A0A3Q0KC15_SCHMA Loading...

IRS-type PTB domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KC15, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 461 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	38.1	Very low	41.3	Very low	245 Å²	245	174.7 Å²	174.7	100%	1.207	87%	0.869	S	S	*	*				0	144.4	0	-144.5	166.2	-178.7	0	0	108.3
2	V	37	Very low	41.4	Very low	133 Å²	133	169.3 Å²	169.3	81%	0.806	86%	0.856	S	S	*	*			trans	-80.9	129.3	-150.5	175.6	0	0	0	0	114.8
3	L	33.6	Very low	40.9	Very low	158 Å²	158	164.6 Å²	164.6	83%	0.827	86%	0.859	S	S	*	*			trans	-66.8	134.2	164.3	-77.9	92.7	0	0	0	110.9
4	R	43.4	Very low	41.3	Very low	236 Å²	236	162.5 Å²	162.5	89%	0.891	86%	0.857	S	S	*	*			trans	-123.3	103.4	160.5	-81.4	-173.8	169.8	177.7	-2.7	110.8	K6	R4-K6 PolarHBondContact O-N 3.35Å
5	K	38.9	Very low	41.1	Very low	208 Å²	208	159 Å²	159	90%	0.904	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-58.3	131.1	163.2	-69.6	177.7	176	179.6	0	108.6
6	K	48.9	Very low	41.3	Very low	215 Å²	215	156.4 Å²	156.4	94%	0.935	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-100.9	137.6	168.7	-132.1	177.5	-176.3	-177.2	0	109.7	R4	R4-K6 PolarHBondContact O-N 3.35Å
7	K	46	Very low	41.2	Very low	194 Å²	194	152.8 Å²	152.8	84%	0.843	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-89	136.2	-163.6	-173.7	178	178.4	-177.5	0	110.7
8	T	39	Very low	40.8	Very low	131 Å²	131	151.1 Å²	151.1	80%	0.804	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-70.6	145.6	169.4	16.8	0	0	0	0	111.2
9	T	46.2	Very low	40.6	Very low	129 Å²	129	149.3 Å²	149.3	79%	0.791	84%	0.836	S	S	*	*			trans	-125.4	106.7	168.2	-47	0	0	0	0	108.5
10	P	38.2	Very low	40.2	Very low	112 Å²	112	148.8 Å²	148.8	73%	0.727	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-79	140.7	169.1	32	-31.2	0	0	0	110
11	I	45.1	Very low	40.2	Very low	161 Å²	161	148.9 Å²	148.9	83%	0.826	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-76.3	141.2	172.8	-63.6	174.3	0	0	0	108.5
12	P	42.3	Very low	39.9	Very low	109 Å²	109	141.6 Å²	141.6	71%	0.708	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-72.5	141.2	-171.6	-14.6	30	0	0	0	112.8
13	A	35.8	Very low	39.8	Very low	109 Å²	109	141.7 Å²	141.7	90%	0.901	81%	0.811	S	S	*	*			trans	-86.3	106.4	164.1	0	0	0	0	0	109.5
14	T	45.9	Very low	39.9	Very low	135 Å²	135	140.2 Å²	140.2	83%	0.828	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-87.1	118	170.7	20.5	0	0	0	0	110.6
15	S	38.6	Very low	39.4	Very low	110 Å²	110	134.6 Å²	134.6	77%	0.769	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-73.9	138.8	171.9	-166.6	0	0	0	0	110.5	A17	S15-A17 PolarHBondContact O-N 3.42Å
16	P	43.2	Very low	39.3	Very low	118 Å²	118	130.3 Å²	130.3	77%	0.766	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-74.2	120	174.9	29.7	-32.2	0	0	0	110.5
17	A	41.1	Very low	38.4	Very low	94 Å²	94	128.2 Å²	128.2	78%	0.777	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-72.6	132.4	171.6	0	0	0	0	0	110.6	S15 T19	S15-A17 PolarHBondContact O-N 3.42Å; A17-T19 PolarHBondContact O-N 3.33Å
18	S	33.2	Very low	38.1	Very low	123 Å²	123	125 Å²	125	86%	0.86	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-70.9	120.7	174.2	-52.8	0	0	0	0	110.8
19	T	37.9	Very low	37.8	Very low	117 Å²	117	124.5 Å²	124.5	72%	0.718	79%	0.789	S	S	*	*			trans	-127.4	116.2	166	-56.3	0	0	0	0	109.4	A17 I21	A17-T19 PolarHBondContact O-N 3.33Å; T19-I21 HydrophobicContact CG2-CG1 4.35Å; T19-I21 PolarHBondContact O-N 3.48Å
20	T	31.1	Very low	37.2	Very low	139 Å²	139	123.8 Å²	123.8	85%	0.853	79%	0.787	S	S	*	*			trans	-70.3	122.7	175.8	-50.1	0	0	0	0	110
21	I	41	Very low	36.9	Very low	150 Å²	150	124.9 Å²	124.9	77%	0.769	79%	0.792	S	S	*	*			trans	-129.8	125.8	168.5	-54.6	-178.9	0	0	0	108.5	T19	T19-I21 HydrophobicContact CG2-CG1 4.35Å; T19-I21 PolarHBondContact O-N 3.48Å
22	S	32.1	Very low	36.4	Very low	92 Å²	92	123 Å²	123	64%	0.643	78%	0.783	S	S	*	*			trans	-66.5	148.9	-178.9	-50.5	0	0	0	0	112.1	T24	S22-T24 PolarHBondContact O-N 3.22Å
23	P	34.8	Very low	36.1	Very low	136 Å²	136	124.2 Å²	124.2	88%	0.883	79%	0.788	S	S	*	*			trans	-73.4	121.5	178.1	30.5	-33.2	0	0	0	110.3
24	T	35.9	Very low	35.9	Very low	126 Å²	126	125.4 Å²	125.4	77%	0.773	78%	0.779	S	S	*	*			trans	-121.6	122.5	164	-46.5	0	0	0	0	108.2	S22 T26	S22-T24 PolarHBondContact O-N 3.22Å; T24-T26 PolarHBondContact O-N 2.85Å
25	S	31.4	Very low	35.3	Very low	118 Å²	118	124.8 Å²	124.8	83%	0.825	78%	0.775	S	S	*	*			trans	-75.7	115.6	-173.3	50.5	0	0	0	0	112
26	T	36.9	Very low	34.9	Very low	119 Å²	119	125.7 Å²	125.7	73%	0.73	77%	0.771	S	S	*	*			trans	-138.6	124.5	160.3	43.2	0	0	0	0	109.7	T24 T28	T24-T26 PolarHBondContact O-N 2.85Å; T26-T28 PolarHBondContact O-N 3.14Å
27	N	31.2	Very low	34.5	Very low	170 Å²	170	127.6 Å²	127.6	91%	0.909	77%	0.77	S	S	*	*			trans	-69.2	110.6	175.2	-74.6	-21.6	0	0	0	109.9
28	T	38.7	Very low	34.3	Very low	128 Å²	128	127.8 Å²	127.8	79%	0.785	77%	0.765	S	S	*	*			trans	-108.5	103.9	163.6	44.4	0	0	0	0	109.6	T26	T26-T28 PolarHBondContact O-N 3.14Å
29	T	32.6	Very low	34.8	Very low	120 Å²	120	126.8 Å²	126.8	74%	0.736	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-54.8	133.2	171.2	-48.1	0	0	0	0	110.4	T31	T29-T31 PolarHBondContact O-N 3.37Å
30	P	34.3	Very low	35.7	Very low	113 Å²	113	125.5 Å²	125.5	73%	0.734	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-68.2	120.6	171.5	28.2	-32.6	0	0	0	109.4	L32	P30-L32 PolarHBondContact O-N 3.23Å
31	T	32.5	Very low	37.7	Very low	136 Å²	136	128.4 Å²	128.4	83%	0.834	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-61.7	124.6	179.7	-25.9	0	0	0	0	110.3	T29 V33	T29-T31 PolarHBondContact O-N 3.37Å; T31-V33 PolarHBondContact O-N 3.04Å
32	L	34.1	Very low	39.7	Very low	122 Å²	122	127 Å²	127	64%	0.639	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-60	133.6	172.5	-94.8	89.8	0	0	0	110	P30	P30-L32 PolarHBondContact O-N 3.23Å
33	V	36.6	Very low	42.6	Very low	134 Å²	134	125.3 Å²	125.3	81%	0.812	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-81.1	126.9	167.4	-179	0	0	0	0	108.2	T31 V35	T31-V33 PolarHBondContact O-N 3.04Å; V33-V35 PolarHBondContact O-N 3.22Å
34	D	30.2	Very low	45.4	Very low	134 Å²	134	122.2 Å²	122.2	72%	0.717	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-55.7	124.1	-171.6	-140.2	-31.7	0	0	0	113.1	N36	D34-N36 PolarHBondContact O-N 3.47Å; D34-N36 PolarHBondContact OD1-ND2 3.42Å
35	V	34	Very low	48.2	Very low	121 Å²	121	117 Å²	117	73%	0.733	67%	0.672	S	S	*	*			trans	-86	63.6	179.2	-172.2	0	0	0	0	109.8	V33	V33-V35 PolarHBondContact O-N 3.22Å
36	N	29.7	Very low	51.3	Low	130 Å²	130	116.5 Å²	116.5	70%	0.695	66%	0.655	S	S	*	*			trans	-107.4	68.1	167.4	-90.6	-57.5	0	0	0	109.7	D34 S38	D34-N36 PolarHBondContact O-N 3.47Å; D34-N36 PolarHBondContact OD1-ND2 3.42Å; N36-S38 PolarHBondContact O-N 3.38Å
37	Q	35.8	Very low	54	Low	158 Å²	158	110.9 Å²	110.9	74%	0.738	62%	0.62	S	S	*	*			trans	-74.3	78.3	170.7	-69.6	-166.6	17.2	0	0	110.4	A39	Q37-A39 PolarHBondContact O-N 2.99Å
38	S	35.6	Very low	57	Low	98 Å²	98	106 Å²	106	69%	0.685	59%	0.591	S	S	*	*			trans	-50.9	136	151.6	57.8	0	0	0	0	108.3	N36 K40	N36-S38 PolarHBondContact O-N 3.38Å; S38-K40 PolarHBondContact O-N 3.08Å
39	A	44	Very low	59.4	Low	101 Å²	101	100.1 Å²	100.1	84%	0.835	56%	0.555	S	S	*	*			trans	-53.9	102.2	-172.7	0	0	0	0	0	110.6	Q37 K41	Q37-A39 PolarHBondContact O-N 2.99Å; A39-K41 PolarHBondContact O-N 3.28Å
40	K	57.3	Low	62.1	Low	90 Å²	90	96.5 Å²	96.5	39%	0.391	53%	0.529	S	S	.	.			trans	-64.5	103.4	-172.5	-71.1	-172.5	-176.7	-178.2	0	108.7	S38 Y42 E92	S38-K40 PolarHBondContact O-N 3.08Å; K40-Y42 HydrophobicContact CB-CE1 4.28Å; K40-Y42 PolarHBondContact O-N 3.41Å; K40-E92 WeakPolarHBondContact CD-OE1 3.5Å; K40-E92 IonicContact NZ-OE1 2.89Å; K40-E92 PolarHBondContact NZ-OE1 3.14Å; K40-E92 IonicContact NZ-OE2 3.22Å; K40-E92 PolarHBondContact NZ-OE2 2.91Å
41	K	72.9	Confident	64.6	Low	201 Å²	201	91.5 Å²	91.5	87%	0.874	50%	0.496	S	S	*	.			trans	-70.1	94.8	177.8	-173.3	177.8	-179.4	179.8	0	109	A39	A39-K41 PolarHBondContact O-N 3.28Å
42	Y	84.3	Confident	67.1	Low	121 Å²	121	85 Å²	85	48%	0.475	46%	0.456	S	S	.	.			trans	-60.2	140.4	174.6	-60.7	-58.5	0	0	0	111.1	K40 L90 T91	K40-Y42 HydrophobicContact CB-CE1 4.28Å; K40-Y42 PolarHBondContact O-N 3.41Å; Y42-L90 WeakPolarHBondContact CB-O 3.21Å; Y42-T91 HydrophobicContact CD1-CG2 3.97Å; Y42-T91 HydrophobicContact CD2-CG2 4.34Å; Y42-T91 HydrophobicContact CE1-CG2 4.16Å; Y42-T91 HydrophobicContact CG-CG2 4.07Å
43	S	91.1	Very high	69.6	Low	55 Å²	55	79.2 Å²	79.2	39%	0.385	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.3	178.6	-58	0	0	0	0	109.7	L90	S43-L90 PolarHBondContact O-N 3.47Å
44	S	93.5	Very high	72	Confident	71 Å²	71	74.7 Å²	74.7	50%	0.497	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.1	179.7	62.9	0	0	0	0	111.2	L88	S44-L88 WeakPolarHBondContact CA-O 3.43Å
45	F	96.1	Very high	74.7	Confident	18 Å²	18	68.7 Å²	68.7	8%	0.079	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	137.5	-171.3	-63.1	-92.9	0	0	0	110.1	V47 L88 L90 E156 L157	F45-V47 HydrophobicContact CB-CG1 4.49Å; F45-L88 PolarHBondContact N-O 3.01Å; F45-L88 PolarHBondContact O-N 3.38Å; F45-L90 HydrophobicContact CD2-CD1 4.28Å; F45-L90 HydrophobicContact CD2-CG 4.5Å; F45-L90 HydrophobicContact CE2-CD1 3.87Å; F45-L90 HydrophobicContact CE2-CG 4.44Å; F45-E156 HydrophobicContact CE1-CB 4.26Å; F45-E156 HydrophobicContact CE1-CG 4.03Å; F45-E156 HydrophobicContact CZ-CG 4.25Å; F45-L157 HydrophobicContact CB-CD1 4.07Å; F45-L157 HydrophobicContact CB-CD2 4.38Å; F45-L157 HydrophobicContact CD1-CB 3.87Å; F45-L157 HydrophobicContact CD1-CD1 4.35Å; F45-L157 HydrophobicContact CD2-CB 4.44Å; F45-L157 HydrophobicContact CD2-CD1 3.49Å; F45-L157 VanDerWaalsContact CD2-CD1 3.49Å; F45-L157 HydrophobicContact CE1-CB 3.99Å; F45-L157 HydrophobicContact CE2-CD1 3.93Å; F45-L157 HydrophobicContact CG-CB 4.1Å; F45-L157 HydrophobicContact CG-CD1 3.72Å; F45-L157 HydrophobicContact CG-CG 4.35Å; F45-L157 HydrophobicContact CZ-CB 4.32Å
46	K	95.4	Very high	77.2	Confident	107 Å²	107	65.9 Å²	65.9	47%	0.465	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	119.8	173.2	-173.1	177.1	-178.7	179	0	109	L86 V149	K46-L86 WeakPolarHBondContact CA-O 3.41Å; K46-V149 HydrophobicContact CB-CG2 4.09Å; K46-V149 HydrophobicContact CD-CG2 4.4Å; K46-V149 HydrophobicContact CG-CG2 4.37Å
47	V	95.1	Very high	79.9	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	158.7	179.8	-57.6	0	0	0	0	110.4	F45 S85 L86 L88 F129 F146 L157	F45-V47 HydrophobicContact CB-CG1 4.49Å; V47-S85 CarbonylContact O-C 3.56Å; V47-S85 WeakPolarHBondContact O-CA 3.43Å; V47-L86 HydrophobicContact CG2-CB 3.97Å; V47-L86 PolarHBondContact N-O 2.97Å; V47-L86 PolarHBondContact O-N 3.3Å; V47-L88 HydrophobicContact CG1-CB 4.32Å; V47-L88 HydrophobicContact CG1-CD2 4.43Å; V47-L88 HydrophobicContact CG2-CB 4.03Å; V47-F129 HydrophobicContact CG1-CZ 4.15Å; V47-F146 HydrophobicContact CB-CD1 4.35Å; V47-F146 HydrophobicContact CG2-CD1 3.9Å; V47-F146 HydrophobicContact CG2-CE1 4.29Å; V47-L157 HydrophobicContact CG1-CD2 3.76Å
48	F	92.9	Very high	82.3	Confident	66 Å²	66	61.8 Å²	61.8	29%	0.289	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.2	175.7	-58.3	-92	0	0	0	107.8	F146 S147 V149	F48-F146 CarbonylContact O-C 3.55Å; F48-F146 WeakPolarHBondContact O-CA 3.25Å; F48-S147 WeakPolarHBondContact CD2-O 3.44Å; F48-S147 PolarHBondContact N-O 3.46Å; F48-S147 PolarHBondContact O-N 2.97Å; F48-V149 HydrophobicContact CE2-CG2 4.21Å
49	I	90.3	Very high	84.7	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.026	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	126.9	175	-170.8	167.2	0	0	0	109.4	L86 L101 F146	I49-L86 HydrophobicContact CB-CD1 3.86Å; I49-L86 HydrophobicContact CG2-CD1 3.9Å; I49-L101 HydrophobicContact CD1-CD1 4.45Å; I49-L101 HydrophobicContact CG2-CD1 4.38Å; I49-F146 HydrophobicContact CB-CD1 3.96Å; I49-F146 HydrophobicContact CB-CE1 3.91Å; I49-F146 HydrophobicContact CD1-CE1 4.17Å; I49-F146 HydrophobicContact CG1-CD1 4.28Å; I49-F146 HydrophobicContact CG1-CE1 4.04Å
50	E	87.8	Confident	86.7	Confident	45 Å²	45	61.3 Å²	61.3	21%	0.21	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-55.2	175.9	-61.1	-169.4	178.9	0	0	110.5	K128 V145 S147	E50-K128 WeakPolarHBondContact OE1-CE 3.35Å; E50-K128 IonicContact OE1-NZ 3.35Å; E50-K128 PolarHBondContact OE1-NZ 3.11Å; E50-K128 WeakPolarHBondContact OE2-CE 3.14Å; E50-K128 IonicContact OE2-NZ 2.91Å; E50-K128 PolarHBondContact OE2-NZ 3Å; E50-V145 HydrophobicContact CB-CG1 4.42Å; E50-V145 PolarHBondContact N-O 2.81Å; E50-S147 PolarHBondContact OE1-OG 2.74Å
51	Y	86.7	Confident	88.2	Confident	7 Å²	7	57.7 Å²	57.7	3%	0.027	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	166.1	-178.6	58.3	-87.7	0	0	0	111.7	V53 L66 V70 K73 F79 V145	Y51-V53 HydrophobicContact CD2-CG2 3.68Å; Y51-V53 HydrophobicContact CE2-CG2 3.81Å; Y51-L66 PolarHBondContact OH-O 3.31Å; Y51-V70 HydrophobicContact CD1-CG2 4.12Å; Y51-V70 HydrophobicContact CE1-CG2 4.12Å; Y51-K73 HydrophobicContact CE2-CD 4.01Å; Y51-K73 PolarHBondContact OH-NZ 2.69Å; Y51-F79 WeakPolarHBondContact CA-O 3.36Å; Y51-F79 WeakPolarHBondContact CB-O 3.35Å; Y51-V145 HydrophobicContact CD1-CB 4.29Å; Y51-V145 HydrophobicContact CD1-CG1 4.43Å; Y51-V145 HydrophobicContact CD2-CB 4.16Å; Y51-V145 HydrophobicContact CD2-CG2 4.06Å; Y51-V145 HydrophobicContact CE1-CB 3.86Å; Y51-V145 HydrophobicContact CE1-CG1 3.69Å; Y51-V145 HydrophobicContact CE1-CG2 4.28Å; Y51-V145 HydrophobicContact CE2-CB 3.76Å; Y51-V145 HydrophobicContact CE2-CG1 4.34Å; Y51-V145 HydrophobicContact CE2-CG2 3.36Å; Y51-V145 HydrophobicContact CG-CB 4.39Å; Y51-V145 VanDerWaalsContact CZ-CG2 3.45Å; Y51-V145 PolarHBondContact O-N 2.85Å; Y51-V145 WeakPolarHBondContact OH-CG2 3.29Å
52	C	86.6	Confident	89.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.1	172.2	-176.3	0	0	0	0	109.9	V77 K78 F79 I143 H144	C52-V77 CarbonylContact O-C 3.55Å; C52-V77 WeakPolarHBondContact O-CA 3.31Å; C52-K78 PolarHBondContact O-N 3.1Å; C52-F79 HydrophobicContact CB-CB 4.23Å; C52-F79 HydrophobicContact CB-CD2 3.9Å; C52-F79 PolarHBondContact N-O 3.07Å; C52-I143 VanDerWaalsContact CA-O 3.31Å; C52-I143 WeakPolarHBondContact CA-O 3.12Å; C52-H144 PolarHBondContact SG-CE1 3.21Å
53	V	86.4	Confident	89.4	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132	178.5	-169	0	0	0	0	109.8	Y51 I55 V77 I143	Y51-V53 HydrophobicContact CD2-CG2 3.68Å; Y51-V53 HydrophobicContact CE2-CG2 3.81Å; V53-I55 HydrophobicContact CG1-CG2 4.17Å; V53-V77 HydrophobicContact CG2-CG2 4.38Å; V53-I143 HydrophobicContact CB-CB 4.45Å; V53-I143 PolarHBondContact N-O 2.93Å; V53-I143 PolarHBondContact O-N 2.84Å
54	E	86.3	Confident	89.4	Confident	39 Å²	39	51.2 Å²	51.2	18%	0.182	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	133	166.6	-174.7	164.5	88.3	0	0	111.5	I76 K78 K140 L142	E54-I76 PolarHBondContact N-O 3.1Å; E54-I76 VanDerWaalsContact N-O 3.14Å; E54-K78 HydrophobicContact CB-CD 4.2Å; E54-K78 WeakPolarHBondContact OE1-CE 3.13Å; E54-K78 IonicContact OE1-NZ 2.62Å; E54-K78 PolarHBondContact OE1-NZ 3.39Å; E54-K78 WeakPolarHBondContact OE2-CE 3.35Å; E54-K78 IonicContact OE2-NZ 2.67Å; E54-K78 PolarHBondContact OE2-NZ 3.3Å; E54-K140 HydrophobicContact CG-CB 4.48Å; E54-K140 HydrophobicContact CG-CD 4.1Å; E54-L142 HydrophobicContact CB-CD2 3.64Å; E54-L142 HydrophobicContact CG-CD2 4.01Å
55	I	87.5	Confident	89.2	Confident	7 Å²	7	51.3 Å²	51.3	4%	0.036	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	162.8	175.8	64.5	174.5	0	0	0	110.4	V53 R141 I143	V53-I55 HydrophobicContact CG1-CG2 4.17Å; I55-R141 VanDerWaalsContact CD1-NH2 3.31Å; I55-R141 HydrophobicContact CG1-CB 4.06Å; I55-R141 PolarHBondContact N-O 2.97Å; I55-R141 PolarHBondContact O-N 3.26Å; I55-I143 HydrophobicContact CD1-CD1 3.68Å; I55-I143 HydrophobicContact CD1-CG1 3.72Å; I55-I143 HydrophobicContact CG1-CD1 4.4Å; I55-I143 HydrophobicContact CG1-CG1 4.17Å
56	D	86.8	Confident	88.9	Confident	62 Å²	62	50.6 Å²	50.6	33%	0.332	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	153.8	172.6	-54.9	-44.7	0	0	0	111.3	N58 Q59 G139 K140	D56-N58 PolarHBondContact O-N 2.94Å; D56-N58 VanDerWaalsContact O-N 3.12Å; D56-Q59 HydrophobicContact CB-CG 4.08Å; D56-Q59 PolarHBondContact O-N 3.17Å; D56-Q59 VanDerWaalsContact O-N 3.09Å; D56-Q59 PolarHBondContact OD2-NE2 2.8Å; D56-G139 CarbonylContact C-O 3.49Å; D56-G139 WeakPolarHBondContact CA-O 3.37Å; D56-K140 IonicContact OD1-NZ 3.86Å; D56-K140 PolarHBondContact OD1-NZ 3.43Å
57	A	85.6	Confident	88.6	Confident	41 Å²	41	47.7 Å²	47.7	34%	0.339	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.1	179.3	0	0	0	0	0	114.2	G139 R141	A57-G139 PolarHBondContact N-O 3.39Å; A57-R141 HydrophobicContact CB-CG 4.33Å; A57-R141 PolarHBondContact O-NE 3.48Å
58	N	85.7	Confident	88.1	Confident	162 Å²	162	48.9 Å²	48.9	87%	0.866	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-7.6	-178.1	-60.2	-14.8	0	0	0	113.6	D56	D56-N58 PolarHBondContact O-N 2.94Å; D56-N58 VanDerWaalsContact O-N 3.12Å
59	Q	86.4	Confident	87.1	Confident	78 Å²	78	49.9 Å²	49.9	36%	0.364	27%	0.274	S	S	.	.	S	Bend	trans	-86.2	136.8	177.6	-68.9	-178.6	26.2	0	0	110.3	D56 R141	D56-Q59 HydrophobicContact CB-CG 4.08Å; D56-Q59 PolarHBondContact O-N 3.17Å; D56-Q59 VanDerWaalsContact O-N 3.09Å; D56-Q59 PolarHBondContact OD2-NE2 2.8Å; Q59-R141 PolarHBondContact O-NH2 2.93Å
60	T	86.9	Confident	86.1	Confident	110 Å²	110	52.9 Å²	52.9	68%	0.675	29%	0.293	S	S	*	.			trans	-86.4	139.4	171.9	51.7	0	0	0	0	111.4	Q65	T60-Q65 PolarHBondContact O-NE2 2.93Å; T60-Q65 PolarHBondContact O-OE1 2.95Å
61	Y	88.6	Confident	84.6	Confident	14 Å²	14	56.3 Å²	56.3	6%	0.055	32%	0.322	C	S	.	.			trans	-107.5	142.8	165.9	-156.8	-95	0	0	0	108.7	Q65 L66 I120 I143	Y61-Q65 HydrophobicContact CD2-CB 4.16Å; Y61-Q65 HydrophobicContact CE1-CB 4.24Å; Y61-Q65 HydrophobicContact CE2-CB 3.87Å; Y61-Q65 HydrophobicContact CG-CB 4.49Å; Y61-Q65 PolarHBondContact OH-O 3.41Å; Y61-L66 HydrophobicContact CE1-CB 3.95Å; Y61-I120 HydrophobicContact CD1-CD1 3.76Å; Y61-I120 HydrophobicContact CG-CD1 4.34Å; Y61-I120 WeakPolarHBondContact O-CD1 3.26Å; Y61-I143 HydrophobicContact CD1-CG1 4.33Å; Y61-I143 HydrophobicContact CD1-CG2 3.79Å; Y61-I143 HydrophobicContact CD2-CG1 3.91Å; Y61-I143 HydrophobicContact CD2-CG2 4.49Å; Y61-I143 HydrophobicContact CE1-CG2 3.71Å; Y61-I143 HydrophobicContact CE2-CG1 4.4Å; Y61-I143 HydrophobicContact CE2-CG2 4.41Å; Y61-I143 HydrophobicContact CG-CD1 4.19Å; Y61-I143 HydrophobicContact CG-CG1 3.85Å; Y61-I143 HydrophobicContact CG-CG2 4.18Å
62	T	91.1	Very high	82.9	Confident	56 Å²	56	60 Å²	60	34%	0.344	35%	0.345	S	S	.	.			trans	-139.1	161.5	-171.3	65.5	0	0	0	0	110.9	Q64 Q65 L66	T62-Q64 PolarHBondContact O-N 3.41Å; T62-Q64 VanDerWaalsContact O-N 3.08Å; T62-Q65 PolarHBondContact O-N 3.36Å; T62-Q65 PolarHBondContact OG1-OE1 3.11Å; T62-L66 PolarHBondContact O-N 3.24Å
63	S	91.3	Very high	81.7	Confident	23 Å²	23	61.3 Å²	61.3	16%	0.161	35%	0.351	C	S	.	.	H	α-helix	trans	-52.6	-32.5	173.7	-50	0	0	0	0	112.9	Q65 L66 D67 E121	S63-Q65 PolarHBondContact O-N 2.95Å; S63-L66 WeakPolarHBondContact O-CB 3.39Å; S63-L66 PolarHBondContact O-N 2.88Å; S63-D67 VanDerWaalsContact O-CB 3.29Å; S63-D67 WeakPolarHBondContact O-CB 3.28Å; S63-D67 PolarHBondContact O-N 2.93Å; S63-E121 WeakPolarHBondContact CB-O 3.26Å; S63-E121 PolarHBondContact OG-O 2.97Å
64	Q	89.7	Confident	80.1	Confident	163 Å²	163	69.4 Å²	69.4	76%	0.762	39%	0.388	S	S	*	.	H	α-helix	trans	-68.1	-34.6	178.1	-173.9	176.8	-3.6	0	0	112.2	T62 A68	T62-Q64 PolarHBondContact O-N 3.41Å; T62-Q64 VanDerWaalsContact O-N 3.08Å; Q64-A68 WeakPolarHBondContact O-CB 3.41Å; Q64-A68 PolarHBondContact O-N 3.33Å
65	Q	89.3	Confident	78.8	Confident	72 Å²	72	69.1 Å²	69.1	34%	0.336	40%	0.396	S	S	.	.	H	α-helix	trans	-76.1	-34.6	173.3	-71	150.1	-65.7	0	0	111.7	T60 Y61 T62 S63 A68 K73	T60-Q65 PolarHBondContact O-NE2 2.93Å; T60-Q65 PolarHBondContact O-OE1 2.95Å; Y61-Q65 HydrophobicContact CD2-CB 4.16Å; Y61-Q65 HydrophobicContact CE1-CB 4.24Å; Y61-Q65 HydrophobicContact CE2-CB 3.87Å; Y61-Q65 HydrophobicContact CG-CB 4.49Å; Y61-Q65 PolarHBondContact OH-O 3.41Å; T62-Q65 PolarHBondContact O-N 3.36Å; T62-Q65 PolarHBondContact OG1-OE1 3.11Å; S63-Q65 PolarHBondContact O-N 2.95Å; Q65-A68 PolarHBondContact O-N 3.47Å; Q65-K73 WeakPolarHBondContact O-CE 3.45Å
66	L	89.9	Confident	77.5	Confident	3 Å²	3	74.4 Å²	74.4	2%	0.016	42%	0.423	C	S	.	.	H	α-helix	trans	-59.1	-49.2	172.6	178.4	53.8	0	0	0	111.3	Y51 Y61 T62 S63 A68 K73 I120 K128 A130 V145	Y51-L66 PolarHBondContact OH-O 3.31Å; Y61-L66 HydrophobicContact CE1-CB 3.95Å; T62-L66 PolarHBondContact O-N 3.24Å; S63-L66 WeakPolarHBondContact O-CB 3.39Å; S63-L66 PolarHBondContact O-N 2.88Å; L66-A68 VanDerWaalsContact C-N 3.29Å; L66-A68 PolarHBondContact O-N 3.16Å; L66-K73 PolarHBondContact O-NZ 3Å; L66-I120 HydrophobicContact CD2-CG2 4.02Å; L66-I120 WeakPolarHBondContact CD2-O 3.32Å; L66-K128 HydrophobicContact CD1-CD 4.27Å; L66-K128 HydrophobicContact CD1-CG 4.31Å; L66-A130 HydrophobicContact CD1-CB 4.14Å; L66-A130 HydrophobicContact CD2-CB 4.25Å; L66-V145 HydrophobicContact CD1-CB 4.21Å; L66-V145 HydrophobicContact CD1-CG1 3.5Å; L66-V145 HydrophobicContact CD1-CG2 3.66Å
67	D	89	Confident	76.4	Confident	46 Å²	46	73.8 Å²	73.8	25%	0.246	42%	0.421	C	S	.	.	S	Bend	trans	-75.8	-13.7	-177.1	-62.2	-13	0	0	0	113.3	S63 S122 K123 S124	S63-D67 VanDerWaalsContact O-CB 3.29Å; S63-D67 WeakPolarHBondContact O-CB 3.28Å; S63-D67 PolarHBondContact O-N 2.93Å; D67-S122 VanDerWaalsContact OD1-CA 3.25Å; D67-S122 WeakPolarHBondContact OD1-CA 3.28Å; D67-S122 WeakPolarHBondContact OD1-CB 3.32Å; D67-S122 PolarHBondContact OD1-OG 3.5Å; D67-K123 PolarHBondContact OD1-N 2.81Å; D67-K123 WeakPolarHBondContact OD2-CA 3.44Å; D67-K123 WeakPolarHBondContact OD2-CB 3.49Å; D67-K123 PolarHBondContact OD2-N 2.68Å; D67-S124 WeakPolarHBondContact CB-OG 3.41Å; D67-S124 VanDerWaalsContact CG-OG 3.26Å; D67-S124 PolarHBondContact OD1-OG 2.96Å; D67-S124 PolarHBondContact OD2-N 2.79Å
68	A	84.6	Confident	75.4	Confident	27 Å²	27	75.4 Å²	75.4	22%	0.223	42%	0.42	C	S	.	.	S	Bend	trans	-68.5	149.3	177.3	0	0	0	0	0	112	Q64 Q65 L66 K73	Q64-A68 WeakPolarHBondContact O-CB 3.41Å; Q64-A68 PolarHBondContact O-N 3.33Å; Q65-A68 PolarHBondContact O-N 3.47Å; L66-A68 VanDerWaalsContact C-N 3.29Å; L66-A68 PolarHBondContact O-N 3.16Å; A68-K73 WeakPolarHBondContact O-CE 3.32Å; A68-K73 PolarHBondContact O-NZ 2.97Å
69	P	72.2	Confident	74.3	Confident	86 Å²	86	70.9 Å²	70.9	56%	0.558	39%	0.393	S	S	*	.			trans	-54.8	142.3	171.7	-23.4	33.3	0	0	0	111.5	S71 V72	P69-S71 PolarHBondContact O-N 2.87Å; P69-S71 VanDerWaalsContact O-N 3.1Å; P69-V72 HydrophobicContact CB-CG2 4.22Å; P69-V72 HydrophobicContact CG-CG2 4.45Å; P69-V72 PolarHBondContact O-N 3.39Å
70	V	70.1	Confident	73	Confident	68 Å²	68	71.6 Å²	71.6	41%	0.412	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-57.5	-32	-173.7	179.2	0	0	0	0	112.4	Y51 V72 K73 V77	Y51-V70 HydrophobicContact CD1-CG2 4.12Å; Y51-V70 HydrophobicContact CE1-CG2 4.12Å; V70-V72 PolarHBondContact O-N 2.95Å; V70-K73 PolarHBondContact O-N 3.35Å; V70-V77 HydrophobicContact CG1-CG2 4.28Å
71	S	56.2	Low	71.5	Confident	118 Å²	118	69.4 Å²	69.4	83%	0.825	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-64.8	-15.3	176.7	50	0	0	0	0	115.7	P69	P69-S71 PolarHBondContact O-N 2.87Å; P69-S71 VanDerWaalsContact O-N 3.1Å
72	V	51.4	Low	70	Confident	85 Å²	85	74.1 Å²	74.1	52%	0.515	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-99.6	-0.8	-175.8	-169.5	0	0	0	0	111.8	P69 V70 H74	P69-V72 HydrophobicContact CB-CG2 4.22Å; P69-V72 HydrophobicContact CG-CG2 4.45Å; P69-V72 PolarHBondContact O-N 3.39Å; V70-V72 PolarHBondContact O-N 2.95Å; V72-H74 PolarHBondContact O-N 3.5Å; V72-H74 PolarHBondContact O-ND1 2.99Å
73	K	60.3	Low	68.3	Low	27 Å²	27	78.4 Å²	78.4	12%	0.117	43%	0.433	C	S	.	.			trans	-77.5	113.3	-170.3	-69.2	175.9	-175.6	170.6	0	110.6	Y51 Q65 L66 A68 V70 G75	Y51-K73 HydrophobicContact CE2-CD 4.01Å; Y51-K73 PolarHBondContact OH-NZ 2.69Å; Q65-K73 WeakPolarHBondContact O-CE 3.45Å; L66-K73 PolarHBondContact O-NZ 3Å; A68-K73 WeakPolarHBondContact O-CE 3.32Å; A68-K73 PolarHBondContact O-NZ 2.97Å; V70-K73 PolarHBondContact O-N 3.35Å; K73-G75 VanDerWaalsContact C-N 3.31Å; K73-G75 PolarHBondContact O-N 3.38Å
74	H	53.4	Low	67.3	Low	171 Å²	171	83.2 Å²	83.2	79%	0.792	45%	0.447	S	S	*	.	S	Bend	trans	-73.2	87.4	173.7	-68.1	56.6	0	0	0	108.4	V72	V72-H74 PolarHBondContact O-N 3.5Å; V72-H74 PolarHBondContact O-ND1 2.99Å
75	G	58.3	Low	67.3	Low	33 Å²	33	77.7 Å²	77.7	34%	0.34	43%	0.427	S	S	.	.	S	Bend	trans	164.3	154.7	-177	0	0	0	0	0	110.4	K73 V77	K73-G75 VanDerWaalsContact C-N 3.31Å; K73-G75 PolarHBondContact O-N 3.38Å; G75-V77 PolarHBondContact O-N 3.41Å; G75-V77 VanDerWaalsContact O-N 3.15Å
76	I	61.3	Low	67.4	Low	118 Å²	118	74.5 Å²	74.5	61%	0.605	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	108.8	177.1	-58.6	176.2	0	0	0	107.3	E54 K78	E54-I76 PolarHBondContact N-O 3.1Å; E54-I76 VanDerWaalsContact N-O 3.14Å; I76-K78 HydrophobicContact CG2-CG 4.11Å; I76-K78 PolarHBondContact O-N 2.85Å; I76-K78 VanDerWaalsContact O-N 3.09Å
77	V	63.8	Low	67.6	Low	48 Å²	48	77.4 Å²	77.4	29%	0.291	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	103.4	169.3	-178.1	0	0	0	0	107.3	C52 V53 V70 G75 V80	C52-V77 CarbonylContact O-C 3.55Å; C52-V77 WeakPolarHBondContact O-CA 3.31Å; V53-V77 HydrophobicContact CG2-CG2 4.38Å; V70-V77 HydrophobicContact CG1-CG2 4.28Å; G75-V77 PolarHBondContact O-N 3.41Å; G75-V77 VanDerWaalsContact O-N 3.15Å; V77-V80 HydrophobicContact CG1-CG2 3.78Å
78	K	64.5	Low	67.9	Low	75 Å²	75	75.2 Å²	75.2	33%	0.326	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-26.8	-174.1	-69.8	-164.8	172.6	-178.6	0	113	C52 E54 I76 P104	C52-K78 PolarHBondContact O-N 3.1Å; E54-K78 HydrophobicContact CB-CD 4.2Å; E54-K78 WeakPolarHBondContact OE1-CE 3.13Å; E54-K78 IonicContact OE1-NZ 2.62Å; E54-K78 PolarHBondContact OE1-NZ 3.39Å; E54-K78 WeakPolarHBondContact OE2-CE 3.35Å; E54-K78 IonicContact OE2-NZ 2.67Å; E54-K78 PolarHBondContact OE2-NZ 3.3Å; I76-K78 HydrophobicContact CG2-CG 4.11Å; I76-K78 PolarHBondContact O-N 2.85Å; I76-K78 VanDerWaalsContact O-N 3.09Å; K78-P104 HydrophobicContact CD-CG 3.75Å
79	F	62	Low	68.4	Low	68 Å²	68	77.2 Å²	77.2	30%	0.298	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	137.2	-179.7	-63.8	-59.3	0	0	0	112.1	Y51 C52 P104	Y51-F79 WeakPolarHBondContact CA-O 3.36Å; Y51-F79 WeakPolarHBondContact CB-O 3.35Å; C52-F79 HydrophobicContact CB-CB 4.23Å; C52-F79 HydrophobicContact CB-CD2 3.9Å; C52-F79 PolarHBondContact N-O 3.07Å; F79-P104 HydrophobicContact CE2-CB 3.98Å; F79-P104 HydrophobicContact CE2-CG 3.69Å; F79-P104 HydrophobicContact CZ-CB 3.74Å; F79-P104 HydrophobicContact CZ-CG 3.99Å
80	V	58.3	Low	69.5	Low	93 Å²	93	73.4 Å²	73.4	56%	0.564	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.1	102.5	164.5	177.8	0	0	0	0	105.6	V77 I82	V77-V80 HydrophobicContact CG1-CG2 3.78Å; V80-I82 HydrophobicContact CG1-CD1 3.67Å; V80-I82 HydrophobicContact CG1-CG1 3.69Å
81	N	56.1	Low	70.6	Confident	64 Å²	64	71.3 Å²	71.3	34%	0.342	38%	0.384	S	S	.	.			trans	-139.1	69.9	-176.1	-157.2	-22.2	0	0	0	109.4	D83 R84	N81-D83 VanDerWaalsContact C-N 3.26Å; N81-D83 PolarHBondContact O-N 3.31Å; N81-D83 VanDerWaalsContact O-N 3.07Å; N81-R84 PolarHBondContact ND2-NE 2.91Å; N81-R84 PolarHBondContact OD1-NE 3.31Å
82	I	56.3	Low	72.1	Confident	113 Å²	113	70.3 Å²	70.3	58%	0.579	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.8	-151.2	-69.3	168	0	0	0	114.6	V80	V80-I82 HydrophobicContact CG1-CD1 3.67Å; V80-I82 HydrophobicContact CG1-CG1 3.69Å
83	D	55.7	Low	73.9	Confident	145 Å²	145	71.9 Å²	71.9	78%	0.775	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	27.4	-169	-63.2	-62.9	0	0	0	114.7	N81	N81-D83 VanDerWaalsContact C-N 3.26Å; N81-D83 PolarHBondContact O-N 3.31Å; N81-D83 VanDerWaalsContact O-N 3.07Å
84	R	70.2	Confident	75.5	Confident	124 Å²	124	73.6 Å²	73.6	47%	0.468	37%	0.374	S	S	.	.			trans	-97.2	104.6	174.6	-67.6	-169.5	-178.6	-165.9	-1.8	111.7	N81	N81-R84 PolarHBondContact ND2-NE 2.91Å; N81-R84 PolarHBondContact OD1-NE 3.31Å
85	S	90.1	Very high	77.5	Confident	48 Å²	48	65.5 Å²	65.5	34%	0.336	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	138.8	159.7	63.6	0	0	0	0	110.5	V47 K99	V47-S85 CarbonylContact O-C 3.56Å; V47-S85 WeakPolarHBondContact O-CA 3.43Å; S85-K99 PolarHBondContact O-NZ 2.85Å
86	L	91.9	Very high	79.2	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.021	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	155.9	177.8	-54.3	173	0	0	0	109	K46 V47 I49 L97 D98 K99 L101 F146	K46-L86 WeakPolarHBondContact CA-O 3.41Å; V47-L86 HydrophobicContact CG2-CB 3.97Å; V47-L86 PolarHBondContact N-O 2.97Å; V47-L86 PolarHBondContact O-N 3.3Å; I49-L86 HydrophobicContact CB-CD1 3.86Å; I49-L86 HydrophobicContact CG2-CD1 3.9Å; L86-L97 HydrophobicContact CB-CD2 4.15Å; L86-L97 HydrophobicContact CD1-CD2 4.14Å; L86-D98 WeakPolarHBondContact CA-OD1 3.29Å; L86-D98 WeakPolarHBondContact CB-OD1 3.49Å; L86-K99 HydrophobicContact CD2-CB 4.06Å; L86-K99 HydrophobicContact CD2-CD 3.65Å; L86-K99 HydrophobicContact CD2-CG 3.95Å; L86-L101 HydrophobicContact CD1-CD1 3.64Å; L86-L101 HydrophobicContact CD2-CD1 3.58Å; L86-L101 HydrophobicContact CG-CD1 4.25Å; L86-F146 HydrophobicContact CD1-CE1 3.93Å
87	L	93.9	Very high	80.7	Confident	65 Å²	65	61 Å²	61	34%	0.34	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	112.3	167.6	-171.5	69.7	0	0	0	108.1	M89 L97 D98	L87-M89 HydrophobicContact CD2-CG 3.98Å; L87-M89 HydrophobicContact CD2-SD 3.92Å; L87-M89 HydrophobicContact CG-CG 3.95Å; L87-L97 WeakPolarHBondContact O-CA 3.34Å; L87-D98 HydrophobicContact CB-CB 4.11Å; L87-D98 PolarHBondContact N-OD1 2.92Å; L87-D98 PolarHBondContact O-N 3.45Å
88	L	95.3	Very high	81.9	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.8	173.2	177.7	56.7	0	0	0	108.6	S44 F45 V47 L90 M95 F96 L97 W102 L157	S44-L88 WeakPolarHBondContact CA-O 3.43Å; F45-L88 PolarHBondContact N-O 3.01Å; F45-L88 PolarHBondContact O-N 3.38Å; V47-L88 HydrophobicContact CG1-CB 4.32Å; V47-L88 HydrophobicContact CG1-CD2 4.43Å; V47-L88 HydrophobicContact CG2-CB 4.03Å; L88-L90 HydrophobicContact CD1-CD2 4.31Å; L88-L90 HydrophobicContact CG-CD2 4.19Å; L88-M95 HydrophobicContact CD1-CB 4.27Å; L88-M95 HydrophobicContact CD1-CE 3.96Å; L88-M95 HydrophobicContact CD2-CE 4.14Å; L88-F96 CarbonylContact C-O 3.59Å; L88-F96 WeakPolarHBondContact CA-O 3.38Å; L88-F96 WeakPolarHBondContact CD1-O 3.49Å; L88-L97 HydrophobicContact CB-CD2 4.08Å; L88-L97 HydrophobicContact CD1-CD2 3.97Å; L88-L97 HydrophobicContact CD1-CG 4.47Å; L88-W102 HydrophobicContact CD1-CH2 4.07Å; L88-W102 HydrophobicContact CD1-CZ2 4.16Å; L88-L157 HydrophobicContact CD2-CD1 3.86Å; L88-L157 HydrophobicContact CD2-CD2 4.18Å; L88-L157 HydrophobicContact CG-CD1 4.47Å
89	M	95.3	Very high	83	Confident	69 Å²	69	61.6 Å²	61.6	34%	0.34	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136	179	-51.8	-177.3	-70.6	0	0	110.2	L87 F96	L87-M89 HydrophobicContact CD2-CG 3.98Å; L87-M89 HydrophobicContact CD2-SD 3.92Å; L87-M89 HydrophobicContact CG-CG 3.95Å; M89-F96 HydrophobicContact CB-CB 4.26Å; M89-F96 HydrophobicContact CE-CB 3.94Å; M89-F96 PolarHBondContact N-O 3.28Å; M89-F96 PolarHBondContact O-N 2.88Å
90	L	95.5	Very high	84.1	Confident	6 Å²	6	61.4 Å²	61.4	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	120	-177	-54.4	-177	0	0	0	110.2	Y42 S43 F45 L88 M95 L157 T160 I161	Y42-L90 WeakPolarHBondContact CB-O 3.21Å; S43-L90 PolarHBondContact O-N 3.47Å; F45-L90 HydrophobicContact CD2-CD1 4.28Å; F45-L90 HydrophobicContact CD2-CG 4.5Å; F45-L90 HydrophobicContact CE2-CD1 3.87Å; F45-L90 HydrophobicContact CE2-CG 4.44Å; L88-L90 HydrophobicContact CD1-CD2 4.31Å; L88-L90 HydrophobicContact CG-CD2 4.19Å; L90-M95 HydrophobicContact CD2-CB 4.28Å; L90-M95 HydrophobicContact CD2-CE 3.87Å; L90-M95 HydrophobicContact CD2-CG 3.81Å; L90-M95 HydrophobicContact CD2-SD 4.42Å; L90-L157 HydrophobicContact CD1-CD1 3.99Å; L90-T160 HydrophobicContact CD1-CG2 3.53Å; L90-I161 HydrophobicContact CD1-CG1 3.7Å; L90-I161 HydrophobicContact CD2-CG1 3.85Å; L90-I161 HydrophobicContact CG-CG1 4.46Å
91	T	92.4	Very high	85.4	Confident	24 Å²	24	58.2 Å²	58.2	15%	0.147	29%	0.291	C	S	.	.			trans	-105.2	-173.4	174.2	72	0	0	0	0	110.9	Y42 K93 E94 F96 Y113	Y42-T91 HydrophobicContact CD1-CG2 3.97Å; Y42-T91 HydrophobicContact CD2-CG2 4.34Å; Y42-T91 HydrophobicContact CE1-CG2 4.16Å; Y42-T91 HydrophobicContact CG-CG2 4.07Å; T91-K93 VanDerWaalsContact C-N 3.26Å; T91-K93 PolarHBondContact O-N 2.94Å; T91-K93 PolarHBondContact OG1-N 3.46Å; T91-E94 PolarHBondContact N-O 3.01Å; T91-E94 PolarHBondContact OG1-N 3.21Å; T91-E94 PolarHBondContact OG1-O 2.97Å; T91-F96 HydrophobicContact CG2-CD2 3.86Å; T91-F96 HydrophobicContact CG2-CE2 3.63Å; T91-Y113 WeakPolarHBondContact O-CE2 3.34Å; T91-Y113 PolarHBondContact O-OH 2.96Å
92	E	88.3	Confident	86.9	Confident	97 Å²	97	55.2 Å²	55.2	45%	0.453	28%	0.275	S	S	.	.	S	Bend	trans	-73.4	-15.7	177.5	-55.2	-171.6	141.1	0	0	113.3	K40	K40-E92 WeakPolarHBondContact CD-OE1 3.5Å; K40-E92 IonicContact NZ-OE1 2.89Å; K40-E92 PolarHBondContact NZ-OE1 3.14Å; K40-E92 IonicContact NZ-OE2 3.22Å; K40-E92 PolarHBondContact NZ-OE2 2.91Å
93	K	89.8	Confident	88.2	Confident	117 Å²	117	50.5 Å²	50.5	51%	0.509	25%	0.25	S	C	.	.	S	Bend	trans	-130.1	-28	-175.8	-62	-177	-178.5	179.1	0	114.8	T91 Y113 Y168	T91-K93 VanDerWaalsContact C-N 3.26Å; T91-K93 PolarHBondContact O-N 2.94Å; T91-K93 PolarHBondContact OG1-N 3.46Å; K93-Y113 VanDerWaalsContact C-CE2 3.41Å; K93-Y113 WeakPolarHBondContact O-CD2 3.23Å; K93-Y113 PolarHBondContact O-N 3.2Å; K93-Y113 VanDerWaalsContact O-N 3.16Å; K93-Y168 HydrophobicContact CB-CD2 4Å; K93-Y168 HydrophobicContact CB-CE2 3.84Å; K93-Y168 HydrophobicContact CG-CD2 4.06Å; K93-Y168 HydrophobicContact CG-CE2 4.04Å
94	E	93.5	Very high	89.1	Confident	64 Å²	64	46 Å²	46	30%	0.299	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151	-164.3	-67.7	172.5	157.9	0	0	112.3	T91 F96 I111 T112	T91-E94 PolarHBondContact N-O 3.01Å; T91-E94 PolarHBondContact OG1-N 3.21Å; T91-E94 PolarHBondContact OG1-O 2.97Å; E94-F96 HydrophobicContact CB-CD2 4.27Å; E94-F96 HydrophobicContact CB-CE2 3.63Å; E94-F96 HydrophobicContact CB-CZ 4.22Å; E94-F96 VanDerWaalsContact OE2-CZ 3.25Å; E94-F96 WeakPolarHBondContact OE2-CZ 3.48Å; E94-I111 CarbonylContact C-O 3.6Å; E94-I111 WeakPolarHBondContact CA-O 3.35Å; E94-I111 WeakPolarHBondContact CB-O 3.42Å; E94-T112 HydrophobicContact CG-CG2 4.18Å
95	M	95	Very high	89.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.7	170.9	-57.5	177.4	56.9	0	0	109	L88 L90 W102 C110 I111 Y113 L131 I161	L88-M95 HydrophobicContact CD1-CB 4.27Å; L88-M95 HydrophobicContact CD1-CE 3.96Å; L88-M95 HydrophobicContact CD2-CE 4.14Å; L90-M95 HydrophobicContact CD2-CB 4.28Å; L90-M95 HydrophobicContact CD2-CE 3.87Å; L90-M95 HydrophobicContact CD2-CG 3.81Å; L90-M95 HydrophobicContact CD2-SD 4.42Å; M95-W102 HydrophobicContact CB-CH2 4.31Å; M95-W102 HydrophobicContact CB-CZ2 4.07Å; M95-W102 HydrophobicContact CE-CH2 4.36Å; M95-C110 CarbonylContact O-C 3.52Å; M95-C110 VanDerWaalsContact O-CA 3.27Å; M95-C110 WeakPolarHBondContact O-CA 3.34Å; M95-I111 HydrophobicContact CB-CG1 4.02Å; M95-I111 PolarHBondContact N-O 3.47Å; M95-I111 PolarHBondContact O-N 3.44Å; M95-I111 HydrophobicContact SD-CD1 4.46Å; M95-Y113 HydrophobicContact CG-CD1 3.94Å; M95-Y113 HydrophobicContact CG-CE1 3.31Å; M95-Y113 HydrophobicContact SD-CD1 3.98Å; M95-Y113 HydrophobicContact SD-CE1 3.66Å; M95-L131 HydrophobicContact CE-CD1 3.63Å; M95-I161 HydrophobicContact CE-CD1 3.7Å; M95-I161 HydrophobicContact CE-CG1 3.89Å; M95-I161 HydrophobicContact CE-CG2 4.21Å; M95-I161 HydrophobicContact SD-CG1 4.47Å; M95-I161 HydrophobicContact SD-CG2 3.87Å
96	F	94.4	Very high	88.8	Confident	55 Å²	55	44.5 Å²	44.5	24%	0.241	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.7	-178.6	-68.7	-102.5	0	0	0	111.6	L88 M89 T91 E94 L109 C110	L88-F96 CarbonylContact C-O 3.59Å; L88-F96 WeakPolarHBondContact CA-O 3.38Å; L88-F96 WeakPolarHBondContact CD1-O 3.49Å; M89-F96 HydrophobicContact CB-CB 4.26Å; M89-F96 HydrophobicContact CE-CB 3.94Å; M89-F96 PolarHBondContact N-O 3.28Å; M89-F96 PolarHBondContact O-N 2.88Å; T91-F96 HydrophobicContact CG2-CD2 3.86Å; T91-F96 HydrophobicContact CG2-CE2 3.63Å; E94-F96 HydrophobicContact CB-CD2 4.27Å; E94-F96 HydrophobicContact CB-CE2 3.63Å; E94-F96 HydrophobicContact CB-CZ 4.22Å; E94-F96 VanDerWaalsContact OE2-CZ 3.25Å; E94-F96 WeakPolarHBondContact OE2-CZ 3.48Å; F96-L109 CarbonylContact C-O 3.6Å; F96-L109 VanDerWaalsContact CA-O 3.29Å; F96-L109 WeakPolarHBondContact CA-O 3.31Å; F96-C110 HydrophobicContact CD1-CB 3.69Å; F96-C110 HydrophobicContact CD2-CB 4.49Å; F96-C110 HydrophobicContact CE1-CB 3.56Å; F96-C110 HydrophobicContact CE2-CB 4.38Å; F96-C110 HydrophobicContact CG-CB 4.16Å; F96-C110 HydrophobicContact CZ-CB 3.92Å
97	L	91.8	Very high	88.4	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.016	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	146.9	163.3	-70.4	171.4	0	0	0	109.8	L86 L87 L88 K99 L101 W102 L109	L86-L97 HydrophobicContact CB-CD2 4.15Å; L86-L97 HydrophobicContact CD1-CD2 4.14Å; L87-L97 WeakPolarHBondContact O-CA 3.34Å; L88-L97 HydrophobicContact CB-CD2 4.08Å; L88-L97 HydrophobicContact CD1-CD2 3.97Å; L88-L97 HydrophobicContact CD1-CG 4.47Å; L97-K99 WeakPolarHBondContact CB-O 3.48Å; L97-K99 PolarHBondContact O-N 3.45Å; L97-L101 HydrophobicContact CD1-CB 4.22Å; L97-W102 HydrophobicContact CB-CZ2 4.47Å; L97-W102 HydrophobicContact CD1-CD2 3.79Å; L97-W102 HydrophobicContact CD1-CE3 4.01Å; L97-W102 HydrophobicContact CD1-CG 4.44Å; L97-W102 HydrophobicContact CD1-CH2 3.98Å; L97-W102 HydrophobicContact CD1-CZ2 3.75Å; L97-W102 HydrophobicContact CD1-CZ3 4.09Å; L97-W102 HydrophobicContact CD2-CZ2 4.46Å; L97-W102 HydrophobicContact CG-CD2 4.41Å; L97-W102 HydrophobicContact CG-CH2 4.03Å; L97-W102 HydrophobicContact CG-CZ2 3.53Å; L97-L109 PolarHBondContact N-O 2.93Å
98	D	89.1	Confident	87.9	Confident	74 Å²	74	50 Å²	50	40%	0.396	28%	0.284	S	S	.	.	S	Bend	trans	-67.3	-7.1	171.9	68.7	-43.2	0	0	0	114	L86 L87	L86-D98 WeakPolarHBondContact CA-OD1 3.29Å; L86-D98 WeakPolarHBondContact CB-OD1 3.49Å; L87-D98 HydrophobicContact CB-CB 4.11Å; L87-D98 PolarHBondContact N-OD1 2.92Å; L87-D98 PolarHBondContact O-N 3.45Å
99	K	87.5	Confident	87.7	Confident	61 Å²	61	53.7 Å²	53.7	27%	0.265	30%	0.304	S	S	.	.	S	Bend	trans	-139.2	142.3	-179.2	-55.1	-174.7	-173.6	74.1	0	110.1	S85 L86 L97 L101	S85-K99 PolarHBondContact O-NZ 2.85Å; L86-K99 HydrophobicContact CD2-CB 4.06Å; L86-K99 HydrophobicContact CD2-CD 3.65Å; L86-K99 HydrophobicContact CD2-CG 3.95Å; L97-K99 WeakPolarHBondContact CB-O 3.48Å; L97-K99 PolarHBondContact O-N 3.45Å; K99-L101 HydrophobicContact CB-CD1 4.15Å; K99-L101 HydrophobicContact CB-CG 4.19Å; K99-L101 PolarHBondContact O-N 2.9Å
100	P	85.6	Confident	87.5	Confident	63 Å²	63	52.4 Å²	52.4	41%	0.409	30%	0.301	S	S	.	.	S	Bend	trans	-76	90.9	-177	30.8	-33.9	0	0	0	110.1	E108 L109	P100-E108 WeakPolarHBondContact CA-O 3.48Å; P100-L109 HydrophobicContact CB-CD2 3.93Å; P100-L109 HydrophobicContact CG-CD2 4.33Å
101	L	86.7	Confident	87.4	Confident	27 Å²	27	52.2 Å²	52.2	14%	0.141	30%	0.3	C	S	.	.			trans	-124.6	-9.5	-175	-69	175.4	0	0	0	113.4	I49 L86 L97 K99 W103 H144	I49-L101 HydrophobicContact CD1-CD1 4.45Å; I49-L101 HydrophobicContact CG2-CD1 4.38Å; L86-L101 HydrophobicContact CD1-CD1 3.64Å; L86-L101 HydrophobicContact CD2-CD1 3.58Å; L86-L101 HydrophobicContact CG-CD1 4.25Å; L97-L101 HydrophobicContact CD1-CB 4.22Å; K99-L101 HydrophobicContact CB-CD1 4.15Å; K99-L101 HydrophobicContact CB-CG 4.19Å; K99-L101 PolarHBondContact O-N 2.9Å; L101-W103 PolarHBondContact O-N 2.71Å; L101-H144 PolarHBondContact O-CE1 2.69Å
102	W	86.8	Confident	87.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-59	-44	-177.7	-64.2	124.2	0	0	0	112.9	L88 M95 L97 L109 I111 L131 I133 L142 H144	L88-W102 HydrophobicContact CD1-CH2 4.07Å; L88-W102 HydrophobicContact CD1-CZ2 4.16Å; M95-W102 HydrophobicContact CB-CH2 4.31Å; M95-W102 HydrophobicContact CB-CZ2 4.07Å; M95-W102 HydrophobicContact CE-CH2 4.36Å; L97-W102 HydrophobicContact CB-CZ2 4.47Å; L97-W102 HydrophobicContact CD1-CD2 3.79Å; L97-W102 HydrophobicContact CD1-CE3 4.01Å; L97-W102 HydrophobicContact CD1-CG 4.44Å; L97-W102 HydrophobicContact CD1-CH2 3.98Å; L97-W102 HydrophobicContact CD1-CZ2 3.75Å; L97-W102 HydrophobicContact CD1-CZ3 4.09Å; L97-W102 HydrophobicContact CD2-CZ2 4.46Å; L97-W102 HydrophobicContact CG-CD2 4.41Å; L97-W102 HydrophobicContact CG-CH2 4.03Å; L97-W102 HydrophobicContact CG-CZ2 3.53Å; W102-L109 VanDerWaalsContact CD1-C 3.49Å; W102-L109 VanDerWaalsContact NE1-C 3.32Å; W102-L109 PolarHBondContact NE1-O 3.49Å; W102-I111 HydrophobicContact CB-CG2 3.94Å; W102-I111 HydrophobicContact CD2-CD1 4.46Å; W102-I111 HydrophobicContact CD2-CG1 4.13Å; W102-I111 HydrophobicContact CD2-CG2 3.85Å; W102-I111 HydrophobicContact CE3-CD1 4.16Å; W102-I111 HydrophobicContact CE3-CG1 4.33Å; W102-I111 HydrophobicContact CE3-CG2 4.36Å; W102-I111 HydrophobicContact CG-CG2 3.68Å; W102-I111 HydrophobicContact CH2-CD1 4.03Å; W102-I111 HydrophobicContact CH2-CG1 4.09Å; W102-I111 HydrophobicContact CZ2-CD1 4.32Å; W102-I111 HydrophobicContact CZ2-CG1 3.86Å; W102-I111 HydrophobicContact CZ3-CD1 3.95Å; W102-I111 HydrophobicContact CZ3-CG1 4.32Å; W102-L131 HydrophobicContact CH2-CD1 4.06Å; W102-L131 HydrophobicContact CZ3-CD1 3.98Å; W102-I133 HydrophobicContact CE3-CD1 3.49Å; W102-I133 VanDerWaalsContact CE3-CD1 3.49Å; W102-I133 HydrophobicContact CZ3-CD1 3.5Å; W102-L142 VanDerWaalsContact O-CD1 3.31Å; W102-L142 WeakPolarHBondContact O-CD1 3.37Å; W102-H144 PolarHBondContact O-CE1 2.94Å; W102-H144 VanDerWaalsContact O-CE1 3.28Å; W102-H144 PolarHBondContact O-NE2 3.13Å
103	W	83.1	Confident	87.7	Confident	15 Å²	15	48.6 Å²	48.6	6%	0.057	28%	0.284	C	S	.	.	S	Bend	trans	-130.6	130.9	178.5	-50.7	101.8	0	0	0	111.8	L101 G105 T106 E108 I133 K134 S135 L142	L101-W103 PolarHBondContact O-N 2.71Å; W103-G105 PolarHBondContact O-N 3.22Å; W103-T106 HydrophobicContact CB-CG2 3.54Å; W103-T106 WeakPolarHBondContact CB-OG1 3.38Å; W103-T106 HydrophobicContact CG-CG2 4.39Å; W103-T106 PolarHBondContact O-N 3.13Å; W103-T106 PolarHBondContact O-OG1 2.97Å; W103-E108 PolarHBondContact NE1-OE2 2.89Å; W103-I133 HydrophobicContact CH2-CB 4.11Å; W103-I133 HydrophobicContact CH2-CG2 3.7Å; W103-I133 HydrophobicContact CZ2-CB 4.47Å; W103-I133 HydrophobicContact CZ2-CG2 3.61Å; W103-K134 VanDerWaalsContact CH2-C 3.45Å; W103-K134 WeakPolarHBondContact CH2-O 3.49Å; W103-K134 WeakPolarHBondContact CZ2-O 3.38Å; W103-S135 VanDerWaalsContact CZ3-CA 3.46Å; W103-L142 HydrophobicContact CD2-CD1 4.26Å; W103-L142 HydrophobicContact CE3-CD1 3.33Å; W103-L142 HydrophobicContact CE3-CG 3.95Å; W103-L142 HydrophobicContact CZ3-CB 4Å; W103-L142 HydrophobicContact CZ3-CD1 3.5Å; W103-L142 HydrophobicContact CZ3-CG 3.59Å
104	P	74.5	Confident	87.8	Confident	51 Å²	51	47.9 Å²	47.9	33%	0.331	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	127.4	175.4	-19.9	25.2	0	0	0	112.6	K78 F79 T106 L142	K78-P104 HydrophobicContact CD-CG 3.75Å; F79-P104 HydrophobicContact CE2-CB 3.98Å; F79-P104 HydrophobicContact CE2-CG 3.69Å; F79-P104 HydrophobicContact CZ-CB 3.74Å; F79-P104 HydrophobicContact CZ-CG 3.99Å; P104-T106 VanDerWaalsContact C-N 3.28Å; P104-T106 PolarHBondContact O-N 2.65Å; P104-L142 HydrophobicContact CG-CD1 4.39Å
105	G	74.5	Confident	87.7	Confident	90 Å²	90	46.9 Å²	46.9	93%	0.928	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-3.9	176.6	0	0	0	0	0	115.9	W103	W103-G105 PolarHBondContact O-N 3.22Å
106	T	79.1	Confident	87.7	Confident	50 Å²	50	47.8 Å²	47.8	31%	0.307	28%	0.282	S	S	.	.			trans	-89.7	167.7	175	71	0	0	0	0	112.3	W103 P104 E108	W103-T106 HydrophobicContact CB-CG2 3.54Å; W103-T106 WeakPolarHBondContact CB-OG1 3.38Å; W103-T106 HydrophobicContact CG-CG2 4.39Å; W103-T106 PolarHBondContact O-N 3.13Å; W103-T106 PolarHBondContact O-OG1 2.97Å; P104-T106 VanDerWaalsContact C-N 3.28Å; P104-T106 PolarHBondContact O-N 2.65Å; T106-E108 PolarHBondContact OG1-N 3Å
107	S	83.8	Confident	87.6	Confident	106 Å²	106	49.9 Å²	49.9	74%	0.741	29%	0.293	S	S	*	.			trans	-104.2	16.6	167.1	58.8	0	0	0	0	112.7	L109	S107-L109 PolarHBondContact O-N 3.39Å
108	E	85	Confident	87.7	Confident	77 Å²	77	53.4 Å²	53.4	36%	0.36	31%	0.312	S	S	.	.			trans	-70.9	119.2	-175.7	-71.3	175.3	-147.1	0	0	111	P100 W103 T106	P100-E108 WeakPolarHBondContact CA-O 3.48Å; W103-E108 PolarHBondContact NE1-OE2 2.89Å; T106-E108 PolarHBondContact OG1-N 3Å
109	L	89.6	Confident	88.1	Confident	78 Å²	78	51.7 Å²	51.7	41%	0.408	30%	0.302	S	S	.	.			trans	-93.4	-17.5	175.7	-61.9	179.7	0	0	0	112.5	F96 L97 P100 W102 S107	F96-L109 CarbonylContact C-O 3.6Å; F96-L109 VanDerWaalsContact CA-O 3.29Å; F96-L109 WeakPolarHBondContact CA-O 3.31Å; L97-L109 PolarHBondContact N-O 2.93Å; P100-L109 HydrophobicContact CB-CD2 3.93Å; P100-L109 HydrophobicContact CG-CD2 4.33Å; W102-L109 VanDerWaalsContact CD1-C 3.49Å; W102-L109 VanDerWaalsContact NE1-C 3.32Å; W102-L109 PolarHBondContact NE1-O 3.49Å; S107-L109 PolarHBondContact O-N 3.39Å
110	C	92.4	Very high	88.5	Confident	43 Å²	43	49.2 Å²	49.2	29%	0.291	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	155.3	-176.7	54.9	0	0	0	0	112.8	M95 F96	M95-C110 CarbonylContact O-C 3.52Å; M95-C110 VanDerWaalsContact O-CA 3.27Å; M95-C110 WeakPolarHBondContact O-CA 3.34Å; F96-C110 HydrophobicContact CD1-CB 3.69Å; F96-C110 HydrophobicContact CD2-CB 4.49Å; F96-C110 HydrophobicContact CE1-CB 3.56Å; F96-C110 HydrophobicContact CE2-CB 4.38Å; F96-C110 HydrophobicContact CG-CB 4.16Å; F96-C110 HydrophobicContact CZ-CB 3.92Å
111	I	93.1	Very high	88.9	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	152.9	161.7	55.8	157.9	0	0	0	109.5	E94 M95 W102 Q115 I133	E94-I111 CarbonylContact C-O 3.6Å; E94-I111 WeakPolarHBondContact CA-O 3.35Å; E94-I111 WeakPolarHBondContact CB-O 3.42Å; M95-I111 HydrophobicContact CB-CG1 4.02Å; M95-I111 PolarHBondContact N-O 3.47Å; M95-I111 PolarHBondContact O-N 3.44Å; M95-I111 HydrophobicContact SD-CD1 4.46Å; W102-I111 HydrophobicContact CB-CG2 3.94Å; W102-I111 HydrophobicContact CD2-CD1 4.46Å; W102-I111 HydrophobicContact CD2-CG1 4.13Å; W102-I111 HydrophobicContact CD2-CG2 3.85Å; W102-I111 HydrophobicContact CE3-CD1 4.16Å; W102-I111 HydrophobicContact CE3-CG1 4.33Å; W102-I111 HydrophobicContact CE3-CG2 4.36Å; W102-I111 HydrophobicContact CG-CG2 3.68Å; W102-I111 HydrophobicContact CH2-CD1 4.03Å; W102-I111 HydrophobicContact CH2-CG1 4.09Å; W102-I111 HydrophobicContact CZ2-CD1 4.32Å; W102-I111 HydrophobicContact CZ2-CG1 3.86Å; W102-I111 HydrophobicContact CZ3-CD1 3.95Å; W102-I111 HydrophobicContact CZ3-CG1 4.32Å; I111-Q115 VanDerWaalsContact CA-OE1 3.23Å; I111-Q115 VanDerWaalsContact CB-OE1 3.25Å; I111-I133 HydrophobicContact CD1-CD1 3.96Å; I111-I133 HydrophobicContact CD1-CG2 4.04Å
112	T	92.8	Very high	89.4	Confident	36 Å²	36	49.6 Å²	49.6	22%	0.221	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	156.2	171.3	70.2	0	0	0	0	110.9	E94 E114 Q115	E94-T112 HydrophobicContact CG-CG2 4.18Å; T112-E114 PolarHBondContact O-N 3.3Å; T112-E114 VanDerWaalsContact O-N 3.14Å; T112-E114 PolarHBondContact OG1-N 2.93Å; T112-Q115 PolarHBondContact O-N 3.39Å; T112-Q115 VanDerWaalsContact O-N 3.13Å
113	Y	94.3	Very high	89.7	Confident	9 Å²	9	58 Å²	58	4%	0.035	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.4	173.7	-64.5	-68.8	0	0	0	113.7	T91 K93 M95 L116 I161 S164 A165 Y168	T91-Y113 WeakPolarHBondContact O-CE2 3.34Å; T91-Y113 PolarHBondContact O-OH 2.96Å; K93-Y113 VanDerWaalsContact C-CE2 3.41Å; K93-Y113 WeakPolarHBondContact O-CD2 3.23Å; K93-Y113 PolarHBondContact O-N 3.2Å; K93-Y113 VanDerWaalsContact O-N 3.16Å; M95-Y113 HydrophobicContact CG-CD1 3.94Å; M95-Y113 HydrophobicContact CG-CE1 3.31Å; M95-Y113 HydrophobicContact SD-CD1 3.98Å; M95-Y113 HydrophobicContact SD-CE1 3.66Å; Y113-L116 WeakPolarHBondContact O-CB 3.23Å; Y113-L116 PolarHBondContact O-N 3.03Å; Y113-I161 HydrophobicContact CE1-CG2 4.25Å; Y113-S164 VanDerWaalsContact OH-CB 3.23Å; Y113-S164 WeakPolarHBondContact OH-CB 3.38Å; Y113-A165 HydrophobicContact CD1-CB 4.02Å; Y113-A165 HydrophobicContact CG-CB 4.24Å; Y113-Y168 HydrophobicContact CD2-CD2 4.4Å; Y113-Y168 HydrophobicContact CD2-CG 4.04Å
114	E	91.4	Very high	90.1	Very high	102 Å²	102	61.5 Å²	61.5	48%	0.477	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-32	172.1	-174.7	160.3	-154.5	0	0	112.6	T112 L116 K134 Y168	T112-E114 PolarHBondContact O-N 3.3Å; T112-E114 VanDerWaalsContact O-N 3.14Å; T112-E114 PolarHBondContact OG1-N 2.93Å; E114-L116 VanDerWaalsContact C-N 3.28Å; E114-K134 PolarHBondContact O-NZ 3.29Å; E114-Y168 HydrophobicContact CB-CE1 4.02Å
115	Q	92.1	Very high	91	Very high	42 Å²	42	60.8 Å²	60.8	20%	0.196	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-23.7	175.5	-64.8	172	-65.9	0	0	111.7	I111 T112 H117 I133 K134	I111-Q115 VanDerWaalsContact CA-OE1 3.23Å; I111-Q115 VanDerWaalsContact CB-OE1 3.25Å; T112-Q115 PolarHBondContact O-N 3.39Å; T112-Q115 VanDerWaalsContact O-N 3.13Å; Q115-H117 PolarHBondContact O-N 2.93Å; Q115-I133 HydrophobicContact CB-CG2 4.07Å; Q115-I133 CarbonylContact O-C 3.53Å; Q115-I133 WeakPolarHBondContact O-CA 3.4Å; Q115-K134 PolarHBondContact O-N 2.88Å
116	L	94.1	Very high	92	Very high	19 Å²	19	61.1 Å²	61.1	10%	0.099	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	121.5	173.2	-172.8	65.7	0	0	0	110	Y113 E114 L119 L131 I161 A165	Y113-L116 WeakPolarHBondContact O-CB 3.23Å; Y113-L116 PolarHBondContact O-N 3.03Å; E114-L116 VanDerWaalsContact C-N 3.28Å; L116-L119 HydrophobicContact CD1-CD2 3.97Å; L116-L119 HydrophobicContact CD2-CD2 4.09Å; L116-L119 HydrophobicContact CD2-CG 4.3Å; L116-L131 HydrophobicContact CD1-CB 4.35Å; L116-I161 HydrophobicContact CD2-CG2 3.57Å; L116-A165 HydrophobicContact CD2-CB 4.39Å
117	H	92.8	Very high	92.7	Very high	99 Å²	99	64.3 Å²	64.3	46%	0.458	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-48.9	176.3	-178.9	-80.3	0	0	0	111.8	Q115 D132 K134 R141	Q115-H117 PolarHBondContact O-N 2.93Å; H117-D132 HydrophobicContact CB-CB 4.25Å; H117-D132 WeakPolarHBondContact CB-O 3.26Å; H117-D132 PolarHBondContact N-O 3.44Å; H117-D132 IonicContact ND1-OD2 2.68Å; H117-D132 PolarHBondContact ND1-OD2 3.18Å; H117-K134 HydrophobicContact CB-CG 4.07Å; H117-R141 PolarHBondContact CD2-NH1 3.32Å; H117-R141 VanDerWaalsContact CD2-NH1 3.34Å; H117-R141 PolarHBondContact CE1-NH1 2.96Å; H117-R141 PolarHBondContact ND1-NH1 3.4Å; H117-R141 PolarHBondContact NE2-NH1 2.98Å
118	D	94.2	Very high	93.3	Very high	78 Å²	78	61 Å²	61	42%	0.417	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	161.5	-175.4	-158.7	5	0	0	0	112.2	I120 D132	D118-I120 HydrophobicContact CB-CG1 4.47Å; D118-D132 HydrophobicContact CB-CB 3.97Å; D118-D132 PolarHBondContact N-O 3.46Å; D118-D132 PolarHBondContact O-N 3.08Å
119	L	96.4	Very high	93.8	Very high	38 Å²	38	57.3 Å²	57.3	20%	0.199	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	112.4	176	-65.9	177	0	0	0	109.2	L116 L131 L158 I161 S162	L116-L119 HydrophobicContact CD1-CD2 3.97Å; L116-L119 HydrophobicContact CD2-CD2 4.09Å; L116-L119 HydrophobicContact CD2-CG 4.3Å; L119-L131 HydrophobicContact CD2-CD2 3.27Å; L119-L158 HydrophobicContact CB-CD2 4.44Å; L119-L158 HydrophobicContact CD2-CD2 4.26Å; L119-I161 HydrophobicContact CD1-CB 4.15Å; L119-I161 HydrophobicContact CD1-CG2 3.92Å; L119-I161 HydrophobicContact CD2-CD1 4.47Å; L119-I161 HydrophobicContact CD2-CG2 4.01Å; L119-S162 WeakPolarHBondContact CD1-OG 3.45Å
120	I	95.5	Very high	94.1	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	112	-169.8	-54.9	172.2	0	0	0	109.3	Y61 L66 D118 F129 A130 D132	Y61-I120 HydrophobicContact CD1-CD1 3.76Å; Y61-I120 HydrophobicContact CG-CD1 4.34Å; Y61-I120 WeakPolarHBondContact O-CD1 3.26Å; L66-I120 HydrophobicContact CD2-CG2 4.02Å; L66-I120 WeakPolarHBondContact CD2-O 3.32Å; D118-I120 HydrophobicContact CB-CG1 4.47Å; I120-F129 CarbonylContact O-C 3.6Å; I120-F129 VanDerWaalsContact O-CA 3.29Å; I120-F129 WeakPolarHBondContact O-CA 3.34Å; I120-A130 HydrophobicContact CB-CB 4.22Å; I120-A130 PolarHBondContact N-O 3.29Å; I120-A130 PolarHBondContact O-N 3.33Å; I120-D132 HydrophobicContact CD1-CB 4.48Å
121	E	95.6	Very high	94.3	Very high	92 Å²	92	51.6 Å²	51.6	43%	0.43	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	140	173.4	-74.3	-173.4	-127.1	0	0	111.9	S63 R154 L158	S63-E121 WeakPolarHBondContact CB-O 3.26Å; S63-E121 PolarHBondContact OG-O 2.97Å; E121-R154 IonicContact OE2-CZ 3.49Å; E121-R154 IonicContact OE2-NH1 3.17Å; E121-R154 IonicContact OE2-NH2 3.7Å; E121-R154 PolarHBondContact OE2-NH2 3.14Å; E121-L158 HydrophobicContact CG-CD1 3.48Å; E121-L158 VanDerWaalsContact CG-CD1 3.48Å
122	S	95.5	Very high	94.3	Very high	7 Å²	7	51.6 Å²	51.6	5%	0.049	25%	0.251	C	S	.	.			trans	-72.9	140.7	166.2	177.1	0	0	0	0	110.2	D67 S124 D125 K128	D67-S122 VanDerWaalsContact OD1-CA 3.25Å; D67-S122 WeakPolarHBondContact OD1-CA 3.28Å; D67-S122 WeakPolarHBondContact OD1-CB 3.32Å; D67-S122 PolarHBondContact OD1-OG 3.5Å; S122-S124 PolarHBondContact OG-N 2.89Å; S122-S124 PolarHBondContact OG-OG 3.43Å; S122-D125 WeakPolarHBondContact CB-O 3.35Å; S122-D125 PolarHBondContact OG-N 2.74Å; S122-D125 PolarHBondContact OG-O 3.18Å; S122-K128 VanDerWaalsContact CB-O 3.28Å; S122-K128 WeakPolarHBondContact CB-O 3.36Å; S122-K128 PolarHBondContact N-O 2.92Å
123	K	93.2	Very high	94.3	Very high	176 Å²	176	49.9 Å²	49.9	77%	0.765	24%	0.24	S	C	*	.	S	Bend	trans	-97	-17.6	174.4	-61.5	174.8	-178.9	175.1	0	112.2	D67	D67-K123 PolarHBondContact OD1-N 2.81Å; D67-K123 WeakPolarHBondContact OD2-CA 3.44Å; D67-K123 WeakPolarHBondContact OD2-CB 3.49Å; D67-K123 PolarHBondContact OD2-N 2.68Å
124	S	92.5	Very high	94.2	Very high	88 Å²	88	53.5 Å²	53.5	62%	0.615	26%	0.256	S	S	*	.	S	Bend	trans	-97.4	-32.3	179.7	60.8	0	0	0	0	114.1	D67 S122	D67-S124 WeakPolarHBondContact CB-OG 3.41Å; D67-S124 VanDerWaalsContact CG-OG 3.26Å; D67-S124 PolarHBondContact OD1-OG 2.96Å; D67-S124 PolarHBondContact OD2-N 2.79Å; S122-S124 PolarHBondContact OG-N 2.89Å; S122-S124 PolarHBondContact OG-OG 3.43Å
125	D	92.8	Very high	93.7	Very high	36 Å²	36	49.8 Å²	49.8	19%	0.193	24%	0.242	C	C	.	.			trans	-119.7	111.8	178.7	-174.6	-21.5	0	0	0	110.7	S122 R127 K128	S122-D125 WeakPolarHBondContact CB-O 3.35Å; S122-D125 PolarHBondContact OG-N 2.74Å; S122-D125 PolarHBondContact OG-O 3.18Å; D125-R127 PolarHBondContact O-N 3.29Å; D125-R127 WeakPolarHBondContact OD1-CB 3.47Å; D125-R127 PolarHBondContact OD1-N 3.05Å; D125-R127 IonicContact OD1-NE 2.94Å; D125-K128 HydrophobicContact CB-CB 3.76Å; D125-K128 PolarHBondContact O-N 3.04Å; D125-K128 VanDerWaalsContact OD2-CE 3.27Å; D125-K128 WeakPolarHBondContact OD2-CE 3.34Å; D125-K128 IonicContact OD2-NZ 2.86Å
126	E	95.1	Very high	92.8	Very high	98 Å²	98	51.7 Å²	51.7	46%	0.458	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-1.4	-176.6	62.8	164.3	-140.3	0	0	115.2	R151 R154	E126-R151 HydrophobicContact CB-CB 4.18Å; E126-R151 HydrophobicContact CB-CG 4.29Å; E126-R151 VanDerWaalsContact CD-CD 3.48Å; E126-R151 HydrophobicContact CG-CB 4.11Å; E126-R151 WeakPolarHBondContact O-CA 3.27Å; E126-R151 WeakPolarHBondContact O-CB 3.49Å; E126-R151 WeakPolarHBondContact OE2-CD 3.37Å; E126-R151 IonicContact OE2-CZ 3.13Å; E126-R151 IonicContact OE2-NE 3.7Å; E126-R151 IonicContact OE2-NH1 2.74Å; E126-R151 PolarHBondContact OE2-NH1 2.95Å; E126-R154 VanDerWaalsContact O-CD 3.25Å; E126-R154 WeakPolarHBondContact O-CD 3.39Å; E126-R154 VanDerWaalsContact O-CZ 3.32Å; E126-R154 PolarHBondContact O-NE 3.45Å; E126-R154 PolarHBondContact O-NH1 2.9Å
127	R	95.4	Very high	91.6	Very high	117 Å²	117	57.1 Å²	57.1	44%	0.442	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-16.6	170.6	-61.1	178	-62.8	173.9	5.4	113.1	D125 S147 A148 V149	D125-R127 PolarHBondContact O-N 3.29Å; D125-R127 WeakPolarHBondContact OD1-CB 3.47Å; D125-R127 PolarHBondContact OD1-N 3.05Å; D125-R127 IonicContact OD1-NE 2.94Å; R127-S147 WeakPolarHBondContact O-CA 3.25Å; R127-A148 PolarHBondContact O-N 3.45Å; R127-V149 WeakPolarHBondContact CD-O 3.31Å
128	K	95	Very high	90.6	Very high	36 Å²	36	58.4 Å²	58.4	16%	0.157	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	142.2	-167	-166.3	174.3	-48.6	-149.7	0	112.9	E50 L66 S122 D125 V145 F146	E50-K128 WeakPolarHBondContact OE1-CE 3.35Å; E50-K128 IonicContact OE1-NZ 3.35Å; E50-K128 PolarHBondContact OE1-NZ 3.11Å; E50-K128 WeakPolarHBondContact OE2-CE 3.14Å; E50-K128 IonicContact OE2-NZ 2.91Å; E50-K128 PolarHBondContact OE2-NZ 3Å; L66-K128 HydrophobicContact CD1-CD 4.27Å; L66-K128 HydrophobicContact CD1-CG 4.31Å; S122-K128 VanDerWaalsContact CB-O 3.28Å; S122-K128 WeakPolarHBondContact CB-O 3.36Å; S122-K128 PolarHBondContact N-O 2.92Å; D125-K128 HydrophobicContact CB-CB 3.76Å; D125-K128 PolarHBondContact O-N 3.04Å; D125-K128 VanDerWaalsContact OD2-CE 3.27Å; D125-K128 WeakPolarHBondContact OD2-CE 3.34Å; D125-K128 IonicContact OD2-NZ 2.86Å; K128-V145 HydrophobicContact CD-CG1 4.12Å; K128-V145 HydrophobicContact CG-CG1 3.98Å; K128-F146 WeakPolarHBondContact CA-O 3.09Å
129	F	96.5	Very high	89.8	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	166.1	177.3	65.3	-79.4	0	0	0	110.1	V47 I120 L131 F146 A148 R154 L157 L158	V47-F129 HydrophobicContact CG1-CZ 4.15Å; I120-F129 CarbonylContact O-C 3.6Å; I120-F129 VanDerWaalsContact O-CA 3.29Å; I120-F129 WeakPolarHBondContact O-CA 3.34Å; F129-L131 HydrophobicContact CD2-CD2 4.14Å; F129-L131 HydrophobicContact CE2-CD2 4.04Å; F129-L131 HydrophobicContact CE2-CG 4.29Å; F129-F146 HydrophobicContact CD1-CB 4.25Å; F129-F146 HydrophobicContact CD2-CB 4.47Å; F129-F146 HydrophobicContact CE1-CB 3.63Å; F129-F146 HydrophobicContact CE2-CB 3.88Å; F129-F146 AromaticContact CE2-CD2 3.88Å; F129-F146 HydrophobicContact CE2-CD2 3.88Å; F129-F146 HydrophobicContact CE2-CG 4.24Å; F129-F146 HydrophobicContact CZ-CB 3.41Å; F129-F146 VanDerWaalsContact CZ-CB 3.41Å; F129-F146 HydrophobicContact CZ-CD2 4.17Å; F129-F146 HydrophobicContact CZ-CG 4.06Å; F129-F146 PolarHBondContact N-O 2.84Å; F129-F146 PolarHBondContact O-N 3.43Å; F129-F146 VanDerWaalsContact O-O 3.05Å; F129-A148 HydrophobicContact CE1-CB 4.36Å; F129-R154 HydrophobicContact CD1-CG 3.92Å; F129-L157 HydrophobicContact CE1-CD2 3.9Å; F129-L157 HydrophobicContact CE2-CD2 4.04Å; F129-L157 HydrophobicContact CZ-CD2 3.37Å; F129-L158 HydrophobicContact CB-CD1 4.1Å; F129-L158 HydrophobicContact CB-CD2 4.19Å; F129-L158 HydrophobicContact CD2-CD2 3.8Å; F129-L158 HydrophobicContact CE2-CD2 4.47Å; F129-L158 HydrophobicContact CG-CD2 4.13Å
130	A	95.6	Very high	89.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.3	172.7	0	0	0	0	0	111.7	L66 I120 I143 H144 V145	L66-A130 HydrophobicContact CD1-CB 4.14Å; L66-A130 HydrophobicContact CD2-CB 4.25Å; I120-A130 HydrophobicContact CB-CB 4.22Å; I120-A130 PolarHBondContact N-O 3.29Å; I120-A130 PolarHBondContact O-N 3.33Å; A130-I143 HydrophobicContact CB-CG2 3.79Å; A130-H144 CarbonylContact C-O 3.51Å; A130-H144 VanDerWaalsContact CA-O 3.23Å; A130-H144 WeakPolarHBondContact CA-O 3.16Å; A130-V145 HydrophobicContact CB-CG2 3.83Å
131	L	95.9	Very high	89	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.1	166.4	-52.5	-176	0	0	0	107.7	M95 W102 L116 L119 F129 I133 I143 H144 F146 I161	M95-L131 HydrophobicContact CE-CD1 3.63Å; W102-L131 HydrophobicContact CH2-CD1 4.06Å; W102-L131 HydrophobicContact CZ3-CD1 3.98Å; L116-L131 HydrophobicContact CD1-CB 4.35Å; L119-L131 HydrophobicContact CD2-CD2 3.27Å; F129-L131 HydrophobicContact CD2-CD2 4.14Å; F129-L131 HydrophobicContact CE2-CD2 4.04Å; F129-L131 HydrophobicContact CE2-CG 4.29Å; L131-I133 HydrophobicContact CB-CD1 4.18Å; L131-I133 HydrophobicContact CB-CG1 4.09Å; L131-I143 WeakPolarHBondContact O-CA 3.49Å; L131-H144 PolarHBondContact N-O 3.46Å; L131-H144 PolarHBondContact O-N 3.43Å; L131-F146 HydrophobicContact CB-CE2 4.49Å; L131-F146 HydrophobicContact CD1-CD2 4.3Å; L131-F146 HydrophobicContact CD1-CE2 3.73Å; L131-F146 HydrophobicContact CG-CD2 4.14Å; L131-F146 HydrophobicContact CG-CE2 3.91Å; L131-I161 HydrophobicContact CD2-CD1 4.1Å
132	D	94.4	Very high	88.7	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.011	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	116.7	172.8	-175.1	-17.8	0	0	0	108.4	H117 D118 I120 R141 I143	H117-D132 HydrophobicContact CB-CB 4.25Å; H117-D132 WeakPolarHBondContact CB-O 3.26Å; H117-D132 PolarHBondContact N-O 3.44Å; H117-D132 IonicContact ND1-OD2 2.68Å; H117-D132 PolarHBondContact ND1-OD2 3.18Å; D118-D132 HydrophobicContact CB-CB 3.97Å; D118-D132 PolarHBondContact N-O 3.46Å; D118-D132 PolarHBondContact O-N 3.08Å; I120-D132 HydrophobicContact CD1-CB 4.48Å; D132-R141 IonicContact OD1-CZ 2.68Å; D132-R141 IonicContact OD1-NE 2.71Å; D132-R141 IonicContact OD1-NH1 3.86Å; D132-R141 PolarHBondContact OD1-NH1 3.49Å; D132-R141 IonicContact OD1-NH2 3.75Å; D132-R141 IonicContact OD2-CZ 2.78Å; D132-R141 VanDerWaalsContact OD2-CZ 3.28Å; D132-R141 IonicContact OD2-NH1 3.45Å; D132-R141 PolarHBondContact OD2-NH1 3.3Å; D132-R141 IonicContact OD2-NH2 3.84Å; D132-R141 PolarHBondContact OD2-NH2 3.34Å; D132-R141 VanDerWaalsContact OD2-NH2 3.17Å; D132-I143 HydrophobicContact CB-CD1 3.57Å; D132-I143 WeakPolarHBondContact OD1-CD1 3.46Å
133	I	93.2	Very high	88.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.5	-167.6	-42.1	-177.7	0	0	0	110.4	W102 W103 I111 Q115 L131 R141 L142 H144	W102-I133 HydrophobicContact CE3-CD1 3.49Å; W102-I133 VanDerWaalsContact CE3-CD1 3.49Å; W102-I133 HydrophobicContact CZ3-CD1 3.5Å; W103-I133 HydrophobicContact CH2-CB 4.11Å; W103-I133 HydrophobicContact CH2-CG2 3.7Å; W103-I133 HydrophobicContact CZ2-CB 4.47Å; W103-I133 HydrophobicContact CZ2-CG2 3.61Å; I111-I133 HydrophobicContact CD1-CD1 3.96Å; I111-I133 HydrophobicContact CD1-CG2 4.04Å; Q115-I133 HydrophobicContact CB-CG2 4.07Å; Q115-I133 CarbonylContact O-C 3.53Å; Q115-I133 WeakPolarHBondContact O-CA 3.4Å; L131-I133 HydrophobicContact CB-CD1 4.18Å; L131-I133 HydrophobicContact CB-CG1 4.09Å; I133-R141 CarbonylContact O-C 3.53Å; I133-R141 VanDerWaalsContact O-CA 3.26Å; I133-R141 WeakPolarHBondContact O-CA 3.43Å; I133-R141 WeakPolarHBondContact O-CB 3.36Å; I133-L142 PolarHBondContact N-O 3.48Å; I133-L142 PolarHBondContact O-N 2.81Å; I133-H144 WeakPolarHBondContact CD1-CD2 3.46Å
134	K	90.5	Very high	88.4	Confident	86 Å²	86	45.9 Å²	45.9	37%	0.374	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	127.8	175.4	-56	171.1	-164	146.8	0	109.9	W103 E114 Q115 H117	W103-K134 VanDerWaalsContact CH2-C 3.45Å; W103-K134 WeakPolarHBondContact CH2-O 3.49Å; W103-K134 WeakPolarHBondContact CZ2-O 3.38Å; E114-K134 PolarHBondContact O-NZ 3.29Å; Q115-K134 PolarHBondContact O-N 2.88Å; H117-K134 HydrophobicContact CB-CG 4.07Å
135	S	80.7	Confident	88.4	Confident	24 Å²	24	41.7 Å²	41.7	17%	0.168	22%	0.221	C	C	.	.			trans	-71.6	149	172.6	-170	0	0	0	0	111.3	W103 H137 K140	W103-S135 VanDerWaalsContact CZ3-CA 3.46Å; S135-H137 WeakPolarHBondContact CB-O 3.49Å; S135-H137 PolarHBondContact O-N 2.83Å; S135-H137 WeakPolarHBondContact OG-CB 3.32Å; S135-H137 PolarHBondContact OG-N 3.49Å; S135-K140 WeakPolarHBondContact CB-O 3.46Å; S135-K140 PolarHBondContact N-O 3.38Å; S135-K140 VanDerWaalsContact N-O 3.11Å
136	S	73.1	Confident	88.5	Confident	81 Å²	81	40 Å²	40	57%	0.566	21%	0.211	S	C	*	.	S	Bend	trans	-58.9	-24.8	160.5	51.4	0	0	0	0	111.8
137	H	69.5	Low	88.5	Confident	133 Å²	133	35.7 Å²	35.7	62%	0.616	19%	0.193	S	C	*	.	S	Bend	trans	-82.8	117.2	173.7	-63.3	65.8	0	0	0	109.7	S135 G139 K140	S135-H137 WeakPolarHBondContact CB-O 3.49Å; S135-H137 PolarHBondContact O-N 2.83Å; S135-H137 WeakPolarHBondContact OG-CB 3.32Å; S135-H137 PolarHBondContact OG-N 3.49Å; H137-G139 PolarHBondContact O-N 3.23Å; H137-K140 PolarHBondContact O-N 3.11Å
138	P	71.1	Confident	88.5	Confident	127 Å²	127	30.3 Å²	30.3	83%	0.825	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	136.1	-175.3	24.5	-34	0	0	0	111.4
139	G	78.7	Confident	88.5	Confident	41 Å²	41	31.6 Å²	31.6	42%	0.423	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	-4.8	176.2	0	0	0	0	0	116.1	D56 A57 H137	D56-G139 CarbonylContact C-O 3.49Å; D56-G139 WeakPolarHBondContact CA-O 3.37Å; A57-G139 PolarHBondContact N-O 3.39Å; H137-G139 PolarHBondContact O-N 3.23Å
140	K	84.3	Confident	88.4	Confident	81 Å²	81	34.3 Å²	34.3	35%	0.352	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.9	176.5	-64.4	-62	-174.8	179.1	0	113	E54 D56 S135 H137	E54-K140 HydrophobicContact CG-CB 4.48Å; E54-K140 HydrophobicContact CG-CD 4.1Å; D56-K140 IonicContact OD1-NZ 3.86Å; D56-K140 PolarHBondContact OD1-NZ 3.43Å; S135-K140 WeakPolarHBondContact CB-O 3.46Å; S135-K140 PolarHBondContact N-O 3.38Å; S135-K140 VanDerWaalsContact N-O 3.11Å; H137-K140 PolarHBondContact O-N 3.11Å
141	R	89.8	Confident	88.5	Confident	12 Å²	12	40.4 Å²	40.4	5%	0.045	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	146.8	175	-52.2	-172.8	-57.6	134.2	11.3	109.5	I55 A57 Q59 H117 D132 I133	I55-R141 VanDerWaalsContact CD1-NH2 3.31Å; I55-R141 HydrophobicContact CG1-CB 4.06Å; I55-R141 PolarHBondContact N-O 2.97Å; I55-R141 PolarHBondContact O-N 3.26Å; A57-R141 HydrophobicContact CB-CG 4.33Å; A57-R141 PolarHBondContact O-NE 3.48Å; Q59-R141 PolarHBondContact O-NH2 2.93Å; H117-R141 PolarHBondContact CD2-NH1 3.32Å; H117-R141 VanDerWaalsContact CD2-NH1 3.34Å; H117-R141 PolarHBondContact CE1-NH1 2.96Å; H117-R141 PolarHBondContact ND1-NH1 3.4Å; H117-R141 PolarHBondContact NE2-NH1 2.98Å; D132-R141 IonicContact OD1-CZ 2.68Å; D132-R141 IonicContact OD1-NE 2.71Å; D132-R141 IonicContact OD1-NH1 3.86Å; D132-R141 PolarHBondContact OD1-NH1 3.49Å; D132-R141 IonicContact OD1-NH2 3.75Å; D132-R141 IonicContact OD2-CZ 2.78Å; D132-R141 VanDerWaalsContact OD2-CZ 3.28Å; D132-R141 IonicContact OD2-NH1 3.45Å; D132-R141 PolarHBondContact OD2-NH1 3.3Å; D132-R141 IonicContact OD2-NH2 3.84Å; D132-R141 PolarHBondContact OD2-NH2 3.34Å; D132-R141 VanDerWaalsContact OD2-NH2 3.17Å; I133-R141 CarbonylContact O-C 3.53Å; I133-R141 VanDerWaalsContact O-CA 3.26Å; I133-R141 WeakPolarHBondContact O-CA 3.43Å; I133-R141 WeakPolarHBondContact O-CB 3.36Å
142	L	89.6	Confident	88.5	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.2	175.7	-70.2	-175.6	0	0	0	110.2	E54 W102 W103 P104 I133	E54-L142 HydrophobicContact CB-CD2 3.64Å; E54-L142 HydrophobicContact CG-CD2 4.01Å; W102-L142 VanDerWaalsContact O-CD1 3.31Å; W102-L142 WeakPolarHBondContact O-CD1 3.37Å; W103-L142 HydrophobicContact CD2-CD1 4.26Å; W103-L142 HydrophobicContact CE3-CD1 3.33Å; W103-L142 HydrophobicContact CE3-CG 3.95Å; W103-L142 HydrophobicContact CZ3-CB 4Å; W103-L142 HydrophobicContact CZ3-CD1 3.5Å; W103-L142 HydrophobicContact CZ3-CG 3.59Å; P104-L142 HydrophobicContact CG-CD1 4.39Å; I133-L142 PolarHBondContact N-O 3.48Å; I133-L142 PolarHBondContact O-N 2.81Å
143	I	91.8	Very high	88.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	108.7	171.2	-52.6	-54.5	0	0	0	107.9	C52 V53 I55 Y61 A130 L131 D132 V145	C52-I143 VanDerWaalsContact CA-O 3.31Å; C52-I143 WeakPolarHBondContact CA-O 3.12Å; V53-I143 HydrophobicContact CB-CB 4.45Å; V53-I143 PolarHBondContact N-O 2.93Å; V53-I143 PolarHBondContact O-N 2.84Å; I55-I143 HydrophobicContact CD1-CD1 3.68Å; I55-I143 HydrophobicContact CD1-CG1 3.72Å; I55-I143 HydrophobicContact CG1-CD1 4.4Å; I55-I143 HydrophobicContact CG1-CG1 4.17Å; Y61-I143 HydrophobicContact CD1-CG1 4.33Å; Y61-I143 HydrophobicContact CD1-CG2 3.79Å; Y61-I143 HydrophobicContact CD2-CG1 3.91Å; Y61-I143 HydrophobicContact CD2-CG2 4.49Å; Y61-I143 HydrophobicContact CE1-CG2 3.71Å; Y61-I143 HydrophobicContact CE2-CG1 4.4Å; Y61-I143 HydrophobicContact CE2-CG2 4.41Å; Y61-I143 HydrophobicContact CG-CD1 4.19Å; Y61-I143 HydrophobicContact CG-CG1 3.85Å; Y61-I143 HydrophobicContact CG-CG2 4.18Å; A130-I143 HydrophobicContact CB-CG2 3.79Å; L131-I143 WeakPolarHBondContact O-CA 3.49Å; D132-I143 HydrophobicContact CB-CD1 3.57Å; D132-I143 WeakPolarHBondContact OD1-CD1 3.46Å; I143-V145 HydrophobicContact CG2-CG2 4.08Å
144	H	91.6	Very high	88.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	118.7	175.4	-72	-88.5	0	0	0	109.9	C52 L101 W102 A130 L131 I133 F146	C52-H144 PolarHBondContact SG-CE1 3.21Å; L101-H144 PolarHBondContact O-CE1 2.69Å; W102-H144 PolarHBondContact O-CE1 2.94Å; W102-H144 VanDerWaalsContact O-CE1 3.28Å; W102-H144 PolarHBondContact O-NE2 3.13Å; A130-H144 CarbonylContact C-O 3.51Å; A130-H144 VanDerWaalsContact CA-O 3.23Å; A130-H144 WeakPolarHBondContact CA-O 3.16Å; L131-H144 PolarHBondContact N-O 3.46Å; L131-H144 PolarHBondContact O-N 3.43Å; I133-H144 WeakPolarHBondContact CD1-CD2 3.46Å; H144-F146 HydrophobicContact CB-CD2 4.29Å; H144-F146 HydrophobicContact CB-CE2 3.45Å; H144-F146 VanDerWaalsContact CB-CE2 3.45Å; H144-F146 HydrophobicContact CB-CZ 3.81Å
145	V	92.6	Very high	89.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.5	-178.1	178.6	0	0	0	0	110.5	E50 Y51 L66 K128 A130 I143	E50-V145 HydrophobicContact CB-CG1 4.42Å; E50-V145 PolarHBondContact N-O 2.81Å; Y51-V145 HydrophobicContact CD1-CB 4.29Å; Y51-V145 HydrophobicContact CD1-CG1 4.43Å; Y51-V145 HydrophobicContact CD2-CB 4.16Å; Y51-V145 HydrophobicContact CD2-CG2 4.06Å; Y51-V145 HydrophobicContact CE1-CB 3.86Å; Y51-V145 HydrophobicContact CE1-CG1 3.69Å; Y51-V145 HydrophobicContact CE1-CG2 4.28Å; Y51-V145 HydrophobicContact CE2-CB 3.76Å; Y51-V145 HydrophobicContact CE2-CG1 4.34Å; Y51-V145 HydrophobicContact CE2-CG2 3.36Å; Y51-V145 HydrophobicContact CG-CB 4.39Å; Y51-V145 VanDerWaalsContact CZ-CG2 3.45Å; Y51-V145 PolarHBondContact O-N 2.85Å; Y51-V145 WeakPolarHBondContact OH-CG2 3.29Å; L66-V145 HydrophobicContact CD1-CB 4.21Å; L66-V145 HydrophobicContact CD1-CG1 3.5Å; L66-V145 HydrophobicContact CD1-CG2 3.66Å; K128-V145 HydrophobicContact CD-CG1 4.12Å; K128-V145 HydrophobicContact CG-CG1 3.98Å; A130-V145 HydrophobicContact CB-CG2 3.83Å; I143-V145 HydrophobicContact CG2-CG2 4.08Å
146	F	94	Very high	89.8	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152.9	-176.9	-59.9	-81.1	0	0	0	111.1	V47 F48 I49 L86 K128 F129 L131 H144	V47-F146 HydrophobicContact CB-CD1 4.35Å; V47-F146 HydrophobicContact CG2-CD1 3.9Å; V47-F146 HydrophobicContact CG2-CE1 4.29Å; F48-F146 CarbonylContact O-C 3.55Å; F48-F146 WeakPolarHBondContact O-CA 3.25Å; I49-F146 HydrophobicContact CB-CD1 3.96Å; I49-F146 HydrophobicContact CB-CE1 3.91Å; I49-F146 HydrophobicContact CD1-CE1 4.17Å; I49-F146 HydrophobicContact CG1-CD1 4.28Å; I49-F146 HydrophobicContact CG1-CE1 4.04Å; L86-F146 HydrophobicContact CD1-CE1 3.93Å; K128-F146 WeakPolarHBondContact CA-O 3.09Å; F129-F146 HydrophobicContact CD1-CB 4.25Å; F129-F146 HydrophobicContact CD2-CB 4.47Å; F129-F146 HydrophobicContact CE1-CB 3.63Å; F129-F146 HydrophobicContact CE2-CB 3.88Å; F129-F146 AromaticContact CE2-CD2 3.88Å; F129-F146 HydrophobicContact CE2-CD2 3.88Å; F129-F146 HydrophobicContact CE2-CG 4.24Å; F129-F146 HydrophobicContact CZ-CB 3.41Å; F129-F146 VanDerWaalsContact CZ-CB 3.41Å; F129-F146 HydrophobicContact CZ-CD2 4.17Å; F129-F146 HydrophobicContact CZ-CG 4.06Å; F129-F146 PolarHBondContact N-O 2.84Å; F129-F146 PolarHBondContact O-N 3.43Å; F129-F146 VanDerWaalsContact O-O 3.05Å; L131-F146 HydrophobicContact CB-CE2 4.49Å; L131-F146 HydrophobicContact CD1-CD2 4.3Å; L131-F146 HydrophobicContact CD1-CE2 3.73Å; L131-F146 HydrophobicContact CG-CD2 4.14Å; L131-F146 HydrophobicContact CG-CE2 3.91Å; H144-F146 HydrophobicContact CB-CD2 4.29Å; H144-F146 HydrophobicContact CB-CE2 3.45Å; H144-F146 VanDerWaalsContact CB-CE2 3.45Å; H144-F146 HydrophobicContact CB-CZ 3.81Å
147	S	94.4	Very high	91	Very high	9 Å²	9	50.2 Å²	50.2	6%	0.063	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.8	163	-84.7	0	0	0	0	109.4	F48 E50 R127	F48-S147 WeakPolarHBondContact CD2-O 3.44Å; F48-S147 PolarHBondContact N-O 3.46Å; F48-S147 PolarHBondContact O-N 2.97Å; E50-S147 PolarHBondContact OE1-OG 2.74Å; R127-S147 WeakPolarHBondContact O-CA 3.25Å
148	A	95.9	Very high	92.3	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.033	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	170.7	170	0	0	0	0	0	110.9	R127 F129 N150 E153 R154	R127-A148 PolarHBondContact O-N 3.45Å; F129-A148 HydrophobicContact CE1-CB 4.36Å; A148-N150 VanDerWaalsContact C-N 3.3Å; A148-N150 PolarHBondContact O-N 2.95Å; A148-E153 HydrophobicContact CB-CB 4.42Å; A148-R154 HydrophobicContact CB-CB 3.79Å
149	V	94.8	Very high	93.5	Very high	62 Å²	62	41.2 Å²	41.2	38%	0.376	21%	0.214	S	C	.	.	S	Bend	trans	-60.5	-42.2	174.5	-175.7	0	0	0	0	111.1	K46 F48 R127 E153	K46-V149 HydrophobicContact CB-CG2 4.09Å; K46-V149 HydrophobicContact CD-CG2 4.4Å; K46-V149 HydrophobicContact CG-CG2 4.37Å; F48-V149 HydrophobicContact CE2-CG2 4.21Å; R127-V149 WeakPolarHBondContact CD-O 3.31Å; V149-E153 VanDerWaalsContact CB-OE2 3.31Å; V149-E153 WeakPolarHBondContact CB-OE2 3.46Å; V149-E153 WeakPolarHBondContact CG2-OE2 3.42Å
150	N	95.9	Very high	94.3	Very high	57 Å²	57	40.7 Å²	40.7	31%	0.305	20%	0.203	S	C	.	.	S	Bend	trans	-152.6	169.8	-179.4	59.4	69.5	0	0	0	111.3	A148 K152 E153 R154	A148-N150 VanDerWaalsContact C-N 3.3Å; A148-N150 PolarHBondContact O-N 2.95Å; N150-K152 VanDerWaalsContact C-N 3.31Å; N150-K152 PolarHBondContact O-N 2.85Å; N150-K152 WeakPolarHBondContact OD1-CA 3.33Å; N150-K152 WeakPolarHBondContact OD1-CB 3.44Å; N150-K152 PolarHBondContact OD1-N 3.16Å; N150-E153 PolarHBondContact ND2-OE1 3.4Å; N150-E153 PolarHBondContact O-N 3.45Å; N150-E153 PolarHBondContact OD1-N 2.99Å; N150-R154 PolarHBondContact O-N 3.47Å
151	R	96.7	Very high	94.9	Very high	129 Å²	129	36.9 Å²	36.9	49%	0.487	19%	0.186	S	C	.	.	H	α-helix	trans	-57.8	-36.8	178.5	170.4	174.6	176.8	166.5	-1.2	114.4	E126 R154 N155	E126-R151 HydrophobicContact CB-CB 4.18Å; E126-R151 HydrophobicContact CB-CG 4.29Å; E126-R151 VanDerWaalsContact CD-CD 3.48Å; E126-R151 HydrophobicContact CG-CB 4.11Å; E126-R151 WeakPolarHBondContact O-CA 3.27Å; E126-R151 WeakPolarHBondContact O-CB 3.49Å; E126-R151 WeakPolarHBondContact OE2-CD 3.37Å; E126-R151 IonicContact OE2-CZ 3.13Å; E126-R151 IonicContact OE2-NE 3.7Å; E126-R151 IonicContact OE2-NH1 2.74Å; E126-R151 PolarHBondContact OE2-NH1 2.95Å; R151-R154 PolarHBondContact O-N 3.46Å; R151-N155 WeakPolarHBondContact O-CB 3.29Å; R151-N155 VanDerWaalsContact O-CG 3.25Å; R151-N155 PolarHBondContact O-N 2.75Å; R151-N155 PolarHBondContact O-OD1 2.95Å
152	K	96.9	Very high	95.2	Very high	157 Å²	157	38.5 Å²	38.5	68%	0.683	20%	0.199	S	C	*	.	H	α-helix	trans	-65.4	-50.1	-178.8	-176.3	-170.9	171.2	-168.8	0	109.8	N150 R154 N155 E156	N150-K152 VanDerWaalsContact C-N 3.31Å; N150-K152 PolarHBondContact O-N 2.85Å; N150-K152 WeakPolarHBondContact OD1-CA 3.33Å; N150-K152 WeakPolarHBondContact OD1-CB 3.44Å; N150-K152 PolarHBondContact OD1-N 3.16Å; K152-R154 PolarHBondContact O-N 2.95Å; K152-N155 PolarHBondContact O-N 2.86Å; K152-E156 WeakPolarHBondContact O-CB 3.45Å; K152-E156 PolarHBondContact O-N 2.97Å
153	E	95.7	Very high	95.4	Very high	55 Å²	55	44.6 Å²	44.6	26%	0.257	23%	0.226	S	C	.	.	H	α-helix	trans	-60.8	-41	176.1	-76.8	174.7	-132	0	0	112.4	A148 V149 N150 N155 E156 L157	A148-E153 HydrophobicContact CB-CB 4.42Å; V149-E153 VanDerWaalsContact CB-OE2 3.31Å; V149-E153 WeakPolarHBondContact CB-OE2 3.46Å; V149-E153 WeakPolarHBondContact CG2-OE2 3.42Å; N150-E153 PolarHBondContact ND2-OE1 3.4Å; N150-E153 PolarHBondContact O-N 3.45Å; N150-E153 PolarHBondContact OD1-N 2.99Å; E153-N155 PolarHBondContact O-N 3.13Å; E153-E156 PolarHBondContact O-N 3.45Å; E153-L157 WeakPolarHBondContact O-CB 3.2Å; E153-L157 PolarHBondContact O-N 2.83Å
154	R	96.7	Very high	95.5	Very high	16 Å²	16	45.2 Å²	45.2	6%	0.06	23%	0.23	C	C	.	.	H	α-helix	trans	-55.8	-50.6	172.9	-175.3	-161.9	68.3	155.3	13.5	111.4	E121 E126 F129 A148 N150 R151 K152 L157 L158	E121-R154 IonicContact OE2-CZ 3.49Å; E121-R154 IonicContact OE2-NH1 3.17Å; E121-R154 IonicContact OE2-NH2 3.7Å; E121-R154 PolarHBondContact OE2-NH2 3.14Å; E126-R154 VanDerWaalsContact O-CD 3.25Å; E126-R154 WeakPolarHBondContact O-CD 3.39Å; E126-R154 VanDerWaalsContact O-CZ 3.32Å; E126-R154 PolarHBondContact O-NE 3.45Å; E126-R154 PolarHBondContact O-NH1 2.9Å; F129-R154 HydrophobicContact CD1-CG 3.92Å; A148-R154 HydrophobicContact CB-CB 3.79Å; N150-R154 PolarHBondContact O-N 3.47Å; R151-R154 PolarHBondContact O-N 3.46Å; K152-R154 PolarHBondContact O-N 2.95Å; R154-L157 PolarHBondContact O-N 3.31Å; R154-L158 HydrophobicContact CG-CD1 3.98Å; R154-L158 WeakPolarHBondContact O-CB 3.35Å; R154-L158 VanDerWaalsContact O-CG 3.31Å; R154-L158 WeakPolarHBondContact O-CG 3.41Å; R154-L158 PolarHBondContact O-N 3.23Å
155	N	96.9	Very high	95.6	Very high	68 Å²	68	46.4 Å²	46.4	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-65.6	-41.8	-177.3	-71.2	9.8	0	0	0	111.8	R151 K152 E153 A159	R151-N155 WeakPolarHBondContact O-CB 3.29Å; R151-N155 VanDerWaalsContact O-CG 3.25Å; R151-N155 PolarHBondContact O-N 2.75Å; R151-N155 PolarHBondContact O-OD1 2.95Å; K152-N155 PolarHBondContact O-N 2.86Å; E153-N155 PolarHBondContact O-N 3.13Å; N155-A159 VanDerWaalsContact O-CB 3.26Å; N155-A159 WeakPolarHBondContact O-CB 3.21Å; N155-A159 PolarHBondContact O-N 2.75Å
156	E	96.7	Very high	95.7	Very high	102 Å²	102	52.5 Å²	52.5	48%	0.477	27%	0.268	S	S	.	.	H	α-helix	trans	-64.6	-43.3	176.9	-172.2	172.4	170.5	0	0	111.8	F45 K152 E153 T160	F45-E156 HydrophobicContact CE1-CB 4.26Å; F45-E156 HydrophobicContact CE1-CG 4.03Å; F45-E156 HydrophobicContact CZ-CG 4.25Å; K152-E156 WeakPolarHBondContact O-CB 3.45Å; K152-E156 PolarHBondContact O-N 2.97Å; E153-E156 PolarHBondContact O-N 3.45Å; E156-T160 WeakPolarHBondContact O-CB 3.48Å; E156-T160 PolarHBondContact O-N 3.3Å; E156-T160 PolarHBondContact O-OG1 3.4Å
157	L	96.8	Very high	95.7	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-53.4	174.4	171.9	60.2	0	0	0	111.6	F45 V47 L88 L90 F129 E153 R154 A159 T160 I161	F45-L157 HydrophobicContact CB-CD1 4.07Å; F45-L157 HydrophobicContact CB-CD2 4.38Å; F45-L157 HydrophobicContact CD1-CB 3.87Å; F45-L157 HydrophobicContact CD1-CD1 4.35Å; F45-L157 HydrophobicContact CD2-CB 4.44Å; F45-L157 HydrophobicContact CD2-CD1 3.49Å; F45-L157 VanDerWaalsContact CD2-CD1 3.49Å; F45-L157 HydrophobicContact CE1-CB 3.99Å; F45-L157 HydrophobicContact CE2-CD1 3.93Å; F45-L157 HydrophobicContact CG-CB 4.1Å; F45-L157 HydrophobicContact CG-CD1 3.72Å; F45-L157 HydrophobicContact CG-CG 4.35Å; F45-L157 HydrophobicContact CZ-CB 4.32Å; V47-L157 HydrophobicContact CG1-CD2 3.76Å; L88-L157 HydrophobicContact CD2-CD1 3.86Å; L88-L157 HydrophobicContact CD2-CD2 4.18Å; L88-L157 HydrophobicContact CG-CD1 4.47Å; L90-L157 HydrophobicContact CD1-CD1 3.99Å; F129-L157 HydrophobicContact CE1-CD2 3.9Å; F129-L157 HydrophobicContact CE2-CD2 4.04Å; F129-L157 HydrophobicContact CZ-CD2 3.37Å; E153-L157 WeakPolarHBondContact O-CB 3.2Å; E153-L157 PolarHBondContact O-N 2.83Å; R154-L157 PolarHBondContact O-N 3.31Å; L157-A159 PolarHBondContact O-N 3.42Å; L157-T160 PolarHBondContact O-N 2.61Å; L157-T160 VanDerWaalsContact O-N 3.13Å; L157-I161 HydrophobicContact CD1-CD1 3.72Å; L157-I161 HydrophobicContact CD1-CG1 4.03Å; L157-I161 HydrophobicContact CG-CD1 3.91Å; L157-I161 WeakPolarHBondContact O-CG1 3.15Å; L157-I161 PolarHBondContact O-N 2.78Å
158	L	97	Very high	95.6	Very high	9 Å²	9	57.7 Å²	57.7	5%	0.047	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-38.8	-178	-69.4	175.1	0	0	0	112.6	L119 E121 F129 R154 T160 S162	L119-L158 HydrophobicContact CB-CD2 4.44Å; L119-L158 HydrophobicContact CD2-CD2 4.26Å; E121-L158 HydrophobicContact CG-CD1 3.48Å; E121-L158 VanDerWaalsContact CG-CD1 3.48Å; F129-L158 HydrophobicContact CB-CD1 4.1Å; F129-L158 HydrophobicContact CB-CD2 4.19Å; F129-L158 HydrophobicContact CD2-CD2 3.8Å; F129-L158 HydrophobicContact CE2-CD2 4.47Å; F129-L158 HydrophobicContact CG-CD2 4.13Å; R154-L158 HydrophobicContact CG-CD1 3.98Å; R154-L158 WeakPolarHBondContact O-CB 3.35Å; R154-L158 VanDerWaalsContact O-CG 3.31Å; R154-L158 WeakPolarHBondContact O-CG 3.41Å; R154-L158 PolarHBondContact O-N 3.23Å; L158-T160 VanDerWaalsContact C-N 3.33Å; L158-S162 VanDerWaalsContact O-CB 3.32Å; L158-S162 WeakPolarHBondContact O-CB 3.49Å; L158-S162 PolarHBondContact O-N 3.02Å; L158-S162 PolarHBondContact O-OG 3.49Å
159	A	96.4	Very high	95.5	Very high	61 Å²	61	61.3 Å²	61.3	50%	0.504	31%	0.307	S	S	.	.	H	α-helix	trans	-63.4	-39.7	172.7	0	0	0	0	0	111.6	N155 L157 K163	N155-A159 VanDerWaalsContact O-CB 3.26Å; N155-A159 WeakPolarHBondContact O-CB 3.21Å; N155-A159 PolarHBondContact O-N 2.75Å; L157-A159 PolarHBondContact O-N 3.42Å; A159-K163 WeakPolarHBondContact O-CB 3.31Å; A159-K163 PolarHBondContact O-N 3.34Å
160	T	95.9	Very high	95.4	Very high	31 Å²	31	63.9 Å²	63.9	19%	0.19	32%	0.315	C	S	.	.	H	α-helix	trans	-67.9	-46.6	177.3	-53.5	0	0	0	0	111.5	L90 E156 L157 L158 S162 K163 S164	L90-T160 HydrophobicContact CD1-CG2 3.53Å; E156-T160 WeakPolarHBondContact O-CB 3.48Å; E156-T160 PolarHBondContact O-N 3.3Å; E156-T160 PolarHBondContact O-OG1 3.4Å; L157-T160 PolarHBondContact O-N 2.61Å; L157-T160 VanDerWaalsContact O-N 3.13Å; L158-T160 VanDerWaalsContact C-N 3.33Å; T160-S162 VanDerWaalsContact C-N 3.35Å; T160-S162 PolarHBondContact O-N 2.98Å; T160-K163 PolarHBondContact O-N 3.08Å; T160-S164 PolarHBondContact O-N 3.23Å; T160-S164 PolarHBondContact O-OG 2.85Å
161	I	96.7	Very high	95.2	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59	-47.3	175.7	-61.5	163.1	0	0	0	110.3	L90 M95 Y113 L116 L119 L131 L157 K163 S164 A165	L90-I161 HydrophobicContact CD1-CG1 3.7Å; L90-I161 HydrophobicContact CD2-CG1 3.85Å; L90-I161 HydrophobicContact CG-CG1 4.46Å; M95-I161 HydrophobicContact CE-CD1 3.7Å; M95-I161 HydrophobicContact CE-CG1 3.89Å; M95-I161 HydrophobicContact CE-CG2 4.21Å; M95-I161 HydrophobicContact SD-CG1 4.47Å; M95-I161 HydrophobicContact SD-CG2 3.87Å; Y113-I161 HydrophobicContact CE1-CG2 4.25Å; L116-I161 HydrophobicContact CD2-CG2 3.57Å; L119-I161 HydrophobicContact CD1-CB 4.15Å; L119-I161 HydrophobicContact CD1-CG2 3.92Å; L119-I161 HydrophobicContact CD2-CD1 4.47Å; L119-I161 HydrophobicContact CD2-CG2 4.01Å; L131-I161 HydrophobicContact CD2-CD1 4.1Å; L157-I161 HydrophobicContact CD1-CD1 3.72Å; L157-I161 HydrophobicContact CD1-CG1 4.03Å; L157-I161 HydrophobicContact CG-CD1 3.91Å; L157-I161 WeakPolarHBondContact O-CG1 3.15Å; L157-I161 PolarHBondContact O-N 2.78Å; I161-K163 VanDerWaalsContact C-N 3.32Å; I161-K163 PolarHBondContact O-N 3.48Å; I161-S164 PolarHBondContact O-N 3.24Å; I161-A165 WeakPolarHBondContact O-CB 3.47Å; I161-A165 PolarHBondContact O-N 2.84Å
162	S	95.5	Very high	94.9	Very high	47 Å²	47	58.7 Å²	58.7	33%	0.329	30%	0.296	S	S	.	.	H	α-helix	trans	-58.2	-44.3	179.2	-59.8	0	0	0	0	111.8	L119 L158 T160 Q166	L119-S162 WeakPolarHBondContact CD1-OG 3.45Å; L158-S162 VanDerWaalsContact O-CB 3.32Å; L158-S162 WeakPolarHBondContact O-CB 3.49Å; L158-S162 PolarHBondContact O-N 3.02Å; L158-S162 PolarHBondContact O-OG 3.49Å; T160-S162 VanDerWaalsContact C-N 3.35Å; T160-S162 PolarHBondContact O-N 2.98Å; S162-Q166 WeakPolarHBondContact O-CB 3.4Å; S162-Q166 VanDerWaalsContact O-CG 3.26Å; S162-Q166 WeakPolarHBondContact O-CG 3.34Å; S162-Q166 PolarHBondContact O-N 2.85Å; S162-Q166 VanDerWaalsContact O-N 3.08Å
163	K	94.4	Very high	94.7	Very high	128 Å²	128	54.9 Å²	54.9	56%	0.557	28%	0.283	S	S	*	.	H	α-helix	trans	-64.7	-48.3	177.2	-177.2	-177.2	175.4	-174.4	0	111.6	A159 T160 I161 A165 Q166 Q167	A159-K163 WeakPolarHBondContact O-CB 3.31Å; A159-K163 PolarHBondContact O-N 3.34Å; T160-K163 PolarHBondContact O-N 3.08Å; I161-K163 VanDerWaalsContact C-N 3.32Å; I161-K163 PolarHBondContact O-N 3.48Å; K163-A165 PolarHBondContact O-N 3.11Å; K163-Q166 PolarHBondContact O-N 3.05Å; K163-Q167 WeakPolarHBondContact O-CG 3.46Å; K163-Q167 PolarHBondContact O-N 3.47Å
164	S	94.3	Very high	94.6	Very high	13 Å²	13	58 Å²	58	9%	0.091	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-41.2	179.7	-62.7	0	0	0	0	112.1	Y113 T160 I161 Q166 Q167 Y168	Y113-S164 VanDerWaalsContact OH-CB 3.23Å; Y113-S164 WeakPolarHBondContact OH-CB 3.38Å; T160-S164 PolarHBondContact O-N 3.23Å; T160-S164 PolarHBondContact O-OG 2.85Å; I161-S164 PolarHBondContact O-N 3.24Å; S164-Q166 PolarHBondContact O-N 3.35Å; S164-Q167 PolarHBondContact O-N 2.92Å; S164-Y168 VanDerWaalsContact O-CB 3.28Å; S164-Y168 WeakPolarHBondContact O-CB 3.48Å; S164-Y168 PolarHBondContact O-N 2.86Å
165	A	94	Very high	94.3	Very high	25 Å²	25	62 Å²	62	21%	0.207	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-40.7	175.7	0	0	0	0	0	112.3	Y113 L116 I161 K163 Y168 Q169	Y113-A165 HydrophobicContact CD1-CB 4.02Å; Y113-A165 HydrophobicContact CG-CB 4.24Å; L116-A165 HydrophobicContact CD2-CB 4.39Å; I161-A165 WeakPolarHBondContact O-CB 3.47Å; I161-A165 PolarHBondContact O-N 2.84Å; K163-A165 PolarHBondContact O-N 3.11Å; A165-Y168 PolarHBondContact O-N 2.86Å; A165-Q169 WeakPolarHBondContact O-CB 3.38Å; A165-Q169 PolarHBondContact O-N 2.78Å
166	Q	93.9	Very high	94.1	Very high	128 Å²	128	64.4 Å²	64.4	60%	0.598	32%	0.321	S	S	*	.	H	α-helix	trans	-63.9	-44.1	173.5	-73.7	172.8	6.9	0	0	112.3	S162 K163 S164 Q169 Q170	S162-Q166 WeakPolarHBondContact O-CB 3.4Å; S162-Q166 VanDerWaalsContact O-CG 3.26Å; S162-Q166 WeakPolarHBondContact O-CG 3.34Å; S162-Q166 PolarHBondContact O-N 2.85Å; S162-Q166 VanDerWaalsContact O-N 3.08Å; K163-Q166 PolarHBondContact O-N 3.05Å; S164-Q166 PolarHBondContact O-N 3.35Å; Q166-Q169 PolarHBondContact O-N 3.22Å; Q166-Q170 WeakPolarHBondContact O-CG 3.39Å; Q166-Q170 PolarHBondContact O-N 3.02Å
167	Q	93.3	Very high	93.9	Very high	89 Å²	89	61.4 Å²	61.4	42%	0.416	31%	0.313	S	S	.	.	H	α-helix	trans	-63.3	-43.6	176.7	-72.6	178.7	-50.3	0	0	111.5	K163 S164 Q169 Q170 I171	K163-Q167 WeakPolarHBondContact O-CG 3.46Å; K163-Q167 PolarHBondContact O-N 3.47Å; S164-Q167 PolarHBondContact O-N 2.92Å; Q167-Q169 PolarHBondContact O-N 3.04Å; Q167-Q170 WeakPolarHBondContact O-CB 3.21Å; Q167-Q170 PolarHBondContact O-N 3.47Å; Q167-I171 WeakPolarHBondContact O-CG1 3.44Å; Q167-I171 PolarHBondContact O-N 3.39Å
168	Y	93.7	Very high	93.7	Very high	29 Å²	29	65.5 Å²	65.5	11%	0.114	33%	0.334	C	S	.	.	H	α-helix	trans	-60.8	-43.9	175.6	179.9	-103.3	0	0	0	112.3	K93 Y113 E114 S164 A165 Q170 I171 I172	K93-Y168 HydrophobicContact CB-CD2 4Å; K93-Y168 HydrophobicContact CB-CE2 3.84Å; K93-Y168 HydrophobicContact CG-CD2 4.06Å; K93-Y168 HydrophobicContact CG-CE2 4.04Å; Y113-Y168 HydrophobicContact CD2-CD2 4.4Å; Y113-Y168 HydrophobicContact CD2-CG 4.04Å; E114-Y168 HydrophobicContact CB-CE1 4.02Å; S164-Y168 VanDerWaalsContact O-CB 3.28Å; S164-Y168 WeakPolarHBondContact O-CB 3.48Å; S164-Y168 PolarHBondContact O-N 2.86Å; A165-Y168 PolarHBondContact O-N 2.86Å; Y168-Q170 VanDerWaalsContact C-N 3.31Å; Y168-Q170 PolarHBondContact O-N 3.22Å; Y168-I171 PolarHBondContact O-N 3.05Å; Y168-I172 HydrophobicContact CD1-CD1 3.91Å; Y168-I172 HydrophobicContact CE1-CD1 3.3Å; Y168-I172 HydrophobicContact CE1-CG1 4.24Å; Y168-I172 HydrophobicContact CE2-CD1 4.33Å; Y168-I172 PolarHBondContact O-N 3.2Å
169	Q	92.7	Very high	93.4	Very high	81 Å²	81	70.7 Å²	70.7	38%	0.379	36%	0.358	S	S	.	.	H	α-helix	trans	-63.8	-35.8	175.4	-169.6	62.4	58.1	0	0	112.5	A165 Q166 Q167 N173	A165-Q169 WeakPolarHBondContact O-CB 3.38Å; A165-Q169 PolarHBondContact O-N 2.78Å; Q166-Q169 PolarHBondContact O-N 3.22Å; Q167-Q169 PolarHBondContact O-N 3.04Å; Q169-N173 PolarHBondContact NE2-OD1 3.43Å; Q169-N173 VanDerWaalsContact O-CB 3.31Å; Q169-N173 WeakPolarHBondContact O-CB 3.25Å; Q169-N173 PolarHBondContact O-N 2.97Å; Q169-N173 PolarHBondContact O-ND2 2.81Å; Q169-N173 PolarHBondContact O-OD1 3.24Å
170	Q	92.9	Very high	93.2	Very high	115 Å²	115	73.5 Å²	73.5	54%	0.537	36%	0.361	S	S	.	.	H	α-helix	trans	-63.7	-44	172.6	-71.5	170.7	1.2	0	0	111.4	Q166 Q167 Y168 N173 Q174	Q166-Q170 WeakPolarHBondContact O-CG 3.39Å; Q166-Q170 PolarHBondContact O-N 3.02Å; Q167-Q170 WeakPolarHBondContact O-CB 3.21Å; Q167-Q170 PolarHBondContact O-N 3.47Å; Y168-Q170 VanDerWaalsContact C-N 3.31Å; Y168-Q170 PolarHBondContact O-N 3.22Å; Q170-N173 PolarHBondContact O-N 2.91Å; Q170-Q174 WeakPolarHBondContact O-CB 3.23Å; Q170-Q174 VanDerWaalsContact O-CG 3.28Å; Q170-Q174 WeakPolarHBondContact O-CG 3.47Å; Q170-Q174 PolarHBondContact O-N 3.49Å
171	I	91.3	Very high	93	Very high	57 Å²	57	78.5 Å²	78.5	29%	0.292	38%	0.382	S	S	.	.	H	α-helix	trans	-60.6	-48.5	176.8	-67.4	162.8	0	0	0	110.8	Q167 Y168 N173 Q174 Q175	Q167-I171 WeakPolarHBondContact O-CG1 3.44Å; Q167-I171 PolarHBondContact O-N 3.39Å; Y168-I171 PolarHBondContact O-N 3.05Å; I171-N173 PolarHBondContact O-N 3Å; I171-Q174 PolarHBondContact O-N 2.88Å; I171-Q175 HydrophobicContact CG2-CG 4.48Å; I171-Q175 WeakPolarHBondContact O-CB 3.28Å; I171-Q175 VanDerWaalsContact O-CG 3.31Å; I171-Q175 WeakPolarHBondContact O-CG 3.21Å; I171-Q175 PolarHBondContact O-N 3.32Å
172	I	90.7	Very high	92.7	Very high	20 Å²	20	83.5 Å²	83.5	10%	0.103	41%	0.406	C	S	.	.	H	α-helix	trans	-59.1	-46	175.9	-73.7	-178.9	0	0	0	111.3	Y168 Q174 Q175 R176	Y168-I172 HydrophobicContact CD1-CD1 3.91Å; Y168-I172 HydrophobicContact CE1-CD1 3.3Å; Y168-I172 HydrophobicContact CE1-CG1 4.24Å; Y168-I172 HydrophobicContact CE2-CD1 4.33Å; Y168-I172 PolarHBondContact O-N 3.2Å; I172-Q174 VanDerWaalsContact C-N 3.33Å; I172-Q174 PolarHBondContact O-N 2.91Å; I172-Q175 PolarHBondContact O-N 2.73Å; I172-R176 WeakPolarHBondContact O-CB 3.36Å; I172-R176 PolarHBondContact O-N 3.02Å
173	N	92.2	Very high	92.2	Very high	78 Å²	78	83.7 Å²	83.7	42%	0.417	41%	0.41	S	S	.	.	H	α-helix	trans	-65	-38.4	-178.5	-71.2	-11.3	0	0	0	111.7	Q169 Q170 I171 A177	Q169-N173 PolarHBondContact NE2-OD1 3.43Å; Q169-N173 VanDerWaalsContact O-CB 3.31Å; Q169-N173 WeakPolarHBondContact O-CB 3.25Å; Q169-N173 PolarHBondContact O-N 2.97Å; Q169-N173 PolarHBondContact O-ND2 2.81Å; Q169-N173 PolarHBondContact O-OD1 3.24Å; Q170-N173 PolarHBondContact O-N 2.91Å; I171-N173 PolarHBondContact O-N 3Å; N173-A177 WeakPolarHBondContact O-CB 3.29Å; N173-A177 PolarHBondContact O-N 3.18Å
174	Q	93.5	Very high	92	Very high	121 Å²	121	82 Å²	82	57%	0.565	41%	0.411	S	S	*	.	H	α-helix	trans	-65	-46.7	173.5	-73.4	171.8	4.4	0	0	111.7	Q170 I171 I172 R176 A177 I178	Q170-Q174 WeakPolarHBondContact O-CB 3.23Å; Q170-Q174 VanDerWaalsContact O-CG 3.28Å; Q170-Q174 WeakPolarHBondContact O-CG 3.47Å; Q170-Q174 PolarHBondContact O-N 3.49Å; I171-Q174 PolarHBondContact O-N 2.88Å; I172-Q174 VanDerWaalsContact C-N 3.33Å; I172-Q174 PolarHBondContact O-N 2.91Å; Q174-R176 VanDerWaalsContact C-N 3.35Å; Q174-R176 PolarHBondContact O-N 2.8Å; Q174-A177 PolarHBondContact O-N 3.08Å; Q174-I178 WeakPolarHBondContact O-CG1 3.45Å; Q174-I178 PolarHBondContact O-N 3.19Å
175	Q	92	Very high	91.7	Very high	98 Å²	98	88 Å²	88	46%	0.458	43%	0.432	S	S	.	.	H	α-helix	trans	-59.2	-45	176.7	-73.7	173.4	-16.9	0	0	111.7	I171 I172 A177 I178 Q179	I171-Q175 HydrophobicContact CG2-CG 4.48Å; I171-Q175 WeakPolarHBondContact O-CB 3.28Å; I171-Q175 VanDerWaalsContact O-CG 3.31Å; I171-Q175 WeakPolarHBondContact O-CG 3.21Å; I171-Q175 PolarHBondContact O-N 3.32Å; I172-Q175 PolarHBondContact O-N 2.73Å; Q175-A177 PolarHBondContact O-N 3.38Å; Q175-I178 PolarHBondContact O-N 2.7Å; Q175-Q179 WeakPolarHBondContact O-CG 3.34Å; Q175-Q179 PolarHBondContact O-N 2.85Å
176	R	92.6	Very high	91.1	Very high	119 Å²	119	94.2 Å²	94.2	45%	0.449	45%	0.451	S	S	.	.	H	α-helix	trans	-62.3	-39.8	176	-171.1	179.4	-66.7	153.3	-1	112.2	I172 Q174 Q179 Q180	I172-R176 WeakPolarHBondContact O-CB 3.36Å; I172-R176 PolarHBondContact O-N 3.02Å; Q174-R176 VanDerWaalsContact C-N 3.35Å; Q174-R176 PolarHBondContact O-N 2.8Å; R176-Q179 PolarHBondContact O-N 2.92Å; R176-Q180 WeakPolarHBondContact O-CB 3.27Å; R176-Q180 VanDerWaalsContact O-CG 3.29Å; R176-Q180 WeakPolarHBondContact O-CG 3.44Å; R176-Q180 PolarHBondContact O-N 3.33Å
177	A	92.4	Very high	90.7	Very high	39 Å²	39	93.7 Å²	93.7	32%	0.322	45%	0.452	S	S	.	.	H	α-helix	trans	-65.5	-42.2	175.6	0	0	0	0	0	112.1	N173 Q174 Q175 Q180 Q181	N173-A177 WeakPolarHBondContact O-CB 3.29Å; N173-A177 PolarHBondContact O-N 3.18Å; Q174-A177 PolarHBondContact O-N 3.08Å; Q175-A177 PolarHBondContact O-N 3.38Å; A177-Q180 PolarHBondContact O-N 3.07Å; A177-Q181 WeakPolarHBondContact O-CG 3.47Å; A177-Q181 PolarHBondContact O-N 2.68Å
178	I	92.5	Very high	90.4	Very high	87 Å²	87	92.6 Å²	92.6	45%	0.446	45%	0.454	S	S	.	.	H	α-helix	trans	-62.3	-45.2	175.4	-67.8	163.4	0	0	0	110.6	Q174 Q175 Q180 Q181 Q182	Q174-I178 WeakPolarHBondContact O-CG1 3.45Å; Q174-I178 PolarHBondContact O-N 3.19Å; Q175-I178 PolarHBondContact O-N 2.7Å; I178-Q180 PolarHBondContact O-N 3.17Å; I178-Q181 PolarHBondContact O-N 3.46Å; I178-Q182 WeakPolarHBondContact O-CG 3.47Å; I178-Q182 PolarHBondContact O-N 2.63Å
179	Q	90.5	Very high	89.8	Confident	118 Å²	118	94.7 Å²	94.7	55%	0.551	47%	0.465	S	S	*	.	H	α-helix	trans	-60.7	-41.6	175.6	-73	170.5	-10.7	0	0	112.2	Q175 R176 Q182 A183	Q175-Q179 WeakPolarHBondContact O-CG 3.34Å; Q175-Q179 PolarHBondContact O-N 2.85Å; R176-Q179 PolarHBondContact O-N 2.92Å; Q179-Q182 PolarHBondContact O-N 2.93Å; Q179-A183 WeakPolarHBondContact O-CB 3.45Å; Q179-A183 PolarHBondContact O-N 3.33Å
180	Q	92.7	Very high	88.9	Confident	121 Å²	121	93.3 Å²	93.3	57%	0.565	47%	0.467	S	S	*	.	H	α-helix	trans	-65.4	-38	175.7	-74.5	174.1	-5.4	0	0	112.6	R176 A177 I178 T184	R176-Q180 WeakPolarHBondContact O-CB 3.27Å; R176-Q180 VanDerWaalsContact O-CG 3.29Å; R176-Q180 WeakPolarHBondContact O-CG 3.44Å; R176-Q180 PolarHBondContact O-N 3.33Å; A177-Q180 PolarHBondContact O-N 3.07Å; I178-Q180 PolarHBondContact O-N 3.17Å; Q180-T184 WeakPolarHBondContact O-CB 3.26Å; Q180-T184 PolarHBondContact O-N 2.71Å; Q180-T184 PolarHBondContact O-OG1 3.42Å
181	Q	91.4	Very high	88	Confident	136 Å²	136	91.7 Å²	91.7	64%	0.636	47%	0.469	S	S	*	.	H	α-helix	trans	-64.5	-45.2	173.8	-72.5	173.2	2.1	0	0	111.2	A177 I178 T184 Y185	A177-Q181 WeakPolarHBondContact O-CG 3.47Å; A177-Q181 PolarHBondContact O-N 2.68Å; I178-Q181 PolarHBondContact O-N 3.46Å; Q181-T184 PolarHBondContact O-N 3.31Å; Q181-Y185 WeakPolarHBondContact O-CB 3.48Å; Q181-Y185 PolarHBondContact O-N 3.02Å
182	Q	90	Very high	86.9	Confident	105 Å²	105	92.1 Å²	92.1	49%	0.491	48%	0.481	S	S	.	.	H	α-helix	trans	-61.7	-47.9	176.2	-71.9	174.1	-5	0	0	112	I178 Q179 T184 Y185 Y186	I178-Q182 WeakPolarHBondContact O-CG 3.47Å; I178-Q182 PolarHBondContact O-N 2.63Å; Q179-Q182 PolarHBondContact O-N 2.93Å; Q182-T184 VanDerWaalsContact C-N 3.32Å; Q182-T184 PolarHBondContact O-N 3.09Å; Q182-Y185 WeakPolarHBondContact O-CB 3.45Å; Q182-Y185 PolarHBondContact O-N 2.75Å; Q182-Y185 VanDerWaalsContact O-N 3.16Å; Q182-Y186 WeakPolarHBondContact O-CD2 3.18Å; Q182-Y186 PolarHBondContact O-N 3.12Å
183	A	85.7	Confident	85.4	Confident	50 Å²	50	98.4 Å²	98.4	41%	0.413	51%	0.508	S	S	.	.	H	α-helix	trans	-58.2	-43.9	176.2	0	0	0	0	0	111.9	Q179 Y185 Y186 L187	Q179-A183 WeakPolarHBondContact O-CB 3.45Å; Q179-A183 PolarHBondContact O-N 3.33Å; A183-Y185 VanDerWaalsContact C-N 3.34Å; A183-Y185 PolarHBondContact O-N 2.87Å; A183-Y186 PolarHBondContact O-N 3.17Å; A183-L187 WeakPolarHBondContact O-CB 3.27Å; A183-L187 WeakPolarHBondContact O-CG 3.18Å; A183-L187 PolarHBondContact O-N 3.4Å
184	T	89.6	Confident	83.7	Confident	94 Å²	94	103 Å²	103	58%	0.577	52%	0.524	S	S	*	.	H	α-helix	trans	-61.6	-41.4	175.9	-55.1	0	0	0	0	111.9	Q180 Q181 Q182 L187 S188	Q180-T184 WeakPolarHBondContact O-CB 3.26Å; Q180-T184 PolarHBondContact O-N 2.71Å; Q180-T184 PolarHBondContact O-OG1 3.42Å; Q181-T184 PolarHBondContact O-N 3.31Å; Q182-T184 VanDerWaalsContact C-N 3.32Å; Q182-T184 PolarHBondContact O-N 3.09Å; T184-L187 PolarHBondContact O-N 3.25Å; T184-S188 PolarHBondContact O-N 3.33Å
185	Y	87.5	Confident	81.6	Confident	137 Å²	137	101.9 Å²	101.9	54%	0.537	53%	0.53	S	S	.	.	H	α-helix	trans	-64.4	-44.3	176.8	177.6	-100.1	0	0	0	112.5	Q181 Q182 A183 S188 Q189	Q181-Y185 WeakPolarHBondContact O-CB 3.48Å; Q181-Y185 PolarHBondContact O-N 3.02Å; Q182-Y185 WeakPolarHBondContact O-CB 3.45Å; Q182-Y185 PolarHBondContact O-N 2.75Å; Q182-Y185 VanDerWaalsContact O-N 3.16Å; A183-Y185 VanDerWaalsContact C-N 3.34Å; A183-Y185 PolarHBondContact O-N 2.87Å; Y185-S188 PolarHBondContact O-N 2.83Å; Y185-S188 PolarHBondContact O-OG 3.43Å; Y185-Q189 PolarHBondContact O-N 2.99Å; Y185-Q189 VanDerWaalsContact O-N 3.14Å; Y185-Q189 PolarHBondContact OH-NE2 3.21Å; Y185-Q189 VanDerWaalsContact OH-NE2 3.08Å
186	Y	82.1	Confident	79.5	Confident	156 Å²	156	102 Å²	102	61%	0.612	54%	0.541	S	S	*	.	H	α-helix	trans	-66.3	-40.2	175.6	-73.7	-65.1	0	0	0	112.6	Q182 A183 S188 Q189 A190	Q182-Y186 WeakPolarHBondContact O-CD2 3.18Å; Q182-Y186 PolarHBondContact O-N 3.12Å; A183-Y186 PolarHBondContact O-N 3.17Å; Y186-S188 VanDerWaalsContact C-N 3.34Å; Y186-S188 PolarHBondContact O-N 2.86Å; Y186-Q189 PolarHBondContact O-N 2.9Å; Y186-A190 WeakPolarHBondContact O-CB 3.49Å; Y186-A190 PolarHBondContact O-N 3.04Å
187	L	85.9	Confident	77.2	Confident	117 Å²	117	102 Å²	102	61%	0.613	55%	0.554	S	S	*	*	H	α-helix	trans	-62.7	-37.1	175.4	-78.8	163.8	0	0	0	112.9	A183 T184 S191	A183-L187 WeakPolarHBondContact O-CB 3.27Å; A183-L187 WeakPolarHBondContact O-CG 3.18Å; A183-L187 PolarHBondContact O-N 3.4Å; T184-L187 PolarHBondContact O-N 3.25Å; L187-S191 WeakPolarHBondContact O-CB 3.39Å; L187-S191 PolarHBondContact O-N 2.85Å; L187-S191 VanDerWaalsContact O-N 3.07Å; L187-S191 PolarHBondContact O-OG 2.89Å
188	S	85.8	Confident	74.6	Confident	66 Å²	66	105 Å²	105	46%	0.462	57%	0.573	S	S	.	*	H	α-helix	trans	-69.6	-42	176.6	74.2	0	0	0	0	111.8	T184 Y185 Y186 S191 A192	T184-S188 PolarHBondContact O-N 3.33Å; Y185-S188 PolarHBondContact O-N 2.83Å; Y185-S188 PolarHBondContact O-OG 3.43Å; Y186-S188 VanDerWaalsContact C-N 3.34Å; Y186-S188 PolarHBondContact O-N 2.86Å; S188-S191 PolarHBondContact O-N 2.93Å; S188-A192 PolarHBondContact O-N 3.05Å
189	Q	82.2	Confident	72	Confident	73 Å²	73	110.9 Å²	110.9	34%	0.341	59%	0.591	S	S	.	*	H	α-helix	trans	-62.2	-43.3	173	-73.5	-157.2	33.4	0	0	113	Y185 Y186 S191 A192 K193	Y185-Q189 PolarHBondContact O-N 2.99Å; Y185-Q189 VanDerWaalsContact O-N 3.14Å; Y185-Q189 PolarHBondContact OH-NE2 3.21Å; Y185-Q189 VanDerWaalsContact OH-NE2 3.08Å; Y186-Q189 PolarHBondContact O-N 2.9Å; Q189-S191 VanDerWaalsContact C-N 3.26Å; Q189-S191 PolarHBondContact O-N 2.93Å; Q189-A192 PolarHBondContact O-N 3.47Å; Q189-K193 PolarHBondContact O-N 2.52Å; Q189-K193 VanDerWaalsContact O-N 3.1Å
190	A	73.2	Confident	69.7	Low	52 Å²	52	109.4 Å²	109.4	43%	0.43	59%	0.59	S	S	.	*	H	α-helix	trans	-64.3	-32.1	178.6	0	0	0	0	0	112.4	Y186	Y186-A190 WeakPolarHBondContact O-CB 3.49Å; Y186-A190 PolarHBondContact O-N 3.04Å
191	S	74.4	Confident	67.1	Low	82 Å²	82	110.5 Å²	110.5	57%	0.573	60%	0.6	S	S	*	*	H	α-helix	trans	-72.8	-43.8	174	-58.5	0	0	0	0	111.9	L187 S188 Q189 K193 K194	L187-S191 WeakPolarHBondContact O-CB 3.39Å; L187-S191 PolarHBondContact O-N 2.85Å; L187-S191 VanDerWaalsContact O-N 3.07Å; L187-S191 PolarHBondContact O-OG 2.89Å; S188-S191 PolarHBondContact O-N 2.93Å; Q189-S191 VanDerWaalsContact C-N 3.26Å; Q189-S191 PolarHBondContact O-N 2.93Å; S191-K193 VanDerWaalsContact C-N 3.33Å; S191-K193 PolarHBondContact O-N 2.92Å; S191-K194 PolarHBondContact O-N 2.89Å
192	A	67.8	Low	64.5	Low	65 Å²	65	112.2 Å²	112.2	54%	0.537	61%	0.608	S	S	.	*	H	α-helix	trans	-61.4	-38	178.5	0	0	0	0	0	112.9	S188 Q189 K194 S195	S188-A192 PolarHBondContact O-N 3.05Å; Q189-A192 PolarHBondContact O-N 3.47Å; A192-K194 PolarHBondContact O-N 3Å; A192-S195 PolarHBondContact O-N 3.49Å; A192-S195 PolarHBondContact O-OG 3.38Å; A192-S195 VanDerWaalsContact O-OG 3.04Å
193	K	59.5	Low	62.1	Low	153 Å²	153	112.1 Å²	112.1	67%	0.665	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-9	178.3	-72	-177.9	179.4	178.8	0	114.7	Q189 S191	Q189-K193 PolarHBondContact O-N 2.52Å; Q189-K193 VanDerWaalsContact O-N 3.1Å; S191-K193 VanDerWaalsContact C-N 3.33Å; S191-K193 PolarHBondContact O-N 2.92Å
194	K	56.5	Low	59.9	Low	174 Å²	174	117.2 Å²	117.2	76%	0.757	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-1.9	179.6	-73.3	-179.7	178.9	-179.7	0	114.4	S191 A192	S191-K194 PolarHBondContact O-N 2.89Å; A192-K194 PolarHBondContact O-N 3Å
195	S	50.1	Low	57.5	Low	98 Å²	98	120.6 Å²	120.6	69%	0.685	65%	0.649	S	S	*	*	S	Bend	trans	-98.4	2.8	-178.6	59.7	0	0	0	0	115.2	A192	A192-S195 PolarHBondContact O-N 3.49Å; A192-S195 PolarHBondContact O-OG 3.38Å; A192-S195 VanDerWaalsContact O-OG 3.04Å
196	S	48.2	Very low	55.1	Low	101 Å²	101	119 Å²	119	71%	0.706	66%	0.658	S	S	*	*	S	Bend	trans	-107.5	20	-178.3	67.7	0	0	0	0	114.6
197	T	43.5	Very low	53.3	Low	118 Å²	118	119.9 Å²	119.9	72%	0.724	67%	0.665	S	S	*	*			trans	-113.4	38.6	173.4	-2.8	0	0	0	0	112.6	Y199	T197-Y199 PolarHBondContact O-N 2.87Å
198	S	37.7	Very low	51.3	Low	102 Å²	102	121.4 Å²	121.4	71%	0.713	67%	0.668	S	S	*	*			trans	-74	69.6	153	61.7	0	0	0	0	108.8	V200	S198-V200 PolarHBondContact O-N 2.92Å
199	Y	38.7	Very low	49.4	Very low	210 Å²	210	124.6 Å²	124.6	82%	0.824	69%	0.685	S	S	*	*			trans	-69.8	117.9	167.6	-156.4	-92.5	0	0	0	107.4	T197 D201	T197-Y199 PolarHBondContact O-N 2.87Å; Y199-D201 PolarHBondContact O-N 3.31Å; Y199-D201 VanDerWaalsContact O-N 3.14Å
200	V	41.4	Very low	47.3	Very low	88 Å²	88	128 Å²	128	53%	0.533	71%	0.705	S	S	.	*			trans	-74.3	103.4	-173.6	174.8	0	0	0	0	108	S198 Q202	S198-V200 PolarHBondContact O-N 2.92Å; V200-Q202 HydrophobicContact CG1-CB 3.71Å; V200-Q202 VanDerWaalsContact CG1-CD 3.5Å; V200-Q202 HydrophobicContact CG1-CG 3.4Å; V200-Q202 PolarHBondContact O-N 3.26Å
201	D	37.3	Very low	46	Very low	144 Å²	144	131.3 Å²	131.3	77%	0.77	72%	0.72	S	S	*	*			trans	-74.4	62.2	166.5	-113.6	-23.3	0	0	0	110.1	Y199 T203	Y199-D201 PolarHBondContact O-N 3.31Å; Y199-D201 VanDerWaalsContact O-N 3.14Å; D201-T203 PolarHBondContact O-N 3.32Å
202	Q	37.1	Very low	44.5	Very low	172 Å²	172	133.1 Å²	133.1	80%	0.804	73%	0.728	S	S	*	*			trans	-90.3	66.6	161.5	-79.5	175.1	5.2	0	0	108.4	V200	V200-Q202 HydrophobicContact CG1-CB 3.71Å; V200-Q202 VanDerWaalsContact CG1-CD 3.5Å; V200-Q202 HydrophobicContact CG1-CG 3.4Å; V200-Q202 PolarHBondContact O-N 3.26Å
203	T	39.8	Very low	43.1	Very low	102 Å²	102	135.8 Å²	135.8	63%	0.626	74%	0.74	S	S	*	*			trans	-118.4	111	164.2	55.5	0	0	0	0	110.5	D201	D201-T203 PolarHBondContact O-N 3.32Å
204	L	40.3	Very low	42.2	Very low	158 Å²	158	135.1 Å²	135.1	83%	0.827	75%	0.748	S	S	*	*			trans	52.4	84.2	144.7	-63.6	157.1	0	0	0	117.4
205	N	38	Very low	41.3	Very low	165 Å²	165	133.1 Å²	133.1	88%	0.882	75%	0.75	S	S	*	*				-154.6	96.9	120.6	-117.3	-25.9	0	0	0	113.3	K207	N205-K207 PolarHBondContact O-N 3.3Å
206	S	37.5	Very low	40.9	Very low	104 Å²	104	134.9 Å²	134.9	73%	0.727	76%	0.757	S	S	*	*			trans	-76.8	104	165.5	51.1	0	0	0	0	110.1
207	K	45.3	Very low	40.8	Very low	174 Å²	174	135.9 Å²	135.9	76%	0.757	76%	0.759	S	S	*	*			trans	-174.6	135.3	140	-105.6	162.3	171.6	-103.9	0	114.1	N205	N205-K207 PolarHBondContact O-N 3.3Å
208	E	43.3	Very low	40.4	Very low	148 Å²	148	136.4 Å²	136.4	69%	0.692	76%	0.764	S	S	*	*			trans	79.2	121.8	140	-75.3	161.9	-142.9	0	0	121.4
209	V	46.6	Very low	40.6	Very low	134 Å²	134	139.7 Å²	139.7	81%	0.812	77%	0.768	S	S	*	*			trans	78.3	78	149.8	-170.3	0	0	0	0	118.7
210	N	36.8	Very low	40.5	Very low	143 Å²	143	139.4 Å²	139.4	77%	0.765	77%	0.772	S	S	*	*				-6.7	129.7	128.1	-171.3	19	0	0	0	117.4
211	V	45.3	Very low	40.6	Very low	123 Å²	123	144.5 Å²	144.5	75%	0.745	79%	0.786	S	S	*	*				-179.6	120.8	129.7	147.4	0	0	0	0	111.2
212	T	44.8	Very low	40.7	Very low	119 Å²	119	149.4 Å²	149.4	73%	0.73	79%	0.794	S	S	*	*			trans	16.2	135.4	162.7	6.4	0	0	0	0	123.3
213	P	36.8	Very low	41.1	Very low	122 Å²	122	147.1 Å²	147.1	79%	0.792	80%	0.797	S	S	*	*			trans	-88.7	146	172	36	-33.8	0	0	0	113.4
214	V	41.4	Very low	41.1	Very low	138 Å²	138	148.1 Å²	148.1	84%	0.836	81%	0.809	S	S	*	*			trans	-129.1	130	166.6	177.7	0	0	0	0	110.3
215	V	36.9	Very low	41	Very low	133 Å²	133	144.5 Å²	144.5	81%	0.806	81%	0.809	S	S	*	*			trans	-74.1	138.9	179.5	173.4	0	0	0	0	111.1
216	T	42.4	Very low	40.9	Very low	135 Å²	135	148 Å²	148	83%	0.828	81%	0.81	S	S	*	*			trans	-158.9	153.5	145.9	0.7	0	0	0	0	114.4
217	T	45.5	Very low	41.2	Very low	122 Å²	122	153.2 Å²	153.2	75%	0.748	82%	0.82	S	S	*	*			trans	-75.1	163.9	-166.2	40.7	0	0	0	0	116.8
218	P	35.2	Very low	40.7	Very low	128 Å²	128	150 Å²	150	83%	0.831	82%	0.819	S	S	*	*			trans	-79.5	144	-174.3	32.5	-36.7	0	0	0	114
219	Q	42.1	Very low	40.7	Very low	171 Å²	171	154.7 Å²	154.7	80%	0.799	83%	0.831	S	S	*	*			trans	-109.7	124.1	167	-80	-155.6	-10.6	0	0	113.1
220	K	36.1	Very low	40.2	Very low	205 Å²	205	157.2 Å²	157.2	89%	0.891	83%	0.831	S	S	*	*			trans	-63.5	133.6	154.9	-75.9	173.6	173.3	170.8	0	109.4
221	K	43.7	Very low	39.9	Very low	194 Å²	194	156.6 Å²	156.6	84%	0.843	83%	0.832	S	S	*	*			trans	-142.1	134.8	146.8	-109.6	172.2	-173.2	173.6	0	111.4
222	R	39.4	Very low	39.3	Very low	247 Å²	247	156.8 Å²	156.8	93%	0.932	83%	0.834	S	S	*	*			trans	-81.4	143.6	177	-57.1	153.5	88.9	178.8	7.6	108.1
223	S	45	Very low	38.7	Very low	125 Å²	125	157.7 Å²	157.7	87%	0.874	84%	0.839	S	S	*	*			trans	-145.5	142.8	145.9	63	0	0	0	0	110.4
224	S	41.2	Very low	38.9	Very low	123 Å²	123	160.6 Å²	160.6	86%	0.86	84%	0.839	S	S	*	*			trans	-97.2	136	-176.5	48.8	0	0	0	0	110.8
225	G	37	Very low	38.5	Very low	81 Å²	81	159.2 Å²	159.2	84%	0.835	83%	0.833	S	S	*	*			trans	-141	90.5	175.9	0	0	0	0	0	111.7
226	R	35.7	Very low	38.3	Very low	239 Å²	239	158.8 Å²	158.8	90%	0.902	83%	0.833	S	S	*	*			trans	-94.7	99.9	-175.9	-176.8	-167.8	-162.9	-175.4	6.6	110.3
227	F	45.2	Very low	38.3	Very low	213 Å²	213	159 Å²	159	93%	0.934	83%	0.834	S	S	*	*			trans	-140.1	123.9	163.4	-91.9	-73.8	0	0	0	112.9
228	S	35.1	Very low	37.9	Very low	107 Å²	107	162 Å²	162	75%	0.748	84%	0.836	S	S	*	*			trans	-83.4	139	175.2	53.3	0	0	0	0	111.9
229	R	43	Very low	37.8	Very low	246 Å²	246	161.5 Å²	161.5	93%	0.928	83%	0.834	S	S	*	*			trans	-160.5	111.1	149.6	-107.9	166.3	-147.2	-154	6.9	112.5
230	K	35.2	Very low	37.4	Very low	187 Å²	187	160 Å²	160	81%	0.813	83%	0.83	S	S	*	*			trans	27.6	140.5	143.8	-64.3	-175.8	175	-176.4	0	122
231	T	30.7	Very low	37.1	Very low	130 Å²	130	153 Å²	153	80%	0.798	81%	0.807	S	S	*	*			trans	65	127	149.8	47.2	0	0	0	0	117
232	T	33.2	Very low	36.6	Very low	128 Å²	128	152 Å²	152	79%	0.785	80%	0.803	S	S	*	*				-150.8	128.7	61.2	-62.2	0	0	0	0	112
233	V	32.6	Very low	36.5	Very low	137 Å²	137	147.1 Å²	147.1	83%	0.83	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-76.3	121.3	168.2	176.4	0	0	0	0	108
234	K	40.8	Very low	36.1	Very low	184 Å²	184	145.8 Å²	145.8	80%	0.8	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-68.5	135.1	170.3	-75.8	-175.6	175.4	-178.2	0	109
235	P	32.3	Very low	35.6	Very low	108 Å²	108	146.4 Å²	146.4	70%	0.701	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-65.8	159	174	30.2	-35.2	0	0	0	110.5	V237	P235-V237 PolarHBondContact O-N 2.91Å
236	P	33.9	Very low	35.4	Very low	125 Å²	125	147.7 Å²	147.7	81%	0.812	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-59.7	134.6	173.2	26.5	-34	0	0	0	109.8	K238	P236-K238 PolarHBondContact O-N 3.34Å
237	V	42.1	Very low	35.1	Very low	140 Å²	140	144.2 Å²	144.2	85%	0.848	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-60.5	127.5	176.5	-179	0	0	0	0	108	P235	P235-V237 PolarHBondContact O-N 2.91Å
238	K	36.8	Very low	34.5	Very low	183 Å²	183	137.7 Å²	137.7	80%	0.796	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-53.5	139.6	173	-97.2	-176.1	172.4	-176.2	0	109.2	P236 L240	P236-K238 PolarHBondContact O-N 3.34Å; K238-L240 PolarHBondContact O-N 2.86Å
239	P	33.2	Very low	34.2	Very low	119 Å²	119	136.8 Å²	136.8	77%	0.773	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-57.5	132.5	165.4	27	-33.1	0	0	0	108.4	S241	P239-S241 PolarHBondContact O-N 3.49Å
240	L	33	Very low	33.5	Very low	140 Å²	140	132.1 Å²	132.1	73%	0.733	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-57.7	134.1	177	-76.7	158.7	0	0	0	109.6	K238 D244	K238-L240 PolarHBondContact O-N 2.86Å; L240-D244 HydrophobicContact CD2-CB 3.91Å
241	S	29.9	Very low	33.3	Very low	56 Å²	56	127.6 Å²	127.6	39%	0.392	71%	0.713	S	S	.	*	P	Polyproline II helix	trans	-65.8	152.6	172.1	-22.6	0	0	0	0	108.5	P239 E243 D244	P239-S241 PolarHBondContact O-N 3.49Å; S241-E243 VanDerWaalsContact CB-OE2 3.27Å; S241-E243 WeakPolarHBondContact CB-OE2 3.19Å; S241-E243 PolarHBondContact O-N 2.87Å; S241-D244 WeakPolarHBondContact CB-OD2 3.44Å; S241-D244 PolarHBondContact N-OD2 3.11Å; S241-D244 PolarHBondContact O-N 3.03Å; S241-D244 PolarHBondContact OG-OD2 2.98Å
242	F	33.1	Very low	33.2	Very low	174 Å²	174	129.9 Å²	129.9	76%	0.763	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-62.7	-25.1	174.8	-173.2	-101	0	0	0	111.3
243	E	37.8	Very low	33	Very low	145 Å²	145	127.7 Å²	127.7	68%	0.678	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-73.4	-14.5	175.4	-61.3	77.3	-170.5	0	0	114.7	S241 F245	S241-E243 VanDerWaalsContact CB-OE2 3.27Å; S241-E243 WeakPolarHBondContact CB-OE2 3.19Å; S241-E243 PolarHBondContact O-N 2.87Å; E243-F245 VanDerWaalsContact C-N 3.26Å; E243-F245 PolarHBondContact O-N 2.94Å
244	D	35.9	Very low	32.9	Very low	97 Å²	97	127 Å²	127	52%	0.519	71%	0.709	S	S	.	*	G	3₁₀ helix	trans	-82.7	2	-177.9	-68.7	-53.9	0	0	0	113.4	L240 S241	L240-D244 HydrophobicContact CD2-CB 3.91Å; S241-D244 WeakPolarHBondContact CB-OD2 3.44Å; S241-D244 PolarHBondContact N-OD2 3.11Å; S241-D244 PolarHBondContact O-N 3.03Å; S241-D244 PolarHBondContact OG-OD2 2.98Å
245	F	31.3	Very low	32.3	Very low	135 Å²	135	126.9 Å²	126.9	59%	0.592	70%	0.704	S	S	*	*	S	Bend	trans	-78.4	132.7	175	-84.4	-88	0	0	0	111.6	E243 H247	E243-F245 VanDerWaalsContact C-N 3.26Å; E243-F245 PolarHBondContact O-N 2.94Å; F245-H247 PolarHBondContact O-N 3.21Å
246	P	32.4	Very low	32.1	Very low	109 Å²	109	128.2 Å²	128.2	71%	0.708	71%	0.71	S	S	*	*			trans	-68.3	105.8	-179.1	26.9	-33.9	0	0	0	111.1	S248	P246-S248 PolarHBondContact O-N 3.08Å
247	H	30.3	Very low	31.8	Very low	166 Å²	166	130.1 Å²	130.1	77%	0.769	71%	0.705	S	S	*	*			trans	-70.9	72.1	168.5	-64.6	-54.8	0	0	0	110.9	F245 A249	F245-H247 PolarHBondContact O-N 3.21Å; H247-A249 VanDerWaalsContact C-N 3.3Å; H247-A249 PolarHBondContact O-N 3.45Å
248	S	32.1	Very low	31.2	Very low	75 Å²	75	127.7 Å²	127.7	52%	0.524	69%	0.688	S	S	.	*			trans	-72.7	86.8	168.6	55.5	0	0	0	0	110.6	P246 N250 R255	P246-S248 PolarHBondContact O-N 3.08Å; S248-N250 PolarHBondContact O-N 2.99Å; S248-N250 VanDerWaalsContact O-N 3.11Å; S248-R255 PolarHBondContact OG-NH2 3.18Å
249	A	28.8	Very low	31	Very low	88 Å²	88	126.4 Å²	126.4	73%	0.727	68%	0.682	S	S	*	*			trans	-67	99.1	158.3	0	0	0	0	0	108.4	H247	H247-A249 VanDerWaalsContact C-N 3.3Å; H247-A249 PolarHBondContact O-N 3.45Å
250	N	28.6	Very low	30.9	Very low	149 Å²	149	127.2 Å²	127.2	80%	0.797	68%	0.68	S	S	*	*			trans	160.7	157	147.7	-80.8	-20.1	0	0	0	112.5	S248	S248-N250 PolarHBondContact O-N 2.99Å; S248-N250 VanDerWaalsContact O-N 3.11Å
251	S	31	Very low	30.9	Very low	91 Å²	91	127.1 Å²	127.1	64%	0.636	68%	0.68	S	S	*	*			trans	66.2	90.3	166.6	60.3	0	0	0	0	119.5	S253	S251-S253 PolarHBondContact O-N 2.94Å; S251-S253 PolarHBondContact O-OG 3.47Å
252	D	28.1	Very low	30.8	Very low	178 Å²	178	127.2 Å²	127.2	95%	0.952	69%	0.685	S	S	*	*				33.1	59.6	112.5	-54.7	-32.9	0	0	0	118.1
253	S	29.2	Very low	30.6	Very low	83 Å²	83	125.6 Å²	125.6	58%	0.58	68%	0.684	S	S	*	*			trans	-144.7	135.7	162.9	50.2	0	0	0	0	110.3	S251 R255	S251-S253 PolarHBondContact O-N 2.94Å; S251-S253 PolarHBondContact O-OG 3.47Å; S253-R255 PolarHBondContact O-N 3.41Å
254	P	30	Very low	30.3	Very low	123 Å²	123	122.4 Å²	122.4	80%	0.799	68%	0.677	S	S	*	*			trans	-67.8	108.2	176.1	27.3	-32.3	0	0	0	109	V256	P254-V256 PolarHBondContact O-N 2.75Å
255	R	28.3	Very low	30.1	Very low	180 Å²	180	127 Å²	127	68%	0.679	70%	0.695	S	S	*	*			trans	-68.9	97.5	176.1	-67.3	-174	-176.6	-165.6	0.6	109.3	S248 S253 F257	S248-R255 PolarHBondContact OG-NH2 3.18Å; S253-R255 PolarHBondContact O-N 3.41Å; R255-F257 PolarHBondContact O-N 3.45Å
256	V	29.1	Very low	30.1	Very low	136 Å²	136	123.9 Å²	123.9	82%	0.824	70%	0.695	S	S	*	*			trans	-63	106.2	172	-179.6	0	0	0	0	108.9	P254 N258	P254-V256 PolarHBondContact O-N 2.75Å; V256-N258 PolarHBondContact O-N 2.85Å
257	F	27.6	Very low	30	Very low	165 Å²	165	126.5 Å²	126.5	72%	0.724	70%	0.695	S	S	*	*			trans	-81.7	108.1	172	-102.7	-91.7	0	0	0	109.6	R255 F259	R255-F257 PolarHBondContact O-N 3.45Å; F257-F259 HydrophobicContact CB-CE2 4.29Å; F257-F259 PolarHBondContact O-N 3.32Å
258	N	28.8	Very low	29.8	Very low	89 Å²	89	122.1 Å²	122.1	48%	0.476	70%	0.695	S	S	.	*			trans	-78.9	100.4	173.5	-169.4	25.4	0	0	0	109.7	V256 N260 D261	V256-N258 PolarHBondContact O-N 2.85Å; N258-N260 PolarHBondContact O-N 3.33Å; N258-N260 VanDerWaalsContact O-N 3.11Å; N258-N260 PolarHBondContact OD1-ND2 3.32Å; N258-D261 PolarHBondContact ND2-OD2 2.87Å
259	F	32.3	Very low	29.6	Very low	156 Å²	156	125.6 Å²	125.6	68%	0.684	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-67.3	-5.3	180	-82.9	-88	0	0	0	114.6	F257	F257-F259 HydrophobicContact CB-CE2 4.29Å; F257-F259 PolarHBondContact O-N 3.32Å
260	N	32.2	Very low	29.6	Very low	137 Å²	137	126.4 Å²	126.4	73%	0.733	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-83.4	-11.8	-174.6	-62.9	-60	0	0	0	115	N258	N258-N260 PolarHBondContact O-N 3.33Å; N258-N260 VanDerWaalsContact O-N 3.11Å; N258-N260 PolarHBondContact OD1-ND2 3.32Å
261	D	31.1	Very low	29.6	Very low	137 Å²	137	124.3 Å²	124.3	73%	0.733	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-113.7	13.4	-175.4	-66.4	-56.1	0	0	0	113.6	N258	N258-D261 PolarHBondContact ND2-OD2 2.87Å
262	A	28.8	Very low	29.6	Very low	58 Å²	58	125 Å²	125	48%	0.479	69%	0.692	S	S	.	*	S	Bend	trans	-99.4	134.5	-180	0	0	0	0	0	112	C264	A262-C264 PolarHBondContact O-N 3.48Å
263	D	29.5	Very low	29.6	Very low	140 Å²	140	122.7 Å²	122.7	75%	0.749	68%	0.679	S	S	*	*			trans	-67.3	46.7	176.8	-69	-57.1	0	0	0	113.9	E265 A266	D263-E265 PolarHBondContact O-N 2.77Å; D263-A266 HydrophobicContact CB-CB 4.26Å; D263-A266 WeakPolarHBondContact O-CB 3.37Å; D263-A266 PolarHBondContact O-N 3.33Å; D263-A266 VanDerWaalsContact O-N 3.08Å
264	C	31.3	Very low	29.5	Very low	79 Å²	79	127.4 Å²	127.4	53%	0.534	69%	0.685	S	S	.	*	G	3₁₀ helix	trans	-64.8	-24.5	-176.9	-66.1	0	0	0	0	113.2	A262 A266	A262-C264 PolarHBondContact O-N 3.48Å; C264-A266 VanDerWaalsContact C-N 3.27Å; C264-A266 PolarHBondContact O-N 2.83Å
265	E	32.1	Very low	29.4	Very low	193 Å²	193	127.7 Å²	127.7	90%	0.902	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-69.3	-22.5	174.1	-63.3	-169.1	161	0	0	113.1	D263 F267	D263-E265 PolarHBondContact O-N 2.77Å; E265-F267 PolarHBondContact O-N 2.91Å
266	A	30.8	Very low	29.5	Very low	70 Å²	70	125.2 Å²	125.2	58%	0.579	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-70.9	-11.7	-175.6	0	0	0	0	0	114.5	D263 C264	D263-A266 HydrophobicContact CB-CB 4.26Å; D263-A266 WeakPolarHBondContact O-CB 3.37Å; D263-A266 PolarHBondContact O-N 3.33Å; D263-A266 VanDerWaalsContact O-N 3.08Å; C264-A266 VanDerWaalsContact C-N 3.27Å; C264-A266 PolarHBondContact O-N 2.83Å
267	F	29.5	Very low	29.5	Very low	164 Å²	164	122.7 Å²	122.7	72%	0.719	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-125.8	6.4	-172.7	-71.6	-80	0	0	0	115.3	E265 Y269	E265-F267 PolarHBondContact O-N 2.91Å; F267-Y269 VanDerWaalsContact C-N 3.31Å; F267-Y269 HydrophobicContact CB-CD2 3.78Å; F267-Y269 HydrophobicContact CB-CE2 4.01Å; F267-Y269 VanDerWaalsContact O-CD2 3.27Å; F267-Y269 WeakPolarHBondContact O-CD2 3.5Å; F267-Y269 PolarHBondContact O-N 2.84Å
268	G	26.8	Very low	29.8	Very low	74 Å²	74	121.6 Å²	121.6	76%	0.763	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.2	22	171.6	0	0	0	0	0	115.7
269	Y	28	Very low	30	Very low	148 Å²	148	122.7 Å²	122.7	58%	0.58	69%	0.689	S	S	*	*			trans	-95.7	103	175.8	-70	-81.2	0	0	0	111	F267 P271	F267-Y269 VanDerWaalsContact C-N 3.31Å; F267-Y269 HydrophobicContact CB-CD2 3.78Å; F267-Y269 HydrophobicContact CB-CE2 4.01Å; F267-Y269 VanDerWaalsContact O-CD2 3.27Å; F267-Y269 WeakPolarHBondContact O-CD2 3.5Å; F267-Y269 PolarHBondContact O-N 2.84Å; Y269-P271 WeakPolarHBondContact O-CD 3.4Å
270	S	27.7	Very low	30.1	Very low	105 Å²	105	123.5 Å²	123.5	73%	0.734	70%	0.701	S	S	*	*			trans	-91.1	114.6	161.8	-177.3	0	0	0	0	109.5	T272	S270-T272 PolarHBondContact O-N 2.8Å
271	P	30.5	Very low	30.2	Very low	104 Å²	104	120.9 Å²	120.9	68%	0.675	69%	0.687	S	S	*	*			trans	-73.8	109.5	177.6	28.7	-32.3	0	0	0	110.5	Y269 I273	Y269-P271 WeakPolarHBondContact O-CD 3.4Å; P271-I273 PolarHBondContact O-N 3.43Å; P271-I273 VanDerWaalsContact O-N 3.11Å
272	T	30.2	Very low	30.4	Very low	105 Å²	105	119.7 Å²	119.7	64%	0.644	69%	0.686	S	S	*	*			trans	-69.6	106.4	172.6	-40.7	0	0	0	0	110.3	S270 Y274	S270-T272 PolarHBondContact O-N 2.8Å; T272-Y274 HydrophobicContact CG2-CD2 4.31Å; T272-Y274 HydrophobicContact CG2-CE1 4.47Å; T272-Y274 HydrophobicContact CG2-CE2 3.67Å
273	I	28.5	Very low	30.8	Very low	131 Å²	131	121.2 Å²	121.2	67%	0.672	69%	0.693	S	S	*	*			trans	-87.8	118	175.3	-57.3	174.9	0	0	0	108.9	P271	P271-I273 PolarHBondContact O-N 3.43Å; P271-I273 VanDerWaalsContact O-N 3.11Å
274	Y	27.2	Very low	31.1	Very low	182 Å²	182	118.3 Å²	118.3	71%	0.714	68%	0.678	S	S	*	*			trans	-98.1	131.4	169.3	-65.2	-88.2	0	0	0	109.6	T272 V276	T272-Y274 HydrophobicContact CG2-CD2 4.31Å; T272-Y274 HydrophobicContact CG2-CE1 4.47Å; T272-Y274 HydrophobicContact CG2-CE2 3.67Å; Y274-V276 PolarHBondContact O-N 2.68Å
275	P	28.1	Very low	31.1	Very low	128 Å²	128	119 Å²	119	83%	0.831	68%	0.675	S	S	*	*			trans	-69.6	115.9	170.6	28.3	-32.1	0	0	0	109.7	A277	P275-A277 PolarHBondContact O-N 2.85Å
276	V	30	Very low	31.2	Very low	129 Å²	129	119.5 Å²	119.5	78%	0.782	67%	0.674	S	S	*	*			trans	-84.3	108.7	168.3	-177.7	0	0	0	0	107.4	Y274	Y274-V276 PolarHBondContact O-N 2.68Å
277	A	27.7	Very low	31.3	Very low	83 Å²	83	124.9 Å²	124.9	69%	0.686	68%	0.684	S	S	*	*			trans	-76.3	132.5	171.5	0	0	0	0	0	110	P275 Q279	P275-A277 PolarHBondContact O-N 2.85Å; A277-Q279 PolarHBondContact O-N 2.9Å; A277-Q279 VanDerWaalsContact O-N 3.08Å
278	N	33.9	Very low	31.3	Very low	142 Å²	142	125.7 Å²	125.7	76%	0.759	68%	0.683	S	S	*	*			trans	-62.2	109.4	177.5	-77.4	-12.4	0	0	0	110.8	N280	N278-N280 PolarHBondContact O-N 3.45Å
279	Q	33	Very low	31.4	Very low	112 Å²	112	129.1 Å²	129.1	52%	0.523	68%	0.683	S	S	.	*			trans	-89.5	99.5	172	-75.7	-172.6	-16.8	0	0	110.7	A277 D281	A277-Q279 PolarHBondContact O-N 2.9Å; A277-Q279 VanDerWaalsContact O-N 3.08Å; Q279-D281 VanDerWaalsContact C-N 3.32Å
280	N	34.5	Very low	31.3	Very low	172 Å²	172	133.1 Å²	133.1	92%	0.92	70%	0.697	S	S	*	*			trans	-100.1	27.7	153.4	-88.1	-11.9	0	0	0	111	N278	N278-N280 PolarHBondContact O-N 3.45Å
281	D	34.6	Very low	31.3	Very low	82 Å²	82	133 Å²	133	44%	0.439	70%	0.697	S	S	.	*			trans	-116.9	103.7	178.8	-169.5	-17.7	0	0	0	110.4	Q279 S283	Q279-D281 VanDerWaalsContact C-N 3.32Å; D281-S283 PolarHBondContact O-N 2.95Å; D281-S283 VanDerWaalsContact OD1-CB 3.26Å; D281-S283 WeakPolarHBondContact OD1-CB 3.27Å; D281-S283 PolarHBondContact OD1-N 2.71Å; D281-S283 PolarHBondContact OD1-OG 3.28Å; D281-S283 PolarHBondContact OD2-OG 3.28Å
282	P	35.7	Very low	31.2	Very low	112 Å²	112	135.6 Å²	135.6	73%	0.727	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-68.9	-12.9	-178.9	28	-33.5	0	0	0	113.6	N284	P282-N284 VanDerWaalsContact C-N 3.25Å; P282-N284 PolarHBondContact O-N 2.94Å
283	S	37.6	Very low	30.9	Very low	90 Å²	90	134.4 Å²	134.4	63%	0.629	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-69.6	-19.7	179.7	71.7	0	0	0	0	113.8	D281	D281-S283 PolarHBondContact O-N 2.95Å; D281-S283 VanDerWaalsContact OD1-CB 3.26Å; D281-S283 WeakPolarHBondContact OD1-CB 3.27Å; D281-S283 PolarHBondContact OD1-N 2.71Å; D281-S283 PolarHBondContact OD1-OG 3.28Å; D281-S283 PolarHBondContact OD2-OG 3.28Å
284	N	36.3	Very low	31	Very low	79 Å²	79	134.2 Å²	134.2	42%	0.422	71%	0.707	S	S	.	*	G	3₁₀ helix	trans	-95.1	8.6	-170.2	-135.2	-29.7	0	0	0	114.4	P282 K286	P282-N284 VanDerWaalsContact C-N 3.25Å; P282-N284 PolarHBondContact O-N 2.94Å; N284-K286 VanDerWaalsContact C-N 3.31Å; N284-K286 PolarHBondContact O-N 3.4Å
285	M	31.4	Very low	31	Very low	95 Å²	95	130.6 Å²	130.6	47%	0.468	71%	0.705	S	S	.	*	G	3₁₀ helix	trans	-76.3	-5	-176.1	-77.5	-98.6	179.7	0	0	115.3	F287 R288	M285-F287 PolarHBondContact O-N 3.14Å; M285-R288 PolarHBondContact SD-NH2 3.4Å; M285-R288 VanDerWaalsContact SD-NH2 3.42Å
286	K	34.2	Very low	30.9	Very low	203 Å²	203	130 Å²	130	88%	0.883	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-74.5	-4.4	176.3	-79.3	-175.1	177.8	175.3	0	114.6	N284	N284-K286 VanDerWaalsContact C-N 3.31Å; N284-K286 PolarHBondContact O-N 3.4Å
287	F	31.7	Very low	30.7	Very low	183 Å²	183	131.3 Å²	131.3	80%	0.803	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-106.1	36.7	173.3	-64.9	-73.3	0	0	0	114	M285 N289	M285-F287 PolarHBondContact O-N 3.14Å; F287-N289 PolarHBondContact O-N 2.84Å
288	R	29.6	Very low	30.7	Very low	181 Å²	181	135.6 Å²	135.6	68%	0.683	71%	0.708	S	S	*	*			trans	-66.2	121.7	170.2	-83.1	-177.5	174.2	-170.1	-0.6	112.1	M285	M285-R288 PolarHBondContact SD-NH2 3.4Å; M285-R288 VanDerWaalsContact SD-NH2 3.42Å
289	N	29.2	Very low	30.3	Very low	145 Å²	145	138.8 Å²	138.8	78%	0.775	72%	0.716	S	S	*	*			trans	49.5	69.1	144.5	-59	-27.2	0	0	0	117.5	F287	F287-N289 PolarHBondContact O-N 2.84Å
290	R	26.1	Very low	30	Very low	232 Å²	232	139.6 Å²	139.6	88%	0.875	73%	0.728	S	S	*	*			trans	-92.9	78.5	143	-71.5	-165.2	-176	-152.9	2.2	109.6	L292	R290-L292 VanDerWaalsContact C-N 3.31Å; R290-L292 PolarHBondContact O-N 3.18Å
291	S	27.4	Very low	29.9	Very low	104 Å²	104	136.9 Å²	136.9	73%	0.727	72%	0.718	S	S	*	*			trans	-58.4	101.1	155.5	54.3	0	0	0	0	107.3	S293	S291-S293 PolarHBondContact O-N 3.29Å
292	L	27.4	Very low	29.7	Very low	157 Å²	157	138.8 Å²	138.8	82%	0.822	74%	0.735	S	S	*	*			trans	-69.9	83	173.2	-72.1	173.5	0	0	0	108.2	R290	R290-L292 VanDerWaalsContact C-N 3.31Å; R290-L292 PolarHBondContact O-N 3.18Å
293	S	25.9	Very low	29.4	Very low	81 Å²	81	140.9 Å²	140.9	57%	0.566	74%	0.74	S	S	*	*			trans	-53.1	132.1	156.4	52.6	0	0	0	0	107.3	S291 T295	S291-S293 PolarHBondContact O-N 3.29Å; S293-T295 VanDerWaalsContact C-N 3.25Å; S293-T295 PolarHBondContact O-N 2.84Å
294	P	29.2	Very low	29	Very low	126 Å²	126	142.6 Å²	142.6	82%	0.818	75%	0.746	S	S	*	*			trans	-68.4	93.7	171.5	27.3	-31.9	0	0	0	107.2	P296	P294-P296 WeakPolarHBondContact O-CD 3.38Å
295	T	28.1	Very low	28.6	Very low	107 Å²	107	149.9 Å²	149.9	66%	0.656	77%	0.77	S	S	*	*			trans	-56.6	124.3	167.1	-49.3	0	0	0	0	106.7	S293 L297	S293-T295 VanDerWaalsContact C-N 3.25Å; S293-T295 PolarHBondContact O-N 2.84Å; T295-L297 PolarHBondContact O-N 3.22Å
296	P	25.2	Very low	28.5	Very low	114 Å²	114	156.1 Å²	156.1	74%	0.74	79%	0.788	S	S	*	*			trans	-65.7	102.9	173	27.3	-31.8	0	0	0	107	P294 Q298	P294-P296 WeakPolarHBondContact O-CD 3.38Å; P296-Q298 VanDerWaalsContact C-N 3.33Å; P296-Q298 PolarHBondContact O-N 2.74Å
297	L	26.8	Very low	28.4	Very low	157 Å²	157	151.8 Å²	151.8	82%	0.822	78%	0.783	S	S	*	*			trans	-62.3	102	167.8	-78.8	170.2	0	0	0	106.7	T295 F299	T295-L297 PolarHBondContact O-N 3.22Å; L297-F299 PolarHBondContact O-N 3.42Å
298	Q	27.3	Very low	28.5	Very low	173 Å²	173	152 Å²	152	81%	0.808	78%	0.784	S	S	*	*			trans	-53.8	127	164.5	-72.8	178.6	-38.4	0	0	107.2	P296 T300	P296-Q298 VanDerWaalsContact C-N 3.33Å; P296-Q298 PolarHBondContact O-N 2.74Å; Q298-T300 VanDerWaalsContact C-N 3.33Å; Q298-T300 PolarHBondContact O-N 3.32Å
299	F	25.9	Very low	28.7	Very low	210 Å²	210	148.7 Å²	148.7	92%	0.921	79%	0.786	S	S	*	*			trans	-65.7	93.7	176	-84.7	-98.5	0	0	0	109.2	L297 T301	L297-F299 PolarHBondContact O-N 3.42Å; F299-T301 PolarHBondContact O-N 3.41Å
300	T	26.6	Very low	29.1	Very low	128 Å²	128	149.5 Å²	149.5	79%	0.785	79%	0.79	S	S	*	*			trans	-72.4	116.2	155.1	47.5	0	0	0	0	107.3	Q298	Q298-T300 VanDerWaalsContact C-N 3.33Å; Q298-T300 PolarHBondContact O-N 3.32Å
301	T	31.1	Very low	29.6	Very low	116 Å²	116	147.9 Å²	147.9	71%	0.712	79%	0.79	S	S	*	*			trans	-53.2	141.2	171.7	40.9	0	0	0	0	110.3	F299 D303	F299-T301 PolarHBondContact O-N 3.41Å; T301-D303 PolarHBondContact O-N 2.96Å
302	P	31.5	Very low	29.8	Very low	122 Å²	122	149.6 Å²	149.6	79%	0.792	80%	0.796	S	S	*	*			trans	-65.8	113.6	175.2	27.6	-32.8	0	0	0	109.1	V304	P302-V304 PolarHBondContact O-N 3.43Å
303	D	29.8	Very low	30.1	Very low	155 Å²	155	147.8 Å²	147.8	83%	0.829	80%	0.797	S	S	*	*			trans	-56.9	130.3	172	-99.3	-43.8	0	0	0	109.8	T301 Y305	T301-D303 PolarHBondContact O-N 2.96Å; D303-Y305 PolarHBondContact O-N 3.14Å; D303-Y305 VanDerWaalsContact O-N 3.08Å
304	V	29.3	Very low	30.5	Very low	126 Å²	126	154.5 Å²	154.5	76%	0.764	81%	0.809	S	S	*	*			trans	-63.8	114.2	179.6	174.8	0	0	0	0	108.4	P302 R306	P302-V304 PolarHBondContact O-N 3.43Å; V304-R306 VanDerWaalsContact C-N 3.32Å; V304-R306 PolarHBondContact O-N 2.86Å
305	Y	26.8	Very low	30.7	Very low	233 Å²	233	159.4 Å²	159.4	91%	0.914	81%	0.813	S	S	*	*			trans	-58.4	92.3	173.4	-122.9	-96.5	0	0	0	109.8	D303 S307	D303-Y305 PolarHBondContact O-N 3.14Å; D303-Y305 VanDerWaalsContact O-N 3.08Å; Y305-S307 PolarHBondContact O-N 2.62Å
306	R	30.3	Very low	31.1	Very low	225 Å²	225	160 Å²	160	85%	0.849	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-73.4	124.8	165.6	-78.2	-169	175.7	-157	0.6	108.1	V304 K308	V304-R306 VanDerWaalsContact C-N 3.32Å; V304-R306 PolarHBondContact O-N 2.86Å; R306-K308 PolarHBondContact O-N 3.02Å
307	S	30.8	Very low	31.6	Very low	113 Å²	113	158.2 Å²	158.2	79%	0.79	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-51.5	127.9	167.1	37.7	0	0	0	0	110.1	Y305	Y305-S307 PolarHBondContact O-N 2.62Å
308	K	34.6	Very low	32.1	Very low	188 Å²	188	159.4 Å²	159.4	82%	0.817	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-60.9	137.3	172.5	-68.9	-180	177.6	178.6	0	109	R306 N310	R306-K308 PolarHBondContact O-N 3.02Å; K308-N310 PolarHBondContact O-N 3.22Å
309	P	34.6	Very low	32.5	Very low	111 Å²	111	158.3 Å²	158.3	72%	0.721	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-67.2	127.8	165.5	29	-31.8	0	0	0	108.5	F311	P309-F311 PolarHBondContact O-N 2.67Å
310	N	36.8	Very low	33.2	Very low	161 Å²	161	155.4 Å²	155.4	86%	0.861	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-65.9	121.7	172.3	-81.3	-20.2	0	0	0	109	K308 T312	K308-N310 PolarHBondContact O-N 3.22Å; N310-T312 PolarHBondContact O-N 3.48Å
311	F	36.2	Very low	33.7	Very low	199 Å²	199	158.2 Å²	158.2	87%	0.873	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-64.4	128	169	-99.6	-99	0	0	0	109.5	P309 S313	P309-F311 PolarHBondContact O-N 2.67Å; F311-S313 PolarHBondContact O-N 3.39Å; F311-S313 VanDerWaalsContact O-N 3.17Å
312	T	31.1	Very low	33.9	Very low	140 Å²	140	156.2 Å²	156.2	86%	0.859	82%	0.816	S	S	*	*			trans	-68.5	105.7	172.3	34	0	0	0	0	110.1	N310	N310-T312 PolarHBondContact O-N 3.48Å
313	S	34.4	Very low	34.1	Very low	119 Å²	119	155.7 Å²	155.7	83%	0.832	81%	0.814	S	S	*	*			trans	-91	141.3	161.5	-168.4	0	0	0	0	109.9	F311	F311-S313 PolarHBondContact O-N 3.39Å; F311-S313 VanDerWaalsContact O-N 3.17Å
314	R	33.2	Very low	34.4	Very low	221 Å²	221	156.7 Å²	156.7	83%	0.834	81%	0.814	S	S	*	*			trans	-72.4	145.1	-174.5	-55.1	167.9	-176.8	-172.8	-1.7	110.4
315	Y	35.4	Very low	34.8	Very low	229 Å²	229	161 Å²	161	90%	0.898	82%	0.823	S	S	*	*				-174.4	147.4	114.7	-97.7	-73.6	0	0	0	109.5
316	P	35.1	Very low	35.1	Very low	119 Å²	119	157.3 Å²	157.3	77%	0.773	82%	0.819	S	S	*	*			trans	-107.7	164.8	-171.6	39.5	-30.2	0	0	0	114.3
317	G	36.4	Very low	35.3	Very low	78 Å²	78	149.5 Å²	149.5	80%	0.804	81%	0.809	S	S	*	*			trans	92.8	140.4	179.6	0	0	0	0	0	112.2
318	H	38	Very low	35.4	Very low	181 Å²	181	149.9 Å²	149.9	84%	0.838	81%	0.806	S	S	*	*			cis	-140.7	155.3	13.9	-154.5	-83.2	0	0	0	110.6
319	E	35	Very low	35.2	Very low	151 Å²	151	148.5 Å²	148.5	71%	0.706	81%	0.807	S	S	*	*			trans	-70	145.3	171	-53.2	-178.1	170.4	0	0	110.1
320	D	40.2	Very low	34.9	Very low	149 Å²	149	147.7 Å²	147.7	80%	0.797	80%	0.804	S	S	*	*				-163.6	165.8	114.6	-121.2	-41.1	0	0	0	115.3
321	K	36.7	Very low	34.6	Very low	187 Å²	187	149.7 Å²	149.7	81%	0.813	80%	0.801	S	S	*	*			trans	-99.9	156.5	-164.4	-57.4	164.9	-174.4	165.9	0	113.2
322	G	35	Very low	34.1	Very low	74 Å²	74	147.2 Å²	147.2	76%	0.763	80%	0.803	S	S	*	*			trans	173.1	111.7	162.3	0	0	0	0	0	117.4
323	S	36.9	Very low	33.9	Very low	110 Å²	110	151 Å²	151	77%	0.769	80%	0.801	S	S	*	*			trans	34.9	109.4	154.6	-143.7	0	0	0	0	118.8
324	Q	36.5	Very low	33.5	Very low	176 Å²	176	150.5 Å²	150.5	82%	0.822	80%	0.795	S	S	*	*				58.7	95.9	62.2	-159.9	177.8	30.2	0	0	114
325	F	36.2	Very low	33.2	Very low	217 Å²	217	148.2 Å²	148.2	95%	0.952	80%	0.798	S	S	*	*			trans	-151.5	121.3	137.8	-129.9	-86.8	0	0	0	107.9
326	D	34.2	Very low	33	Very low	155 Å²	155	142.4 Å²	142.4	83%	0.829	79%	0.791	S	S	*	*			trans	-115.9	144.9	-177	-163.9	-3.4	0	0	0	108.9
327	G	34.5	Very low	32.7	Very low	62 Å²	62	146.6 Å²	146.6	64%	0.639	80%	0.797	S	S	*	*			trans	174.8	39.3	-161.5	0	0	0	0	0	117.7
328	T	31.4	Very low	32.3	Very low	120 Å²	120	147.7 Å²	147.7	74%	0.736	79%	0.792	S	S	*	*			trans	41.9	108.9	147.5	58.1	0	0	0	0	119.6
329	L	32	Very low	31.9	Very low	160 Å²	160	147.5 Å²	147.5	84%	0.838	79%	0.792	S	S	*	*				-178.8	105.4	106.9	-95.5	164.6	0	0	0	112.9
330	S	27.1	Very low	31.7	Very low	94 Å²	94	145.5 Å²	145.5	66%	0.657	79%	0.792	S	S	*	*			trans	23.5	109.1	134.1	-46.7	0	0	0	0	119.5
331	Y	30.9	Very low	31.1	Very low	202 Å²	202	147 Å²	147	79%	0.792	79%	0.794	S	S	*	*				172.9	81.7	109.7	-99.4	-70.5	0	0	0	112.4	R333	Y331-R333 HydrophobicContact CD1-CG 4.37Å; Y331-R333 PolarHBondContact O-N 2.93Å
332	T	24.9	Very low	30.6	Very low	147 Å²	147	145.2 Å²	145.2	90%	0.902	79%	0.793	S	S	*	*			trans	-68.6	102.4	151.9	38.5	0	0	0	0	108.5
333	R	28.6	Very low	30.2	Very low	221 Å²	221	146 Å²	146	83%	0.834	79%	0.792	S	S	*	*			trans	-87.7	142.5	170.4	-108.6	-166.6	171	-170.8	-1.4	111.2	Y331	Y331-R333 HydrophobicContact CD1-CG 4.37Å; Y331-R333 PolarHBondContact O-N 2.93Å
334	P	25.9	Very low	29.7	Very low	107 Å²	107	150.6 Å²	150.6	70%	0.695	79%	0.794	S	S	*	*			trans	-87	160.1	-159.6	34.8	-37.2	0	0	0	113.7	S336	P334-S336 PolarHBondContact O-N 2.81Å
335	L	27.3	Very low	29.2	Very low	174 Å²	174	147.1 Å²	147.1	91%	0.911	79%	0.789	S	S	*	*			trans	-49.6	104	161.1	-69	158.7	0	0	0	110.2	K337	L335-K337 PolarHBondContact O-N 3.35Å
336	S	30.1	Very low	28.7	Very low	106 Å²	106	146.1 Å²	146.1	74%	0.741	78%	0.78	S	S	*	*			trans	-78.1	111	-178.8	59	0	0	0	0	111.1	P334 S338	P334-S336 PolarHBondContact O-N 2.81Å; S336-S338 PolarHBondContact O-N 2.85Å
337	K	28.1	Very low	28.6	Very low	208 Å²	208	145.4 Å²	145.4	90%	0.904	78%	0.776	S	S	*	*			trans	-59.7	114.9	170.7	-60.5	169.5	-179.4	175.1	0	110.6	L335	L335-K337 PolarHBondContact O-N 3.35Å
338	S	28.9	Very low	28.3	Very low	100 Å²	100	148.7 Å²	148.7	70%	0.699	78%	0.779	S	S	*	*			trans	-162.8	70.5	158.1	60.7	0	0	0	0	111.5	S336 P340	S336-S338 PolarHBondContact O-N 2.85Å; S338-P340 VanDerWaalsContact O-CD 3.32Å; S338-P340 WeakPolarHBondContact O-CD 3.04Å
339	Q	30.3	Very low	28.2	Very low	178 Å²	178	148.2 Å²	148.2	83%	0.832	78%	0.776	S	S	*	*			trans	-79.3	117	155.2	-93.2	-171.2	-21.8	0	0	107.9	Q341	Q339-Q341 PolarHBondContact O-N 2.72Å
340	P	29.8	Very low	28	Very low	109 Å²	109	149.6 Å²	149.6	71%	0.708	77%	0.772	S	S	*	*			trans	-74.5	101.9	161.8	30.7	-30.5	0	0	0	108.2	S338 L342	S338-P340 VanDerWaalsContact O-CD 3.32Å; S338-P340 WeakPolarHBondContact O-CD 3.04Å; P340-L342 HydrophobicContact CB-CG 4.43Å; P340-L342 PolarHBondContact O-N 3.07Å
341	Q	26.7	Very low	28.2	Very low	179 Å²	179	155.3 Å²	155.3	84%	0.836	78%	0.78	S	S	*	*			trans	-69.1	89.9	157.2	-75.2	-171.1	-8.2	0	0	107.4	Q339 A343	Q339-Q341 PolarHBondContact O-N 2.72Å; Q341-A343 PolarHBondContact O-N 3.25Å
342	L	27.9	Very low	28.1	Very low	151 Å²	151	157 Å²	157	79%	0.791	79%	0.785	S	S	*	*			trans	-74	108.3	173.2	-85.2	164.5	0	0	0	109	P340	P340-L342 HydrophobicContact CB-CG 4.43Å; P340-L342 PolarHBondContact O-N 3.07Å
343	A	26.6	Very low	28.3	Very low	89 Å²	89	160.9 Å²	160.9	74%	0.736	78%	0.784	S	S	*	*			trans	-64	142.7	171.8	0	0	0	0	0	110.6	Q341 S345	Q341-A343 PolarHBondContact O-N 3.25Å; A343-S345 PolarHBondContact O-N 3.48Å
344	Y	26.3	Very low	28.3	Very low	207 Å²	207	158 Å²	158	81%	0.812	79%	0.785	S	S	*	*			trans	-73.9	105.1	173.6	-67.1	-92.4	0	0	0	110.2	Y346	Y344-Y346 HydrophobicContact CD1-CE2 4.46Å
345	S	25.5	Very low	28.7	Very low	103 Å²	103	161 Å²	161	72%	0.72	79%	0.789	S	S	*	*			trans	-95.2	103.5	160.1	59.3	0	0	0	0	109.5	A343 D347	A343-S345 PolarHBondContact O-N 3.48Å; S345-D347 PolarHBondContact O-N 3.38Å; S345-D347 VanDerWaalsContact O-N 3.12Å
346	Y	26.6	Very low	28.6	Very low	197 Å²	197	163.7 Å²	163.7	77%	0.773	79%	0.789	S	S	*	*			trans	-77.5	85.7	168.8	-82.4	-92	0	0	0	109.7	Y344 N348	Y344-Y346 HydrophobicContact CD1-CE2 4.46Å; Y346-N348 VanDerWaalsContact C-N 3.3Å; Y346-N348 PolarHBondContact O-N 2.92Å
347	D	30.4	Very low	28.8	Very low	139 Å²	139	164.7 Å²	164.7	74%	0.743	79%	0.785	S	S	*	*			trans	-77.7	88.7	163.9	-94.2	-28.1	0	0	0	109.5	S345 T349	S345-D347 PolarHBondContact O-N 3.38Å; S345-D347 VanDerWaalsContact O-N 3.12Å; D347-T349 PolarHBondContact O-N 2.99Å
348	N	28.1	Very low	28.9	Very low	132 Å²	132	160 Å²	160	71%	0.706	78%	0.775	S	S	*	*			trans	-80.3	67.2	178.9	-151.2	18.5	0	0	0	109.8	Y346 Y350	Y346-N348 VanDerWaalsContact C-N 3.3Å; Y346-N348 PolarHBondContact O-N 2.92Å; N348-Y350 PolarHBondContact O-N 3.09Å
349	T	30.3	Very low	29.1	Very low	110 Å²	110	166.4 Å²	166.4	68%	0.675	78%	0.784	S	S	*	*			trans	-89.3	78.7	179.5	42.7	0	0	0	0	112	D347 Y351	D347-T349 PolarHBondContact O-N 2.99Å; T349-Y351 PolarHBondContact O-N 2.98Å; T349-Y351 VanDerWaalsContact O-N 3.16Å
350	Y	27.4	Very low	29.1	Very low	189 Å²	189	167.4 Å²	167.4	74%	0.741	78%	0.782	S	S	*	*			trans	-56.5	113.2	153.9	-90.1	-103.7	0	0	0	109.1	N348	N348-Y350 PolarHBondContact O-N 3.09Å
351	Y	31.6	Very low	29.1	Very low	214 Å²	214	170.2 Å²	170.2	84%	0.839	79%	0.786	S	S	*	*			trans	-128.4	115.9	157	-96.4	-81.3	0	0	0	110.7	T349	T349-Y351 PolarHBondContact O-N 2.98Å; T349-Y351 VanDerWaalsContact O-N 3.16Å
352	R	29.8	Very low	29.4	Very low	236 Å²	236	166.9 Å²	166.9	89%	0.891	78%	0.782	S	S	*	*			trans	-58.7	154.8	162.1	-76.5	-176.7	172.6	-167.8	-0.9	109.2	D354	R352-D354 PolarHBondContact O-N 3.23Å
353	R	28.3	Very low	29.6	Very low	230 Å²	230	167.5 Å²	167.5	87%	0.868	78%	0.781	S	S	*	*			trans	-45.3	136.4	154.8	-61.9	169.6	176.4	154.6	-1.4	109
354	D	29.2	Very low	29.8	Very low	160 Å²	160	169 Å²	169	86%	0.856	78%	0.777	S	S	*	*				-162.2	150.3	126.3	-86	-28.2	0	0	0	111.2	R352	R352-D354 PolarHBondContact O-N 3.23Å
355	E	32.5	Very low	30	Very low	170 Å²	170	164.8 Å²	164.8	79%	0.794	77%	0.768	S	S	*	*			trans	-24.3	134.6	-172.9	-57.8	179.3	151	0	0	121.1	I357	E355-I357 PolarHBondContact O-N 3.1Å
356	Y	27	Very low	30.2	Very low	230 Å²	230	169.2 Å²	169.2	90%	0.902	77%	0.77	S	S	*	*			trans	-74	111.1	167.6	-126.6	-97.2	0	0	0	110.6
357	I	33.1	Very low	30.4	Very low	128 Å²	128	170.2 Å²	170.2	66%	0.656	77%	0.773	S	S	*	*			trans	-117.5	115.1	166.6	-59.1	178.5	0	0	0	108.6	E355	E355-I357 PolarHBondContact O-N 3.1Å
358	P	29.6	Very low	30.3	Very low	108 Å²	108	169 Å²	169	70%	0.701	77%	0.774	S	S	*	*			trans	-80.8	134.4	176.9	32.1	-32.3	0	0	0	110.8
359	R	34.3	Very low	30.7	Very low	236 Å²	236	168.9 Å²	168.9	89%	0.891	78%	0.781	S	S	*	*			trans	-131.5	133.4	159.9	-73.8	-161.5	176.2	-151.9	1.3	111.1
360	Y	29.9	Very low	30.7	Very low	198 Å²	198	167.1 Å²	167.1	78%	0.776	79%	0.785	S	S	*	*			trans	-78.5	156.5	178.5	-102.4	-117.3	0	0	0	111.8
361	E	29.9	Very low	30.7	Very low	169 Å²	169	169.4 Å²	169.4	79%	0.79	79%	0.794	S	S	*	*			trans	50.2	135.7	148.9	-68	168.1	178.9	0	0	118.9
362	S	33.4	Very low	30.6	Very low	108 Å²	108	163.4 Å²	163.4	76%	0.755	79%	0.788	S	S	*	*			cis	-164.7	144.5	44.5	52.7	0	0	0	0	114.5
363	Q	31.7	Very low	30.5	Very low	164 Å²	164	156.7 Å²	156.7	77%	0.766	78%	0.778	S	S	*	*			trans	30.6	138.5	142.9	-70.5	-163.5	2.6	0	0	124.7
364	N	30.5	Very low	30.6	Very low	122 Å²	122	154.7 Å²	154.7	65%	0.652	78%	0.778	S	S	*	*			trans	71.6	134.3	139.6	-64.1	-7.5	0	0	0	117.9
365	N	31.5	Very low	30.6	Very low	117 Å²	117	152.4 Å²	152.4	63%	0.626	78%	0.775	S	S	*	*			cis	-173.5	148.2	27.4	-115.2	-17.5	0	0	0	111.2
366	Y	28.7	Very low	30.5	Very low	197 Å²	197	149.6 Å²	149.6	77%	0.773	77%	0.771	S	S	*	*			trans	64.3	147	152.6	-72.3	-130.5	0	0	0	117.4
367	R	30.8	Very low	30.5	Very low	218 Å²	218	145.8 Å²	145.8	82%	0.823	77%	0.765	S	S	*	*			cis	-158.5	149.7	1.8	-133.7	178.5	-173.7	-160.8	1.8	109
368	S	28.6	Very low	30.1	Very low	112 Å²	112	146 Å²	146	78%	0.783	77%	0.772	S	S	*	*			trans	-115	-168	164.9	-40	0	0	0	0	109
369	P	36.2	Very low	30	Very low	130 Å²	130	146.5 Å²	146.5	84%	0.844	78%	0.775	S	S	*	*			cis	-131.4	-174.8	-18.9	38.2	-20.1	0	0	0	113.4
370	G	30.8	Very low	29.6	Very low	74 Å²	74	142.8 Å²	142.8	76%	0.763	77%	0.765	S	S	*	*			trans	-171	127.2	168.6	0	0	0	0	0	115.7
371	Y	28	Very low	29.5	Very low	237 Å²	237	143.4 Å²	143.4	93%	0.929	77%	0.768	S	S	*	*			trans	-74	170.6	171.3	-71.1	-111.6	0	0	0	110.2
372	A	28.6	Very low	29.3	Very low	87 Å²	87	140.3 Å²	140.3	72%	0.719	77%	0.771	S	S	*	*			cis	-155.2	175.1	22.5	0	0	0	0	0	113.6
373	S	27.4	Very low	29	Very low	96 Å²	96	140.8 Å²	140.8	67%	0.671	77%	0.774	S	S	*	*			trans	-42.7	142.7	170.7	53.1	0	0	0	0	117.3
374	H	30.4	Very low	29	Very low	187 Å²	187	138.1 Å²	138.1	87%	0.866	77%	0.774	S	S	*	*			trans	-165	116.7	134.1	-82.8	-57.1	0	0	0	111.3
375	S	30.5	Very low	28.9	Very low	113 Å²	113	136.8 Å²	136.8	79%	0.79	78%	0.78	S	S	*	*			trans	-83.8	153.1	144.8	-50.3	0	0	0	0	107.2
376	P	30.2	Very low	28.7	Very low	110 Å²	110	137 Å²	137	71%	0.714	79%	0.79	S	S	*	*				-162	-169.1	94.4	40.9	-19	0	0	0	116.8
377	I	26.6	Very low	28.7	Very low	150 Å²	150	132.4 Å²	132.4	77%	0.769	79%	0.793	S	S	*	*			trans	84.7	120.7	157.2	-60.4	159.1	0	0	0	118.9
378	V	24.5	Very low	28.7	Very low	134 Å²	134	125.7 Å²	125.7	81%	0.812	79%	0.792	S	S	*	*			trans	-116.5	132.4	161.1	171.6	0	0	0	0	108.3
379	P	28.1	Very low	28.8	Very low	118 Å²	118	126.9 Å²	126.9	77%	0.766	80%	0.795	S	S	*	*			trans	-87.8	147.4	165.8	-9	27.8	0	0	0	112.7
380	K	25.9	Very low	28.7	Very low	157 Å²	157	125.1 Å²	125.1	68%	0.683	78%	0.783	S	S	*	*			trans	-113.3	168.8	173	-105.6	-174.8	175.6	179.6	0	110.5
381	Y	26.4	Very low	28.8	Very low	212 Å²	212	130 Å²	130	83%	0.831	79%	0.786	S	S	*	*			trans	78.5	149.9	169.6	-43.2	-68	0	0	0	114.3
382	A	27	Very low	28.9	Very low	103 Å²	103	124.8 Å²	124.8	85%	0.851	78%	0.779	S	S	*	*			cis	-138.8	179.2	14.8	0	0	0	0	0	114.1
383	S	26.2	Very low	29	Very low	118 Å²	118	125.9 Å²	125.9	83%	0.825	78%	0.779	S	S	*	*			trans	-120.6	145.3	-173.3	170.2	0	0	0	0	112.4
384	S	32	Very low	28.9	Very low	109 Å²	109	129 Å²	129	76%	0.762	79%	0.788	S	S	*	*			trans	-154.7	121.1	153.3	40.8	0	0	0	0	107.2
385	A	28	Very low	28.7	Very low	94 Å²	94	131.2 Å²	131.2	78%	0.777	79%	0.788	S	S	*	*				56.3	131.3	80.8	0	0	0	0	0	112.9
386	S	28.8	Very low	28.4	Very low	120 Å²	120	133.2 Å²	133.2	84%	0.839	79%	0.789	S	S	*	*			cis	-164	179.4	-8.1	65.2	0	0	0	0	107.5
387	A	28.6	Very low	28.2	Very low	101 Å²	101	133 Å²	133	84%	0.835	79%	0.785	S	S	*	*			cis	-154.6	-170.5	5.5	0	0	0	0	0	109.1
388	G	30.7	Very low	28.1	Very low	78 Å²	78	133.5 Å²	133.5	80%	0.804	78%	0.784	S	S	*	*			trans	143.3	75.9	167.4	0	0	0	0	0	116.5
389	T	30.2	Very low	28.3	Very low	137 Å²	137	137.5 Å²	137.5	84%	0.84	79%	0.786	S	S	*	*			trans	-82.6	-177.4	174.2	44.2	0	0	0	0	112.3
390	P	33.8	Very low	28.1	Very low	92 Å²	92	138.1 Å²	138.1	60%	0.597	78%	0.783	S	S	*	*				-134.1	-180	-58.7	39.4	-23.5	0	0	0	112
391	H	32.6	Very low	28.3	Very low	178 Å²	178	137.1 Å²	137.1	82%	0.824	79%	0.785	S	S	*	*				172.4	145.8	121	-92.7	-67.8	0	0	0	113.7
392	T	29.6	Very low	28.4	Very low	126 Å²	126	134 Å²	134	77%	0.773	78%	0.783	S	S	*	*			trans	-113.3	-167.9	-176.5	50.6	0	0	0	0	109.6
393	P	31.5	Very low	28.7	Very low	111 Å²	111	136.9 Å²	136.9	72%	0.721	78%	0.784	S	S	*	*			cis	-132.2	179.9	-22.6	19.9	4.8	0	0	0	114.4
394	N	25.3	Very low	28.8	Very low	162 Å²	162	140 Å²	140	87%	0.866	79%	0.785	S	S	*	*			trans	-15.6	138.8	157.3	-60.3	-26.4	0	0	0	119.1
395	R	25.2	Very low	29	Very low	232 Å²	232	142.3 Å²	142.3	88%	0.875	79%	0.788	S	S	*	*			trans	-149.1	132.3	141	-150.5	172.7	-173.9	173.4	1.3	113.1
396	I	24.3	Very low	29.3	Very low	156 Å²	156	144.9 Å²	144.9	80%	0.8	79%	0.788	S	S	*	*			trans	-79	134.9	166.4	-64.6	164.9	0	0	0	107.8
397	V	26.4	Very low	29.3	Very low	105 Å²	105	149.1 Å²	149.1	64%	0.636	79%	0.787	S	S	*	*			trans	-139.6	112.6	169.3	-176.8	0	0	0	0	109.3	Y399	V397-Y399 HydrophobicContact CG1-CD2 3.77Å; V397-Y399 HydrophobicContact CG1-CE2 4.27Å
398	H	24.6	Very low	29.5	Very low	160 Å²	160	152 Å²	152	74%	0.741	79%	0.789	S	S	*	*			trans	-80.3	143	149.8	-75.2	-102.2	0	0	0	107.5
399	Y	28.1	Very low	29.6	Very low	219 Å²	219	159.3 Å²	159.3	86%	0.859	79%	0.792	S	S	*	*			trans	-155	157.3	143.2	-89.6	-59.4	0	0	0	110.9	V397	V397-Y399 HydrophobicContact CG1-CD2 3.77Å; V397-Y399 HydrophobicContact CG1-CE2 4.27Å
400	N	25.8	Very low	29.6	Very low	131 Å²	131	160.9 Å²	160.9	70%	0.701	80%	0.795	S	S	*	*			trans	-90.5	166.7	-171	-62.5	-15	0	0	0	112.1
401	D	28.2	Very low	29.3	Very low	135 Å²	135	159.7 Å²	159.7	72%	0.722	80%	0.799	S	S	*	*			trans	35.3	150.5	135.5	-52.7	-30.2	0	0	0	122.2
402	D	28.5	Very low	29.1	Very low	147 Å²	147	157.3 Å²	157.3	79%	0.786	80%	0.798	S	S	*	*			trans	66.4	101.8	167.4	-50.4	-29	0	0	0	116.7
403	D	34.3	Very low	28.9	Very low	163 Å²	163	158.5 Å²	158.5	87%	0.872	80%	0.799	S	S	*	*				-166.2	135.1	122	-97.5	-25.6	0	0	0	111.7
404	E	29.1	Very low	28.8	Very low	185 Å²	185	160 Å²	160	86%	0.864	81%	0.807	S	S	*	*			trans	-95.2	118.7	-177	171.2	-177.5	-132.6	0	0	109.3
405	I	36	Very low	28.9	Very low	157 Å²	157	161.5 Å²	161.5	81%	0.805	81%	0.806	S	S	*	*			trans	-139	121.2	161.8	-78.5	102.6	0	0	0	111.5
406	D	33.3	Very low	29.1	Very low	148 Å²	148	155.8 Å²	155.8	79%	0.791	80%	0.801	S	S	*	*			trans	-10.4	155.4	160.1	-129.9	-21.4	0	0	0	122.8
407	Y	30	Very low	29.4	Very low	209 Å²	209	156.7 Å²	156.7	82%	0.82	80%	0.799	S	S	*	*			trans	-92.2	135.4	172.7	-82.3	-109.1	0	0	0	111
408	D	31.7	Very low	29.6	Very low	161 Å²	161	160.9 Å²	160.9	86%	0.861	81%	0.809	S	S	*	*				179.6	169.6	112.1	-113.6	-27.3	0	0	0	114.3
409	R	32.5	Very low	30.1	Very low	231 Å²	231	156.4 Å²	156.4	87%	0.872	79%	0.793	S	S	*	*			trans	101.2	92	155.7	-148.6	173.3	-159	166.5	6.1	118.9
410	D	29.9	Very low	30.6	Very low	170 Å²	170	153.3 Å²	153.3	91%	0.909	79%	0.791	S	S	*	*			trans	17.7	120.1	144.9	-68.7	-48.1	0	0	0	120.4
411	G	29.5	Very low	31.6	Very low	67 Å²	67	149.4 Å²	149.4	69%	0.691	78%	0.782	S	S	*	*			trans	-152.4	31.5	-176.7	0	0	0	0	0	117.3
412	T	27.5	Very low	32.7	Very low	128 Å²	128	146.4 Å²	146.4	79%	0.785	77%	0.766	S	S	*	*			trans	57.9	138.7	159.4	62.1	0	0	0	0	121.6
413	N	25.1	Very low	33.8	Very low	151 Å²	151	140.7 Å²	140.7	81%	0.807	74%	0.735	S	S	*	*			trans	67.2	78.8	149.8	-64.7	-24.6	0	0	0	120.1
414	T	29.8	Very low	34.7	Very low	143 Å²	143	137.1 Å²	137.1	88%	0.877	72%	0.716	S	S	*	*				-150.3	133.5	126.4	16.2	0	0	0	0	109.6	S416	T414-S416 PolarHBondContact O-N 2.96Å
415	K	28	Very low	35.9	Very low	194 Å²	194	132.3 Å²	132.3	84%	0.843	70%	0.699	S	S	*	*			trans	-71.3	97.3	-178	-72.2	-177.5	177.2	-179	0	111.1	F417	K415-F417 PolarHBondContact O-N 3.39Å
416	S	29.3	Very low	37.1	Very low	111 Å²	111	127.9 Å²	127.9	78%	0.776	68%	0.677	S	S	*	*			trans	-75.8	108.9	160.6	45.7	0	0	0	0	109.3	T414 K418	T414-S416 PolarHBondContact O-N 2.96Å; S416-K418 PolarHBondContact O-N 3.15Å
417	F	30.7	Very low	38.7	Very low	175 Å²	175	127.8 Å²	127.8	77%	0.768	67%	0.669	S	S	*	*			trans	-71.8	109.7	164.1	-78.6	-93.8	0	0	0	107.9	K415 V419	K415-F417 PolarHBondContact O-N 3.39Å; F417-V419 HydrophobicContact CB-CG2 4.49Å; F417-V419 PolarHBondContact O-N 3.16Å
418	K	29.6	Very low	40.7	Very low	193 Å²	193	121.8 Å²	121.8	84%	0.839	65%	0.65	S	S	*	*			trans	-65.1	118.4	157.5	-81.5	-171.4	172.9	-173	0	107.1	S416	S416-K418 PolarHBondContact O-N 3.15Å
419	V	36.4	Very low	42.4	Very low	66 Å²	66	117 Å²	117	40%	0.4	63%	0.625	S	S	.	*			trans	-107.3	109.8	167.9	-179.1	0	0	0	0	105.4	F417 D423	F417-V419 HydrophobicContact CB-CG2 4.49Å; F417-V419 PolarHBondContact O-N 3.16Å; V419-D423 HydrophobicContact CG1-CB 4.31Å
420	D	37.5	Very low	44.1	Very low	154 Å²	154	108 Å²	108	82%	0.824	60%	0.596	S	S	*	*			trans	-75	130.1	167.6	-70	-46.2	0	0	0	108.4
421	G	47	Very low	45.9	Very low	49 Å²	49	105 Å²	105	51%	0.505	57%	0.573	S	S	.	*	S	Bend	trans	112.1	147.5	-176.3	0	0	0	0	0	113.9	D423	G421-D423 PolarHBondContact O-N 2.81Å
422	D	50.4	Low	47	Very low	72 Å²	72	104 Å²	104	39%	0.385	55%	0.552	S	S	.	*			trans	-71.1	47.4	179	-76.3	-31.8	0	0	0	113.1	R459	D422-R459 IonicContact OD2-CZ 3.7Å; D422-R459 IonicContact OD2-NH1 2.85Å; D422-R459 PolarHBondContact OD2-NH1 3.41Å; D422-R459 IonicContact OD2-NH2 3.2Å; D422-R459 PolarHBondContact OD2-NH2 3.27Å
423	D	51.7	Low	48.4	Very low	27 Å²	27	103 Å²	103	14%	0.144	55%	0.548	C	S	.	.			trans	-83.6	122.4	-176.1	-77	4.6	0	0	0	111.8	V419 G421 V425 R447 I448 S449 H450	V419-D423 HydrophobicContact CG1-CB 4.31Å; G421-D423 PolarHBondContact O-N 2.81Å; D423-V425 PolarHBondContact O-N 2.66Å; D423-R447 HydrophobicContact CB-CG 4.34Å; D423-R447 IonicContact OD2-CZ 3.92Å; D423-R447 IonicContact OD2-NE 3.28Å; D423-R447 PolarHBondContact OD2-NE 3.24Å; D423-R447 IonicContact OD2-NH2 2.65Å; D423-R447 PolarHBondContact OD2-NH2 3.19Å; D423-I448 CarbonylContact C-O 3.57Å; D423-I448 WeakPolarHBondContact CA-O 3.15Å; D423-S449 WeakPolarHBondContact OD1-CA 3.31Å; D423-H450 IonicContact OD1-CE1 2.71Å; D423-H450 IonicContact OD1-ND1 3.74Å; D423-H450 PolarHBondContact OD1-ND1 3.08Å
424	L	54	Low	49.7	Very low	89 Å²	89	103.2 Å²	103.2	47%	0.466	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	113.2	179.8	-95.6	158.3	0	0	0	110.2	I448 Y461	L424-I448 HydrophobicContact CB-CB 3.88Å; L424-I448 HydrophobicContact CB-CD1 4.48Å; L424-I448 HydrophobicContact CB-CG2 4.39Å; L424-I448 PolarHBondContact N-O 3.2Å; L424-I448 WeakPolarHBondContact O-CB 3.49Å; L424-I448 PolarHBondContact O-N 3.28Å; L424-Y461 HydrophobicContact CD1-CD1 4.01Å; L424-Y461 HydrophobicContact CD1-CE1 3.97Å
425	V	53.2	Low	50.5	Low	83 Å²	83	101.5 Å²	101.5	50%	0.503	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	104.1	176.6	-176.3	0	0	0	0	110.4	D423 V445 V446	D423-V425 PolarHBondContact O-N 2.66Å; V425-V445 HydrophobicContact CG1-CG1 3.55Å; V425-V446 CarbonylContact C-O 3.54Å; V425-V446 WeakPolarHBondContact CA-O 3.04Å
426	L	61.5	Low	51.6	Low	65 Å²	65	104.2 Å²	104.2	34%	0.34	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.9	174.5	-73	167	0	0	0	110.6	V445 V446 I448	L426-V445 WeakPolarHBondContact O-CA 3.13Å; L426-V446 HydrophobicContact CB-CB 4.25Å; L426-V446 PolarHBondContact N-O 3.25Å; L426-V446 PolarHBondContact O-N 3.17Å; L426-I448 HydrophobicContact CD1-CD1 3.57Å; L426-I448 HydrophobicContact CD1-CG1 4.46Å; L426-I448 HydrophobicContact CG-CD1 4.38Å
427	K	68.1	Low	52.5	Low	145 Å²	145	101.3 Å²	101.3	63%	0.63	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	108.4	174.5	-173	-179.3	-177.5	179.8	0	110.3	T443 H444	K427-T443 HydrophobicContact CD-CG2 4.23Å; K427-T443 VanDerWaalsContact CE-CG2 3.43Å; K427-T443 HydrophobicContact CG-CG2 3.73Å; K427-H444 CarbonylContact C-O 3.56Å; K427-H444 WeakPolarHBondContact CA-O 3.25Å
428	I	70.9	Confident	53.8	Low	83 Å²	83	103.1 Å²	103.1	43%	0.426	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	110.4	-177.7	-52.3	172.9	0	0	0	108.7	T443 H444 V446	I428-T443 CarbonylContact O-C 3.6Å; I428-T443 WeakPolarHBondContact O-CA 3.48Å; I428-H444 HydrophobicContact CB-CB 4.28Å; I428-H444 PolarHBondContact N-O 3.28Å; I428-H444 PolarHBondContact O-N 3.05Å; I428-V446 HydrophobicContact CD1-CG2 4.17Å
429	N	67.3	Low	55.2	Low	62 Å²	62	97.5 Å²	97.5	33%	0.332	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	110.9	177.7	-69.4	-14	0	0	0	110	Y431 P440	N429-Y431 HydrophobicContact CB-CD2 4.29Å; N429-Y431 HydrophobicContact CB-CE2 3.51Å; N429-Y431 PolarHBondContact ND2-OH 2.9Å; N429-Y431 WeakPolarHBondContact O-CD2 3.42Å; N429-P440 HydrophobicContact CB-CB 3.94Å; N429-P440 HydrophobicContact CB-CG 4.21Å
430	C	68.6	Low	56.6	Low	40 Å²	40	96.1 Å²	96.1	27%	0.27	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	109.2	178.1	-61.1	0	0	0	0	110.4	P440 R441 T442 H444	C430-P440 CarbonylContact O-C 3.47Å; C430-P440 WeakPolarHBondContact O-CA 3.31Å; C430-R441 PolarHBondContact O-N 3Å; C430-T442 PolarHBondContact N-O 2.99Å; C430-T442 PolarHBondContact O-N 3.21Å; C430-H444 VanDerWaalsContact SG-CD2 3.57Å
431	Y	66.8	Low	57.8	Low	108 Å²	108	98.8 Å²	98.8	42%	0.424	50%	0.498	S	S	.	.			trans	-92.7	150.5	175.7	-64.1	-88.7	0	0	0	111	N429 P440	N429-Y431 HydrophobicContact CB-CD2 4.29Å; N429-Y431 HydrophobicContact CB-CE2 3.51Å; N429-Y431 PolarHBondContact ND2-OH 2.9Å; N429-Y431 WeakPolarHBondContact O-CD2 3.42Å; Y431-P440 HydrophobicContact CD1-CB 4.21Å; Y431-P440 HydrophobicContact CE1-CB 3.98Å; Y431-P440 HydrophobicContact CE2-CB 4.4Å
432	N	54.5	Low	58.6	Low	46 Å²	46	99.4 Å²	99.4	25%	0.246	49%	0.491	C	S	.	.			trans	-77.1	125.5	168.5	-177	-9.4	0	0	0	108.3	E434 N435	N432-E434 VanDerWaalsContact C-N 3.32Å; N432-E434 PolarHBondContact O-N 2.87Å; N432-E434 PolarHBondContact OD1-N 2.98Å; N432-N435 HydrophobicContact CB-CB 4.41Å; N432-N435 CarbonylContact O-C 3.59Å
433	P	55.5	Low	59.1	Low	108 Å²	108	99 Å²	99	70%	0.701	49%	0.491	S	S	*	.	S	Bend	trans	-66.7	-31	177.2	25.9	-34.6	0	0	0	113.4
434	E	53.1	Low	59.6	Low	154 Å²	154	102.1 Å²	102.1	72%	0.72	51%	0.505	S	S	*	.	S	Bend	trans	-75	-42.4	-177.3	-60.3	177.6	161.2	0	0	111.6	N432	N432-E434 VanDerWaalsContact C-N 3.32Å; N432-E434 PolarHBondContact O-N 2.87Å; N432-E434 PolarHBondContact OD1-N 2.98Å
435	N	45.6	Very low	60	Low	107 Å²	107	102.6 Å²	102.6	57%	0.572	51%	0.512	S	S	*	.	S	Bend	trans	-106.1	106.5	178.1	-68.3	-18.4	0	0	0	108.8	N432 S437	N432-N435 HydrophobicContact CB-CB 4.41Å; N432-N435 CarbonylContact O-C 3.59Å; N435-S437 PolarHBondContact O-N 3.22Å
436	R	51.2	Low	60.5	Low	251 Å²	251	100.9 Å²	100.9	95%	0.947	50%	0.501	S	S	*	.			trans	-64.4	58.2	172.5	-66.3	-174.7	177.6	-168	-0.8	112.5
437	S	48.5	Very low	60.4	Low	51 Å²	51	105 Å²	105	36%	0.357	51%	0.512	S	S	.	.			trans	-66.7	134.6	-176.7	179.8	0	0	0	0	110.1	N435 S439	N435-S437 PolarHBondContact O-N 3.22Å; S437-S439 VanDerWaalsContact CB-O 3.25Å; S437-S439 WeakPolarHBondContact CB-O 3.46Å; S437-S439 PolarHBondContact O-N 3.12Å; S437-S439 PolarHBondContact OG-N 2.86Å; S437-S439 PolarHBondContact OG-O 3.27Å; S437-S439 PolarHBondContact OG-OG 3.19Å
438	K	59.1	Low	60.2	Low	212 Å²	212	100.1 Å²	100.1	92%	0.922	49%	0.493	S	S	*	.	S	Bend	trans	-67.1	-22.4	173.5	-65.6	-177.2	179	179.1	0	112.1
439	S	59	Low	59.5	Low	75 Å²	75	99.6 Å²	99.6	52%	0.524	50%	0.496	S	S	.	.	S	Bend	trans	-105.1	137.8	173.9	44.9	0	0	0	0	111.2	S437	S437-S439 VanDerWaalsContact CB-O 3.25Å; S437-S439 WeakPolarHBondContact CB-O 3.46Å; S437-S439 PolarHBondContact O-N 3.12Å; S437-S439 PolarHBondContact OG-N 2.86Å; S437-S439 PolarHBondContact OG-O 3.27Å; S437-S439 PolarHBondContact OG-OG 3.19Å
440	P	64.3	Low	58.9	Low	37 Å²	37	98.6 Å²	98.6	24%	0.24	49%	0.49	C	S	.	.			trans	-65.2	147.3	169	29.5	-34.1	0	0	0	110.1	N429 C430 Y431	N429-P440 HydrophobicContact CB-CB 3.94Å; N429-P440 HydrophobicContact CB-CG 4.21Å; C430-P440 CarbonylContact O-C 3.47Å; C430-P440 WeakPolarHBondContact O-CA 3.31Å; Y431-P440 HydrophobicContact CD1-CB 4.21Å; Y431-P440 HydrophobicContact CE1-CB 3.98Å; Y431-P440 HydrophobicContact CE2-CB 4.4Å
441	R	63	Low	58.1	Low	211 Å²	211	103.3 Å²	103.3	80%	0.796	51%	0.508	S	S	*	.	S	Bend	trans	-67.7	-39.5	175.1	176.9	178.6	172.7	171.8	-1.8	111	C430	C430-R441 PolarHBondContact O-N 3Å
442	T	63.4	Low	57.4	Low	61 Å²	61	103.1 Å²	103.1	37%	0.374	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	144.9	178.4	-45.6	0	0	0	0	108.8	C430 H444	C430-T442 PolarHBondContact N-O 2.99Å; C430-T442 PolarHBondContact O-N 3.21Å; T442-H444 WeakPolarHBondContact CG2-NE2 3.2Å
443	T	60.8	Low	57.2	Low	63 Å²	63	104.2 Å²	104.2	39%	0.387	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.3	169.5	-62	0	0	0	0	107.8	K427 I428 V445	K427-T443 HydrophobicContact CD-CG2 4.23Å; K427-T443 VanDerWaalsContact CE-CG2 3.43Å; K427-T443 HydrophobicContact CG-CG2 3.73Å; I428-T443 CarbonylContact O-C 3.6Å; I428-T443 WeakPolarHBondContact O-CA 3.48Å; T443-V445 HydrophobicContact CG2-CG2 4.46Å
444	H	63.3	Low	57.1	Low	93 Å²	93	109.9 Å²	109.9	43%	0.431	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	137.5	170.8	-56.5	-91.3	0	0	0	109	K427 I428 C430 T442	K427-H444 CarbonylContact C-O 3.56Å; K427-H444 WeakPolarHBondContact CA-O 3.25Å; I428-H444 HydrophobicContact CB-CB 4.28Å; I428-H444 PolarHBondContact N-O 3.28Å; I428-H444 PolarHBondContact O-N 3.05Å; C430-H444 VanDerWaalsContact SG-CD2 3.57Å; T442-H444 WeakPolarHBondContact CG2-NE2 3.2Å
445	V	61.2	Low	57.2	Low	99 Å²	99	110.9 Å²	110.9	60%	0.6	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	112.3	171.6	-178.7	0	0	0	0	106.5	V425 L426 T443	V425-V445 HydrophobicContact CG1-CG1 3.55Å; L426-V445 WeakPolarHBondContact O-CA 3.13Å; T443-V445 HydrophobicContact CG2-CG2 4.46Å
446	V	64	Low	57.5	Low	48 Å²	48	110.8 Å²	110.8	29%	0.291	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.1	178.7	-178.7	0	0	0	0	107.2	V425 L426 I428 I448	V425-V446 CarbonylContact C-O 3.54Å; V425-V446 WeakPolarHBondContact CA-O 3.04Å; L426-V446 HydrophobicContact CB-CB 4.25Å; L426-V446 PolarHBondContact N-O 3.25Å; L426-V446 PolarHBondContact O-N 3.17Å; I428-V446 HydrophobicContact CD1-CG2 4.17Å; V446-I448 HydrophobicContact CG1-CG1 4.27Å
447	R	60.9	Low	57.5	Low	150 Å²	150	106.5 Å²	106.5	57%	0.566	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.5	171	-178.3	178.5	177.8	175.6	-0.8	107.9	D423	D423-R447 HydrophobicContact CB-CG 4.34Å; D423-R447 IonicContact OD2-CZ 3.92Å; D423-R447 IonicContact OD2-NE 3.28Å; D423-R447 PolarHBondContact OD2-NE 3.24Å; D423-R447 IonicContact OD2-NH2 2.65Å; D423-R447 PolarHBondContact OD2-NH2 3.19Å
448	I	62.7	Low	57.3	Low	44 Å²	44	107.5 Å²	107.5	23%	0.226	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	102.4	172.6	-61.8	-179.5	0	0	0	106.3	D423 L424 L426 V446 Y461	D423-I448 CarbonylContact C-O 3.57Å; D423-I448 WeakPolarHBondContact CA-O 3.15Å; L424-I448 HydrophobicContact CB-CB 3.88Å; L424-I448 HydrophobicContact CB-CD1 4.48Å; L424-I448 HydrophobicContact CB-CG2 4.39Å; L424-I448 PolarHBondContact N-O 3.2Å; L424-I448 WeakPolarHBondContact O-CB 3.49Å; L424-I448 PolarHBondContact O-N 3.28Å; L426-I448 HydrophobicContact CD1-CD1 3.57Å; L426-I448 HydrophobicContact CD1-CG1 4.46Å; L426-I448 HydrophobicContact CG-CD1 4.38Å; V446-I448 HydrophobicContact CG1-CG1 4.27Å; I448-Y461 HydrophobicContact CG2-CD1 4.08Å; I448-Y461 HydrophobicContact CG2-CG 4.41Å; I448-Y461 VanDerWaalsContact CG2-OXT 3.23Å; I448-Y461 WeakPolarHBondContact CG2-OXT 3.32Å
449	S	56.9	Low	56.7	Low	71 Å²	71	103.5 Å²	103.5	50%	0.497	51%	0.508	S	S	.	.			trans	-91.4	131.2	174.9	53.6	0	0	0	0	110.1	D423	D423-S449 WeakPolarHBondContact OD1-CA 3.31Å
450	H	53.8	Low	56.4	Low	41 Å²	41	106.7 Å²	106.7	19%	0.19	51%	0.512	C	S	.	.			trans	-76.6	139.9	175.6	60.9	-69.4	0	0	0	111.2	D423 D452 K460 Y461	D423-H450 IonicContact OD1-CE1 2.71Å; D423-H450 IonicContact OD1-ND1 3.74Å; D423-H450 PolarHBondContact OD1-ND1 3.08Å; H450-D452 IonicContact CD2-OD1 2.85Å; H450-K460 WeakPolarHBondContact CA-O 3.42Å; H450-K460 WeakPolarHBondContact CB-O 3.5Å; H450-Y461 HydrophobicContact CB-CD1 4.19Å; H450-Y461 HydrophobicContact CB-CE1 4.21Å
451	E	52.9	Low	55.7	Low	139 Å²	139	112.2 Å²	112.2	65%	0.65	53%	0.529	S	S	*	.	B	Isolated β-bridge	trans	-93.7	112.4	169.8	-168.9	175.7	-146.8	0	0	109.1	N453 K460	E451-N453 PolarHBondContact O-N 3.07Å; E451-K460 PolarHBondContact N-O 3.33Å; E451-K460 VanDerWaalsContact N-O 3.13Å
452	D	51.9	Low	55.4	Low	105 Å²	105	107.3 Å²	107.3	56%	0.561	52%	0.516	S	S	*	.			trans	-76	73.4	-176.1	-126.9	19.9	0	0	0	110.6	H450 R454	H450-D452 IonicContact CD2-OD1 2.85Å; D452-R454 VanDerWaalsContact C-N 3.32Å; D452-R454 PolarHBondContact O-N 3.41Å
453	N	50.9	Low	54.9	Low	68 Å²	68	109.7 Å²	109.7	36%	0.364	52%	0.523	S	S	.	.			trans	-75.4	85.1	-178.7	-161.7	-37.6	0	0	0	110.6	E451 E455 N456	E451-N453 PolarHBondContact O-N 3.07Å; N453-E455 PolarHBondContact O-N 3.4Å; N453-N456 PolarHBondContact O-N 3.32Å; N453-N456 VanDerWaalsContact O-N 3.11Å
454	R	51.9	Low	54.6	Low	228 Å²	228	112.3 Å²	112.3	86%	0.86	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-18.6	-175.8	-71.4	-174.8	173.6	-173.9	-2.2	115.1	D452	D452-R454 VanDerWaalsContact C-N 3.32Å; D452-R454 PolarHBondContact O-N 3.41Å
455	E	55.3	Low	54.1	Low	174 Å²	174	113.4 Å²	113.4	81%	0.813	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-11.5	-178.7	-62.2	-171.9	156	0	0	114	N453	N453-E455 PolarHBondContact O-N 3.4Å
456	N	53	Low	53.6	Low	105 Å²	105	114.3 Å²	114.3	56%	0.561	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138	3.6	-169.9	-88.5	-66.8	0	0	0	117.2	N453 N458	N453-N456 PolarHBondContact O-N 3.32Å; N453-N456 VanDerWaalsContact O-N 3.11Å; N456-N458 PolarHBondContact O-N 3.49Å; N456-N458 PolarHBondContact O-ND2 2.78Å
457	N	50.9	Low	53	Low	161 Å²	161	118.7 Å²	118.7	86%	0.861	55%	0.549	S	S	*	.			trans	52.6	5.9	-177.5	-87	-4.2	0	0	0	116.4
458	N	44.4	Very low	52.4	Low	72 Å²	72	116.5 Å²	116.5	39%	0.385	55%	0.548	S	S	.	.			trans	-97.5	102.8	-177.2	-76.5	-39	0	0	0	109	N456 K460	N456-N458 PolarHBondContact O-N 3.49Å; N456-N458 PolarHBondContact O-ND2 2.78Å; N458-K460 PolarHBondContact O-N 3.17Å; N458-K460 VanDerWaalsContact O-N 3.1Å
459	R	46.8	Very low	51.6	Low	129 Å²	129	122.1 Å²	122.1	49%	0.487	57%	0.572	S	S	.	*			trans	-59.5	113	166.3	-71.6	179.1	172.2	-163.1	-9.2	108.8	D422 Y461	D422-R459 IonicContact OD2-CZ 3.7Å; D422-R459 IonicContact OD2-NH1 2.85Å; D422-R459 PolarHBondContact OD2-NH1 3.41Å; D422-R459 IonicContact OD2-NH2 3.2Å; D422-R459 PolarHBondContact OD2-NH2 3.27Å; R459-Y461 HydrophobicContact CB-CE2 4.41Å
460	K	52.4	Low	51.1	Low	141 Å²	141	126.3 Å²	126.3	61%	0.613	58%	0.579	S	S	*	*	B	Isolated β-bridge	trans	-94.3	130.4	164.5	-73.1	-176.8	178.4	177.5	0	108.2	H450 E451 N458	H450-K460 WeakPolarHBondContact CA-O 3.42Å; H450-K460 WeakPolarHBondContact CB-O 3.5Å; E451-K460 PolarHBondContact N-O 3.33Å; E451-K460 VanDerWaalsContact N-O 3.13Å; N458-K460 PolarHBondContact O-N 3.17Å; N458-K460 VanDerWaalsContact O-N 3.1Å
461	Y	49.8	Very low	50.9	Low	153 Å²	153	134.1 Å²	134.1	60%	0.6	61%	0.614	S	S	*	*			trans	-100.4	0	171.5	-70.2	-76.4	0	0	0	109	L424 I448 H450 R459	L424-Y461 HydrophobicContact CD1-CD1 4.01Å; L424-Y461 HydrophobicContact CD1-CE1 3.97Å; I448-Y461 HydrophobicContact CG2-CD1 4.08Å; I448-Y461 HydrophobicContact CG2-CG 4.41Å; I448-Y461 VanDerWaalsContact CG2-OXT 3.23Å; I448-Y461 WeakPolarHBondContact CG2-OXT 3.32Å; H450-Y461 HydrophobicContact CB-CD1 4.19Å; H450-Y461 HydrophobicContact CB-CE1 4.21Å; R459-Y461 HydrophobicContact CB-CE2 4.41Å

Retrieved 461 of 461 residues in 310.1 ms (Link to these results)

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