E200-S202 PolarHBondContact OE1-OG 3.49Å; E200-S202 PolarHBondContact OE2-OG 2.83Å; S202-S204 PolarHBondContact O-N 3.24Å; S202-S204 VanDerWaalsContact O-N 3.13Å; S202-H205 PolarHBondContact O-CE1 3.28Å; S202-H205 VanDerWaalsContact O-CE1 3.25Å; S202-H205 PolarHBondContact O-ND1 3.31Å
203	N	72.9	Confident	83.7	Confident	48 Å²	48	48.4 Å²	48.4	26%	0.257	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-77.2	4	-178.8	-73.3	-48.5	0	0	0	114.4	E200 P201 H205 M206 V207	E200-N203 PolarHBondContact O-N 3.1Å; P201-N203 VanDerWaalsContact C-N 3.33Å; P201-N203 PolarHBondContact O-N 2.89Å; N203-H205 VanDerWaalsContact C-N 3.27Å; N203-H205 PolarHBondContact O-N 3.01Å; N203-M206 HydrophobicContact CB-CE 4.5Å; N203-M206 WeakPolarHBondContact O-CA 3.43Å; N203-M206 WeakPolarHBondContact O-CB 3.4Å; N203-M206 PolarHBondContact O-N 2.91Å; N203-M206 WeakPolarHBondContact OD1-CE 3.38Å; N203-V207 HydrophobicContact CB-CG2 4.4Å; N203-V207 PolarHBondContact O-N 3.33Å
204	S	73.1	Confident	84	Confident	20 Å²	20	44.2 Å²	44.2	14%	0.14	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-76.6	-13.4	-164.7	74.7	0	0	0	0	114.9	P201 S202 M206 R269	P201-S204 WeakPolarHBondContact O-CB 3.44Å; P201-S204 PolarHBondContact O-N 2.89Å; P201-S204 PolarHBondContact O-OG 3.15Å; S202-S204 PolarHBondContact O-N 3.24Å; S202-S204 VanDerWaalsContact O-N 3.13Å; S204-M206 VanDerWaalsContact C-N 3.34Å; S204-R269 PolarHBondContact O-NH2 3.25Å; S204-R269 PolarHBondContact OG-NH1 2.86Å; S204-R269 PolarHBondContact OG-NH2 2.78Å
205	H	82.8	Confident	84.3	Confident	134 Å²	134	47.7 Å²	47.7	62%	0.62	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-80.4	-18.7	167.9	65.2	-77.8	0	0	0	112.1	H155 S202 N203	H155-H205 PolarHBondContact CD2-O 2.92Å; S202-H205 PolarHBondContact O-CE1 3.28Å; S202-H205 VanDerWaalsContact O-CE1 3.25Å; S202-H205 PolarHBondContact O-ND1 3.31Å; N203-H205 VanDerWaalsContact C-N 3.27Å; N203-H205 PolarHBondContact O-N 3.01Å
206	M	85.4	Confident	84.6	Confident	78 Å²	78	45.5 Å²	45.5	38%	0.384	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-42	178.1	-55	-160.4	-53	0	0	112.3	C154 H155 N203 S204	C154-M206 CarbonylContact C-O 3.51Å; C154-M206 VanDerWaalsContact CA-O 3.26Å; C154-M206 WeakPolarHBondContact CA-O 3.43Å; C154-M206 WeakPolarHBondContact CB-O 3.35Å; H155-M206 PolarHBondContact N-O 2.87Å; N203-M206 HydrophobicContact CB-CE 4.5Å; N203-M206 WeakPolarHBondContact O-CA 3.43Å; N203-M206 WeakPolarHBondContact O-CB 3.4Å; N203-M206 PolarHBondContact O-N 2.91Å; N203-M206 WeakPolarHBondContact OD1-CE 3.38Å; S204-M206 VanDerWaalsContact C-N 3.34Å
207	V	89.9	Confident	84.9	Confident	13 Å²	13	45.9 Å²	45.9	8%	0.079	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.4	-177.3	-172.8	0	0	0	0	110	K152 N203 Y210	K152-V207 HydrophobicContact CB-CG1 4.05Å; N203-V207 HydrophobicContact CB-CG2 4.4Å; N203-V207 PolarHBondContact O-N 3.33Å; V207-Y210 HydrophobicContact CB-CE2 4.23Å; V207-Y210 HydrophobicContact CG1-CD1 4.31Å; V207-Y210 HydrophobicContact CG1-CD2 4.17Å; V207-Y210 HydrophobicContact CG1-CE1 3.88Å; V207-Y210 HydrophobicContact CG1-CE2 3.7Å; V207-Y210 HydrophobicContact CG1-CG 4.46Å
208	K	89.8	Confident	84.8	Confident	75 Å²	75	43.3 Å²	43.3	33%	0.326	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-41.2	-178.7	-178.3	-179	175.8	-175.7	0	112.1	V153 K267	V153-K208 WeakPolarHBondContact O-CA 3.22Å; V153-K208 VanDerWaalsContact O-CB 3.3Å; V153-K208 WeakPolarHBondContact O-CB 3.34Å; V153-K208 PolarHBondContact O-N 3.38Å; K208-K267 HydrophobicContact CG-CB 4.19Å; K208-K267 WeakPolarHBondContact O-CA 3.49Å
209	S	90.9	Very high	84.1	Confident	21 Å²	21	43.7 Å²	43.7	15%	0.147	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	157.9	-178.8	56.7	0	0	0	0	111.5	V153 F265	V153-S209 PolarHBondContact N-O 2.89Å; V153-S209 PolarHBondContact O-N 3.26Å; S209-F265 VanDerWaalsContact CB-O 3.3Å; S209-F265 WeakPolarHBondContact CB-O 3.17Å
210	Y	91.6	Very high	82.9	Confident	16 Å²	16	43.9 Å²	43.9	6%	0.063	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.6	179.1	-61.6	-97.6	0	0	0	109.7	L150 K152 E198 F199 V207 V264 F265	L150-Y210 HydrophobicContact CD1-CD1 4.37Å; K152-Y210 HydrophobicContact CD-CD1 4.3Å; K152-Y210 HydrophobicContact CD-CE1 3.87Å; K152-Y210 HydrophobicContact CG-CD1 3.91Å; K152-Y210 HydrophobicContact CG-CE1 3.97Å; E198-Y210 VanDerWaalsContact O-CE1 3.32Å; E198-Y210 WeakPolarHBondContact O-CE1 3.19Å; F199-Y210 AromaticContact CD1-CD1 3.77Å; F199-Y210 HydrophobicContact CD1-CD1 3.77Å; F199-Y210 HydrophobicContact CD1-CE1 4.25Å; F199-Y210 AromaticContact CD1-CG 3.91Å; F199-Y210 HydrophobicContact CD1-CG 3.91Å; F199-Y210 HydrophobicContact CE1-CD1 4.3Å; F199-Y210 HydrophobicContact CE1-CG 4.41Å; V207-Y210 HydrophobicContact CB-CE2 4.23Å; V207-Y210 HydrophobicContact CG1-CD1 4.31Å; V207-Y210 HydrophobicContact CG1-CD2 4.17Å; V207-Y210 HydrophobicContact CG1-CE1 3.88Å; V207-Y210 HydrophobicContact CG1-CE2 3.7Å; V207-Y210 HydrophobicContact CG1-CG 4.46Å; Y210-V264 PolarHBondContact O-N 2.81Å; Y210-F265 HydrophobicContact CD2-CB 4.08Å; Y210-F265 HydrophobicContact CD2-CD2 4.07Å; Y210-F265 HydrophobicContact CD2-CG 4.46Å; Y210-F265 HydrophobicContact CG-CD2 4.37Å; Y210-F265 PolarHBondContact N-O 2.74Å; Y210-F265 PolarHBondContact O-N 3.26Å
211	S	93.1	Very high	81.6	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.9	176.2	-57.1	0	0	0	0	110.7	V151 Q261 M262 T263	V151-S211 WeakPolarHBondContact CA-O 3.47Å; V151-S211 PolarHBondContact N-O 2.9Å; V151-S211 PolarHBondContact O-N 2.84Å; S211-Q261 VanDerWaalsContact CB-NE2 3.32Å; S211-Q261 PolarHBondContact OG-NE2 3.21Å; S211-M262 CarbonylContact C-O 3.34Å; S211-M262 WeakPolarHBondContact CA-O 3.19Å; S211-M262 WeakPolarHBondContact CB-O 3.08Å; S211-T263 PolarHBondContact OG-OG1 3.35Å
212	L	93.6	Very high	80.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.9	165.8	-66.2	171.5	0	0	0	109.1	L119 L121 V148 L149 L150 V194 F214 Q261 M262 V264 L273	L119-L212 HydrophobicContact CD2-CD1 3.94Å; L121-L212 HydrophobicContact CD1-CD1 3.91Å; L121-L212 HydrophobicContact CD2-CD1 4.35Å; V148-L212 HydrophobicContact CG1-CD2 4.22Å; L149-L212 CarbonylContact O-C 3.5Å; L149-L212 WeakPolarHBondContact O-CA 3.43Å; L150-L212 HydrophobicContact CD1-CD2 4.28Å; V194-L212 HydrophobicContact CG2-CD2 4.24Å; L212-F214 HydrophobicContact CB-CE2 4.04Å; L212-F214 HydrophobicContact CB-CZ 3.96Å; L212-F214 HydrophobicContact CD1-CZ 4.09Å; L212-Q261 CarbonylContact O-C 3.59Å; L212-Q261 VanDerWaalsContact O-CA 3.29Å; L212-Q261 WeakPolarHBondContact O-CA 3.08Å; L212-Q261 WeakPolarHBondContact O-CG 3.39Å; L212-M262 PolarHBondContact N-O 3.09Å; L212-M262 PolarHBondContact O-N 3.47Å; L212-V264 HydrophobicContact CD1-CG2 4.13Å; L212-V264 HydrophobicContact CG-CG2 3.7Å; L212-L273 HydrophobicContact CD1-CD1 4.24Å
213	L	94.4	Very high	78.5	Confident	21 Å²	21	47.4 Å²	47.4	11%	0.11	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.1	172.4	175.1	67.2	0	0	0	107.9	V148 L149 V151 V259 A260 Q261	V148-L213 WeakPolarHBondContact CA-O 3.47Å; L149-L213 HydrophobicContact CB-CB 4.33Å; L149-L213 HydrophobicContact CD1-CD2 4.13Å; L149-L213 HydrophobicContact CD1-CG 4.26Å; L149-L213 PolarHBondContact N-O 3.38Å; L149-L213 PolarHBondContact O-N 2.87Å; V151-L213 HydrophobicContact CG2-CB 3.6Å; V151-L213 HydrophobicContact CG2-CD2 4.23Å; L213-V259 HydrophobicContact CD1-CB 4.48Å; L213-A260 WeakPolarHBondContact CA-O 3.49Å; L213-Q261 HydrophobicContact CD1-CB 4.1Å
214	F	93.9	Very high	76.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.9	174.8	-54.8	-80.7	0	0	0	108.2	L121 F123 L146 V148 L212 V259 A260 M262 M282 L318 F320	L121-F214 HydrophobicContact CD1-CE1 4.33Å; F123-F214 HydrophobicContact CE1-CD1 4.03Å; F123-F214 AromaticContact CE1-CE1 3.77Å; F123-F214 HydrophobicContact CE1-CE1 3.77Å; F123-F214 HydrophobicContact CZ-CD1 4.41Å; F123-F214 HydrophobicContact CZ-CE1 4.03Å; L146-F214 HydrophobicContact CD1-CB 4.1Å; L146-F214 HydrophobicContact CD1-CD1 4.43Å; V148-F214 HydrophobicContact CG1-CD1 4.18Å; V148-F214 HydrophobicContact CG1-CE1 4.03Å; V148-F214 HydrophobicContact CG2-CD1 3.96Å; V148-F214 HydrophobicContact CG2-CE1 4.24Å; L212-F214 HydrophobicContact CB-CE2 4.04Å; L212-F214 HydrophobicContact CB-CZ 3.96Å; L212-F214 HydrophobicContact CD1-CZ 4.09Å; F214-V259 CarbonylContact O-C 3.42Å; F214-V259 VanDerWaalsContact O-CA 3.26Å; F214-V259 WeakPolarHBondContact O-CA 3.36Å; F214-A260 HydrophobicContact CD2-CB 4.48Å; F214-A260 PolarHBondContact N-O 2.95Å; F214-A260 PolarHBondContact O-N 3.02Å; F214-M262 HydrophobicContact CE2-CB 4.4Å; F214-M262 HydrophobicContact CE2-CG 4.03Å; F214-M262 HydrophobicContact CE2-SD 3.78Å; F214-M262 HydrophobicContact CZ-SD 4.42Å; F214-M282 HydrophobicContact CB-CE 4.34Å; F214-M282 HydrophobicContact CB-SD 4.45Å; F214-L318 HydrophobicContact CB-CD2 4Å; F214-L318 HydrophobicContact CD1-CD2 3.95Å; F214-L318 HydrophobicContact CG-CD2 4Å; F214-F320 HydrophobicContact CE2-CE1 4.4Å; F214-F320 HydrophobicContact CE2-CZ 4.26Å; F214-F320 HydrophobicContact CZ-CE1 4.12Å; F214-F320 HydrophobicContact CZ-CE2 4.39Å; F214-F320 AromaticContact CZ-CZ 3.84Å; F214-F320 HydrophobicContact CZ-CZ 3.84Å
215	R	93.3	Very high	74.7	Confident	74 Å²	74	58.8 Å²	58.8	28%	0.279	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	116.1	175.2	-179	-173.9	-67.8	152.8	-7.5	108.9	L146 E147 T257 Y258 V259	L146-R215 CarbonylContact C-O 3.35Å; L146-R215 WeakPolarHBondContact CA-O 3.17Å; E147-R215 HydrophobicContact CB-CB 4.33Å; E147-R215 PolarHBondContact N-O 3.34Å; E147-R215 PolarHBondContact O-N 3.03Å; E147-R215 IonicContact OE2-CZ 3.53Å; E147-R215 IonicContact OE2-NH1 3.14Å; E147-R215 PolarHBondContact OE2-NH1 3.45Å; R215-T257 HydrophobicContact CG-CG2 3.47Å; R215-T257 VanDerWaalsContact CG-CG2 3.47Å; R215-Y258 CarbonylContact C-O 3.57Å; R215-Y258 WeakPolarHBondContact CA-O 3.45Å; R215-V259 HydrophobicContact CB-CG1 4.36Å; R215-V259 HydrophobicContact CG-CG1 4.2Å
216	V	91.7	Very high	72.2	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123	175.9	176.8	0	0	0	0	108.1	F126 V144 S145 L146 T257 Y258 M282	F126-V216 HydrophobicContact CD1-CG1 4.17Å; F126-V216 HydrophobicContact CD2-CB 4.46Å; F126-V216 HydrophobicContact CD2-CG1 4.16Å; F126-V216 HydrophobicContact CD2-CG2 4.07Å; F126-V216 HydrophobicContact CE1-CG1 4.17Å; F126-V216 HydrophobicContact CE2-CB 4.32Å; F126-V216 HydrophobicContact CE2-CG1 4.15Å; F126-V216 HydrophobicContact CE2-CG2 4.3Å; F126-V216 HydrophobicContact CG-CG1 4.16Å; F126-V216 HydrophobicContact CZ-CG1 4.16Å; V144-V216 HydrophobicContact CB-CG1 3.76Å; V144-V216 HydrophobicContact CG1-CG1 4.43Å; V144-V216 HydrophobicContact CG2-CG1 3.61Å; S145-V216 WeakPolarHBondContact O-CA 3.13Å; L146-V216 HydrophobicContact CB-CG2 4.41Å; L146-V216 HydrophobicContact CD1-CG2 3.58Å; V216-T257 CarbonylContact O-C 3.52Å; V216-T257 WeakPolarHBondContact O-CA 3.22Å; V216-Y258 PolarHBondContact N-O 2.76Å; V216-Y258 PolarHBondContact O-N 3.46Å; V216-M282 HydrophobicContact CB-CE 4.11Å; V216-M282 HydrophobicContact CG2-CE 3.63Å
217	S	88.4	Confident	69.5	Low	38 Å²	38	59.5 Å²	59.5	27%	0.266	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.9	176.5	57.1	0	0	0	0	110.2	S145 E256	S145-S217 WeakPolarHBondContact CB-OG 3.48Å; S145-S217 PolarHBondContact N-O 3.39Å; S145-S217 PolarHBondContact O-N 3Å; S145-S217 PolarHBondContact O-OG 2.87Å; S217-E256 WeakPolarHBondContact CA-O 3.16Å
218	R	81.1	Confident	66.5	Low	50 Å²	50	68.3 Å²	68.3	19%	0.189	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.1	177.2	179.6	-173.7	174.8	-175.4	7.7	109.1	H128 D130 V144 G220 T255 E256	H128-R218 PolarHBondContact CD2-NH1 3.21Å; D130-R218 IonicContact OD1-CZ 3.52Å; D130-R218 IonicContact OD1-NH1 3.52Å; D130-R218 PolarHBondContact OD1-NH1 3.5Å; D130-R218 IonicContact OD1-NH2 3.98Å; D130-R218 PolarHBondContact OD1-NH2 3.14Å; D130-R218 IonicContact OD2-CZ 3.77Å; D130-R218 IonicContact OD2-NH1 2.87Å; D130-R218 IonicContact OD2-NH2 2.85Å; D130-R218 PolarHBondContact OD2-NH2 2.7Å; V144-R218 HydrophobicContact CG1-CB 4.37Å; V144-R218 HydrophobicContact CG1-CG 4.48Å; R218-G220 PolarHBondContact O-N 3.28Å; R218-T255 CarbonylContact O-C 3.56Å; R218-T255 VanDerWaalsContact O-CA 3.28Å; R218-T255 WeakPolarHBondContact O-CA 3.42Å; R218-T255 WeakPolarHBondContact O-CG2 3.45Å; R218-E256 HydrophobicContact CB-CB 4.49Å; R218-E256 PolarHBondContact N-O 2.86Å; R218-E256 IonicContact NH1-OE2 2.66Å; R218-E256 PolarHBondContact O-N 3.34Å
219	T	69.3	Low	63.6	Low	67 Å²	67	69.5 Å²	69.5	41%	0.411	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	114.6	174.7	46.8	0	0	0	0	109.7	Q141 T255	Q141-T219 PolarHBondContact NE2-OG1 2.78Å; Q141-T219 PolarHBondContact OE1-O 3.11Å; Q141-T219 PolarHBondContact OE1-OG1 3.03Å; T219-T255 HydrophobicContact CG2-CG2 4.33Å
220	G	56.4	Low	60.8	Low	24 Å²	24	76.2 Å²	76.2	25%	0.247	45%	0.447	C	S	.	.			trans	-74.9	140.6	172.2	0	0	0	0	0	111.2	R218 S222 T254	R218-G220 PolarHBondContact O-N 3.28Å; G220-S222 PolarHBondContact O-N 3.46Å; G220-T254 WeakPolarHBondContact CA-O 3.38Å; G220-T254 PolarHBondContact N-O 2.8Å
221	R	44.9	Very low	58	Low	153 Å²	153	83.3 Å²	83.3	58%	0.577	48%	0.481	S	S	*	.			trans	-72.4	123.9	170.1	-76.5	-167.6	-173.9	179	22.6	109.7	S137 N139 G223	S137-R221 VanDerWaalsContact OG-CZ 3.3Å; S137-R221 PolarHBondContact OG-NH1 3.41Å; S137-R221 VanDerWaalsContact OG-NH1 3.15Å; S137-R221 PolarHBondContact OG-NH2 2.93Å; N139-R221 PolarHBondContact O-NH2 2.89Å; R221-G223 PolarHBondContact O-N 3.08Å
222	S	36.2	Very low	55.1	Low	97 Å²	97	90.5 Å²	90.5	68%	0.678	52%	0.519	S	S	*	.			trans	-68.7	113.2	165.8	-174.2	0	0	0	0	109	G220 L224	G220-S222 PolarHBondContact O-N 3.46Å; S222-L224 PolarHBondContact O-N 3.24Å
223	G	35.6	Very low	52.3	Low	64 Å²	64	97.6 Å²	97.6	66%	0.66	56%	0.555	S	S	*	*			trans	-72.1	115	172.1	0	0	0	0	0	110.6	R221 V225	R221-G223 PolarHBondContact O-N 3.08Å; G223-V225 PolarHBondContact O-N 3.36Å
224	L	36	Very low	49.1	Very low	171 Å²	171	104 Å²	104	90%	0.895	59%	0.59	S	S	*	*			trans	-69.7	113.7	161.6	-76.7	158.7	0	0	0	107.7	S222	S222-L224 PolarHBondContact O-N 3.24Å
225	V	30.4	Very low	46.1	Very low	136 Å²	136	109.1 Å²	109.1	82%	0.824	62%	0.621	S	S	*	*			trans	-105.3	104	167.3	-178.4	0	0	0	0	107.4	G223	G223-V225 PolarHBondContact O-N 3.36Å
226	N	29.3	Very low	43.2	Very low	158 Å²	158	112.5 Å²	112.5	85%	0.845	65%	0.65	S	S	*	*			trans	-67.9	141.2	163.4	-86.5	-16.5	0	0	0	109.3
227	G	28.9	Very low	40.2	Very low	69 Å²	69	120.7 Å²	120.7	71%	0.711	69%	0.688	S	S	*	*			trans	-82.6	175.7	-155.3	0	0	0	0	0	118.2
228	E	28.7	Very low	37.5	Very low	198 Å²	198	124.9 Å²	124.9	93%	0.925	71%	0.713	S	S	*	*			trans	-136.7	130.4	148.1	-73.4	-168.5	152.2	0	0	108.2
229	A	28.8	Very low	35.2	Very low	99 Å²	99	128.5 Å²	128.5	82%	0.818	74%	0.743	S	S	*	*			trans	-69.4	136.2	172.7	0	0	0	0	0	109.6
230	N	31.2	Very low	33.4	Very low	163 Å²	163	131 Å²	131	87%	0.872	76%	0.763	S	S	*	*			trans	-149.8	123.1	141.1	-135.9	-1	0	0	0	110.3
231	E	31.9	Very low	32.4	Very low	164 Å²	164	141.7 Å²	141.7	77%	0.766	80%	0.796	S	S	*	*			trans	-69.1	138.3	174.9	-60.4	-178.3	148.4	0	0	109.6
232	N	32.8	Very low	31.8	Very low	154 Å²	154	144.8 Å²	144.8	82%	0.824	81%	0.813	S	S	*	*				-174.4	117.6	124.8	-91.5	-47.4	0	0	0	111.7
233	I	34	Very low	31.6	Very low	149 Å²	149	150.3 Å²	150.3	76%	0.764	83%	0.825	S	S	*	*			trans	-25.6	134	162.4	-64.9	153.3	0	0	0	116.1
234	D	28.7	Very low	31.4	Very low	155 Å²	155	159.4 Å²	159.4	83%	0.829	84%	0.839	S	S	*	*				-162.4	148.9	106.1	-146.1	-2.2	0	0	0	113.9
235	V	31.1	Very low	31	Very low	108 Å²	108	154.7 Å²	154.7	66%	0.655	83%	0.832	S	S	*	*			trans	-93.2	137.3	-165.2	170.6	0	0	0	0	111.4
236	T	31.5	Very low	30.9	Very low	146 Å²	146	154.4 Å²	154.4	90%	0.896	84%	0.836	S	S	*	*			trans	-161.2	117.7	143	3.7	0	0	0	0	111.6
237	E	29	Very low	30.9	Very low	171 Å²	171	151.3 Å²	151.3	80%	0.799	83%	0.832	S	S	*	*			trans	-69.1	148	174	-59	176.9	112.2	0	0	111.5
238	T	31.1	Very low	31	Very low	127 Å²	127	156.5 Å²	156.5	78%	0.779	84%	0.838	S	S	*	*				-178.9	164.1	72.7	33.4	0	0	0	0	111.1
239	P	33.2	Very low	31.2	Very low	126 Å²	126	158.6 Å²	158.6	82%	0.818	84%	0.837	S	S	*	*			trans	-108	157.7	-149.5	38.8	-31.5	0	0	0	115.8
240	S	31.8	Very low	31.4	Very low	120 Å²	120	162.7 Å²	162.7	84%	0.839	84%	0.839	S	S	*	*			trans	-120.5	109.4	167.8	54.8	0	0	0	0	113.5
241	R	34.8	Very low	31.7	Very low	248 Å²	248	164.6 Å²	164.6	94%	0.936	84%	0.843	S	S	*	*			trans	31.3	103.4	151.9	-76.8	177.7	164.2	174.1	-4.5	119.8
242	K	33.8	Very low	31.8	Very low	218 Å²	218	160.3 Å²	160.3	95%	0.948	84%	0.843	S	S	*	*			trans	-55.2	126.6	154.3	-72.4	175.5	175.9	173	0	111.4
243	K	31.7	Very low	32.3	Very low	212 Å²	212	155 Å²	155	92%	0.922	82%	0.824	S	S	*	*			trans	-107.5	117	157.5	-154.9	174.7	-174.1	179.1	0	108.2
244	R	31.1	Very low	33.4	Very low	255 Å²	255	153.2 Å²	153.2	96%	0.962	82%	0.821	S	S	*	*			trans	-82.3	111.2	-174.4	-154.2	-177.5	-77	-177.3	-4.4	108
245	G	27.3	Very low	35.5	Very low	72 Å²	72	149.1 Å²	149.1	74%	0.742	80%	0.802	S	S	*	*			trans	-130	105.4	168.8	0	0	0	0	0	107.6	A247	G245-A247 PolarHBondContact O-N 2.88Å
246	S	28.7	Very low	38	Very low	131 Å²	131	147.6 Å²	147.6	92%	0.916	79%	0.787	S	S	*	*			trans	-68.6	110	-178.6	176.2	0	0	0	0	110.1
247	A	29.4	Very low	40.6	Very low	92 Å²	92	142 Å²	142	76%	0.76	75%	0.753	S	S	*	*			trans	-133.2	126.3	154.8	0	0	0	0	0	107.1	G245 R249	G245-A247 PolarHBondContact O-N 2.88Å; A247-R249 PolarHBondContact O-N 2.95Å
248	H	31	Very low	43.5	Very low	179 Å²	179	135.1 Å²	135.1	83%	0.829	72%	0.72	S	S	*	*			trans	-30.9	122.7	176.1	-149.5	-54.3	0	0	0	112.6	E250	H248-E250 PolarHBondContact O-N 2.95Å; H248-E250 VanDerWaalsContact O-N 3.07Å
249	R	32.4	Very low	46.4	Very low	242 Å²	242	130.8 Å²	130.8	91%	0.913	69%	0.693	S	S	*	*			trans	-62.1	109	163.4	-88.5	-177.5	167.2	-178.8	-5.9	107.2	A247	A247-R249 PolarHBondContact O-N 2.95Å
250	E	31.9	Very low	49.2	Very low	184 Å²	184	125.4 Å²	125.4	86%	0.86	66%	0.659	S	S	*	*			trans	-100.8	124.1	145.4	-86.9	-164.6	156.6	0	0	107	H248	H248-E250 PolarHBondContact O-N 2.95Å; H248-E250 VanDerWaalsContact O-N 3.07Å
251	E	38.1	Very low	52.1	Low	203 Å²	203	125.3 Å²	125.3	95%	0.949	65%	0.645	S	S	*	*			trans	-84.6	119.4	172.9	-175.6	173.4	-163.7	0	0	107.3
252	G	34.7	Very low	54.8	Low	75 Å²	75	114.9 Å²	114.9	77%	0.773	61%	0.608	S	S	*	*			trans	149.2	113.8	167.1	0	0	0	0	0	117.1
253	G	42.7	Very low	57.5	Low	41 Å²	41	107 Å²	107	42%	0.423	58%	0.578	S	S	.	*			trans	75.7	113.8	152.1	0	0	0	0	0	118.5	T255	G253-T255 PolarHBondContact O-N 2.93Å; G253-T255 PolarHBondContact O-OG1 2.9Å
254	T	57.1	Low	60.2	Low	112 Å²	112	97 Å²	97	69%	0.687	53%	0.534	S	S	*	.			trans	-64.6	102.9	165.5	46.8	0	0	0	0	109.5	G220	G220-T254 WeakPolarHBondContact CA-O 3.38Å; G220-T254 PolarHBondContact N-O 2.8Å
255	T	73.2	Confident	62.9	Low	70 Å²	70	85.3 Å²	85.3	43%	0.429	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	109.1	178	-54.8	0	0	0	0	109.7	R218 T219 G253	R218-T255 CarbonylContact O-C 3.56Å; R218-T255 VanDerWaalsContact O-CA 3.28Å; R218-T255 WeakPolarHBondContact O-CA 3.42Å; R218-T255 WeakPolarHBondContact O-CG2 3.45Å; T219-T255 HydrophobicContact CG2-CG2 4.33Å; G253-T255 PolarHBondContact O-N 2.93Å; G253-T255 PolarHBondContact O-OG1 2.9Å
256	E	82.9	Confident	65.7	Low	76 Å²	76	83.5 Å²	83.5	36%	0.355	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	131.8	173.8	-68.6	177.8	-171.8	0	0	109.9	S217 R218 Y258	S217-E256 WeakPolarHBondContact CA-O 3.16Å; R218-E256 HydrophobicContact CB-CB 4.49Å; R218-E256 PolarHBondContact N-O 2.86Å; R218-E256 IonicContact NH1-OE2 2.66Å; R218-E256 PolarHBondContact O-N 3.34Å; E256-Y258 HydrophobicContact CB-CE2 3.99Å; E256-Y258 PolarHBondContact OE2-OH 3.33Å
257	T	87.9	Confident	68.4	Low	28 Å²	28	84.5 Å²	84.5	17%	0.172	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.9	-179.9	-56.9	0	0	0	0	110.7	R215 V216 V259 M285	R215-T257 HydrophobicContact CG-CG2 3.47Å; R215-T257 VanDerWaalsContact CG-CG2 3.47Å; V216-T257 CarbonylContact O-C 3.52Å; V216-T257 WeakPolarHBondContact O-CA 3.22Å; T257-V259 HydrophobicContact CG2-CG1 4.47Å; T257-M285 HydrophobicContact CG2-SD 4.41Å; T257-M285 PolarHBondContact O-N 3.48Å
258	Y	89.8	Confident	71	Confident	26 Å²	26	85.3 Å²	85.3	10%	0.102	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140	177.4	-58.9	-85.5	0	0	0	110.6	F126 H128 R215 V216 E256 M282 Q283 P316	F126-Y258 AromaticContact CZ-CD2 3.87Å; F126-Y258 HydrophobicContact CZ-CD2 3.87Å; F126-Y258 HydrophobicContact CZ-CE2 4.35Å; F126-Y258 HydrophobicContact CZ-CG 4.17Å; H128-Y258 PolarHBondContact NE2-OH 2.81Å; R215-Y258 CarbonylContact C-O 3.57Å; R215-Y258 WeakPolarHBondContact CA-O 3.45Å; V216-Y258 PolarHBondContact N-O 2.76Å; V216-Y258 PolarHBondContact O-N 3.46Å; E256-Y258 HydrophobicContact CB-CE2 3.99Å; E256-Y258 PolarHBondContact OE2-OH 3.33Å; Y258-M282 WeakPolarHBondContact O-CE 3.25Å; Y258-Q283 CarbonylContact C-O 3.53Å; Y258-Q283 VanDerWaalsContact CA-O 3.31Å; Y258-Q283 WeakPolarHBondContact CA-O 3.36Å; Y258-P316 HydrophobicContact CD1-CB 4.32Å; Y258-P316 HydrophobicContact CD1-CG 3.53Å; Y258-P316 HydrophobicContact CE1-CB 4.46Å; Y258-P316 HydrophobicContact CE1-CG 3.63Å; Y258-P316 HydrophobicContact CG-CG 4.34Å
259	V	91.6	Very high	73.3	Confident	37 Å²	37	83.2 Å²	83.2	22%	0.224	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.6	-177	-64.4	0	0	0	0	113.3	L213 F214 R215 T257 Q283	L213-V259 HydrophobicContact CD1-CB 4.48Å; F214-V259 CarbonylContact O-C 3.42Å; F214-V259 VanDerWaalsContact O-CA 3.26Å; F214-V259 WeakPolarHBondContact O-CA 3.36Å; R215-V259 HydrophobicContact CB-CG1 4.36Å; R215-V259 HydrophobicContact CG-CG1 4.2Å; T257-V259 HydrophobicContact CG2-CG1 4.47Å; V259-Q283 PolarHBondContact N-O 2.83Å; V259-Q283 PolarHBondContact O-N 3.45Å
260	A	92.1	Very high	75.7	Confident	12 Å²	12	79.6 Å²	79.6	10%	0.099	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	143.5	166.9	0	0	0	0	0	110.7	L213 F214 V280 M282	L213-A260 WeakPolarHBondContact CA-O 3.49Å; F214-A260 HydrophobicContact CD2-CB 4.48Å; F214-A260 PolarHBondContact N-O 2.95Å; F214-A260 PolarHBondContact O-N 3.02Å; A260-V280 HydrophobicContact CB-CG2 4.17Å; A260-M282 HydrophobicContact CB-CE 4.37Å; A260-M282 HydrophobicContact CB-SD 3.36Å; A260-M282 WeakPolarHBondContact CB-SD 3.46Å
261	Q	91.4	Very high	78.3	Confident	118 Å²	118	72.5 Å²	72.5	55%	0.551	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.3	179.3	-173.5	-178.8	-12.6	0	0	111.3	S211 L212 L213	S211-Q261 VanDerWaalsContact CB-NE2 3.32Å; S211-Q261 PolarHBondContact OG-NE2 3.21Å; L212-Q261 CarbonylContact O-C 3.59Å; L212-Q261 VanDerWaalsContact O-CA 3.29Å; L212-Q261 WeakPolarHBondContact O-CA 3.08Å; L212-Q261 WeakPolarHBondContact O-CG 3.39Å; L213-Q261 HydrophobicContact CD1-CB 4.1Å
262	M	91.9	Very high	80.6	Confident	30 Å²	30	67 Å²	67	15%	0.148	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139	177.5	-63.7	-178.6	85.7	0	0	111.1	S211 L212 F214 L273 Y278 V280 F320	S211-M262 CarbonylContact C-O 3.34Å; S211-M262 WeakPolarHBondContact CA-O 3.19Å; S211-M262 WeakPolarHBondContact CB-O 3.08Å; L212-M262 PolarHBondContact N-O 3.09Å; L212-M262 PolarHBondContact O-N 3.47Å; F214-M262 HydrophobicContact CE2-CB 4.4Å; F214-M262 HydrophobicContact CE2-CG 4.03Å; F214-M262 HydrophobicContact CE2-SD 3.78Å; F214-M262 HydrophobicContact CZ-SD 4.42Å; M262-L273 HydrophobicContact CB-CD1 4.3Å; M262-L273 HydrophobicContact CB-CD2 4.46Å; M262-L273 HydrophobicContact CE-CD2 3.59Å; M262-Y278 HydrophobicContact CE-CD1 3.62Å; M262-Y278 HydrophobicContact CE-CE1 3.96Å; M262-Y278 HydrophobicContact CE-CG 4.47Å; M262-V280 HydrophobicContact CE-CG1 4Å; M262-V280 HydrophobicContact CG-CG1 4.25Å; M262-V280 HydrophobicContact SD-CG1 3.53Å; M262-V280 VanDerWaalsContact SD-CG1 3.53Å; M262-F320 HydrophobicContact SD-CE1 4.31Å; M262-F320 HydrophobicContact SD-CZ 3.7Å
263	T	91.1	Very high	83.1	Confident	53 Å²	53	63.9 Å²	63.9	33%	0.325	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.9	178.6	-60	0	0	0	0	110.4	S211 F265 L273	S211-T263 PolarHBondContact OG-OG1 3.35Å; T263-F265 WeakPolarHBondContact CG2-O 3.3Å; T263-L273 WeakPolarHBondContact O-CG 3.31Å
264	V	89.1	Confident	85.2	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-54.1	176.8	-169.5	0	0	0	0	110	L119 F199 Y210 L212 L271 Q272 L273 W324	L119-V264 HydrophobicContact CD2-CG1 4.45Å; F199-V264 HydrophobicContact CE1-CB 4.49Å; F199-V264 HydrophobicContact CE1-CG1 4.19Å; F199-V264 HydrophobicContact CZ-CG1 4.41Å; Y210-V264 PolarHBondContact O-N 2.81Å; L212-V264 HydrophobicContact CD1-CG2 4.13Å; L212-V264 HydrophobicContact CG-CG2 3.7Å; V264-L271 HydrophobicContact CG1-CD1 4.23Å; V264-Q272 PolarHBondContact O-N 2.66Å; V264-L273 HydrophobicContact CB-CD1 4.4Å; V264-L273 HydrophobicContact CG2-CD1 3.93Å; V264-W324 HydrophobicContact CG1-CH2 3.8Å; V264-W324 HydrophobicContact CG1-CZ2 3.64Å
265	F	87.4	Confident	86.7	Confident	10 Å²	10	59.5 Å²	59.5	4%	0.044	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.4	177	-67.7	-77.8	0	0	0	110.1	L115 F199 S209 Y210 T263 L271 W324	L115-F265 HydrophobicContact CD1-CE1 3.87Å; L115-F265 HydrophobicContact CD1-CZ 4.13Å; L115-F265 HydrophobicContact CD2-CE1 3.76Å; L115-F265 HydrophobicContact CD2-CZ 3.87Å; L115-F265 HydrophobicContact CG-CE1 4.47Å; F199-F265 HydrophobicContact CB-CE2 4.01Å; F199-F265 AromaticContact CD1-CD2 3.94Å; F199-F265 HydrophobicContact CD1-CD2 3.94Å; F199-F265 AromaticContact CD1-CE2 3.73Å; F199-F265 HydrophobicContact CD1-CE2 3.73Å; F199-F265 HydrophobicContact CE1-CD2 4.47Å; F199-F265 HydrophobicContact CE1-CE2 4.31Å; F199-F265 HydrophobicContact CG-CD2 4.47Å; F199-F265 AromaticContact CG-CE2 3.84Å; F199-F265 HydrophobicContact CG-CE2 3.84Å; S209-F265 VanDerWaalsContact CB-O 3.3Å; S209-F265 WeakPolarHBondContact CB-O 3.17Å; Y210-F265 HydrophobicContact CD2-CB 4.08Å; Y210-F265 HydrophobicContact CD2-CD2 4.07Å; Y210-F265 HydrophobicContact CD2-CG 4.46Å; Y210-F265 HydrophobicContact CG-CD2 4.37Å; Y210-F265 PolarHBondContact N-O 2.74Å; Y210-F265 PolarHBondContact O-N 3.26Å; T263-F265 WeakPolarHBondContact CG2-O 3.3Å; F265-L271 HydrophobicContact CD1-CB 4.28Å; F265-L271 HydrophobicContact CD1-CD1 4.42Å; F265-L271 HydrophobicContact CE1-CB 3.89Å; F265-L271 HydrophobicContact CE1-CD1 3.88Å; F265-L271 HydrophobicContact CE1-CG 4.47Å; F265-L271 HydrophobicContact CZ-CD1 3.96Å; F265-W324 HydrophobicContact CE2-CH2 4.1Å; F265-W324 HydrophobicContact CZ-CH2 4.16Å
266	D	85.6	Confident	87.5	Confident	35 Å²	35	57 Å²	57	19%	0.187	27%	0.273	C	S	.	.			trans	-73.5	177.6	175.5	77.5	2	0	0	0	112.2	N268 R269 R270 Q272	D266-N268 PolarHBondContact O-N 2.94Å; D266-N268 VanDerWaalsContact O-N 3.1Å; D266-N268 WeakPolarHBondContact OD1-CA 3.47Å; D266-N268 VanDerWaalsContact OD1-CB 3.32Å; D266-N268 WeakPolarHBondContact OD1-CB 3.45Å; D266-N268 PolarHBondContact OD1-N 2.72Å; D266-R269 WeakPolarHBondContact O-CA 3.42Å; D266-R269 PolarHBondContact O-N 2.95Å; D266-R269 PolarHBondContact OD1-N 2.91Å; D266-R270 PolarHBondContact N-O 3.23Å; D266-R270 PolarHBondContact OD1-N 3.48Å; D266-Q272 HydrophobicContact CB-CG 4.35Å
267	K	84.6	Confident	87.8	Confident	152 Å²	152	61.7 Å²	61.7	66%	0.661	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.9	177.2	71.4	-176.2	178.9	176.8	0	114.3	K208	K208-K267 HydrophobicContact CG-CB 4.19Å; K208-K267 WeakPolarHBondContact O-CA 3.49Å
268	N	84.1	Confident	87.9	Confident	108 Å²	108	62.5 Å²	62.5	58%	0.578	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	5.8	178.1	-69	87.3	0	0	0	111.2	D266 R270	D266-N268 PolarHBondContact O-N 2.94Å; D266-N268 VanDerWaalsContact O-N 3.1Å; D266-N268 WeakPolarHBondContact OD1-CA 3.47Å; D266-N268 VanDerWaalsContact OD1-CB 3.32Å; D266-N268 WeakPolarHBondContact OD1-CB 3.45Å; D266-N268 PolarHBondContact OD1-N 2.72Å; N268-R270 HydrophobicContact CB-CG 4.3Å; N268-R270 PolarHBondContact O-N 3Å
269	R	79.8	Confident	87.9	Confident	136 Å²	136	65.3 Å²	65.3	51%	0.513	31%	0.309	S	S	.	.			trans	62.6	24.5	-178.3	-49.7	-176.6	-169.4	-178.6	2.3	114.4	S204 D266	S204-R269 PolarHBondContact O-NH2 3.25Å; S204-R269 PolarHBondContact OG-NH1 2.86Å; S204-R269 PolarHBondContact OG-NH2 2.78Å; D266-R269 WeakPolarHBondContact O-CA 3.42Å; D266-R269 PolarHBondContact O-N 2.95Å; D266-R269 PolarHBondContact OD1-N 2.91Å
270	R	83	Confident	87.8	Confident	166 Å²	166	64.3 Å²	64.3	63%	0.626	30%	0.303	S	S	*	.			trans	-83.2	125.8	173.8	-62.2	179.6	63.1	-147	-3.4	108.7	D266 N268 Q272	D266-R270 PolarHBondContact N-O 3.23Å; D266-R270 PolarHBondContact OD1-N 3.48Å; N268-R270 HydrophobicContact CB-CG 4.3Å; N268-R270 PolarHBondContact O-N 3Å; R270-Q272 PolarHBondContact O-N 2.81Å; R270-Q272 PolarHBondContact O-NE2 2.71Å; R270-Q272 VanDerWaalsContact O-NE2 3.11Å
271	L	85.5	Confident	87.6	Confident	34 Å²	34	65.1 Å²	65.1	18%	0.178	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-60.5	124.8	171.5	-179.7	62.7	0	0	0	109.4	V264 F265 L273 L274 W324 A334	V264-L271 HydrophobicContact CG1-CD1 4.23Å; F265-L271 HydrophobicContact CD1-CB 4.28Å; F265-L271 HydrophobicContact CD1-CD1 4.42Å; F265-L271 HydrophobicContact CE1-CB 3.89Å; F265-L271 HydrophobicContact CE1-CD1 3.88Å; F265-L271 HydrophobicContact CE1-CG 4.47Å; F265-L271 HydrophobicContact CZ-CD1 3.96Å; L271-L273 WeakPolarHBondContact CD1-O 3.42Å; L271-L274 HydrophobicContact CD2-CD2 4.35Å; L271-W324 HydrophobicContact CD1-CH2 4.12Å; L271-W324 HydrophobicContact CD1-CZ2 3.31Å; L271-A334 HydrophobicContact CD2-CB 4.49Å
272	Q	86.3	Confident	87.5	Confident	87 Å²	87	59.8 Å²	59.8	41%	0.407	28%	0.283	S	S	.	.			trans	-106.6	-29.6	179.1	-58.3	-57.1	-57.5	0	0	112.6	V264 D266 R270	V264-Q272 PolarHBondContact O-N 2.66Å; D266-Q272 HydrophobicContact CB-CG 4.35Å; R270-Q272 PolarHBondContact O-N 2.81Å; R270-Q272 PolarHBondContact O-NE2 2.71Å; R270-Q272 VanDerWaalsContact O-NE2 3.11Å
273	L	87.8	Confident	87.2	Confident	10 Å²	10	63.5 Å²	63.5	5%	0.052	30%	0.3	C	S	.	.			trans	-92.2	112.9	178.3	-60.1	-175.9	0	0	0	109.7	L212 M262 T263 V264 L271 Y278 L322 W324	L212-L273 HydrophobicContact CD1-CD1 4.24Å; M262-L273 HydrophobicContact CB-CD1 4.3Å; M262-L273 HydrophobicContact CB-CD2 4.46Å; M262-L273 HydrophobicContact CE-CD2 3.59Å; T263-L273 WeakPolarHBondContact O-CG 3.31Å; V264-L273 HydrophobicContact CB-CD1 4.4Å; V264-L273 HydrophobicContact CG2-CD1 3.93Å; L271-L273 WeakPolarHBondContact CD1-O 3.42Å; L273-Y278 HydrophobicContact CD2-CE1 4.24Å; L273-L322 HydrophobicContact CB-CD1 3.83Å; L273-L322 HydrophobicContact CD1-CD1 3.87Å; L273-L322 HydrophobicContact CG-CD1 4.38Å; L273-W324 PolarHBondContact O-NE1 3.47Å
274	L	87.8	Confident	86.7	Confident	50 Å²	50	61.9 Å²	61.9	26%	0.262	29%	0.294	S	S	.	.			trans	-102.1	164.7	179.9	-65.5	-176.2	0	0	0	110.6	L271 G276 Y278 P335 A337	L271-L274 HydrophobicContact CD2-CD2 4.35Å; L274-G276 PolarHBondContact O-N 3.05Å; L274-Y278 PolarHBondContact N-OH 2.96Å; L274-Y278 VanDerWaalsContact O-CE2 3.24Å; L274-Y278 WeakPolarHBondContact O-CE2 3.39Å; L274-Y278 PolarHBondContact O-OH 2.78Å; L274-P335 WeakPolarHBondContact CB-O 3.3Å; L274-P335 HydrophobicContact CD1-CB 4.36Å; L274-P335 HydrophobicContact CD2-CB 4.01Å; L274-P335 HydrophobicContact CD2-CG 4.01Å; L274-A337 HydrophobicContact CB-CB 3.95Å
275	D	88.8	Confident	85.8	Confident	11 Å²	11	66.7 Å²	66.7	6%	0.059	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-63.9	129.1	179.9	-82.8	26	0	0	0	111.7	L322 R323 W324 S332 P335 A337	D275-L322 WeakPolarHBondContact CA-O 3.46Å; D275-R323 WeakPolarHBondContact OD1-CA 3.19Å; D275-W324 PolarHBondContact OD1-N 2.89Å; D275-S332 VanDerWaalsContact CG-OG 3.27Å; D275-S332 WeakPolarHBondContact OD2-CB 3.36Å; D275-S332 PolarHBondContact OD2-OG 2.83Å; D275-P335 PolarHBondContact N-O 2.84Å; D275-A337 VanDerWaalsContact O-CB 3.3Å; D275-A337 WeakPolarHBondContact O-CB 3.46Å; D275-A337 PolarHBondContact O-N 3.42Å
276	G	88.3	Confident	84.4	Confident	19 Å²	19	73.8 Å²	73.8	20%	0.196	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.3	-177.1	179.3	0	0	0	0	0	114.5	L274 Y278 T321 L322	L274-G276 PolarHBondContact O-N 3.05Å; G276-Y278 WeakPolarHBondContact O-CD2 3.45Å; G276-T321 WeakPolarHBondContact O-CA 3.43Å; G276-L322 PolarHBondContact N-O 2.85Å; G276-L322 PolarHBondContact O-N 2.79Å
277	E	89.3	Confident	82.7	Confident	173 Å²	173	79.2 Å²	79.2	81%	0.808	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.2	173.4	-64.6	178.2	172.1	0	0	109.4	T321	E277-T321 HydrophobicContact CG-CG2 4.29Å
278	Y	90.2	Very high	80.4	Confident	46 Å²	46	74.2 Å²	74.2	18%	0.18	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.1	-176.7	-72.4	-96.9	0	0	0	110	M262 L273 L274 G276 Q319 F320 L322	M262-Y278 HydrophobicContact CE-CD1 3.62Å; M262-Y278 HydrophobicContact CE-CE1 3.96Å; M262-Y278 HydrophobicContact CE-CG 4.47Å; L273-Y278 HydrophobicContact CD2-CE1 4.24Å; L274-Y278 PolarHBondContact N-OH 2.96Å; L274-Y278 VanDerWaalsContact O-CE2 3.24Å; L274-Y278 WeakPolarHBondContact O-CE2 3.39Å; L274-Y278 PolarHBondContact O-OH 2.78Å; G276-Y278 WeakPolarHBondContact O-CD2 3.45Å; Y278-Q319 WeakPolarHBondContact O-CA 3.32Å; Y278-F320 HydrophobicContact CD2-CE2 4.29Å; Y278-F320 HydrophobicContact CG-CE2 4.2Å; Y278-F320 HydrophobicContact CG-CZ 4.19Å; Y278-F320 PolarHBondContact N-O 3.2Å; Y278-F320 PolarHBondContact O-N 2.85Å; Y278-L322 HydrophobicContact CD2-CB 3.77Å; Y278-L322 HydrophobicContact CE2-CB 3.7Å; Y278-L322 HydrophobicContact CE2-CD1 4.29Å; Y278-L322 HydrophobicContact CE2-CG 4.43Å
279	E	89.6	Confident	78.2	Confident	84 Å²	84	73.8 Å²	73.8	39%	0.393	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129	165.3	-178.8	167.2	-151.4	0	0	107.9	F312 T317 Q319	E279-F312 HydrophobicContact CG-CD1 3.96Å; E279-F312 HydrophobicContact CG-CE1 4.15Å; E279-T317 HydrophobicContact CG-CG2 4.44Å; E279-T317 WeakPolarHBondContact OE1-CB 3.37Å; E279-T317 PolarHBondContact OE1-OG1 3.44Å; E279-Q319 HydrophobicContact CB-CG 4.03Å; E279-Q319 VanDerWaalsContact CD-NE2 3.33Å; E279-Q319 HydrophobicContact CG-CG 3.77Å; E279-Q319 PolarHBondContact OE1-NE2 2.98Å
280	V	90.1	Very high	76.1	Confident	16 Å²	16	73.9 Å²	73.9	10%	0.097	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132	178.7	-61.2	0	0	0	0	110.7	A260 M262 M282 T317 L318 F320	A260-V280 HydrophobicContact CB-CG2 4.17Å; M262-V280 HydrophobicContact CE-CG1 4Å; M262-V280 HydrophobicContact CG-CG1 4.25Å; M262-V280 HydrophobicContact SD-CG1 3.53Å; M262-V280 VanDerWaalsContact SD-CG1 3.53Å; V280-M282 HydrophobicContact CG2-SD 4.11Å; V280-T317 CarbonylContact O-C 3.45Å; V280-T317 VanDerWaalsContact O-CA 3.25Å; V280-T317 WeakPolarHBondContact O-CA 3.36Å; V280-L318 HydrophobicContact CG2-CB 3.8Å; V280-L318 HydrophobicContact CG2-CD2 4.38Å; V280-L318 HydrophobicContact CG2-CG 4.47Å; V280-L318 PolarHBondContact N-O 3Å; V280-L318 PolarHBondContact O-N 2.91Å; V280-F320 HydrophobicContact CG1-CE1 4.07Å; V280-F320 HydrophobicContact CG2-CE1 4.12Å
281	S	89.1	Confident	73.8	Confident	29 Å²	29	69.9 Å²	69.9	20%	0.203	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	132.3	169	61.7	0	0	0	0	110
282	M	87.7	Confident	71.9	Confident	7 Å²	7	77.2 Å²	77.2	3%	0.034	41%	0.411	C	S	.	.			trans	-103.5	145.1	-179.3	-57.2	-77.3	-63.1	0	0	109.4	F126 F214 V216 Y258 A260 V280 P316 L318	F126-M282 HydrophobicContact CD2-CG 4.46Å; F126-M282 HydrophobicContact CE2-CB 4.28Å; F126-M282 HydrophobicContact CE2-CG 3.98Å; F214-M282 HydrophobicContact CB-CE 4.34Å; F214-M282 HydrophobicContact CB-SD 4.45Å; V216-M282 HydrophobicContact CB-CE 4.11Å; V216-M282 HydrophobicContact CG2-CE 3.63Å; Y258-M282 WeakPolarHBondContact O-CE 3.25Å; A260-M282 HydrophobicContact CB-CE 4.37Å; A260-M282 HydrophobicContact CB-SD 3.36Å; A260-M282 WeakPolarHBondContact CB-SD 3.46Å; V280-M282 HydrophobicContact CG2-SD 4.11Å; M282-P316 HydrophobicContact CB-CB 4.3Å; M282-P316 HydrophobicContact CB-CG 4.29Å; M282-P316 PolarHBondContact N-O 2.85Å; M282-L318 HydrophobicContact CG-CB 3.95Å; M282-L318 HydrophobicContact SD-CB 3.79Å; M282-L318 HydrophobicContact SD-CD2 4.24Å
283	Q	85.9	Confident	69.7	Low	107 Å²	107	80.7 Å²	80.7	50%	0.5	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.7	-179.4	-66.5	177.1	6.2	0	0	110.5	Y258 V259	Y258-Q283 CarbonylContact C-O 3.53Å; Y258-Q283 VanDerWaalsContact CA-O 3.31Å; Y258-Q283 WeakPolarHBondContact CA-O 3.36Å; V259-Q283 PolarHBondContact N-O 2.83Å; V259-Q283 PolarHBondContact O-N 3.45Å
284	G	80.1	Confident	67.3	Low	19 Å²	19	90.6 Å²	90.6	20%	0.196	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	141.5	176.2	0	0	0	0	0	111.8	D286 E287	G284-D286 VanDerWaalsContact C-N 3.29Å; G284-D286 PolarHBondContact O-N 2.97Å; G284-E287 PolarHBondContact O-N 3.23Å
285	M	71	Confident	64.8	Low	101 Å²	101	92.9 Å²	92.9	50%	0.498	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-68.2	-29	-176.1	-156	162.5	83.6	0	0	112.7	T257 E287 S288	T257-M285 HydrophobicContact CG2-SD 4.41Å; T257-M285 PolarHBondContact O-N 3.48Å; M285-E287 VanDerWaalsContact C-N 3.33Å; M285-E287 PolarHBondContact O-N 2.91Å; M285-S288 PolarHBondContact O-N 3.32Å; M285-S288 PolarHBondContact O-OG 3.45Å
286	D	58.1	Low	62.3	Low	160 Å²	160	96.7 Å²	96.7	86%	0.856	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-73.7	-18.2	-179.5	-64.7	-35	0	0	0	114	G284	G284-D286 VanDerWaalsContact C-N 3.29Å; G284-D286 PolarHBondContact O-N 2.97Å
287	E	48.9	Very low	59.9	Low	149 Å²	149	106.8 Å²	106.8	70%	0.696	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-96.5	8.3	177.8	-67.7	-164.6	150.1	0	0	113.7	G284 M285 P289	G284-E287 PolarHBondContact O-N 3.23Å; M285-E287 VanDerWaalsContact C-N 3.33Å; M285-E287 PolarHBondContact O-N 2.91Å; E287-P289 WeakPolarHBondContact O-CD 3.49Å
288	S	36.8	Very low	57.4	Low	47 Å²	47	103.9 Å²	103.9	33%	0.329	53%	0.53	S	S	.	.			trans	-95.6	110.1	-172.1	69.8	0	0	0	0	113.3	M285 V290	M285-S288 PolarHBondContact O-N 3.32Å; M285-S288 PolarHBondContact O-OG 3.45Å; S288-V290 VanDerWaalsContact C-N 3.3Å; S288-V290 PolarHBondContact O-N 3.28Å
289	P	37.6	Very low	55.2	Low	99 Å²	99	103.7 Å²	103.7	64%	0.643	53%	0.534	S	S	*	.			trans	-73	92.5	160.3	29.3	-30.3	0	0	0	106.8	E287 S291	E287-P289 WeakPolarHBondContact O-CD 3.49Å; P289-S291 PolarHBondContact O-N 2.88Å
290	V	36.5	Very low	52.9	Low	137 Å²	137	104.8 Å²	104.8	83%	0.83	54%	0.541	S	S	*	.			trans	-65.1	79.2	-179.7	-175.2	0	0	0	0	110.3	S288	S288-V290 VanDerWaalsContact C-N 3.3Å; S288-V290 PolarHBondContact O-N 3.28Å
291	S	34.7	Very low	50.6	Low	82 Å²	82	106.9 Å²	106.9	57%	0.573	55%	0.552	S	S	*	*	S	Bend	trans	-135.4	101	162.7	71.7	0	0	0	0	108.9	P289 K293	P289-S291 PolarHBondContact O-N 2.88Å; S291-K293 VanDerWaalsContact C-N 3.34Å; S291-K293 PolarHBondContact O-N 3.45Å
292	K	44.6	Very low	48.4	Very low	188 Å²	188	113.1 Å²	113.1	82%	0.817	58%	0.582	S	S	*	*			trans	10.8	65.5	155.5	-58.3	174.7	-176.6	173.2	0	116.1
293	K	40.6	Very low	46.5	Very low	160 Å²	160	116.3 Å²	116.3	70%	0.696	62%	0.617	S	S	*	*			trans	-81.2	126.2	170.1	-76	-176.3	-177	174.4	0	108.7	S291	S291-K293 VanDerWaalsContact C-N 3.34Å; S291-K293 PolarHBondContact O-N 3.45Å
294	R	37	Very low	44.6	Very low	218 Å²	218	119 Å²	119	82%	0.823	63%	0.628	S	S	*	*			trans	-56.8	134.4	170.4	-173.8	-176.2	-82.4	-172.7	-3.7	107.4	T296	R294-T296 PolarHBondContact O-N 2.96Å; R294-T296 PolarHBondContact O-OG1 3.46Å; R294-T296 VanDerWaalsContact O-OG1 3.05Å
295	A	36.9	Very low	43	Very low	98 Å²	98	127.9 Å²	127.9	81%	0.81	66%	0.655	S	S	*	*			trans	-49.1	109.8	170.1	0	0	0	0	0	108.4
296	T	35.8	Very low	42.1	Very low	91 Å²	91	124.8 Å²	124.8	56%	0.558	64%	0.64	S	S	*	*			trans	-123.8	139.5	-180	29.8	0	0	0	0	105.4	R294 E298	R294-T296 PolarHBondContact O-N 2.96Å; R294-T296 PolarHBondContact O-OG1 3.46Å; R294-T296 VanDerWaalsContact O-OG1 3.05Å; T296-E298 PolarHBondContact O-N 3.05Å
297	W	38.2	Very low	42	Very low	232 Å²	232	120.2 Å²	120.2	88%	0.879	62%	0.619	S	S	*	*	S	Bend	trans	-70.1	18.2	178.5	-74	97.4	0	0	0	113
298	E	35.5	Very low	42.1	Very low	112 Å²	112	116.6 Å²	116.6	52%	0.523	61%	0.609	S	S	.	*			trans	-130.7	115.4	-173.5	-62.8	-173.1	133.8	0	0	109.3	T296 R305	T296-E298 PolarHBondContact O-N 3.05Å; E298-R305 IonicContact OE1-CZ 2.81Å; E298-R305 IonicContact OE1-NH2 3.6Å; E298-R305 PolarHBondContact OE1-NH2 3.28Å
299	T	43.6	Very low	43.1	Very low	42 Å²	42	120.8 Å²	120.8	26%	0.258	62%	0.621	S	S	.	*			trans	-92.9	124.6	176.2	-42.8	0	0	0	0	108.8	L301	T299-L301 HydrophobicContact CG2-CD1 4.46Å
300	I	43	Very low	44.2	Very low	106 Å²	106	120.4 Å²	120.4	54%	0.544	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.9	117.8	173.4	-56.4	172.2	0	0	0	106.9
301	L	41.8	Very low	45.3	Very low	61 Å²	61	114.6 Å²	114.6	32%	0.319	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.3	133.3	170.5	-79.8	153.6	0	0	0	107.5	T299 G303 K304 I306 T311	T299-L301 HydrophobicContact CG2-CD1 4.46Å; L301-G303 VanDerWaalsContact C-N 3.26Å; L301-G303 PolarHBondContact O-N 3.15Å; L301-K304 PolarHBondContact O-N 3.31Å; L301-K304 VanDerWaalsContact O-N 3.11Å; L301-K304 VanDerWaalsContact O-O 3.12Å; L301-I306 HydrophobicContact CB-CD1 3.71Å; L301-I306 HydrophobicContact CD1-CD1 3.85Å; L301-I306 HydrophobicContact CG-CD1 4.39Å; L301-T311 HydrophobicContact CD1-CG2 4.3Å
302	D	42.2	Very low	46.7	Very low	159 Å²	159	114.1 Å²	114.1	85%	0.85	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.9	36.1	177.4	-66.2	-17.8	0	0	0	117.1	K304	D302-K304 PolarHBondContact O-N 2.8Å
303	G	47.3	Very low	47.7	Very low	74 Å²	74	108.7 Å²	108.7	76%	0.763	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	3.2	177.5	0	0	0	0	0	114.9	L301	L301-G303 VanDerWaalsContact C-N 3.26Å; L301-G303 PolarHBondContact O-N 3.15Å
304	K	46.8	Very low	48.9	Very low	165 Å²	165	107.9 Å²	107.9	72%	0.717	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	141.1	172.9	-68.8	-177	-177.6	175.2	0	110.3	L301 D302 I306	L301-K304 PolarHBondContact O-N 3.31Å; L301-K304 VanDerWaalsContact O-N 3.11Å; L301-K304 VanDerWaalsContact O-O 3.12Å; D302-K304 PolarHBondContact O-N 2.8Å; K304-I306 PolarHBondContact O-N 3.03Å
305	R	46.3	Very low	50.8	Low	205 Å²	205	99 Å²	99	77%	0.774	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	108	-179.8	-160.2	-176.8	-162.5	-171.4	3.8	108.3	E298	E298-R305 IonicContact OE1-CZ 2.81Å; E298-R305 IonicContact OE1-NH2 3.6Å; E298-R305 PolarHBondContact OE1-NH2 3.28Å
306	I	52.3	Low	53.2	Low	36 Å²	36	95 Å²	95	19%	0.185	49%	0.49	C	S	.	.			trans	-92.4	132.4	175.6	-56.7	-171.2	0	0	0	108.5	L301 K304 E310	L301-I306 HydrophobicContact CB-CD1 3.71Å; L301-I306 HydrophobicContact CD1-CD1 3.85Å; L301-I306 HydrophobicContact CG-CD1 4.39Å; K304-I306 PolarHBondContact O-N 3.03Å; I306-E310 HydrophobicContact CG2-CB 3.57Å
307	P	55.9	Low	55.8	Low	63 Å²	63	90.9 Å²	90.9	41%	0.409	46%	0.464	S	S	.	.			trans	-53.1	143.3	171.6	-25.9	34.6	0	0	0	111.8	F309 E310	P307-F309 PolarHBondContact O-N 3.29Å; P307-E310 HydrophobicContact CB-CG 4.35Å; P307-E310 VanDerWaalsContact CD-OE2 3.32Å; P307-E310 WeakPolarHBondContact CD-OE2 3.38Å; P307-E310 HydrophobicContact CG-CG 4.35Å; P307-E310 PolarHBondContact O-N 3.11Å; P307-E310 VanDerWaalsContact O-N 3.11Å
308	P	50.8	Low	58.3	Low	74 Å²	74	79.9 Å²	79.9	48%	0.481	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-9.3	-171.1	-27.3	34.3	0	0	0	117.5
309	F	58.3	Low	61	Low	135 Å²	135	77.3 Å²	77.3	59%	0.592	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	-15.2	-176.1	-61.3	-74	0	0	0	114.2	P307 T311 F312	P307-F309 PolarHBondContact O-N 3.29Å; F309-T311 VanDerWaalsContact C-N 3.26Å; F309-T311 PolarHBondContact O-N 3.45Å; F309-F312 PolarHBondContact O-N 3.06Å
310	E	60.1	Low	63.3	Low	90 Å²	90	75.4 Å²	75.4	42%	0.421	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.7	179.7	-82.2	-179.2	-169.7	0	0	112.3	I306 P307 F312 S313 Q314	I306-E310 HydrophobicContact CG2-CB 3.57Å; P307-E310 HydrophobicContact CB-CG 4.35Å; P307-E310 VanDerWaalsContact CD-OE2 3.32Å; P307-E310 WeakPolarHBondContact CD-OE2 3.38Å; P307-E310 HydrophobicContact CG-CG 4.35Å; P307-E310 PolarHBondContact O-N 3.11Å; P307-E310 VanDerWaalsContact O-N 3.11Å; E310-F312 PolarHBondContact O-N 2.85Å; E310-S313 PolarHBondContact O-N 3.36Å; E310-Q314 PolarHBondContact O-N 2.92Å
311	T	59.8	Low	65.7	Low	16 Å²	16	72.1 Å²	72.1	10%	0.098	38%	0.384	C	S	.	.	H	α-helix	trans	-61.1	-30	174.1	-46	0	0	0	0	112.6	L301 F309 S313 G315	L301-T311 HydrophobicContact CD1-CG2 4.3Å; F309-T311 VanDerWaalsContact C-N 3.26Å; F309-T311 PolarHBondContact O-N 3.45Å; T311-S313 VanDerWaalsContact C-N 3.31Å; T311-G315 PolarHBondContact O-N 3.05Å; T311-G315 VanDerWaalsContact O-N 3.11Å
312	F	64	Low	68	Low	71 Å²	71	69.2 Å²	69.2	31%	0.311	37%	0.368	S	S	.	.	H	α-helix	trans	-77.9	-17.2	177.3	-65.7	-92.2	0	0	0	112.8	E279 F309 E310 T317	E279-F312 HydrophobicContact CG-CD1 3.96Å; E279-F312 HydrophobicContact CG-CE1 4.15Å; F309-F312 PolarHBondContact O-N 3.06Å; E310-F312 PolarHBondContact O-N 2.85Å; F312-T317 HydrophobicContact CD1-CG2 4.07Å
313	S	65.1	Low	70.3	Confident	75 Å²	75	67.7 Å²	67.7	52%	0.524	35%	0.351	S	S	.	.	H	α-helix	trans	-89	-20.6	-179.4	-42.3	0	0	0	0	113	K129 E310 T311	K129-S313 PolarHBondContact NZ-O 2.81Å; E310-S313 PolarHBondContact O-N 3.36Å; T311-S313 VanDerWaalsContact C-N 3.31Å
314	Q	66.2	Low	72.1	Confident	143 Å²	143	64.4 Å²	64.4	67%	0.668	32%	0.315	S	S	*	.	H	α-helix	trans	-123.2	-26.2	-167.6	-62.3	178	16.9	0	0	114.2	E310	E310-Q314 PolarHBondContact O-N 2.92Å
315	G	76.3	Confident	73.8	Confident	30 Å²	30	57.6 Å²	57.6	31%	0.309	29%	0.288	S	S	.	.	S	Bend	trans	-106.1	171.3	-177.9	0	0	0	0	0	114.5	T311	T311-G315 PolarHBondContact O-N 3.05Å; T311-G315 VanDerWaalsContact O-N 3.11Å
316	P	87.9	Confident	74.7	Confident	15 Å²	15	49 Å²	49	10%	0.097	26%	0.263	C	S	.	.			trans	-64.6	137.8	175.4	19.5	-23.6	0	0	0	111.8	F126 F127 H128 Y258 M282	F126-P316 HydrophobicContact CE2-CB 3.82Å; F126-P316 HydrophobicContact CZ-CB 3.58Å; F127-P316 CarbonylContact O-C 3.56Å; F127-P316 WeakPolarHBondContact O-CA 3.46Å; H128-P316 HydrophobicContact CB-CB 4.18Å; H128-P316 WeakPolarHBondContact ND1-CB 3.36Å; Y258-P316 HydrophobicContact CD1-CB 4.32Å; Y258-P316 HydrophobicContact CD1-CG 3.53Å; Y258-P316 HydrophobicContact CE1-CB 4.46Å; Y258-P316 HydrophobicContact CE1-CG 3.63Å; Y258-P316 HydrophobicContact CG-CG 4.34Å; M282-P316 HydrophobicContact CB-CB 4.3Å; M282-P316 HydrophobicContact CB-CG 4.29Å; M282-P316 PolarHBondContact N-O 2.85Å
317	T	90.4	Very high	75	Confident	5 Å²	5	53.1 Å²	53.1	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.4	176.8	69.6	0	0	0	0	112.1	F126 F127 E279 V280 F312	F126-T317 CarbonylContact C-O 3.56Å; F126-T317 WeakPolarHBondContact CA-O 3.44Å; F126-T317 VanDerWaalsContact CD2-O 3.3Å; F126-T317 WeakPolarHBondContact CD2-O 3.23Å; F127-T317 PolarHBondContact N-O 2.79Å; F127-T317 PolarHBondContact O-N 3.49Å; E279-T317 HydrophobicContact CG-CG2 4.44Å; E279-T317 WeakPolarHBondContact OE1-CB 3.37Å; E279-T317 PolarHBondContact OE1-OG1 3.44Å; V280-T317 CarbonylContact O-C 3.45Å; V280-T317 VanDerWaalsContact O-CA 3.25Å; V280-T317 WeakPolarHBondContact O-CA 3.36Å; F312-T317 HydrophobicContact CD1-CG2 4.07Å
318	L	91.3	Very high	74.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.7	171.8	177.5	70.9	0	0	0	108.4	F123 F126 L146 V175 F214 V280 M282 F320	F123-L318 HydrophobicContact CD1-CD1 4.28Å; F123-L318 HydrophobicContact CD1-CD2 4.25Å; F123-L318 HydrophobicContact CD1-CG 4.43Å; F123-L318 HydrophobicContact CE1-CD2 4.27Å; F126-L318 HydrophobicContact CB-CD1 4.32Å; F126-L318 HydrophobicContact CD2-CB 4.44Å; L146-L318 HydrophobicContact CD1-CD2 4.01Å; L146-L318 HydrophobicContact CD2-CD1 4.33Å; L146-L318 HydrophobicContact CD2-CD2 4.22Å; V175-L318 HydrophobicContact CG1-CD1 4.48Å; F214-L318 HydrophobicContact CB-CD2 4Å; F214-L318 HydrophobicContact CD1-CD2 3.95Å; F214-L318 HydrophobicContact CG-CD2 4Å; V280-L318 HydrophobicContact CG2-CB 3.8Å; V280-L318 HydrophobicContact CG2-CD2 4.38Å; V280-L318 HydrophobicContact CG2-CG 4.47Å; V280-L318 PolarHBondContact N-O 3Å; V280-L318 PolarHBondContact O-N 2.91Å; M282-L318 HydrophobicContact CG-CB 3.95Å; M282-L318 HydrophobicContact SD-CB 3.79Å; M282-L318 HydrophobicContact SD-CD2 4.24Å; L318-F320 HydrophobicContact CD2-CD1 4.47Å; L318-F320 HydrophobicContact CG-CD1 4.37Å
319	Q	91.9	Very high	74.5	Confident	58 Å²	58	55.8 Å²	55.8	27%	0.271	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.3	177.9	-65.9	-177.7	0.3	0	0	110.8	T124 G125 F127 Y278 E279	T124-Q319 PolarHBondContact N-O 3Å; T124-Q319 WeakPolarHBondContact OG1-CB 3.34Å; T124-Q319 PolarHBondContact OG1-O 3Å; G125-Q319 PolarHBondContact O-N 2.97Å; F127-Q319 HydrophobicContact CD2-CG 3.97Å; F127-Q319 HydrophobicContact CE2-CB 3.99Å; F127-Q319 HydrophobicContact CE2-CG 3.71Å; F127-Q319 VanDerWaalsContact CE2-OE1 3.23Å; Y278-Q319 WeakPolarHBondContact O-CA 3.32Å; E279-Q319 HydrophobicContact CB-CG 4.03Å; E279-Q319 VanDerWaalsContact CD-NE2 3.33Å; E279-Q319 HydrophobicContact CG-CG 3.77Å; E279-Q319 PolarHBondContact OE1-NE2 2.98Å
320	F	92.7	Very high	74.1	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.009	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	156.4	179.1	64.3	-84.9	0	0	0	112.5	L121 T122 F123 F214 M262 Y278 V280 L318 L322	L121-F320 HydrophobicContact CD2-CD2 3.89Å; L121-F320 HydrophobicContact CD2-CE2 3.76Å; T122-F320 CarbonylContact O-C 3.59Å; T122-F320 WeakPolarHBondContact O-CA 3.15Å; T122-F320 VanDerWaalsContact O-CB 3.31Å; T122-F320 WeakPolarHBondContact O-CB 3.33Å; F123-F320 HydrophobicContact CB-CB 4.42Å; F123-F320 HydrophobicContact CD1-CB 3.55Å; F123-F320 HydrophobicContact CD1-CD1 4.38Å; F123-F320 HydrophobicContact CD1-CG 4.1Å; F123-F320 HydrophobicContact CE1-CB 4.01Å; F123-F320 HydrophobicContact CE1-CD1 4.33Å; F123-F320 HydrophobicContact CE1-CG 4.09Å; F123-F320 HydrophobicContact CG-CB 4.22Å; F214-F320 HydrophobicContact CE2-CE1 4.4Å; F214-F320 HydrophobicContact CE2-CZ 4.26Å; F214-F320 HydrophobicContact CZ-CE1 4.12Å; F214-F320 HydrophobicContact CZ-CE2 4.39Å; F214-F320 AromaticContact CZ-CZ 3.84Å; F214-F320 HydrophobicContact CZ-CZ 3.84Å; M262-F320 HydrophobicContact SD-CE1 4.31Å; M262-F320 HydrophobicContact SD-CZ 3.7Å; Y278-F320 HydrophobicContact CD2-CE2 4.29Å; Y278-F320 HydrophobicContact CG-CE2 4.2Å; Y278-F320 HydrophobicContact CG-CZ 4.19Å; Y278-F320 PolarHBondContact N-O 3.2Å; Y278-F320 PolarHBondContact O-N 2.85Å; V280-F320 HydrophobicContact CG1-CE1 4.07Å; V280-F320 HydrophobicContact CG2-CE1 4.12Å; L318-F320 HydrophobicContact CD2-CD1 4.47Å; L318-F320 HydrophobicContact CG-CD1 4.37Å; F320-L322 HydrophobicContact CD2-CB 4.45Å; F320-L322 HydrophobicContact CE2-CB 4.2Å; F320-L322 HydrophobicContact CE2-CD1 4.31Å
321	T	91.8	Very high	73.8	Confident	37 Å²	37	57.2 Å²	57.2	23%	0.227	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.3	170.7	-47.4	0	0	0	0	109.7	L121 T122 G276 E277 R323	L121-T321 WeakPolarHBondContact CA-O 3.32Å; T122-T321 PolarHBondContact N-O 3.38Å; T122-T321 PolarHBondContact O-N 2.83Å; G276-T321 WeakPolarHBondContact O-CA 3.43Å; E277-T321 HydrophobicContact CG-CG2 4.29Å; T321-R323 HydrophobicContact CG2-CG 4.47Å
322	L	91.6	Very high	73.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.5	177.5	-173.1	155.4	0	0	0	109.7	L119 Q120 L121 L273 D275 G276 Y278 F320	L119-L322 HydrophobicContact CD1-CD1 3.88Å; L119-L322 HydrophobicContact CD1-CD2 3.5Å; L119-L322 HydrophobicContact CD1-CG 3.52Å; Q120-L322 WeakPolarHBondContact O-CA 3.4Å; L121-L322 HydrophobicContact CD2-CB 4.13Å; L121-L322 HydrophobicContact CD2-CD1 3.8Å; L121-L322 HydrophobicContact CD2-CG 3.84Å; L273-L322 HydrophobicContact CB-CD1 3.83Å; L273-L322 HydrophobicContact CD1-CD1 3.87Å; L273-L322 HydrophobicContact CG-CD1 4.38Å; D275-L322 WeakPolarHBondContact CA-O 3.46Å; G276-L322 PolarHBondContact N-O 2.85Å; G276-L322 PolarHBondContact O-N 2.79Å; Y278-L322 HydrophobicContact CD2-CB 3.77Å; Y278-L322 HydrophobicContact CE2-CB 3.7Å; Y278-L322 HydrophobicContact CE2-CD1 4.29Å; Y278-L322 HydrophobicContact CE2-CG 4.43Å; F320-L322 HydrophobicContact CD2-CB 4.45Å; F320-L322 HydrophobicContact CE2-CB 4.2Å; F320-L322 HydrophobicContact CE2-CD1 4.31Å
323	R	88.9	Confident	73.1	Confident	128 Å²	128	59.4 Å²	59.4	48%	0.483	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	136.9	173.6	-66.4	-165.5	-71	-175.7	-3.5	112.5	Q120 D275 T321 T325	Q120-R323 PolarHBondContact N-O 2.83Å; Q120-R323 PolarHBondContact O-N 3.47Å; D275-R323 WeakPolarHBondContact OD1-CA 3.19Å; T321-R323 HydrophobicContact CG2-CG 4.47Å; R323-T325 HydrophobicContact CB-CG2 4.29Å
324	W	86.6	Confident	72.8	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.015	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.2	169.7	-70.2	96.3	0	0	0	110.4	S117 H118 L119 F199 V264 F265 L271 L273 D275 S332 A334	S117-W324 WeakPolarHBondContact O-CZ3 3.35Å; H118-W324 CarbonylContact O-C 3.44Å; H118-W324 VanDerWaalsContact O-CA 3.31Å; H118-W324 WeakPolarHBondContact O-CA 3.35Å; L119-W324 HydrophobicContact CB-CD2 4.4Å; L119-W324 HydrophobicContact CB-CE3 3.96Å; L119-W324 HydrophobicContact CB-CH2 3.97Å; L119-W324 HydrophobicContact CB-CZ2 4.36Å; L119-W324 HydrophobicContact CB-CZ3 3.76Å; L119-W324 HydrophobicContact CD1-CD2 4.09Å; L119-W324 HydrophobicContact CD1-CE3 4.48Å; L119-W324 HydrophobicContact CD1-CH2 4.39Å; L119-W324 HydrophobicContact CD1-CZ2 3.94Å; L119-W324 HydrophobicContact CD2-CH2 4.16Å; L119-W324 HydrophobicContact CD2-CZ2 4.17Å; L119-W324 HydrophobicContact CG-CH2 4.42Å; L119-W324 HydrophobicContact CG-CZ2 4.41Å; F199-W324 HydrophobicContact CD2-CH2 4.43Å; F199-W324 HydrophobicContact CD2-CZ3 4.38Å; F199-W324 HydrophobicContact CE2-CH2 4.1Å; F199-W324 HydrophobicContact CE2-CZ3 4.18Å; F199-W324 HydrophobicContact CZ-CH2 4.4Å; V264-W324 HydrophobicContact CG1-CH2 3.8Å; V264-W324 HydrophobicContact CG1-CZ2 3.64Å; F265-W324 HydrophobicContact CE2-CH2 4.1Å; F265-W324 HydrophobicContact CZ-CH2 4.16Å; L271-W324 HydrophobicContact CD1-CH2 4.12Å; L271-W324 HydrophobicContact CD1-CZ2 3.31Å; L273-W324 PolarHBondContact O-NE1 3.47Å; D275-W324 PolarHBondContact OD1-N 2.89Å; W324-S332 WeakPolarHBondContact O-CA 3.45Å; W324-S332 PolarHBondContact O-OG 2.8Å; W324-A334 HydrophobicContact CB-CB 3.64Å; W324-A334 VanDerWaalsContact CD1-CB 3.46Å; W324-A334 HydrophobicContact CG-CB 3.74Å
325	T	80.7	Confident	72.6	Confident	23 Å²	23	53.7 Å²	53.7	14%	0.141	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130	-172.8	56.2	0	0	0	0	111.3	S117 H118 R323	S117-T325 CarbonylContact C-O 3.58Å; S117-T325 WeakPolarHBondContact CA-O 3.48Å; H118-T325 WeakPolarHBondContact CA-O 3.32Å; H118-T325 WeakPolarHBondContact CB-O 3.38Å; H118-T325 PolarHBondContact N-O 3.01Å; H118-T325 PolarHBondContact O-N 2.83Å; R323-T325 HydrophobicContact CB-CG2 4.29Å
326	G	66.7	Low	72.2	Confident	24 Å²	24	57.4 Å²	57.4	25%	0.247	35%	0.354	C	S	.	.	S	Bend	trans	-70.3	-52.8	178.2	0	0	0	0	0	112.6	H118	H118-G326 PolarHBondContact ND1-O 3.38Å; H118-G326 VanDerWaalsContact ND1-O 3.14Å
327	D	59.2	Low	70.9	Confident	123 Å²	123	58.1 Å²	58.1	66%	0.658	36%	0.362	S	S	*	.	S	Bend	trans	-148.4	165.2	179.9	-136.7	-19.5	0	0	0	109.7	G329 A330	D327-G329 PolarHBondContact O-N 2.8Å; D327-A330 PolarHBondContact O-N 3.49Å
328	A	45	Very low	69.5	Low	109 Å²	109	67 Å²	67	90%	0.901	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	90.7	-177.5	0	0	0	0	0	111.9
329	G	50.8	Low	67.5	Low	83 Å²	83	72.6 Å²	72.6	86%	0.856	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.5	-3.5	179.8	0	0	0	0	0	116	D327	D327-G329 PolarHBondContact O-N 2.8Å
330	A	50.2	Low	65.3	Low	54 Å²	54	76.2 Å²	76.2	45%	0.446	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-79.6	148.1	178.8	0	0	0	0	0	113.1	D327	D327-A330 PolarHBondContact O-N 3.49Å
331	K	53.4	Low	62.5	Low	202 Å²	202	81.4 Å²	81.4	88%	0.878	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-65	141.8	173.5	-67.4	-177.2	-178.4	178.7	0	110.3
332	S	52.3	Low	59.8	Low	55 Å²	55	84.4 Å²	84.4	39%	0.385	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-56.2	137.9	-176.9	176	0	0	0	0	112.6	D275 W324 A334	D275-S332 VanDerWaalsContact CG-OG 3.27Å; D275-S332 WeakPolarHBondContact OD2-CB 3.36Å; D275-S332 PolarHBondContact OD2-OG 2.83Å; W324-S332 WeakPolarHBondContact O-CA 3.45Å; W324-S332 PolarHBondContact O-OG 2.8Å; S332-A334 PolarHBondContact OG-N 3.19Å
333	T	56	Low	57	Low	78 Å²	78	95.7 Å²	95.7	48%	0.479	55%	0.554	S	S	.	*			trans	-96.2	-9.6	178.6	52	0	0	0	0	113	S117	S117-T333 WeakPolarHBondContact CB-OG1 3.25Å; S117-T333 PolarHBondContact OG-OG1 2.79Å
334	A	59.9	Low	54.3	Low	16 Å²	16	96.9 Å²	96.9	13%	0.132	57%	0.57	C	S	.	*	S	Bend	trans	-96.2	150.3	-177.6	0	0	0	0	0	112	L271 W324 S332	L271-A334 HydrophobicContact CD2-CB 4.49Å; W324-A334 HydrophobicContact CB-CB 3.64Å; W324-A334 VanDerWaalsContact CD1-CB 3.46Å; W324-A334 HydrophobicContact CG-CB 3.74Å; S332-A334 PolarHBondContact OG-N 3.19Å
335	P	61.5	Low	51.7	Low	81 Å²	81	101.7 Å²	101.7	53%	0.526	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-57.5	141.8	170.6	-17.4	27.7	0	0	0	110.7	L274 D275	L274-P335 WeakPolarHBondContact CB-O 3.3Å; L274-P335 HydrophobicContact CD1-CB 4.36Å; L274-P335 HydrophobicContact CD2-CB 4.01Å; L274-P335 HydrophobicContact CD2-CG 4.01Å; D275-P335 PolarHBondContact N-O 2.84Å
336	V	67.6	Low	49.4	Very low	108 Å²	108	109.9 Å²	109.9	66%	0.655	64%	0.641	S	S	*	*	B	Isolated β-bridge	trans	-73.6	133.7	172.8	-178.1	0	0	0	0	109.2	K338	V336-K338 PolarHBondContact O-N 2.85Å; V336-K338 VanDerWaalsContact O-N 3.12Å
337	A	61.4	Low	47.5	Very low	31 Å²	31	113.4 Å²	113.4	26%	0.256	67%	0.668	S	S	.	*			trans	-57.9	115.2	171	0	0	0	0	0	108.5	L274 D275	L274-A337 HydrophobicContact CB-CB 3.95Å; D275-A337 VanDerWaalsContact O-CB 3.3Å; D275-A337 WeakPolarHBondContact O-CB 3.46Å; D275-A337 PolarHBondContact O-N 3.42Å
338	K	60.4	Low	46.3	Very low	190 Å²	190	114.3 Å²	114.3	83%	0.826	68%	0.678	S	S	*	*			trans	-73.9	127.6	169.4	-67.2	-177.3	-179.7	-178.3	0	107.1	V336 L340	V336-K338 PolarHBondContact O-N 2.85Å; V336-K338 VanDerWaalsContact O-N 3.12Å; K338-L340 PolarHBondContact O-N 3.35Å
339	P	49.5	Very low	45.6	Very low	119 Å²	119	114.4 Å²	114.4	77%	0.773	67%	0.672	S	S	*	*			trans	-54.3	136.4	174	22.1	-31	0	0	0	108.2	S341	P339-S341 VanDerWaalsContact C-N 3.34Å; P339-S341 PolarHBondContact O-N 2.95Å
340	L	44.3	Very low	44.7	Very low	134 Å²	134	116.4 Å²	116.4	70%	0.702	67%	0.67	S	S	*	*			trans	-59.4	104.3	170.5	-71.5	167.8	0	0	0	106.3	K338 T342	K338-L340 PolarHBondContact O-N 3.35Å; L340-T342 PolarHBondContact O-N 3.13Å
341	S	34.6	Very low	43.8	Very low	111 Å²	111	122.1 Å²	122.1	78%	0.776	69%	0.69	S	S	*	*			trans	-56	108.3	167.1	52.9	0	0	0	0	106.2	P339 R343	P339-S341 VanDerWaalsContact C-N 3.34Å; P339-S341 PolarHBondContact O-N 2.95Å; S341-R343 PolarHBondContact O-N 3.43Å
342	T	34.5	Very low	42.6	Very low	99 Å²	99	120.2 Å²	120.2	61%	0.607	68%	0.684	S	S	*	*			trans	-57.3	115.2	171.5	49.4	0	0	0	0	105.8	L340 N344	L340-T342 PolarHBondContact O-N 3.13Å; T342-N344 PolarHBondContact O-N 2.91Å
343	R	33.4	Very low	42	Very low	237 Å²	237	123.4 Å²	123.4	89%	0.894	70%	0.701	S	S	*	*	S	Bend	trans	-72.2	68.5	176.2	-169.2	-174.8	91.7	166.8	9	107.8	S341	S341-R343 PolarHBondContact O-N 3.43Å
344	N	32.7	Very low	40.8	Very low	154 Å²	154	130 Å²	130	82%	0.824	72%	0.718	S	S	*	*			trans	-160.8	29.8	-177.6	-103.4	6	0	0	0	114.6	T342	T342-N344 PolarHBondContact O-N 2.91Å
345	S	32.3	Very low	39.4	Very low	105 Å²	105	135 Å²	135	73%	0.734	75%	0.747	S	S	*	*	S	Bend	trans	-126.4	12.1	173.8	-51.2	0	0	0	0	115.8
346	E	30.8	Very low	38.1	Very low	194 Å²	194	136.4 Å²	136.4	91%	0.907	76%	0.758	S	S	*	*			trans	-135.7	84.1	167	-75.5	-173.8	169.8	0	0	109.8
347	A	28.6	Very low	36.6	Very low	98 Å²	98	139 Å²	139	81%	0.81	76%	0.763	S	S	*	*			trans	-120.5	64.7	166.9	0	0	0	0	0	109.3
348	T	32	Very low	35.1	Very low	143 Å²	143	145.7 Å²	145.7	88%	0.877	79%	0.788	S	S	*	*			trans	-148.1	70	157.5	39.3	0	0	0	0	109.8
349	S	31.3	Very low	33.8	Very low	110 Å²	110	148.4 Å²	148.4	77%	0.769	79%	0.793	S	S	*	*	S	Bend	trans	-151.7	146.1	149.5	61.5	0	0	0	0	110.4	M351	S349-M351 PolarHBondContact O-N 3.35Å
350	P	32.9	Very low	33.1	Very low	125 Å²	125	147 Å²	147	81%	0.812	79%	0.791	S	S	*	*			trans	-80.4	121.7	-170.2	19.5	-9.7	0	0	0	111.7	E352	P350-E352 PolarHBondContact O-N 3.36Å
351	M	29.3	Very low	32.5	Very low	175 Å²	175	144 Å²	144	86%	0.862	79%	0.786	S	S	*	*			trans	11.9	100.3	143.3	-168.9	159	141.8	0	0	117.4	S349	S349-M351 PolarHBondContact O-N 3.35Å
352	E	28.9	Very low	32.5	Very low	161 Å²	161	146.1 Å²	146.1	75%	0.752	79%	0.788	S	S	*	*			trans	-108.2	120.6	151	-81.8	-165.7	169.9	0	0	110.2	P350 R354	P350-E352 PolarHBondContact O-N 3.36Å; E352-R354 PolarHBondContact O-N 2.95Å; E352-R354 IonicContact OE2-NH1 3.63Å
353	T	39.1	Very low	32.6	Very low	123 Å²	123	150.1 Å²	150.1	76%	0.755	80%	0.802	S	S	*	*			trans	-65.5	111.6	172.1	22.4	0	0	0	0	111
354	R	30.9	Very low	32.6	Very low	217 Å²	217	147.5 Å²	147.5	82%	0.819	80%	0.797	S	S	*	*			trans	-132.8	112.6	164.6	-84.8	-171.3	163	123.2	-5.3	113.8	E352	E352-R354 PolarHBondContact O-N 2.95Å; E352-R354 IonicContact OE2-NH1 3.63Å
355	T	30.5	Very low	32.4	Very low	121 Å²	121	149.5 Å²	149.5	74%	0.742	80%	0.799	S	S	*	*			trans	-65	162.6	172.3	42.3	0	0	0	0	113.6	H357	T355-H357 PolarHBondContact O-N 2.67Å
356	S	34.8	Very low	32.5	Very low	110 Å²	110	153.8 Å²	153.8	77%	0.769	81%	0.807	S	S	*	*	S	Bend	trans	-57.6	88.6	-177.9	52.6	0	0	0	0	115.6
357	H	35.8	Very low	32.4	Very low	162 Å²	162	149.8 Å²	149.8	75%	0.75	80%	0.8	S	S	*	*			trans	-139.7	53.8	164.7	-77.8	-74	0	0	0	112.6	T355	T355-H357 PolarHBondContact O-N 2.67Å
358	H	30.8	Very low	32.6	Very low	171 Å²	171	149.4 Å²	149.4	79%	0.792	80%	0.796	S	S	*	*			trans	-118.8	3.4	172.7	-93.5	-47.6	0	0	0	116
359	R	33.6	Very low	32.6	Very low	248 Å²	248	151.7 Å²	151.7	94%	0.936	80%	0.797	S	S	*	*	S	Bend	trans	-88.1	-8.9	175.1	-83.8	-172.2	167	104	0.1	115.4
360	A	33.4	Very low	32.8	Very low	88 Å²	88	154.1 Å²	154.1	73%	0.727	80%	0.8	S	S	*	*	S	Bend	trans	-95.7	-9.8	-177.3	0	0	0	0	0	115
361	A	33.3	Very low	32.6	Very low	72 Å²	72	155.9 Å²	155.9	60%	0.595	80%	0.803	S	S	*	*	S	Bend	trans	-92.1	-11.4	-173.1	0	0	0	0	0	115.1
362	L	33	Very low	32.6	Very low	156 Å²	156	153 Å²	153	82%	0.817	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-4.1	-177.2	-93.9	150.9	0	0	0	114.8
363	M	36.5	Very low	32.5	Very low	182 Å²	182	151.3 Å²	151.3	90%	0.897	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	6.4	178.4	-79.6	-105.4	176.5	0	0	114
364	K	33.6	Very low	32	Very low	183 Å²	183	150.5 Å²	150.5	80%	0.796	81%	0.805	S	S	*	*	S	Bend	trans	-111.7	3.5	-176.2	-128.8	-179.4	-176.1	-174.7	0	115.2
365	K	30	Very low	31.8	Very low	196 Å²	196	145.8 Å²	145.8	85%	0.852	80%	0.801	S	S	*	*	S	Bend	trans	-101.7	5.4	-177.3	-112.1	-172.3	178	-171.4	0	115.5
366	H	32.6	Very low	31.7	Very low	195 Å²	195	147.7 Å²	147.7	90%	0.903	80%	0.801	S	S	*	*	S	Bend	trans	-114.3	19.6	-177.2	-97.5	-68.1	0	0	0	115.5
367	S	29.7	Very low	31.3	Very low	110 Å²	110	148.7 Å²	148.7	77%	0.769	80%	0.797	S	S	*	*	S	Bend	trans	-124.5	20.4	176.9	62.9	0	0	0	0	114.5
368	A	32.9	Very low	30.8	Very low	89 Å²	89	150 Å²	150	74%	0.736	80%	0.801	S	S	*	*	S	Bend	trans	-140.6	65.5	179.1	0	0	0	0	0	110.7
369	E	32.2	Very low	30.5	Very low	191 Å²	191	146.8 Å²	146.8	89%	0.893	80%	0.797	S	S	*	*			trans	-170.5	88.1	160.6	-109.1	168.7	-145.2	0	0	107.3
370	I	34.3	Very low	30.2	Very low	161 Å²	161	141.6 Å²	141.6	83%	0.826	79%	0.793	S	S	*	*			trans	-179.6	94	150.4	-81.5	144.6	0	0	0	102.7
371	N	29.1	Very low	29.9	Very low	163 Å²	163	146 Å²	146	87%	0.872	80%	0.795	S	S	*	*			trans	178.6	84.5	147.6	-90.2	-7.6	0	0	0	108.6
372	S	29.8	Very low	29.4	Very low	114 Å²	114	150.7 Å²	150.7	80%	0.797	81%	0.805	S	S	*	*			trans	-146.9	102	152.7	66	0	0	0	0	108.4
373	S	27.7	Very low	29.1	Very low	125 Å²	125	148.1 Å²	148.1	87%	0.874	80%	0.8	S	S	*	*			trans	179	132.4	144.8	-75.9	0	0	0	0	110.2
374	S	28.1	Very low	28.6	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	80%	0.796	S	S	*	*			trans	102.1	86.5	163.1	-160.1	0	0	0	0	119.1
375	T	26.7	Very low	28.2	Very low	118 Å²	118	142.2 Å²	142.2	72%	0.724	79%	0.794	S	S	*	*				5.9	147.3	114.5	39.3	0	0	0	0	118
376	Q	28.2	Very low	28	Very low	161 Å²	161	139.8 Å²	139.8	75%	0.752	80%	0.796	S	S	*	*			cis	-177.3	159.3	-4	-165.3	-178	27	0	0	107.5
377	L	25.8	Very low	27.7	Very low	130 Å²	130	137.1 Å²	137.1	68%	0.681	79%	0.788	S	S	*	*			trans	75	137.8	171.2	-63.4	108.9	0	0	0	117.6
378	K	26	Very low	27.6	Very low	190 Å²	190	137.3 Å²	137.3	83%	0.826	79%	0.789	S	S	*	*			cis	-157.9	147.4	18.8	-122.3	158.8	-176.2	-179.9	0	111.4
379	S	24.6	Very low	27.3	Very low	103 Å²	103	141.6 Å²	141.6	72%	0.72	79%	0.794	S	S	*	*			trans	-39.2	143.8	170.3	174.7	0	0	0	0	117.9
380	V	27.1	Very low	27.2	Very low	140 Å²	140	139.1 Å²	139.1	85%	0.848	79%	0.792	S	S	*	*				-156.3	136.5	112.4	178.5	0	0	0	0	110.2
381	K	26.7	Very low	27	Very low	179 Å²	179	142.1 Å²	142.1	78%	0.778	79%	0.793	S	S	*	*			trans	-52.7	157.3	174.1	-75.1	169.7	166.3	178.7	0	112.7
382	E	24	Very low	27.2	Very low	172 Å²	172	144 Å²	144	80%	0.804	79%	0.793	S	S	*	*				-176	142.1	65.6	-143.1	155.7	-137.4	0	0	112.7
383	S	25.3	Very low	27	Very low	101 Å²	101	146.5 Å²	146.5	71%	0.706	79%	0.793	S	S	*	*			trans	45.9	130.1	150.3	67.4	0	0	0	0	120.7
384	V	27.2	Very low	27.2	Very low	135 Å²	135	149.1 Å²	149.1	82%	0.818	79%	0.791	S	S	*	*				-160.7	140.3	50.6	169.2	0	0	0	0	108.9
385	S	23.9	Very low	27.3	Very low	106 Å²	106	150.8 Å²	150.8	74%	0.741	79%	0.79	S	S	*	*			trans	-95.2	134.1	172.5	47.1	0	0	0	0	111.9
386	T	26.9	Very low	27.6	Very low	145 Å²	145	150.3 Å²	150.3	89%	0.89	79%	0.789	S	S	*	*			trans	-157.2	129.7	130.8	10.5	0	0	0	0	110.8
387	D	25	Very low	27.8	Very low	139 Å²	139	148.1 Å²	148.1	74%	0.743	79%	0.792	S	S	*	*			trans	-75.5	142.1	-176.5	-161	1	0	0	0	110.9
388	S	27.4	Very low	28.1	Very low	114 Å²	114	149.8 Å²	149.8	80%	0.797	80%	0.796	S	S	*	*			trans	-157.2	98.3	165.4	-74.7	0	0	0	0	109.7	T390	S388-T390 PolarHBondContact O-N 3.25Å
389	Q	28.4	Very low	28.8	Very low	180 Å²	180	146.5 Å²	146.5	84%	0.841	79%	0.794	S	S	*	*			trans	-40.3	110.2	170.5	-64	167	-4.9	0	0	112.8	R391	Q389-R391 VanDerWaalsContact C-N 3.33Å; Q389-R391 PolarHBondContact O-N 3.39Å
390	T	29.3	Very low	30.2	Very low	138 Å²	138	153.1 Å²	153.1	85%	0.847	80%	0.803	S	S	*	*			trans	-77.9	91.7	161.5	52.6	0	0	0	0	109	S388 K392	S388-T390 PolarHBondContact O-N 3.25Å; T390-K392 PolarHBondContact O-N 3.5Å
391	R	29.9	Very low	31.6	Very low	225 Å²	225	155.3 Å²	155.3	85%	0.849	80%	0.804	S	S	*	*			trans	-38.7	116.9	159.1	-166.6	177.5	-172.6	-176.7	1.7	109.2	Q389 E393	Q389-R391 VanDerWaalsContact C-N 3.33Å; Q389-R391 PolarHBondContact O-N 3.39Å; R391-E393 VanDerWaalsContact C-N 3.28Å; R391-E393 PolarHBondContact O-N 2.91Å
392	K	32.4	Very low	33.8	Very low	201 Å²	201	154 Å²	154	87%	0.874	80%	0.798	S	S	*	*			trans	-61.6	97.7	161.2	-93.7	177.2	176.9	168.3	0	106.9	T390 Q394	T390-K392 PolarHBondContact O-N 3.5Å; K392-Q394 PolarHBondContact O-N 3.24Å
393	E	26.4	Very low	36.6	Very low	167 Å²	167	149.9 Å²	149.9	78%	0.78	78%	0.782	S	S	*	*			trans	-67.8	99	169.7	-152	169.5	-157.7	0	0	107.4	R391 I395	R391-E393 VanDerWaalsContact C-N 3.28Å; R391-E393 PolarHBondContact O-N 2.91Å; E393-I395 VanDerWaalsContact C-N 3.28Å; E393-I395 PolarHBondContact O-N 3.16Å
394	Q	31.6	Very low	39.7	Very low	180 Å²	180	150.4 Å²	150.4	84%	0.841	77%	0.768	S	S	*	*			trans	-62.9	97.4	159.7	-80.1	176.9	-6.6	0	0	106.4	K392 P396	K392-Q394 PolarHBondContact O-N 3.24Å; Q394-P396 WeakPolarHBondContact O-CD 3.23Å
395	I	29.8	Very low	43	Very low	142 Å²	142	144.1 Å²	144.1	73%	0.728	73%	0.73	S	S	*	*			trans	-61.1	120.7	163	-59.1	170.7	0	0	0	105.8	E393 S397	E393-I395 VanDerWaalsContact C-N 3.28Å; E393-I395 PolarHBondContact O-N 3.16Å; I395-S397 PolarHBondContact O-N 3.46Å; I395-S397 VanDerWaalsContact O-N 3.07Å
396	P	32.9	Very low	46.4	Very low	108 Å²	108	140.3 Å²	140.3	70%	0.701	70%	0.7	S	S	*	*			trans	-58.9	116.8	168.6	-14.9	28.4	0	0	0	106.6	Q394 E398	Q394-P396 WeakPolarHBondContact O-CD 3.23Å; P396-E398 PolarHBondContact O-N 3.4Å
397	S	34.1	Very low	49.7	Very low	116 Å²	116	133.6 Å²	133.6	81%	0.811	66%	0.658	S	S	*	*			trans	-67.9	90.6	169.5	58.5	0	0	0	0	107.2	I395	I395-S397 PolarHBondContact O-N 3.46Å; I395-S397 VanDerWaalsContact O-N 3.07Å
398	E	31.6	Very low	53.2	Low	165 Å²	165	128.1 Å²	128.1	77%	0.771	63%	0.628	S	S	*	*			trans	-48	139.9	162.4	-71.9	-174.1	154.8	0	0	108.2	P396 R400	P396-E398 PolarHBondContact O-N 3.4Å; E398-R400 PolarHBondContact O-N 3.07Å
399	P	39.4	Very low	56.5	Low	121 Å²	121	124.3 Å²	124.3	79%	0.786	60%	0.597	S	S	*	*			trans	-59.9	105.2	174.4	25.3	-31	0	0	0	107	Q401	P399-Q401 PolarHBondContact O-N 3.29Å
400	R	54.7	Low	59.7	Low	241 Å²	241	117 Å²	117	91%	0.909	56%	0.564	S	S	*	*			trans	-47.3	112.4	172.5	-91.1	-178.5	167.7	161.1	-1.3	106.7	E398 K402	E398-R400 PolarHBondContact O-N 3.07Å; R400-K402 PolarHBondContact O-N 2.99Å
401	Q	57.7	Low	62.8	Low	187 Å²	187	112.6 Å²	112.6	87%	0.874	53%	0.532	S	S	*	.			trans	-49.1	118.9	176.7	-72.2	-177.1	-8.3	0	0	107.5	P399 L403	P399-Q401 PolarHBondContact O-N 3.29Å; Q401-L403 PolarHBondContact O-N 2.84Å
402	K	71.6	Confident	65.5	Low	150 Å²	150	106.4 Å²	106.4	65%	0.652	52%	0.516	S	S	*	.			trans	-65.5	101.9	-176.5	-173.2	172.9	177.3	-176	0	107.3	R400 R404 D424	R400-K402 PolarHBondContact O-N 2.99Å; K402-R404 PolarHBondContact O-N 3.3Å; K402-R404 VanDerWaalsContact O-N 3.1Å; K402-D424 WeakPolarHBondContact CE-OD2 3.46Å; K402-D424 WeakPolarHBondContact CG-OD2 2.81Å
403	L	83	Confident	68.1	Low	87 Å²	87	104 Å²	104	46%	0.455	51%	0.513	S	S	.	.			trans	-57.6	110	178.3	-82.5	161.1	0	0	0	108.7	Q401 D424	Q401-L403 PolarHBondContact O-N 2.84Å; L403-D424 WeakPolarHBondContact O-CB 3.29Å; L403-D424 VanDerWaalsContact O-OD1 3.07Å
404	R	91.3	Very high	71	Confident	112 Å²	112	100.6 Å²	100.6	42%	0.423	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	129.5	177.2	-62.6	-176.6	-175	-147.6	6.6	110.1	K402 F406 E420 K460 G461 A462	K402-R404 PolarHBondContact O-N 3.3Å; K402-R404 VanDerWaalsContact O-N 3.1Å; R404-F406 HydrophobicContact CB-CE2 3.86Å; R404-F406 HydrophobicContact CB-CZ 3.94Å; R404-E420 VanDerWaalsContact CD-OE1 3.31Å; R404-E420 WeakPolarHBondContact CD-OE1 3.49Å; R404-E420 IonicContact NE-OE1 3.88Å; R404-E420 IonicContact NH1-OE1 3.55Å; R404-E420 IonicContact NH1-OE2 3.97Å; R404-K460 PolarHBondContact N-O 3.3Å; R404-G461 WeakPolarHBondContact O-CA 3.24Å; R404-A462 PolarHBondContact O-N 2.95Å
405	I	95.4	Very high	73.8	Confident	2 Å²	2	95.4 Å²	95.4	1%	0.01	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.8	177	-54.1	-177.5	0	0	0	109.3	Y407 A421 L425 L437 L440 A462 I464	I405-Y407 HydrophobicContact CG2-CD2 4.41Å; I405-Y407 HydrophobicContact CG2-CE2 3.82Å; I405-A421 HydrophobicContact CB-CB 4.12Å; I405-A421 PolarHBondContact O-N 2.94Å; I405-L425 HydrophobicContact CD1-CD2 3.88Å; I405-L425 HydrophobicContact CD1-CG 4.31Å; I405-L437 HydrophobicContact CD1-CD1 4.46Å; I405-L440 HydrophobicContact CD1-CD2 3.73Å; I405-A462 WeakPolarHBondContact CA-O 2.89Å; I405-I464 HydrophobicContact CG2-CD1 3.88Å; I405-I464 HydrophobicContact CG2-CG1 4.4Å
406	F	95.8	Very high	76.7	Confident	27 Å²	27	92.5 Å²	92.5	12%	0.118	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.8	176.3	-58.1	-78.9	0	0	0	110.2	R404 T419 E420 H458 A462 R463 I464	R404-F406 HydrophobicContact CB-CE2 3.86Å; R404-F406 HydrophobicContact CB-CZ 3.94Å; F406-T419 CarbonylContact C-O 3.48Å; F406-T419 WeakPolarHBondContact CA-O 3.29Å; F406-E420 HydrophobicContact CD1-CB 4.06Å; F406-E420 HydrophobicContact CD1-CG 4.17Å; F406-E420 HydrophobicContact CE1-CB 4.1Å; F406-E420 HydrophobicContact CE1-CG 3.91Å; F406-H458 AromaticContact CE2-CE1 3.72Å; F406-H458 AromaticContact CE2-ND1 3.78Å; F406-A462 PolarHBondContact N-O 3.5Å; F406-R463 HydrophobicContact CB-CG 4.2Å; F406-R463 CarbonylContact O-C 3.59Å; F406-R463 WeakPolarHBondContact O-CA 3.37Å; F406-I464 PolarHBondContact O-N 3.39Å
407	Y	97.1	Very high	79.6	Confident	4 Å²	4	91.7 Å²	91.7	2%	0.016	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.3	171.2	-69.4	-83.5	0	0	0	109.2	I405 T419 A421 P428 W429 L444 I464 V466	I405-Y407 HydrophobicContact CG2-CD2 4.41Å; I405-Y407 HydrophobicContact CG2-CE2 3.82Å; Y407-T419 PolarHBondContact N-O 3.31Å; Y407-T419 PolarHBondContact O-N 2.91Å; Y407-T419 PolarHBondContact O-OG1 3.45Å; Y407-A421 HydrophobicContact CE2-CB 4.08Å; Y407-P428 HydrophobicContact CD2-CG 4.12Å; Y407-P428 HydrophobicContact CE1-CG 4.18Å; Y407-P428 HydrophobicContact CE2-CG 3.43Å; Y407-P428 VanDerWaalsContact CE2-CG 3.43Å; Y407-P428 VanDerWaalsContact CZ-CG 3.48Å; Y407-P428 WeakPolarHBondContact OH-CD 3.48Å; Y407-W429 HydrophobicContact CD1-CH2 4.31Å; Y407-W429 HydrophobicContact CE1-CH2 4.27Å; Y407-W429 HydrophobicContact CE1-CZ3 4.14Å; Y407-L444 HydrophobicContact CE1-CD1 4.07Å; Y407-I464 WeakPolarHBondContact CA-O 3.4Å; Y407-I464 HydrophobicContact CD1-CB 3.97Å; Y407-I464 HydrophobicContact CD1-CG2 4.23Å; Y407-I464 HydrophobicContact CE1-CB 4.03Å; Y407-I464 HydrophobicContact CE1-CD1 3.79Å; Y407-I464 HydrophobicContact CE1-CG1 4.47Å; Y407-I464 HydrophobicContact CE1-CG2 4.16Å; Y407-V466 HydrophobicContact CD1-CG2 3.86Å
408	Q	97.3	Very high	82.4	Confident	24 Å²	24	91.3 Å²	91.3	11%	0.112	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	108.6	-179.5	-173.9	171.3	-22.4	0	0	108.8	L410 T415 I464 D465 V466	Q408-L410 HydrophobicContact CG-CD2 4.13Å; Q408-T415 HydrophobicContact CG-CG2 3.51Å; Q408-T415 PolarHBondContact NE2-OG1 3.34Å; Q408-I464 PolarHBondContact N-O 3.07Å; Q408-D465 WeakPolarHBondContact CB-OD1 3.46Å; Q408-D465 CarbonylContact O-C 3.58Å; Q408-D465 WeakPolarHBondContact O-CA 3.36Å; Q408-D465 PolarHBondContact OE1-OD1 3.47Å; Q408-V466 PolarHBondContact O-N 2.96Å
409	F	97.4	Very high	85.5	Confident	33 Å²	33	86.1 Å²	86.1	15%	0.145	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	118.2	-177.6	-65.5	-96.3	0	0	0	109.6	F48 F52 R416 Q417 T419 W429 V466	F48-F409 HydrophobicContact CE2-CB 3.99Å; F48-F409 HydrophobicContact CZ-CB 4.05Å; F52-F409 AromaticContact CD1-CD1 3.59Å; F52-F409 HydrophobicContact CD1-CD1 3.59Å; F52-F409 HydrophobicContact CD1-CE1 4.04Å; F52-F409 AromaticContact CE1-CD1 3.53Å; F52-F409 HydrophobicContact CE1-CD1 3.53Å; F52-F409 HydrophobicContact CE1-CE1 4.25Å; F52-F409 HydrophobicContact CG-CD1 4.31Å; F52-F409 HydrophobicContact CZ-CB 4.4Å; F52-F409 HydrophobicContact CZ-CD1 4.19Å; F409-R416 PolarHBondContact O-N 3.45Å; F409-Q417 HydrophobicContact CB-CB 4.19Å; F409-Q417 HydrophobicContact CD2-CB 4.39Å; F409-Q417 HydrophobicContact CD2-CG 4.41Å; F409-Q417 PolarHBondContact N-O 2.81Å; F409-Q417 PolarHBondContact O-N 2.87Å; F409-T419 HydrophobicContact CE2-CG2 4.3Å; F409-W429 HydrophobicContact CE1-CZ2 4.24Å; F409-W429 HydrophobicContact CZ-CZ2 4.45Å; F409-V466 WeakPolarHBondContact CA-O 3.16Å; F409-V466 HydrophobicContact CD1-CB 4.12Å; F409-V466 HydrophobicContact CD1-CG1 4.35Å; F409-V466 HydrophobicContact CE1-CB 4.29Å; F409-V466 HydrophobicContact CE1-CG1 4.28Å; F409-V466 HydrophobicContact CE1-CG2 4.5Å
410	L	95.3	Very high	88.1	Confident	26 Å²	26	84.8 Å²	84.8	14%	0.136	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	134.7	-178	-56.9	179.9	0	0	0	110.3	F52 Q408 N414 T415 D465 V466	F52-L410 WeakPolarHBondContact CZ-O 3.43Å; Q408-L410 HydrophobicContact CG-CD2 4.13Å; L410-N414 CarbonylContact C-O 3.54Å; L410-N414 VanDerWaalsContact CA-O 3.3Å; L410-N414 WeakPolarHBondContact CA-O 3.49Å; L410-T415 WeakPolarHBondContact CD2-OG1 3.33Å; L410-D465 HydrophobicContact CD1-CB 3.82Å; L410-D465 HydrophobicContact CG-CB 4.34Å; L410-V466 PolarHBondContact N-O 3.45Å
411	Y	93.4	Very high	89.9	Confident	47 Å²	47	74.1 Å²	74.1	18%	0.184	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	127.6	172.5	-172	-107.2	0	0	0	109.5	L47 F48 A51 F52 N413 N414	L47-Y411 HydrophobicContact CB-CE1 4.43Å; F48-Y411 HydrophobicContact CB-CD1 3.99Å; F48-Y411 HydrophobicContact CB-CE1 4.47Å; F48-Y411 HydrophobicContact CB-CG 4.12Å; F48-Y411 HydrophobicContact CD2-CG 4.14Å; A51-Y411 HydrophobicContact CB-CD2 4.31Å; A51-Y411 HydrophobicContact CB-CE2 3.83Å; F52-Y411 HydrophobicContact CE2-CD2 4.47Å; Y411-N413 VanDerWaalsContact C-N 3.25Å; Y411-N413 PolarHBondContact O-N 3.06Å; Y411-N414 PolarHBondContact N-O 3.46Å; Y411-N414 PolarHBondContact O-N 3.11Å; Y411-N414 VanDerWaalsContact O-N 3.13Å
412	N	88.3	Confident	91.2	Very high	95 Å²	95	75.9 Å²	75.9	51%	0.508	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	43.9	-167.3	-58.6	-20.8	0	0	0	112	N414	N412-N414 PolarHBondContact O-N 3.06Å; N412-N414 PolarHBondContact O-ND2 2.8Å
413	N	85.1	Confident	91.7	Very high	151 Å²	151	74.1 Å²	74.1	81%	0.807	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	8.1	-175.6	-62.4	-26.5	0	0	0	116	Y411	Y411-N413 VanDerWaalsContact C-N 3.25Å; Y411-N413 PolarHBondContact O-N 3.06Å
414	N	88.4	Confident	91.6	Very high	95 Å²	95	71.2 Å²	71.2	51%	0.508	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	144.6	176.6	-69.4	-43.9	0	0	0	110.7	L410 Y411 N412 R416	L410-N414 CarbonylContact C-O 3.54Å; L410-N414 VanDerWaalsContact CA-O 3.3Å; L410-N414 WeakPolarHBondContact CA-O 3.49Å; Y411-N414 PolarHBondContact N-O 3.46Å; Y411-N414 PolarHBondContact O-N 3.11Å; Y411-N414 VanDerWaalsContact O-N 3.13Å; N412-N414 PolarHBondContact O-N 3.06Å; N412-N414 PolarHBondContact O-ND2 2.8Å; N414-R416 PolarHBondContact O-N 2.76Å
415	T	89.8	Confident	91.7	Very high	71 Å²	71	67.2 Å²	67.2	44%	0.436	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	119.1	175.3	-55.8	0	0	0	0	109.9	Q408 L410	Q408-T415 HydrophobicContact CG-CG2 3.51Å; Q408-T415 PolarHBondContact NE2-OG1 3.34Å; L410-T415 WeakPolarHBondContact CD2-OG1 3.33Å
416	R	91.1	Very high	91.8	Very high	80 Å²	80	70 Å²	70	30%	0.302	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-37.2	179.8	-59.4	-53.1	-176.4	139.4	9.4	112.7	D44 F48 F409 N414	D44-R416 IonicContact OD1-NH2 2.8Å; D44-R416 IonicContact OD2-CZ 3.53Å; D44-R416 IonicContact OD2-NH1 2.89Å; D44-R416 PolarHBondContact OD2-NH1 2.87Å; D44-R416 IonicContact OD2-NH2 3.54Å; D44-R416 PolarHBondContact OD2-NH2 2.96Å; F48-R416 HydrophobicContact CD1-CB 4.06Å; F48-R416 HydrophobicContact CD2-CB 3.85Å; F48-R416 HydrophobicContact CD2-CG 4Å; F48-R416 HydrophobicContact CE1-CB 3.96Å; F48-R416 HydrophobicContact CE2-CB 3.74Å; F48-R416 HydrophobicContact CE2-CG 4.32Å; F48-R416 HydrophobicContact CG-CB 4Å; F48-R416 HydrophobicContact CG-CG 4.16Å; F48-R416 HydrophobicContact CZ-CB 3.8Å; F409-R416 PolarHBondContact O-N 3.45Å; N414-R416 PolarHBondContact O-N 2.76Å
417	Q	93.6	Very high	91.8	Very high	91 Å²	91	68.8 Å²	68.8	43%	0.425	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	135.4	-180	-179.5	67.5	58.5	0	0	110.2	F48 F409 T419	F48-Q417 HydrophobicContact CE1-CB 4.2Å; F48-Q417 HydrophobicContact CZ-CB 3.81Å; F409-Q417 HydrophobicContact CB-CB 4.19Å; F409-Q417 HydrophobicContact CD2-CB 4.39Å; F409-Q417 HydrophobicContact CD2-CG 4.41Å; F409-Q417 PolarHBondContact N-O 2.81Å; F409-Q417 PolarHBondContact O-N 2.87Å; Q417-T419 HydrophobicContact CG-CG2 3.88Å
418	Q	94.3	Very high	91.8	Very high	109 Å²	109	70.7 Å²	70.7	51%	0.509	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	136.9	169.3	-171.6	174.8	-20.3	0	0	109.1
419	T	95.5	Very high	91.8	Very high	56 Å²	56	69.9 Å²	69.9	34%	0.344	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.7	177.3	65.3	0	0	0	0	110.5	F406 Y407 F409 Q417	F406-T419 CarbonylContact C-O 3.48Å; F406-T419 WeakPolarHBondContact CA-O 3.29Å; Y407-T419 PolarHBondContact N-O 3.31Å; Y407-T419 PolarHBondContact O-N 2.91Å; Y407-T419 PolarHBondContact O-OG1 3.45Å; F409-T419 HydrophobicContact CE2-CG2 4.3Å; Q417-T419 HydrophobicContact CG-CG2 3.88Å
420	E	94.7	Very high	91.8	Very high	92 Å²	92	69.4 Å²	69.4	43%	0.43	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.2	172.9	-175.5	174.9	173.9	0	0	108.7	R404 F406 R422	R404-E420 VanDerWaalsContact CD-OE1 3.31Å; R404-E420 WeakPolarHBondContact CD-OE1 3.49Å; R404-E420 IonicContact NE-OE1 3.88Å; R404-E420 IonicContact NH1-OE1 3.55Å; R404-E420 IonicContact NH1-OE2 3.97Å; F406-E420 HydrophobicContact CD1-CB 4.06Å; F406-E420 HydrophobicContact CD1-CG 4.17Å; F406-E420 HydrophobicContact CE1-CB 4.1Å; F406-E420 HydrophobicContact CE1-CG 3.91Å; E420-R422 PolarHBondContact O-N 2.85Å
421	A	92.1	Very high	91.9	Very high	17 Å²	17	71 Å²	71	14%	0.14	36%	0.355	C	S	.	.			trans	-64.5	133.1	175.2	0	0	0	0	0	110.2	I405 Y407	I405-A421 HydrophobicContact CB-CB 4.12Å; I405-A421 PolarHBondContact O-N 2.94Å; Y407-A421 HydrophobicContact CE2-CB 4.08Å
422	R	84.9	Confident	92	Very high	224 Å²	224	69.6 Å²	69.6	85%	0.845	35%	0.351	S	S	*	.	S	Bend	trans	-73.7	-47.6	173.8	-67.7	-172.4	177.1	-175.5	-0.7	111.7	E420	E420-R422 PolarHBondContact O-N 2.85Å
423	D	81.6	Confident	92.4	Very high	113 Å²	113	67.9 Å²	67.9	60%	0.604	34%	0.341	S	S	*	.	S	Bend	trans	-106.3	95.8	177.5	-64.5	-46.9	0	0	0	109.3	L425 H426	D423-L425 PolarHBondContact O-N 2.83Å; D423-H426 HydrophobicContact CB-CB 4.12Å; D423-H426 WeakPolarHBondContact O-CB 3.26Å; D423-H426 PolarHBondContact O-N 2.83Å; D423-H426 VanDerWaalsContact O-N 3.16Å
424	D	82.1	Confident	92.9	Very high	26 Å²	26	60.7 Å²	60.7	14%	0.139	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	142.1	-179.2	-52.8	-54.1	0	0	0	110.6	K402 L403 H426	K402-D424 WeakPolarHBondContact CE-OD2 3.46Å; K402-D424 WeakPolarHBondContact CG-OD2 2.81Å; L403-D424 WeakPolarHBondContact O-CB 3.29Å; L403-D424 VanDerWaalsContact O-OD1 3.07Å; D424-H426 PolarHBondContact O-N 2.97Å; D424-H426 PolarHBondContact O-ND1 2.82Å
425	L	93.3	Very high	93.1	Very high	29 Å²	29	58.8 Å²	58.8	15%	0.152	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	8	-177	-53.1	170.7	0	0	0	116.2	I405 D423 C434 L437	I405-L425 HydrophobicContact CD1-CD2 3.88Å; I405-L425 HydrophobicContact CD1-CG 4.31Å; D423-L425 PolarHBondContact O-N 2.83Å; L425-C434 WeakPolarHBondContact O-CB 3.4Å; L425-C434 PolarHBondContact O-N 3.26Å; L425-L437 HydrophobicContact CD2-CB 4.1Å
426	H	96	Very high	93.3	Very high	59 Å²	59	60.9 Å²	60.9	27%	0.273	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-94.1	138.9	165.6	-68.2	70.7	0	0	0	110.6	D423 D424 P428 L432 N433	D423-H426 HydrophobicContact CB-CB 4.12Å; D423-H426 WeakPolarHBondContact O-CB 3.26Å; D423-H426 PolarHBondContact O-N 2.83Å; D423-H426 VanDerWaalsContact O-N 3.16Å; D424-H426 PolarHBondContact O-N 2.97Å; D424-H426 PolarHBondContact O-ND1 2.82Å; H426-P428 WeakPolarHBondContact O-CD 3.28Å; H426-L432 WeakPolarHBondContact CA-O 3.38Å; H426-N433 PolarHBondContact CE1-ND2 2.81Å; H426-N433 VanDerWaalsContact NE2-CB 3.31Å; H426-N433 WeakPolarHBondContact NE2-CB 3.48Å; H426-N433 PolarHBondContact NE2-ND2 3.01Å
427	C	97.1	Very high	93.5	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.014	29%	0.292	C	S	.	.			trans	-67.2	124.2	173.7	177.5	0	0	0	0	110.8	W429 T431 L432 L440 H443 H448	C427-W429 PolarHBondContact O-N 2.83Å; C427-T431 WeakPolarHBondContact O-CA 3.45Å; C427-T431 PolarHBondContact O-N 3.5Å; C427-L432 HydrophobicContact CB-CB 4.4Å; C427-L432 PolarHBondContact N-O 2.81Å; C427-L440 HydrophobicContact CB-CD1 4.32Å; C427-H443 PolarHBondContact SG-NE2 3.04Å; C427-H443 VanDerWaalsContact SG-NE2 3.38Å; C427-H448 PolarHBondContact SG-NE2 2.77Å
428	P	96.8	Very high	93.6	Very high	44 Å²	44	55.8 Å²	55.8	29%	0.286	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.1	-180	-24.5	33.8	0	0	0	114.4	R60 Y407 H426	R60-P428 PolarHBondContact NH2-O 2.94Å; Y407-P428 HydrophobicContact CD2-CG 4.12Å; Y407-P428 HydrophobicContact CE1-CG 4.18Å; Y407-P428 HydrophobicContact CE2-CG 3.43Å; Y407-P428 VanDerWaalsContact CE2-CG 3.43Å; Y407-P428 VanDerWaalsContact CZ-CG 3.48Å; Y407-P428 WeakPolarHBondContact OH-CD 3.48Å; H426-P428 WeakPolarHBondContact O-CD 3.28Å
429	W	97.5	Very high	93.7	Very high	8 Å²	8	50.7 Å²	50.7	3%	0.03	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-44.3	-176.4	-66	-89.6	0	0	0	113	R60 Y407 F409 C427 L444 F451 F453 V466	R60-W429 WeakPolarHBondContact CD-O 3.34Å; R60-W429 PolarHBondContact NE-O 3.1Å; Y407-W429 HydrophobicContact CD1-CH2 4.31Å; Y407-W429 HydrophobicContact CE1-CH2 4.27Å; Y407-W429 HydrophobicContact CE1-CZ3 4.14Å; F409-W429 HydrophobicContact CE1-CZ2 4.24Å; F409-W429 HydrophobicContact CZ-CZ2 4.45Å; C427-W429 PolarHBondContact O-N 2.83Å; W429-L444 HydrophobicContact CE3-CD2 3.63Å; W429-L444 HydrophobicContact CZ3-CD2 3.43Å; W429-L444 VanDerWaalsContact CZ3-CD2 3.43Å; W429-F451 AromaticContact CE2-CE2 3.83Å; W429-F451 HydrophobicContact CZ2-CD2 4.25Å; W429-F451 HydrophobicContact CZ2-CE2 4.15Å; W429-F451 AromaticContact NE1-CE2 3.39Å; W429-F453 AromaticContact CH2-CE1 3.53Å; W429-F453 HydrophobicContact CH2-CE1 3.53Å; W429-F453 HydrophobicContact CH2-CZ 4.09Å; W429-F453 HydrophobicContact CZ2-CE1 4.29Å; W429-F453 AromaticContact CZ3-CE1 3.73Å; W429-F453 HydrophobicContact CZ3-CE1 3.73Å; W429-F453 HydrophobicContact CZ3-CZ 4.11Å; W429-V466 HydrophobicContact CH2-CG1 4.38Å; W429-V466 HydrophobicContact CH2-CG2 4.3Å; W429-V466 HydrophobicContact CZ2-CG1 4.33Å
430	C	97	Very high	93.7	Very high	22 Å²	22	48 Å²	48	15%	0.149	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-0.3	-174.5	73.4	0	0	0	0	114.9	R63 L432 H443	R63-C430 HydrophobicContact CB-CB 4.15Å; R63-C430 HydrophobicContact CG-CB 4.27Å; R63-C430 WeakPolarHBondContact CG-O 3.48Å; R63-C430 PolarHBondContact NE-O 2.81Å; C430-L432 PolarHBondContact O-N 2.87Å; C430-L432 VanDerWaalsContact O-N 3.15Å; C430-L432 WeakPolarHBondContact SG-CB 3.3Å; C430-H443 PolarHBondContact SG-NE2 3.45Å
431	T	96.9	Very high	93.8	Very high	60 Å²	60	43.8 Å²	43.8	37%	0.368	22%	0.219	S	C	.	.			trans	56.6	23	-177.3	74.1	0	0	0	0	114.6	R63 C427 N433	R63-T431 VanDerWaalsContact CZ-OG1 3.28Å; R63-T431 PolarHBondContact NE-OG1 3.42Å; R63-T431 PolarHBondContact NH2-OG1 3.14Å; C427-T431 WeakPolarHBondContact O-CA 3.45Å; C427-T431 PolarHBondContact O-N 3.5Å; T431-N433 PolarHBondContact O-N 3.42Å
432	L	97.1	Very high	94	Very high	18 Å²	18	45.5 Å²	45.5	9%	0.094	22%	0.224	C	C	.	.			trans	-71.1	120.7	173.9	-178.7	67.2	0	0	0	109.6	M80 H426 C427 C430 C434	M80-L432 HydrophobicContact CE-CD2 4.09Å; H426-L432 WeakPolarHBondContact CA-O 3.38Å; C427-L432 HydrophobicContact CB-CB 4.4Å; C427-L432 PolarHBondContact N-O 2.81Å; C430-L432 PolarHBondContact O-N 2.87Å; C430-L432 VanDerWaalsContact O-N 3.15Å; C430-L432 WeakPolarHBondContact SG-CB 3.3Å; L432-C434 PolarHBondContact O-N 3.35Å; L432-C434 PolarHBondContact O-SG 3.4Å; L432-C434 VanDerWaalsContact O-SG 3.4Å
433	N	96.1	Very high	94.6	Very high	58 Å²	58	35 Å²	35	31%	0.31	18%	0.184	S	C	.	.	B	Isolated β-bridge	trans	-69.3	110.3	170.4	-174.7	-28.9	0	0	0	109.8	R83 H426 T431 S435	R83-N433 PolarHBondContact NH1-O 2.7Å; H426-N433 PolarHBondContact CE1-ND2 2.81Å; H426-N433 VanDerWaalsContact NE2-CB 3.31Å; H426-N433 WeakPolarHBondContact NE2-CB 3.48Å; H426-N433 PolarHBondContact NE2-ND2 3.01Å; T431-N433 PolarHBondContact O-N 3.42Å; N433-S435 WeakPolarHBondContact OD1-CA 3.17Å; N433-S435 PolarHBondContact OD1-N 2.93Å; N433-S435 PolarHBondContact OD1-OG 3.13Å
434	C	95.8	Very high	95.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.			trans	-89.2	-13.8	-178.2	-59.9	0	0	0	0	112.8	M80 H82 L425 L432 K436 S439 L440	M80-C434 HydrophobicContact CE-CB 3.85Å; H82-C434 PolarHBondContact CE1-O 3.48Å; H82-C434 PolarHBondContact NE2-O 3.32Å; L425-C434 WeakPolarHBondContact O-CB 3.4Å; L425-C434 PolarHBondContact O-N 3.26Å; L432-C434 PolarHBondContact O-N 3.35Å; L432-C434 PolarHBondContact O-SG 3.4Å; L432-C434 VanDerWaalsContact O-SG 3.4Å; C434-K436 PolarHBondContact O-N 3.46Å; C434-S439 WeakPolarHBondContact O-CB 3.06Å; C434-L440 HydrophobicContact CB-CB 3.77Å; C434-L440 HydrophobicContact CB-CD1 4.23Å
435	S	92.8	Very high	96	Very high	56 Å²	56	31 Å²	31	39%	0.392	16%	0.16	S	C	.	.	S	Bend	trans	56.4	-17.1	178.1	-51	0	0	0	0	117.4	H82 N433	H82-S435 WeakPolarHBondContact NE2-CB 3.39Å; N433-S435 WeakPolarHBondContact OD1-CA 3.17Å; N433-S435 PolarHBondContact OD1-N 2.93Å; N433-S435 PolarHBondContact OD1-OG 3.13Å
436	K	94.1	Very high	96.1	Very high	114 Å²	114	35 Å²	35	50%	0.496	18%	0.181	S	C	.	.	S	Bend	trans	-138.4	144.5	176.6	-58.8	-175.8	179.7	-172.5	0	109.3	C434 Y438 S439 L440	C434-K436 PolarHBondContact O-N 3.46Å; K436-Y438 PolarHBondContact O-N 3.26Å; K436-S439 WeakPolarHBondContact O-CB 3.38Å; K436-S439 PolarHBondContact O-N 2.64Å; K436-L440 PolarHBondContact O-N 3.21Å
437	L	94.4	Very high	96.2	Very high	25 Å²	25	34 Å²	34	13%	0.131	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-44.6	179.6	-179.9	60.3	0	0	0	111.9	I405 L425 S439 L440 L441 Y455 A462 L517	I405-L437 HydrophobicContact CD1-CD1 4.46Å; L425-L437 HydrophobicContact CD2-CB 4.1Å; L437-S439 VanDerWaalsContact C-N 3.29Å; L437-S439 PolarHBondContact O-N 3.43Å; L437-L440 HydrophobicContact CD1-CD2 4.39Å; L437-L440 WeakPolarHBondContact O-CB 3.37Å; L437-L440 PolarHBondContact O-N 2.8Å; L437-L440 VanDerWaalsContact O-N 3.08Å; L437-L441 HydrophobicContact CD1-CD1 4.33Å; L437-L441 HydrophobicContact CD1-CG 4.22Å; L437-L441 HydrophobicContact CG-CD1 4.12Å; L437-L441 HydrophobicContact CG-CG 4.44Å; L437-L441 WeakPolarHBondContact O-CG 3.29Å; L437-L441 PolarHBondContact O-N 3.44Å; L437-Y455 HydrophobicContact CD2-CE2 3.98Å; L437-A462 HydrophobicContact CD1-CB 3.99Å; L437-A462 HydrophobicContact CD2-CB 3.89Å; L437-L517 HydrophobicContact CD2-CD1 4.15Å; L437-L517 HydrophobicContact CD2-CD2 4.47Å; L437-L517 HydrophobicContact CG-CD2 4.33Å
438	Y	95.1	Very high	96.2	Very high	40 Å²	40	34.1 Å²	34.1	16%	0.157	18%	0.181	C	C	.	.	H	α-helix	trans	-51.6	-47.5	173.4	173.4	-89.1	0	0	0	112.3	F79 K436 L440 L441 K442 P515 S516 E519 F520	F79-Y438 HydrophobicContact CB-CD1 4.29Å; F79-Y438 HydrophobicContact CB-CE1 3.65Å; K436-Y438 PolarHBondContact O-N 3.26Å; Y438-L440 VanDerWaalsContact C-N 3.34Å; Y438-L440 PolarHBondContact O-N 3.37Å; Y438-L441 PolarHBondContact O-N 3.34Å; Y438-K442 HydrophobicContact CE1-CG 4.08Å; Y438-K442 PolarHBondContact O-N 2.74Å; Y438-P515 HydrophobicContact CD1-CB 3.88Å; Y438-P515 HydrophobicContact CD1-CG 4.47Å; Y438-P515 HydrophobicContact CD2-CB 3.85Å; Y438-P515 HydrophobicContact CE1-CB 3.64Å; Y438-P515 HydrophobicContact CE1-CG 3.94Å; Y438-P515 HydrophobicContact CE2-CB 3.6Å; Y438-P515 HydrophobicContact CG-CB 4Å; Y438-S516 WeakPolarHBondContact CD2-O 3.18Å; Y438-E519 WeakPolarHBondContact CE2-OE1 3.28Å; Y438-F520 AromaticContact CD2-CE2 3.69Å; Y438-F520 HydrophobicContact CD2-CE2 3.69Å; Y438-F520 HydrophobicContact CD2-CZ 4.12Å; Y438-F520 HydrophobicContact CE2-CE2 4.12Å; Y438-F520 HydrophobicContact CE2-CZ 4.26Å; Y438-F520 HydrophobicContact CG-CE2 4.47Å
439	S	96.2	Very high	96.1	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-66.8	-36.2	179.8	-57.3	0	0	0	0	112.2	F79 M80 C434 K436 L437 H443	F79-S439 VanDerWaalsContact O-CB 3.29Å; F79-S439 WeakPolarHBondContact O-CB 3.47Å; F79-S439 PolarHBondContact O-OG 2.95Å; M80-S439 WeakPolarHBondContact CE-O 3.46Å; C434-S439 WeakPolarHBondContact O-CB 3.06Å; K436-S439 WeakPolarHBondContact O-CB 3.38Å; K436-S439 PolarHBondContact O-N 2.64Å; L437-S439 VanDerWaalsContact C-N 3.29Å; L437-S439 PolarHBondContact O-N 3.43Å; S439-H443 WeakPolarHBondContact O-CB 3.42Å; S439-H443 PolarHBondContact O-N 3.3Å
440	L	96.6	Very high	96	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-49.3	174.2	178.3	66.5	0	0	0	110.7	I405 C427 C434 K436 L437 Y438 H443 L444 I464	I405-L440 HydrophobicContact CD1-CD2 3.73Å; C427-L440 HydrophobicContact CB-CD1 4.32Å; C434-L440 HydrophobicContact CB-CB 3.77Å; C434-L440 HydrophobicContact CB-CD1 4.23Å; K436-L440 PolarHBondContact O-N 3.21Å; L437-L440 HydrophobicContact CD1-CD2 4.39Å; L437-L440 WeakPolarHBondContact O-CB 3.37Å; L437-L440 PolarHBondContact O-N 2.8Å; L437-L440 VanDerWaalsContact O-N 3.08Å; Y438-L440 VanDerWaalsContact C-N 3.34Å; Y438-L440 PolarHBondContact O-N 3.37Å; L440-H443 WeakPolarHBondContact O-CB 3.31Å; L440-H443 PolarHBondContact O-N 3.22Å; L440-H443 VanDerWaalsContact O-N 3.15Å; L440-L444 HydrophobicContact CD1-CD1 4.19Å; L440-L444 HydrophobicContact CD1-CG 4.15Å; L440-L444 HydrophobicContact CG-CD1 3.99Å; L440-L444 HydrophobicContact CG-CG 4.32Å; L440-L444 VanDerWaalsContact O-CG 3.29Å; L440-L444 WeakPolarHBondContact O-CG 3.43Å; L440-L444 PolarHBondContact O-N 3.31Å; L440-I464 HydrophobicContact CD2-CD1 4.41Å
441	L	96.6	Very high	96	Very high	2 Å²	2	36 Å²	36	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-47.1	-179.1	-68.8	172.4	0	0	0	112	L437 Y438 H443 L444 K445 Y455 I464 L517 F520	L437-L441 HydrophobicContact CD1-CD1 4.33Å; L437-L441 HydrophobicContact CD1-CG 4.22Å; L437-L441 HydrophobicContact CG-CD1 4.12Å; L437-L441 HydrophobicContact CG-CG 4.44Å; L437-L441 WeakPolarHBondContact O-CG 3.29Å; L437-L441 PolarHBondContact O-N 3.44Å; Y438-L441 PolarHBondContact O-N 3.34Å; L441-H443 VanDerWaalsContact C-N 3.31Å; L441-H443 PolarHBondContact O-N 3.21Å; L441-L444 PolarHBondContact O-N 3.11Å; L441-K445 PolarHBondContact O-N 2.78Å; L441-Y455 HydrophobicContact CD1-CD1 4.16Å; L441-Y455 HydrophobicContact CD1-CD2 3.94Å; L441-Y455 HydrophobicContact CD1-CG 3.75Å; L441-Y455 HydrophobicContact CD2-CD2 4.36Å; L441-Y455 HydrophobicContact CD2-CG 4.42Å; L441-I464 HydrophobicContact CD2-CD1 3.81Å; L441-I464 HydrophobicContact CD2-CG1 4.08Å; L441-L517 HydrophobicContact CD1-CD2 4.1Å; L441-F520 HydrophobicContact CB-CD1 4.09Å; L441-F520 HydrophobicContact CB-CD2 4.35Å; L441-F520 HydrophobicContact CB-CE1 3.67Å; L441-F520 HydrophobicContact CB-CE2 3.97Å; L441-F520 HydrophobicContact CB-CG 4.4Å; L441-F520 HydrophobicContact CB-CZ 3.6Å; L441-F520 HydrophobicContact CD1-CB 4.46Å; L441-F520 HydrophobicContact CD1-CD1 4.44Å; L441-F520 HydrophobicContact CD1-CD2 3.65Å; L441-F520 HydrophobicContact CD1-CE2 3.89Å; L441-F520 HydrophobicContact CD1-CG 3.95Å; L441-F520 HydrophobicContact CD1-CZ 4.38Å
442	K	96.3	Very high	95.9	Very high	53 Å²	53	36.3 Å²	36.3	23%	0.23	19%	0.185	C	C	.	.	H	α-helix	trans	-58.1	-43.1	171.8	-77.3	-52.1	-163.4	-153.4	0	111.7	F79 Y438 L446 E519 F520	F79-K442 HydrophobicContact CB-CB 4.2Å; F79-K442 HydrophobicContact CB-CG 4.14Å; F79-K442 HydrophobicContact CD1-CB 4.09Å; F79-K442 HydrophobicContact CD1-CG 4.47Å; F79-K442 HydrophobicContact CD2-CB 3.69Å; F79-K442 HydrophobicContact CE1-CB 4.37Å; F79-K442 HydrophobicContact CE2-CB 3.99Å; F79-K442 HydrophobicContact CG-CB 3.74Å; F79-K442 HydrophobicContact CG-CG 4.16Å; F79-K442 HydrophobicContact CZ-CB 4.31Å; Y438-K442 HydrophobicContact CE1-CG 4.08Å; Y438-K442 PolarHBondContact O-N 2.74Å; K442-L446 VanDerWaalsContact O-CB 3.28Å; K442-L446 WeakPolarHBondContact O-CB 3.5Å; K442-L446 VanDerWaalsContact O-CG 3.26Å; K442-L446 WeakPolarHBondContact O-CG 3.19Å; K442-L446 PolarHBondContact O-N 3.14Å; K442-E519 WeakPolarHBondContact CE-OE1 3.34Å; K442-E519 IonicContact NZ-OE1 3.64Å; K442-E519 PolarHBondContact NZ-OE1 2.93Å; K442-E519 IonicContact NZ-OE2 2.7Å; K442-E519 PolarHBondContact NZ-OE2 3.25Å; K442-F520 HydrophobicContact CD-CE1 3.99Å; K442-F520 HydrophobicContact CD-CZ 3.93Å; K442-F520 HydrophobicContact CG-CE1 4.44Å; K442-F520 HydrophobicContact CG-CZ 3.98Å
443	H	97.6	Very high	95.9	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.019	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-44.9	178.7	172.6	60	0	0	0	112.2	F79 M80 C427 C430 S439 L440 L441 S447 H448	F79-H443 HydrophobicContact CE2-CB 4.07Å; M80-H443 HydrophobicContact CE-CB 3.98Å; C427-H443 PolarHBondContact SG-NE2 3.04Å; C427-H443 VanDerWaalsContact SG-NE2 3.38Å; C430-H443 PolarHBondContact SG-NE2 3.45Å; S439-H443 WeakPolarHBondContact O-CB 3.42Å; S439-H443 PolarHBondContact O-N 3.3Å; L440-H443 WeakPolarHBondContact O-CB 3.31Å; L440-H443 PolarHBondContact O-N 3.22Å; L440-H443 VanDerWaalsContact O-N 3.15Å; L441-H443 VanDerWaalsContact C-N 3.31Å; L441-H443 PolarHBondContact O-N 3.21Å; H443-S447 VanDerWaalsContact CE1-CB 3.49Å; H443-S447 WeakPolarHBondContact CE1-CB 3.26Å; H443-S447 PolarHBondContact CE1-OG 2.95Å; H443-S447 PolarHBondContact ND1-OG 2.7Å; H443-S447 VanDerWaalsContact ND1-OG 3.09Å; H443-S447 WeakPolarHBondContact O-CA 3.22Å; H443-S447 WeakPolarHBondContact O-CB 3.26Å; H443-S447 PolarHBondContact O-N 2.88Å; H443-S447 PolarHBondContact O-OG 3.4Å; H443-H448 AromaticContact CD2-NE2 3.96Å; H443-H448 AromaticContact CE1-NE2 3.57Å; H443-H448 AromaticContact NE2-CD2 3.76Å; H443-H448 AromaticContact NE2-NE2 3.1Å; H443-H448 PolarHBondContact NE2-NE2 3.41Å
444	L	97.4	Very high	95.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.3	-58.2	177.9	-69.9	176.5	0	0	0	110.9	Y407 W429 L440 L441 L446 H448 F453 I464	Y407-L444 HydrophobicContact CE1-CD1 4.07Å; W429-L444 HydrophobicContact CE3-CD2 3.63Å; W429-L444 HydrophobicContact CZ3-CD2 3.43Å; W429-L444 VanDerWaalsContact CZ3-CD2 3.43Å; L440-L444 HydrophobicContact CD1-CD1 4.19Å; L440-L444 HydrophobicContact CD1-CG 4.15Å; L440-L444 HydrophobicContact CG-CD1 3.99Å; L440-L444 HydrophobicContact CG-CG 4.32Å; L440-L444 VanDerWaalsContact O-CG 3.29Å; L440-L444 WeakPolarHBondContact O-CG 3.43Å; L440-L444 PolarHBondContact O-N 3.31Å; L441-L444 PolarHBondContact O-N 3.11Å; L444-L446 VanDerWaalsContact C-N 3.35Å; L444-L446 PolarHBondContact O-N 2.71Å; L444-H448 WeakPolarHBondContact O-CA 3.47Å; L444-H448 WeakPolarHBondContact O-CB 3.05Å; L444-H448 PolarHBondContact O-N 3.45Å; L444-F453 VanDerWaalsContact C-CE2 3.44Å; L444-F453 HydrophobicContact CB-CD1 4.01Å; L444-F453 HydrophobicContact CB-CD2 3.83Å; L444-F453 HydrophobicContact CB-CE1 4.05Å; L444-F453 HydrophobicContact CB-CE2 3.87Å; L444-F453 HydrophobicContact CB-CG 3.89Å; L444-F453 HydrophobicContact CB-CZ 3.97Å; L444-F453 HydrophobicContact CD1-CD1 4.14Å; L444-F453 HydrophobicContact CD1-CE1 4.28Å; L444-F453 HydrophobicContact CD2-CE1 4.1Å; L444-F453 HydrophobicContact CD2-CZ 4.13Å; L444-F453 HydrophobicContact CG-CE1 4.36Å; L444-F453 WeakPolarHBondContact O-CE2 3.48Å; L444-I464 HydrophobicContact CD1-CD1 3.93Å
445	K	95.8	Very high	95.8	Very high	54 Å²	54	37.6 Å²	37.6	24%	0.235	19%	0.19	C	C	.	.	H	α-helix	trans	-56.9	-42.1	-179.9	-76	-180	166.6	-101.6	0	113.3	L441 F453 F520 E524	L441-K445 PolarHBondContact O-N 2.78Å; K445-F453 WeakPolarHBondContact CE-O 3.43Å; K445-F453 HydrophobicContact CG-CB 4.17Å; K445-F453 HydrophobicContact CG-CD2 4.4Å; K445-F520 HydrophobicContact CD-CD1 4.16Å; K445-F520 HydrophobicContact CD-CE1 4.25Å; K445-E524 IonicContact NZ-OE1 2.68Å; K445-E524 PolarHBondContact NZ-OE1 2.84Å
446	L	95.6	Very high	95.9	Very high	114 Å²	114	37 Å²	37	60%	0.597	18%	0.184	S	C	*	.	H	α-helix	trans	-88.6	-33.3	-173.4	-62.9	173.2	0	0	0	114.5	F79 K442 L444	F79-L446 HydrophobicContact CE1-CD1 3.86Å; F79-L446 HydrophobicContact CZ-CD1 4.3Å; K442-L446 VanDerWaalsContact O-CB 3.28Å; K442-L446 WeakPolarHBondContact O-CB 3.5Å; K442-L446 VanDerWaalsContact O-CG 3.26Å; K442-L446 WeakPolarHBondContact O-CG 3.19Å; K442-L446 PolarHBondContact O-N 3.14Å; L444-L446 VanDerWaalsContact C-N 3.35Å; L444-L446 PolarHBondContact O-N 2.71Å
447	S	96.8	Very high	95.8	Very high	37 Å²	37	35.1 Å²	35.1	26%	0.259	18%	0.184	S	C	.	.	H	α-helix	trans	-98	-20.5	-174.5	-52	0	0	0	0	113.2	Y59 H443	Y59-S447 WeakPolarHBondContact CE1-O 3.41Å; H443-S447 VanDerWaalsContact CE1-CB 3.49Å; H443-S447 WeakPolarHBondContact CE1-CB 3.26Å; H443-S447 PolarHBondContact CE1-OG 2.95Å; H443-S447 PolarHBondContact ND1-OG 2.7Å; H443-S447 VanDerWaalsContact ND1-OG 3.09Å; H443-S447 WeakPolarHBondContact O-CA 3.22Å; H443-S447 WeakPolarHBondContact O-CB 3.26Å; H443-S447 PolarHBondContact O-N 2.88Å; H443-S447 PolarHBondContact O-OG 3.4Å
448	H	96.9	Very high	95.7	Very high	5 Å²	5	37.1 Å²	37.1	2%	0.023	19%	0.192	C	C	.	.			trans	-121.2	42.2	-178	-54.7	-73.9	0	0	0	111.7	Y59 C427 H443 L444 R450 F451 F453	Y59-H448 AromaticContact CD1-ND1 3.4Å; Y59-H448 WeakPolarHBondContact CD1-ND1 3.39Å; Y59-H448 HydrophobicContact CD2-CB 4.35Å; Y59-H448 AromaticContact CD2-ND1 3.64Å; Y59-H448 HydrophobicContact CE1-CB 4.41Å; Y59-H448 AromaticContact CE1-ND1 3.81Å; Y59-H448 HydrophobicContact CE2-CB 3.93Å; Y59-H448 AromaticContact CG-ND1 3.34Å; Y59-H448 VanDerWaalsContact CG-ND1 3.34Å; Y59-H448 VanDerWaalsContact CZ-CA 3.43Å; Y59-H448 WeakPolarHBondContact OH-CA 3.35Å; C427-H448 PolarHBondContact SG-NE2 2.77Å; H443-H448 AromaticContact CD2-NE2 3.96Å; H443-H448 AromaticContact CE1-NE2 3.57Å; H443-H448 AromaticContact NE2-CD2 3.76Å; H443-H448 AromaticContact NE2-NE2 3.1Å; H443-H448 PolarHBondContact NE2-NE2 3.41Å; L444-H448 WeakPolarHBondContact O-CA 3.47Å; L444-H448 WeakPolarHBondContact O-CB 3.05Å; L444-H448 PolarHBondContact O-N 3.45Å; H448-R450 PolarHBondContact O-N 2.82Å; H448-F451 PolarHBondContact O-N 2.84Å; H448-F453 HydrophobicContact CB-CE2 3.93Å; H448-F453 HydrophobicContact CB-CZ 3.9Å; H448-F453 WeakPolarHBondContact O-CE2 3.26Å
449	S	95.2	Very high	95.4	Very high	48 Å²	48	41.4 Å²	41.4	34%	0.336	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-4.8	-170.5	60.7	0	0	0	0	117	Y59 F451 N469	Y59-S449 PolarHBondContact OH-N 2.81Å; S449-F451 PolarHBondContact O-N 3.46Å; S449-N469 PolarHBondContact O-ND2 2.69Å
450	R	96	Very high	95	Very high	63 Å²	63	47.9 Å²	47.9	24%	0.238	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.2	167.1	-69.6	176.9	173.8	-83.5	1.1	112.3	P55 Y59 H448 N469 Y472	P55-R450 HydrophobicContact CB-CB 3.94Å; P55-R450 HydrophobicContact CG-CB 4.34Å; Y59-R450 HydrophobicContact CE2-CB 4.1Å; Y59-R450 VanDerWaalsContact OH-CB 3.29Å; Y59-R450 WeakPolarHBondContact OH-CB 3.48Å; Y59-R450 VanDerWaalsContact OH-CG 3.32Å; Y59-R450 WeakPolarHBondContact OH-CG 2.86Å; Y59-R450 PolarHBondContact OH-N 3.22Å; H448-R450 PolarHBondContact O-N 2.82Å; R450-N469 WeakPolarHBondContact O-CB 3.46Å; R450-N469 PolarHBondContact O-N 2.88Å; R450-Y472 HydrophobicContact CG-CD1 3.89Å; R450-Y472 HydrophobicContact CG-CD2 3.91Å; R450-Y472 HydrophobicContact CG-CE1 3.85Å; R450-Y472 HydrophobicContact CG-CE2 3.85Å; R450-Y472 HydrophobicContact CG-CG 3.92Å; R450-Y472 VanDerWaalsContact NH1-CE1 3.31Å; R450-Y472 VanDerWaalsContact NH2-CE1 3.3Å
451	F	96.6	Very high	94.7	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	150.1	170.9	-58.7	-62	0	0	0	110.3	F52 P55 Y59 W429 H448 S449 F453 V466 S467 I468	F52-F451 HydrophobicContact CD1-CD1 4.08Å; F52-F451 AromaticContact CD1-CE1 3.41Å; F52-F451 HydrophobicContact CD1-CE1 3.41Å; F52-F451 VanDerWaalsContact CD1-CE1 3.41Å; F52-F451 HydrophobicContact CD1-CZ 4.1Å; F52-F451 AromaticContact CE1-CD1 3.96Å; F52-F451 HydrophobicContact CE1-CD1 3.96Å; F52-F451 AromaticContact CE1-CE1 3.78Å; F52-F451 HydrophobicContact CE1-CE1 3.78Å; F52-F451 HydrophobicContact CG-CE1 4.32Å; P55-F451 HydrophobicContact CB-CE1 4.02Å; P55-F451 HydrophobicContact CB-CE2 3.92Å; P55-F451 HydrophobicContact CB-CZ 3.53Å; P55-F451 HydrophobicContact CG-CE1 4.08Å; P55-F451 HydrophobicContact CG-CZ 4.05Å; Y59-F451 HydrophobicContact CD2-CD2 4.46Å; Y59-F451 AromaticContact CD2-CE2 3.98Å; Y59-F451 HydrophobicContact CD2-CE2 3.98Å; Y59-F451 AromaticContact CE2-CD2 3.99Å; Y59-F451 HydrophobicContact CE2-CD2 3.99Å; Y59-F451 AromaticContact CE2-CE2 3.86Å; Y59-F451 HydrophobicContact CE2-CE2 3.86Å; W429-F451 AromaticContact CE2-CE2 3.83Å; W429-F451 HydrophobicContact CZ2-CD2 4.25Å; W429-F451 HydrophobicContact CZ2-CE2 4.15Å; W429-F451 AromaticContact NE1-CE2 3.39Å; H448-F451 PolarHBondContact O-N 2.84Å; S449-F451 PolarHBondContact O-N 3.46Å; F451-F453 HydrophobicContact CB-CD2 4.43Å; F451-F453 HydrophobicContact CB-CE1 4.26Å; F451-F453 HydrophobicContact CB-CE2 3.73Å; F451-F453 HydrophobicContact CB-CZ 3.63Å; F451-F453 HydrophobicContact CD2-CZ 4.12Å; F451-F453 HydrophobicContact CG-CZ 4.3Å; F451-V466 HydrophobicContact CB-CG1 3.97Å; F451-V466 HydrophobicContact CD1-CG1 4.17Å; F451-V466 HydrophobicContact CG-CG1 4.06Å; F451-S467 CarbonylContact C-O 3.5Å; F451-S467 VanDerWaalsContact CA-O 3.23Å; F451-S467 WeakPolarHBondContact CA-O 3.36Å; F451-I468 HydrophobicContact CD1-CD1 3.89Å; F451-I468 HydrophobicContact CE1-CD1 3.65Å
452	I	95.6	Very high	94.5	Very high	65 Å²	65	48.4 Å²	48.4	33%	0.333	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135.3	166	-58.2	173.6	0	0	0	107	V466 S467 N469	I452-V466 WeakPolarHBondContact O-CA 3.1Å; I452-S467 PolarHBondContact N-O 2.88Å; I452-S467 PolarHBondContact O-N 2.98Å; I452-N469 HydrophobicContact CD1-CB 4.32Å; I452-N469 HydrophobicContact CG1-CB 3.8Å
453	F	95.8	Very high	94.5	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.009	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116	-179.2	-61	-83.8	0	0	0	109.7	W429 L444 K445 H448 F451 I464 D465 V466	W429-F453 AromaticContact CH2-CE1 3.53Å; W429-F453 HydrophobicContact CH2-CE1 3.53Å; W429-F453 HydrophobicContact CH2-CZ 4.09Å; W429-F453 HydrophobicContact CZ2-CE1 4.29Å; W429-F453 AromaticContact CZ3-CE1 3.73Å; W429-F453 HydrophobicContact CZ3-CE1 3.73Å; W429-F453 HydrophobicContact CZ3-CZ 4.11Å; L444-F453 VanDerWaalsContact C-CE2 3.44Å; L444-F453 HydrophobicContact CB-CD1 4.01Å; L444-F453 HydrophobicContact CB-CD2 3.83Å; L444-F453 HydrophobicContact CB-CE1 4.05Å; L444-F453 HydrophobicContact CB-CE2 3.87Å; L444-F453 HydrophobicContact CB-CG 3.89Å; L444-F453 HydrophobicContact CB-CZ 3.97Å; L444-F453 HydrophobicContact CD1-CD1 4.14Å; L444-F453 HydrophobicContact CD1-CE1 4.28Å; L444-F453 HydrophobicContact CD2-CE1 4.1Å; L444-F453 HydrophobicContact CD2-CZ 4.13Å; L444-F453 HydrophobicContact CG-CE1 4.36Å; L444-F453 WeakPolarHBondContact O-CE2 3.48Å; K445-F453 WeakPolarHBondContact CE-O 3.43Å; K445-F453 HydrophobicContact CG-CB 4.17Å; K445-F453 HydrophobicContact CG-CD2 4.4Å; H448-F453 HydrophobicContact CB-CE2 3.93Å; H448-F453 HydrophobicContact CB-CZ 3.9Å; H448-F453 WeakPolarHBondContact O-CE2 3.26Å; F451-F453 HydrophobicContact CB-CD2 4.43Å; F451-F453 HydrophobicContact CB-CE1 4.26Å; F451-F453 HydrophobicContact CB-CE2 3.73Å; F451-F453 HydrophobicContact CB-CZ 3.63Å; F451-F453 HydrophobicContact CD2-CZ 4.12Å; F451-F453 HydrophobicContact CG-CZ 4.3Å; F453-I464 HydrophobicContact CB-CG2 4.19Å; F453-I464 HydrophobicContact CD1-CG2 3.91Å; F453-D465 WeakPolarHBondContact CA-O 3.27Å; F453-V466 HydrophobicContact CD1-CG1 4.24Å; F453-V466 HydrophobicContact CD1-CG2 4.06Å; F453-V466 HydrophobicContact CE1-CG1 3.89Å; F453-V466 HydrophobicContact CE1-CG2 4.13Å
454	N	94.9	Very high	94.4	Very high	74 Å²	74	49.2 Å²	49.2	40%	0.396	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.6	176.3	-61.9	-36.4	0	0	0	109.5	I464 D465	N454-I464 WeakPolarHBondContact O-CA 3.47Å; N454-D465 HydrophobicContact CB-CB 4.25Å; N454-D465 PolarHBondContact N-O 2.96Å; N454-D465 PolarHBondContact O-N 3.12Å
455	Y	95.6	Very high	94.4	Very high	27 Å²	27	50 Å²	50	11%	0.106	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.2	-180	169.4	-121.2	0	0	0	110.1	L437 L441 P457 A462 L517 F520 L521	L437-Y455 HydrophobicContact CD2-CE2 3.98Å; L441-Y455 HydrophobicContact CD1-CD1 4.16Å; L441-Y455 HydrophobicContact CD1-CD2 3.94Å; L441-Y455 HydrophobicContact CD1-CG 3.75Å; L441-Y455 HydrophobicContact CD2-CD2 4.36Å; L441-Y455 HydrophobicContact CD2-CG 4.42Å; Y455-P457 HydrophobicContact CE1-CG 4.03Å; Y455-A462 HydrophobicContact CD2-CB 4.39Å; Y455-A462 HydrophobicContact CE2-CB 3.77Å; Y455-L517 HydrophobicContact CE1-CB 4.44Å; Y455-F520 HydrophobicContact CD1-CB 3.95Å; Y455-F520 HydrophobicContact CG-CB 4.36Å; Y455-L521 HydrophobicContact CD1-CD2 3.68Å; Y455-L521 HydrophobicContact CD1-CG 4.38Å; Y455-L521 HydrophobicContact CE1-CD2 3.98Å
456	V	94.4	Very high	94.5	Very high	44 Å²	44	47.4 Å²	47.4	27%	0.267	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.8	174.2	-178.3	0	0	0	0	108.9	H458 R463	V456-H458 PolarHBondContact O-N 3.33Å; V456-R463 HydrophobicContact CB-CB 4.25Å; V456-R463 PolarHBondContact N-O 3.27Å; V456-R463 PolarHBondContact O-N 2.85Å; V456-R463 VanDerWaalsContact O-O 3.1Å
457	P	93.5	Very high	94.5	Very high	74 Å²	74	43 Å²	43	48%	0.481	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	134.4	174.7	-24.1	34.4	0	0	0	110.8	Y455 L521	Y455-P457 HydrophobicContact CE1-CG 4.03Å; P457-L521 HydrophobicContact CG-CD1 4.39Å; P457-L521 HydrophobicContact CG-CD2 3.88Å
458	H	91.5	Very high	94.4	Very high	67 Å²	67	43.4 Å²	43.4	31%	0.31	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.3	179.7	-173.9	-89	0	0	0	109.8	F406 V456 K460 G461 R463	F406-H458 AromaticContact CE2-CE1 3.72Å; F406-H458 AromaticContact CE2-ND1 3.78Å; V456-H458 PolarHBondContact O-N 3.33Å; H458-K460 PolarHBondContact ND1-N 3.25Å; H458-K460 VanDerWaalsContact ND1-N 3.19Å; H458-K460 PolarHBondContact O-N 3.33Å; H458-G461 PolarHBondContact N-O 3.2Å; H458-G461 CarbonylContact O-C 3.51Å; H458-G461 PolarHBondContact O-N 3.25Å; H458-R463 HydrophobicContact CB-CB 4.39Å
459	P	89.3	Confident	94.3	Very high	131 Å²	131	45.2 Å²	45.2	85%	0.851	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.4	-175.9	-27.9	34.3	0	0	0	114.6
460	K	87.1	Confident	94.1	Very high	137 Å²	137	51.2 Å²	51.2	60%	0.596	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	5.3	179.1	-58.9	-178.5	179.3	175.4	0	114.3	R404 H458	R404-K460 PolarHBondContact N-O 3.3Å; H458-K460 PolarHBondContact ND1-N 3.25Å; H458-K460 VanDerWaalsContact ND1-N 3.19Å; H458-K460 PolarHBondContact O-N 3.33Å
461	G	89.6	Confident	93.8	Very high	13 Å²	13	53.7 Å²	53.7	13%	0.134	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.9	-109.2	-179	0	0	0	0	0	113.2	R404 H458	R404-G461 WeakPolarHBondContact O-CA 3.24Å; H458-G461 PolarHBondContact N-O 3.2Å; H458-G461 CarbonylContact O-C 3.51Å; H458-G461 PolarHBondContact O-N 3.25Å
462	A	93.8	Very high	93.4	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.008	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	143.1	-176.4	0	0	0	0	0	111.3	R404 I405 F406 L437 Y455	R404-A462 PolarHBondContact O-N 2.95Å; I405-A462 WeakPolarHBondContact CA-O 2.89Å; F406-A462 PolarHBondContact N-O 3.5Å; L437-A462 HydrophobicContact CD1-CB 3.99Å; L437-A462 HydrophobicContact CD2-CB 3.89Å; Y455-A462 HydrophobicContact CD2-CB 4.39Å; Y455-A462 HydrophobicContact CE2-CB 3.77Å
463	R	95.3	Very high	92.7	Very high	74 Å²	74	60.4 Å²	60.4	28%	0.279	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.1	164.6	-169.4	-174.1	89.4	-165	0.9	108.4	F406 V456 H458 D465	F406-R463 HydrophobicContact CB-CG 4.2Å; F406-R463 CarbonylContact O-C 3.59Å; F406-R463 WeakPolarHBondContact O-CA 3.37Å; V456-R463 HydrophobicContact CB-CB 4.25Å; V456-R463 PolarHBondContact N-O 3.27Å; V456-R463 PolarHBondContact O-N 2.85Å; V456-R463 VanDerWaalsContact O-O 3.1Å; H458-R463 HydrophobicContact CB-CB 4.39Å; R463-D465 IonicContact CZ-OD1 3.31Å; R463-D465 IonicContact CZ-OD2 3.74Å; R463-D465 IonicContact NE-OD1 2.71Å; R463-D465 PolarHBondContact NE-OD1 2.96Å; R463-D465 IonicContact NE-OD2 3.46Å; R463-D465 IonicContact NH2-OD1 2.97Å; R463-D465 IonicContact NH2-OD2 2.81Å; R463-D465 PolarHBondContact NH2-OD2 2.94Å
464	I	96.4	Very high	91.8	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	111.1	178.6	-57.2	174.3	0	0	0	106.7	I405 F406 Y407 Q408 L440 L441 L444 F453 N454 V466	I405-I464 HydrophobicContact CG2-CD1 3.88Å; I405-I464 HydrophobicContact CG2-CG1 4.4Å; F406-I464 PolarHBondContact O-N 3.39Å; Y407-I464 WeakPolarHBondContact CA-O 3.4Å; Y407-I464 HydrophobicContact CD1-CB 3.97Å; Y407-I464 HydrophobicContact CD1-CG2 4.23Å; Y407-I464 HydrophobicContact CE1-CB 4.03Å; Y407-I464 HydrophobicContact CE1-CD1 3.79Å; Y407-I464 HydrophobicContact CE1-CG1 4.47Å; Y407-I464 HydrophobicContact CE1-CG2 4.16Å; Q408-I464 PolarHBondContact N-O 3.07Å; L440-I464 HydrophobicContact CD2-CD1 4.41Å; L441-I464 HydrophobicContact CD2-CD1 3.81Å; L441-I464 HydrophobicContact CD2-CG1 4.08Å; L444-I464 HydrophobicContact CD1-CD1 3.93Å; F453-I464 HydrophobicContact CB-CG2 4.19Å; F453-I464 HydrophobicContact CD1-CG2 3.91Å; N454-I464 WeakPolarHBondContact O-CA 3.47Å; I464-V466 HydrophobicContact CG2-CG2 4.35Å
465	D	96.8	Very high	91.2	Very high	16 Å²	16	62 Å²	62	9%	0.086	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	126.8	175.9	-56.6	-17.1	0	0	0	107.8	Q408 L410 F453 N454 R463	Q408-D465 WeakPolarHBondContact CB-OD1 3.46Å; Q408-D465 CarbonylContact O-C 3.58Å; Q408-D465 WeakPolarHBondContact O-CA 3.36Å; Q408-D465 PolarHBondContact OE1-OD1 3.47Å; L410-D465 HydrophobicContact CD1-CB 3.82Å; L410-D465 HydrophobicContact CG-CB 4.34Å; F453-D465 WeakPolarHBondContact CA-O 3.27Å; N454-D465 HydrophobicContact CB-CB 4.25Å; N454-D465 PolarHBondContact N-O 2.96Å; N454-D465 PolarHBondContact O-N 3.12Å; R463-D465 IonicContact CZ-OD1 3.31Å; R463-D465 IonicContact CZ-OD2 3.74Å; R463-D465 IonicContact NE-OD1 2.71Å; R463-D465 PolarHBondContact NE-OD1 2.96Å; R463-D465 IonicContact NE-OD2 3.46Å; R463-D465 IonicContact NH2-OD1 2.97Å; R463-D465 IonicContact NH2-OD2 2.81Å; R463-D465 PolarHBondContact NH2-OD2 2.94Å
466	V	97.5	Very high	90.8	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.2	-174.3	-167.9	0	0	0	0	108.7	F52 Y407 Q408 F409 L410 W429 F451 I452 F453 I464	F52-V466 HydrophobicContact CE1-CG1 4.08Å; Y407-V466 HydrophobicContact CD1-CG2 3.86Å; Q408-V466 PolarHBondContact O-N 2.96Å; F409-V466 WeakPolarHBondContact CA-O 3.16Å; F409-V466 HydrophobicContact CD1-CB 4.12Å; F409-V466 HydrophobicContact CD1-CG1 4.35Å; F409-V466 HydrophobicContact CE1-CB 4.29Å; F409-V466 HydrophobicContact CE1-CG1 4.28Å; F409-V466 HydrophobicContact CE1-CG2 4.5Å; L410-V466 PolarHBondContact N-O 3.45Å; W429-V466 HydrophobicContact CH2-CG1 4.38Å; W429-V466 HydrophobicContact CH2-CG2 4.3Å; W429-V466 HydrophobicContact CZ2-CG1 4.33Å; F451-V466 HydrophobicContact CB-CG1 3.97Å; F451-V466 HydrophobicContact CD1-CG1 4.17Å; F451-V466 HydrophobicContact CG-CG1 4.06Å; I452-V466 WeakPolarHBondContact O-CA 3.1Å; F453-V466 HydrophobicContact CD1-CG1 4.24Å; F453-V466 HydrophobicContact CD1-CG2 4.06Å; F453-V466 HydrophobicContact CE1-CG1 3.89Å; F453-V466 HydrophobicContact CE1-CG2 4.13Å; I464-V466 HydrophobicContact CG2-CG2 4.35Å
467	S	96.1	Very high	90.2	Very high	22 Å²	22	69.9 Å²	69.9	15%	0.154	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	165.7	173.6	58.8	0	0	0	0	111.2	F451 I452	F451-S467 CarbonylContact C-O 3.5Å; F451-S467 VanDerWaalsContact CA-O 3.23Å; F451-S467 WeakPolarHBondContact CA-O 3.36Å; I452-S467 PolarHBondContact N-O 2.88Å; I452-S467 PolarHBondContact O-N 2.98Å
468	I	95.4	Very high	89.9	Confident	45 Å²	45	67.1 Å²	67.1	23%	0.231	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	137	175.3	-56.2	-58.4	0	0	0	109.4	A51 F52 F451 E470	A51-I468 HydrophobicContact CB-CD1 4.28Å; A51-I468 HydrophobicContact CB-CG1 4.16Å; A51-I468 WeakPolarHBondContact O-CD1 3.33Å; F52-I468 HydrophobicContact CD1-CD1 3.86Å; F52-I468 HydrophobicContact CD2-CD1 3.96Å; F52-I468 HydrophobicContact CD2-CG1 4.44Å; F52-I468 HydrophobicContact CE1-CD1 3.76Å; F52-I468 HydrophobicContact CE1-CG1 4.47Å; F52-I468 HydrophobicContact CE2-CD1 3.88Å; F52-I468 HydrophobicContact CE2-CG1 4.01Å; F52-I468 HydrophobicContact CG-CD1 3.96Å; F52-I468 HydrophobicContact CZ-CD1 3.8Å; F52-I468 HydrophobicContact CZ-CG1 4.04Å; F451-I468 HydrophobicContact CD1-CD1 3.89Å; F451-I468 HydrophobicContact CE1-CD1 3.65Å; I468-E470 PolarHBondContact O-N 3.28Å
469	N	93.9	Very high	89.7	Confident	42 Å²	42	64.6 Å²	64.6	23%	0.225	36%	0.358	C	S	.	.			trans	-84.2	98.4	170.7	-174.7	0.9	0	0	0	110.1	S449 R450 I452 C471 Y472	S449-N469 PolarHBondContact O-ND2 2.69Å; R450-N469 WeakPolarHBondContact O-CB 3.46Å; R450-N469 PolarHBondContact O-N 2.88Å; I452-N469 HydrophobicContact CD1-CB 4.32Å; I452-N469 HydrophobicContact CG1-CB 3.8Å; N469-C471 VanDerWaalsContact C-N 3.26Å; N469-C471 PolarHBondContact O-N 3.1Å; N469-C471 PolarHBondContact OD1-N 3.41Å; N469-C471 VanDerWaalsContact OD1-N 3.16Å; N469-Y472 WeakPolarHBondContact O-CB 3.37Å; N469-Y472 PolarHBondContact O-N 3.5Å; N469-Y472 PolarHBondContact OD1-N 3.47Å
470	E	90.9	Very high	89.6	Confident	175 Å²	175	59.5 Å²	59.5	82%	0.818	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-26.3	179.6	-62.4	-174.5	173.9	0	0	112.9	I468 Y472	I468-E470 PolarHBondContact O-N 3.28Å; E470-Y472 PolarHBondContact O-N 3.16Å
471	C	88.9	Confident	89.5	Confident	114 Å²	114	54.9 Å²	54.9	77%	0.77	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	0.7	177.5	-55.6	0	0	0	0	113.3	N469 D473	N469-C471 VanDerWaalsContact C-N 3.26Å; N469-C471 PolarHBondContact O-N 3.1Å; N469-C471 PolarHBondContact OD1-N 3.41Å; N469-C471 VanDerWaalsContact OD1-N 3.16Å; C471-D473 VanDerWaalsContact C-N 3.33Å; C471-D473 PolarHBondContact O-N 2.7Å
472	Y	90.2	Very high	89.5	Confident	85 Å²	85	55.6 Å²	55.6	33%	0.333	31%	0.307	S	S	.	.			trans	-71	93	173.2	-170.9	-84.4	0	0	0	109.2	R450 N469 E470 G474	R450-Y472 HydrophobicContact CG-CD1 3.89Å; R450-Y472 HydrophobicContact CG-CD2 3.91Å; R450-Y472 HydrophobicContact CG-CE1 3.85Å; R450-Y472 HydrophobicContact CG-CE2 3.85Å; R450-Y472 HydrophobicContact CG-CG 3.92Å; R450-Y472 VanDerWaalsContact NH1-CE1 3.31Å; R450-Y472 VanDerWaalsContact NH2-CE1 3.3Å; N469-Y472 WeakPolarHBondContact O-CB 3.37Å; N469-Y472 PolarHBondContact O-N 3.5Å; N469-Y472 PolarHBondContact OD1-N 3.47Å; E470-Y472 PolarHBondContact O-N 3.16Å; Y472-G474 PolarHBondContact O-N 2.92Å
473	D	80.4	Confident	89.1	Confident	125 Å²	125	60.1 Å²	60.1	67%	0.668	33%	0.33	S	S	*	.			trans	-65.5	-26.4	-175.8	70.1	-16.9	0	0	0	113.1	C471 S475	C471-D473 VanDerWaalsContact C-N 3.33Å; C471-D473 PolarHBondContact O-N 2.7Å; D473-S475 PolarHBondContact O-N 3.27Å; D473-S475 WeakPolarHBondContact OD2-CB 3.14Å; D473-S475 PolarHBondContact OD2-OG 2.96Å
474	G	76.4	Confident	88.7	Confident	46 Å²	46	61.5 Å²	61.5	47%	0.474	34%	0.339	S	S	.	.			trans	54.1	21.5	-179.1	0	0	0	0	0	113.2	Y472	Y472-G474 PolarHBondContact O-N 2.92Å
475	S	82.6	Confident	88.1	Confident	63 Å²	63	63.8 Å²	63.8	44%	0.441	36%	0.355	S	S	.	.			trans	-73.5	154.3	-168.6	69.4	0	0	0	0	110.7	D473 V477	D473-S475 PolarHBondContact O-N 3.27Å; D473-S475 WeakPolarHBondContact OD2-CB 3.14Å; D473-S475 PolarHBondContact OD2-OG 2.96Å; S475-V477 PolarHBondContact O-N 3.02Å
476	Y	86.6	Confident	87.4	Confident	103 Å²	103	69.8 Å²	69.8	40%	0.404	38%	0.383	S	S	.	.			trans	-74.7	111.2	-178.3	173.7	-113.5	0	0	0	110.9	G478 N479 D482 I483 F491	Y476-G478 VanDerWaalsContact C-N 3.33Å; Y476-G478 VanDerWaalsContact CE1-CA 3.44Å; Y476-G478 VanDerWaalsContact CZ-CA 3.43Å; Y476-G478 PolarHBondContact O-N 3.1Å; Y476-N479 WeakPolarHBondContact CE1-O 3.48Å; Y476-D482 HydrophobicContact CE1-CB 4.05Å; Y476-D482 PolarHBondContact OH-OD2 3.22Å; Y476-I483 HydrophobicContact CD1-CD1 4.23Å; Y476-I483 HydrophobicContact CD1-CG1 3.94Å; Y476-F491 AromaticContact CD1-CE1 3.91Å; Y476-F491 HydrophobicContact CD1-CE1 3.91Å; Y476-F491 HydrophobicContact CD2-CD1 4.48Å; Y476-F491 AromaticContact CD2-CE1 3.9Å; Y476-F491 HydrophobicContact CD2-CE1 3.9Å; Y476-F491 HydrophobicContact CE1-CD1 4.1Å; Y476-F491 AromaticContact CE1-CE1 3.69Å; Y476-F491 HydrophobicContact CE1-CE1 3.69Å; Y476-F491 AromaticContact CE2-CD1 3.84Å; Y476-F491 HydrophobicContact CE2-CD1 3.84Å; Y476-F491 AromaticContact CE2-CE1 3.69Å; Y476-F491 HydrophobicContact CE2-CE1 3.69Å; Y476-F491 HydrophobicContact CG-CE1 4Å; Y476-F491 AromaticContact CZ-CD1 3.62Å; Y476-F491 AromaticContact CZ-CE1 3.58Å
477	V	82.5	Confident	86.8	Confident	134 Å²	134	75.4 Å²	75.4	81%	0.812	42%	0.419	S	S	*	.			trans	-92	64.3	177.4	-166.1	0	0	0	0	110.5	S475	S475-V477 PolarHBondContact O-N 3.02Å
478	G	86.1	Confident	86.1	Confident	17 Å²	17	78.2 Å²	78.2	18%	0.175	45%	0.452	C	S	.	.	S	Bend	trans	-139.6	-136.3	176.9	0	0	0	0	0	111.6	Y476 P480 R499	Y476-G478 VanDerWaalsContact C-N 3.33Å; Y476-G478 VanDerWaalsContact CE1-CA 3.44Å; Y476-G478 VanDerWaalsContact CZ-CA 3.43Å; Y476-G478 PolarHBondContact O-N 3.1Å; G478-P480 WeakPolarHBondContact O-CD 3.46Å; G478-R499 VanDerWaalsContact O-CZ 3.26Å; G478-R499 PolarHBondContact O-NH1 3.36Å; G478-R499 VanDerWaalsContact O-NH1 3.14Å; G478-R499 PolarHBondContact O-NH2 3.49Å
479	N	87.7	Confident	85.3	Confident	13 Å²	13	83.7 Å²	83.7	7%	0.07	47%	0.474	C	S	.	.			trans	-78.2	115.3	174.5	-177	22.5	0	0	0	110.9	Y476 Q481 D482 R499	Y476-N479 WeakPolarHBondContact CE1-O 3.48Å; N479-Q481 PolarHBondContact O-N 3.04Å; N479-D482 HydrophobicContact CB-CB 4.5Å; N479-D482 WeakPolarHBondContact CB-OD1 3.31Å; N479-D482 PolarHBondContact ND2-OD1 3.2Å; N479-D482 WeakPolarHBondContact O-CB 3.35Å; N479-D482 PolarHBondContact O-N 3.21Å; N479-R499 PolarHBondContact OD1-NE 3.45Å
480	P	87.4	Confident	84.7	Confident	25 Å²	25	82.8 Å²	82.8	16%	0.162	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-55.3	-27.5	-178.8	-27	34.8	0	0	0	113.6	G478 D482 I483 R499 L541	G478-P480 WeakPolarHBondContact O-CD 3.46Å; P480-D482 VanDerWaalsContact C-N 3.32Å; P480-D482 PolarHBondContact O-N 3.42Å; P480-I483 PolarHBondContact O-N 3.2Å; P480-R499 VanDerWaalsContact CD-NH2 3.28Å; P480-L541 HydrophobicContact CB-CB 4.02Å; P480-L541 HydrophobicContact CB-CD1 4.43Å
481	Q	85.7	Confident	84.4	Confident	40 Å²	40	79.4 Å²	79.4	19%	0.187	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-71.6	-22.6	178	-70.7	172	0.4	0	0	113.9	N479 I483 H484 S485 L541 L551 P553	N479-Q481 PolarHBondContact O-N 3.04Å; Q481-I483 PolarHBondContact O-N 3.23Å; Q481-H484 PolarHBondContact O-N 3.28Å; Q481-S485 PolarHBondContact O-N 3.44Å; Q481-S485 PolarHBondContact O-OG 3.24Å; Q481-L541 HydrophobicContact CG-CD1 3.56Å; Q481-L551 PolarHBondContact NE2-O 3.1Å; Q481-P553 VanDerWaalsContact NE2-CG 3.33Å
482	D	88	Confident	83.9	Confident	28 Å²	28	76.9 Å²	76.9	15%	0.15	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-65.9	-27	179.4	-66.3	0.8	0	0	0	111.3	Y476 N479 P480 H484 S485 A490 F491	Y476-D482 HydrophobicContact CE1-CB 4.05Å; Y476-D482 PolarHBondContact OH-OD2 3.22Å; N479-D482 HydrophobicContact CB-CB 4.5Å; N479-D482 WeakPolarHBondContact CB-OD1 3.31Å; N479-D482 PolarHBondContact ND2-OD1 3.2Å; N479-D482 WeakPolarHBondContact O-CB 3.35Å; N479-D482 PolarHBondContact O-N 3.21Å; P480-D482 VanDerWaalsContact C-N 3.32Å; P480-D482 PolarHBondContact O-N 3.42Å; D482-H484 VanDerWaalsContact C-N 3.28Å; D482-H484 PolarHBondContact O-N 2.82Å; D482-S485 WeakPolarHBondContact O-CB 3.45Å; D482-S485 PolarHBondContact O-N 2.96Å; D482-A490 WeakPolarHBondContact O-CB 3.32Å; D482-F491 HydrophobicContact CB-CD1 3.88Å; D482-F491 HydrophobicContact CB-CE1 3.93Å
483	I	87.1	Confident	83.5	Confident	96 Å²	96	84.1 Å²	84.1	49%	0.492	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-65.2	-33.7	179.5	-59.6	174	0	0	0	111.4	Y476 P480 Q481	Y476-I483 HydrophobicContact CD1-CD1 4.23Å; Y476-I483 HydrophobicContact CD1-CG1 3.94Å; P480-I483 PolarHBondContact O-N 3.2Å; Q481-I483 PolarHBondContact O-N 3.23Å
484	H	85.3	Confident	83.7	Confident	103 Å²	103	85.2 Å²	85.2	48%	0.477	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-102.8	6.1	-177.2	-61.6	77.7	0	0	0	112.4	Q481 D482 L541 F543 P550	Q481-H484 PolarHBondContact O-N 3.28Å; D482-H484 VanDerWaalsContact C-N 3.28Å; D482-H484 PolarHBondContact O-N 2.82Å; H484-L541 WeakPolarHBondContact CE1-CD2 3.35Å; H484-L541 WeakPolarHBondContact ND1-CD2 3.45Å; H484-F543 AromaticContact NE2-CZ 3.84Å; H484-P550 HydrophobicContact CB-CG 3.78Å
485	S	84.4	Confident	84.3	Confident	47 Å²	47	85.5 Å²	85.5	33%	0.329	47%	0.474	S	S	.	.	S	Bend	trans	-74.6	146.9	176.2	-66.9	0	0	0	0	110.6	Q481 D482	Q481-S485 PolarHBondContact O-N 3.44Å; Q481-S485 PolarHBondContact O-OG 3.24Å; D482-S485 WeakPolarHBondContact O-CB 3.45Å; D482-S485 PolarHBondContact O-N 2.96Å
486	Q	82.6	Confident	84.8	Confident	142 Å²	142	89.2 Å²	89.2	66%	0.664	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-55.6	138.5	178	-70.8	-67.9	-18.6	0	0	111.1	G488 F489 A490	Q486-G488 PolarHBondContact O-N 3.04Å; Q486-F489 HydrophobicContact CB-CD2 4.09Å; Q486-F489 PolarHBondContact O-N 3.39Å; Q486-A490 PolarHBondContact O-N 2.72Å
487	P	84.8	Confident	84.9	Confident	118 Å²	118	88.9 Å²	88.9	77%	0.766	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	130.3	176.9	-26.5	34.4	0	0	0	111.4
488	G	80.5	Confident	85.1	Confident	81 Å²	81	88.3 Å²	88.3	84%	0.835	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	97	-23.7	-175.1	0	0	0	0	0	114.8	Q486	Q486-G488 PolarHBondContact O-N 3.04Å
489	F	79.6	Confident	85.2	Confident	161 Å²	161	91.9 Å²	91.9	71%	0.706	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-26.2	171.1	-62.2	-83.4	0	0	0	112.5	Q486 S492	Q486-F489 HydrophobicContact CB-CD2 4.09Å; Q486-F489 PolarHBondContact O-N 3.39Å; F489-S492 WeakPolarHBondContact O-CB 3.48Å; F489-S492 PolarHBondContact O-N 2.9Å
490	A	80.6	Confident	85.1	Confident	23 Å²	23	92.7 Å²	92.7	19%	0.19	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	139.7	173.1	0	0	0	0	0	111.9	D482 Q486 S492	D482-A490 WeakPolarHBondContact O-CB 3.32Å; Q486-A490 PolarHBondContact O-N 2.72Å; A490-S492 PolarHBondContact O-N 2.86Å; A490-S492 VanDerWaalsContact O-N 3.1Å
491	F	84.9	Confident	85.2	Confident	103 Å²	103	97 Å²	97	45%	0.452	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	20.8	-178.9	-42	-74	0	0	0	114.2	Y476 D482 R493	Y476-F491 AromaticContact CD1-CE1 3.91Å; Y476-F491 HydrophobicContact CD1-CE1 3.91Å; Y476-F491 HydrophobicContact CD2-CD1 4.48Å; Y476-F491 AromaticContact CD2-CE1 3.9Å; Y476-F491 HydrophobicContact CD2-CE1 3.9Å; Y476-F491 HydrophobicContact CE1-CD1 4.1Å; Y476-F491 AromaticContact CE1-CE1 3.69Å; Y476-F491 HydrophobicContact CE1-CE1 3.69Å; Y476-F491 AromaticContact CE2-CD1 3.84Å; Y476-F491 HydrophobicContact CE2-CD1 3.84Å; Y476-F491 AromaticContact CE2-CE1 3.69Å; Y476-F491 HydrophobicContact CE2-CE1 3.69Å; Y476-F491 HydrophobicContact CG-CE1 4Å; Y476-F491 AromaticContact CZ-CD1 3.62Å; Y476-F491 AromaticContact CZ-CE1 3.58Å; D482-F491 HydrophobicContact CB-CD1 3.88Å; D482-F491 HydrophobicContact CB-CE1 3.93Å; F491-R493 PolarHBondContact O-N 3.01Å
492	S	79.6	Confident	85.5	Confident	62 Å²	62	97 Å²	97	43%	0.434	54%	0.537	S	S	.	.			trans	-55	124	173.3	176	0	0	0	0	109.2	F489 A490 N494	F489-S492 WeakPolarHBondContact O-CB 3.48Å; F489-S492 PolarHBondContact O-N 2.9Å; A490-S492 PolarHBondContact O-N 2.86Å; A490-S492 VanDerWaalsContact O-N 3.1Å; S492-N494 WeakPolarHBondContact OG-CB 3.43Å; S492-N494 PolarHBondContact OG-N 2.84Å
493	R	81.1	Confident	85.6	Confident	236 Å²	236	100 Å²	100	89%	0.891	56%	0.556	S	S	*	*			trans	-95.5	18.6	175.1	-59.5	-173.8	179.6	-167.6	-2	110.9	F491 G495	F491-R493 PolarHBondContact O-N 3.01Å; R493-G495 PolarHBondContact O-N 2.82Å
494	N	85.4	Confident	85.7	Confident	149 Å²	149	99.4 Å²	99.4	80%	0.797	55%	0.551	S	S	*	*	S	Bend	trans	-92.4	81	-173.5	-63.7	37.7	0	0	0	109.4	S492	S492-N494 WeakPolarHBondContact OG-CB 3.43Å; S492-N494 PolarHBondContact OG-N 2.84Å
495	G	88.3	Confident	85.8	Confident	51 Å²	51	98.8 Å²	98.8	53%	0.526	55%	0.55	S	S	.	*	S	Bend	trans	95.4	176.2	171.2	0	0	0	0	0	114.9	R493	R493-G495 PolarHBondContact O-N 2.82Å
496	P	92.2	Very high	86	Confident	141 Å²	141	102.8 Å²	102.8	92%	0.916	57%	0.567	S	S	*	*			trans	-74.1	146.8	-178.6	-15.8	31.9	0	0	0	112.8
497	V	88.8	Confident	86.2	Confident	97 Å²	97	101.5 Å²	101.5	59%	0.588	57%	0.569	S	S	*	*			trans	-130.2	130.1	176.6	-178.5	0	0	0	0	109.6
498	K	87.1	Confident	86.2	Confident	121 Å²	121	100 Å²	100	53%	0.526	56%	0.561	S	S	.	*			trans	-70.6	139.1	174.4	-177.8	-178	174.8	-169.5	0	109.8	Q554	K498-Q554 HydrophobicContact CD-CG 4.1Å
499	R	87.8	Confident	86.3	Confident	92 Å²	92	107.2 Å²	107.2	35%	0.347	56%	0.563	S	S	.	*			trans	-143.2	163.7	-179.8	-67.9	-175.6	59.2	-168.5	-9.6	111.6	G478 N479 P480	G478-R499 VanDerWaalsContact O-CZ 3.26Å; G478-R499 PolarHBondContact O-NH1 3.36Å; G478-R499 VanDerWaalsContact O-NH1 3.14Å; G478-R499 PolarHBondContact O-NH2 3.49Å; N479-R499 PolarHBondContact OD1-NE 3.45Å; P480-R499 VanDerWaalsContact CD-NH2 3.28Å
500	T	87.1	Confident	86.6	Confident	30 Å²	30	103.6 Å²	103.6	18%	0.184	56%	0.555	C	S	.	*			trans	-65.7	129.5	170.9	51.2	0	0	0	0	110.4	V502 H538 P553 M556	T500-V502 PolarHBondContact O-N 2.87Å; T500-H538 PolarHBondContact OG1-O 3.01Å; T500-H538 VanDerWaalsContact OG1-O 3.11Å; T500-P553 HydrophobicContact CG2-CB 4.08Å; T500-M556 HydrophobicContact CG2-CE 3.5Å; T500-M556 HydrophobicContact CG2-SD 4.08Å
501	P	89.6	Confident	86.7	Confident	116 Å²	116	111.3 Å²	111.3	75%	0.753	59%	0.585	S	S	*	*			trans	-64.5	131.6	175.8	-22.5	33.8	0	0	0	111.7
502	V	90.4	Very high	86.6	Confident	41 Å²	41	117.7 Å²	117.7	25%	0.248	61%	0.606	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.7	135.3	175.6	-176.2	0	0	0	0	109.4	T500 H504 V535 S536 H538 N539	T500-V502 PolarHBondContact O-N 2.87Å; V502-H504 VanDerWaalsContact CG1-NE2 3.26Å; V502-H504 WeakPolarHBondContact CG1-NE2 3.39Å; V502-V535 HydrophobicContact CG1-CG1 3.96Å; V502-S536 WeakPolarHBondContact CA-O 3.09Å; V502-H538 VanDerWaalsContact CG2-C 3.46Å; V502-H538 WeakPolarHBondContact CG2-O 3.33Å; V502-N539 HydrophobicContact CG1-CB 3.98Å; V502-N539 HydrophobicContact CG2-CB 3.98Å
503	T	90.7	Very high	86.9	Confident	89 Å²	89	120 Å²	120	55%	0.546	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.3	130	176.8	-56.5	0	0	0	0	110.8	V535 S536	T503-V535 WeakPolarHBondContact O-CA 3.18Å; T503-S536 PolarHBondContact N-O 3.34Å; T503-S536 PolarHBondContact O-N 3.3Å
504	H	88.6	Confident	87.1	Confident	85 Å²	85	117.9 Å²	117.9	39%	0.394	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.7	126.4	176.6	-64.4	-86.2	0	0	0	111	V502 L506 V535	V502-H504 VanDerWaalsContact CG1-NE2 3.26Å; V502-H504 WeakPolarHBondContact CG1-NE2 3.39Å; H504-L506 HydrophobicContact CB-CD2 4.42Å; H504-V535 WeakPolarHBondContact ND1-CG2 3.3Å
505	I	88.8	Confident	87.3	Confident	90 Å²	90	115.1 Å²	115.1	46%	0.462	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.5	101.1	170.8	-59	175.1	0	0	0	108.9	T533 Y534	I505-T533 WeakPolarHBondContact O-CG2 3.38Å; I505-Y534 PolarHBondContact N-O 3.12Å
506	L	86.8	Confident	87.4	Confident	130 Å²	130	115.2 Å²	115.2	68%	0.681	60%	0.597	S	S	*	*			trans	-82.5	-36	-177.1	-60.6	179.7	0	0	0	113.8	H504 T533	H504-L506 HydrophobicContact CB-CD2 4.42Å; L506-T533 HydrophobicContact CD2-CG2 3.94Å
507	V	87.4	Confident	87.3	Confident	116 Å²	116	111.4 Å²	111.4	70%	0.703	57%	0.569	S	S	*	*			trans	-142.6	126.9	-177.9	-178.1	0	0	0	0	109.4
508	S	85.4	Confident	87.3	Confident	87 Å²	87	109.3 Å²	109.3	61%	0.608	56%	0.559	S	S	*	*			trans	-142.2	134.1	173	-175.7	0	0	0	0	109.9
509	R	83.1	Confident	87.4	Confident	232 Å²	232	106.1 Å²	106.1	88%	0.875	55%	0.546	S	S	*	.	S	Bend	trans	43.9	63.3	175.4	-60.4	-179.2	179.1	166.1	-0.1	114.3	K511	R509-K511 PolarHBondContact O-N 2.98Å
510	P	84.6	Confident	87.4	Confident	84 Å²	84	102.5 Å²	102.5	55%	0.545	53%	0.533	S	S	.	.			trans	-66.1	130.9	-175	28	-34.9	0	0	0	111.9
511	K	83.9	Confident	87.4	Confident	186 Å²	186	105.8 Å²	105.8	81%	0.809	55%	0.549	S	S	*	.			trans	-66.7	131.4	168.7	-64.9	178.7	-176.4	171.7	0	108.9	R509	R509-K511 PolarHBondContact O-N 2.98Å
512	R	81.8	Confident	86.6	Confident	237 Å²	237	106.9 Å²	106.9	89%	0.894	54%	0.544	S	S	*	.			trans	-103.5	68.7	179	-66.6	-173.8	179.1	177.1	1.8	110.5
513	T	85.1	Confident	85.1	Confident	111 Å²	111	109.5 Å²	109.5	68%	0.681	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-71.9	154.8	175.5	50.1	0	0	0	0	111
514	K	87.1	Confident	83.4	Confident	191 Å²	191	110.8 Å²	110.8	83%	0.83	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-75.1	140.9	175.7	-69.7	-179.1	-178.3	174.2	0	109.3	S516	K514-S516 PolarHBondContact O-N 3.27Å
515	P	88.9	Confident	81.6	Confident	91 Å²	91	113.3 Å²	113.3	59%	0.591	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-53.3	125.1	173.7	-30.1	37.8	0	0	0	112.5	Y438	Y438-P515 HydrophobicContact CD1-CB 3.88Å; Y438-P515 HydrophobicContact CD1-CG 4.47Å; Y438-P515 HydrophobicContact CD2-CB 3.85Å; Y438-P515 HydrophobicContact CE1-CB 3.64Å; Y438-P515 HydrophobicContact CE1-CG 3.94Å; Y438-P515 HydrophobicContact CE2-CB 3.6Å; Y438-P515 HydrophobicContact CG-CB 4Å
516	S	90.8	Very high	79.5	Confident	52 Å²	52	112 Å²	112	36%	0.364	59%	0.588	S	S	.	*			trans	-133.5	149.1	172.3	-177.5	0	0	0	0	109.3	Y438 K514 S518 E519	Y438-S516 WeakPolarHBondContact CD2-O 3.18Å; K514-S516 PolarHBondContact O-N 3.27Å; S516-S518 VanDerWaalsContact C-N 3.3Å; S516-S518 WeakPolarHBondContact CB-OG 3.37Å; S516-S518 PolarHBondContact OG-N 3.24Å; S516-S518 PolarHBondContact OG-OG 2.84Å; S516-E519 WeakPolarHBondContact O-CG 3.39Å
517	L	90.5	Very high	77.6	Confident	61 Å²	61	113.4 Å²	113.4	32%	0.319	59%	0.591	S	S	.	*	S	Bend	trans	-80.3	-15.1	171.4	-68.3	177.3	0	0	0	112.6	L437 L441 Y455 E519 F520	L437-L517 HydrophobicContact CD2-CD1 4.15Å; L437-L517 HydrophobicContact CD2-CD2 4.47Å; L437-L517 HydrophobicContact CG-CD2 4.33Å; L441-L517 HydrophobicContact CD1-CD2 4.1Å; Y455-L517 HydrophobicContact CE1-CB 4.44Å; L517-E519 PolarHBondContact O-N 3.31Å; L517-F520 HydrophobicContact CD2-CD2 4.11Å; L517-F520 HydrophobicContact CD2-CE2 4.07Å; L517-F520 PolarHBondContact O-N 3.36Å
518	S	88.9	Confident	75.8	Confident	54 Å²	54	114 Å²	114	38%	0.378	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-61	-32.4	178.4	60.2	0	0	0	0	112.6	S516 F520 L521	S516-S518 VanDerWaalsContact C-N 3.3Å; S516-S518 WeakPolarHBondContact CB-OG 3.37Å; S516-S518 PolarHBondContact OG-N 3.24Å; S516-S518 PolarHBondContact OG-OG 2.84Å; S518-F520 PolarHBondContact O-N 3.41Å; S518-L521 PolarHBondContact O-N 2.99Å
519	E	87.6	Confident	73.9	Confident	54 Å²	54	118.6 Å²	118.6	25%	0.252	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-61.2	-15	178.6	76.5	178.3	-173.1	0	0	113.6	Y438 K442 S516 L517	Y438-E519 WeakPolarHBondContact CE2-OE1 3.28Å; K442-E519 WeakPolarHBondContact CE-OE1 3.34Å; K442-E519 IonicContact NZ-OE1 3.64Å; K442-E519 PolarHBondContact NZ-OE1 2.93Å; K442-E519 IonicContact NZ-OE2 2.7Å; K442-E519 PolarHBondContact NZ-OE2 3.25Å; S516-E519 WeakPolarHBondContact O-CG 3.39Å; L517-E519 PolarHBondContact O-N 3.31Å
520	F	89.3	Confident	72	Confident	16 Å²	16	116 Å²	116	7%	0.07	60%	0.6	C	S	.	*	G	3₁₀ helix	trans	-98	-2.6	178.3	-56	-72.8	0	0	0	113.3	Y438 L441 K442 K445 Y455 L517 S518	Y438-F520 AromaticContact CD2-CE2 3.69Å; Y438-F520 HydrophobicContact CD2-CE2 3.69Å; Y438-F520 HydrophobicContact CD2-CZ 4.12Å; Y438-F520 HydrophobicContact CE2-CE2 4.12Å; Y438-F520 HydrophobicContact CE2-CZ 4.26Å; Y438-F520 HydrophobicContact CG-CE2 4.47Å; L441-F520 HydrophobicContact CB-CD1 4.09Å; L441-F520 HydrophobicContact CB-CD2 4.35Å; L441-F520 HydrophobicContact CB-CE1 3.67Å; L441-F520 HydrophobicContact CB-CE2 3.97Å; L441-F520 HydrophobicContact CB-CG 4.4Å; L441-F520 HydrophobicContact CB-CZ 3.6Å; L441-F520 HydrophobicContact CD1-CB 4.46Å; L441-F520 HydrophobicContact CD1-CD1 4.44Å; L441-F520 HydrophobicContact CD1-CD2 3.65Å; L441-F520 HydrophobicContact CD1-CE2 3.89Å; L441-F520 HydrophobicContact CD1-CG 3.95Å; L441-F520 HydrophobicContact CD1-CZ 4.38Å; K442-F520 HydrophobicContact CD-CE1 3.99Å; K442-F520 HydrophobicContact CD-CZ 3.93Å; K442-F520 HydrophobicContact CG-CE1 4.44Å; K442-F520 HydrophobicContact CG-CZ 3.98Å; K445-F520 HydrophobicContact CD-CD1 4.16Å; K445-F520 HydrophobicContact CD-CE1 4.25Å; Y455-F520 HydrophobicContact CD1-CB 3.95Å; Y455-F520 HydrophobicContact CG-CB 4.36Å; L517-F520 HydrophobicContact CD2-CD2 4.11Å; L517-F520 HydrophobicContact CD2-CE2 4.07Å; L517-F520 PolarHBondContact O-N 3.36Å; S518-F520 PolarHBondContact O-N 3.41Å
521	L	87	Confident	70.4	Confident	99 Å²	99	119.1 Å²	119.1	52%	0.518	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.4	-24.1	179.9	-58.1	178	0	0	0	112.2	Y455 P457 S518	Y455-L521 HydrophobicContact CD1-CD2 3.68Å; Y455-L521 HydrophobicContact CD1-CG 4.38Å; Y455-L521 HydrophobicContact CE1-CD2 3.98Å; P457-L521 HydrophobicContact CG-CD1 4.39Å; P457-L521 HydrophobicContact CG-CD2 3.88Å; S518-L521 PolarHBondContact O-N 2.99Å
522	E	72.6	Confident	69	Low	139 Å²	139	120.9 Å²	120.9	65%	0.65	61%	0.609	S	S	*	*	S	Bend	trans	-76.7	134.6	176.1	-66.6	165.7	-160.5	0	0	109.4	E524	E522-E524 PolarHBondContact O-N 3.17Å
523	S	58.1	Low	68.1	Low	95 Å²	95	112.5 Å²	112.5	66%	0.664	58%	0.584	S	S	*	*			trans	-65.7	121.5	177.1	45.7	0	0	0	0	109.8	D525	S523-D525 PolarHBondContact O-N 3.29Å
524	E	55.9	Low	67.5	Low	116 Å²	116	116.1 Å²	116.1	54%	0.542	59%	0.586	S	S	.	*	G	3₁₀ helix	trans	-61.2	-4	-178.9	-72.7	-170.2	-174.5	0	0	114	K445 E522 G526 E527	K445-E524 IonicContact NZ-OE1 2.68Å; K445-E524 PolarHBondContact NZ-OE1 2.84Å; E522-E524 PolarHBondContact O-N 3.17Å; E524-G526 PolarHBondContact O-N 3.48Å; E524-G526 VanDerWaalsContact O-N 3.1Å; E524-E527 PolarHBondContact O-N 2.97Å
525	D	49.3	Very low	67.2	Low	139 Å²	139	110.6 Å²	110.6	74%	0.743	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-58.2	-21.5	179.9	-72.5	-29	0	0	0	114.3	S523	S523-D525 PolarHBondContact O-N 3.29Å
526	G	45.3	Very low	67	Low	62 Å²	62	110.2 Å²	110.2	64%	0.639	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-89.6	-18.9	-178.4	0	0	0	0	0	116.5	E524	E524-G526 PolarHBondContact O-N 3.48Å; E524-G526 VanDerWaalsContact O-N 3.1Å
527	E	47.8	Very low	66.6	Low	159 Å²	159	109.9 Å²	109.9	74%	0.743	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-17.5	-175.2	-80.2	-163.1	150.7	0	0	114	E524 E529 Q530	E524-E527 PolarHBondContact O-N 2.97Å; E527-E529 PolarHBondContact O-N 3.33Å; E527-Q530 PolarHBondContact O-N 3.03Å; E527-Q530 VanDerWaalsContact O-N 3.15Å
528	L	47.9	Very low	66.1	Low	129 Å²	129	111.6 Å²	111.6	68%	0.675	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-64	-25.6	-178	-80.1	160.7	0	0	0	113.5	Q530	L528-Q530 VanDerWaalsContact C-N 3.32Å; L528-Q530 PolarHBondContact O-N 3.06Å
529	E	45.5	Very low	65.5	Low	183 Å²	183	112.6 Å²	112.6	86%	0.855	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-70.5	-23.1	176.3	-86.2	-173.2	153.1	0	0	113.7	E527	E527-E529 PolarHBondContact O-N 3.33Å
530	Q	44	Very low	65.4	Low	177 Å²	177	118.3 Å²	118.3	83%	0.827	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-93.6	-4	-177.2	-84.9	174.2	22.5	0	0	114.9	E527 L528	E527-Q530 PolarHBondContact O-N 3.03Å; E527-Q530 VanDerWaalsContact O-N 3.15Å; L528-Q530 VanDerWaalsContact C-N 3.32Å; L528-Q530 PolarHBondContact O-N 3.06Å
531	Q	50.7	Low	65.4	Low	150 Å²	150	119 Å²	119	70%	0.701	60%	0.604	S	S	*	*			trans	-119.5	43.1	179.9	-154.6	166.5	-27.3	0	0	112.3	T533	Q531-T533 VanDerWaalsContact C-N 3.31Å; Q531-T533 PolarHBondContact O-N 3.04Å
532	R	54.9	Low	65.5	Low	223 Å²	223	117.7 Å²	117.7	84%	0.842	59%	0.592	S	S	*	*			trans	-61.7	103.7	154.9	-88.6	-171.3	-175.5	172.7	4.3	107.5	Y534	R532-Y534 PolarHBondContact O-N 3.09Å
533	T	63.7	Low	66.3	Low	61 Å²	61	115.7 Å²	115.7	37%	0.374	58%	0.582	S	S	.	*			trans	-47.6	116.7	167.1	-37.5	0	0	0	0	107	I505 L506 Q531 V535	I505-T533 WeakPolarHBondContact O-CG2 3.38Å; L506-T533 HydrophobicContact CD2-CG2 3.94Å; Q531-T533 VanDerWaalsContact C-N 3.31Å; Q531-T533 PolarHBondContact O-N 3.04Å; T533-V535 WeakPolarHBondContact O-CG2 3.5Å; T533-V535 PolarHBondContact O-N 2.96Å
534	Y	71.7	Confident	67.8	Low	188 Å²	188	113.4 Å²	113.4	74%	0.737	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-63.2	110.9	175.1	-71.7	-82.6	0	0	0	107.3	I505 R532	I505-Y534 PolarHBondContact N-O 3.12Å; R532-Y534 PolarHBondContact O-N 3.09Å
535	V	80.3	Confident	69.2	Low	75 Å²	75	110.8 Å²	110.8	46%	0.455	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108	124.4	175.8	-173.5	0	0	0	0	107.4	V502 T503 H504 T533	V502-V535 HydrophobicContact CG1-CG1 3.96Å; T503-V535 WeakPolarHBondContact O-CA 3.18Å; H504-V535 WeakPolarHBondContact ND1-CG2 3.3Å; T533-V535 WeakPolarHBondContact O-CG2 3.5Å; T533-V535 PolarHBondContact O-N 2.96Å
536	S	85.7	Confident	70.9	Confident	83 Å²	83	110.2 Å²	110.2	58%	0.58	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.7	132.6	170.1	-178.3	0	0	0	0	109	V502 T503	V502-S536 WeakPolarHBondContact CA-O 3.09Å; T503-S536 PolarHBondContact N-O 3.34Å; T503-S536 PolarHBondContact O-N 3.3Å
537	G	82.7	Confident	72.9	Confident	45 Å²	45	110 Å²	110	46%	0.464	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	94.9	-171.5	-177.3	0	0	0	0	0	114.6
538	H	78.8	Confident	74.9	Confident	97 Å²	97	107 Å²	107	45%	0.449	54%	0.536	S	S	.	.			trans	-108.6	112.8	-171.7	-61.8	-87.4	0	0	0	112.3	T500 V502 Y542	T500-H538 PolarHBondContact OG1-O 3.01Å; T500-H538 VanDerWaalsContact OG1-O 3.11Å; V502-H538 VanDerWaalsContact CG2-C 3.46Å; V502-H538 WeakPolarHBondContact CG2-O 3.33Å; H538-Y542 HydrophobicContact CB-CE2 3.91Å; H538-Y542 PolarHBondContact CE1-OH 3.44Å; H538-Y542 AromaticContact ND1-CE2 3.93Å; H538-Y542 AromaticContact ND1-CZ 3.67Å; H538-Y542 PolarHBondContact ND1-OH 3.49Å
539	N	77	Confident	76.9	Confident	75 Å²	75	106.4 Å²	106.4	40%	0.401	53%	0.531	S	S	.	.			trans	-113.5	35.4	177.3	-159.9	23.2	0	0	0	113	V502	V502-N539 HydrophobicContact CG1-CB 3.98Å; V502-N539 HydrophobicContact CG2-CB 3.98Å
540	R	85.5	Confident	79	Confident	173 Å²	173	99.6 Å²	99.6	65%	0.653	50%	0.503	S	S	*	.	S	Bend	trans	-123.5	158.5	176	72.6	-177.5	78.2	-137.5	4.4	109.5	Y542	R540-Y542 HydrophobicContact CG-CD2 4.44Å; R540-Y542 HydrophobicContact CG-CE1 4.14Å; R540-Y542 HydrophobicContact CG-CE2 3.86Å
541	L	88.8	Confident	81.2	Confident	31 Å²	31	92.4 Å²	92.4	16%	0.162	47%	0.47	C	S	.	.			trans	-83.1	127.8	170.2	-172.5	61.3	0	0	0	109	P480 Q481 H484 F543 P550	P480-L541 HydrophobicContact CB-CB 4.02Å; P480-L541 HydrophobicContact CB-CD1 4.43Å; Q481-L541 HydrophobicContact CG-CD1 3.56Å; H484-L541 WeakPolarHBondContact CE1-CD2 3.35Å; H484-L541 WeakPolarHBondContact ND1-CD2 3.45Å; L541-F543 HydrophobicContact CB-CE2 4.19Å; L541-F543 HydrophobicContact CD2-CE1 4.34Å; L541-F543 HydrophobicContact CD2-CE2 3.97Å; L541-F543 HydrophobicContact CD2-CZ 3.64Å; L541-F543 HydrophobicContact CG-CE2 3.93Å; L541-F543 HydrophobicContact CG-CZ 4.09Å; L541-P550 HydrophobicContact CD1-CB 4.28Å; L541-P550 HydrophobicContact CD2-CB 4.19Å; L541-P550 HydrophobicContact CG-CB 4.47Å
542	Y	89.3	Confident	82.9	Confident	72 Å²	72	92.7 Å²	92.7	28%	0.282	47%	0.465	S	S	.	.			trans	-91.1	155.8	170.9	-71.6	-74.8	0	0	0	110	H538 R540 L551 M556	H538-Y542 HydrophobicContact CB-CE2 3.91Å; H538-Y542 PolarHBondContact CE1-OH 3.44Å; H538-Y542 AromaticContact ND1-CE2 3.93Å; H538-Y542 AromaticContact ND1-CZ 3.67Å; H538-Y542 PolarHBondContact ND1-OH 3.49Å; R540-Y542 HydrophobicContact CG-CD2 4.44Å; R540-Y542 HydrophobicContact CG-CE1 4.14Å; R540-Y542 HydrophobicContact CG-CE2 3.86Å; Y542-L551 WeakPolarHBondContact O-CB 3.45Å; Y542-L551 PolarHBondContact O-N 3.41Å; Y542-M556 HydrophobicContact CD2-SD 3.85Å; Y542-M556 HydrophobicContact CE2-SD 4.08Å
543	F	89.6	Confident	84.5	Confident	97 Å²	97	82.6 Å²	82.6	43%	0.425	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-129.3	145	177.8	-68.3	-96.4	0	0	0	108.4	H484 L541 C548 M549 P550	H484-F543 AromaticContact NE2-CZ 3.84Å; L541-F543 HydrophobicContact CB-CE2 4.19Å; L541-F543 HydrophobicContact CD2-CE1 4.34Å; L541-F543 HydrophobicContact CD2-CE2 3.97Å; L541-F543 HydrophobicContact CD2-CZ 3.64Å; L541-F543 HydrophobicContact CG-CE2 3.93Å; L541-F543 HydrophobicContact CG-CZ 4.09Å; F543-C548 VanDerWaalsContact CD1-O 3.22Å; F543-C548 WeakPolarHBondContact CD1-O 3.28Å; F543-M549 CarbonylContact C-O 3.53Å; F543-M549 WeakPolarHBondContact CA-O 3.5Å; F543-P550 HydrophobicContact CD1-CG 4.38Å; F543-P550 HydrophobicContact CE1-CB 4.45Å; F543-P550 HydrophobicContact CE1-CG 3.95Å
544	H	88.8	Confident	85.6	Confident	46 Å²	46	84.3 Å²	84.3	21%	0.213	43%	0.432	C	S	.	.			trans	-61	137.7	166.1	-66.6	-85.1	0	0	0	109.2	D546 S547 C548 M549 L551 E555	H544-D546 WeakPolarHBondContact CB-OD1 3.39Å; H544-S547 VanDerWaalsContact CB-OG 3.25Å; H544-S547 WeakPolarHBondContact CB-OG 3.14Å; H544-C548 VanDerWaalsContact O-CA 3.28Å; H544-C548 WeakPolarHBondContact O-CA 3.4Å; H544-C548 PolarHBondContact O-N 2.89Å; H544-M549 PolarHBondContact CD2-O 3.48Å; H544-M549 PolarHBondContact N-O 3.49Å; H544-L551 WeakPolarHBondContact CE1-CD1 2.88Å; H544-L551 WeakPolarHBondContact NE2-CD1 3.23Å; H544-E555 IonicContact CE1-OE2 3.98Å; H544-E555 IonicContact NE2-OE2 3.52Å
545	S	85.9	Confident	86.3	Confident	61 Å²	61	78.6 Å²	78.6	43%	0.427	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-35.1	-174.1	52.3	0	0	0	0	113.4	E561	S545-E561 WeakPolarHBondContact CB-OE1 3.38Å; S545-E561 VanDerWaalsContact OG-CG 3.23Å; S545-E561 WeakPolarHBondContact OG-CG 3.39Å; S545-E561 PolarHBondContact OG-OE1 2.82Å
546	D	84.2	Confident	86.4	Confident	127 Å²	127	78.3 Å²	78.3	68%	0.679	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-39.2	-179.1	62.3	-11.6	0	0	0	113.5	H544	H544-D546 WeakPolarHBondContact CB-OD1 3.39Å
547	S	87.9	Confident	86.1	Confident	59 Å²	59	80.6 Å²	80.6	41%	0.413	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-10.6	-166.8	55.4	0	0	0	0	113.2	H544 M549	H544-S547 VanDerWaalsContact CB-OG 3.25Å; H544-S547 WeakPolarHBondContact CB-OG 3.14Å; S547-M549 PolarHBondContact O-N 3.15Å; S547-M549 VanDerWaalsContact O-N 3.1Å
548	C	89.9	Confident	85.8	Confident	96 Å²	96	83.8 Å²	83.8	65%	0.649	42%	0.423	S	S	*	.			trans	53.1	27.7	-173.5	-63.2	0	0	0	0	112.8	F543 H544	F543-C548 VanDerWaalsContact CD1-O 3.22Å; F543-C548 WeakPolarHBondContact CD1-O 3.28Å; H544-C548 VanDerWaalsContact O-CA 3.28Å; H544-C548 WeakPolarHBondContact O-CA 3.4Å; H544-C548 PolarHBondContact O-N 2.89Å
549	M	89.6	Confident	85.6	Confident	115 Å²	115	84.2 Å²	84.2	57%	0.567	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-92	147.9	178.7	-71	-64.8	-72.6	0	0	111	F543 H544 S547 L551	F543-M549 CarbonylContact C-O 3.53Å; F543-M549 WeakPolarHBondContact CA-O 3.5Å; H544-M549 PolarHBondContact CD2-O 3.48Å; H544-M549 PolarHBondContact N-O 3.49Å; S547-M549 PolarHBondContact O-N 3.15Å; S547-M549 VanDerWaalsContact O-N 3.1Å; M549-L551 PolarHBondContact O-N 2.59Å
550	P	90.2	Very high	85.3	Confident	40 Å²	40	83.5 Å²	83.5	26%	0.26	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-60.4	125.6	179.9	-23.8	33.4	0	0	0	112.9	H484 L541 F543	H484-P550 HydrophobicContact CB-CG 3.78Å; L541-P550 HydrophobicContact CD1-CB 4.28Å; L541-P550 HydrophobicContact CD2-CB 4.19Å; L541-P550 HydrophobicContact CG-CB 4.47Å; F543-P550 HydrophobicContact CD1-CG 4.38Å; F543-P550 HydrophobicContact CE1-CB 4.45Å; F543-P550 HydrophobicContact CE1-CG 3.95Å
551	L	89.2	Confident	84.5	Confident	27 Å²	27	81.4 Å²	81.4	14%	0.141	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-80.1	129.8	179.1	-172.1	67.5	0	0	0	110.9	Q481 Y542 H544 M549 E555 M556	Q481-L551 PolarHBondContact NE2-O 3.1Å; Y542-L551 WeakPolarHBondContact O-CB 3.45Å; Y542-L551 PolarHBondContact O-N 3.41Å; H544-L551 WeakPolarHBondContact CE1-CD1 2.88Å; H544-L551 WeakPolarHBondContact NE2-CD1 3.23Å; M549-L551 PolarHBondContact O-N 2.59Å; L551-E555 HydrophobicContact CD1-CB 3.64Å; L551-E555 HydrophobicContact CG-CB 4.38Å; L551-M556 HydrophobicContact CD2-CB 4.12Å; L551-M556 HydrophobicContact CD2-CG 4.16Å
552	R	87.7	Confident	83.9	Confident	155 Å²	155	86.1 Å²	86.1	59%	0.585	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-80.4	155.3	177.8	-59.1	-177.2	177.9	172.3	-0.5	111.4	Q554 E555 M556	R552-Q554 PolarHBondContact O-N 3.03Å; R552-Q554 VanDerWaalsContact O-N 3.09Å; R552-E555 HydrophobicContact CB-CG 4.26Å; R552-E555 VanDerWaalsContact CB-OE2 3.28Å; R552-E555 WeakPolarHBondContact CB-OE2 3.28Å; R552-E555 WeakPolarHBondContact CD-OE1 3.25Å; R552-E555 WeakPolarHBondContact CG-OE2 3.22Å; R552-E555 PolarHBondContact N-OE2 2.98Å; R552-E555 PolarHBondContact O-N 2.98Å; R552-M556 PolarHBondContact O-N 3.42Å
553	P	87.6	Confident	83.5	Confident	12 Å²	12	89.5 Å²	89.5	8%	0.078	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.6	-176	-16.8	35.9	0	0	0	113.1	Q481 T500	Q481-P553 VanDerWaalsContact NE2-CG 3.33Å; T500-P553 HydrophobicContact CG2-CB 4.08Å
554	Q	86.8	Confident	83.1	Confident	97 Å²	97	93.6 Å²	93.6	45%	0.453	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-23.9	173.9	-59.3	82	-1.2	0	0	112.9	K498 R552	K498-Q554 HydrophobicContact CD-CG 4.1Å; R552-Q554 PolarHBondContact O-N 3.03Å; R552-Q554 VanDerWaalsContact O-N 3.09Å
555	E	86.3	Confident	83	Confident	67 Å²	67	93.1 Å²	93.1	31%	0.313	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-20	-177.2	-68.2	155.2	-172.5	0	0	111.1	H544 L551 R552 D557 V558	H544-E555 IonicContact CE1-OE2 3.98Å; H544-E555 IonicContact NE2-OE2 3.52Å; L551-E555 HydrophobicContact CD1-CB 3.64Å; L551-E555 HydrophobicContact CG-CB 4.38Å; R552-E555 HydrophobicContact CB-CG 4.26Å; R552-E555 VanDerWaalsContact CB-OE2 3.28Å; R552-E555 WeakPolarHBondContact CB-OE2 3.28Å; R552-E555 WeakPolarHBondContact CD-OE1 3.25Å; R552-E555 WeakPolarHBondContact CG-OE2 3.22Å; R552-E555 PolarHBondContact N-OE2 2.98Å; R552-E555 PolarHBondContact O-N 2.98Å; E555-D557 PolarHBondContact O-N 3.4Å; E555-V558 PolarHBondContact O-N 2.89Å
556	M	83.1	Confident	83.2	Confident	69 Å²	69	91.5 Å²	91.5	34%	0.34	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.9	-178.5	-164.8	174	66.5	0	0	114.6	T500 Y542 L551 R552 V558	T500-M556 HydrophobicContact CG2-CE 3.5Å; T500-M556 HydrophobicContact CG2-SD 4.08Å; Y542-M556 HydrophobicContact CD2-SD 3.85Å; Y542-M556 HydrophobicContact CE2-SD 4.08Å; L551-M556 HydrophobicContact CD2-CB 4.12Å; L551-M556 HydrophobicContact CD2-CG 4.16Å; R552-M556 PolarHBondContact O-N 3.42Å; M556-V558 VanDerWaalsContact C-N 3.3Å
557	D	79.4	Confident	83.5	Confident	132 Å²	132	92.1 Å²	92.1	71%	0.706	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-11.4	177.3	-61.3	-35.1	0	0	0	112.4	E555	E555-D557 PolarHBondContact O-N 3.4Å
558	V	75.7	Confident	83.6	Confident	112 Å²	112	96.8 Å²	96.8	68%	0.679	48%	0.478	S	S	*	.	S	Bend	trans	-115.6	122	-179.8	-177.4	0	0	0	0	108.8	E555 M556 S560	E555-V558 PolarHBondContact O-N 2.89Å; M556-V558 VanDerWaalsContact C-N 3.3Å; V558-S560 PolarHBondContact O-N 3.48Å
559	D	76	Confident	83.7	Confident	105 Å²	105	95 Å²	95	56%	0.561	46%	0.461	S	S	*	.			trans	-80.4	117.6	175	-167.6	-7.5	0	0	0	109.8	E561 D562	D559-E561 PolarHBondContact O-N 3.07Å; D559-E561 PolarHBondContact OD1-N 2.9Å; D559-D562 HydrophobicContact CB-CB 4.16Å
560	S	69.9	Low	83.9	Confident	60 Å²	60	94.2 Å²	94.2	42%	0.42	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-13.2	177.5	52.3	0	0	0	0	113.2	V558	V558-S560 PolarHBondContact O-N 3.48Å
561	E	69.3	Low	84.1	Confident	129 Å²	129	98.5 Å²	98.5	60%	0.603	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-2.6	-178.3	-59.1	-164.4	146.2	0	0	114.3	S545 D559 E563	S545-E561 WeakPolarHBondContact CB-OE1 3.38Å; S545-E561 VanDerWaalsContact OG-CG 3.23Å; S545-E561 WeakPolarHBondContact OG-CG 3.39Å; S545-E561 PolarHBondContact OG-OE1 2.82Å; D559-E561 PolarHBondContact O-N 3.07Å; D559-E561 PolarHBondContact OD1-N 2.9Å; E561-E563 PolarHBondContact O-N 3.18Å
562	D	75.4	Confident	84.4	Confident	131 Å²	131	101.9 Å²	101.9	70%	0.701	48%	0.482	S	S	*	.			trans	-79.4	19.4	-173.7	-160.8	31.5	0	0	0	113.9	D559 R564	D559-D562 HydrophobicContact CB-CB 4.16Å; D562-R564 PolarHBondContact O-N 3.37Å
563	E	80.6	Confident	84.7	Confident	142 Å²	142	95.7 Å²	95.7	66%	0.664	46%	0.461	S	S	*	.			trans	-79.1	118.1	176.7	-67.8	-167.4	172.6	0	0	111.6	E561	E561-E563 PolarHBondContact O-N 3.18Å
564	R	81.4	Confident	84.9	Confident	183 Å²	183	96.2 Å²	96.2	69%	0.691	47%	0.467	S	S	*	.	S	Bend	trans	-78.4	-30.8	178.5	-67.3	-165.4	-66	-116.9	1	114	D562 P566	D562-R564 PolarHBondContact O-N 3.37Å; R564-P566 VanDerWaalsContact C-CD 3.45Å; R564-P566 WeakPolarHBondContact O-CD 3.3Å
565	D	86.8	Confident	85.3	Confident	36 Å²	36	94.8 Å²	94.8	19%	0.193	47%	0.465	C	S	.	.	S	Bend	trans	-120.2	65	-176.8	68.4	-50.8	0	0	0	112.2	R570 M599	D565-R570 IonicContact OD2-NH1 3.22Å; D565-R570 PolarHBondContact OD2-NH1 3.37Å; D565-M599 HydrophobicContact CB-CB 4.32Å
566	P	90.1	Very high	85.6	Confident	27 Å²	27	96.3 Å²	96.3	18%	0.175	47%	0.472	C	S	.	.			trans	-62.8	144.4	-174	28.3	-36	0	0	0	111.4	R564 W568 L569 R570	R564-P566 VanDerWaalsContact C-CD 3.45Å; R564-P566 WeakPolarHBondContact O-CD 3.3Å; P566-W568 VanDerWaalsContact C-N 3.32Å; P566-W568 PolarHBondContact O-N 3.04Å; P566-L569 HydrophobicContact CG-CB 3.9Å; P566-L569 HydrophobicContact CG-CD2 4.41Å; P566-L569 WeakPolarHBondContact O-CB 3.36Å; P566-L569 PolarHBondContact O-N 3.09Å; P566-R570 PolarHBondContact O-N 3.29Å
567	E	89.9	Confident	86.1	Confident	141 Å²	141	94 Å²	94	66%	0.659	46%	0.461	S	S	*	.	H	α-helix	trans	-53.9	-45.3	-171	-176	173.7	-148.6	0	0	113.2	L569 R570 E571	E567-L569 PolarHBondContact O-N 3.27Å; E567-R570 WeakPolarHBondContact O-CB 3.2Å; E567-R570 PolarHBondContact O-N 3.4Å; E567-R570 VanDerWaalsContact O-N 3.11Å; E567-E571 PolarHBondContact O-N 2.99Å
568	W	91.1	Very high	86.8	Confident	157 Å²	157	91 Å²	91	60%	0.595	45%	0.445	S	S	*	.	H	α-helix	trans	-59.9	-32.4	179.2	75.1	-88.7	0	0	0	112.9	P566 K572	P566-W568 VanDerWaalsContact C-N 3.32Å; P566-W568 PolarHBondContact O-N 3.04Å; W568-K572 HydrophobicContact CE3-CD 4.45Å; W568-K572 HydrophobicContact CZ3-CD 4.03Å; W568-K572 WeakPolarHBondContact O-CB 3.39Å; W568-K572 PolarHBondContact O-N 2.79Å
569	L	92.6	Very high	87.7	Confident	59 Å²	59	93.1 Å²	93.1	31%	0.309	45%	0.447	S	S	.	.	H	α-helix	trans	-76.3	-34.1	179.4	-173.7	62.4	0	0	0	111	P566 E567 T573 M599	P566-L569 HydrophobicContact CG-CB 3.9Å; P566-L569 HydrophobicContact CG-CD2 4.41Å; P566-L569 WeakPolarHBondContact O-CB 3.36Å; P566-L569 PolarHBondContact O-N 3.09Å; E567-L569 PolarHBondContact O-N 3.27Å; L569-T573 WeakPolarHBondContact O-CB 3.49Å; L569-T573 PolarHBondContact O-N 3.36Å; L569-T573 PolarHBondContact O-OG1 2.9Å; L569-M599 HydrophobicContact CB-CE 3.95Å; L569-M599 HydrophobicContact CD2-CE 3.66Å; L569-M599 HydrophobicContact CG-CE 3.48Å; L569-M599 VanDerWaalsContact CG-CE 3.48Å
570	R	93.7	Very high	88.5	Confident	98 Å²	98	93 Å²	93	37%	0.37	44%	0.442	S	S	.	.	H	α-helix	trans	-64.2	-48.4	174	-62.3	-167.3	-54.2	-153.3	1	111	D565 P566 E567 T573 A574 L596 M599	D565-R570 IonicContact OD2-NH1 3.22Å; D565-R570 PolarHBondContact OD2-NH1 3.37Å; P566-R570 PolarHBondContact O-N 3.29Å; E567-R570 WeakPolarHBondContact O-CB 3.2Å; E567-R570 PolarHBondContact O-N 3.4Å; E567-R570 VanDerWaalsContact O-N 3.11Å; R570-T573 PolarHBondContact O-N 3.22Å; R570-A574 PolarHBondContact O-N 3.45Å; R570-L596 HydrophobicContact CB-CD2 3.51Å; R570-L596 HydrophobicContact CG-CD2 3.72Å; R570-M599 HydrophobicContact CG-CE 3.94Å
571	E	94.1	Very high	89.6	Confident	129 Å²	129	97 Å²	97	60%	0.603	46%	0.464	S	S	*	.	H	α-helix	trans	-63.2	-44.1	177.4	-172.7	179.2	-174.1	0	0	111.6	E567 T573 A574 T575	E567-E571 PolarHBondContact O-N 2.99Å; E571-T573 VanDerWaalsContact C-N 3.34Å; E571-T573 PolarHBondContact O-N 3.27Å; E571-A574 PolarHBondContact O-N 3.46Å; E571-T575 HydrophobicContact CG-CG2 4.45Å; E571-T575 WeakPolarHBondContact O-CB 3.1Å; E571-T575 WeakPolarHBondContact O-CG2 3.43Å; E571-T575 PolarHBondContact O-N 3.27Å; E571-T575 PolarHBondContact O-OG1 3.48Å
572	K	94.2	Very high	90.8	Very high	98 Å²	98	97.2 Å²	97.2	43%	0.426	47%	0.469	S	S	.	.	H	α-helix	trans	-60.2	-42.9	175.7	-175.6	175.9	180	-179.7	0	112.3	W568 A574 T575 Q576	W568-K572 HydrophobicContact CE3-CD 4.45Å; W568-K572 HydrophobicContact CZ3-CD 4.03Å; W568-K572 WeakPolarHBondContact O-CB 3.39Å; W568-K572 PolarHBondContact O-N 2.79Å; K572-A574 VanDerWaalsContact C-N 3.34Å; K572-T575 WeakPolarHBondContact CA-OG1 3.44Å; K572-T575 PolarHBondContact O-OG1 2.95Å; K572-Q576 HydrophobicContact CG-CG 4.35Å; K572-Q576 VanDerWaalsContact O-CB 3.31Å; K572-Q576 WeakPolarHBondContact O-CB 3.4Å; K572-Q576 WeakPolarHBondContact O-CG 3.39Å; K572-Q576 PolarHBondContact O-N 3.3Å
573	T	94	Very high	91.6	Very high	25 Å²	25	92.6 Å²	92.6	15%	0.153	45%	0.446	C	S	.	.	H	α-helix	trans	-63.8	-42.3	178.3	-59	0	0	0	0	111	L569 R570 E571 L577 N595 M599	L569-T573 WeakPolarHBondContact O-CB 3.49Å; L569-T573 PolarHBondContact O-N 3.36Å; L569-T573 PolarHBondContact O-OG1 2.9Å; R570-T573 PolarHBondContact O-N 3.22Å; E571-T573 VanDerWaalsContact C-N 3.34Å; E571-T573 PolarHBondContact O-N 3.27Å; T573-L577 WeakPolarHBondContact O-CG 3.39Å; T573-L577 PolarHBondContact O-N 2.99Å; T573-N595 HydrophobicContact CG2-CB 4.04Å; T573-M599 HydrophobicContact CG2-SD 4.35Å
574	A	93.3	Very high	92.2	Very high	24 Å²	24	89.2 Å²	89.2	20%	0.198	43%	0.432	C	S	.	.	H	α-helix	trans	-66.4	-46.8	178.5	0	0	0	0	0	112.5	R570 E571 K572 L577 D578 K592	R570-A574 PolarHBondContact O-N 3.45Å; E571-A574 PolarHBondContact O-N 3.46Å; K572-A574 VanDerWaalsContact C-N 3.34Å; A574-L577 PolarHBondContact O-N 2.91Å; A574-D578 PolarHBondContact O-N 3.48Å; A574-K592 HydrophobicContact CB-CD 4.25Å; A574-K592 HydrophobicContact CB-CG 4.44Å; A574-K592 WeakPolarHBondContact O-CE 3.49Å
575	T	93.6	Very high	92.7	Very high	67 Å²	67	86.3 Å²	86.3	41%	0.411	43%	0.427	S	S	.	.	H	α-helix	trans	-65.4	-39.3	179.3	48.3	0	0	0	0	112.6	E571 K572 L577 D578 E579	E571-T575 HydrophobicContact CG-CG2 4.45Å; E571-T575 WeakPolarHBondContact O-CB 3.1Å; E571-T575 WeakPolarHBondContact O-CG2 3.43Å; E571-T575 PolarHBondContact O-N 3.27Å; E571-T575 PolarHBondContact O-OG1 3.48Å; K572-T575 WeakPolarHBondContact CA-OG1 3.44Å; K572-T575 PolarHBondContact O-OG1 2.95Å; T575-L577 VanDerWaalsContact C-N 3.27Å; T575-L577 PolarHBondContact O-N 3.03Å; T575-D578 WeakPolarHBondContact O-CB 3.47Å; T575-D578 PolarHBondContact O-N 3.45Å; T575-D578 VanDerWaalsContact O-N 3.1Å; T575-E579 PolarHBondContact O-N 3.46Å
576	Q	94.1	Very high	93	Very high	99 Å²	99	85.2 Å²	85.2	46%	0.463	42%	0.424	S	S	.	.	H	α-helix	trans	-61.6	-34.6	173.7	-77	-175.9	-26.9	0	0	112.7	K572 D578	K572-Q576 HydrophobicContact CG-CG 4.35Å; K572-Q576 VanDerWaalsContact O-CB 3.31Å; K572-Q576 WeakPolarHBondContact O-CB 3.4Å; K572-Q576 WeakPolarHBondContact O-CG 3.39Å; K572-Q576 PolarHBondContact O-N 3.3Å; Q576-D578 VanDerWaalsContact C-N 3.31Å
577	L	94.1	Very high	93.1	Very high	21 Å²	21	86.7 Å²	86.7	11%	0.11	43%	0.429	C	S	.	.	H	α-helix	trans	-71.9	-25.6	175.4	-73.1	170.9	0	0	0	112.7	T573 A574 T575 E579 F580 M591 K592	T573-L577 WeakPolarHBondContact O-CG 3.39Å; T573-L577 PolarHBondContact O-N 2.99Å; A574-L577 PolarHBondContact O-N 2.91Å; T575-L577 VanDerWaalsContact C-N 3.27Å; T575-L577 PolarHBondContact O-N 3.03Å; L577-E579 VanDerWaalsContact C-N 3.35Å; L577-F580 HydrophobicContact CD2-CD2 4.41Å; L577-F580 HydrophobicContact CD2-CE2 4.22Å; L577-M591 HydrophobicContact CD1-CB 4.08Å; L577-M591 HydrophobicContact CD2-CB 4.34Å; L577-M591 HydrophobicContact CD2-SD 4.45Å; L577-K592 HydrophobicContact CB-CG 4.06Å; L577-K592 HydrophobicContact CD1-CB 4.24Å; L577-K592 HydrophobicContact CD1-CG 3.55Å; L577-K592 HydrophobicContact CG-CG 4.46Å
578	D	92.9	Very high	93.3	Very high	69 Å²	69	81 Å²	81	37%	0.369	40%	0.402	S	S	.	.	H	α-helix	trans	-71.2	-29	176.7	-77.7	-39.8	0	0	0	113.4	A574 T575 Q576 F580 K588 K592	A574-D578 PolarHBondContact O-N 3.48Å; T575-D578 WeakPolarHBondContact O-CB 3.47Å; T575-D578 PolarHBondContact O-N 3.45Å; T575-D578 VanDerWaalsContact O-N 3.1Å; Q576-D578 VanDerWaalsContact C-N 3.31Å; D578-F580 PolarHBondContact O-N 3.3Å; D578-K588 PolarHBondContact O-NZ 2.94Å; D578-K592 VanDerWaalsContact OD1-CE 3.28Å; D578-K592 WeakPolarHBondContact OD1-CE 3.23Å; D578-K592 IonicContact OD1-NZ 2.58Å; D578-K592 PolarHBondContact OD1-NZ 3.22Å; D578-K592 IonicContact OD2-NZ 2.8Å; D578-K592 PolarHBondContact OD2-NZ 3.08Å
579	E	94.4	Very high	93.5	Very high	155 Å²	155	75.9 Å²	75.9	72%	0.724	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.5	-179.3	-67.2	-177.8	175.1	0	0	114	T575 L577 T581	T575-E579 PolarHBondContact O-N 3.46Å; L577-E579 VanDerWaalsContact C-N 3.35Å; E579-T581 PolarHBondContact O-N 2.89Å; E579-T581 VanDerWaalsContact O-N 3.17Å
580	F	94.1	Very high	93.6	Very high	103 Å²	103	73.3 Å²	73.3	45%	0.452	37%	0.371	S	S	.	.			trans	-68.4	111.8	177.8	-72.9	-79.1	0	0	0	111.3	L577 D578 D582 V583 K588	L577-F580 HydrophobicContact CD2-CD2 4.41Å; L577-F580 HydrophobicContact CD2-CE2 4.22Å; D578-F580 PolarHBondContact O-N 3.3Å; F580-D582 VanDerWaalsContact C-N 3.34Å; F580-V583 HydrophobicContact CB-CB 4.18Å; F580-V583 HydrophobicContact CB-CG2 3.83Å; F580-V583 HydrophobicContact CG-CG2 4.3Å; F580-K588 WeakPolarHBondContact O-CE 3.31Å; F580-K588 PolarHBondContact O-NZ 3Å
581	T	92.6	Very high	93.7	Very high	144 Å²	144	72.2 Å²	72.2	88%	0.883	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.4	179.5	54	0	0	0	0	113.6	E579	E579-T581 PolarHBondContact O-N 2.89Å; E579-T581 VanDerWaalsContact O-N 3.17Å
582	D	93.6	Very high	93.8	Very high	133 Å²	133	67.2 Å²	67.2	71%	0.711	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	3.1	-174.1	60.8	-30.4	0	0	0	114.1	F580	F580-D582 VanDerWaalsContact C-N 3.34Å
583	V	93.6	Very high	93.9	Very high	34 Å²	34	63.6 Å²	63.6	21%	0.206	33%	0.333	C	S	.	.	S	Bend	trans	-112.6	140	-179.4	-176.4	0	0	0	0	110.3	F580 E587 K588 M591	F580-V583 HydrophobicContact CB-CB 4.18Å; F580-V583 HydrophobicContact CB-CG2 3.83Å; F580-V583 HydrophobicContact CG-CG2 4.3Å; V583-E587 HydrophobicContact CG1-CB 3.59Å; V583-K588 HydrophobicContact CB-CG 4.13Å; V583-K588 HydrophobicContact CG1-CG 3.79Å; V583-K588 WeakPolarHBondContact O-CE 3.41Å; V583-M591 HydrophobicContact CG1-CE 4.31Å; V583-M591 HydrophobicContact CG1-SD 4.43Å
584	N	92.4	Very high	94	Very high	71 Å²	71	63.5 Å²	63.5	38%	0.38	33%	0.329	S	S	.	.			trans	-75.7	155.1	-179.7	81.3	55.7	0	0	0	112.3	G586 E587 K588	N584-G586 PolarHBondContact O-N 3.44Å; N584-G586 WeakPolarHBondContact OD1-CA 3.36Å; N584-G586 PolarHBondContact OD1-N 3.22Å; N584-E587 VanDerWaalsContact CG-OE2 3.27Å; N584-E587 PolarHBondContact N-OE2 3.23Å; N584-E587 VanDerWaalsContact ND2-CG 3.29Å; N584-E587 WeakPolarHBondContact ND2-CG 3.36Å; N584-E587 PolarHBondContact ND2-OE1 3.2Å; N584-E587 PolarHBondContact ND2-OE2 3.37Å; N584-E587 PolarHBondContact O-N 3.41Å; N584-E587 VanDerWaalsContact O-N 3.15Å; N584-E587 PolarHBondContact OD1-N 3.23Å; N584-K588 WeakPolarHBondContact O-CG 3.28Å; N584-K588 PolarHBondContact O-N 3.47Å
585	E	91.7	Very high	94	Very high	122 Å²	122	65.3 Å²	65.3	57%	0.57	34%	0.335	S	S	*	.	H	α-helix	trans	-61.1	-33.1	-175.2	-162.4	59.7	-153.8	0	0	113.2	E589	E585-E589 WeakPolarHBondContact O-CB 3.25Å; E585-E589 PolarHBondContact O-N 2.7Å
586	G	92.9	Very high	94.1	Very high	13 Å²	13	64.6 Å²	64.6	13%	0.134	33%	0.329	C	S	.	.	H	α-helix	trans	-73	-33.6	178	0	0	0	0	0	113.7	N584 V590	N584-G586 PolarHBondContact O-N 3.44Å; N584-G586 WeakPolarHBondContact OD1-CA 3.36Å; N584-G586 PolarHBondContact OD1-N 3.22Å; G586-V590 WeakPolarHBondContact O-CG2 3.46Å; G586-V590 PolarHBondContact O-N 2.88Å
587	E	92.6	Very high	94.1	Very high	59 Å²	59	60.3 Å²	60.3	28%	0.276	31%	0.309	S	S	.	.	H	α-helix	trans	-69.8	-46	172.3	-78.4	168.1	167	0	0	110.4	V583 N584 E589 V590 M591	V583-E587 HydrophobicContact CG1-CB 3.59Å; N584-E587 VanDerWaalsContact CG-OE2 3.27Å; N584-E587 PolarHBondContact N-OE2 3.23Å; N584-E587 VanDerWaalsContact ND2-CG 3.29Å; N584-E587 WeakPolarHBondContact ND2-CG 3.36Å; N584-E587 PolarHBondContact ND2-OE1 3.2Å; N584-E587 PolarHBondContact ND2-OE2 3.37Å; N584-E587 PolarHBondContact O-N 3.41Å; N584-E587 VanDerWaalsContact O-N 3.15Å; N584-E587 PolarHBondContact OD1-N 3.23Å; E587-E589 VanDerWaalsContact C-N 3.32Å; E587-E589 PolarHBondContact O-N 3.29Å; E587-V590 PolarHBondContact O-N 2.9Å; E587-M591 HydrophobicContact CB-CE 4.36Å; E587-M591 WeakPolarHBondContact O-CB 3.1Å; E587-M591 WeakPolarHBondContact O-CG 3.44Å; E587-M591 PolarHBondContact O-N 3.11Å
588	K	94.6	Very high	94.1	Very high	21 Å²	21	61.6 Å²	61.6	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-55.9	-47.5	174.8	-71.2	-177	-179.5	-176.8	0	111.6	D578 F580 V583 N584 V590 M591 K592	D578-K588 PolarHBondContact O-NZ 2.94Å; F580-K588 WeakPolarHBondContact O-CE 3.31Å; F580-K588 PolarHBondContact O-NZ 3Å; V583-K588 HydrophobicContact CB-CG 4.13Å; V583-K588 HydrophobicContact CG1-CG 3.79Å; V583-K588 WeakPolarHBondContact O-CE 3.41Å; N584-K588 WeakPolarHBondContact O-CG 3.28Å; N584-K588 PolarHBondContact O-N 3.47Å; K588-V590 PolarHBondContact O-N 2.89Å; K588-M591 PolarHBondContact O-N 3.23Å; K588-K592 VanDerWaalsContact O-CG 3.28Å; K588-K592 WeakPolarHBondContact O-CG 3.06Å; K588-K592 PolarHBondContact O-N 2.98Å
589	E	94.7	Very high	94.1	Very high	50 Å²	50	60 Å²	60	23%	0.234	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-43.4	179.9	-177.2	63.3	-177.7	0	0	111.9	E585 E587 K592 L593 H623 L629	E585-E589 WeakPolarHBondContact O-CB 3.25Å; E585-E589 PolarHBondContact O-N 2.7Å; E587-E589 VanDerWaalsContact C-N 3.32Å; E587-E589 PolarHBondContact O-N 3.29Å; E589-K592 PolarHBondContact O-N 3.05Å; E589-L593 HydrophobicContact CG-CD1 4.11Å; E589-L593 WeakPolarHBondContact O-CB 3.35Å; E589-L593 WeakPolarHBondContact O-CD1 3.35Å; E589-L593 WeakPolarHBondContact O-CG 3.43Å; E589-L593 PolarHBondContact O-N 3.18Å; E589-H623 IonicContact OE1-CD2 3.87Å; E589-H623 IonicContact OE1-CE1 3.72Å; E589-H623 IonicContact OE1-NE2 2.83Å; E589-H623 PolarHBondContact OE1-NE2 3.38Å; E589-L629 HydrophobicContact CB-CD1 4.02Å; E589-L629 HydrophobicContact CG-CD1 3.5Å; E589-L629 VanDerWaalsContact CG-CD1 3.5Å
590	V	95.6	Very high	94	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-42.7	174.9	171.5	0	0	0	0	111.4	G586 E587 K588 L593 W594 L629 N632 H636	G586-V590 WeakPolarHBondContact O-CG2 3.46Å; G586-V590 PolarHBondContact O-N 2.88Å; E587-V590 PolarHBondContact O-N 2.9Å; K588-V590 PolarHBondContact O-N 2.89Å; V590-L593 PolarHBondContact O-N 2.74Å; V590-W594 WeakPolarHBondContact O-CB 3.44Å; V590-W594 PolarHBondContact O-N 2.94Å; V590-L629 HydrophobicContact CG2-CB 4.09Å; V590-L629 HydrophobicContact CG2-CD1 4.3Å; V590-N632 HydrophobicContact CG2-CB 3.91Å; V590-H636 HydrophobicContact CG1-CB 4.18Å
591	M	95.2	Very high	93.9	Very high	76 Å²	76	56 Å²	56	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-62	-43.8	177.1	-71.8	174.7	-173.2	0	0	112	L577 V583 E587 K588 N595	L577-M591 HydrophobicContact CD1-CB 4.08Å; L577-M591 HydrophobicContact CD2-CB 4.34Å; L577-M591 HydrophobicContact CD2-SD 4.45Å; V583-M591 HydrophobicContact CG1-CE 4.31Å; V583-M591 HydrophobicContact CG1-SD 4.43Å; E587-M591 HydrophobicContact CB-CE 4.36Å; E587-M591 WeakPolarHBondContact O-CB 3.1Å; E587-M591 WeakPolarHBondContact O-CG 3.44Å; E587-M591 PolarHBondContact O-N 3.11Å; K588-M591 PolarHBondContact O-N 3.23Å; M591-N595 VanDerWaalsContact O-CB 3.29Å; M591-N595 WeakPolarHBondContact O-CB 3.41Å; M591-N595 PolarHBondContact O-N 3.29Å
592	K	95.6	Very high	93.9	Very high	24 Å²	24	50.8 Å²	50.8	10%	0.104	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-51.9	176.2	-72.5	176.2	-167.2	179.5	0	110.9	A574 L577 D578 K588 E589 W594 N595 L596	A574-K592 HydrophobicContact CB-CD 4.25Å; A574-K592 HydrophobicContact CB-CG 4.44Å; A574-K592 WeakPolarHBondContact O-CE 3.49Å; L577-K592 HydrophobicContact CB-CG 4.06Å; L577-K592 HydrophobicContact CD1-CB 4.24Å; L577-K592 HydrophobicContact CD1-CG 3.55Å; L577-K592 HydrophobicContact CG-CG 4.46Å; D578-K592 VanDerWaalsContact OD1-CE 3.28Å; D578-K592 WeakPolarHBondContact OD1-CE 3.23Å; D578-K592 IonicContact OD1-NZ 2.58Å; D578-K592 PolarHBondContact OD1-NZ 3.22Å; D578-K592 IonicContact OD2-NZ 2.8Å; D578-K592 PolarHBondContact OD2-NZ 3.08Å; K588-K592 VanDerWaalsContact O-CG 3.28Å; K588-K592 WeakPolarHBondContact O-CG 3.06Å; K588-K592 PolarHBondContact O-N 2.98Å; E589-K592 PolarHBondContact O-N 3.05Å; K592-W594 VanDerWaalsContact C-N 3.34Å; K592-W594 PolarHBondContact O-N 2.88Å; K592-N595 PolarHBondContact O-N 3.48Å; K592-L596 WeakPolarHBondContact O-CB 3.43Å; K592-L596 VanDerWaalsContact O-CG 3.24Å; K592-L596 WeakPolarHBondContact O-CG 3.37Å; K592-L596 PolarHBondContact O-N 3.41Å
593	L	95.8	Very high	93.9	Very high	22 Å²	22	46.4 Å²	46.4	12%	0.115	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-46.3	-179.7	-70.9	169.8	0	0	0	111.6	E589 V590 H597 F616 L620 H623	E589-L593 HydrophobicContact CG-CD1 4.11Å; E589-L593 WeakPolarHBondContact O-CB 3.35Å; E589-L593 WeakPolarHBondContact O-CD1 3.35Å; E589-L593 WeakPolarHBondContact O-CG 3.43Å; E589-L593 PolarHBondContact O-N 3.18Å; V590-L593 PolarHBondContact O-N 2.74Å; L593-H597 WeakPolarHBondContact O-CB 3.48Å; L593-H597 PolarHBondContact O-N 3.01Å; L593-F616 HydrophobicContact CB-CE2 3.98Å; L593-F616 HydrophobicContact CB-CZ 3.96Å; L593-L620 HydrophobicContact CB-CD1 4.21Å; L593-L620 HydrophobicContact CD2-CD1 4.21Å; L593-L620 HydrophobicContact CD2-CD2 4.17Å; L593-H623 VanDerWaalsContact CD1-CD2 3.5Å; L593-H623 WeakPolarHBondContact CD1-CD2 3.29Å
594	W	95.9	Very high	93.8	Very high	23 Å²	23	52.2 Å²	52.2	9%	0.087	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-48	179	179.2	-109.5	0	0	0	111.8	V590 K592 L596 H597 V598 A612 V613 F616 H636 M640	V590-W594 WeakPolarHBondContact O-CB 3.44Å; V590-W594 PolarHBondContact O-N 2.94Å; K592-W594 VanDerWaalsContact C-N 3.34Å; K592-W594 PolarHBondContact O-N 2.88Å; W594-L596 PolarHBondContact O-N 3.05Å; W594-H597 AromaticContact CZ3-CD2 3.91Å; W594-H597 WeakPolarHBondContact O-CB 3.24Å; W594-H597 PolarHBondContact O-N 2.95Å; W594-V598 HydrophobicContact CD2-CG2 4.15Å; W594-V598 HydrophobicContact CG-CG2 4.49Å; W594-V598 HydrophobicContact CZ2-CG2 3.92Å; W594-V598 WeakPolarHBondContact O-CG2 3.45Å; W594-V598 PolarHBondContact O-N 2.96Å; W594-A612 HydrophobicContact CH2-CB 4.09Å; W594-V613 HydrophobicContact CH2-CG2 3.69Å; W594-V613 HydrophobicContact CZ3-CG2 4.04Å; W594-F616 HydrophobicContact CB-CE2 4.35Å; W594-F616 HydrophobicContact CE3-CB 4.24Å; W594-F616 HydrophobicContact CE3-CD1 4.31Å; W594-F616 AromaticContact CE3-CD2 3.72Å; W594-F616 HydrophobicContact CE3-CD2 3.72Å; W594-F616 HydrophobicContact CE3-CE2 4.09Å; W594-F616 AromaticContact CE3-CG 3.84Å; W594-F616 HydrophobicContact CE3-CG 3.84Å; W594-F616 HydrophobicContact CZ3-CB 3.87Å; W594-F616 HydrophobicContact CZ3-CD2 4.21Å; W594-F616 AromaticContact CZ3-CG 3.99Å; W594-F616 HydrophobicContact CZ3-CG 3.99Å; W594-H636 AromaticContact CD1-CE1 3.71Å; W594-H636 AromaticContact CD1-NE2 3.42Å; W594-H636 AromaticContact CD2-NE2 3.46Å; W594-H636 AromaticContact CE2-NE2 3.59Å; W594-H636 AromaticContact CG-NE2 3.36Å; W594-H636 AromaticContact NE1-CE1 3.84Å; W594-H636 AromaticContact NE1-NE2 3.52Å; W594-M640 HydrophobicContact CH2-CE 4.27Å; W594-M640 HydrophobicContact CH2-SD 4.1Å; W594-M640 HydrophobicContact CZ2-CE 4.22Å; W594-M640 HydrophobicContact CZ2-SD 3.62Å
595	N	94.8	Very high	93.9	Very high	61 Å²	61	50.7 Å²	50.7	33%	0.326	26%	0.264	S	S	.	.	H	α-helix	trans	-62.6	-42.3	-179.6	-73	-2.3	0	0	0	112	T573 M591 K592 H597 V598 M599	T573-N595 HydrophobicContact CG2-CB 4.04Å; M591-N595 VanDerWaalsContact O-CB 3.29Å; M591-N595 WeakPolarHBondContact O-CB 3.41Å; M591-N595 PolarHBondContact O-N 3.29Å; K592-N595 PolarHBondContact O-N 3.48Å; N595-H597 VanDerWaalsContact C-N 3.33Å; N595-H597 PolarHBondContact O-N 3.1Å; N595-V598 PolarHBondContact O-N 3.47Å; N595-M599 VanDerWaalsContact O-CG 3.23Å; N595-M599 WeakPolarHBondContact O-CG 3.1Å; N595-M599 PolarHBondContact O-N 3.18Å
596	L	94.4	Very high	93.9	Very high	53 Å²	53	50.5 Å²	50.5	28%	0.277	27%	0.267	S	S	.	.	H	α-helix	trans	-64.3	-37.9	175.9	-68.2	177.9	0	0	0	112.2	R570 K592 W594 M599 K600	R570-L596 HydrophobicContact CB-CD2 3.51Å; R570-L596 HydrophobicContact CG-CD2 3.72Å; K592-L596 WeakPolarHBondContact O-CB 3.43Å; K592-L596 VanDerWaalsContact O-CG 3.24Å; K592-L596 WeakPolarHBondContact O-CG 3.37Å; K592-L596 PolarHBondContact O-N 3.41Å; W594-L596 PolarHBondContact O-N 3.05Å; L596-M599 HydrophobicContact CD2-SD 4.23Å; L596-M599 PolarHBondContact O-N 3.2Å; L596-K600 WeakPolarHBondContact O-CB 3.32Å; L596-K600 PolarHBondContact O-N 3.3Å
597	H	94.8	Very high	93.9	Very high	9 Å²	9	56.4 Å²	56.4	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-64.7	-42.5	174.4	175.8	71.1	0	0	0	112.4	L593 W594 N595 K600 H601 F603 A612 F616 L620	L593-H597 WeakPolarHBondContact O-CB 3.48Å; L593-H597 PolarHBondContact O-N 3.01Å; W594-H597 AromaticContact CZ3-CD2 3.91Å; W594-H597 WeakPolarHBondContact O-CB 3.24Å; W594-H597 PolarHBondContact O-N 2.95Å; N595-H597 VanDerWaalsContact C-N 3.33Å; N595-H597 PolarHBondContact O-N 3.1Å; H597-K600 PolarHBondContact O-N 3.06Å; H597-H601 AromaticContact CE1-CE1 3.44Å; H597-H601 PolarHBondContact CE1-CE1 3.43Å; H597-H601 VanDerWaalsContact CE1-CE1 3.44Å; H597-H601 AromaticContact CE1-ND1 3.41Å; H597-H601 PolarHBondContact CE1-ND1 2.95Å; H597-H601 AromaticContact CG-ND1 3.95Å; H597-H601 AromaticContact ND1-CE1 3.23Å; H597-H601 PolarHBondContact ND1-CE1 2.96Å; H597-H601 AromaticContact ND1-ND1 3.22Å; H597-H601 PolarHBondContact ND1-ND1 3.17Å; H597-H601 PolarHBondContact O-N 3.08Å; H597-H601 PolarHBondContact O-ND1 3.27Å; H597-F603 AromaticContact CD2-CE2 3.83Å; H597-F603 AromaticContact NE2-CE2 3.55Å; H597-F603 AromaticContact NE2-CZ 3.85Å; H597-A612 PolarHBondContact NE2-O 3.42Å; H597-F616 HydrophobicContact CB-CD2 3.74Å; H597-F616 HydrophobicContact CB-CE2 4.2Å; H597-F616 AromaticContact CD2-CD2 3.74Å; H597-F616 AromaticContact CG-CD2 3.71Å; H597-L620 HydrophobicContact CB-CD1 4.44Å
598	V	94	Very high	94	Very high	47 Å²	47	57 Å²	57	29%	0.285	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-44.4	175.4	172.4	0	0	0	0	110.8	W594 N595 K600 H601 G602 F603	W594-V598 HydrophobicContact CD2-CG2 4.15Å; W594-V598 HydrophobicContact CG-CG2 4.49Å; W594-V598 HydrophobicContact CZ2-CG2 3.92Å; W594-V598 WeakPolarHBondContact O-CG2 3.45Å; W594-V598 PolarHBondContact O-N 2.96Å; N595-V598 PolarHBondContact O-N 3.47Å; V598-K600 PolarHBondContact O-N 3.37Å; V598-H601 PolarHBondContact O-N 2.92Å; V598-G602 WeakPolarHBondContact O-CA 3.39Å; V598-G602 PolarHBondContact O-N 3.08Å; V598-F603 HydrophobicContact CG2-CD2 4.49Å
599	M	92.3	Very high	94	Very high	37 Å²	37	57.1 Å²	57.1	18%	0.182	30%	0.299	C	S	.	.	H	α-helix	trans	-60.1	-45.5	177.5	-72.4	171.1	63	0	0	112.3	D565 L569 R570 T573 N595 L596 H601	D565-M599 HydrophobicContact CB-CB 4.32Å; L569-M599 HydrophobicContact CB-CE 3.95Å; L569-M599 HydrophobicContact CD2-CE 3.66Å; L569-M599 HydrophobicContact CG-CE 3.48Å; L569-M599 VanDerWaalsContact CG-CE 3.48Å; R570-M599 HydrophobicContact CG-CE 3.94Å; T573-M599 HydrophobicContact CG2-SD 4.35Å; N595-M599 VanDerWaalsContact O-CG 3.23Å; N595-M599 WeakPolarHBondContact O-CG 3.1Å; N595-M599 PolarHBondContact O-N 3.18Å; L596-M599 HydrophobicContact CD2-SD 4.23Å; L596-M599 PolarHBondContact O-N 3.2Å; M599-H601 PolarHBondContact O-N 3.04Å
600	K	92.2	Very high	94	Very high	118 Å²	118	59.1 Å²	59.1	51%	0.513	31%	0.307	S	S	.	.	H	α-helix	trans	-62.4	-41.8	-178.5	-177.3	177.9	179.5	-176.6	0	112.9	L596 H597 V598	L596-K600 WeakPolarHBondContact O-CB 3.32Å; L596-K600 PolarHBondContact O-N 3.3Å; H597-K600 PolarHBondContact O-N 3.06Å; V598-K600 PolarHBondContact O-N 3.37Å
601	H	92.7	Very high	94	Very high	56 Å²	56	64.1 Å²	64.1	26%	0.259	33%	0.33	S	S	.	.	H	α-helix	trans	-96.5	-20.1	-173.4	-61.3	93.1	0	0	0	113.5	H597 V598 M599 F603	H597-H601 AromaticContact CE1-CE1 3.44Å; H597-H601 PolarHBondContact CE1-CE1 3.43Å; H597-H601 VanDerWaalsContact CE1-CE1 3.44Å; H597-H601 AromaticContact CE1-ND1 3.41Å; H597-H601 PolarHBondContact CE1-ND1 2.95Å; H597-H601 AromaticContact CG-ND1 3.95Å; H597-H601 AromaticContact ND1-CE1 3.23Å; H597-H601 PolarHBondContact ND1-CE1 2.96Å; H597-H601 AromaticContact ND1-ND1 3.22Å; H597-H601 PolarHBondContact ND1-ND1 3.17Å; H597-H601 PolarHBondContact O-N 3.08Å; H597-H601 PolarHBondContact O-ND1 3.27Å; V598-H601 PolarHBondContact O-N 2.92Å; M599-H601 PolarHBondContact O-N 3.04Å; H601-F603 HydrophobicContact CB-CD1 4.37Å; H601-F603 HydrophobicContact CB-CD2 4.1Å; H601-F603 HydrophobicContact CB-CE1 3.83Å; H601-F603 HydrophobicContact CB-CE2 3.51Å; H601-F603 HydrophobicContact CB-CG 4.5Å; H601-F603 HydrophobicContact CB-CZ 3.36Å; H601-F603 AromaticContact CG-CZ 3.8Å
602	G	92	Very high	94	Very high	34 Å²	34	60.5 Å²	60.5	35%	0.351	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	47.3	176.2	0	0	0	0	0	112.9	V598 I604	V598-G602 WeakPolarHBondContact O-CA 3.39Å; V598-G602 PolarHBondContact O-N 3.08Å; G602-I604 WeakPolarHBondContact O-CG1 3.43Å
603	F	94	Very high	94.1	Very high	40 Å²	40	59.4 Å²	59.4	18%	0.175	31%	0.308	C	S	.	.			trans	-64.6	135	175.7	-53.8	-67.4	0	0	0	110.5	H597 V598 H601 Q608 M609 A612 L615	H597-F603 AromaticContact CD2-CE2 3.83Å; H597-F603 AromaticContact NE2-CE2 3.55Å; H597-F603 AromaticContact NE2-CZ 3.85Å; V598-F603 HydrophobicContact CG2-CD2 4.49Å; H601-F603 HydrophobicContact CB-CD1 4.37Å; H601-F603 HydrophobicContact CB-CD2 4.1Å; H601-F603 HydrophobicContact CB-CE1 3.83Å; H601-F603 HydrophobicContact CB-CE2 3.51Å; H601-F603 HydrophobicContact CB-CG 4.5Å; H601-F603 HydrophobicContact CB-CZ 3.36Å; H601-F603 AromaticContact CG-CZ 3.8Å; F603-Q608 HydrophobicContact CD1-CB 4.2Å; F603-M609 HydrophobicContact CB-CE 3.54Å; F603-M609 HydrophobicContact CG-CE 4.29Å; F603-A612 HydrophobicContact CD1-CB 4.02Å; F603-A612 HydrophobicContact CD2-CB 3.63Å; F603-A612 HydrophobicContact CE1-CB 3.88Å; F603-A612 HydrophobicContact CE2-CB 3.47Å; F603-A612 VanDerWaalsContact CE2-CB 3.47Å; F603-A612 HydrophobicContact CG-CB 3.9Å; F603-A612 HydrophobicContact CZ-CB 3.61Å; F603-L615 HydrophobicContact CZ-CD2 4.29Å
604	I	92.1	Very high	94	Very high	157 Å²	157	59.7 Å²	59.7	81%	0.805	31%	0.309	S	S	*	.			trans	-130	-30.5	-172.7	-28	177.3	0	0	0	111.9	G602	G602-I604 WeakPolarHBondContact O-CG1 3.43Å
605	A	93.8	Very high	94	Very high	39 Å²	39	60.4 Å²	60.4	32%	0.322	31%	0.314	S	S	.	.	S	Bend	trans	-105.7	139.3	-174.5	0	0	0	0	0	111.6	N607 Q608	A605-N607 VanDerWaalsContact CB-OD1 3.3Å; A605-N607 WeakPolarHBondContact CB-OD1 3.37Å; A605-N607 PolarHBondContact O-N 3.13Å; A605-Q608 HydrophobicContact CB-CG 4.13Å; A605-Q608 WeakPolarHBondContact O-CB 3.45Å; A605-Q608 PolarHBondContact O-N 3.28Å
606	D	92.7	Very high	94.1	Very high	117 Å²	117	57.5 Å²	57.5	63%	0.626	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-58.6	-34.1	-177.1	-59.8	-17.5	0	0	0	112.7	Q608 M609	D606-Q608 PolarHBondContact O-N 3.28Å; D606-Q608 VanDerWaalsContact O-N 3.09Å; D606-M609 WeakPolarHBondContact O-CB 3.4Å; D606-M609 WeakPolarHBondContact O-CG 3.31Å; D606-M609 PolarHBondContact O-N 2.82Å
607	N	92.6	Very high	94.2	Very high	138 Å²	138	55 Å²	55	74%	0.738	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-64.4	-14.1	176.7	70.2	-8	0	0	0	113.8	A605	A605-N607 VanDerWaalsContact CB-OD1 3.3Å; A605-N607 WeakPolarHBondContact CB-OD1 3.37Å; A605-N607 PolarHBondContact O-N 3.13Å
608	Q	95.2	Very high	94.1	Very high	72 Å²	72	60.3 Å²	60.3	34%	0.336	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-83.4	-17.3	176.2	-59.4	171.6	-29.6	0	0	112.1	F603 A605 D606 K610 Q611 A612	F603-Q608 HydrophobicContact CD1-CB 4.2Å; A605-Q608 HydrophobicContact CB-CG 4.13Å; A605-Q608 WeakPolarHBondContact O-CB 3.45Å; A605-Q608 PolarHBondContact O-N 3.28Å; D606-Q608 PolarHBondContact O-N 3.28Å; D606-Q608 VanDerWaalsContact O-N 3.09Å; Q608-K610 VanDerWaalsContact C-N 3.31Å; Q608-K610 PolarHBondContact O-N 3.39Å; Q608-Q611 CarbonylContact O-C 3.59Å; Q608-Q611 WeakPolarHBondContact O-CA 3.48Å; Q608-Q611 WeakPolarHBondContact O-CB 3.36Å; Q608-Q611 PolarHBondContact O-N 3.13Å; Q608-A612 WeakPolarHBondContact O-CB 3.13Å; Q608-A612 PolarHBondContact O-N 3.41Å
609	M	94.7	Very high	94.1	Very high	22 Å²	22	62.5 Å²	62.5	11%	0.108	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-36.3	-170.9	-67	-60.5	108.3	0	0	112.9	F603 D606 Q611 A612 V613 L645 V646	F603-M609 HydrophobicContact CB-CE 3.54Å; F603-M609 HydrophobicContact CG-CE 4.29Å; D606-M609 WeakPolarHBondContact O-CB 3.4Å; D606-M609 WeakPolarHBondContact O-CG 3.31Å; D606-M609 PolarHBondContact O-N 2.82Å; M609-Q611 PolarHBondContact O-N 3.13Å; M609-A612 HydrophobicContact CE-CB 4.47Å; M609-A612 PolarHBondContact O-N 3.47Å; M609-V613 WeakPolarHBondContact O-CG2 3.22Å; M609-V613 PolarHBondContact O-N 3.48Å; M609-V613 VanDerWaalsContact O-N 3.08Å; M609-L645 HydrophobicContact CB-CB 4.29Å; M609-L645 WeakPolarHBondContact CB-O 3.44Å; M609-L645 HydrophobicContact CG-CB 4.07Å; M609-L645 HydrophobicContact CG-CD2 4.25Å; M609-V646 HydrophobicContact CB-CG1 4.15Å
610	K	94.1	Very high	94.2	Very high	92 Å²	92	62.8 Å²	62.8	40%	0.4	32%	0.323	S	S	.	.	H	α-helix	trans	-55.6	-51.1	170.3	174	170.2	-175.4	177.7	0	111.3	Q608 M614 T650 E653	Q608-K610 VanDerWaalsContact C-N 3.31Å; Q608-K610 PolarHBondContact O-N 3.39Å; K610-M614 WeakPolarHBondContact O-CG 3.21Å; K610-M614 PolarHBondContact O-N 2.96Å; K610-T650 HydrophobicContact CB-CG2 4.09Å; K610-T650 HydrophobicContact CD-CG2 4.36Å; K610-T650 HydrophobicContact CG-CG2 3.77Å; K610-E653 WeakPolarHBondContact CE-OE2 3.42Å; K610-E653 IonicContact NZ-OE1 3.63Å; K610-E653 IonicContact NZ-OE2 2.7Å; K610-E653 PolarHBondContact NZ-OE2 3.35Å
611	Q	94.8	Very high	94.2	Very high	109 Å²	109	57.2 Å²	57.2	51%	0.509	30%	0.298	S	S	.	.	H	α-helix	trans	-67.8	-36.5	-179.9	-174	61.9	33.3	0	0	111.9	Q608 M609 V613 M614 L615	Q608-Q611 CarbonylContact O-C 3.59Å; Q608-Q611 WeakPolarHBondContact O-CA 3.48Å; Q608-Q611 WeakPolarHBondContact O-CB 3.36Å; Q608-Q611 PolarHBondContact O-N 3.13Å; M609-Q611 PolarHBondContact O-N 3.13Å; Q611-V613 VanDerWaalsContact C-N 3.34Å; Q611-V613 PolarHBondContact O-N 3.33Å; Q611-M614 PolarHBondContact O-N 2.81Å; Q611-L615 VanDerWaalsContact O-CB 3.28Å; Q611-L615 WeakPolarHBondContact O-CB 3.35Å; Q611-L615 PolarHBondContact O-N 3.37Å
612	A	96.5	Very high	94.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-44.1	-179.7	0	0	0	0	0	111.5	W594 H597 F603 Q608 M609 F616	W594-A612 HydrophobicContact CH2-CB 4.09Å; H597-A612 PolarHBondContact NE2-O 3.42Å; F603-A612 HydrophobicContact CD1-CB 4.02Å; F603-A612 HydrophobicContact CD2-CB 3.63Å; F603-A612 HydrophobicContact CE1-CB 3.88Å; F603-A612 HydrophobicContact CE2-CB 3.47Å; F603-A612 VanDerWaalsContact CE2-CB 3.47Å; F603-A612 HydrophobicContact CG-CB 3.9Å; F603-A612 HydrophobicContact CZ-CB 3.61Å; Q608-A612 WeakPolarHBondContact O-CB 3.13Å; Q608-A612 PolarHBondContact O-N 3.41Å; M609-A612 HydrophobicContact CE-CB 4.47Å; M609-A612 PolarHBondContact O-N 3.47Å; A612-F616 VanDerWaalsContact O-CB 3.31Å; A612-F616 WeakPolarHBondContact O-CB 3.41Å; A612-F616 PolarHBondContact O-N 3.03Å
613	V	96.3	Very high	94.3	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	29%	0.292	C	S	.	.	H	α-helix	trans	-71.2	-39.4	178.3	179	0	0	0	0	111.8	W594 M609 Q611 F616 V617 F633 L637 M640 V646 V654	W594-V613 HydrophobicContact CH2-CG2 3.69Å; W594-V613 HydrophobicContact CZ3-CG2 4.04Å; M609-V613 WeakPolarHBondContact O-CG2 3.22Å; M609-V613 PolarHBondContact O-N 3.48Å; M609-V613 VanDerWaalsContact O-N 3.08Å; Q611-V613 VanDerWaalsContact C-N 3.34Å; Q611-V613 PolarHBondContact O-N 3.33Å; V613-F616 WeakPolarHBondContact O-CB 3.49Å; V613-F616 PolarHBondContact O-N 3.27Å; V613-V617 PolarHBondContact O-N 3.43Å; V613-V617 VanDerWaalsContact O-N 3.08Å; V613-F633 HydrophobicContact CG1-CZ 4Å; V613-L637 HydrophobicContact CG1-CD2 3.38Å; V613-L637 HydrophobicContact CG2-CD2 4.3Å; V613-M640 HydrophobicContact CG2-CE 3.68Å; V613-M640 HydrophobicContact CG2-SD 4.15Å; V613-V646 HydrophobicContact CG2-CG1 4.35Å; V613-V654 HydrophobicContact CB-CG2 4.28Å; V613-V654 HydrophobicContact CG1-CB 4.2Å; V613-V654 HydrophobicContact CG1-CG1 3.62Å; V613-V654 HydrophobicContact CG1-CG2 3.53Å
614	M	94.8	Very high	94.3	Very high	29 Å²	29	54.9 Å²	54.9	14%	0.143	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-49.4	174.2	-69.7	-61.7	-68.1	0	0	111.2	K610 Q611 F616 V617 E618 E653 V654	K610-M614 WeakPolarHBondContact O-CG 3.21Å; K610-M614 PolarHBondContact O-N 2.96Å; Q611-M614 PolarHBondContact O-N 2.81Å; M614-F616 PolarHBondContact O-N 3.27Å; M614-V617 PolarHBondContact O-N 3.04Å; M614-V617 VanDerWaalsContact O-N 3.13Å; M614-E618 WeakPolarHBondContact O-CG 3.21Å; M614-E618 PolarHBondContact O-N 3.32Å; M614-E653 HydrophobicContact CE-CG 4.34Å; M614-E653 HydrophobicContact SD-CG 4.31Å; M614-V654 HydrophobicContact CG-CG2 4.24Å; M614-V654 HydrophobicContact SD-CB 4.28Å; M614-V654 HydrophobicContact SD-CG2 3.43Å; M614-V654 WeakPolarHBondContact SD-CG2 3.27Å
615	L	96.1	Very high	94.4	Very high	37 Å²	37	48.7 Å²	48.7	19%	0.194	25%	0.251	C	S	.	.	H	α-helix	trans	-63.7	-29.4	177.3	-173.1	64.6	0	0	0	112.5	F603 Q611 E618 N619	F603-L615 HydrophobicContact CZ-CD2 4.29Å; Q611-L615 VanDerWaalsContact O-CB 3.28Å; Q611-L615 WeakPolarHBondContact O-CB 3.35Å; Q611-L615 PolarHBondContact O-N 3.37Å; L615-E618 WeakPolarHBondContact CD1-OE2 3.4Å; L615-N619 WeakPolarHBondContact O-CB 3.4Å; L615-N619 PolarHBondContact O-N 3.04Å; L615-N619 VanDerWaalsContact O-N 3.13Å; L615-N619 PolarHBondContact O-ND2 3.27Å
616	F	97	Very high	94.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-46.1	173.6	178.9	-100.7	0	0	0	111.2	L593 W594 H597 A612 V613 M614 N619 L620 I624 F633	L593-F616 HydrophobicContact CB-CE2 3.98Å; L593-F616 HydrophobicContact CB-CZ 3.96Å; W594-F616 HydrophobicContact CB-CE2 4.35Å; W594-F616 HydrophobicContact CE3-CB 4.24Å; W594-F616 HydrophobicContact CE3-CD1 4.31Å; W594-F616 AromaticContact CE3-CD2 3.72Å; W594-F616 HydrophobicContact CE3-CD2 3.72Å; W594-F616 HydrophobicContact CE3-CE2 4.09Å; W594-F616 AromaticContact CE3-CG 3.84Å; W594-F616 HydrophobicContact CE3-CG 3.84Å; W594-F616 HydrophobicContact CZ3-CB 3.87Å; W594-F616 HydrophobicContact CZ3-CD2 4.21Å; W594-F616 AromaticContact CZ3-CG 3.99Å; W594-F616 HydrophobicContact CZ3-CG 3.99Å; H597-F616 HydrophobicContact CB-CD2 3.74Å; H597-F616 HydrophobicContact CB-CE2 4.2Å; H597-F616 AromaticContact CD2-CD2 3.74Å; H597-F616 AromaticContact CG-CD2 3.71Å; A612-F616 VanDerWaalsContact O-CB 3.31Å; A612-F616 WeakPolarHBondContact O-CB 3.41Å; A612-F616 PolarHBondContact O-N 3.03Å; V613-F616 WeakPolarHBondContact O-CB 3.49Å; V613-F616 PolarHBondContact O-N 3.27Å; M614-F616 PolarHBondContact O-N 3.27Å; F616-N619 PolarHBondContact O-N 3.33Å; F616-L620 HydrophobicContact CD2-CD1 3.68Å; F616-L620 HydrophobicContact CE2-CB 4.3Å; F616-L620 HydrophobicContact CE2-CD1 3.37Å; F616-L620 HydrophobicContact CE2-CG 4.43Å; F616-L620 HydrophobicContact CZ-CB 4.46Å; F616-L620 HydrophobicContact CZ-CD1 4.19Å; F616-L620 WeakPolarHBondContact O-CA 3.49Å; F616-L620 WeakPolarHBondContact O-CB 3.49Å; F616-L620 PolarHBondContact O-N 2.93Å; F616-I624 HydrophobicContact CD1-CD1 4.15Å; F616-I624 HydrophobicContact CE1-CD1 3.37Å; F616-I624 HydrophobicContact CZ-CD1 3.98Å; F616-F633 HydrophobicContact CD1-CD2 4.21Å; F616-F633 AromaticContact CD1-CE2 3.38Å; F616-F633 HydrophobicContact CD1-CE2 3.38Å; F616-F633 AromaticContact CD1-CZ 3.68Å; F616-F633 HydrophobicContact CD1-CZ 3.68Å; F616-F633 AromaticContact CE1-CD2 3.63Å; F616-F633 HydrophobicContact CE1-CD2 3.63Å; F616-F633 AromaticContact CE1-CE2 3.26Å; F616-F633 HydrophobicContact CE1-CE2 3.26Å; F616-F633 AromaticContact CE1-CZ 3.95Å; F616-F633 HydrophobicContact CE1-CZ 3.95Å; F616-F633 HydrophobicContact CZ-CE2 4.44Å
617	V	95.6	Very high	94.3	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-67	-39.5	176.5	171.8	0	0	0	0	111.7	V613 M614 N619 G621 F633 V654 L658	V613-V617 PolarHBondContact O-N 3.43Å; V613-V617 VanDerWaalsContact O-N 3.08Å; M614-V617 PolarHBondContact O-N 3.04Å; M614-V617 VanDerWaalsContact O-N 3.13Å; V617-N619 VanDerWaalsContact C-N 3.31Å; V617-N619 PolarHBondContact O-N 2.83Å; V617-G621 WeakPolarHBondContact O-CA 3.41Å; V617-G621 PolarHBondContact O-N 2.91Å; V617-F633 HydrophobicContact CG2-CE1 3.51Å; V617-F633 HydrophobicContact CG2-CZ 3.61Å; V617-V654 HydrophobicContact CG2-CG1 3.59Å; V617-L658 HydrophobicContact CG1-CB 4.17Å; V617-L658 HydrophobicContact CG1-CD1 3.88Å
618	E	93.8	Very high	94.3	Very high	121 Å²	121	58 Å²	58	57%	0.565	27%	0.269	S	S	*	.	H	α-helix	trans	-57.7	-43	175	-72.8	174.1	-178.5	0	0	112.2	M614 L615	M614-E618 WeakPolarHBondContact O-CG 3.21Å; M614-E618 PolarHBondContact O-N 3.32Å; L615-E618 WeakPolarHBondContact CD1-OE2 3.4Å
619	N	93.6	Very high	94.3	Very high	92 Å²	92	55.1 Å²	55.1	49%	0.492	26%	0.256	S	S	.	.	H	α-helix	trans	-86.6	-38.2	-176	-70.4	-42.8	0	0	0	114	L615 F616 V617	L615-N619 WeakPolarHBondContact O-CB 3.4Å; L615-N619 PolarHBondContact O-N 3.04Å; L615-N619 VanDerWaalsContact O-N 3.13Å; L615-N619 PolarHBondContact O-ND2 3.27Å; F616-N619 PolarHBondContact O-N 3.33Å; V617-N619 VanDerWaalsContact C-N 3.31Å; V617-N619 PolarHBondContact O-N 2.83Å
620	L	94.5	Very high	94.3	Very high	44 Å²	44	55.4 Å²	55.4	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-119.7	-3	-168.6	-64.2	171	0	0	0	113.3	L593 H597 F616 A622 H623 I624	L593-L620 HydrophobicContact CB-CD1 4.21Å; L593-L620 HydrophobicContact CD2-CD1 4.21Å; L593-L620 HydrophobicContact CD2-CD2 4.17Å; H597-L620 HydrophobicContact CB-CD1 4.44Å; F616-L620 HydrophobicContact CD2-CD1 3.68Å; F616-L620 HydrophobicContact CE2-CB 4.3Å; F616-L620 HydrophobicContact CE2-CD1 3.37Å; F616-L620 HydrophobicContact CE2-CG 4.43Å; F616-L620 HydrophobicContact CZ-CB 4.46Å; F616-L620 HydrophobicContact CZ-CD1 4.19Å; F616-L620 WeakPolarHBondContact O-CA 3.49Å; F616-L620 WeakPolarHBondContact O-CB 3.49Å; F616-L620 PolarHBondContact O-N 2.93Å; L620-A622 VanDerWaalsContact C-N 3.33Å; L620-A622 PolarHBondContact O-N 3.18Å; L620-H623 WeakPolarHBondContact O-CB 3.42Å; L620-H623 PolarHBondContact O-N 2.97Å; L620-I624 WeakPolarHBondContact O-CG1 3.33Å; L620-I624 PolarHBondContact O-N 3.3Å
621	G	91.8	Very high	94.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-42	-179.2	0	0	0	0	0	113.4	V617 H623 I624 I625	V617-G621 WeakPolarHBondContact O-CA 3.41Å; V617-G621 PolarHBondContact O-N 2.91Å; G621-H623 VanDerWaalsContact C-N 3.29Å; G621-H623 PolarHBondContact O-N 2.86Å; G621-I624 WeakPolarHBondContact O-CB 3.43Å; G621-I624 PolarHBondContact O-N 3.42Å; G621-I625 WeakPolarHBondContact O-CD1 3.36Å; G621-I625 VanDerWaalsContact O-CG1 3.27Å; G621-I625 WeakPolarHBondContact O-CG1 3.42Å; G621-I625 PolarHBondContact O-N 3.42Å
622	A	93.1	Very high	94.2	Very high	25 Å²	25	58 Å²	58	21%	0.207	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-35.6	176.6	0	0	0	0	0	112.6	L620 R626 L665	L620-A622 VanDerWaalsContact C-N 3.33Å; L620-A622 PolarHBondContact O-N 3.18Å; A622-R626 WeakPolarHBondContact O-CB 3.5Å; A622-R626 VanDerWaalsContact O-CG 3.27Å; A622-R626 WeakPolarHBondContact O-CG 3.5Å; A622-R626 PolarHBondContact O-N 3.49Å; A622-L665 HydrophobicContact CB-CD1 4Å
623	H	93.4	Very high	94.2	Very high	56 Å²	56	58 Å²	58	26%	0.259	27%	0.266	S	S	.	.	H	α-helix	trans	-70.1	-42.7	175.8	-177.2	83.8	0	0	0	111.4	E589 L593 L620 G621 I625 R626 R627	E589-H623 IonicContact OE1-CD2 3.87Å; E589-H623 IonicContact OE1-CE1 3.72Å; E589-H623 IonicContact OE1-NE2 2.83Å; E589-H623 PolarHBondContact OE1-NE2 3.38Å; L593-H623 VanDerWaalsContact CD1-CD2 3.5Å; L593-H623 WeakPolarHBondContact CD1-CD2 3.29Å; L620-H623 WeakPolarHBondContact O-CB 3.42Å; L620-H623 PolarHBondContact O-N 2.97Å; G621-H623 VanDerWaalsContact C-N 3.29Å; G621-H623 PolarHBondContact O-N 2.86Å; H623-I625 VanDerWaalsContact C-N 3.29Å; H623-I625 PolarHBondContact O-N 3.41Å; H623-R626 PolarHBondContact O-N 2.97Å; H623-R627 WeakPolarHBondContact O-CB 3.49Å; H623-R627 PolarHBondContact O-N 3.28Å
624	I	94.8	Very high	94.2	Very high	1 Å²	1	61 Å²	61	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-58.2	-42.8	175.3	-65.7	167.5	0	0	0	110.9	F616 L620 G621 N628 L629 F633 L658	F616-I624 HydrophobicContact CD1-CD1 4.15Å; F616-I624 HydrophobicContact CE1-CD1 3.37Å; F616-I624 HydrophobicContact CZ-CD1 3.98Å; L620-I624 WeakPolarHBondContact O-CG1 3.33Å; L620-I624 PolarHBondContact O-N 3.3Å; G621-I624 WeakPolarHBondContact O-CB 3.43Å; G621-I624 PolarHBondContact O-N 3.42Å; I624-N628 PolarHBondContact O-N 3.15Å; I624-L629 HydrophobicContact CG2-CB 4.03Å; I624-L629 PolarHBondContact O-N 2.95Å; I624-F633 HydrophobicContact CD1-CD1 4.48Å; I624-F633 HydrophobicContact CD1-CD2 4.34Å; I624-F633 HydrophobicContact CD1-CG 4.22Å; I624-F633 HydrophobicContact CG2-CB 4.18Å; I624-L658 HydrophobicContact CG2-CD2 4.4Å
625	I	93.7	Very high	94.2	Very high	26 Å²	26	64 Å²	64	13%	0.133	30%	0.297	C	S	.	.	H	α-helix	trans	-67	-50.6	178.7	-66.3	159.7	0	0	0	110.7	G621 H623 R627 N628 L658 L661 K662 L665	G621-I625 WeakPolarHBondContact O-CD1 3.36Å; G621-I625 VanDerWaalsContact O-CG1 3.27Å; G621-I625 WeakPolarHBondContact O-CG1 3.42Å; G621-I625 PolarHBondContact O-N 3.42Å; H623-I625 VanDerWaalsContact C-N 3.29Å; H623-I625 PolarHBondContact O-N 3.41Å; I625-R627 VanDerWaalsContact C-N 3.3Å; I625-R627 PolarHBondContact O-N 3.09Å; I625-N628 PolarHBondContact O-N 3.36Å; I625-L658 HydrophobicContact CD1-CD1 3.93Å; I625-L658 HydrophobicContact CD1-CG 4.41Å; I625-L658 HydrophobicContact CG1-CD1 3.99Å; I625-L658 HydrophobicContact CG1-CG 4.34Å; I625-L661 HydrophobicContact CD1-CB 4.06Å; I625-L661 HydrophobicContact CD1-CD2 4.05Å; I625-L661 HydrophobicContact CD1-CG 4Å; I625-K662 HydrophobicContact CD1-CB 3.93Å; I625-K662 HydrophobicContact CG1-CB 4.35Å; I625-K662 HydrophobicContact CG2-CB 4.3Å; I625-K662 HydrophobicContact CG2-CD 4.5Å; I625-K662 HydrophobicContact CG2-CG 3.96Å; I625-L665 HydrophobicContact CB-CD1 4.42Å; I625-L665 HydrophobicContact CD1-CD1 3.96Å; I625-L665 HydrophobicContact CG2-CD1 4.32Å
626	R	92.4	Very high	94.2	Very high	183 Å²	183	64.2 Å²	64.2	69%	0.691	30%	0.297	S	S	*	.	H	α-helix	trans	-61.5	-35.6	-179	-73.5	178.2	-163.7	130.2	3.2	113.4	A622 H623 N628	A622-R626 WeakPolarHBondContact O-CB 3.5Å; A622-R626 VanDerWaalsContact O-CG 3.27Å; A622-R626 WeakPolarHBondContact O-CG 3.5Å; A622-R626 PolarHBondContact O-N 3.49Å; H623-R626 PolarHBondContact O-N 2.97Å; R626-N628 VanDerWaalsContact C-N 3.29Å
627	R	91.9	Very high	94.2	Very high	171 Å²	171	64.2 Å²	64.2	65%	0.645	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	2.8	177	-67.2	-68.1	-169.1	172.3	2.4	113.4	H623 I625 L629	H623-R627 WeakPolarHBondContact O-CB 3.49Å; H623-R627 PolarHBondContact O-N 3.28Å; I625-R627 VanDerWaalsContact C-N 3.3Å; I625-R627 PolarHBondContact O-N 3.09Å; R627-L629 VanDerWaalsContact C-N 3.33Å; R627-L629 HydrophobicContact CB-CD1 3.73Å; R627-L629 HydrophobicContact CB-CG 3.76Å; R627-L629 PolarHBondContact O-N 2.92Å
628	N	93.1	Very high	94.3	Very high	136 Å²	136	67 Å²	67	73%	0.727	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	41.8	-178	-166.8	31.2	0	0	0	113.6	I624 I625 R626	I624-N628 PolarHBondContact O-N 3.15Å; I625-N628 PolarHBondContact O-N 3.36Å; R626-N628 VanDerWaalsContact C-N 3.29Å
629	L	94.5	Very high	94.4	Very high	12 Å²	12	63.5 Å²	63.5	6%	0.063	30%	0.303	C	S	.	.			trans	-98.5	3.4	-175.9	-62.3	174.7	0	0	0	113.8	E589 V590 I624 R627 R631 N632 F633	E589-L629 HydrophobicContact CB-CD1 4.02Å; E589-L629 HydrophobicContact CG-CD1 3.5Å; E589-L629 VanDerWaalsContact CG-CD1 3.5Å; V590-L629 HydrophobicContact CG2-CB 4.09Å; V590-L629 HydrophobicContact CG2-CD1 4.3Å; I624-L629 HydrophobicContact CG2-CB 4.03Å; I624-L629 PolarHBondContact O-N 2.95Å; R627-L629 VanDerWaalsContact C-N 3.33Å; R627-L629 HydrophobicContact CB-CD1 3.73Å; R627-L629 HydrophobicContact CB-CG 3.76Å; R627-L629 PolarHBondContact O-N 2.92Å; L629-R631 PolarHBondContact O-N 3.44Å; L629-R631 VanDerWaalsContact O-N 3.11Å; L629-N632 PolarHBondContact O-N 3.02Å; L629-F633 PolarHBondContact O-N 3.04Å
630	C	93.8	Very high	94.5	Very high	28 Å²	28	59.5 Å²	59.5	19%	0.189	28%	0.282	C	S	.	.	H	α-helix	trans	-55.7	-34.9	-173.9	-57.4	0	0	0	0	113.6	L634 L658	C630-L634 WeakPolarHBondContact O-CB 3.44Å; C630-L634 PolarHBondContact O-N 3.5Å; C630-L658 HydrophobicContact CB-CD2 4.13Å
631	R	93.9	Very high	94.6	Very high	217 Å²	217	60.7 Å²	60.7	82%	0.819	29%	0.286	S	S	*	.	H	α-helix	trans	-70.7	-40.5	177.8	-171.5	178.5	178.8	-148.5	-1.4	112.2	L629 F633 L634 L635	L629-R631 PolarHBondContact O-N 3.44Å; L629-R631 VanDerWaalsContact O-N 3.11Å; R631-F633 VanDerWaalsContact C-N 3.33Å; R631-L634 PolarHBondContact O-N 3.01Å; R631-L635 PolarHBondContact O-N 3.32Å
632	N	94.6	Very high	94.8	Very high	39 Å²	39	65.8 Å²	65.8	21%	0.209	31%	0.313	C	S	.	.	H	α-helix	trans	-67.1	-38.7	175.6	-63	-36.3	0	0	0	110.6	V590 L629 L635 H636	V590-N632 HydrophobicContact CG2-CB 3.91Å; L629-N632 PolarHBondContact O-N 3.02Å; N632-L635 WeakPolarHBondContact O-CB 3.4Å; N632-L635 PolarHBondContact O-N 3.12Å; N632-H636 PolarHBondContact O-N 3.31Å
633	F	95.9	Very high	94.9	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.6	-44.7	174.2	179.9	-118.8	0	0	0	112.3	V613 F616 V617 I624 L629 R631 L635 H636 L637 V654 M655 L658	V613-F633 HydrophobicContact CG1-CZ 4Å; F616-F633 HydrophobicContact CD1-CD2 4.21Å; F616-F633 AromaticContact CD1-CE2 3.38Å; F616-F633 HydrophobicContact CD1-CE2 3.38Å; F616-F633 AromaticContact CD1-CZ 3.68Å; F616-F633 HydrophobicContact CD1-CZ 3.68Å; F616-F633 AromaticContact CE1-CD2 3.63Å; F616-F633 HydrophobicContact CE1-CD2 3.63Å; F616-F633 AromaticContact CE1-CE2 3.26Å; F616-F633 HydrophobicContact CE1-CE2 3.26Å; F616-F633 AromaticContact CE1-CZ 3.95Å; F616-F633 HydrophobicContact CE1-CZ 3.95Å; F616-F633 HydrophobicContact CZ-CE2 4.44Å; V617-F633 HydrophobicContact CG2-CE1 3.51Å; V617-F633 HydrophobicContact CG2-CZ 3.61Å; I624-F633 HydrophobicContact CD1-CD1 4.48Å; I624-F633 HydrophobicContact CD1-CD2 4.34Å; I624-F633 HydrophobicContact CD1-CG 4.22Å; I624-F633 HydrophobicContact CG2-CB 4.18Å; L629-F633 PolarHBondContact O-N 3.04Å; R631-F633 VanDerWaalsContact C-N 3.33Å; F633-L635 VanDerWaalsContact C-N 3.28Å; F633-L635 PolarHBondContact O-N 3.32Å; F633-H636 WeakPolarHBondContact O-CA 3.42Å; F633-H636 WeakPolarHBondContact O-CB 3.28Å; F633-H636 PolarHBondContact O-N 2.89Å; F633-H636 VanDerWaalsContact O-N 3.09Å; F633-L637 HydrophobicContact CD1-CD1 4.33Å; F633-L637 HydrophobicContact CE1-CD1 3.89Å; F633-L637 HydrophobicContact CE1-CD2 4.24Å; F633-L637 HydrophobicContact CE1-CG 4.19Å; F633-L637 HydrophobicContact CE2-CD2 3.91Å; F633-L637 HydrophobicContact CE2-CG 4.35Å; F633-L637 HydrophobicContact CZ-CD1 4.2Å; F633-L637 HydrophobicContact CZ-CD2 3.7Å; F633-L637 HydrophobicContact CZ-CG 4.11Å; F633-L637 WeakPolarHBondContact O-CG 3.21Å; F633-L637 PolarHBondContact O-N 3.4Å; F633-V654 HydrophobicContact CE1-CG1 3.73Å; F633-V654 HydrophobicContact CZ-CG1 3.98Å; F633-M655 HydrophobicContact CD1-SD 4.32Å; F633-L658 HydrophobicContact CD1-CD2 4Å; F633-L658 HydrophobicContact CE1-CD2 4.46Å
634	L	96.1	Very high	94.9	Very high	64 Å²	64	76.4 Å²	76.4	34%	0.335	36%	0.361	S	S	.	.	H	α-helix	trans	-58.1	-41.8	173.6	176.5	59.4	0	0	0	111.8	C630 R631 H636 L637 V638 I651 M655	C630-L634 WeakPolarHBondContact O-CB 3.44Å; C630-L634 PolarHBondContact O-N 3.5Å; R631-L634 PolarHBondContact O-N 3.01Å; L634-H636 VanDerWaalsContact C-N 3.29Å; L634-H636 PolarHBondContact O-N 2.93Å; L634-L637 WeakPolarHBondContact O-CB 3.3Å; L634-L637 PolarHBondContact O-N 2.99Å; L634-L637 VanDerWaalsContact O-N 3.15Å; L634-V638 WeakPolarHBondContact O-CG2 3.43Å; L634-V638 PolarHBondContact O-N 2.95Å; L634-I651 HydrophobicContact CD1-CG2 3.78Å; L634-M655 HydrophobicContact CB-CE 4.09Å; L634-M655 HydrophobicContact CB-SD 4.17Å; L634-M655 HydrophobicContact CD1-CE 4.45Å; L634-M655 HydrophobicContact CD1-CG 3.94Å; L634-M655 HydrophobicContact CD1-SD 4.12Å; L634-M655 HydrophobicContact CD2-CE 4.46Å
635	L	95.4	Very high	94.9	Very high	91 Å²	91	79.1 Å²	79.1	48%	0.476	38%	0.375	S	S	.	.	H	α-helix	trans	-60.5	-41.3	175.9	-174.5	62.3	0	0	0	111.4	R631 N632 F633 L637 V638 S639	R631-L635 PolarHBondContact O-N 3.32Å; N632-L635 WeakPolarHBondContact O-CB 3.4Å; N632-L635 PolarHBondContact O-N 3.12Å; F633-L635 VanDerWaalsContact C-N 3.28Å; F633-L635 PolarHBondContact O-N 3.32Å; L635-L637 PolarHBondContact O-N 3.35Å; L635-V638 PolarHBondContact O-N 2.94Å; L635-S639 PolarHBondContact O-N 3.45Å; L635-S639 PolarHBondContact O-OG 3.44Å
636	H	96.1	Very high	94.9	Very high	41 Å²	41	78.5 Å²	78.5	19%	0.19	37%	0.372	C	S	.	.	H	α-helix	trans	-62.7	-39.2	173.8	179.6	56.7	0	0	0	112.8	V590 W594 N632 F633 L634 V638 S639 M640	V590-H636 HydrophobicContact CG1-CB 4.18Å; W594-H636 AromaticContact CD1-CE1 3.71Å; W594-H636 AromaticContact CD1-NE2 3.42Å; W594-H636 AromaticContact CD2-NE2 3.46Å; W594-H636 AromaticContact CE2-NE2 3.59Å; W594-H636 AromaticContact CG-NE2 3.36Å; W594-H636 AromaticContact NE1-CE1 3.84Å; W594-H636 AromaticContact NE1-NE2 3.52Å; N632-H636 PolarHBondContact O-N 3.31Å; F633-H636 WeakPolarHBondContact O-CA 3.42Å; F633-H636 WeakPolarHBondContact O-CB 3.28Å; F633-H636 PolarHBondContact O-N 2.89Å; F633-H636 VanDerWaalsContact O-N 3.09Å; L634-H636 VanDerWaalsContact C-N 3.29Å; L634-H636 PolarHBondContact O-N 2.93Å; H636-V638 VanDerWaalsContact C-N 3.35Å; H636-S639 WeakPolarHBondContact O-CB 3.27Å; H636-S639 PolarHBondContact O-N 3.01Å; H636-M640 WeakPolarHBondContact CD2-CE 3.46Å; H636-M640 WeakPolarHBondContact NE2-CE 3.37Å; H636-M640 PolarHBondContact O-N 3.31Å
637	L	96.5	Very high	95.1	Very high	1 Å²	1	72.4 Å²	72.4	1%	0.005	36%	0.358	C	S	.	.	H	α-helix	trans	-62.5	-40.6	173.9	-62.2	-175.9	0	0	0	112.4	V613 F633 L634 L635 M640 H641 I651 V654 M655	V613-L637 HydrophobicContact CG1-CD2 3.38Å; V613-L637 HydrophobicContact CG2-CD2 4.3Å; F633-L637 HydrophobicContact CD1-CD1 4.33Å; F633-L637 HydrophobicContact CE1-CD1 3.89Å; F633-L637 HydrophobicContact CE1-CD2 4.24Å; F633-L637 HydrophobicContact CE1-CG 4.19Å; F633-L637 HydrophobicContact CE2-CD2 3.91Å; F633-L637 HydrophobicContact CE2-CG 4.35Å; F633-L637 HydrophobicContact CZ-CD1 4.2Å; F633-L637 HydrophobicContact CZ-CD2 3.7Å; F633-L637 HydrophobicContact CZ-CG 4.11Å; F633-L637 WeakPolarHBondContact O-CG 3.21Å; F633-L637 PolarHBondContact O-N 3.4Å; L634-L637 WeakPolarHBondContact O-CB 3.3Å; L634-L637 PolarHBondContact O-N 2.99Å; L634-L637 VanDerWaalsContact O-N 3.15Å; L635-L637 PolarHBondContact O-N 3.35Å; L637-M640 HydrophobicContact CD2-CE 3.62Å; L637-M640 PolarHBondContact O-N 3Å; L637-H641 PolarHBondContact O-N 3.14Å; L637-I651 HydrophobicContact CB-CD1 4.28Å; L637-I651 HydrophobicContact CB-CG1 4.15Å; L637-I651 HydrophobicContact CB-CG2 4.24Å; L637-I651 HydrophobicContact CD1-CG2 4.09Å; L637-V654 HydrophobicContact CD1-CB 4.24Å; L637-V654 HydrophobicContact CD1-CG1 3.76Å; L637-M655 HydrophobicContact CD1-CG 4.05Å; L637-M655 HydrophobicContact CD1-SD 3.92Å
638	V	96.9	Very high	95.2	Very high	59 Å²	59	68.5 Å²	68.5	36%	0.358	35%	0.353	S	S	.	.	H	α-helix	trans	-62.2	-46.7	174.6	173.3	0	0	0	0	110	L634 L635 H636 M640 H641 D642	L634-V638 WeakPolarHBondContact O-CG2 3.43Å; L634-V638 PolarHBondContact O-N 2.95Å; L635-V638 PolarHBondContact O-N 2.94Å; H636-V638 VanDerWaalsContact C-N 3.35Å; V638-M640 VanDerWaalsContact C-N 3.3Å; V638-M640 PolarHBondContact O-N 3.43Å; V638-H641 WeakPolarHBondContact O-CB 3.34Å; V638-H641 PolarHBondContact O-N 3.08Å; V638-D642 PolarHBondContact O-N 2.8Å
639	S	96.2	Very high	95.3	Very high	47 Å²	47	64.9 Å²	64.9	33%	0.329	34%	0.342	S	S	.	.	H	α-helix	trans	-57.3	-42.5	174.4	-57.9	0	0	0	0	111.9	L635 H636 H641 D642 F643	L635-S639 PolarHBondContact O-N 3.45Å; L635-S639 PolarHBondContact O-OG 3.44Å; H636-S639 WeakPolarHBondContact O-CB 3.27Å; H636-S639 PolarHBondContact O-N 3.01Å; S639-H641 VanDerWaalsContact C-N 3.31Å; S639-H641 PolarHBondContact O-N 3.07Å; S639-D642 WeakPolarHBondContact O-CB 3.48Å; S639-D642 PolarHBondContact O-N 3.1Å; S639-F643 WeakPolarHBondContact O-CD2 3.4Å; S639-F643 PolarHBondContact O-N 3.37Å; S639-F643 VanDerWaalsContact O-N 3.1Å
640	M	95.4	Very high	95.2	Very high	9 Å²	9	64.6 Å²	64.6	4%	0.044	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-32.7	176.5	-74	-166.4	-83.2	0	0	113.3	W594 V613 H636 L637 V638 F643 L645 V646	W594-M640 HydrophobicContact CH2-CE 4.27Å; W594-M640 HydrophobicContact CH2-SD 4.1Å; W594-M640 HydrophobicContact CZ2-CE 4.22Å; W594-M640 HydrophobicContact CZ2-SD 3.62Å; V613-M640 HydrophobicContact CG2-CE 3.68Å; V613-M640 HydrophobicContact CG2-SD 4.15Å; H636-M640 WeakPolarHBondContact CD2-CE 3.46Å; H636-M640 WeakPolarHBondContact NE2-CE 3.37Å; H636-M640 PolarHBondContact O-N 3.31Å; L637-M640 HydrophobicContact CD2-CE 3.62Å; L637-M640 PolarHBondContact O-N 3Å; V638-M640 VanDerWaalsContact C-N 3.3Å; V638-M640 PolarHBondContact O-N 3.43Å; M640-F643 PolarHBondContact O-N 3.21Å; M640-L645 WeakPolarHBondContact O-CB 3.44Å; M640-L645 PolarHBondContact O-N 3.28Å; M640-V646 HydrophobicContact CB-CG2 3.83Å
641	H	96.1	Very high	95.3	Very high	68 Å²	68	64.2 Å²	64.2	32%	0.315	34%	0.337	S	S	.	.	H	α-helix	trans	-68.5	-39.8	172	170.7	-84.1	0	0	0	111.7	L637 V638 S639 F643 N644 V646 I651	L637-H641 PolarHBondContact O-N 3.14Å; V638-H641 WeakPolarHBondContact O-CB 3.34Å; V638-H641 PolarHBondContact O-N 3.08Å; S639-H641 VanDerWaalsContact C-N 3.31Å; S639-H641 PolarHBondContact O-N 3.07Å; H641-F643 PolarHBondContact O-N 2.96Å; H641-N644 WeakPolarHBondContact O-CA 3.3Å; H641-N644 PolarHBondContact O-N 2.85Å; H641-V646 HydrophobicContact CB-CG2 4.01Å; H641-V646 PolarHBondContact CD2-O 3.27Å; H641-I651 HydrophobicContact CB-CD1 3.85Å
642	D	96.9	Very high	95.4	Very high	107 Å²	107	59 Å²	59	57%	0.572	33%	0.326	S	S	*	.	H	α-helix	trans	-64.4	-26.1	176.9	-64.8	-16.8	0	0	0	112.5	V638 S639 N644	V638-D642 PolarHBondContact O-N 2.8Å; S639-D642 WeakPolarHBondContact O-CB 3.48Å; S639-D642 PolarHBondContact O-N 3.1Å; D642-N644 VanDerWaalsContact C-N 3.29Å; D642-N644 PolarHBondContact O-OD1 3.22Å
643	F	95	Very high	95.4	Very high	159 Å²	159	61.3 Å²	61.3	70%	0.697	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	9.3	170.1	-71.4	-69.1	0	0	0	114	S639 M640 H641 L645	S639-F643 WeakPolarHBondContact O-CD2 3.4Å; S639-F643 PolarHBondContact O-N 3.37Å; S639-F643 VanDerWaalsContact O-N 3.1Å; M640-F643 PolarHBondContact O-N 3.21Å; H641-F643 PolarHBondContact O-N 2.96Å; F643-L645 HydrophobicContact CB-CD1 4.25Å; F643-L645 HydrophobicContact CB-CG 4.17Å; F643-L645 PolarHBondContact O-N 2.96Å
644	N	94.6	Very high	95.3	Very high	145 Å²	145	61.3 Å²	61.3	78%	0.775	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	24.4	179.7	-57.6	27.6	0	0	0	114.4	H641 D642	H641-N644 WeakPolarHBondContact O-CA 3.3Å; H641-N644 PolarHBondContact O-N 2.85Å; D642-N644 VanDerWaalsContact C-N 3.29Å; D642-N644 PolarHBondContact O-OD1 3.22Å
645	L	94.3	Very high	95.3	Very high	58 Å²	58	59.4 Å²	59.4	30%	0.304	33%	0.325	S	S	.	.	S	Bend	trans	-90.3	-29.7	-178.4	-64	177.1	0	0	0	113	M609 M640 F643	M609-L645 HydrophobicContact CB-CB 4.29Å; M609-L645 WeakPolarHBondContact CB-O 3.44Å; M609-L645 HydrophobicContact CG-CB 4.07Å; M609-L645 HydrophobicContact CG-CD2 4.25Å; M640-L645 WeakPolarHBondContact O-CB 3.44Å; M640-L645 PolarHBondContact O-N 3.28Å; F643-L645 HydrophobicContact CB-CD1 4.25Å; F643-L645 HydrophobicContact CB-CG 4.17Å; F643-L645 PolarHBondContact O-N 2.96Å
646	V	94.3	Very high	95.2	Very high	13 Å²	13	56.4 Å²	56.4	8%	0.079	31%	0.313	C	S	.	.	S	Bend	trans	-132.8	152.2	179.4	-62.2	0	0	0	0	111.1	M609 V613 M640 H641 T650 I651	M609-V646 HydrophobicContact CB-CG1 4.15Å; V613-V646 HydrophobicContact CG2-CG1 4.35Å; M640-V646 HydrophobicContact CB-CG2 3.83Å; H641-V646 HydrophobicContact CB-CG2 4.01Å; H641-V646 PolarHBondContact CD2-O 3.27Å; V646-T650 HydrophobicContact CB-CG2 4.32Å; V646-T650 HydrophobicContact CG1-CG2 4.42Å; V646-I651 HydrophobicContact CG2-CG1 4.29Å
647	S	94.5	Very high	95	Very high	56 Å²	56	56 Å²	56	39%	0.392	32%	0.315	S	S	.	.			trans	-91.7	159.4	176.5	71.2	0	0	0	0	111.6	A649 T650 I651	S647-A649 VanDerWaalsContact C-N 3.25Å; S647-A649 PolarHBondContact O-N 3.02Å; S647-T650 WeakPolarHBondContact O-CA 3.4Å; S647-T650 VanDerWaalsContact O-CB 3.25Å; S647-T650 WeakPolarHBondContact O-CB 3.28Å; S647-T650 PolarHBondContact O-N 3.41Å; S647-T650 PolarHBondContact OG-N 3.5Å; S647-T650 PolarHBondContact OG-OG1 3.02Å; S647-I651 PolarHBondContact O-N 3.02Å
648	T	94.4	Very high	94.8	Very high	88 Å²	88	56.2 Å²	56.2	54%	0.54	32%	0.316	S	S	.	.	H	α-helix	trans	-56.1	-39.8	173.8	51.3	0	0	0	0	112.5	T650 I651 D652	T648-T650 PolarHBondContact O-N 3.32Å; T648-I651 WeakPolarHBondContact O-CB 3.21Å; T648-I651 PolarHBondContact O-N 3.04Å; T648-I651 VanDerWaalsContact O-N 3.08Å; T648-D652 PolarHBondContact O-N 2.91Å
649	A	95.1	Very high	94.5	Very high	60 Å²	60	59.9 Å²	59.9	50%	0.496	32%	0.323	S	S	.	.	H	α-helix	trans	-59.3	-34.4	174.5	0	0	0	0	0	112.5	S647 E653	S647-A649 VanDerWaalsContact C-N 3.25Å; S647-A649 PolarHBondContact O-N 3.02Å; A649-E653 WeakPolarHBondContact O-CB 3.49Å; A649-E653 PolarHBondContact O-N 3.11Å; A649-E653 VanDerWaalsContact O-N 3.13Å
650	T	93.6	Very high	94.2	Very high	7 Å²	7	63.3 Å²	63.3	4%	0.043	33%	0.334	C	S	.	.	H	α-helix	trans	-69.3	-39.6	175.2	-53.5	0	0	0	0	111.8	K610 V646 S647 T648 E653 V654	K610-T650 HydrophobicContact CB-CG2 4.09Å; K610-T650 HydrophobicContact CD-CG2 4.36Å; K610-T650 HydrophobicContact CG-CG2 3.77Å; V646-T650 HydrophobicContact CB-CG2 4.32Å; V646-T650 HydrophobicContact CG1-CG2 4.42Å; S647-T650 WeakPolarHBondContact O-CA 3.4Å; S647-T650 VanDerWaalsContact O-CB 3.25Å; S647-T650 WeakPolarHBondContact O-CB 3.28Å; S647-T650 PolarHBondContact O-N 3.41Å; S647-T650 PolarHBondContact OG-N 3.5Å; S647-T650 PolarHBondContact OG-OG1 3.02Å; T648-T650 PolarHBondContact O-N 3.32Å; T650-E653 PolarHBondContact O-N 3.43Å; T650-V654 HydrophobicContact CG2-CG2 4.19Å; T650-V654 WeakPolarHBondContact O-CB 3.48Å; T650-V654 WeakPolarHBondContact O-CG2 3.33Å; T650-V654 PolarHBondContact O-N 3.19Å
651	I	95.8	Very high	94	Very high	20 Å²	20	65 Å²	65	10%	0.103	34%	0.343	C	S	.	.	H	α-helix	trans	-62.1	-45.7	176.5	-59.4	-177.8	0	0	0	110.3	L634 L637 H641 V646 S647 T648 E653 V654 M655	L634-I651 HydrophobicContact CD1-CG2 3.78Å; L637-I651 HydrophobicContact CB-CD1 4.28Å; L637-I651 HydrophobicContact CB-CG1 4.15Å; L637-I651 HydrophobicContact CB-CG2 4.24Å; L637-I651 HydrophobicContact CD1-CG2 4.09Å; H641-I651 HydrophobicContact CB-CD1 3.85Å; V646-I651 HydrophobicContact CG2-CG1 4.29Å; S647-I651 PolarHBondContact O-N 3.02Å; T648-I651 WeakPolarHBondContact O-CB 3.21Å; T648-I651 PolarHBondContact O-N 3.04Å; T648-I651 VanDerWaalsContact O-N 3.08Å; I651-E653 VanDerWaalsContact C-N 3.35Å; I651-E653 PolarHBondContact O-N 2.85Å; I651-V654 PolarHBondContact O-N 3.39Å; I651-M655 HydrophobicContact CG2-CG 4.28Å; I651-M655 WeakPolarHBondContact O-CB 3.47Å; I651-M655 VanDerWaalsContact O-CG 3.28Å; I651-M655 WeakPolarHBondContact O-CG 3.47Å; I651-M655 PolarHBondContact O-N 2.83Å
652	D	94.8	Very high	93.5	Very high	108 Å²	108	67.6 Å²	67.6	58%	0.578	35%	0.354	S	S	*	.	H	α-helix	trans	-61.5	-43.7	179.5	-70.5	-30	0	0	0	111.9	T648 M655 A656	T648-D652 PolarHBondContact O-N 2.91Å; D652-M655 PolarHBondContact O-N 2.94Å; D652-A656 VanDerWaalsContact O-CB 3.3Å; D652-A656 WeakPolarHBondContact O-CB 3.49Å; D652-A656 PolarHBondContact O-N 3.49Å
653	E	95.3	Very high	93	Very high	86 Å²	86	70.6 Å²	70.6	40%	0.402	36%	0.364	S	S	.	.	H	α-helix	trans	-62.8	-48	177.7	-171.4	176.4	-175.4	0	0	111.7	K610 M614 A649 T650 I651 M655 A656 S657	K610-E653 WeakPolarHBondContact CE-OE2 3.42Å; K610-E653 IonicContact NZ-OE1 3.63Å; K610-E653 IonicContact NZ-OE2 2.7Å; K610-E653 PolarHBondContact NZ-OE2 3.35Å; M614-E653 HydrophobicContact CE-CG 4.34Å; M614-E653 HydrophobicContact SD-CG 4.31Å; A649-E653 WeakPolarHBondContact O-CB 3.49Å; A649-E653 PolarHBondContact O-N 3.11Å; A649-E653 VanDerWaalsContact O-N 3.13Å; T650-E653 PolarHBondContact O-N 3.43Å; I651-E653 VanDerWaalsContact C-N 3.35Å; I651-E653 PolarHBondContact O-N 2.85Å; E653-M655 PolarHBondContact O-N 3.22Å; E653-A656 PolarHBondContact O-N 3.23Å; E653-S657 PolarHBondContact O-N 2.97Å
654	V	95.1	Very high	92.3	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-62.4	-44.4	178.1	171.3	0	0	0	0	111.2	V613 M614 V617 F633 L637 T650 I651 S657 L658	V613-V654 HydrophobicContact CB-CG2 4.28Å; V613-V654 HydrophobicContact CG1-CB 4.2Å; V613-V654 HydrophobicContact CG1-CG1 3.62Å; V613-V654 HydrophobicContact CG1-CG2 3.53Å; M614-V654 HydrophobicContact CG-CG2 4.24Å; M614-V654 HydrophobicContact SD-CB 4.28Å; M614-V654 HydrophobicContact SD-CG2 3.43Å; M614-V654 WeakPolarHBondContact SD-CG2 3.27Å; V617-V654 HydrophobicContact CG2-CG1 3.59Å; F633-V654 HydrophobicContact CE1-CG1 3.73Å; F633-V654 HydrophobicContact CZ-CG1 3.98Å; L637-V654 HydrophobicContact CD1-CB 4.24Å; L637-V654 HydrophobicContact CD1-CG1 3.76Å; T650-V654 HydrophobicContact CG2-CG2 4.19Å; T650-V654 WeakPolarHBondContact O-CB 3.48Å; T650-V654 WeakPolarHBondContact O-CG2 3.33Å; T650-V654 PolarHBondContact O-N 3.19Å; I651-V654 PolarHBondContact O-N 3.39Å; V654-S657 PolarHBondContact O-N 3.05Å; V654-L658 PolarHBondContact O-N 3.25Å
655	M	94.9	Very high	91.5	Very high	24 Å²	24	65.7 Å²	65.7	12%	0.118	34%	0.34	C	S	.	.	H	α-helix	trans	-73.6	-27.8	-179.4	-68.5	-59.6	-62.9	0	0	112.7	F633 L634 L637 I651 D652 E653 L658 R659	F633-M655 HydrophobicContact CD1-SD 4.32Å; L634-M655 HydrophobicContact CB-CE 4.09Å; L634-M655 HydrophobicContact CB-SD 4.17Å; L634-M655 HydrophobicContact CD1-CE 4.45Å; L634-M655 HydrophobicContact CD1-CG 3.94Å; L634-M655 HydrophobicContact CD1-SD 4.12Å; L634-M655 HydrophobicContact CD2-CE 4.46Å; L637-M655 HydrophobicContact CD1-CG 4.05Å; L637-M655 HydrophobicContact CD1-SD 3.92Å; I651-M655 HydrophobicContact CG2-CG 4.28Å; I651-M655 WeakPolarHBondContact O-CB 3.47Å; I651-M655 VanDerWaalsContact O-CG 3.28Å; I651-M655 WeakPolarHBondContact O-CG 3.47Å; I651-M655 PolarHBondContact O-N 2.83Å; D652-M655 PolarHBondContact O-N 2.94Å; E653-M655 PolarHBondContact O-N 3.22Å; M655-L658 HydrophobicContact CE-CD2 4.31Å; M655-L658 HydrophobicContact SD-CD2 4.25Å; M655-R659 WeakPolarHBondContact O-CG 3.35Å; M655-R659 PolarHBondContact O-N 3.01Å; M655-R659 VanDerWaalsContact O-N 3.12Å; M655-R659 PolarHBondContact O-NH1 3.04Å
656	A	93.6	Very high	89.9	Confident	29 Å²	29	68.4 Å²	68.4	24%	0.24	36%	0.361	C	S	.	.	H	α-helix	trans	-65	-49.5	169.8	0	0	0	0	0	110.6	D652 E653 L658 R659 E660	D652-A656 VanDerWaalsContact O-CB 3.3Å; D652-A656 WeakPolarHBondContact O-CB 3.49Å; D652-A656 PolarHBondContact O-N 3.49Å; E653-A656 PolarHBondContact O-N 3.23Å; A656-L658 VanDerWaalsContact C-N 3.29Å; A656-L658 PolarHBondContact O-N 3.17Å; A656-R659 WeakPolarHBondContact O-CB 3.35Å; A656-R659 PolarHBondContact O-N 3.43Å; A656-E660 WeakPolarHBondContact O-CG 3.44Å; A656-E660 PolarHBondContact O-N 2.58Å
657	S	92.2	Very high	87.9	Confident	33 Å²	33	75.2 Å²	75.2	23%	0.231	40%	0.397	C	S	.	.	H	α-helix	trans	-57.8	-40.6	175.9	-179.2	0	0	0	0	112.4	E653 V654 R659 E660 L661	E653-S657 PolarHBondContact O-N 2.97Å; V654-S657 PolarHBondContact O-N 3.05Å; S657-R659 VanDerWaalsContact C-N 3.33Å; S657-R659 PolarHBondContact O-N 3.3Å; S657-E660 PolarHBondContact O-N 3.26Å; S657-L661 WeakPolarHBondContact O-CB 3.28Å; S657-L661 PolarHBondContact O-N 3.15Å
658	L	92	Very high	85.5	Confident	5 Å²	5	77.5 Å²	77.5	3%	0.026	42%	0.419	C	S	.	.	H	α-helix	trans	-67.3	-31.1	176.1	-168	69.6	0	0	0	113.1	V617 I624 I625 C630 F633 V654 M655 A656 K662	V617-L658 HydrophobicContact CG1-CB 4.17Å; V617-L658 HydrophobicContact CG1-CD1 3.88Å; I624-L658 HydrophobicContact CG2-CD2 4.4Å; I625-L658 HydrophobicContact CD1-CD1 3.93Å; I625-L658 HydrophobicContact CD1-CG 4.41Å; I625-L658 HydrophobicContact CG1-CD1 3.99Å; I625-L658 HydrophobicContact CG1-CG 4.34Å; C630-L658 HydrophobicContact CB-CD2 4.13Å; F633-L658 HydrophobicContact CD1-CD2 4Å; F633-L658 HydrophobicContact CE1-CD2 4.46Å; V654-L658 PolarHBondContact O-N 3.25Å; M655-L658 HydrophobicContact CE-CD2 4.31Å; M655-L658 HydrophobicContact SD-CD2 4.25Å; A656-L658 VanDerWaalsContact C-N 3.29Å; A656-L658 PolarHBondContact O-N 3.17Å; L658-K662 PolarHBondContact O-N 3.26Å; L658-K662 VanDerWaalsContact O-N 3.14Å
659	R	90.7	Very high	82.9	Confident	135 Å²	135	81.9 Å²	81.9	51%	0.509	44%	0.436	S	S	.	.	H	α-helix	trans	-73.2	-43.9	175.1	-77	-174.6	-61.3	-91.5	3.1	111.6	M655 A656 S657 L661 K662 E663	M655-R659 WeakPolarHBondContact O-CG 3.35Å; M655-R659 PolarHBondContact O-N 3.01Å; M655-R659 VanDerWaalsContact O-N 3.12Å; M655-R659 PolarHBondContact O-NH1 3.04Å; A656-R659 WeakPolarHBondContact O-CB 3.35Å; A656-R659 PolarHBondContact O-N 3.43Å; S657-R659 VanDerWaalsContact C-N 3.33Å; S657-R659 PolarHBondContact O-N 3.3Å; R659-L661 VanDerWaalsContact C-N 3.29Å; R659-L661 PolarHBondContact O-N 2.97Å; R659-K662 WeakPolarHBondContact O-CA 2.93Å; R659-K662 WeakPolarHBondContact O-CB 3.47Å; R659-K662 PolarHBondContact O-N 2.68Å; R659-E663 PolarHBondContact O-N 2.92Å
660	E	90.8	Very high	79.9	Confident	120 Å²	120	82.7 Å²	82.7	56%	0.561	45%	0.45	S	S	*	.	H	α-helix	trans	-56.5	-46.7	173.7	-70.2	170.5	-176.2	0	0	110.3	A656 S657 K662 E663 E664	A656-E660 WeakPolarHBondContact O-CG 3.44Å; A656-E660 PolarHBondContact O-N 2.58Å; S657-E660 PolarHBondContact O-N 3.26Å; E660-K662 PolarHBondContact O-N 3.27Å; E660-E663 PolarHBondContact O-N 2.91Å; E660-E663 VanDerWaalsContact O-N 3.07Å; E660-E664 PolarHBondContact O-N 2.74Å; E660-E664 VanDerWaalsContact O-N 3.08Å
661	L	89.8	Confident	77.3	Confident	43 Å²	43	90.9 Å²	90.9	23%	0.225	49%	0.488	C	S	.	.	H	α-helix	trans	-62.2	-31.3	176.1	-169.6	65.8	0	0	0	113.1	I625 S657 R659 L665	I625-L661 HydrophobicContact CD1-CB 4.06Å; I625-L661 HydrophobicContact CD1-CD2 4.05Å; I625-L661 HydrophobicContact CD1-CG 4Å; S657-L661 WeakPolarHBondContact O-CB 3.28Å; S657-L661 PolarHBondContact O-N 3.15Å; R659-L661 VanDerWaalsContact C-N 3.29Å; R659-L661 PolarHBondContact O-N 2.97Å; L661-L665 HydrophobicContact CG-CD1 4.3Å; L661-L665 WeakPolarHBondContact O-CD1 3.38Å; L661-L665 VanDerWaalsContact O-CG 3.3Å; L661-L665 WeakPolarHBondContact O-CG 3.29Å; L661-L665 PolarHBondContact O-N 3.23Å
662	K	86.5	Confident	74.4	Confident	124 Å²	124	98 Å²	98	54%	0.539	52%	0.521	S	S	.	.	H	α-helix	trans	-70.9	-35.5	175.2	-176.5	179	177.5	-176.4	0	111.9	I625 L658 R659 E660 E664 L665	I625-K662 HydrophobicContact CD1-CB 3.93Å; I625-K662 HydrophobicContact CG1-CB 4.35Å; I625-K662 HydrophobicContact CG2-CB 4.3Å; I625-K662 HydrophobicContact CG2-CD 4.5Å; I625-K662 HydrophobicContact CG2-CG 3.96Å; L658-K662 PolarHBondContact O-N 3.26Å; L658-K662 VanDerWaalsContact O-N 3.14Å; R659-K662 WeakPolarHBondContact O-CA 2.93Å; R659-K662 WeakPolarHBondContact O-CB 3.47Å; R659-K662 PolarHBondContact O-N 2.68Å; E660-K662 PolarHBondContact O-N 3.27Å; K662-E664 VanDerWaalsContact C-N 3.33Å; K662-L665 PolarHBondContact O-N 3.05Å
663	E	85.1	Confident	71.3	Confident	169 Å²	169	102 Å²	102	79%	0.79	54%	0.536	S	S	*	.	H	α-helix	trans	-71.4	-29.3	176.2	-68.4	178.8	-176.8	0	0	112.1	R659 E660	R659-E663 PolarHBondContact O-N 2.92Å; E660-E663 PolarHBondContact O-N 2.91Å; E660-E663 VanDerWaalsContact O-N 3.07Å
664	E	81.1	Confident	68.5	Low	152 Å²	152	105 Å²	105	71%	0.71	56%	0.555	S	S	*	*	H	α-helix	trans	-77.9	-19	175.7	-69.4	-175.9	168.5	0	0	114.2	E660 K662 P666	E660-E664 PolarHBondContact O-N 2.74Å; E660-E664 VanDerWaalsContact O-N 3.08Å; K662-E664 VanDerWaalsContact C-N 3.33Å; E664-P666 WeakPolarHBondContact O-CD 3.41Å
665	L	77.9	Confident	65.3	Low	49 Å²	49	114.3 Å²	114.3	26%	0.257	60%	0.599	S	S	.	*	S	Bend	trans	-93.9	109.1	179	-73.1	165.9	0	0	0	110.3	A622 I625 L661 K662	A622-L665 HydrophobicContact CB-CD1 4Å; I625-L665 HydrophobicContact CB-CD1 4.42Å; I625-L665 HydrophobicContact CD1-CD1 3.96Å; I625-L665 HydrophobicContact CG2-CD1 4.32Å; L661-L665 HydrophobicContact CG-CD1 4.3Å; L661-L665 WeakPolarHBondContact O-CD1 3.38Å; L661-L665 VanDerWaalsContact O-CG 3.3Å; L661-L665 WeakPolarHBondContact O-CG 3.29Å; L661-L665 PolarHBondContact O-N 3.23Å; K662-L665 PolarHBondContact O-N 3.05Å
666	P	59.7	Low	62.3	Low	116 Å²	116	117.7 Å²	117.7	75%	0.753	63%	0.63	S	S	*	*			trans	-65	139.1	179.2	23.1	-30.8	0	0	0	112.2	E664 A668	E664-P666 WeakPolarHBondContact O-CD 3.41Å; P666-A668 PolarHBondContact O-N 3.42Å
667	D	52	Low	59.2	Low	155 Å²	155	125.8 Å²	125.8	83%	0.829	67%	0.665	S	S	*	*			trans	-56.7	99.3	176.9	-90.1	-27.6	0	0	0	111.1	M669	D667-M669 PolarHBondContact O-N 3.02Å
668	A	44.9	Very low	56.2	Low	104 Å²	104	126.8 Å²	126.8	86%	0.86	68%	0.681	S	S	*	*			trans	-87.3	79.5	166.1	0	0	0	0	0	109.2	P666	P666-A668 PolarHBondContact O-N 3.42Å
669	M	39.1	Very low	54.1	Low	181 Å²	181	133 Å²	133	89%	0.892	72%	0.722	S	S	*	*			trans	-95.2	106.3	162	-75.3	-169.8	70.5	0	0	109.7	D667	D667-M669 PolarHBondContact O-N 3.02Å
670	G	34	Very low	51	Low	77 Å²	77	131.4 Å²	131.4	79%	0.794	74%	0.737	S	S	*	*			trans	-176.3	113.1	169.7	0	0	0	0	0	109.6
671	E	38	Very low	48	Very low	179 Å²	179	129.5 Å²	129.5	84%	0.836	75%	0.749	S	S	*	*			trans	-71.8	143.9	-162.6	-65.5	172	138	0	0	116.4
672	Q	35.7	Very low	44.9	Very low	170 Å²	170	130.5 Å²	130.5	79%	0.794	77%	0.77	S	S	*	*			trans	53.4	122.2	140.4	-67.8	174.2	12.7	0	0	121.8
673	Q	28.8	Very low	42.1	Very low	190 Å²	190	134.8 Å²	134.8	89%	0.888	78%	0.784	S	S	*	*				-163.3	149.3	110.1	-105.1	167.2	38.6	0	0	112.2
674	D	36.1	Very low	39.4	Very low	151 Å²	151	133.7 Å²	133.7	81%	0.807	78%	0.784	S	S	*	*			trans	-39.6	138.9	-177.7	-68.2	-57.3	0	0	0	116.2
675	E	29.4	Very low	37.1	Very low	195 Å²	195	130.1 Å²	130.1	91%	0.911	79%	0.788	S	S	*	*				-140.2	119.5	124.2	-87.5	-136.2	140	0	0	110	M677	E675-M677 PolarHBondContact O-N 3.33Å
676	A	30.8	Very low	34.7	Very low	94 Å²	94	133.8 Å²	133.8	78%	0.777	82%	0.818	S	S	*	*			trans	-59.7	115	167.6	0	0	0	0	0	109.6	G678	A676-G678 VanDerWaalsContact C-N 3.28Å; A676-G678 PolarHBondContact O-N 2.94Å
677	M	29.6	Very low	33.2	Very low	199 Å²	199	132.8 Å²	132.8	98%	0.98	82%	0.819	S	S	*	*			trans	-80.9	83.3	165.1	-152.1	105.8	93.6	0	0	108.3	E675	E675-M677 PolarHBondContact O-N 3.33Å
678	G	27.4	Very low	32.2	Very low	54 Å²	54	132.1 Å²	132.1	56%	0.557	82%	0.821	S	S	*	*			trans	-95.7	157.1	160.7	0	0	0	0	0	110.7	A676	A676-G678 VanDerWaalsContact C-N 3.28Å; A676-G678 PolarHBondContact O-N 2.94Å
679	P	47.8	Very low	31.3	Very low	137 Å²	137	133.8 Å²	133.8	89%	0.89	82%	0.82	S	S	*	*			trans	-85	139.7	-157	33.8	-34	0	0	0	113.1
680	A	26.8	Very low	30.8	Very low	101 Å²	101	130.6 Å²	130.6	84%	0.835	82%	0.816	S	S	*	*			trans	-141.4	120	158.3	0	0	0	0	0	106.4
681	G	26.6	Very low	30.5	Very low	79 Å²	79	132.7 Å²	132.7	81%	0.814	82%	0.818	S	S	*	*			cis	90	82.5	39.4	0	0	0	0	0	109.5
682	G	26.7	Very low	30.1	Very low	64 Å²	64	128.2 Å²	128.2	66%	0.66	82%	0.82	S	S	*	*			trans	100.3	124.6	146.4	0	0	0	0	0	119
683	Y	26.3	Very low	29.6	Very low	214 Å²	214	124 Å²	124	84%	0.839	82%	0.823	S	S	*	*			trans	99.1	107.8	142.3	-61.7	-76.8	0	0	0	120.1
684	N	28.2	Very low	29.8	Very low	147 Å²	147	124.3 Å²	124.3	79%	0.786	82%	0.821	S	S	*	*				63.4	112.6	128.7	-71.2	-16.7	0	0	0	119.9
685	G	33.5	Very low	29.6	Very low	77 Å²	77	126.3 Å²	126.3	79%	0.794	83%	0.825	S	S	*	*				83.4	83.1	115.4	0	0	0	0	0	116
686	S	27.5	Very low	29.7	Very low	125 Å²	125	120.6 Å²	120.6	87%	0.874	82%	0.819	S	S	*	*			trans	-108.4	99.1	163.9	-72.4	0	0	0	0	110.2
687	A	28	Very low	29.7	Very low	95 Å²	95	126.3 Å²	126.3	79%	0.785	83%	0.826	S	S	*	*			trans	-61	132.4	160.8	0	0	0	0	0	109.7	T689	A687-T689 PolarHBondContact O-N 3.27Å
688	V	30.4	Very low	29.7	Very low	142 Å²	142	127.7 Å²	127.7	86%	0.861	82%	0.821	S	S	*	*			trans	-60.4	120.8	173.3	175.7	0	0	0	0	110
689	T	27.8	Very low	30	Very low	139 Å²	139	132 Å²	132	85%	0.853	84%	0.836	S	S	*	*			trans	-89.2	112.5	166	43.5	0	0	0	0	109.4	A687	A687-T689 PolarHBondContact O-N 3.27Å
690	S	28.2	Very low	29.1	Very low	114 Å²	114	134.7 Å²	134.7	80%	0.797	83%	0.834	S	S	*	*			trans	-83.7	129.1	167	72.1	0	0	0	0	110.3
691	S	28.2	Very low	29.1	Very low	120 Å²	120	135.2 Å²	135.2	84%	0.839	83%	0.832	S	S	*	*			trans	-71.8	137.1	171.5	53	0	0	0	0	113.2
692	G	27.8	Very low	29.2	Very low	85 Å²	85	136.2 Å²	136.2	88%	0.876	83%	0.832	S	S	*	*			trans	103.6	105.9	138.5	0	0	0	0	0	118.5
693	G	26.4	Very low	29.3	Very low	83 Å²	83	141 Å²	141	86%	0.856	84%	0.842	S	S	*	*			trans	-178.2	110.5	166	0	0	0	0	0	114.1
694	K	33.2	Very low	29.7	Very low	195 Å²	195	137 Å²	137	85%	0.848	84%	0.84	S	S	*	*			trans	-66.1	150.3	-166.5	-71.6	167.1	175.1	175.1	0	117.2
695	Q	31.9	Very low	30	Very low	193 Å²	193	141.7 Å²	141.7	90%	0.902	87%	0.865	S	S	*	*			trans	60.6	125.8	142	-72.6	-177.5	-7.6	0	0	121
696	G	30.7	Very low	29.8	Very low	76 Å²	76	145 Å²	145	78%	0.784	87%	0.869	S	S	*	*			trans	156.7	93.1	148	0	0	0	0	0	118.4
697	K	31.8	Very low	30	Very low	213 Å²	213	146 Å²	146	93%	0.926	87%	0.868	S	S	*	*			trans	60.7	103	146	-69	-178.9	178.1	177.1	0	120.9
698	R	29.6	Very low	30.1	Very low	229 Å²	229	148.8 Å²	148.8	86%	0.864	87%	0.873	S	S	*	*			trans	-48.6	126.6	152.9	-169	-179.6	-168.5	177.9	3.5	113.4
699	T	31.9	Very low	30.1	Very low	143 Å²	143	149.2 Å²	149.2	88%	0.877	87%	0.874	S	S	*	*			trans	-144.4	136	142.6	35.3	0	0	0	0	110.3
700	K	28.9	Very low	30.2	Very low	194 Å²	194	149.9 Å²	149.9	84%	0.843	88%	0.875	S	S	*	*			trans	-70	138.2	-177	-75.5	170.9	166.1	178.4	0	111.2
701	S	26.9	Very low	30.3	Very low	112 Å²	112	152.3 Å²	152.3	78%	0.783	88%	0.88	S	S	*	*			trans	-109.7	112.4	153.9	57.7	0	0	0	0	108.8
702	A	29.1	Very low	30.5	Very low	101 Å²	101	154.6 Å²	154.6	84%	0.835	88%	0.883	S	S	*	*			trans	-81.7	126.8	162.4	0	0	0	0	0	107.9
703	L	29.1	Very low	30.7	Very low	165 Å²	165	159.9 Å²	159.9	86%	0.864	88%	0.884	S	S	*	*			trans	-80.3	126.8	162	-99.2	85.7	0	0	0	108.2
704	T	35.5	Very low	31.1	Very low	130 Å²	130	166.3 Å²	166.3	80%	0.798	89%	0.886	S	S	*	*			trans	-150.2	130.7	147.7	40.3	0	0	0	0	108.3
705	D	34.2	Very low	30.9	Very low	245 Å²	245	163.7 Å²	163.7	100%	1.31	89%	0.89	S	S	*	*			trans	68.5	0	172.1	-65	-25.5	0	0	0	120.7

Retrieved 705 of 705 residues in 241.1 ms (Link to these results)

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