A0A077YVS0_TRITR Loading...

Low density lipoprotein receptor (Ldl)

AlphaFold DB , UniProt , Accession A0A077YVS0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 525 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	30.2	Very low	27.7	Very low	235 Å²	235	152.4 Å²	152.4	100%	1.158	87%	0.868	S	S	*	*				0	116.5	0	-78.1	163.9	165.1	0	0	107.9
2	T	29.5	Very low	27.5	Very low	143 Å²	143	147.7 Å²	147.7	88%	0.877	85%	0.848	S	S	*	*			trans	19.7	96.6	166.7	52.2	0	0	0	0	119.6
3	T	31.2	Very low	27.3	Very low	146 Å²	146	146.5 Å²	146.5	90%	0.896	85%	0.845	S	S	*	*			trans	-110.8	99.3	145.6	41.8	0	0	0	0	108
4	A	31.3	Very low	27	Very low	95 Å²	95	146.1 Å²	146.1	79%	0.785	85%	0.846	S	S	*	*			trans	-85.8	124.9	177.1	0	0	0	0	0	110
5	G	25.6	Very low	27	Very low	79 Å²	79	142.5 Å²	142.5	81%	0.814	84%	0.841	S	S	*	*			trans	-73.6	146.2	168.4	0	0	0	0	0	110.7
6	I	28.8	Very low	26.9	Very low	162 Å²	162	137.6 Å²	137.6	83%	0.831	82%	0.821	S	S	*	*			trans	-109.4	126.1	171.6	-64	178.7	0	0	0	108
7	D	25.9	Very low	26.7	Very low	142 Å²	142	140.5 Å²	140.5	76%	0.759	83%	0.83	S	S	*	*			trans	-73.6	139.2	-176.4	-149.3	-23.8	0	0	0	111	H9	D7-H9 PolarHBondContact O-N 3.43Å
8	V	26.1	Very low	26.6	Very low	137 Å²	137	140.9 Å²	140.9	83%	0.83	82%	0.82	S	S	*	*			trans	-99	70.3	-176	-172.2	0	0	0	0	110
9	H	25.5	Very low	26.8	Very low	168 Å²	168	138.3 Å²	138.3	78%	0.778	81%	0.808	S	S	*	*			trans	-135.3	139.4	163.4	-92.5	-78.2	0	0	0	109.5	D7	D7-H9 PolarHBondContact O-N 3.43Å
10	Q	25.7	Very low	26.9	Very low	193 Å²	193	133.3 Å²	133.3	90%	0.902	78%	0.783	S	S	*	*			trans	77.2	90.2	-177.6	-53.3	179.5	-31.1	0	0	116.7
11	L	25.3	Very low	27.3	Very low	176 Å²	176	127.7 Å²	127.7	92%	0.921	75%	0.75	S	S	*	*			trans	-133.3	113.4	149.6	-99.3	168.8	0	0	0	109.1
12	P	25.4	Very low	27.3	Very low	96 Å²	96	119.1 Å²	119.1	62%	0.623	71%	0.708	S	S	*	*			trans	-86.9	153.6	172.7	34.6	-33	0	0	0	111.9
13	T	23.9	Very low	27.6	Very low	133 Å²	133	113.1 Å²	113.1	82%	0.816	67%	0.67	S	S	*	*			trans	49.1	77.8	150.9	55.4	0	0	0	0	119
14	V	24.2	Very low	27.5	Very low	140 Å²	140	110.4 Å²	110.4	85%	0.848	65%	0.646	S	S	*	*			trans	-143.8	109.1	146.9	-171.1	0	0	0	0	111
15	A	26.2	Very low	27.6	Very low	93 Å²	93	106.5 Å²	106.5	77%	0.769	61%	0.611	S	S	*	*			trans	-158.7	77.7	160.9	0	0	0	0	0	107.5
16	A	26.3	Very low	28	Very low	63 Å²	63	105.6 Å²	105.6	52%	0.521	59%	0.588	S	S	.	*				61	120.4	85.6	0	0	0	0	0	112.6	F18	A16-F18 HydrophobicContact CB-CD2 4.31Å; A16-F18 HydrophobicContact CB-CE2 3.77Å; A16-F18 HydrophobicContact CB-CZ 4.48Å; A16-F18 VanDerWaalsContact O-CD2 3.27Å; A16-F18 WeakPolarHBondContact O-CD2 3.47Å; A16-F18 PolarHBondContact O-N 3.21Å; A16-F18 VanDerWaalsContact O-N 3.11Å
17	L	22.6	Very low	28.2	Very low	187 Å²	187	101.7 Å²	101.7	98%	0.979	57%	0.568	S	S	*	*			trans	-66.5	104.2	-176.9	-73.4	140.2	0	0	0	111.3
18	F	25.2	Very low	28.4	Very low	148 Å²	148	98 Å²	98	65%	0.649	54%	0.544	S	S	*	.			trans	-113.1	141.9	170.8	-70.1	-73.2	0	0	0	111.5	A16	A16-F18 HydrophobicContact CB-CD2 4.31Å; A16-F18 HydrophobicContact CB-CE2 3.77Å; A16-F18 HydrophobicContact CB-CZ 4.48Å; A16-F18 VanDerWaalsContact O-CD2 3.27Å; A16-F18 WeakPolarHBondContact O-CD2 3.47Å; A16-F18 PolarHBondContact O-N 3.21Å; A16-F18 VanDerWaalsContact O-N 3.11Å
19	P	29.7	Very low	28.4	Very low	92 Å²	92	95 Å²	95	60%	0.597	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-72	147.6	179.4	30.8	-35	0	0	0	111.5	L360	P19-L360 HydrophobicContact CB-CD2 3.87Å; P19-L360 HydrophobicContact CG-CD2 3.84Å
20	A	29.1	Very low	28.7	Very low	37 Å²	37	90.4 Å²	90.4	31%	0.306	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-61.6	147.3	-174.4	0	0	0	0	0	114	K146 L360	A20-K146 HydrophobicContact CB-CB 4.49Å; A20-K146 HydrophobicContact CB-CG 4.16Å; A20-L360 WeakPolarHBondContact O-CD1 3.31Å
21	N	35.2	Very low	28.9	Very low	17 Å²	17	89.4 Å²	89.4	9%	0.091	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	141.2	175.8	-68.1	-17.6	0	0	0	112.6	V145 K146 L148 Y363	N21-V145 PolarHBondContact N-O 2.81Å; N21-V145 PolarHBondContact O-N 2.94Å; N21-V145 VanDerWaalsContact O-O 3.07Å; N21-K146 PolarHBondContact N-O 3.14Å; N21-L148 PolarHBondContact ND2-O 2.86Å; N21-Y363 VanDerWaalsContact ND2-CD2 3.25Å; N21-Y363 WeakPolarHBondContact ND2-CD2 3.46Å; N21-Y363 WeakPolarHBondContact ND2-CE2 3.37Å; N21-Y363 VanDerWaalsContact OD1-CE2 3.26Å; N21-Y363 WeakPolarHBondContact OD1-CE2 3.41Å
22	I	30.5	Very low	29	Very low	54 Å²	54	91 Å²	91	28%	0.277	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122.6	171.1	-70.9	177	0	0	0	109.6	K24 M144 L360	I22-K24 HydrophobicContact CG2-CG 4.07Å; I22-M144 HydrophobicContact CD1-CE 3.56Å; I22-M144 HydrophobicContact CD1-SD 4.18Å; I22-M144 HydrophobicContact CG1-CE 3.79Å; I22-M144 HydrophobicContact CG1-CG 3.98Å; I22-M144 HydrophobicContact CG1-SD 3.8Å; I22-L360 HydrophobicContact CB-CD1 4.33Å; I22-L360 HydrophobicContact CD1-CD1 3.6Å; I22-L360 HydrophobicContact CG1-CD1 3.58Å
23	F	35.4	Very low	29.1	Very low	18 Å²	18	91.4 Å²	91.4	8%	0.079	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	116.7	163.6	-168.9	-106	0	0	0	109.9	L25 S142 L143 L148 S151 L160	F23-L25 HydrophobicContact CE1-CB 4.16Å; F23-L25 HydrophobicContact CE1-CD1 3.87Å; F23-L25 HydrophobicContact CZ-CD1 4.17Å; F23-S142 WeakPolarHBondContact O-CA 3.28Å; F23-L143 HydrophobicContact CB-CB 4.48Å; F23-L143 WeakPolarHBondContact CB-O 3.39Å; F23-L143 PolarHBondContact N-O 2.91Å; F23-L143 PolarHBondContact O-N 3.17Å; F23-L143 VanDerWaalsContact O-N 3.16Å; F23-L148 HydrophobicContact CB-CD2 3.71Å; F23-L148 HydrophobicContact CD2-CD2 3.53Å; F23-L148 HydrophobicContact CE2-CD2 4.42Å; F23-L148 HydrophobicContact CG-CD2 3.88Å; F23-S151 WeakPolarHBondContact CE2-OG 3.49Å; F23-L160 HydrophobicContact CD1-CD2 4.07Å; F23-L160 HydrophobicContact CE1-CD1 3.95Å; F23-L160 HydrophobicContact CE1-CD2 3.85Å; F23-L160 HydrophobicContact CZ-CD1 4.07Å
24	K	29.7	Very low	29.2	Very low	89 Å²	89	93.4 Å²	93.4	39%	0.387	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	109.2	168.9	-88.5	-179.1	177.3	176.9	0	109.3	I22 L26	I22-K24 HydrophobicContact CG2-CG 4.07Å; K24-L26 PolarHBondContact O-N 3.1Å
25	L	33.9	Very low	29.1	Very low	12 Å²	12	94.9 Å²	94.9	6%	0.063	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	106.3	169.5	-166.3	76.7	0	0	0	109.2	F23 L27 F141 C368	F23-L25 HydrophobicContact CE1-CB 4.16Å; F23-L25 HydrophobicContact CE1-CD1 3.87Å; F23-L25 HydrophobicContact CZ-CD1 4.17Å; L25-L27 HydrophobicContact CD2-CD2 4.17Å; L25-F141 HydrophobicContact CB-CB 4.44Å; L25-F141 PolarHBondContact N-O 3.04Å; L25-C368 HydrophobicContact CD1-CB 3.93Å; L25-C368 HydrophobicContact CG-CB 4.33Å
26	L	34	Very low	29	Very low	60 Å²	60	94.8 Å²	94.8	31%	0.314	50%	0.5	S	S	.	.			trans	-85.9	110.3	171.3	-70.8	-178.1	0	0	0	110	K24 Y28 Y140 I341	K24-L26 PolarHBondContact O-N 3.1Å; L26-Y28 PolarHBondContact O-N 3.22Å; L26-Y140 HydrophobicContact CD2-CD1 4.12Å; L26-Y140 HydrophobicContact CD2-CE1 3.85Å; L26-I341 HydrophobicContact CD1-CD1 3.6Å; L26-I341 HydrophobicContact CG-CD1 4.41Å
27	L	31.8	Very low	28.7	Very low	81 Å²	81	103.5 Å²	103.5	42%	0.424	52%	0.519	S	S	.	.	B	Isolated β-bridge	trans	-77.6	116.6	171.8	-65.1	173.9	0	0	0	109.9	L25 C368	L25-L27 HydrophobicContact CD2-CD2 4.17Å; L27-C368 HydrophobicContact CD2-CB 4.33Å
28	Y	30.1	Very low	28.8	Very low	63 Å²	63	102.9 Å²	102.9	25%	0.247	51%	0.509	C	S	.	.			trans	-75	143.5	-178.1	-176.9	-109.1	0	0	0	112.3	L26 P30 D328 L367	L26-Y28 PolarHBondContact O-N 3.22Å; Y28-P30 HydrophobicContact CE1-CB 3.95Å; Y28-D328 WeakPolarHBondContact CE1-OD2 3.37Å; Y28-D328 VanDerWaalsContact CZ-OD2 3.26Å; Y28-D328 PolarHBondContact OH-OD2 2.77Å; Y28-L367 HydrophobicContact CG-CD1 4.4Å
29	N	27.6	Very low	28.7	Very low	75 Å²	75	103.5 Å²	103.5	40%	0.401	52%	0.518	S	S	.	.			trans	-137	99.7	-176	-177.7	-0.6	0	0	0	110.9	K31 R47	N29-K31 PolarHBondContact O-N 3.21Å; N29-K31 VanDerWaalsContact O-N 3.11Å; N29-R47 PolarHBondContact ND2-NH1 2.79Å; N29-R47 PolarHBondContact OD1-NH1 3.12Å
30	P	30.8	Very low	28.4	Very low	72 Å²	72	105.6 Å²	105.6	47%	0.468	52%	0.519	S	S	.	.			trans	-74.8	2.7	-170.5	27.4	-34.9	0	0	0	115.6	Y28	Y28-P30 HydrophobicContact CE1-CB 3.95Å
31	K	29.3	Very low	28.3	Very low	172 Å²	172	109.8 Å²	109.8	75%	0.748	54%	0.541	S	S	*	.			trans	-105.1	52.8	-173.2	-74.5	-162.7	170.7	-166.8	0	114.9	N29	N29-K31 PolarHBondContact O-N 3.21Å; N29-K31 VanDerWaalsContact O-N 3.11Å
32	R	29	Very low	28.4	Very low	210 Å²	210	118 Å²	118	79%	0.792	57%	0.572	S	S	*	*			trans	-136.3	56.6	165.2	-87.9	-165	172.5	-175.2	-1	113.3
33	S	26.4	Very low	29	Very low	104 Å²	104	117.5 Å²	117.5	73%	0.727	57%	0.574	S	S	*	*			trans	-123.8	155.8	143.1	69.1	0	0	0	0	108.1
34	L	26.3	Very low	29.9	Very low	175 Å²	175	118.3 Å²	118.3	92%	0.916	58%	0.578	S	S	*	*	S	Bend	trans	90.4	121.1	-168.7	-61.9	160.3	0	0	0	116.3
35	I	22.9	Very low	31.1	Very low	170 Å²	170	119.2 Å²	119.2	87%	0.872	58%	0.583	S	S	*	*			trans	-77.1	132.2	179	-66.4	152.4	0	0	0	109.1
36	S	22.5	Very low	31.8	Very low	92 Å²	92	119.3 Å²	119.3	64%	0.643	59%	0.585	S	S	*	*			trans	-157.1	123.8	148	-164.5	0	0	0	0	111.3	F38	S36-F38 PolarHBondContact O-N 3.17Å; S36-F38 WeakPolarHBondContact OG-CD2 3.44Å
37	R	21.3	Very low	32.6	Very low	246 Å²	246	121.2 Å²	121.2	93%	0.928	59%	0.588	S	S	*	*			trans	-78	89.7	168.7	-74.8	178	172.2	177.4	-2.7	108.4
38	F	24.1	Very low	33.1	Very low	174 Å²	174	121.5 Å²	121.5	76%	0.763	59%	0.59	S	S	*	*			trans	-127.8	144.3	163.8	-92.9	-93.1	0	0	0	111.2	S36 Q40	S36-F38 PolarHBondContact O-N 3.17Å; S36-F38 WeakPolarHBondContact OG-CD2 3.44Å; F38-Q40 PolarHBondContact O-N 2.88Å; F38-Q40 VanDerWaalsContact O-N 3.15Å
39	I	23.2	Very low	33.7	Very low	161 Å²	161	120.9 Å²	120.9	83%	0.826	59%	0.591	S	S	*	*			trans	-56.3	112.6	-172.6	-64.2	157.4	0	0	0	109.5	T41	I39-T41 PolarHBondContact O-N 2.76Å; I39-T41 VanDerWaalsContact O-N 3.13Å
40	Q	24.2	Very low	33.8	Very low	136 Å²	136	126 Å²	126	64%	0.636	61%	0.609	S	S	*	*			trans	-77.2	99.6	177.5	-74.5	-167.4	-53	0	0	110.9	F38 Y42	F38-Q40 PolarHBondContact O-N 2.88Å; F38-Q40 VanDerWaalsContact O-N 3.15Å; Q40-Y42 VanDerWaalsContact O-CD2 3.25Å; Q40-Y42 WeakPolarHBondContact O-CD2 3.43Å; Q40-Y42 WeakPolarHBondContact O-CE2 3.3Å; Q40-Y42 PolarHBondContact O-N 3.45Å
41	T	26.9	Very low	33.8	Very low	124 Å²	124	126.4 Å²	126.4	76%	0.761	61%	0.606	S	S	*	*			trans	-64.1	118.4	149	28.6	0	0	0	0	108.6	I39 S43	I39-T41 PolarHBondContact O-N 2.76Å; I39-T41 VanDerWaalsContact O-N 3.13Å; T41-S43 VanDerWaalsContact C-N 3.27Å; T41-S43 PolarHBondContact O-N 2.91Å
42	Y	35.9	Very low	33.6	Very low	191 Å²	191	122.4 Å²	122.4	75%	0.749	61%	0.606	S	S	*	*			trans	-80.5	62.9	-172.7	-72.1	-94.1	0	0	0	112.6	Q40	Q40-Y42 VanDerWaalsContact O-CD2 3.25Å; Q40-Y42 WeakPolarHBondContact O-CD2 3.43Å; Q40-Y42 WeakPolarHBondContact O-CE2 3.3Å; Q40-Y42 PolarHBondContact O-N 3.45Å
43	S	43.4	Very low	33.7	Very low	43 Å²	43	117.7 Å²	117.7	30%	0.301	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-79.4	131	171.5	-61.2	0	0	0	0	111.2	T41 H45 P113	T41-S43 VanDerWaalsContact C-N 3.27Å; T41-S43 PolarHBondContact O-N 2.91Å; S43-H45 PolarHBondContact O-N 3.21Å; S43-H45 PolarHBondContact O-ND1 3.02Å; S43-P113 CarbonylContact C-O 3.47Å; S43-P113 WeakPolarHBondContact CA-O 3.41Å
44	I	54.7	Low	33.7	Very low	34 Å²	34	116 Å²	116	17%	0.174	60%	0.599	C	S	.	*	B	Isolated β-bridge	trans	-82.1	119.1	177.6	-64.4	178.3	0	0	0	109.1	P113 S115 Y125 C127 L135 T137	I44-P113 PolarHBondContact N-O 3.39Å; I44-S115 PolarHBondContact O-N 2.86Å; I44-Y125 HydrophobicContact CD1-CE2 4.14Å; I44-C127 HydrophobicContact CB-CB 4.21Å; I44-C127 VanDerWaalsContact CB-SG 3.59Å; I44-C127 HydrophobicContact CG2-CB 3.82Å; I44-L135 HydrophobicContact CG2-CD2 3.54Å; I44-L135 HydrophobicContact CG2-CG 3.8Å; I44-T137 HydrophobicContact CG1-CG2 4.3Å; I44-T137 HydrophobicContact CG2-CG2 4.21Å
45	H	54.6	Low	33.7	Very low	108 Å²	108	115.6 Å²	115.6	50%	0.5	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-100.9	130.4	-174.4	-73.5	64.7	0	0	0	112.2	S43 A136	S43-H45 PolarHBondContact O-N 3.21Å; S43-H45 PolarHBondContact O-ND1 3.02Å; H45-A136 WeakPolarHBondContact O-CB 3.43Å; H45-A136 PolarHBondContact O-N 2.6Å
46	C	49.1	Very low	34	Very low	15 Å²	15	114.5 Å²	114.5	10%	0.101	60%	0.599	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.8	124.9	162.2	-68.4	0	0	0	0	109.5	S115 Q116 L128 C129 Y133 F134	C46-S115 PolarHBondContact N-OG 2.82Å; C46-Q116 HydrophobicContact CB-CB 4.38Å; C46-Q116 VanDerWaalsContact CB-CD 3.45Å; C46-Q116 HydrophobicContact CB-CG 3.9Å; C46-Q116 PolarHBondContact SG-OE1 3.14Å; C46-Q116 VanDerWaalsContact SG-OE1 3.34Å; C46-L128 PolarHBondContact SG-O 2.74Å; C46-C129 WeakPolarHBondContact CA-SG 3.4Å; C46-C129 HydrophobicContact CB-CB 3.78Å; C46-C129 WeakPolarHBondContact CB-SG 3.47Å; C46-C129 WeakPolarHBondContact SG-CA 3.5Å; C46-C129 WeakPolarHBondContact SG-CB 3.37Å; C46-C129 CovalentContact SG-SG 2.03Å; C46-C129 PolarHBondContact SG-SG 3.47Å; C46-Y133 HydrophobicContact CB-CD1 4.35Å; C46-F134 CarbonylContact C-O 3.48Å; C46-F134 WeakPolarHBondContact CA-O 3.46Å
47	R	50.2	Low	34.1	Very low	99 Å²	99	114.1 Å²	114.1	37%	0.374	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.3	131.1	177.8	-77.8	-179.5	-179.6	-156.8	1.5	110.4	N29 Y133 F134 A136	N29-R47 PolarHBondContact ND2-NH1 2.79Å; N29-R47 PolarHBondContact OD1-NH1 3.12Å; R47-Y133 VanDerWaalsContact O-CA 3.3Å; R47-Y133 WeakPolarHBondContact O-CA 3.15Å; R47-F134 HydrophobicContact CB-CD1 4.22Å; R47-F134 HydrophobicContact CB-CE1 3.7Å; R47-F134 HydrophobicContact CB-CE2 4.1Å; R47-F134 HydrophobicContact CB-CZ 3.64Å; R47-F134 PolarHBondContact N-O 2.96Å; R47-F134 WeakPolarHBondContact O-CD1 3.01Å; R47-F134 WeakPolarHBondContact O-CE1 3.03Å; R47-F134 PolarHBondContact O-N 3.28Å; R47-A136 HydrophobicContact CG-CB 3.88Å
48	L	41.5	Very low	34.4	Very low	87 Å²	87	108.6 Å²	108.6	46%	0.455	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-63.8	134.7	171.5	-168.3	88.6	0	0	0	108.8	K50 Y133	L48-K50 PolarHBondContact O-N 3.18Å; L48-K50 VanDerWaalsContact O-N 3.15Å; L48-Y133 HydrophobicContact CB-CD1 3.97Å; L48-Y133 HydrophobicContact CB-CE1 3.69Å; L48-Y133 HydrophobicContact CD1-CD1 4.2Å; L48-Y133 HydrophobicContact CD1-CD2 4.29Å; L48-Y133 HydrophobicContact CD1-CE1 3.58Å; L48-Y133 HydrophobicContact CD1-CE2 3.7Å; L48-Y133 WeakPolarHBondContact CD1-OH 3.28Å; L48-Y133 HydrophobicContact CG-CE1 4.26Å; L48-Y133 VanDerWaalsContact N-CD1 3.3Å
49	L	43.1	Very low	34.5	Very low	51 Å²	51	106.8 Å²	106.8	27%	0.267	60%	0.598	S	S	.	*			trans	-62.8	113.3	155	-125.1	85.5	0	0	0	107	I51 R132 F134	L49-I51 PolarHBondContact O-N 2.83Å; L49-R132 PolarHBondContact N-O 2.03Å; L49-F134 HydrophobicContact CD1-CD1 4.04Å; L49-F134 HydrophobicContact CD1-CE1 4.2Å
50	K	30.2	Very low	34.7	Very low	181 Å²	181	103 Å²	103	79%	0.787	59%	0.591	S	S	*	*			trans	-67.5	85	172.2	-90	-164	169.9	-163.2	0	109.6	L48	L48-K50 PolarHBondContact O-N 3.18Å; L48-K50 VanDerWaalsContact O-N 3.15Å
51	I	30	Very low	34.8	Very low	81 Å²	81	105.3 Å²	105.3	42%	0.415	60%	0.602	S	S	.	*			trans	-76.8	122.5	157.7	-56.8	177.4	0	0	0	105.4	L49 T53 E375	L49-I51 PolarHBondContact O-N 2.83Å; I51-T53 HydrophobicContact CG2-CG2 3.93Å; I51-T53 PolarHBondContact O-N 3.43Å; I51-E375 VanDerWaalsContact CG2-OE1 3.24Å; I51-E375 WeakPolarHBondContact CG2-OE1 3.37Å
52	A	26.5	Very low	35	Very low	88 Å²	88	104.5 Å²	104.5	73%	0.727	60%	0.598	S	S	*	*			trans	-83	66.2	-177.6	0	0	0	0	0	110.2	G54	A52-G54 PolarHBondContact O-N 2.94Å
53	T	29.9	Very low	34.6	Very low	112 Å²	112	103 Å²	103	69%	0.687	60%	0.602	S	S	*	*			trans	-63.9	107.4	177.4	53.4	0	0	0	0	110.1	I51	I51-T53 HydrophobicContact CG2-CG2 3.93Å; I51-T53 PolarHBondContact O-N 3.43Å
54	G	27.8	Very low	33.8	Very low	68 Å²	68	109.5 Å²	109.5	70%	0.701	63%	0.625	S	S	*	*			trans	-60.7	147	169.1	0	0	0	0	0	111.5	A52 V56	A52-G54 PolarHBondContact O-N 2.94Å; G54-V56 PolarHBondContact O-N 3.13Å
55	N	26.1	Very low	32.5	Very low	167 Å²	167	113 Å²	113	89%	0.893	65%	0.645	S	S	*	*			trans	-65.4	123.3	-174.1	-65.5	-40	0	0	0	112.7
56	V	29.7	Very low	31.4	Very low	147 Å²	147	113.9 Å²	113.9	89%	0.891	66%	0.66	S	S	*	*			trans	-134.4	122.4	144.9	-176.2	0	0	0	0	107.7	G54	G54-V56 PolarHBondContact O-N 3.13Å
57	A	24.2	Very low	30.4	Very low	83 Å²	83	121.7 Å²	121.7	69%	0.686	69%	0.692	S	S	*	*			trans	-93.9	140.9	177.9	0	0	0	0	0	110.9
58	T	26.8	Very low	29.3	Very low	130 Å²	130	128.7 Å²	128.7	80%	0.798	72%	0.719	S	S	*	*				179.2	140.5	120.9	32.3	0	0	0	0	114.1
59	T	27	Very low	28.7	Very low	136 Å²	136	129.2 Å²	129.2	83%	0.834	74%	0.735	S	S	*	*			trans	63.1	121.1	148.4	50.5	0	0	0	0	123.2
60	A	26	Very low	28.2	Very low	81 Å²	81	132 Å²	132	67%	0.669	76%	0.756	S	S	*	*			trans	-56.5	157.7	169.2	0	0	0	0	0	114.8
61	H	28	Very low	28	Very low	186 Å²	186	130 Å²	130	86%	0.861	75%	0.753	S	S	*	*				-161.2	159.9	76.7	-104.7	-97	0	0	0	113.6
62	P	30.6	Very low	27.9	Very low	106 Å²	106	135.8 Å²	135.8	69%	0.688	78%	0.775	S	S	*	*			trans	-97.8	165.4	179.1	38.8	-34.1	0	0	0	113.5
63	L	28.3	Very low	27.8	Very low	159 Å²	159	139.7 Å²	139.7	83%	0.832	78%	0.776	S	S	*	*			trans	178.4	127.1	136.8	-95.8	169.3	0	0	0	113.7
64	F	26.5	Very low	27.7	Very low	180 Å²	180	140.3 Å²	140.3	79%	0.789	78%	0.78	S	S	*	*			trans	53	105.8	147.8	-92.3	-111.3	0	0	0	124.8
65	N	26.7	Very low	27.6	Very low	108 Å²	108	149.1 Å²	149.1	58%	0.578	79%	0.792	S	S	*	*				56.7	128.3	112.5	-157.1	2.4	0	0	0	121.1
66	P	31.8	Very low	27.6	Very low	127 Å²	127	145.5 Å²	145.5	83%	0.825	78%	0.779	S	S	*	*				-136.9	158.5	122.8	36.2	-24.2	0	0	0	116.4
67	K	26.9	Very low	27.5	Very low	178 Å²	178	147 Å²	147	77%	0.774	78%	0.781	S	S	*	*			trans	-85.4	159.6	-178.6	-64	171.2	173.5	171.3	0	113.3
68	R	28.3	Very low	27.9	Very low	247 Å²	247	147.2 Å²	147.2	93%	0.932	78%	0.778	S	S	*	*			trans	78.4	118.2	159.8	-66.5	176.8	176.1	174.7	-1.6	118.5
69	A	29.1	Very low	28.1	Very low	97 Å²	97	150.1 Å²	150.1	80%	0.802	78%	0.782	S	S	*	*			trans	-122.7	163.2	151.1	0	0	0	0	0	108.7
70	P	31.7	Very low	28.2	Very low	110 Å²	110	150.7 Å²	150.7	71%	0.714	77%	0.774	S	S	*	*			trans	-132	132.3	152.3	19.9	0.9	0	0	0	114.9
71	I	26.5	Very low	28.5	Very low	139 Å²	139	152.5 Å²	152.5	71%	0.713	78%	0.778	S	S	*	*			trans	64.9	115.1	133.3	-54.7	164.8	0	0	0	118.5
72	F	28.4	Very low	28.7	Very low	202 Å²	202	149.3 Å²	149.3	89%	0.886	77%	0.772	S	S	*	*				-160.4	164.2	114.6	-111.5	-75.9	0	0	0	113.9
73	K	24.5	Very low	28.6	Very low	171 Å²	171	155.5 Å²	155.5	74%	0.743	78%	0.781	S	S	*	*			trans	-98	160.1	-164.4	-65.7	174.9	-179.6	173.2	0	112.3
74	T	26.1	Very low	28.5	Very low	124 Å²	124	151.9 Å²	151.9	76%	0.761	78%	0.775	S	S	*	*			cis	-174.7	145	-10	27	0	0	0	0	109.3
75	R	26.3	Very low	28.6	Very low	254 Å²	254	155.2 Å²	155.2	96%	0.958	78%	0.782	S	S	*	*				-177	155.1	126.5	-105.8	176.4	176	178.9	-1.9	113.6
76	S	26.5	Very low	28.6	Very low	90 Å²	90	155.9 Å²	155.9	63%	0.629	79%	0.79	S	S	*	*			trans	-124.8	148.8	-173.7	59.1	0	0	0	0	113.4
77	L	28	Very low	28.4	Very low	179 Å²	179	153 Å²	153	94%	0.937	78%	0.776	S	S	*	*			trans	-157.8	109.5	151.8	-92	164.3	0	0	0	104.8
78	S	32.6	Very low	28.5	Very low	88 Å²	88	152.4 Å²	152.4	62%	0.615	78%	0.781	S	S	*	*				-146.1	148.2	74.1	46.3	0	0	0	0	113.1
79	Q	29.3	Very low	28.6	Very low	190 Å²	190	150.7 Å²	150.7	89%	0.888	78%	0.776	S	S	*	*			trans	-107.6	132.4	165.9	-75.6	172.8	-45.1	0	0	108.5
80	F	30.2	Very low	28.7	Very low	149 Å²	149	150.5 Å²	150.5	65%	0.654	77%	0.769	S	S	*	*			trans	-109.6	114.2	162.6	-79.9	-77.8	0	0	0	108.4	V82	F80-V82 PolarHBondContact O-N 3.15Å; F80-V82 VanDerWaalsContact O-N 3.17Å
81	P	31.3	Very low	28.6	Very low	118 Å²	118	154.9 Å²	154.9	77%	0.766	78%	0.777	S	S	*	*			trans	-72.2	110.3	170.7	29	-31.1	0	0	0	108.4	R83	P81-R83 PolarHBondContact O-N 2.62Å
82	V	33.2	Very low	28.9	Very low	119 Å²	119	156.4 Å²	156.4	72%	0.721	79%	0.785	S	S	*	*			trans	-63.2	110.7	164.7	179.7	0	0	0	0	106.6	F80 A84	F80-V82 PolarHBondContact O-N 3.15Å; F80-V82 VanDerWaalsContact O-N 3.17Å; V82-A84 PolarHBondContact O-N 3.3Å; V82-A84 VanDerWaalsContact O-N 3.1Å
83	R	29.2	Very low	29.1	Very low	236 Å²	236	152 Å²	152	89%	0.891	78%	0.777	S	S	*	*			trans	-50.9	122.2	173.4	-90.1	-178.2	168.9	173.4	-4	108.3	P81 R85	P81-R83 PolarHBondContact O-N 2.62Å; R83-R85 PolarHBondContact O-N 2.78Å
84	A	25.8	Very low	29.5	Very low	84 Å²	84	155 Å²	155	69%	0.694	78%	0.784	S	S	*	*			trans	-49.5	126.1	171	0	0	0	0	0	109.1	V82 V86	V82-A84 PolarHBondContact O-N 3.3Å; V82-A84 VanDerWaalsContact O-N 3.1Å; A84-V86 PolarHBondContact O-N 3.47Å
85	R	28	Very low	29.9	Very low	249 Å²	249	157.3 Å²	157.3	94%	0.94	79%	0.791	S	S	*	*			trans	-64.8	93	155.9	-78.6	-174.4	177	-179.4	-0.2	106.1	R83 A87	R83-R85 PolarHBondContact O-N 2.78Å; R85-A87 VanDerWaalsContact C-N 3.3Å; R85-A87 PolarHBondContact O-N 2.67Å
86	V	27.4	Very low	30.1	Very low	123 Å²	123	152.6 Å²	152.6	75%	0.745	78%	0.784	S	S	*	*			trans	-59.3	102.8	160.9	176.2	0	0	0	0	105.1	A84 L88	A84-V86 PolarHBondContact O-N 3.47Å; V86-L88 PolarHBondContact O-N 3.16Å; V86-L88 VanDerWaalsContact O-N 3.14Å
87	A	27.8	Very low	30.3	Very low	65 Å²	65	156.7 Å²	156.7	54%	0.537	80%	0.796	S	S	.	*			trans	-66.3	113.6	171.2	0	0	0	0	0	106.9	R85 Y89	R85-A87 VanDerWaalsContact C-N 3.3Å; R85-A87 PolarHBondContact O-N 2.67Å; A87-Y89 HydrophobicContact CB-CD2 3.57Å; A87-Y89 HydrophobicContact CB-CE2 3.74Å; A87-Y89 PolarHBondContact O-N 2.83Å
88	L	27.6	Very low	30.5	Very low	166 Å²	166	155.3 Å²	155.3	87%	0.869	79%	0.788	S	S	*	*			trans	-68.1	72.5	168.1	-92.1	152.6	0	0	0	108.9	V86 S90	V86-L88 PolarHBondContact O-N 3.16Å; V86-L88 VanDerWaalsContact O-N 3.14Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 2.89Å
89	Y	29.9	Very low	30.8	Very low	212 Å²	212	160.6 Å²	160.6	83%	0.831	80%	0.801	S	S	*	*			trans	-83.6	82.7	162	-80.6	-73.2	0	0	0	108.3	A87 F91	A87-Y89 HydrophobicContact CB-CD2 3.57Å; A87-Y89 HydrophobicContact CB-CE2 3.74Å; A87-Y89 PolarHBondContact O-N 2.83Å; Y89-F91 PolarHBondContact O-N 3.16Å
90	S	31.5	Very low	31.3	Very low	93 Å²	93	157.5 Å²	157.5	65%	0.65	80%	0.798	S	S	*	*			trans	-58.1	125.3	161	50.2	0	0	0	0	109.8	L88	L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 2.89Å
91	F	30	Very low	32.5	Very low	201 Å²	201	162.1 Å²	162.1	88%	0.882	81%	0.812	S	S	*	*	S	Bend	trans	49.2	96.2	161.7	-69.6	-94.3	0	0	0	117.6	Y89	Y89-F91 PolarHBondContact O-N 3.16Å
92	L	33.4	Very low	34.5	Very low	171 Å²	171	164 Å²	164	90%	0.895	81%	0.813	S	S	*	*			trans	-164.6	122.8	136	-103.3	170.6	0	0	0	108.8
93	P	32.5	Very low	36.7	Very low	109 Å²	109	161.2 Å²	161.2	71%	0.708	80%	0.795	S	S	*	*			trans	-87.1	155	-179.9	34.4	-33.6	0	0	0	112.3
94	R	33.3	Very low	39.1	Very low	236 Å²	236	156 Å²	156	89%	0.891	78%	0.783	S	S	*	*			trans	78.5	98.8	175.8	-49.5	175.4	179	-172.6	-0.9	115.8
95	L	34.8	Very low	41.9	Very low	172 Å²	172	155.1 Å²	155.1	90%	0.901	77%	0.767	S	S	*	*				-170.6	135.8	106.4	-117.7	90.6	0	0	0	110.4
96	N	29.3	Very low	44.6	Very low	155 Å²	155	145.5 Å²	145.5	83%	0.829	73%	0.732	S	S	*	*			trans	-74	146.9	162.7	-79.9	-24.9	0	0	0	109.4
97	M	30.8	Very low	47.3	Very low	175 Å²	175	141 Å²	141	86%	0.862	71%	0.707	S	S	*	*				-178.6	147.8	129.4	-90.8	-115.7	-86.3	0	0	113.7
98	L	32.2	Very low	50	Low	150 Å²	150	142.5 Å²	142.5	79%	0.785	71%	0.713	S	S	*	*			trans	-42.8	130.5	175.7	-84.2	55.3	0	0	0	114.8
99	F	38.4	Very low	52.5	Low	199 Å²	199	137 Å²	137	87%	0.873	69%	0.688	S	S	*	*			trans	-144.7	108.4	143.5	-87.9	-78.9	0	0	0	109.7	R101	F99-R101 PolarHBondContact O-N 2.95Å
100	C	40.2	Very low	54.6	Low	125 Å²	125	132.2 Å²	132.2	85%	0.845	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-63.2	118	165.6	-74.3	0	0	0	0	108.2	I102	C100-I102 PolarHBondContact O-N 3Å
101	R	56.5	Low	56.7	Low	247 Å²	247	133.2 Å²	133.2	93%	0.932	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-68.4	117.4	-178.4	-70.9	-175.9	176.3	-170.7	-1.5	110	F99	F99-R101 PolarHBondContact O-N 2.95Å
102	I	71.8	Confident	58.6	Low	156 Å²	156	126.8 Å²	126.8	80%	0.8	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-62.6	139.8	161.9	-59.1	172.1	0	0	0	107.4	C100	C100-I102 PolarHBondContact O-N 3Å
103	D	80.7	Confident	60.4	Low	62 Å²	62	119.4 Å²	119.4	33%	0.332	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-61.4	138.3	174.5	-172.1	43.7	0	0	0	111	D105 N120 G123	D103-D105 PolarHBondContact O-N 2.59Å; D103-N120 PolarHBondContact OD2-ND2 3.5Å; D103-G123 PolarHBondContact OD1-N 2.69Å
104	I	78.5	Confident	62.4	Low	126 Å²	126	114.7 Å²	114.7	65%	0.646	60%	0.604	S	S	*	*			trans	-88.6	109.5	179.3	-60.6	174.7	0	0	0	107.3	E106 N120	I104-E106 HydrophobicContact CG2-CG 4.26Å; I104-E106 PolarHBondContact O-N 3.11Å; I104-N120 PolarHBondContact O-OD1 2.97Å
105	D	85.6	Confident	64.5	Low	65 Å²	65	106.2 Å²	106.2	35%	0.348	58%	0.582	S	S	.	*			trans	-69.9	91.8	172.8	-179	2.2	0	0	0	110.7	D103 C107 S108 N120	D103-D105 PolarHBondContact O-N 2.59Å; D105-C107 PolarHBondContact O-N 2.82Å; D105-C107 WeakPolarHBondContact OD1-CA 3.1Å; D105-C107 VanDerWaalsContact OD1-CB 3.24Å; D105-C107 WeakPolarHBondContact OD1-CB 3.25Å; D105-C107 PolarHBondContact OD1-N 2.93Å; D105-S108 PolarHBondContact O-N 3.21Å; D105-S108 VanDerWaalsContact O-N 3.16Å; D105-S108 PolarHBondContact OD1-N 2.95Å; D105-S108 VanDerWaalsContact OD2-CB 3.31Å; D105-S108 WeakPolarHBondContact OD2-CB 3.36Å; D105-S108 PolarHBondContact OD2-OG 3.21Å; D105-N120 WeakPolarHBondContact OD1-CB 3.27Å
106	E	84.3	Confident	66.4	Low	47 Å²	47	100.8 Å²	100.8	22%	0.22	55%	0.552	C	S	.	*	G	3₁₀ helix	trans	-68.3	-19.5	179.4	-59	113	154.2	0	0	112.3	I104 S108 S109 P113 Y125	I104-E106 HydrophobicContact CG2-CG 4.26Å; I104-E106 PolarHBondContact O-N 3.11Å; E106-S108 VanDerWaalsContact C-N 3.3Å; E106-S109 WeakPolarHBondContact O-CB 3.36Å; E106-S109 PolarHBondContact O-N 2.99Å; E106-S109 PolarHBondContact O-OG 2.86Å; E106-P113 HydrophobicContact CB-CG 4.17Å; E106-P113 WeakPolarHBondContact O-CD 3.28Å; E106-Y125 HydrophobicContact CB-CD1 3.72Å; E106-Y125 HydrophobicContact CB-CE1 4.44Å; E106-Y125 HydrophobicContact CB-CG 4.21Å; E106-Y125 HydrophobicContact CG-CD1 3.93Å; E106-Y125 WeakPolarHBondContact OE2-CD1 3.26Å; E106-Y125 PolarHBondContact OE2-N 2.83Å
107	C	84.7	Confident	68.8	Low	30 Å²	30	100 Å²	100	20%	0.203	54%	0.537	C	S	.	.	G	3₁₀ helix	trans	-74.1	-23.1	175.1	-56.5	0	0	0	0	112.7	D105 S109 C118 L119 N120	D105-C107 PolarHBondContact O-N 2.82Å; D105-C107 WeakPolarHBondContact OD1-CA 3.1Å; D105-C107 VanDerWaalsContact OD1-CB 3.24Å; D105-C107 WeakPolarHBondContact OD1-CB 3.25Å; D105-C107 PolarHBondContact OD1-N 2.93Å; C107-S109 VanDerWaalsContact C-N 3.33Å; C107-C118 WeakPolarHBondContact CA-SG 3.47Å; C107-C118 HydrophobicContact CB-CB 3.62Å; C107-C118 WeakPolarHBondContact CB-SG 3.24Å; C107-C118 WeakPolarHBondContact SG-CB 3.44Å; C107-C118 CovalentContact SG-SG 2.03Å; C107-C118 PolarHBondContact SG-SG 3.31Å; C107-L119 PolarHBondContact SG-N 2.78Å; C107-L119 VanDerWaalsContact SG-N 3.39Å; C107-N120 PolarHBondContact SG-N 3.41Å
108	S	84.9	Confident	71.2	Confident	96 Å²	96	93.2 Å²	93.2	67%	0.671	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-90	8.7	172.3	-68.1	0	0	0	0	113.6	D105 E106	D105-S108 PolarHBondContact O-N 3.21Å; D105-S108 VanDerWaalsContact O-N 3.16Å; D105-S108 PolarHBondContact OD1-N 2.95Å; D105-S108 VanDerWaalsContact OD2-CB 3.31Å; D105-S108 WeakPolarHBondContact OD2-CB 3.36Å; D105-S108 PolarHBondContact OD2-OG 3.21Å; E106-S108 VanDerWaalsContact C-N 3.3Å
109	S	78.6	Confident	73.8	Confident	50 Å²	50	90.3 Å²	90.3	35%	0.35	49%	0.491	S	S	.	.	S	Bend	trans	-72.9	150.7	175.2	67.4	0	0	0	0	112.7	E106 C107 V111 P112	E106-S109 WeakPolarHBondContact O-CB 3.36Å; E106-S109 PolarHBondContact O-N 2.99Å; E106-S109 PolarHBondContact O-OG 2.86Å; C107-S109 VanDerWaalsContact C-N 3.33Å; S109-V111 PolarHBondContact O-N 3.37Å; S109-V111 PolarHBondContact OG-O 3.25Å; S109-P112 WeakPolarHBondContact O-CD 3.38Å
110	A	74.7	Confident	76	Confident	111 Å²	111	83.6 Å²	83.6	92%	0.917	46%	0.464	S	S	*	.	S	Bend	trans	-60.7	-18.2	-177.8	0	0	0	0	0	114.5
111	V	75.2	Confident	77.9	Confident	114 Å²	114	79.8 Å²	79.8	69%	0.691	44%	0.438	S	S	*	.	S	Bend	trans	-130.7	94	168.3	-178.4	0	0	0	0	107.2	S109	S109-V111 PolarHBondContact O-N 3.37Å; S109-V111 PolarHBondContact OG-O 3.25Å
112	P	69.6	Low	79.1	Confident	66 Å²	66	72.9 Å²	72.9	43%	0.429	43%	0.433	S	S	.	.			trans	-56.1	140.3	-176.5	-27.9	35.6	0	0	0	112.2	S109 C114	S109-P112 WeakPolarHBondContact O-CD 3.38Å; P112-C114 PolarHBondContact O-N 3.22Å
113	P	72.5	Confident	79.1	Confident	16 Å²	16	68.4 Å²	68.4	10%	0.104	43%	0.426	C	S	.	.	S	Bend	trans	-74.8	-10.3	-174.2	30.9	-37.8	0	0	0	113.6	S43 I44 E106 Y125	S43-P113 CarbonylContact C-O 3.47Å; S43-P113 WeakPolarHBondContact CA-O 3.41Å; I44-P113 PolarHBondContact N-O 3.39Å; E106-P113 HydrophobicContact CB-CG 4.17Å; E106-P113 WeakPolarHBondContact O-CD 3.28Å; P113-Y125 HydrophobicContact CB-CD1 4.47Å; P113-Y125 HydrophobicContact CB-CD2 3.97Å; P113-Y125 HydrophobicContact CB-CE1 4Å; P113-Y125 HydrophobicContact CB-CE2 3.44Å; P113-Y125 VanDerWaalsContact CB-CE2 3.44Å; P113-Y125 HydrophobicContact CB-CG 4.46Å; P113-Y125 VanDerWaalsContact CB-CZ 3.45Å; P113-Y125 HydrophobicContact CG-CD1 4.02Å; P113-Y125 HydrophobicContact CG-CD2 3.51Å; P113-Y125 HydrophobicContact CG-CE1 4.06Å; P113-Y125 HydrophobicContact CG-CE2 3.56Å; P113-Y125 HydrophobicContact CG-CG 3.75Å
114	C	74	Confident	79.1	Confident	10 Å²	10	67 Å²	67	7%	0.068	42%	0.42	C	S	.	.	B	Isolated β-bridge	trans	-113.7	136.4	-178.3	-53	0	0	0	0	110.8	P112 Q116 R117 C118 C127	P112-C114 PolarHBondContact O-N 3.22Å; C114-Q116 VanDerWaalsContact C-N 3.29Å; C114-Q116 PolarHBondContact O-N 3.39Å; C114-R117 WeakPolarHBondContact CB-O 3.33Å; C114-C118 HydrophobicContact CB-CB 3.94Å; C114-C127 WeakPolarHBondContact CA-SG 3.45Å; C114-C127 HydrophobicContact CB-CB 3.61Å; C114-C127 WeakPolarHBondContact CB-SG 3.27Å; C114-C127 WeakPolarHBondContact SG-CA 3.35Å; C114-C127 WeakPolarHBondContact SG-CB 3.45Å; C114-C127 CovalentContact SG-SG 2.02Å; C114-C127 PolarHBondContact SG-SG 2.81Å
115	S	76.1	Confident	79.3	Confident	59 Å²	59	63.7 Å²	63.7	41%	0.413	40%	0.4	S	S	.	.	S	Bend	trans	-77.7	-6.2	-178.7	79.5	0	0	0	0	115.7	I44 C46	I44-S115 PolarHBondContact O-N 2.86Å; C46-S115 PolarHBondContact N-OG 2.82Å
116	Q	75.5	Confident	78.9	Confident	57 Å²	57	65.2 Å²	65.2	27%	0.266	40%	0.404	S	S	.	.	S	Bend	trans	-136.9	-87.3	178.3	-76.6	-179.4	-19.4	0	0	109.9	C46 C114 Y133	C46-Q116 HydrophobicContact CB-CB 4.38Å; C46-Q116 VanDerWaalsContact CB-CD 3.45Å; C46-Q116 HydrophobicContact CB-CG 3.9Å; C46-Q116 PolarHBondContact SG-OE1 3.14Å; C46-Q116 VanDerWaalsContact SG-OE1 3.34Å; C114-Q116 VanDerWaalsContact C-N 3.29Å; C114-Q116 PolarHBondContact O-N 3.39Å; Q116-Y133 VanDerWaalsContact NE2-CE1 3.3Å; Q116-Y133 VanDerWaalsContact NE2-CG 3.27Å
117	R	79	Confident	78.5	Confident	139 Å²	139	63.5 Å²	63.5	53%	0.525	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.5	-176.5	-68.5	172.9	63.8	176.5	3.4	110.4	C114 C127 L128 D130	C114-R117 WeakPolarHBondContact CB-O 3.33Å; R117-C127 CarbonylContact O-C 3.55Å; R117-C127 WeakPolarHBondContact O-CA 3.42Å; R117-L128 HydrophobicContact CB-CB 3.93Å; R117-L128 PolarHBondContact N-O 3.22Å; R117-L128 VanDerWaalsContact N-O 3.11Å; R117-L128 PolarHBondContact O-N 2.02Å; R117-D130 WeakPolarHBondContact CD-OD1 3.44Å; R117-D130 IonicContact NH1-OD1 2.71Å
118	C	81.9	Confident	77.9	Confident	33 Å²	33	65.5 Å²	65.5	22%	0.223	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.1	176.2	-169.7	0	0	0	0	109.4	C107 C114 K126	C107-C118 WeakPolarHBondContact CA-SG 3.47Å; C107-C118 HydrophobicContact CB-CB 3.62Å; C107-C118 WeakPolarHBondContact CB-SG 3.24Å; C107-C118 WeakPolarHBondContact SG-CB 3.44Å; C107-C118 CovalentContact SG-SG 2.03Å; C107-C118 PolarHBondContact SG-SG 3.31Å; C114-C118 HydrophobicContact CB-CB 3.94Å; C118-K126 CarbonylContact C-O 3.54Å
119	L	86.4	Confident	77.2	Confident	88 Å²	88	62.3 Å²	62.3	46%	0.461	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	114.7	172.6	-73.7	175.6	0	0	0	108.7	C107 Y125 K126 L128	C107-L119 PolarHBondContact SG-N 2.78Å; C107-L119 VanDerWaalsContact SG-N 3.39Å; L119-Y125 CarbonylContact O-C 3.57Å; L119-Y125 WeakPolarHBondContact O-CA 3.47Å; L119-K126 HydrophobicContact CB-CB 4.31Å; L119-K126 PolarHBondContact N-O 2.81Å; L119-K126 PolarHBondContact O-N 3.49Å; L119-L128 HydrophobicContact CD1-CD1 3.47Å; L119-L128 VanDerWaalsContact CD1-CD1 3.47Å; L119-L128 HydrophobicContact CD1-CG 4.12Å; L119-L128 HydrophobicContact CG-CD1 4.19Å
120	N	84.3	Confident	76.7	Confident	58 Å²	58	63.1 Å²	63.1	31%	0.31	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	145.9	173.8	-171	44.7	0	0	0	110.9	D103 I104 D105 C107	D103-N120 PolarHBondContact OD2-ND2 3.5Å; I104-N120 PolarHBondContact O-OD1 2.97Å; D105-N120 WeakPolarHBondContact OD1-CB 3.27Å; C107-N120 PolarHBondContact SG-N 3.41Å
121	T	81.6	Confident	75.6	Confident	46 Å²	46	66.5 Å²	66.5	28%	0.282	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	151.7	177.1	62.4	0	0	0	0	110	G123 S124 K126	T121-G123 PolarHBondContact O-N 3.13Å; T121-S124 CarbonylContact C-O 3.56Å; T121-S124 VanDerWaalsContact C-O 3.31Å; T121-S124 VanDerWaalsContact CA-O 3.28Å; T121-S124 WeakPolarHBondContact CA-O 3.48Å; T121-S124 WeakPolarHBondContact CB-O 3.3Å; T121-S124 PolarHBondContact N-O 3.29Å; T121-S124 CarbonylContact O-C 3.57Å; T121-S124 PolarHBondContact O-N 2.85Å; T121-S124 VanDerWaalsContact OG1-C 3.3Å; T121-S124 PolarHBondContact OG1-O 3.34Å; T121-K126 HydrophobicContact CG2-CD 4.22Å; T121-K126 HydrophobicContact CG2-CG 4.36Å
122	A	80.1	Confident	74.5	Confident	101 Å²	101	70.1 Å²	70.1	84%	0.835	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	108.7	-178.1	0	0	0	0	0	112.2
123	G	73.8	Confident	73.5	Confident	63 Å²	63	71.5 Å²	71.5	65%	0.649	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	9.5	-177.8	0	0	0	0	0	116.6	D103 T121	D103-G123 PolarHBondContact OD1-N 2.69Å; T121-G123 PolarHBondContact O-N 3.13Å
124	S	80.6	Confident	72.7	Confident	31 Å²	31	73.4 Å²	73.4	22%	0.217	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	174.9	179.6	-151.9	0	0	0	0	113.7	T121	T121-S124 CarbonylContact C-O 3.56Å; T121-S124 VanDerWaalsContact C-O 3.31Å; T121-S124 VanDerWaalsContact CA-O 3.28Å; T121-S124 WeakPolarHBondContact CA-O 3.48Å; T121-S124 WeakPolarHBondContact CB-O 3.3Å; T121-S124 PolarHBondContact N-O 3.29Å; T121-S124 CarbonylContact O-C 3.57Å; T121-S124 PolarHBondContact O-N 2.85Å; T121-S124 VanDerWaalsContact OG1-C 3.3Å; T121-S124 PolarHBondContact OG1-O 3.34Å
125	Y	81.8	Confident	71.7	Confident	58 Å²	58	75.7 Å²	75.7	23%	0.227	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	160.9	170.5	62.2	-83.3	0	0	0	112.1	I44 E106 P113 L119	I44-Y125 HydrophobicContact CD1-CE2 4.14Å; E106-Y125 HydrophobicContact CB-CD1 3.72Å; E106-Y125 HydrophobicContact CB-CE1 4.44Å; E106-Y125 HydrophobicContact CB-CG 4.21Å; E106-Y125 HydrophobicContact CG-CD1 3.93Å; E106-Y125 WeakPolarHBondContact OE2-CD1 3.26Å; E106-Y125 PolarHBondContact OE2-N 2.83Å; P113-Y125 HydrophobicContact CB-CD1 4.47Å; P113-Y125 HydrophobicContact CB-CD2 3.97Å; P113-Y125 HydrophobicContact CB-CE1 4Å; P113-Y125 HydrophobicContact CB-CE2 3.44Å; P113-Y125 VanDerWaalsContact CB-CE2 3.44Å; P113-Y125 HydrophobicContact CB-CG 4.46Å; P113-Y125 VanDerWaalsContact CB-CZ 3.45Å; P113-Y125 HydrophobicContact CG-CD1 4.02Å; P113-Y125 HydrophobicContact CG-CD2 3.51Å; P113-Y125 HydrophobicContact CG-CE1 4.06Å; P113-Y125 HydrophobicContact CG-CE2 3.56Å; P113-Y125 HydrophobicContact CG-CG 3.75Å; L119-Y125 CarbonylContact O-C 3.57Å; L119-Y125 WeakPolarHBondContact O-CA 3.47Å
126	K	77.6	Confident	70.5	Confident	96 Å²	96	74.7 Å²	74.7	42%	0.417	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.6	170.7	-69.4	178.3	-178.5	171.3	0	110.3	C118 L119 T121	C118-K126 CarbonylContact C-O 3.54Å; L119-K126 HydrophobicContact CB-CB 4.31Å; L119-K126 PolarHBondContact N-O 2.81Å; L119-K126 PolarHBondContact O-N 3.49Å; T121-K126 HydrophobicContact CG2-CD 4.22Å; T121-K126 HydrophobicContact CG2-CG 4.36Å
127	C	75.1	Confident	69.1	Low	11 Å²	11	74.5 Å²	74.5	7%	0.074	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	141.9	169.9	-55.6	0	0	0	0	110.8	I44 C114 R117 L135	I44-C127 HydrophobicContact CB-CB 4.21Å; I44-C127 VanDerWaalsContact CB-SG 3.59Å; I44-C127 HydrophobicContact CG2-CB 3.82Å; C114-C127 WeakPolarHBondContact CA-SG 3.45Å; C114-C127 HydrophobicContact CB-CB 3.61Å; C114-C127 WeakPolarHBondContact CB-SG 3.27Å; C114-C127 WeakPolarHBondContact SG-CA 3.35Å; C114-C127 WeakPolarHBondContact SG-CB 3.45Å; C114-C127 CovalentContact SG-SG 2.02Å; C114-C127 PolarHBondContact SG-SG 2.81Å; R117-C127 CarbonylContact O-C 3.55Å; R117-C127 WeakPolarHBondContact O-CA 3.42Å; C127-L135 HydrophobicContact CB-CD1 4.27Å; C127-L135 HydrophobicContact CB-CD2 4.37Å; C127-L135 VanDerWaalsContact O-CD1 3.28Å; C127-L135 WeakPolarHBondContact O-CD1 3.45Å
128	L	72.8	Confident	67.2	Low	72 Å²	72	76 Å²	76	38%	0.377	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	154.2	170.6	-65.4	179.8	0	0	0	109.1	C46 R117 L119	C46-L128 PolarHBondContact SG-O 2.74Å; R117-L128 HydrophobicContact CB-CB 3.93Å; R117-L128 PolarHBondContact N-O 3.22Å; R117-L128 VanDerWaalsContact N-O 3.11Å; R117-L128 PolarHBondContact O-N 2.02Å; L119-L128 HydrophobicContact CD1-CD1 3.47Å; L119-L128 VanDerWaalsContact CD1-CD1 3.47Å; L119-L128 HydrophobicContact CD1-CG 4.12Å; L119-L128 HydrophobicContact CG-CD1 4.19Å
129	C	69.7	Low	65.1	Low	29 Å²	29	77 Å²	77	20%	0.196	42%	0.417	C	S	.	.			trans	-111.8	152.3	173.6	-57.2	0	0	0	0	110.6	C46 Y133 L135	C46-C129 WeakPolarHBondContact CA-SG 3.4Å; C46-C129 HydrophobicContact CB-CB 3.78Å; C46-C129 WeakPolarHBondContact CB-SG 3.47Å; C46-C129 WeakPolarHBondContact SG-CA 3.5Å; C46-C129 WeakPolarHBondContact SG-CB 3.37Å; C46-C129 CovalentContact SG-SG 2.03Å; C46-C129 PolarHBondContact SG-SG 3.47Å; C129-Y133 WeakPolarHBondContact CB-O 3.37Å; C129-L135 VanDerWaalsContact SG-CD1 3.55Å; C129-L135 PolarHBondContact SG-N 3.29Å; C129-L135 VanDerWaalsContact SG-N 3.43Å
130	D	67.5	Low	63	Low	68 Å²	68	79.4 Å²	79.4	36%	0.364	42%	0.421	S	S	.	.			trans	-72.9	162	170.8	-63.5	-46.3	0	0	0	110.8	R117 R132 Y133	R117-D130 WeakPolarHBondContact CD-OD1 3.44Å; R117-D130 IonicContact NH1-OD1 2.71Å; D130-R132 PolarHBondContact O-N 3.39Å; D130-Y133 HydrophobicContact CB-CD2 4.44Å; D130-Y133 WeakPolarHBondContact O-CB 3.45Å; D130-Y133 PolarHBondContact O-N 3.28Å
131	E	53.3	Low	61.3	Low	182 Å²	182	79.2 Å²	79.2	85%	0.85	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	139.7	179.7	-61.8	-173.8	172.2	0	0	110.9
132	R	50.9	Low	59.8	Low	190 Å²	190	79.9 Å²	79.9	72%	0.717	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	-5.1	-169.1	-42.7	175.3	-156.3	-166.6	5.1	116.9	L49 D130	L49-R132 PolarHBondContact N-O 2.03Å; D130-R132 PolarHBondContact O-N 3.39Å
133	Y	48.4	Very low	58.6	Low	94 Å²	94	76.3 Å²	76.3	37%	0.369	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	149.9	174.8	-66.2	-104.1	0	0	0	112.1	C46 R47 L48 Q116 C129 D130	C46-Y133 HydrophobicContact CB-CD1 4.35Å; R47-Y133 VanDerWaalsContact O-CA 3.3Å; R47-Y133 WeakPolarHBondContact O-CA 3.15Å; L48-Y133 HydrophobicContact CB-CD1 3.97Å; L48-Y133 HydrophobicContact CB-CE1 3.69Å; L48-Y133 HydrophobicContact CD1-CD1 4.2Å; L48-Y133 HydrophobicContact CD1-CD2 4.29Å; L48-Y133 HydrophobicContact CD1-CE1 3.58Å; L48-Y133 HydrophobicContact CD1-CE2 3.7Å; L48-Y133 WeakPolarHBondContact CD1-OH 3.28Å; L48-Y133 HydrophobicContact CG-CE1 4.26Å; L48-Y133 VanDerWaalsContact N-CD1 3.3Å; Q116-Y133 VanDerWaalsContact NE2-CE1 3.3Å; Q116-Y133 VanDerWaalsContact NE2-CG 3.27Å; C129-Y133 WeakPolarHBondContact CB-O 3.37Å; D130-Y133 HydrophobicContact CB-CD2 4.44Å; D130-Y133 WeakPolarHBondContact O-CB 3.45Å; D130-Y133 PolarHBondContact O-N 3.28Å
134	F	55.7	Low	57.7	Low	56 Å²	56	79.3 Å²	79.3	25%	0.246	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.3	176.1	66.7	-85.4	0	0	0	112.2	C46 R47 L49 A136	C46-F134 CarbonylContact C-O 3.48Å; C46-F134 WeakPolarHBondContact CA-O 3.46Å; R47-F134 HydrophobicContact CB-CD1 4.22Å; R47-F134 HydrophobicContact CB-CE1 3.7Å; R47-F134 HydrophobicContact CB-CE2 4.1Å; R47-F134 HydrophobicContact CB-CZ 3.64Å; R47-F134 PolarHBondContact N-O 2.96Å; R47-F134 WeakPolarHBondContact O-CD1 3.01Å; R47-F134 WeakPolarHBondContact O-CE1 3.03Å; R47-F134 PolarHBondContact O-N 3.28Å; L49-F134 HydrophobicContact CD1-CD1 4.04Å; L49-F134 HydrophobicContact CD1-CE1 4.2Å; F134-A136 PolarHBondContact O-N 3.18Å
135	L	52.9	Low	56.6	Low	59 Å²	59	78.2 Å²	78.2	31%	0.309	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	121.3	172.4	-114.4	94.4	0	0	0	109.2	I44 C127 C129 T137	I44-L135 HydrophobicContact CG2-CD2 3.54Å; I44-L135 HydrophobicContact CG2-CG 3.8Å; C127-L135 HydrophobicContact CB-CD1 4.27Å; C127-L135 HydrophobicContact CB-CD2 4.37Å; C127-L135 VanDerWaalsContact O-CD1 3.28Å; C127-L135 WeakPolarHBondContact O-CD1 3.45Å; C129-L135 VanDerWaalsContact SG-CD1 3.55Å; C129-L135 PolarHBondContact SG-N 3.29Å; C129-L135 VanDerWaalsContact SG-N 3.43Å; L135-T137 WeakPolarHBondContact CD2-OG1 3.02Å; L135-T137 PolarHBondContact O-N 3.05Å; L135-T137 VanDerWaalsContact O-N 3.13Å
136	A	52.5	Low	55.5	Low	37 Å²	37	82.1 Å²	82.1	31%	0.306	40%	0.4	S	S	.	.			trans	-76.6	7.8	-178.4	0	0	0	0	0	114.6	H45 R47 F134	H45-A136 WeakPolarHBondContact O-CB 3.43Å; H45-A136 PolarHBondContact O-N 2.6Å; R47-A136 HydrophobicContact CG-CB 3.88Å; F134-A136 PolarHBondContact O-N 3.18Å
137	T	45.5	Very low	54.7	Low	54 Å²	54	81.9 Å²	81.9	33%	0.331	40%	0.399	S	S	.	.	S	Bend	trans	-81.7	135.4	167.7	52.2	0	0	0	0	109.4	I44 L135 G139	I44-T137 HydrophobicContact CG1-CG2 4.3Å; I44-T137 HydrophobicContact CG2-CG2 4.21Å; L135-T137 WeakPolarHBondContact CD2-OG1 3.02Å; L135-T137 PolarHBondContact O-N 3.05Å; L135-T137 VanDerWaalsContact O-N 3.13Å; T137-G139 VanDerWaalsContact C-N 3.31Å; T137-G139 PolarHBondContact O-N 3.23Å
138	Y	38.1	Very low	54.4	Low	171 Å²	171	81.8 Å²	81.8	67%	0.671	40%	0.397	S	S	*	.			trans	-43.4	77.3	-173.9	-57.6	-92.4	0	0	0	116	Y140	Y138-Y140 WeakPolarHBondContact O-CD2 3.04Å; Y138-Y140 PolarHBondContact O-N 3.38Å
139	G	39	Very low	54.3	Low	53 Å²	53	79.7 Å²	79.7	55%	0.546	39%	0.386	S	S	.	.			trans	-88.9	90.2	178.3	0	0	0	0	0	110.7	T137 F141	T137-G139 VanDerWaalsContact C-N 3.31Å; T137-G139 PolarHBondContact O-N 3.23Å; G139-F141 PolarHBondContact O-N 3.24Å
140	Y	42.2	Very low	54.7	Low	138 Å²	138	78.5 Å²	78.5	54%	0.541	38%	0.378	S	S	.	.			trans	-75.5	115	171.5	-55.2	-82.4	0	0	0	109.3	L26 Y138 S142	L26-Y140 HydrophobicContact CD2-CD1 4.12Å; L26-Y140 HydrophobicContact CD2-CE1 3.85Å; Y138-Y140 WeakPolarHBondContact O-CD2 3.04Å; Y138-Y140 PolarHBondContact O-N 3.38Å; Y140-S142 PolarHBondContact O-N 3.32Å
141	F	47.2	Very low	55.4	Low	54 Å²	54	75.3 Å²	75.3	24%	0.237	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	116	161.2	-170.1	-101.9	0	0	0	108	L25 G139 L143 I173	L25-F141 HydrophobicContact CB-CB 4.44Å; L25-F141 PolarHBondContact N-O 3.04Å; G139-F141 PolarHBondContact O-N 3.24Å; F141-L143 HydrophobicContact CD1-CB 4.48Å; F141-L143 HydrophobicContact CE1-CB 3.93Å; F141-L143 HydrophobicContact CE1-CD1 4.35Å; F141-L143 HydrophobicContact CZ-CD1 4.4Å; F141-I173 HydrophobicContact CZ-CD1 4.15Å
142	S	50.6	Low	56.8	Low	61 Å²	61	67.2 Å²	67.2	43%	0.427	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	106.6	178.3	-173.9	0	0	0	0	108.7	F23 Y140	F23-S142 WeakPolarHBondContact O-CA 3.28Å; Y140-S142 PolarHBondContact O-N 3.32Å
143	L	55.7	Low	58.4	Low	25 Å²	25	58.5 Å²	58.5	13%	0.131	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125	171.6	-167.2	70.9	0	0	0	108	F23 F141 V145 L160 Y162 I173	F23-L143 HydrophobicContact CB-CB 4.48Å; F23-L143 WeakPolarHBondContact CB-O 3.39Å; F23-L143 PolarHBondContact N-O 2.91Å; F23-L143 PolarHBondContact O-N 3.17Å; F23-L143 VanDerWaalsContact O-N 3.16Å; F141-L143 HydrophobicContact CD1-CB 4.48Å; F141-L143 HydrophobicContact CE1-CB 3.93Å; F141-L143 HydrophobicContact CE1-CD1 4.35Å; F141-L143 HydrophobicContact CZ-CD1 4.4Å; L143-V145 HydrophobicContact CD2-CG2 3.53Å; L143-V145 HydrophobicContact CG-CG2 3.68Å; L143-L160 HydrophobicContact CD2-CD2 4.18Å; L143-Y162 HydrophobicContact CD2-CD1 4Å; L143-Y162 HydrophobicContact CD2-CE1 3.62Å; L143-I173 HydrophobicContact CD1-CD1 4.17Å; L143-I173 HydrophobicContact CD2-CG2 4.25Å
144	M	53.9	Low	60.1	Low	126 Å²	126	54.1 Å²	54.1	62%	0.621	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	117	169.3	-60.2	-149.8	-170.3	0	0	108.3	I22	I22-M144 HydrophobicContact CD1-CE 3.56Å; I22-M144 HydrophobicContact CD1-SD 4.18Å; I22-M144 HydrophobicContact CG1-CE 3.79Å; I22-M144 HydrophobicContact CG1-CG 3.98Å; I22-M144 HydrophobicContact CG1-SD 3.8Å
145	V	57.9	Low	61.3	Low	9 Å²	9	52.7 Å²	52.7	6%	0.055	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.8	178.6	176.9	0	0	0	0	105.3	N21 L143 F147 L148 Y162 D164	N21-V145 PolarHBondContact N-O 2.81Å; N21-V145 PolarHBondContact O-N 2.94Å; N21-V145 VanDerWaalsContact O-O 3.07Å; L143-V145 HydrophobicContact CD2-CG2 3.53Å; L143-V145 HydrophobicContact CG-CG2 3.68Å; V145-F147 PolarHBondContact O-N 3.39Å; V145-L148 HydrophobicContact CB-CB 3.97Å; V145-L148 HydrophobicContact CG1-CB 3.99Å; V145-Y162 HydrophobicContact CG1-CD2 4.07Å; V145-Y162 HydrophobicContact CG1-CE2 4.03Å; V145-Y162 HydrophobicContact CG2-CD2 4.05Å; V145-Y162 HydrophobicContact CG2-CE2 3.79Å; V145-D164 HydrophobicContact CG1-CB 3.72Å; V145-D164 WeakPolarHBondContact CG1-OD2 3.41Å
146	K	58.1	Low	62.6	Low	140 Å²	140	57 Å²	57	61%	0.609	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-47.6	-165.5	-71.3	-177	179.1	177.3	0	111.5	A20 N21	A20-K146 HydrophobicContact CB-CB 4.49Å; A20-K146 HydrophobicContact CB-CG 4.16Å; N21-K146 PolarHBondContact N-O 3.14Å
147	F	62.5	Low	63.8	Low	91 Å²	91	57.5 Å²	57.5	40%	0.399	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	54	-175.7	-58	-82.3	0	0	0	111.6	V145 L149 V165	V145-F147 PolarHBondContact O-N 3.39Å; F147-L149 PolarHBondContact O-N 2.84Å; F147-V165 PolarHBondContact O-N 2.94Å; F147-V165 VanDerWaalsContact O-N 3.14Å
148	L	68.9	Low	65.5	Low	8 Å²	8	58.1 Å²	58.1	4%	0.042	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	111.3	168.8	-178.2	67	0	0	0	110.2	N21 F23 V145 A150 Y162	N21-L148 PolarHBondContact ND2-O 2.86Å; F23-L148 HydrophobicContact CB-CD2 3.71Å; F23-L148 HydrophobicContact CD2-CD2 3.53Å; F23-L148 HydrophobicContact CE2-CD2 4.42Å; F23-L148 HydrophobicContact CG-CD2 3.88Å; V145-L148 HydrophobicContact CB-CB 3.97Å; V145-L148 HydrophobicContact CG1-CB 3.99Å; L148-A150 WeakPolarHBondContact CD1-O 3.1Å; L148-Y162 HydrophobicContact CD1-CD2 4.4Å; L148-Y162 HydrophobicContact CD1-CG 4.37Å
149	L	70.2	Confident	67.8	Low	29 Å²	29	50.5 Å²	50.5	15%	0.152	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-39.6	168.8	-63.7	-168.6	0	0	0	112.4	F147 V165 Y363	F147-L149 PolarHBondContact O-N 2.84Å; L149-V165 HydrophobicContact CB-CG2 4.3Å; L149-V165 HydrophobicContact CD1-CB 4.42Å; L149-V165 HydrophobicContact CD1-CG2 3.75Å; L149-V165 HydrophobicContact CG-CG2 3.87Å; L149-Y363 HydrophobicContact CD2-CD1 3.97Å; L149-Y363 HydrophobicContact CD2-CE1 3.95Å
150	A	77.5	Confident	70.1	Confident	3 Å²	3	48.1 Å²	48.1	3%	0.025	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	141.1	-171.7	0	0	0	0	0	112.5	L148 V163 V194	L148-A150 WeakPolarHBondContact CD1-O 3.1Å; A150-V163 PolarHBondContact O-N 3.07Å; A150-V194 HydrophobicContact CB-CG1 4.15Å; A150-V194 HydrophobicContact CB-CG2 3.93Å
151	S	81.6	Confident	72.4	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	149.3	-177.9	69.8	0	0	0	0	111.8	F23 Y161 D364 K366	F23-S151 WeakPolarHBondContact CE2-OG 3.49Å; S151-Y161 WeakPolarHBondContact CA-O 3.24Å; S151-D364 PolarHBondContact N-OD2 3.42Å; S151-D364 VanDerWaalsContact O-OD2 3.07Å; S151-D364 PolarHBondContact OG-OD2 2.84Å; S151-K366 VanDerWaalsContact O-CE 3.29Å; S151-K366 WeakPolarHBondContact O-CE 3.34Å; S151-K366 WeakPolarHBondContact O-CG 3.42Å
152	V	84	Confident	74.5	Confident	12 Å²	12	39.3 Å²	39.3	7%	0.073	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	163.3	168.7	71.3	0	0	0	0	110.1	Y161 V194 V196 L203	V152-Y161 PolarHBondContact N-O 2.98Å; V152-Y161 PolarHBondContact O-N 3.37Å; V152-V194 HydrophobicContact CB-CG2 4.13Å; V152-V194 HydrophobicContact CG1-CG2 3.88Å; V152-V196 HydrophobicContact CG1-CB 3.89Å; V152-V196 HydrophobicContact CG1-CG2 3.5Å; V152-V196 HydrophobicContact CG2-CB 3.92Å; V152-V196 HydrophobicContact CG2-CG2 4.47Å; V152-L203 HydrophobicContact CG1-CD1 3.93Å
153	H	83.6	Confident	76.3	Confident	8 Å²	8	36.4 Å²	36.4	4%	0.037	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	166.3	-176.1	62.7	-81.9	0	0	0	112	M159 L160 F175 L367 Q373	H153-M159 CarbonylContact C-O 3.55Å; H153-M159 WeakPolarHBondContact CA-O 3.31Å; H153-M159 WeakPolarHBondContact CB-O 3.33Å; H153-L160 HydrophobicContact CB-CD1 4.39Å; H153-F175 HydrophobicContact CB-CE1 4Å; H153-F175 HydrophobicContact CB-CZ 3.83Å; H153-L367 PolarHBondContact CE1-O 3.18Å; H153-L367 PolarHBondContact NE2-O 3.22Å; H153-Q373 PolarHBondContact O-NE2 3.44Å
154	T	84.9	Confident	77.8	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.4	164.5	173.5	0	0	0	0	108.7	Q156 E157 Q158 M159 Y161	T154-Q156 VanDerWaalsContact C-N 3.34Å; T154-Q156 PolarHBondContact OG1-N 3.25Å; T154-E157 HydrophobicContact CG2-CB 3.57Å; T154-E157 HydrophobicContact CG2-CG 3.74Å; T154-Q158 WeakPolarHBondContact O-CA 3.37Å; T154-Q158 PolarHBondContact O-N 3Å; T154-Q158 VanDerWaalsContact O-N 3.13Å; T154-M159 HydrophobicContact CG2-CB 3.86Å; T154-M159 HydrophobicContact CG2-CG 4.45Å; T154-M159 PolarHBondContact N-O 2.82Å; T154-M159 PolarHBondContact O-N 3.05Å; T154-Y161 HydrophobicContact CG2-CE2 3.86Å
155	L	81.5	Confident	79.2	Confident	26 Å²	26	32.3 Å²	32.3	14%	0.136	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-28.7	176	-63.6	174.8	0	0	0	111.8	F175 H369 A370 Q373	L155-F175 HydrophobicContact CD2-CE2 4.14Å; L155-F175 HydrophobicContact CD2-CZ 4.47Å; L155-H369 WeakPolarHBondContact CD1-O 3.2Å; L155-A370 HydrophobicContact CD1-CB 4.49Å; L155-Q373 HydrophobicContact CD1-CB 4.24Å; L155-Q373 HydrophobicContact CD1-CG 4.35Å
156	Q	78.5	Confident	80.3	Confident	149 Å²	149	34.6 Å²	34.6	70%	0.696	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-43.1	-179	-169.1	-176.4	19.4	0	0	112.1	T154	T154-Q156 VanDerWaalsContact C-N 3.34Å; T154-Q156 PolarHBondContact OG1-N 3.25Å
157	E	78.2	Confident	81.6	Confident	49 Å²	49	30 Å²	30	23%	0.229	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-4.8	178.3	-40.3	-178.1	175.6	0	0	112.9	T154 M159 Y161 R201 L216	T154-E157 HydrophobicContact CG2-CB 3.57Å; T154-E157 HydrophobicContact CG2-CG 3.74Å; E157-M159 HydrophobicContact CB-CG 3.8Å; E157-M159 PolarHBondContact O-N 2.61Å; E157-Y161 PolarHBondContact OE2-OH 3.02Å; E157-R201 IonicContact OE1-CZ 3.04Å; E157-R201 IonicContact OE1-NE 2.68Å; E157-R201 PolarHBondContact OE1-NE 3.25Å; E157-R201 IonicContact OE1-NH2 2.69Å; E157-R201 PolarHBondContact OE1-NH2 3.02Å; E157-L216 WeakPolarHBondContact OE1-CD1 3.47Å
158	Q	81.7	Confident	82.9	Confident	66 Å²	66	28 Å²	28	31%	0.308	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	37.9	-171.8	-57.5	-171.2	-25.9	0	0	113.6	T154 K174 F175	T154-Q158 WeakPolarHBondContact O-CA 3.37Å; T154-Q158 PolarHBondContact O-N 3Å; T154-Q158 VanDerWaalsContact O-N 3.13Å; Q158-K174 CarbonylContact O-C 3.47Å; Q158-K174 WeakPolarHBondContact O-CA 3.4Å; Q158-F175 HydrophobicContact CB-CD2 3.79Å; Q158-F175 HydrophobicContact CB-CE2 4.32Å; Q158-F175 HydrophobicContact CB-CG 4.36Å; Q158-F175 HydrophobicContact CG-CD2 4.36Å; Q158-F175 WeakPolarHBondContact O-CG 3.42Å; Q158-F175 PolarHBondContact O-N 2.88Å
159	M	85.5	Confident	84	Confident	11 Å²	11	30 Å²	30	5%	0.054	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	135.5	-178.6	-60.6	-61.7	-65.8	0	0	111.3	H153 T154 E157 Y161 R172 I173 K174	H153-M159 CarbonylContact C-O 3.55Å; H153-M159 WeakPolarHBondContact CA-O 3.31Å; H153-M159 WeakPolarHBondContact CB-O 3.33Å; T154-M159 HydrophobicContact CG2-CB 3.86Å; T154-M159 HydrophobicContact CG2-CG 4.45Å; T154-M159 PolarHBondContact N-O 2.82Å; T154-M159 PolarHBondContact O-N 3.05Å; E157-M159 HydrophobicContact CB-CG 3.8Å; E157-M159 PolarHBondContact O-N 2.61Å; M159-Y161 HydrophobicContact CB-CD2 4.35Å; M159-Y161 HydrophobicContact CB-CE2 3.66Å; M159-R172 HydrophobicContact CE-CB 3.68Å; M159-R172 HydrophobicContact CE-CG 3.49Å; M159-R172 VanDerWaalsContact CE-CG 3.49Å; M159-I173 WeakPolarHBondContact CA-O 3.22Å; M159-K174 HydrophobicContact CE-CG 4.26Å; M159-K174 HydrophobicContact SD-CB 4.12Å; M159-K174 HydrophobicContact SD-CD 4.44Å; M159-K174 HydrophobicContact SD-CG 3.26Å; M159-K174 WeakPolarHBondContact SD-CG 3.28Å
160	L	88	Confident	85	Confident	4 Å²	4	28.7 Å²	28.7	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.7	159.9	179.3	70.8	0	0	0	108.2	F23 L143 H153 Y162 R172 I173 F175	F23-L160 HydrophobicContact CD1-CD2 4.07Å; F23-L160 HydrophobicContact CE1-CD1 3.95Å; F23-L160 HydrophobicContact CE1-CD2 3.85Å; F23-L160 HydrophobicContact CZ-CD1 4.07Å; L143-L160 HydrophobicContact CD2-CD2 4.18Å; H153-L160 HydrophobicContact CB-CD1 4.39Å; L160-Y162 HydrophobicContact CD2-CD1 4.43Å; L160-Y162 HydrophobicContact CG-CD1 4.45Å; L160-R172 CarbonylContact O-C 3.56Å; L160-R172 WeakPolarHBondContact O-CA 3.18Å; L160-I173 HydrophobicContact CB-CG2 3.98Å; L160-I173 HydrophobicContact CD2-CG2 4.18Å; L160-I173 PolarHBondContact N-O 3.34Å; L160-I173 PolarHBondContact O-N 2.03Å; L160-F175 HydrophobicContact CB-CD1 4.3Å; L160-F175 HydrophobicContact CB-CE1 4.07Å
161	Y	91.4	Very high	85.6	Confident	1 Å²	1	30 Å²	30	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.4	170.7	-63	-94.3	0	0	0	108.7	S151 V152 T154 E157 M159 E171 R172 I183 V196 L216	S151-Y161 WeakPolarHBondContact CA-O 3.24Å; V152-Y161 PolarHBondContact N-O 2.98Å; V152-Y161 PolarHBondContact O-N 3.37Å; T154-Y161 HydrophobicContact CG2-CE2 3.86Å; E157-Y161 PolarHBondContact OE2-OH 3.02Å; M159-Y161 HydrophobicContact CB-CD2 4.35Å; M159-Y161 HydrophobicContact CB-CE2 3.66Å; Y161-E171 WeakPolarHBondContact CA-O 3.3Å; Y161-R172 HydrophobicContact CD1-CB 3.68Å; Y161-R172 HydrophobicContact CE1-CB 3.76Å; Y161-R172 HydrophobicContact CE1-CG 4.31Å; Y161-R172 HydrophobicContact CG-CB 4.29Å; Y161-I183 HydrophobicContact CD1-CD1 3.54Å; Y161-I183 HydrophobicContact CE1-CD1 3.75Å; Y161-V196 HydrophobicContact CD2-CG2 3.98Å; Y161-V196 HydrophobicContact CE2-CG2 4.3Å; Y161-V196 HydrophobicContact CG-CG2 4.47Å; Y161-L216 HydrophobicContact CE1-CB 4.34Å; Y161-L216 HydrophobicContact CE1-CD2 4.46Å; Y161-L216 WeakPolarHBondContact CE1-O 3.41Å; Y161-L216 HydrophobicContact CE2-CD2 4.47Å
162	Y	89.9	Confident	86	Confident	6 Å²	6	32.7 Å²	32.7	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	153.1	-178.6	65.3	-92.5	0	0	0	112.7	L143 V145 L148 L160 E171 I173 P180	L143-Y162 HydrophobicContact CD2-CD1 4Å; L143-Y162 HydrophobicContact CD2-CE1 3.62Å; V145-Y162 HydrophobicContact CG1-CD2 4.07Å; V145-Y162 HydrophobicContact CG1-CE2 4.03Å; V145-Y162 HydrophobicContact CG2-CD2 4.05Å; V145-Y162 HydrophobicContact CG2-CE2 3.79Å; L148-Y162 HydrophobicContact CD1-CD2 4.4Å; L148-Y162 HydrophobicContact CD1-CG 4.37Å; L160-Y162 HydrophobicContact CD2-CD1 4.43Å; L160-Y162 HydrophobicContact CG-CD1 4.45Å; Y162-E171 HydrophobicContact CD1-CB 4.5Å; Y162-E171 HydrophobicContact CD2-CB 4.31Å; Y162-E171 HydrophobicContact CE1-CB 3.96Å; Y162-E171 HydrophobicContact CE2-CB 3.72Å; Y162-E171 HydrophobicContact CE2-CG 4.16Å; Y162-E171 WeakPolarHBondContact CE2-OE2 3.34Å; Y162-E171 PolarHBondContact N-O 3.28Å; Y162-E171 PolarHBondContact O-N 2.84Å; Y162-E171 PolarHBondContact OH-OE2 3.43Å; Y162-I173 HydrophobicContact CD1-CG2 4.45Å; Y162-I173 HydrophobicContact CE1-CB 4.41Å; Y162-I173 HydrophobicContact CE1-CG2 3.96Å; Y162-P180 VanDerWaalsContact OH-CB 3.28Å; Y162-P180 WeakPolarHBondContact OH-CB 3.45Å; Y162-P180 VanDerWaalsContact OH-CG 3.25Å; Y162-P180 WeakPolarHBondContact OH-CG 3.42Å
163	V	89.7	Confident	86.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.6	174.7	174.7	0	0	0	0	109	A150 V165 L170 I188 T191 V194	A150-V163 PolarHBondContact O-N 3.07Å; V163-V165 HydrophobicContact CG1-CG2 3.71Å; V163-L170 HydrophobicContact CG2-CD1 3.83Å; V163-I188 HydrophobicContact CB-CG2 4.43Å; V163-I188 HydrophobicContact CG1-CG2 3.49Å; V163-I188 VanDerWaalsContact CG1-CG2 3.49Å; V163-I188 HydrophobicContact CG2-CG2 4.12Å; V163-T191 HydrophobicContact CG2-CG2 4.11Å; V163-V194 HydrophobicContact CG2-CG1 3.83Å
164	D	87.2	Confident	86	Confident	19 Å²	19	37.7 Å²	37.7	10%	0.102	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	104.2	163.4	-169.3	-36.4	0	0	0	108.2	V145 G166 A167 D168 K169	V145-D164 HydrophobicContact CG1-CB 3.72Å; V145-D164 WeakPolarHBondContact CG1-OD2 3.41Å; D164-G166 VanDerWaalsContact C-N 3.3Å; D164-G166 PolarHBondContact O-N 2.99Å; D164-G166 PolarHBondContact OD1-N 3.28Å; D164-A167 HydrophobicContact CB-CB 4.07Å; D164-A167 PolarHBondContact O-N 3.35Å; D164-A167 PolarHBondContact OD1-N 2.81Å; D164-A167 VanDerWaalsContact OD1-N 3.08Å; D164-D168 PolarHBondContact O-N 3.16Å; D164-D168 VanDerWaalsContact O-N 3.12Å; D164-K169 PolarHBondContact N-O 3.35Å; D164-K169 PolarHBondContact O-N 2.89Å; D164-K169 VanDerWaalsContact O-N 3.1Å
165	V	82	Confident	85.5	Confident	46 Å²	46	38.7 Å²	38.7	28%	0.279	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-27.9	-176.6	178.4	0	0	0	0	111.9	F147 L149 V163 A167 D168	F147-V165 PolarHBondContact O-N 2.94Å; F147-V165 VanDerWaalsContact O-N 3.14Å; L149-V165 HydrophobicContact CB-CG2 4.3Å; L149-V165 HydrophobicContact CD1-CB 4.42Å; L149-V165 HydrophobicContact CD1-CG2 3.75Å; L149-V165 HydrophobicContact CG-CG2 3.87Å; V163-V165 HydrophobicContact CG1-CG2 3.71Å; V165-A167 VanDerWaalsContact C-N 3.35Å; V165-D168 PolarHBondContact O-N 3.02Å
166	G	80.5	Confident	84.8	Confident	57 Å²	57	44.5 Å²	44.5	59%	0.588	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-21.1	178.1	0	0	0	0	0	113.3	D164	D164-G166 VanDerWaalsContact C-N 3.3Å; D164-G166 PolarHBondContact O-N 2.99Å; D164-G166 PolarHBondContact OD1-N 3.28Å
167	A	86.3	Confident	83.9	Confident	44 Å²	44	39 Å²	39	36%	0.364	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-6	171.3	0	0	0	0	0	113.8	D164 V165 K169	D164-A167 HydrophobicContact CB-CB 4.07Å; D164-A167 PolarHBondContact O-N 3.35Å; D164-A167 PolarHBondContact OD1-N 2.81Å; D164-A167 VanDerWaalsContact OD1-N 3.08Å; V165-A167 VanDerWaalsContact C-N 3.35Å; A167-K169 VanDerWaalsContact C-N 3.27Å; A167-K169 HydrophobicContact CB-CB 4.29Å; A167-K169 HydrophobicContact CB-CD 4Å; A167-K169 HydrophobicContact CB-CG 4.31Å; A167-K169 WeakPolarHBondContact O-CG 3.44Å; A167-K169 PolarHBondContact O-N 2.91Å
168	D	89.9	Confident	83	Confident	48 Å²	48	40.7 Å²	40.7	26%	0.257	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	41.8	-169	-164.8	14.4	0	0	0	113.3	D164 V165 G186 G187 I188 A189	D164-D168 PolarHBondContact O-N 3.16Å; D164-D168 VanDerWaalsContact O-N 3.12Å; V165-D168 PolarHBondContact O-N 3.02Å; D168-G186 WeakPolarHBondContact O-CA 3.17Å; D168-G186 PolarHBondContact O-N 3.02Å; D168-G186 WeakPolarHBondContact OD2-CA 3.2Å; D168-G187 PolarHBondContact OD1-N 3.2Å; D168-G187 PolarHBondContact OD2-N 3.39Å; D168-I188 VanDerWaalsContact OD1-C 3.32Å; D168-I188 VanDerWaalsContact OD1-CA 3.3Å; D168-I188 WeakPolarHBondContact OD1-CA 3.4Å; D168-I188 WeakPolarHBondContact OD1-CB 3.47Å; D168-I188 PolarHBondContact OD1-N 3.19Å; D168-A189 PolarHBondContact OD1-N 3.45Å
169	K	91.1	Very high	82.8	Confident	50 Å²	50	45.5 Å²	45.5	22%	0.217	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.1	-173.9	-76	167.6	-164.9	-99.6	0	112.8	D164 A167 E171 T182 Q184 D185	D164-K169 PolarHBondContact N-O 3.35Å; D164-K169 PolarHBondContact O-N 2.89Å; D164-K169 VanDerWaalsContact O-N 3.1Å; A167-K169 VanDerWaalsContact C-N 3.27Å; A167-K169 HydrophobicContact CB-CB 4.29Å; A167-K169 HydrophobicContact CB-CD 4Å; A167-K169 HydrophobicContact CB-CG 4.31Å; A167-K169 WeakPolarHBondContact O-CG 3.44Å; A167-K169 PolarHBondContact O-N 2.91Å; K169-E171 HydrophobicContact CB-CG 4.01Å; K169-T182 HydrophobicContact CB-CG2 4.46Å; K169-T182 HydrophobicContact CD-CG2 4.32Å; K169-T182 HydrophobicContact CG-CG2 4.11Å; K169-Q184 WeakPolarHBondContact CA-O 3.25Å; K169-D185 WeakPolarHBondContact CE-OD1 3.3Å; K169-D185 IonicContact NZ-OD1 2.92Å; K169-D185 PolarHBondContact NZ-OD1 3.3Å; K169-D185 IonicContact NZ-OD2 3.36Å; K169-D185 PolarHBondContact NZ-OD2 3.06Å
170	L	92	Very high	82.8	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.2	161.1	173.1	71	0	0	0	107.6	V163 I183 Q184 I188 L203 M205	V163-L170 HydrophobicContact CG2-CD1 3.83Å; L170-I183 HydrophobicContact CD2-CB 4.02Å; L170-I183 HydrophobicContact CD2-CD1 4.14Å; L170-I183 HydrophobicContact CD2-CG2 3.8Å; L170-I183 HydrophobicContact CG-CB 4.08Å; L170-I183 HydrophobicContact CG-CD1 3.98Å; L170-I183 HydrophobicContact CG-CG2 4.42Å; L170-I183 WeakPolarHBondContact O-CB 3.41Å; L170-I183 PolarHBondContact O-N 3.11Å; L170-Q184 HydrophobicContact CB-CB 4.21Å; L170-Q184 PolarHBondContact N-O 3.46Å; L170-Q184 VanDerWaalsContact N-O 3.09Å; L170-Q184 PolarHBondContact O-N 3.47Å; L170-I188 HydrophobicContact CB-CD1 3.86Å; L170-I188 HydrophobicContact CB-CG1 3.91Å; L170-L203 HydrophobicContact CD1-CD2 3.87Å; L170-L203 HydrophobicContact CD2-CD2 3.52Å; L170-L203 HydrophobicContact CG-CD2 4.32Å; L170-M205 HydrophobicContact CD1-SD 4.5Å; L170-M205 HydrophobicContact CD2-SD 4.16Å
171	E	90.8	Very high	82.8	Confident	31 Å²	31	52 Å²	52	15%	0.145	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	161.2	-177	-54.7	-156.2	108.6	0	0	111.8	Y161 Y162 K169 Q181 T182	Y161-E171 WeakPolarHBondContact CA-O 3.3Å; Y162-E171 HydrophobicContact CD1-CB 4.5Å; Y162-E171 HydrophobicContact CD2-CB 4.31Å; Y162-E171 HydrophobicContact CE1-CB 3.96Å; Y162-E171 HydrophobicContact CE2-CB 3.72Å; Y162-E171 HydrophobicContact CE2-CG 4.16Å; Y162-E171 WeakPolarHBondContact CE2-OE2 3.34Å; Y162-E171 PolarHBondContact N-O 3.28Å; Y162-E171 PolarHBondContact O-N 2.84Å; Y162-E171 PolarHBondContact OH-OE2 3.43Å; K169-E171 HydrophobicContact CB-CG 4.01Å; E171-Q181 CarbonylContact C-O 3.6Å; E171-Q181 WeakPolarHBondContact CA-O 3.32Å; E171-T182 PolarHBondContact OE1-OG1 2.87Å
172	R	90	Very high	82.8	Confident	57 Å²	57	55.1 Å²	55.1	22%	0.215	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.2	170.9	65.4	-179.2	-167.6	-158.4	-2.2	111.9	M159 L160 Y161 Q181 I183 L216	M159-R172 HydrophobicContact CE-CB 3.68Å; M159-R172 HydrophobicContact CE-CG 3.49Å; M159-R172 VanDerWaalsContact CE-CG 3.49Å; L160-R172 CarbonylContact O-C 3.56Å; L160-R172 WeakPolarHBondContact O-CA 3.18Å; Y161-R172 HydrophobicContact CD1-CB 3.68Å; Y161-R172 HydrophobicContact CE1-CB 3.76Å; Y161-R172 HydrophobicContact CE1-CG 4.31Å; Y161-R172 HydrophobicContact CG-CB 4.29Å; R172-Q181 HydrophobicContact CG-CB 4.04Å; R172-Q181 PolarHBondContact N-O 2.84Å; R172-Q181 PolarHBondContact O-N 3.11Å; R172-I183 HydrophobicContact CB-CD1 3.79Å; R172-I183 HydrophobicContact CB-CG1 4.38Å; R172-I183 HydrophobicContact CG-CD1 3.83Å; R172-I183 HydrophobicContact CG-CG1 3.91Å; R172-L216 PolarHBondContact NH1-O 2.69Å
173	I	85.6	Confident	82.9	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.036	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	141.1	177.6	-169.3	166.2	0	0	0	110	F141 L143 M159 L160 Y162 P180	F141-I173 HydrophobicContact CZ-CD1 4.15Å; L143-I173 HydrophobicContact CD1-CD1 4.17Å; L143-I173 HydrophobicContact CD2-CG2 4.25Å; M159-I173 WeakPolarHBondContact CA-O 3.22Å; L160-I173 HydrophobicContact CB-CG2 3.98Å; L160-I173 HydrophobicContact CD2-CG2 4.18Å; L160-I173 PolarHBondContact N-O 3.34Å; L160-I173 PolarHBondContact O-N 2.03Å; Y162-I173 HydrophobicContact CD1-CG2 4.45Å; Y162-I173 HydrophobicContact CE1-CB 4.41Å; Y162-I173 HydrophobicContact CE1-CG2 3.96Å; I173-P180 HydrophobicContact CD1-CG 4.18Å
174	K	81.5	Confident	82.9	Confident	119 Å²	119	57.8 Å²	57.8	52%	0.517	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	140.9	169.8	-73.9	-178.9	176.2	-171.3	0	109.1	Q158 M159 Y176 G177	Q158-K174 CarbonylContact O-C 3.47Å; Q158-K174 WeakPolarHBondContact O-CA 3.4Å; M159-K174 HydrophobicContact CE-CG 4.26Å; M159-K174 HydrophobicContact SD-CB 4.12Å; M159-K174 HydrophobicContact SD-CD 4.44Å; M159-K174 HydrophobicContact SD-CG 3.26Å; M159-K174 WeakPolarHBondContact SD-CG 3.28Å; K174-Y176 PolarHBondContact O-N 3.49Å; K174-G177 PolarHBondContact O-N 3.01Å
175	F	74.5	Confident	83.1	Confident	21 Å²	21	62.2 Å²	62.2	9%	0.092	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-30	169.7	-60.7	-25.9	0	0	0	112.2	H153 L155 Q158 L160	H153-F175 HydrophobicContact CB-CE1 4Å; H153-F175 HydrophobicContact CB-CZ 3.83Å; L155-F175 HydrophobicContact CD2-CE2 4.14Å; L155-F175 HydrophobicContact CD2-CZ 4.47Å; Q158-F175 HydrophobicContact CB-CD2 3.79Å; Q158-F175 HydrophobicContact CB-CE2 4.32Å; Q158-F175 HydrophobicContact CB-CG 4.36Å; Q158-F175 HydrophobicContact CG-CD2 4.36Å; Q158-F175 WeakPolarHBondContact O-CG 3.42Å; Q158-F175 PolarHBondContact O-N 2.88Å; L160-F175 HydrophobicContact CB-CD1 4.3Å; L160-F175 HydrophobicContact CB-CE1 4.07Å
176	Y	66.3	Low	83.4	Confident	148 Å²	148	61.2 Å²	61.2	58%	0.58	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	70.9	173.9	-48.9	-73.3	0	0	0	109.5	K174	K174-Y176 PolarHBondContact O-N 3.49Å
177	G	60.5	Low	83.7	Confident	33 Å²	33	60.1 Å²	60.1	34%	0.34	33%	0.33	S	S	.	.			trans	-145.3	150.8	178.8	0	0	0	0	0	112.5	K174	K174-G177 PolarHBondContact O-N 3.01Å
178	A	59.2	Low	83.7	Confident	85 Å²	85	58.1 Å²	58.1	70%	0.702	31%	0.313	S	S	*	.	S	Bend	trans	-85.4	-19.6	-172	0	0	0	0	0	114.8
179	F	76.9	Confident	83.5	Confident	167 Å²	167	58.5 Å²	58.5	73%	0.732	32%	0.323	S	S	*	.	S	Bend	trans	-146.9	147	-176.7	-60.6	-75.1	0	0	0	112.2
180	P	84.4	Confident	83.3	Confident	56 Å²	56	57.6 Å²	57.6	36%	0.364	33%	0.328	S	S	.	.			trans	-60.5	158.3	165.4	-21.8	33.5	0	0	0	113.4	Y162 I173	Y162-P180 VanDerWaalsContact OH-CB 3.28Å; Y162-P180 WeakPolarHBondContact OH-CB 3.45Å; Y162-P180 VanDerWaalsContact OH-CG 3.25Å; Y162-P180 WeakPolarHBondContact OH-CG 3.42Å; I173-P180 HydrophobicContact CD1-CG 4.18Å
181	Q	88.8	Confident	83.2	Confident	97 Å²	97	57.6 Å²	57.6	45%	0.453	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.4	166.2	-63.1	-179	-12.4	0	0	108.2	E171 R172 I183	E171-Q181 CarbonylContact C-O 3.6Å; E171-Q181 WeakPolarHBondContact CA-O 3.32Å; R172-Q181 HydrophobicContact CG-CB 4.04Å; R172-Q181 PolarHBondContact N-O 2.84Å; R172-Q181 PolarHBondContact O-N 3.11Å; Q181-I183 PolarHBondContact O-N 3.34Å
182	T	91.5	Very high	83.1	Confident	66 Å²	66	58.2 Å²	58.2	41%	0.405	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	128.6	171.4	-47.1	0	0	0	0	109.6	K169 E171 Q184 D185	K169-T182 HydrophobicContact CB-CG2 4.46Å; K169-T182 HydrophobicContact CD-CG2 4.32Å; K169-T182 HydrophobicContact CG-CG2 4.11Å; E171-T182 PolarHBondContact OE1-OG1 2.87Å; T182-Q184 WeakPolarHBondContact CG2-O 3.2Å; T182-D185 HydrophobicContact CG2-CB 4.12Å
183	I	92.4	Very high	83.2	Confident	29 Å²	29	55.7 Å²	55.7	15%	0.149	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-45.3	174.9	-66.1	161.5	0	0	0	110.1	Y161 L170 R172 Q181	Y161-I183 HydrophobicContact CD1-CD1 3.54Å; Y161-I183 HydrophobicContact CE1-CD1 3.75Å; L170-I183 HydrophobicContact CD2-CB 4.02Å; L170-I183 HydrophobicContact CD2-CD1 4.14Å; L170-I183 HydrophobicContact CD2-CG2 3.8Å; L170-I183 HydrophobicContact CG-CB 4.08Å; L170-I183 HydrophobicContact CG-CD1 3.98Å; L170-I183 HydrophobicContact CG-CG2 4.42Å; L170-I183 WeakPolarHBondContact O-CB 3.41Å; L170-I183 PolarHBondContact O-N 3.11Å; R172-I183 HydrophobicContact CB-CD1 3.79Å; R172-I183 HydrophobicContact CB-CG1 4.38Å; R172-I183 HydrophobicContact CG-CD1 3.83Å; R172-I183 HydrophobicContact CG-CG1 3.91Å; Q181-I183 PolarHBondContact O-N 3.34Å
184	Q	90.4	Very high	83.6	Confident	32 Å²	32	55.5 Å²	55.5	15%	0.15	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	130.6	177.5	-164.1	-174.7	-53	0	0	108.6	K169 L170 T182 G186 G187 I188	K169-Q184 WeakPolarHBondContact CA-O 3.25Å; L170-Q184 HydrophobicContact CB-CB 4.21Å; L170-Q184 PolarHBondContact N-O 3.46Å; L170-Q184 VanDerWaalsContact N-O 3.09Å; L170-Q184 PolarHBondContact O-N 3.47Å; T182-Q184 WeakPolarHBondContact CG2-O 3.2Å; Q184-G186 PolarHBondContact NE2-O 2.75Å; Q184-G187 VanDerWaalsContact NE2-C 3.34Å; Q184-G187 PolarHBondContact NE2-O 3.05Å; Q184-I188 HydrophobicContact CB-CD1 4.08Å; Q184-I188 HydrophobicContact CB-CG1 4.08Å; Q184-I188 VanDerWaalsContact CD-CD1 3.42Å; Q184-I188 HydrophobicContact CG-CD1 4.23Å; Q184-I188 HydrophobicContact CG-CG1 4.21Å
185	D	89.8	Confident	84.3	Confident	112 Å²	112	50 Å²	50	60%	0.599	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	110.8	177	-156.8	-11.7	0	0	0	108.3	K169 T182	K169-D185 WeakPolarHBondContact CE-OD1 3.3Å; K169-D185 IonicContact NZ-OD1 2.92Å; K169-D185 PolarHBondContact NZ-OD1 3.3Å; K169-D185 IonicContact NZ-OD2 3.36Å; K169-D185 PolarHBondContact NZ-OD2 3.06Å; T182-D185 HydrophobicContact CG2-CB 4.12Å
186	G	89.8	Confident	85.3	Confident	26 Å²	26	49 Å²	49	27%	0.268	29%	0.294	S	S	.	.	S	Bend	trans	82.6	152.4	-173.7	0	0	0	0	0	114.4	D168 Q184	D168-G186 WeakPolarHBondContact O-CA 3.17Å; D168-G186 PolarHBondContact O-N 3.02Å; D168-G186 WeakPolarHBondContact OD2-CA 3.2Å; Q184-G186 PolarHBondContact NE2-O 2.75Å
187	G	85.1	Confident	86.6	Confident	33 Å²	33	42 Å²	42	34%	0.34	27%	0.267	S	S	.	.	S	Bend	trans	72.1	29	174.2	0	0	0	0	0	114.2	D168 Q184 K207	D168-G187 PolarHBondContact OD1-N 3.2Å; D168-G187 PolarHBondContact OD2-N 3.39Å; Q184-G187 VanDerWaalsContact NE2-C 3.34Å; Q184-G187 PolarHBondContact NE2-O 3.05Å; G187-K207 WeakPolarHBondContact O-CE 3.17Å; G187-K207 PolarHBondContact O-NZ 3.4Å
188	I	87.8	Confident	88	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.01	26%	0.255	C	S	.	.			trans	-106.6	-15.5	169.9	-66.9	-64.7	0	0	0	111.2	V163 D168 L170 Q184 G190 T191 M205	V163-I188 HydrophobicContact CB-CG2 4.43Å; V163-I188 HydrophobicContact CG1-CG2 3.49Å; V163-I188 VanDerWaalsContact CG1-CG2 3.49Å; V163-I188 HydrophobicContact CG2-CG2 4.12Å; D168-I188 VanDerWaalsContact OD1-C 3.32Å; D168-I188 VanDerWaalsContact OD1-CA 3.3Å; D168-I188 WeakPolarHBondContact OD1-CA 3.4Å; D168-I188 WeakPolarHBondContact OD1-CB 3.47Å; D168-I188 PolarHBondContact OD1-N 3.19Å; L170-I188 HydrophobicContact CB-CD1 3.86Å; L170-I188 HydrophobicContact CB-CG1 3.91Å; Q184-I188 HydrophobicContact CB-CD1 4.08Å; Q184-I188 HydrophobicContact CB-CG1 4.08Å; Q184-I188 VanDerWaalsContact CD-CD1 3.42Å; Q184-I188 HydrophobicContact CG-CD1 4.23Å; Q184-I188 HydrophobicContact CG-CG1 4.21Å; I188-G190 PolarHBondContact O-N 2.77Å; I188-T191 VanDerWaalsContact O-CB 3.24Å; I188-T191 WeakPolarHBondContact O-CB 3.28Å; I188-T191 PolarHBondContact O-N 3.27Å; I188-T191 PolarHBondContact O-OG1 3.1Å; I188-M205 HydrophobicContact CD1-CE 4.41Å; I188-M205 HydrophobicContact CD1-SD 4.47Å
189	A	84.7	Confident	89.5	Confident	56 Å²	56	38.4 Å²	38.4	46%	0.463	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	135.2	178.3	0	0	0	0	0	113	D168 K207	D168-A189 PolarHBondContact OD1-N 3.45Å; A189-K207 WeakPolarHBondContact O-CE 3.42Å
190	G	86.2	Confident	90.2	Very high	32 Å²	32	30.6 Å²	30.6	33%	0.33	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	10	-172.3	0	0	0	0	0	115	I188 E192 K207 G208	I188-G190 PolarHBondContact O-N 2.77Å; G190-E192 PolarHBondContact O-N 2.9Å; G190-K207 WeakPolarHBondContact O-CA 3.43Å; G190-G208 PolarHBondContact O-N 2.7Å
191	T	91.6	Very high	90.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	107.8	169.5	-56.9	0	0	0	0	110.2	V163 I188 V194 M205 A206 K207	V163-T191 HydrophobicContact CG2-CG2 4.11Å; I188-T191 VanDerWaalsContact O-CB 3.24Å; I188-T191 WeakPolarHBondContact O-CB 3.28Å; I188-T191 PolarHBondContact O-N 3.27Å; I188-T191 PolarHBondContact O-OG1 3.1Å; T191-V194 HydrophobicContact CG2-CG1 3.74Å; T191-M205 HydrophobicContact CG2-CB 4.05Å; T191-M205 HydrophobicContact CG2-CG 4.44Å; T191-M205 HydrophobicContact CG2-SD 4.43Å; T191-A206 WeakPolarHBondContact CA-O 3.49Å; T191-K207 WeakPolarHBondContact OG1-CG 3.34Å
192	E	88.7	Confident	90.9	Very high	45 Å²	45	29.7 Å²	29.7	21%	0.21	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-25.8	-177.6	-71.3	-72.6	143.2	0	0	112.9	G190 A206 P232 R233	G190-E192 PolarHBondContact O-N 2.9Å; E192-A206 PolarHBondContact N-O 3.39Å; E192-P232 HydrophobicContact CB-CG 4.44Å; E192-P232 VanDerWaalsContact CB-O 3.31Å; E192-P232 WeakPolarHBondContact CB-O 3.4Å; E192-P232 WeakPolarHBondContact CG-O 3.17Å; E192-R233 CarbonylContact C-O 3.58Å; E192-R233 VanDerWaalsContact C-O 3.31Å; E192-R233 IonicContact OE2-CZ 3.97Å; E192-R233 IonicContact OE2-NH1 2.78Å; E192-R233 PolarHBondContact OE2-NH1 3.37Å
193	G	91.9	Very high	91.1	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	137.9	-175	0	0	0	0	0	112.9	M205 A206 R233	G193-M205 WeakPolarHBondContact O-CA 3.49Å; G193-A206 PolarHBondContact O-N 3.12Å; G193-R233 WeakPolarHBondContact CA-O 3.37Å; G193-R233 PolarHBondContact N-O 3.21Å
194	V	94.5	Very high	91.3	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.9	-179.5	-54.1	0	0	0	0	112	A150 V152 V163 T191 L203 Y204 M205	A150-V194 HydrophobicContact CB-CG1 4.15Å; A150-V194 HydrophobicContact CB-CG2 3.93Å; V152-V194 HydrophobicContact CB-CG2 4.13Å; V152-V194 HydrophobicContact CG1-CG2 3.88Å; V163-V194 HydrophobicContact CG2-CG1 3.83Å; T191-V194 HydrophobicContact CG2-CG1 3.74Å; V194-L203 HydrophobicContact CB-CD1 4.4Å; V194-Y204 CarbonylContact C-O 3.5Å; V194-Y204 WeakPolarHBondContact CA-O 3.41Å; V194-M205 HydrophobicContact CB-CG 4.46Å; V194-M205 HydrophobicContact CG1-CG 3.94Å; V194-M205 HydrophobicContact CG1-SD 4.46Å
195	G	95.5	Very high	91.6	Very high	3 Å²	3	23.9 Å²	23.9	3%	0.031	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	139.2	177.4	0	0	0	0	0	112.1	Y204	G195-Y204 PolarHBondContact N-O 2.89Å; G195-Y204 PolarHBondContact O-N 3.09Å
196	V	94.8	Very high	91.9	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.5	179.8	147.8	0	0	0	0	109.7	V152 Y161 W198 L203 L216 V237	V152-V196 HydrophobicContact CG1-CB 3.89Å; V152-V196 HydrophobicContact CG1-CG2 3.5Å; V152-V196 HydrophobicContact CG2-CB 3.92Å; V152-V196 HydrophobicContact CG2-CG2 4.47Å; Y161-V196 HydrophobicContact CD2-CG2 3.98Å; Y161-V196 HydrophobicContact CE2-CG2 4.3Å; Y161-V196 HydrophobicContact CG-CG2 4.47Å; V196-W198 HydrophobicContact CG1-CB 4.41Å; V196-W198 PolarHBondContact O-N 2.89Å; V196-L203 HydrophobicContact CG2-CD1 3.68Å; V196-L216 HydrophobicContact CG2-CD2 3.77Å; V196-V237 WeakPolarHBondContact O-CG2 3.46Å
197	D	94.3	Very high	92	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	104.5	161	171.7	12	0	0	0	108.4	I199 G200 R201 K202 Y204 P239 M260	D197-I199 VanDerWaalsContact C-N 3.29Å; D197-I199 PolarHBondContact OD1-N 2.81Å; D197-G200 PolarHBondContact OD1-N 3.43Å; D197-G200 WeakPolarHBondContact OD2-CA 3.35Å; D197-G200 PolarHBondContact OD2-N 3.48Å; D197-R201 WeakPolarHBondContact O-CA 3.28Å; D197-R201 PolarHBondContact O-N 2.91Å; D197-K202 HydrophobicContact CB-CB 4.34Å; D197-K202 PolarHBondContact N-O 3.47Å; D197-K202 PolarHBondContact O-N 2.82Å; D197-K202 VanDerWaalsContact O-N 3.14Å; D197-Y204 HydrophobicContact CB-CD2 4.36Å; D197-Y204 HydrophobicContact CB-CE2 3.76Å; D197-P239 HydrophobicContact CB-CG 4.36Å; D197-P239 WeakPolarHBondContact OD1-CB 3.03Å; D197-M260 HydrophobicContact CB-CE 3.59Å; D197-M260 VanDerWaalsContact CG-CE 3.4Å; D197-M260 VanDerWaalsContact OD2-CE 3.24Å; D197-M260 WeakPolarHBondContact OD2-CE 3.31Å
198	W	90.7	Very high	92.3	Very high	24 Å²	24	20 Å²	20	9%	0.091	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-15.1	178.6	56.4	92	0	0	0	113.4	V196 V237 P239 H283 Q373 P374	V196-W198 HydrophobicContact CG1-CB 4.41Å; V196-W198 PolarHBondContact O-N 2.89Å; W198-V237 HydrophobicContact CZ3-CG2 4.29Å; W198-P239 HydrophobicContact CD2-CG 4.17Å; W198-P239 HydrophobicContact CE3-CG 4.15Å; W198-P239 VanDerWaalsContact CH2-CD 3.49Å; W198-P239 HydrophobicContact CH2-CG 3.88Å; W198-P239 HydrophobicContact CZ2-CG 3.88Å; W198-P239 HydrophobicContact CZ3-CG 4.01Å; W198-H283 AromaticContact CH2-CE1 3.77Å; W198-H283 AromaticContact CH2-NE2 3.65Å; W198-Q373 HydrophobicContact CD2-CB 3.78Å; W198-Q373 HydrophobicContact CD2-CG 3.83Å; W198-Q373 HydrophobicContact CE3-CB 4.24Å; W198-Q373 HydrophobicContact CE3-CG 3.77Å; W198-Q373 HydrophobicContact CG-CB 4.08Å; W198-Q373 HydrophobicContact CG-CG 4.39Å; W198-Q373 HydrophobicContact CH2-CG 4.34Å; W198-Q373 HydrophobicContact CZ2-CB 4.16Å; W198-Q373 HydrophobicContact CZ2-CG 4.4Å; W198-Q373 HydrophobicContact CZ3-CG 4.03Å; W198-P374 PolarHBondContact NE1-O 2.98Å
199	I	90	Very high	92.7	Very high	20 Å²	20	21.7 Å²	21.7	10%	0.103	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-51.1	-179.1	-74.8	140.6	0	0	0	110.8	D197 R201 P239 A376 L394	D197-I199 VanDerWaalsContact C-N 3.29Å; D197-I199 PolarHBondContact OD1-N 2.81Å; I199-R201 VanDerWaalsContact C-N 3.29Å; I199-P239 HydrophobicContact CB-CB 4.28Å; I199-P239 HydrophobicContact CD1-CB 3.58Å; I199-P239 HydrophobicContact CD1-CG 4.41Å; I199-A376 HydrophobicContact CD1-CB 3.42Å; I199-A376 VanDerWaalsContact CD1-CB 3.42Å; I199-A376 HydrophobicContact CG1-CB 3.86Å; I199-A376 HydrophobicContact CG2-CB 4.2Å; I199-L394 HydrophobicContact CB-CD1 4.26Å; I199-L394 HydrophobicContact CG2-CD1 3.98Å; I199-L394 HydrophobicContact CG2-CD2 4.35Å
200	G	91.2	Very high	93.2	Very high	2 Å²	2	20.4 Å²	20.4	2%	0.021	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.5	174	0	0	0	0	0	114.2	D197 K202	D197-G200 PolarHBondContact OD1-N 3.43Å; D197-G200 WeakPolarHBondContact OD2-CA 3.35Å; D197-G200 PolarHBondContact OD2-N 3.48Å; G200-K202 PolarHBondContact O-NZ 2.82Å
201	R	92.6	Very high	93.7	Very high	131 Å²	131	18.9 Å²	18.9	49%	0.494	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	62.7	-176.2	-63.7	-178.1	69.5	-145.3	-0	111.7	E157 D197 I199 L216	E157-R201 IonicContact OE1-CZ 3.04Å; E157-R201 IonicContact OE1-NE 2.68Å; E157-R201 PolarHBondContact OE1-NE 3.25Å; E157-R201 IonicContact OE1-NH2 2.69Å; E157-R201 PolarHBondContact OE1-NH2 3.02Å; D197-R201 WeakPolarHBondContact O-CA 3.28Å; D197-R201 PolarHBondContact O-N 2.91Å; I199-R201 VanDerWaalsContact C-N 3.29Å; R201-L216 HydrophobicContact CB-CD1 3.83Å; R201-L216 HydrophobicContact CB-CG 4.33Å; R201-L216 HydrophobicContact CG-CD1 4.25Å
202	K	95.1	Very high	94	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.017	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.1	179.7	-58.2	-63.8	175	-72.9	0	111.5	D197 G200 Y204 V213 Q214 Q215 N385 L391 C392 L393	D197-K202 HydrophobicContact CB-CB 4.34Å; D197-K202 PolarHBondContact N-O 3.47Å; D197-K202 PolarHBondContact O-N 2.82Å; D197-K202 VanDerWaalsContact O-N 3.14Å; G200-K202 PolarHBondContact O-NZ 2.82Å; K202-Y204 HydrophobicContact CB-CE2 3.87Å; K202-V213 HydrophobicContact CB-CG2 3.88Å; K202-V213 HydrophobicContact CG-CG2 4.37Å; K202-Q214 CarbonylContact C-O 3.58Å; K202-Q214 VanDerWaalsContact CA-O 3.3Å; K202-Q214 WeakPolarHBondContact CA-O 3.46Å; K202-Q215 HydrophobicContact CD-CG 4.41Å; K202-N385 PolarHBondContact NZ-OD1 3.3Å; K202-L391 HydrophobicContact CD-CD2 3.79Å; K202-C392 VanDerWaalsContact CE-O 3.28Å; K202-C392 WeakPolarHBondContact CE-O 3.46Å; K202-L393 HydrophobicContact CG-CD2 4.36Å
203	L	96	Very high	94.4	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.7	171.8	-176.8	71.6	0	0	0	109	V152 L170 V194 V196 M205 V213 Q214 L216	V152-L203 HydrophobicContact CG1-CD1 3.93Å; L170-L203 HydrophobicContact CD1-CD2 3.87Å; L170-L203 HydrophobicContact CD2-CD2 3.52Å; L170-L203 HydrophobicContact CG-CD2 4.32Å; V194-L203 HydrophobicContact CB-CD1 4.4Å; V196-L203 HydrophobicContact CG2-CD1 3.68Å; L203-M205 HydrophobicContact CD2-CE 4.39Å; L203-M205 HydrophobicContact CD2-CG 4.07Å; L203-M205 HydrophobicContact CD2-SD 3.71Å; L203-M205 HydrophobicContact CG-CG 3.98Å; L203-M205 HydrophobicContact CG-SD 4.28Å; L203-V213 CarbonylContact O-C 3.54Å; L203-V213 WeakPolarHBondContact O-CA 3.31Å; L203-Q214 HydrophobicContact CB-CG 4.11Å; L203-Q214 PolarHBondContact N-O 2.89Å; L203-Q214 PolarHBondContact O-N 2.96Å; L203-L216 HydrophobicContact CB-CD2 4.23Å
204	Y	97.3	Very high	94.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	137.7	173.8	-65.9	-99.3	0	0	0	109.2	V194 G195 D197 K202 I212 V213 L224 V237 V244 M260	V194-Y204 CarbonylContact C-O 3.5Å; V194-Y204 WeakPolarHBondContact CA-O 3.41Å; G195-Y204 PolarHBondContact N-O 2.89Å; G195-Y204 PolarHBondContact O-N 3.09Å; D197-Y204 HydrophobicContact CB-CD2 4.36Å; D197-Y204 HydrophobicContact CB-CE2 3.76Å; K202-Y204 HydrophobicContact CB-CE2 3.87Å; Y204-I212 CarbonylContact C-O 3.59Å; Y204-I212 WeakPolarHBondContact CA-O 3.33Å; Y204-V213 HydrophobicContact CD1-CB 3.93Å; Y204-V213 HydrophobicContact CD1-CG2 3.83Å; Y204-V213 HydrophobicContact CD2-CG2 4.21Å; Y204-V213 HydrophobicContact CE1-CB 3.84Å; Y204-V213 HydrophobicContact CE1-CG2 3.5Å; Y204-V213 HydrophobicContact CE2-CG2 3.89Å; Y204-V213 HydrophobicContact CG-CG2 4.17Å; Y204-L224 HydrophobicContact CD1-CD1 4.09Å; Y204-L224 HydrophobicContact CE1-CD1 3.74Å; Y204-V237 HydrophobicContact CD2-CG1 3.87Å; Y204-V237 HydrophobicContact CG-CG1 4.1Å; Y204-V244 HydrophobicContact CD1-CG2 3.64Å; Y204-V244 HydrophobicContact CE1-CG2 3.86Å; Y204-V244 HydrophobicContact CG-CG2 4.11Å; Y204-M260 HydrophobicContact CE1-CB 4.3Å; Y204-M260 HydrophobicContact CE1-CG 4.22Å; Y204-M260 HydrophobicContact CE2-CE 3.72Å; Y204-M260 WeakPolarHBondContact OH-CB 3.32Å; Y204-M260 PolarHBondContact OH-O 2.91Å
205	M	96.1	Very high	94.6	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.015	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	131.1	-175.5	-58.6	-174	-71.1	0	0	110.5	L170 I188 T191 G193 V194 L203 I212 Q214	L170-M205 HydrophobicContact CD1-SD 4.5Å; L170-M205 HydrophobicContact CD2-SD 4.16Å; I188-M205 HydrophobicContact CD1-CE 4.41Å; I188-M205 HydrophobicContact CD1-SD 4.47Å; T191-M205 HydrophobicContact CG2-CB 4.05Å; T191-M205 HydrophobicContact CG2-CG 4.44Å; T191-M205 HydrophobicContact CG2-SD 4.43Å; G193-M205 WeakPolarHBondContact O-CA 3.49Å; V194-M205 HydrophobicContact CB-CG 4.46Å; V194-M205 HydrophobicContact CG1-CG 3.94Å; V194-M205 HydrophobicContact CG1-SD 4.46Å; L203-M205 HydrophobicContact CD2-CE 4.39Å; L203-M205 HydrophobicContact CD2-CG 4.07Å; L203-M205 HydrophobicContact CD2-SD 3.71Å; L203-M205 HydrophobicContact CG-CG 3.98Å; L203-M205 HydrophobicContact CG-SD 4.28Å; M205-I212 PolarHBondContact N-O 3.04Å; M205-I212 PolarHBondContact O-N 2.94Å; M205-Q214 VanDerWaalsContact CE-CD 3.45Å; M205-Q214 HydrophobicContact CE-CG 4.13Å
206	A	95.6	Very high	94.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	108.5	166.9	0	0	0	0	0	108	T191 E192 G193 F229 P232 L235	T191-A206 WeakPolarHBondContact CA-O 3.49Å; E192-A206 PolarHBondContact N-O 3.39Å; G193-A206 PolarHBondContact O-N 3.12Å; A206-F229 HydrophobicContact CB-CD2 4.26Å; A206-F229 HydrophobicContact CB-CE2 3.93Å; A206-P232 HydrophobicContact CB-CB 3.78Å; A206-P232 HydrophobicContact CB-CG 4.14Å; A206-L235 HydrophobicContact CB-CD1 4.14Å
207	K	92.6	Very high	94.2	Very high	57 Å²	57	21.4 Å²	21.4	25%	0.248	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	113.5	-174.4	-176.5	-169.8	169.9	-160.2	0	110.1	G187 A189 G190 T191 S209 D210 I212	G187-K207 WeakPolarHBondContact O-CE 3.17Å; G187-K207 PolarHBondContact O-NZ 3.4Å; A189-K207 WeakPolarHBondContact O-CE 3.42Å; G190-K207 WeakPolarHBondContact O-CA 3.43Å; T191-K207 WeakPolarHBondContact OG1-CG 3.34Å; K207-S209 PolarHBondContact O-N 3.14Å; K207-S209 VanDerWaalsContact O-N 3.12Å; K207-D210 PolarHBondContact N-O 3.08Å; K207-D210 PolarHBondContact O-N 3.38Å; K207-I212 HydrophobicContact CB-CD1 4.01Å; K207-I212 HydrophobicContact CD-CD1 4.06Å
208	G	92.1	Very high	94.1	Very high	34 Å²	34	22.5 Å²	22.5	35%	0.351	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-115.2	-175	0	0	0	0	0	110.4	G190 P232	G190-G208 PolarHBondContact O-N 2.7Å; G208-P232 WeakPolarHBondContact O-CD 3.13Å; G208-P232 VanDerWaalsContact O-CG 3.31Å; G208-P232 WeakPolarHBondContact O-CG 3.33Å
209	S	94.8	Very high	94.1	Very high	36 Å²	36	28.9 Å²	28.9	25%	0.252	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	0.3	178.8	-61.2	0	0	0	0	115	K207 N227 V228 F229	K207-S209 PolarHBondContact O-N 3.14Å; K207-S209 VanDerWaalsContact O-N 3.12Å; S209-N227 CarbonylContact O-C 3.5Å; S209-N227 WeakPolarHBondContact O-CA 3.15Å; S209-N227 PolarHBondContact O-N 3.03Å; S209-V228 PolarHBondContact O-N 3.37Å; S209-F229 WeakPolarHBondContact CA-O 3.42Å; S209-F229 WeakPolarHBondContact CB-O 3.47Å; S209-F229 PolarHBondContact O-N 3.1Å; S209-F229 PolarHBondContact OG-O 3.39Å
210	D	96.3	Very high	94.1	Very high	29 Å²	29	30.6 Å²	30.6	16%	0.155	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	148.1	-167.5	-72.2	9.1	0	0	0	112.5	K207 I212 T223 Y225 R226 N227	K207-D210 PolarHBondContact N-O 3.08Å; K207-D210 PolarHBondContact O-N 3.38Å; D210-I212 HydrophobicContact CB-CG1 4.31Å; D210-T223 HydrophobicContact CB-CG2 3.85Å; D210-T223 WeakPolarHBondContact OD2-CG2 3.2Å; D210-Y225 CarbonylContact C-O 3.53Å; D210-Y225 VanDerWaalsContact CA-O 3.31Å; D210-Y225 WeakPolarHBondContact CA-O 3.41Å; D210-R226 VanDerWaalsContact OD1-CA 3.23Å; D210-R226 WeakPolarHBondContact OD1-CA 3.33Å; D210-R226 IonicContact OD2-NH1 3.95Å; D210-R226 PolarHBondContact OD2-NH1 2.97Å; D210-N227 PolarHBondContact OD1-N 2.68Å
211	L	97.3	Very high	94.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.2	167.3	-175.3	57.2	0	0	0	109.2	L224 Y225 F229 L235 V244 A258	L211-L224 PolarHBondContact O-N 2.81Å; L211-Y225 HydrophobicContact CB-CD2 4.2Å; L211-Y225 HydrophobicContact CD2-CD2 3.97Å; L211-Y225 HydrophobicContact CD2-CE2 4.39Å; L211-Y225 PolarHBondContact N-O 3.25Å; L211-Y225 PolarHBondContact O-N 2.97Å; L211-F229 HydrophobicContact CB-CE2 3.79Å; L211-F229 HydrophobicContact CB-CZ 4.23Å; L211-F229 HydrophobicContact CD1-CE2 4.34Å; L211-L235 HydrophobicContact CD1-CD1 3.91Å; L211-V244 HydrophobicContact CD2-CG1 4.46Å; L211-A258 HydrophobicContact CD2-CB 3.88Å
212	I	96.7	Very high	94.4	Very high	11 Å²	11	30.4 Å²	30.4	6%	0.056	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	144.2	-172.1	-59.3	178.5	0	0	0	109.9	Y204 M205 K207 D210 R221 T223	Y204-I212 CarbonylContact C-O 3.59Å; Y204-I212 WeakPolarHBondContact CA-O 3.33Å; M205-I212 PolarHBondContact N-O 3.04Å; M205-I212 PolarHBondContact O-N 2.94Å; K207-I212 HydrophobicContact CB-CD1 4.01Å; K207-I212 HydrophobicContact CD-CD1 4.06Å; D210-I212 HydrophobicContact CB-CG1 4.31Å; I212-R221 HydrophobicContact CG2-CG 3.41Å; I212-R221 VanDerWaalsContact CG2-CG 3.41Å; I212-T223 HydrophobicContact CG1-CG2 4.17Å
213	V	97.3	Very high	94.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.6	170.1	70.5	0	0	0	0	111	K202 L203 Y204 R221 L222 L224 L391 L393	K202-V213 HydrophobicContact CB-CG2 3.88Å; K202-V213 HydrophobicContact CG-CG2 4.37Å; L203-V213 CarbonylContact O-C 3.54Å; L203-V213 WeakPolarHBondContact O-CA 3.31Å; Y204-V213 HydrophobicContact CD1-CB 3.93Å; Y204-V213 HydrophobicContact CD1-CG2 3.83Å; Y204-V213 HydrophobicContact CD2-CG2 4.21Å; Y204-V213 HydrophobicContact CE1-CB 3.84Å; Y204-V213 HydrophobicContact CE1-CG2 3.5Å; Y204-V213 HydrophobicContact CE2-CG2 3.89Å; Y204-V213 HydrophobicContact CG-CG2 4.17Å; V213-R221 WeakPolarHBondContact O-CA 3.38Å; V213-L222 HydrophobicContact CG1-CB 4.02Å; V213-L222 HydrophobicContact CG1-CD2 4.49Å; V213-L222 HydrophobicContact CG1-CG 4.47Å; V213-L222 PolarHBondContact N-O 2.63Å; V213-L222 PolarHBondContact O-N 2.85Å; V213-L224 HydrophobicContact CB-CD1 3.84Å; V213-L224 HydrophobicContact CB-CG 4.19Å; V213-L224 HydrophobicContact CG1-CD1 3.81Å; V213-L224 HydrophobicContact CG1-CD2 3.94Å; V213-L224 HydrophobicContact CG1-CG 3.7Å; V213-L391 HydrophobicContact CG1-CD1 4.27Å; V213-L393 HydrophobicContact CG1-CD1 4.37Å; V213-L393 HydrophobicContact CG1-CD2 3.98Å; V213-L393 HydrophobicContact CG2-CD2 3.87Å
214	Q	95.6	Very high	94.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	171.1	174.2	61.7	-175.2	45	0	0	112.2	K202 L203 M205 R221	K202-Q214 CarbonylContact C-O 3.58Å; K202-Q214 VanDerWaalsContact CA-O 3.3Å; K202-Q214 WeakPolarHBondContact CA-O 3.46Å; L203-Q214 HydrophobicContact CB-CG 4.11Å; L203-Q214 PolarHBondContact N-O 2.89Å; L203-Q214 PolarHBondContact O-N 2.96Å; M205-Q214 VanDerWaalsContact CE-CD 3.45Å; M205-Q214 HydrophobicContact CE-CG 4.13Å; Q214-R221 HydrophobicContact CB-CB 4.05Å; Q214-R221 HydrophobicContact CB-CG 4.12Å
215	Q	94.1	Very high	94.5	Very high	37 Å²	37	33.8 Å²	33.8	17%	0.173	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	156.5	168.8	-61.9	-171.9	-13	0	0	111.7	K202 D217 G218 R219 Q390 L391	K202-Q215 HydrophobicContact CD-CG 4.41Å; Q215-D217 WeakPolarHBondContact CB-OD1 3.49Å; Q215-D217 PolarHBondContact O-N 3.14Å; Q215-D217 VanDerWaalsContact O-N 3.1Å; Q215-G218 PolarHBondContact O-N 2.58Å; Q215-R219 WeakPolarHBondContact CB-O 3.49Å; Q215-R219 PolarHBondContact N-O 3.05Å; Q215-Q390 PolarHBondContact NE2-O 2.73Å; Q215-L391 HydrophobicContact CG-CD2 3.8Å
216	L	93.1	Very high	94.5	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.037	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-8.3	-179.6	-63.9	-178.9	0	0	0	114.8	E157 Y161 R172 V196 R201 L203	E157-L216 WeakPolarHBondContact OE1-CD1 3.47Å; Y161-L216 HydrophobicContact CE1-CB 4.34Å; Y161-L216 HydrophobicContact CE1-CD2 4.46Å; Y161-L216 WeakPolarHBondContact CE1-O 3.41Å; Y161-L216 HydrophobicContact CE2-CD2 4.47Å; R172-L216 PolarHBondContact NH1-O 2.69Å; V196-L216 HydrophobicContact CG2-CD2 3.77Å; R201-L216 HydrophobicContact CB-CD1 3.83Å; R201-L216 HydrophobicContact CB-CG 4.33Å; R201-L216 HydrophobicContact CG-CD1 4.25Å; L203-L216 HydrophobicContact CB-CD2 4.23Å
217	D	90.4	Very high	94.5	Very high	53 Å²	53	45.9 Å²	45.9	28%	0.283	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	6.7	172.8	75.6	-18.3	0	0	0	113.4	Q215 R219	Q215-D217 WeakPolarHBondContact CB-OD1 3.49Å; Q215-D217 PolarHBondContact O-N 3.14Å; Q215-D217 VanDerWaalsContact O-N 3.1Å; D217-R219 VanDerWaalsContact C-N 3.34Å; D217-R219 WeakPolarHBondContact OD1-CB 3.36Å; D217-R219 PolarHBondContact OD1-N 3.22Å; D217-R219 VanDerWaalsContact OD1-N 3.16Å; D217-R219 IonicContact OD1-NE 3.26Å; D217-R219 IonicContact OD2-CZ 3.57Å; D217-R219 VanDerWaalsContact OD2-CZ 3.32Å; D217-R219 IonicContact OD2-NE 3.71Å; D217-R219 PolarHBondContact OD2-NE 2.95Å; D217-R219 IonicContact OD2-NH2 3.92Å; D217-R219 PolarHBondContact OD2-NH2 3.43Å
218	G	90.8	Very high	94.6	Very high	23 Å²	23	44.4 Å²	44.4	24%	0.237	22%	0.22	C	C	.	.	S	Bend	trans	88.4	-8	177.8	0	0	0	0	0	114.9	Q215	Q215-G218 PolarHBondContact O-N 2.58Å
219	R	90.5	Very high	94.8	Very high	158 Å²	158	42.8 Å²	42.8	60%	0.596	20%	0.203	S	C	*	.			trans	-72.9	159	176.1	-66.1	-171.1	-117.4	-156.6	-4.7	112.2	Q215 D217	Q215-R219 WeakPolarHBondContact CB-O 3.49Å; Q215-R219 PolarHBondContact N-O 3.05Å; D217-R219 VanDerWaalsContact C-N 3.34Å; D217-R219 WeakPolarHBondContact OD1-CB 3.36Å; D217-R219 PolarHBondContact OD1-N 3.22Å; D217-R219 VanDerWaalsContact OD1-N 3.16Å; D217-R219 IonicContact OD1-NE 3.26Å; D217-R219 IonicContact OD2-CZ 3.57Å; D217-R219 VanDerWaalsContact OD2-CZ 3.32Å; D217-R219 IonicContact OD2-NE 3.71Å; D217-R219 PolarHBondContact OD2-NE 2.95Å; D217-R219 IonicContact OD2-NH2 3.92Å; D217-R219 PolarHBondContact OD2-NH2 3.43Å
220	H	91.3	Very high	94.9	Very high	56 Å²	56	47.9 Å²	47.9	26%	0.259	22%	0.221	S	C	.	.	S	Bend	trans	46.4	77	174	-50.5	-71.4	0	0	0	113	Q390 L391 A405	H220-Q390 HydrophobicContact CB-CB 4.07Å; H220-L391 HydrophobicContact CB-CD2 4.16Å; H220-L391 HydrophobicContact CB-CG 4.17Å; H220-L391 WeakPolarHBondContact O-CD1 3.47Å; H220-L391 WeakPolarHBondContact O-CD2 3.38Å; H220-A405 HydrophobicContact CB-CB 4.24Å
221	R	94.1	Very high	94.8	Very high	97 Å²	97	50 Å²	50	37%	0.366	23%	0.232	S	C	.	.			trans	-92	131.8	178.3	-172.9	176.7	75.2	-160.2	-1.6	110.8	I212 V213 Q214 A405 D406	I212-R221 HydrophobicContact CG2-CG 3.41Å; I212-R221 VanDerWaalsContact CG2-CG 3.41Å; V213-R221 WeakPolarHBondContact O-CA 3.38Å; Q214-R221 HydrophobicContact CB-CB 4.05Å; Q214-R221 HydrophobicContact CB-CG 4.12Å; R221-A405 CarbonylContact O-C 3.58Å; R221-A405 VanDerWaalsContact O-CA 3.27Å; R221-A405 WeakPolarHBondContact O-CA 3.17Å; R221-A405 WeakPolarHBondContact O-CB 3.4Å; R221-D406 PolarHBondContact O-N 3.04Å
222	L	95.8	Very high	94.7	Very high	32 Å²	32	50.3 Å²	50.3	17%	0.168	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.8	175.7	169.4	61.7	0	0	0	110.1	V213 L224 L391 L393 A403 C404	V213-L222 HydrophobicContact CG1-CB 4.02Å; V213-L222 HydrophobicContact CG1-CD2 4.49Å; V213-L222 HydrophobicContact CG1-CG 4.47Å; V213-L222 PolarHBondContact N-O 2.63Å; V213-L222 PolarHBondContact O-N 2.85Å; L222-L224 HydrophobicContact CD2-CD2 3.8Å; L222-L224 HydrophobicContact CG-CD2 4.23Å; L222-L224 PolarHBondContact O-N 2.86Å; L222-L391 HydrophobicContact CB-CD1 3.67Å; L222-L391 HydrophobicContact CD2-CD1 4.35Å; L222-L393 HydrophobicContact CD2-CD1 4.4Å; L222-A403 HydrophobicContact CD2-CB 3.82Å; L222-C404 WeakPolarHBondContact CD1-O 3.4Å
223	T	96.6	Very high	94.6	Very high	16 Å²	16	51.7 Å²	51.7	10%	0.098	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	105.8	167.4	-47.8	0	0	0	0	109.6	D210 I212 R226 D406	D210-T223 HydrophobicContact CB-CG2 3.85Å; D210-T223 WeakPolarHBondContact OD2-CG2 3.2Å; I212-T223 HydrophobicContact CG1-CG2 4.17Å; T223-R226 VanDerWaalsContact CB-CZ 3.41Å; T223-R226 VanDerWaalsContact CB-NH2 3.28Å; T223-R226 HydrophobicContact CG2-CG 3.64Å; T223-R226 PolarHBondContact OG1-NH1 2.86Å; T223-R226 VanDerWaalsContact OG1-NH1 3.17Å; T223-R226 PolarHBondContact OG1-NH2 3.39Å; T223-R226 VanDerWaalsContact OG1-NH2 3.08Å; T223-D406 WeakPolarHBondContact CB-OD2 3.25Å; T223-D406 PolarHBondContact N-OD1 2.69Å; T223-D406 PolarHBondContact N-OD2 3.4Å; T223-D406 PolarHBondContact OG1-OD2 3.22Å
224	L	96.3	Very high	94.4	Very high	26 Å²	26	52.5 Å²	52.5	14%	0.136	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-42.9	-178.2	-69.8	173.6	0	0	0	112.4	Y204 L211 V213 L222 L393	Y204-L224 HydrophobicContact CD1-CD1 4.09Å; Y204-L224 HydrophobicContact CE1-CD1 3.74Å; L211-L224 PolarHBondContact O-N 2.81Å; V213-L224 HydrophobicContact CB-CD1 3.84Å; V213-L224 HydrophobicContact CB-CG 4.19Å; V213-L224 HydrophobicContact CG1-CD1 3.81Å; V213-L224 HydrophobicContact CG1-CD2 3.94Å; V213-L224 HydrophobicContact CG1-CG 3.7Å; L222-L224 HydrophobicContact CD2-CD2 3.8Å; L222-L224 HydrophobicContact CG-CD2 4.23Å; L222-L224 PolarHBondContact O-N 2.86Å; L224-L393 HydrophobicContact CD2-CD1 3.8Å
225	Y	97	Very high	94.5	Very high	33 Å²	33	52.6 Å²	52.6	13%	0.129	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.1	179.1	-60.1	-82.7	0	0	0	110.1	D210 L211 V228 A258 G262 S264 F265	D210-Y225 CarbonylContact C-O 3.53Å; D210-Y225 VanDerWaalsContact CA-O 3.31Å; D210-Y225 WeakPolarHBondContact CA-O 3.41Å; L211-Y225 HydrophobicContact CB-CD2 4.2Å; L211-Y225 HydrophobicContact CD2-CD2 3.97Å; L211-Y225 HydrophobicContact CD2-CE2 4.39Å; L211-Y225 PolarHBondContact N-O 3.25Å; L211-Y225 PolarHBondContact O-N 2.97Å; Y225-V228 HydrophobicContact CG-CG1 4.47Å; Y225-A258 HydrophobicContact CE2-CB 3.93Å; Y225-G262 VanDerWaalsContact OH-CA 3.27Å; Y225-G262 WeakPolarHBondContact OH-CA 3.28Å; Y225-G262 PolarHBondContact OH-O 2.93Å; Y225-S264 PolarHBondContact OH-N 3.01Å; Y225-S264 VanDerWaalsContact OH-N 3.17Å; Y225-S264 PolarHBondContact OH-O 3.28Å; Y225-F265 HydrophobicContact CD1-CB 4.02Å; Y225-F265 HydrophobicContact CD1-CD2 4.41Å; Y225-F265 HydrophobicContact CD1-CG 4.49Å; Y225-F265 HydrophobicContact CD2-CD2 4.22Å; Y225-F265 HydrophobicContact CE1-CB 3.6Å; Y225-F265 HydrophobicContact CE1-CG 4.48Å; Y225-F265 HydrophobicContact CE2-CD2 4.36Å; Y225-F265 HydrophobicContact CG-CD2 4.23Å
226	R	96.1	Very high	94.6	Very high	137 Å²	137	51.6 Å²	51.6	52%	0.517	24%	0.242	S	C	.	.	S	Bend	trans	-106.6	141.4	178.4	-62.9	-171.9	-176.1	-72.2	-2	111.1	D210 T223 V228 D406	D210-R226 VanDerWaalsContact OD1-CA 3.23Å; D210-R226 WeakPolarHBondContact OD1-CA 3.33Å; D210-R226 IonicContact OD2-NH1 3.95Å; D210-R226 PolarHBondContact OD2-NH1 2.97Å; T223-R226 VanDerWaalsContact CB-CZ 3.41Å; T223-R226 VanDerWaalsContact CB-NH2 3.28Å; T223-R226 HydrophobicContact CG2-CG 3.64Å; T223-R226 PolarHBondContact OG1-NH1 2.86Å; T223-R226 VanDerWaalsContact OG1-NH1 3.17Å; T223-R226 PolarHBondContact OG1-NH2 3.39Å; T223-R226 VanDerWaalsContact OG1-NH2 3.08Å; R226-V228 PolarHBondContact O-N 2.74Å; R226-D406 IonicContact NH2-OD1 2.67Å; R226-D406 PolarHBondContact NH2-OD1 3.02Å; R226-D406 IonicContact NH2-OD2 2.67Å
227	N	95.8	Very high	94.8	Very high	121 Å²	121	51.6 Å²	51.6	65%	0.647	24%	0.242	S	C	*	.	S	Bend	trans	56.6	28.6	175.1	-62.3	-53.6	0	0	0	115.7	S209 D210	S209-N227 CarbonylContact O-C 3.5Å; S209-N227 WeakPolarHBondContact O-CA 3.15Å; S209-N227 PolarHBondContact O-N 3.03Å; D210-N227 PolarHBondContact OD1-N 2.68Å
228	V	95.7	Very high	95	Very high	25 Å²	25	49.2 Å²	49.2	15%	0.152	23%	0.229	C	C	.	.			trans	-86.2	-29.1	179.5	-71.8	0	0	0	0	113.6	S209 Y225 R226 F265	S209-V228 PolarHBondContact O-N 3.37Å; Y225-V228 HydrophobicContact CG-CG1 4.47Å; R226-V228 PolarHBondContact O-N 2.74Å; V228-F265 HydrophobicContact CB-CE1 4.25Å; V228-F265 HydrophobicContact CB-CE2 4.05Å; V228-F265 HydrophobicContact CB-CZ 3.83Å; V228-F265 HydrophobicContact CG1-CD1 4.47Å; V228-F265 HydrophobicContact CG1-CD2 4.47Å; V228-F265 HydrophobicContact CG1-CE1 4.34Å; V228-F265 HydrophobicContact CG1-CE2 4.35Å; V228-F265 HydrophobicContact CG1-CZ 4.29Å; V228-F265 HydrophobicContact CG2-CE2 4.05Å; V228-F265 HydrophobicContact CG2-CZ 4.26Å
229	F	96.1	Very high	95.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.22	C	C	.	.			trans	-103.2	156.6	179.3	-52.7	-54.8	0	0	0	112	A206 S209 L211 P232 N246 D248 F254 F265	A206-F229 HydrophobicContact CB-CD2 4.26Å; A206-F229 HydrophobicContact CB-CE2 3.93Å; S209-F229 WeakPolarHBondContact CA-O 3.42Å; S209-F229 WeakPolarHBondContact CB-O 3.47Å; S209-F229 PolarHBondContact O-N 3.1Å; S209-F229 PolarHBondContact OG-O 3.39Å; L211-F229 HydrophobicContact CB-CE2 3.79Å; L211-F229 HydrophobicContact CB-CZ 4.23Å; L211-F229 HydrophobicContact CD1-CE2 4.34Å; F229-P232 HydrophobicContact CB-CB 4.19Å; F229-P232 HydrophobicContact CB-CG 4.18Å; F229-P232 HydrophobicContact CD2-CB 4.27Å; F229-P232 HydrophobicContact CD2-CG 4.49Å; F229-P232 HydrophobicContact CG-CB 4.11Å; F229-P232 HydrophobicContact CG-CG 4.47Å; F229-N246 HydrophobicContact CE1-CB 3.72Å; F229-N246 HydrophobicContact CZ-CB 3.77Å; F229-D248 VanDerWaalsContact CA-OD2 3.23Å; F229-D248 WeakPolarHBondContact CA-OD2 3.31Å; F229-D248 VanDerWaalsContact CB-OD2 3.31Å; F229-D248 WeakPolarHBondContact CB-OD2 3.41Å; F229-F254 HydrophobicContact CD1-CE2 4.18Å; F229-F254 AromaticContact CD1-CZ 3.99Å; F229-F254 HydrophobicContact CD1-CZ 3.99Å; F229-F254 HydrophobicContact CE1-CE2 4.31Å; F229-F265 HydrophobicContact CE1-CE2 4.21Å; F229-F265 HydrophobicContact CE1-CZ 4.19Å; F229-F265 HydrophobicContact CZ-CE2 4.34Å
230	K	95.4	Very high	95.1	Very high	144 Å²	144	44.2 Å²	44.2	63%	0.626	21%	0.207	S	C	*	.	S	Bend	trans	-112.9	-51.4	168	-66.2	-56.3	-176	-171.7	0	110.7	D248	K230-D248 PolarHBondContact N-OD2 3.31Å
231	L	94.8	Very high	95.2	Very high	74 Å²	74	42.9 Å²	42.9	39%	0.387	20%	0.204	S	C	.	.	S	Bend	trans	-140.1	82.5	175	-65.3	175.5	0	0	0	108	D248 W249	L231-D248 PolarHBondContact N-OD1 2.76Å; L231-D248 PolarHBondContact N-OD2 3.16Å; L231-D248 VanDerWaalsContact N-OD2 3.16Å; L231-D248 CarbonylContact O-C 3.58Å; L231-D248 VanDerWaalsContact O-CA 3.31Å; L231-D248 WeakPolarHBondContact O-CA 3.43Å; L231-W249 HydrophobicContact CB-CD2 4.05Å; L231-W249 HydrophobicContact CB-CG 4.19Å; L231-W249 HydrophobicContact CB-CZ2 4.18Å; L231-W249 HydrophobicContact CD1-CD2 4.15Å; L231-W249 HydrophobicContact CD1-CE3 4.05Å; L231-W249 HydrophobicContact CD1-CH2 3.82Å; L231-W249 HydrophobicContact CD1-CZ2 3.9Å; L231-W249 HydrophobicContact CD1-CZ3 3.9Å; L231-W249 HydrophobicContact CD2-CZ2 4.45Å; L231-W249 HydrophobicContact CG-CZ2 4.41Å; L231-W249 PolarHBondContact O-N 2.7Å; L231-W249 PolarHBondContact O-NE1 3.03Å
232	P	95.6	Very high	95.2	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.039	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	155.2	176.5	29.4	-33.2	0	0	0	110.5	E192 A206 G208 F229 S247	E192-P232 HydrophobicContact CB-CG 4.44Å; E192-P232 VanDerWaalsContact CB-O 3.31Å; E192-P232 WeakPolarHBondContact CB-O 3.4Å; E192-P232 WeakPolarHBondContact CG-O 3.17Å; A206-P232 HydrophobicContact CB-CB 3.78Å; A206-P232 HydrophobicContact CB-CG 4.14Å; G208-P232 WeakPolarHBondContact O-CD 3.13Å; G208-P232 VanDerWaalsContact O-CG 3.31Å; G208-P232 WeakPolarHBondContact O-CG 3.33Å; F229-P232 HydrophobicContact CB-CB 4.19Å; F229-P232 HydrophobicContact CB-CG 4.18Å; F229-P232 HydrophobicContact CD2-CB 4.27Å; F229-P232 HydrophobicContact CD2-CG 4.49Å; F229-P232 HydrophobicContact CG-CB 4.11Å; F229-P232 HydrophobicContact CG-CG 4.47Å; P232-S247 CarbonylContact C-O 3.58Å; P232-S247 WeakPolarHBondContact CA-O 3.11Å
233	R	93.8	Very high	95.3	Very high	41 Å²	41	39.2 Å²	39.2	16%	0.155	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	-90.2	165.4	-171	77.6	75.2	-163.4	1.4	111.1	E192 G193 S247 N277	E192-R233 CarbonylContact C-O 3.58Å; E192-R233 VanDerWaalsContact C-O 3.31Å; E192-R233 IonicContact OE2-CZ 3.97Å; E192-R233 IonicContact OE2-NH1 2.78Å; E192-R233 PolarHBondContact OE2-NH1 3.37Å; G193-R233 WeakPolarHBondContact CA-O 3.37Å; G193-R233 PolarHBondContact N-O 3.21Å; R233-S247 PolarHBondContact N-O 2.8Å; R233-N277 HydrophobicContact CG-CB 4.45Å; R233-N277 WeakPolarHBondContact CG-O 3.3Å; R233-N277 PolarHBondContact NE-OD1 3.01Å; R233-N277 VanDerWaalsContact NE-OD1 3.1Å
234	A	94.8	Very high	95.4	Very high	16 Å²	16	38.4 Å²	38.4	13%	0.132	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	147	-174	0	0	0	0	0	111.6	N246 S247 N277 L279	A234-N246 VanDerWaalsContact O-CA 3.29Å; A234-N246 WeakPolarHBondContact O-CA 3.25Å; A234-S247 PolarHBondContact N-OG 2.75Å; A234-S247 VanDerWaalsContact N-OG 3.11Å; A234-S247 PolarHBondContact O-N 3.03Å; A234-N277 WeakPolarHBondContact CB-O 3.24Å; A234-L279 HydrophobicContact CB-CB 3.54Å
235	L	96.5	Very high	95.5	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.5	173.2	-172.5	168.3	0	0	0	107.8	A206 L211 V237 V244 F245 N246	A206-L235 HydrophobicContact CB-CD1 4.14Å; L211-L235 HydrophobicContact CD1-CD1 3.91Å; L235-V237 HydrophobicContact CD2-CG1 3.84Å; L235-V244 HydrophobicContact CD1-CG1 4.34Å; L235-V244 HydrophobicContact CD2-CG1 3.65Å; L235-V244 HydrophobicContact CG-CG1 3.84Å; L235-F245 WeakPolarHBondContact CA-O 3.45Å; L235-N246 WeakPolarHBondContact CB-ND2 3.31Å; L235-N246 WeakPolarHBondContact CD1-ND2 3.41Å; L235-N246 WeakPolarHBondContact CG-ND2 3.39Å
236	V	96.8	Very high	95.5	Very high	16 Å²	16	35.6 Å²	35.6	10%	0.097	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.2	168.6	-62.2	0	0	0	0	110.2	F245 L279 V281	V236-F245 HydrophobicContact CG2-CB 3.95Å; V236-F245 PolarHBondContact N-O 2.69Å; V236-F245 PolarHBondContact O-N 2.9Å; V236-L279 WeakPolarHBondContact CG1-O 3.49Å; V236-L279 HydrophobicContact CG2-CD2 4.04Å; V236-L279 HydrophobicContact CG2-CG 4.02Å; V236-V281 HydrophobicContact CB-CG1 4.35Å; V236-V281 HydrophobicContact CG2-CB 4.22Å; V236-V281 HydrophobicContact CG2-CG1 4.11Å
237	V	96.4	Very high	95.6	Very high	8 Å²	8	29.1 Å²	29.1	5%	0.048	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	151.3	178.6	-60.7	0	0	0	0	109.9	V196 W198 Y204 L235 P239 V244 H283	V196-V237 WeakPolarHBondContact O-CG2 3.46Å; W198-V237 HydrophobicContact CZ3-CG2 4.29Å; Y204-V237 HydrophobicContact CD2-CG1 3.87Å; Y204-V237 HydrophobicContact CG-CG1 4.1Å; L235-V237 HydrophobicContact CD2-CG1 3.84Å; V237-P239 HydrophobicContact CG2-CG 4.32Å; V237-V244 HydrophobicContact CG1-CG1 4.09Å; V237-V244 HydrophobicContact CG1-CG2 4.13Å; V237-H283 PolarHBondContact O-CE1 2.87Å; V237-H283 VanDerWaalsContact O-CE1 3.27Å
238	H	95.4	Very high	95.7	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.014	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	80.2	175.5	-163.5	-48.5	0	0	0	110.1	Q240 S241 A242 Y243 F245 H283 D286	H238-Q240 VanDerWaalsContact C-N 3.29Å; H238-Q240 PolarHBondContact CE1-OE1 3.41Å; H238-Q240 PolarHBondContact ND1-OE1 3.47Å; H238-Q240 PolarHBondContact O-N 2.89Å; H238-Q240 VanDerWaalsContact O-N 3.17Å; H238-S241 VanDerWaalsContact CG-OG 3.23Å; H238-S241 PolarHBondContact ND1-OG 2.87Å; H238-S241 VanDerWaalsContact ND1-OG 3.12Å; H238-S241 PolarHBondContact O-N 3.12Å; H238-S241 VanDerWaalsContact O-N 3.09Å; H238-S241 PolarHBondContact O-OG 2.91Å; H238-A242 PolarHBondContact O-N 2.92Å; H238-Y243 PolarHBondContact N-O 3.06Å; H238-Y243 PolarHBondContact O-N 3.11Å; H238-F245 HydrophobicContact CB-CE2 3.97Å; H238-H283 AromaticContact CD2-CE1 3.9Å; H238-H283 AromaticContact CD2-ND1 3.29Å; H238-H283 PolarHBondContact CD2-ND1 2.83Å; H238-H283 VanDerWaalsContact CD2-ND1 3.29Å; H238-H283 AromaticContact CE1-ND1 3.63Å; H238-H283 AromaticContact CG-ND1 3.58Å; H238-H283 AromaticContact ND1-ND1 3.78Å; H238-H283 WeakPolarHBondContact NE2-CA 3.12Å; H238-H283 AromaticContact NE2-ND1 3.29Å; H238-H283 PolarHBondContact NE2-ND1 3.08Å; H238-D286 IonicContact CE1-OD1 2.65Å; H238-D286 IonicContact NE2-OD1 2.89Å; H238-D286 PolarHBondContact NE2-OD1 2.98Å
239	P	93.6	Very high	95.7	Very high	6 Å²	6	25.6 Å²	25.6	4%	0.039	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-55.9	-36.7	-171.9	-30	38.8	0	0	0	114.8	D197 W198 I199 V237 S241 A242 L394	D197-P239 HydrophobicContact CB-CG 4.36Å; D197-P239 WeakPolarHBondContact OD1-CB 3.03Å; W198-P239 HydrophobicContact CD2-CG 4.17Å; W198-P239 HydrophobicContact CE3-CG 4.15Å; W198-P239 VanDerWaalsContact CH2-CD 3.49Å; W198-P239 HydrophobicContact CH2-CG 3.88Å; W198-P239 HydrophobicContact CZ2-CG 3.88Å; W198-P239 HydrophobicContact CZ3-CG 4.01Å; I199-P239 HydrophobicContact CB-CB 4.28Å; I199-P239 HydrophobicContact CD1-CB 3.58Å; I199-P239 HydrophobicContact CD1-CG 4.41Å; V237-P239 HydrophobicContact CG2-CG 4.32Å; P239-S241 VanDerWaalsContact C-N 3.26Å; P239-S241 PolarHBondContact O-N 2.89Å; P239-A242 PolarHBondContact O-N 2.68Å; P239-A242 VanDerWaalsContact O-N 3.11Å; P239-L394 HydrophobicContact CB-CD1 3.88Å
240	Q	90	Very high	95.6	Very high	69 Å²	69	26 Å²	26	32%	0.322	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-65	-27.3	-178.9	-56.4	83.7	-6.3	0	0	113.5	H238 P374 A376	H238-Q240 VanDerWaalsContact C-N 3.29Å; H238-Q240 PolarHBondContact CE1-OE1 3.41Å; H238-Q240 PolarHBondContact ND1-OE1 3.47Å; H238-Q240 PolarHBondContact O-N 2.89Å; H238-Q240 VanDerWaalsContact O-N 3.17Å; Q240-P374 PolarHBondContact NE2-O 3.34Å; Q240-A376 HydrophobicContact CG-CB 4.45Å
241	S	92.6	Very high	95.4	Very high	29 Å²	29	26.8 Å²	26.8	20%	0.203	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-104.3	-0.1	175.7	61.3	0	0	0	0	112.5	H238 P239 Y243	H238-S241 VanDerWaalsContact CG-OG 3.23Å; H238-S241 PolarHBondContact ND1-OG 2.87Å; H238-S241 VanDerWaalsContact ND1-OG 3.12Å; H238-S241 PolarHBondContact O-N 3.12Å; H238-S241 VanDerWaalsContact O-N 3.09Å; H238-S241 PolarHBondContact O-OG 2.91Å; P239-S241 VanDerWaalsContact C-N 3.26Å; P239-S241 PolarHBondContact O-N 2.89Å; S241-Y243 WeakPolarHBondContact O-CD2 3.48Å; S241-Y243 WeakPolarHBondContact O-CE2 3.05Å; S241-Y243 PolarHBondContact O-N 2.87Å
242	A	95	Very high	95.4	Very high	5 Å²	5	30.2 Å²	30.2	4%	0.041	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	37.9	-179	0	0	0	0	0	115	H238 P239 M260 L394 P396	H238-A242 PolarHBondContact O-N 2.92Å; P239-A242 PolarHBondContact O-N 2.68Å; P239-A242 VanDerWaalsContact O-N 3.11Å; A242-M260 WeakPolarHBondContact O-CB 2.98Å; A242-M260 PolarHBondContact O-N 2.8Å; A242-L394 HydrophobicContact CB-CB 3.94Å; A242-P396 HydrophobicContact CB-CG 4.31Å
243	Y	97.2	Very high	95.5	Very high	46 Å²	46	30.5 Å²	30.5	18%	0.18	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	148.6	177.7	-65.8	-71.9	0	0	0	114.2	H238 S241 K257 A258 A259 P396	H238-Y243 PolarHBondContact N-O 3.06Å; H238-Y243 PolarHBondContact O-N 3.11Å; S241-Y243 WeakPolarHBondContact O-CD2 3.48Å; S241-Y243 WeakPolarHBondContact O-CE2 3.05Å; S241-Y243 PolarHBondContact O-N 2.87Å; Y243-K257 HydrophobicContact CD1-CD 4.08Å; Y243-K257 HydrophobicContact CD1-CG 3.68Å; Y243-K257 HydrophobicContact CE1-CD 4.29Å; Y243-K257 HydrophobicContact CE1-CG 4.26Å; Y243-K257 HydrophobicContact CG-CD 4.29Å; Y243-K257 HydrophobicContact CG-CG 4.05Å; Y243-K257 VanDerWaalsContact CZ-CE 3.4Å; Y243-A258 CarbonylContact C-O 3.47Å; Y243-A258 WeakPolarHBondContact CA-O 3.41Å; Y243-A259 HydrophobicContact CD1-CB 4.29Å; Y243-A259 HydrophobicContact CE1-CB 4.12Å; Y243-P396 HydrophobicContact CE1-CB 4.45Å; Y243-P396 HydrophobicContact CE1-CG 3.73Å; Y243-P396 HydrophobicContact CE2-CB 4.32Å; Y243-P396 HydrophobicContact CE2-CG 4.29Å; Y243-P396 WeakPolarHBondContact OH-CB 3.03Å
244	V	97.9	Very high	95.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.7	166.2	-169.5	0	0	0	0	108.2	Y204 L211 L235 V237 A258 M260	Y204-V244 HydrophobicContact CD1-CG2 3.64Å; Y204-V244 HydrophobicContact CE1-CG2 3.86Å; Y204-V244 HydrophobicContact CG-CG2 4.11Å; L211-V244 HydrophobicContact CD2-CG1 4.46Å; L235-V244 HydrophobicContact CD1-CG1 4.34Å; L235-V244 HydrophobicContact CD2-CG1 3.65Å; L235-V244 HydrophobicContact CG-CG1 3.84Å; V237-V244 HydrophobicContact CG1-CG1 4.09Å; V237-V244 HydrophobicContact CG1-CG2 4.13Å; V244-A258 HydrophobicContact CB-CB 4.49Å; V244-A258 PolarHBondContact N-O 3.21Å; V244-A258 PolarHBondContact O-N 2.84Å; V244-M260 HydrophobicContact CG2-CG 3.53Å
245	F	98.4	Very high	95.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.3	174.4	-56.8	-88.7	0	0	0	110	L235 V236 H238 S256 K257 I268 L279 L288 L303	L235-F245 WeakPolarHBondContact CA-O 3.45Å; V236-F245 HydrophobicContact CG2-CB 3.95Å; V236-F245 PolarHBondContact N-O 2.69Å; V236-F245 PolarHBondContact O-N 2.9Å; H238-F245 HydrophobicContact CB-CE2 3.97Å; F245-S256 VanDerWaalsContact CA-O 3.26Å; F245-S256 WeakPolarHBondContact CA-O 3.16Å; F245-K257 HydrophobicContact CD1-CB 3.97Å; F245-K257 HydrophobicContact CD1-CG 4.22Å; F245-K257 HydrophobicContact CE1-CB 3.78Å; F245-K257 HydrophobicContact CE1-CD 3.89Å; F245-K257 HydrophobicContact CE1-CG 3.62Å; F245-K257 HydrophobicContact CZ-CD 4.35Å; F245-K257 HydrophobicContact CZ-CG 4.18Å; F245-I268 HydrophobicContact CD1-CD1 4.1Å; F245-I268 HydrophobicContact CE1-CD1 4.22Å; F245-L279 HydrophobicContact CB-CD2 4.04Å; F245-L288 HydrophobicContact CB-CD2 4.2Å; F245-L288 HydrophobicContact CD1-CD1 3.71Å; F245-L288 HydrophobicContact CD1-CD2 4Å; F245-L288 HydrophobicContact CD1-CG 4.43Å; F245-L288 HydrophobicContact CD2-CD2 4.01Å; F245-L288 HydrophobicContact CE1-CD1 3.94Å; F245-L288 HydrophobicContact CE1-CD2 4.38Å; F245-L288 HydrophobicContact CE2-CD2 4.41Å; F245-L288 HydrophobicContact CG-CD1 4.33Å; F245-L288 HydrophobicContact CG-CD2 3.8Å; F245-L303 HydrophobicContact CE1-CB 4.29Å; F245-L303 HydrophobicContact CE1-CD2 4.5Å; F245-L303 HydrophobicContact CE2-CD2 4.22Å; F245-L303 HydrophobicContact CZ-CB 3.95Å; F245-L303 HydrophobicContact CZ-CD1 4.13Å; F245-L303 HydrophobicContact CZ-CD2 3.86Å; F245-L303 HydrophobicContact CZ-CG 4.18Å
246	N	97.8	Very high	96	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.9	-178	-67.6	89.1	0	0	0	110.5	F229 A234 L235 I255 S256	F229-N246 HydrophobicContact CE1-CB 3.72Å; F229-N246 HydrophobicContact CZ-CB 3.77Å; A234-N246 VanDerWaalsContact O-CA 3.29Å; A234-N246 WeakPolarHBondContact O-CA 3.25Å; L235-N246 WeakPolarHBondContact CB-ND2 3.31Å; L235-N246 WeakPolarHBondContact CD1-ND2 3.41Å; L235-N246 WeakPolarHBondContact CG-ND2 3.39Å; N246-I255 CarbonylContact O-C 3.57Å; N246-I255 VanDerWaalsContact O-CA 3.31Å; N246-I255 WeakPolarHBondContact O-CA 3.42Å; N246-S256 PolarHBondContact N-O 2.79Å; N246-S256 VanDerWaalsContact N-O 3.12Å; N246-S256 PolarHBondContact O-N 2.67Å
247	S	97.5	Very high	96.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	143.3	164	63.4	0	0	0	0	111.5	P232 R233 A234 P276	P232-S247 CarbonylContact C-O 3.58Å; P232-S247 WeakPolarHBondContact CA-O 3.11Å; R233-S247 PolarHBondContact N-O 2.8Å; A234-S247 PolarHBondContact N-OG 2.75Å; A234-S247 VanDerWaalsContact N-OG 3.11Å; A234-S247 PolarHBondContact O-N 3.03Å; S247-P276 WeakPolarHBondContact CB-O 3.47Å; S247-P276 PolarHBondContact OG-O 2.77Å
248	D	97.5	Very high	96.1	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.4	172.8	-165.6	-63	0	0	0	109	F229 K230 L231 G250 A253 F254 P276	F229-D248 VanDerWaalsContact CA-OD2 3.23Å; F229-D248 WeakPolarHBondContact CA-OD2 3.31Å; F229-D248 VanDerWaalsContact CB-OD2 3.31Å; F229-D248 WeakPolarHBondContact CB-OD2 3.41Å; K230-D248 PolarHBondContact N-OD2 3.31Å; L231-D248 PolarHBondContact N-OD1 2.76Å; L231-D248 PolarHBondContact N-OD2 3.16Å; L231-D248 VanDerWaalsContact N-OD2 3.16Å; L231-D248 CarbonylContact O-C 3.58Å; L231-D248 VanDerWaalsContact O-CA 3.31Å; L231-D248 WeakPolarHBondContact O-CA 3.43Å; D248-G250 PolarHBondContact OD1-N 2.64Å; D248-A253 CarbonylContact O-C 3.53Å; D248-A253 VanDerWaalsContact O-CA 3.25Å; D248-A253 WeakPolarHBondContact O-CA 3.35Å; D248-A253 WeakPolarHBondContact O-CB 3.22Å; D248-F254 HydrophobicContact CB-CD1 4Å; D248-F254 HydrophobicContact CB-CD2 4.18Å; D248-F254 HydrophobicContact CB-CE1 3.65Å; D248-F254 HydrophobicContact CB-CE2 3.85Å; D248-F254 HydrophobicContact CB-CG 4.25Å; D248-F254 HydrophobicContact CB-CZ 3.57Å; D248-F254 PolarHBondContact N-O 3.34Å; D248-F254 PolarHBondContact O-N 3.09Å; D248-P276 WeakPolarHBondContact O-CG 3.4Å
249	W	95.7	Very high	96.2	Very high	72 Å²	72	27.4 Å²	27.4	27%	0.273	14%	0.142	S	C	.	.			trans	-111.7	19.1	-177.3	65.7	-81.5	0	0	0	112.9	L231 W275	L231-W249 HydrophobicContact CB-CD2 4.05Å; L231-W249 HydrophobicContact CB-CG 4.19Å; L231-W249 HydrophobicContact CB-CZ2 4.18Å; L231-W249 HydrophobicContact CD1-CD2 4.15Å; L231-W249 HydrophobicContact CD1-CE3 4.05Å; L231-W249 HydrophobicContact CD1-CH2 3.82Å; L231-W249 HydrophobicContact CD1-CZ2 3.9Å; L231-W249 HydrophobicContact CD1-CZ3 3.9Å; L231-W249 HydrophobicContact CD2-CZ2 4.45Å; L231-W249 HydrophobicContact CG-CZ2 4.41Å; L231-W249 PolarHBondContact O-N 2.7Å; L231-W249 PolarHBondContact O-NE1 3.03Å; W249-W275 AromaticContact CE3-CD1 3.97Å
250	G	94.3	Very high	96.4	Very high	9 Å²	9	27.1 Å²	27.1	9%	0.093	14%	0.141	C	C	.	.	S	Bend	trans	-64	178.4	171	0	0	0	0	0	113.2	D248 Q252 A253	D248-G250 PolarHBondContact OD1-N 2.64Å; G250-Q252 CarbonylContact O-C 3.53Å; G250-Q252 PolarHBondContact O-N 2.89Å; G250-A253 PolarHBondContact O-N 2.91Å
251	V	92.6	Very high	96.6	Very high	160 Å²	160	24.4 Å²	24.4	97%	0.97	13%	0.128	S	C	*	.	S	Bend	trans	-50.2	-29.8	-177.6	-178	0	0	0	0	113.6
252	Q	94.8	Very high	96.8	Very high	146 Å²	146	24.2 Å²	24.2	68%	0.682	13%	0.131	S	C	*	.	S	Bend	trans	-113.2	81.6	167.1	-67.7	-178.4	-13.3	0	0	108.9	G250 F254	G250-Q252 CarbonylContact O-C 3.53Å; G250-Q252 PolarHBondContact O-N 2.89Å; Q252-F254 WeakPolarHBondContact O-CD1 3.13Å
253	A	97.6	Very high	96.8	Very high	11 Å²	11	27 Å²	27	9%	0.091	15%	0.15	C	C	.	.			trans	-62.8	140.7	-178.3	0	0	0	0	0	111.8	D248 G250 L273 A274 P276	D248-A253 CarbonylContact O-C 3.53Å; D248-A253 VanDerWaalsContact O-CA 3.25Å; D248-A253 WeakPolarHBondContact O-CA 3.35Å; D248-A253 WeakPolarHBondContact O-CB 3.22Å; G250-A253 PolarHBondContact O-N 2.91Å; A253-L273 HydrophobicContact CB-CB 3.87Å; A253-A274 WeakPolarHBondContact CB-O 3.47Å; A253-P276 HydrophobicContact CB-CG 4.47Å
254	F	98.2	Very high	96.7	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.013	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	162.7	178.7	63.8	-97.7	0	0	0	113.1	F229 D248 Q252 F265 R267 V269 T270	F229-F254 HydrophobicContact CD1-CE2 4.18Å; F229-F254 AromaticContact CD1-CZ 3.99Å; F229-F254 HydrophobicContact CD1-CZ 3.99Å; F229-F254 HydrophobicContact CE1-CE2 4.31Å; D248-F254 HydrophobicContact CB-CD1 4Å; D248-F254 HydrophobicContact CB-CD2 4.18Å; D248-F254 HydrophobicContact CB-CE1 3.65Å; D248-F254 HydrophobicContact CB-CE2 3.85Å; D248-F254 HydrophobicContact CB-CG 4.25Å; D248-F254 HydrophobicContact CB-CZ 3.57Å; D248-F254 PolarHBondContact N-O 3.34Å; D248-F254 PolarHBondContact O-N 3.09Å; Q252-F254 WeakPolarHBondContact O-CD1 3.13Å; F254-F265 HydrophobicContact CE2-CZ 4.34Å; F254-R267 HydrophobicContact CB-CB 4.35Å; F254-R267 HydrophobicContact CB-CG 4.27Å; F254-R267 HydrophobicContact CD1-CG 4.34Å; F254-R267 HydrophobicContact CD2-CB 4.46Å; F254-R267 HydrophobicContact CD2-CG 3.79Å; F254-R267 VanDerWaalsContact CE1-CZ 3.46Å; F254-R267 HydrophobicContact CE2-CG 4.2Å; F254-R267 HydrophobicContact CG-CB 4.47Å; F254-R267 HydrophobicContact CG-CG 3.88Å; F254-V269 CarbonylContact C-O 3.36Å; F254-V269 WeakPolarHBondContact CA-O 3.07Å; F254-V269 WeakPolarHBondContact CB-O 3.34Å; F254-T270 HydrophobicContact CB-CG2 4.23Å
255	I	98.4	Very high	96.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.3	160.6	-58.5	171.6	0	0	0	107.4	N246 I268 V269 L273 L279 W290	N246-I255 CarbonylContact O-C 3.57Å; N246-I255 VanDerWaalsContact O-CA 3.31Å; N246-I255 WeakPolarHBondContact O-CA 3.42Å; I255-I268 HydrophobicContact CB-CG1 4.49Å; I255-I268 HydrophobicContact CG2-CD1 4.21Å; I255-I268 HydrophobicContact CG2-CG1 4.22Å; I255-I268 VanDerWaalsContact O-CG1 3.23Å; I255-I268 WeakPolarHBondContact O-CG1 3.28Å; I255-I268 PolarHBondContact O-N 2.67Å; I255-V269 HydrophobicContact CB-CB 4.12Å; I255-V269 HydrophobicContact CB-CG2 4.36Å; I255-V269 HydrophobicContact CD1-CB 4.42Å; I255-V269 HydrophobicContact CD1-CG2 4.46Å; I255-V269 HydrophobicContact CG1-CB 4.47Å; I255-V269 PolarHBondContact N-O 2.9Å; I255-V269 PolarHBondContact O-N 2.85Å; I255-L273 HydrophobicContact CG1-CD1 4.17Å; I255-L279 HydrophobicContact CD1-CD1 4.47Å; I255-L279 HydrophobicContact CG2-CD1 4.35Å; I255-W290 HydrophobicContact CD1-CB 3.83Å; I255-W290 HydrophobicContact CD1-CD2 3.33Å; I255-W290 HydrophobicContact CD1-CE3 3.7Å; I255-W290 HydrophobicContact CD1-CG 3.4Å; I255-W290 HydrophobicContact CD1-CZ2 4.46Å; I255-W290 HydrophobicContact CD1-CZ3 4.4Å
256	S	98.2	Very high	96.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	153.2	179.4	57.7	0	0	0	0	112.7	F245 N246 F265 K266	F245-S256 VanDerWaalsContact CA-O 3.26Å; F245-S256 WeakPolarHBondContact CA-O 3.16Å; N246-S256 PolarHBondContact N-O 2.79Å; N246-S256 VanDerWaalsContact N-O 3.12Å; N246-S256 PolarHBondContact O-N 2.67Å; S256-F265 VanDerWaalsContact CB-CZ 3.48Å; S256-K266 CarbonylContact C-O 3.58Å; S256-K266 VanDerWaalsContact CA-O 3.25Å; S256-K266 WeakPolarHBondContact CA-O 3.41Å; S256-K266 WeakPolarHBondContact CB-O 3.31Å
257	K	98.2	Very high	96.6	Very high	18 Å²	18	40.2 Å²	40.2	8%	0.078	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.3	167.3	177	178.2	-172.6	166.9	0	108.3	Y243 F245 K266 I268 L303 E304	Y243-K257 HydrophobicContact CD1-CD 4.08Å; Y243-K257 HydrophobicContact CD1-CG 3.68Å; Y243-K257 HydrophobicContact CE1-CD 4.29Å; Y243-K257 HydrophobicContact CE1-CG 4.26Å; Y243-K257 HydrophobicContact CG-CD 4.29Å; Y243-K257 HydrophobicContact CG-CG 4.05Å; Y243-K257 VanDerWaalsContact CZ-CE 3.4Å; F245-K257 HydrophobicContact CD1-CB 3.97Å; F245-K257 HydrophobicContact CD1-CG 4.22Å; F245-K257 HydrophobicContact CE1-CB 3.78Å; F245-K257 HydrophobicContact CE1-CD 3.89Å; F245-K257 HydrophobicContact CE1-CG 3.62Å; F245-K257 HydrophobicContact CZ-CD 4.35Å; F245-K257 HydrophobicContact CZ-CG 4.18Å; K257-K266 PolarHBondContact N-O 2.78Å; K257-K266 PolarHBondContact O-N 2.85Å; K257-I268 HydrophobicContact CB-CD1 4.3Å; K257-I268 HydrophobicContact CB-CG1 4.44Å; K257-I268 HydrophobicContact CB-CG2 3.75Å; K257-I268 HydrophobicContact CD-CG2 4.46Å; K257-L303 WeakPolarHBondContact CD-O 3.31Å; K257-E304 IonicContact NZ-OE1 3.39Å; K257-E304 PolarHBondContact NZ-OE1 3.45Å
258	A	98.1	Very high	96.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.5	178.2	0	0	0	0	0	109.8	L211 Y225 Y243 V244 S264 F265	L211-A258 HydrophobicContact CD2-CB 3.88Å; Y225-A258 HydrophobicContact CE2-CB 3.93Å; Y243-A258 CarbonylContact C-O 3.47Å; Y243-A258 WeakPolarHBondContact CA-O 3.41Å; V244-A258 HydrophobicContact CB-CB 4.49Å; V244-A258 PolarHBondContact N-O 3.21Å; V244-A258 PolarHBondContact O-N 2.84Å; A258-S264 CarbonylContact C-O 3.37Å; A258-S264 WeakPolarHBondContact CA-O 3.37Å; A258-F265 HydrophobicContact CB-CD2 3.71Å; A258-F265 HydrophobicContact CB-CE2 4.3Å
259	A	97.2	Very high	96.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	137.1	171.7	0	0	0	0	0	110.4	Y243 D261 G262 S263 S264 P396	Y243-A259 HydrophobicContact CD1-CB 4.29Å; Y243-A259 HydrophobicContact CE1-CB 4.12Å; A259-D261 WeakPolarHBondContact CB-OD1 3.41Å; A259-D261 PolarHBondContact O-N 2.91Å; A259-G262 PolarHBondContact O-N 3.23Å; A259-S263 WeakPolarHBondContact CB-OG 3.24Å; A259-S264 PolarHBondContact N-O 2.83Å; A259-P396 HydrophobicContact CB-CG 3.81Å
260	M	96.7	Very high	96.8	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24	-177	-78.9	171.1	71.5	0	0	113.1	D197 Y204 A242 V244 L394	D197-M260 HydrophobicContact CB-CE 3.59Å; D197-M260 VanDerWaalsContact CG-CE 3.4Å; D197-M260 VanDerWaalsContact OD2-CE 3.24Å; D197-M260 WeakPolarHBondContact OD2-CE 3.31Å; Y204-M260 HydrophobicContact CE1-CB 4.3Å; Y204-M260 HydrophobicContact CE1-CG 4.22Å; Y204-M260 HydrophobicContact CE2-CE 3.72Å; Y204-M260 WeakPolarHBondContact OH-CB 3.32Å; Y204-M260 PolarHBondContact OH-O 2.91Å; A242-M260 WeakPolarHBondContact O-CB 2.98Å; A242-M260 PolarHBondContact O-N 2.8Å; V244-M260 HydrophobicContact CG2-CG 3.53Å; M260-L394 VanDerWaalsContact CB-O 3.31Å; M260-L394 WeakPolarHBondContact CB-O 3.48Å; M260-L394 HydrophobicContact CE-CB 4.42Å; M260-L394 HydrophobicContact CE-CD1 4.1Å
261	D	95.3	Very high	96.9	Very high	12 Å²	12	46 Å²	46	6%	0.064	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	5.4	175.3	78.9	-29.2	0	0	0	115.1	A259 S263 L393 L394 S395 R401	A259-D261 WeakPolarHBondContact CB-OD1 3.41Å; A259-D261 PolarHBondContact O-N 2.91Å; D261-S263 VanDerWaalsContact C-N 3.31Å; D261-S263 PolarHBondContact O-N 3.42Å; D261-S263 WeakPolarHBondContact OD1-CB 3.49Å; D261-S263 PolarHBondContact OD1-N 3.15Å; D261-S263 PolarHBondContact OD1-OG 3.43Å; D261-L393 HydrophobicContact CB-CB 4.05Å; D261-L394 PolarHBondContact N-O 2.94Å; D261-S395 WeakPolarHBondContact OD2-CB 3.33Å; D261-S395 PolarHBondContact OD2-OG 2.75Å; D261-R401 HydrophobicContact CB-CB 4.15Å; D261-R401 WeakPolarHBondContact OD2-CD 3.3Å; D261-R401 IonicContact OD2-NH1 3.81Å
262	G	95.3	Very high	97	Very high	26 Å²	26	40.9 Å²	40.9	27%	0.268	23%	0.233	S	C	.	.	S	Bend	trans	76.8	8.6	-178.1	0	0	0	0	0	115.3	Y225 A259	Y225-G262 VanDerWaalsContact OH-CA 3.27Å; Y225-G262 WeakPolarHBondContact OH-CA 3.28Å; Y225-G262 PolarHBondContact OH-O 2.93Å; A259-G262 PolarHBondContact O-N 3.23Å
263	S	95.2	Very high	97.1	Very high	63 Å²	63	35.2 Å²	35.2	44%	0.441	21%	0.207	S	C	.	.	S	Bend	trans	-74.2	-26	-175.2	58.1	0	0	0	0	115.7	A259 D261	A259-S263 WeakPolarHBondContact CB-OG 3.24Å; D261-S263 VanDerWaalsContact C-N 3.31Å; D261-S263 PolarHBondContact O-N 3.42Å; D261-S263 WeakPolarHBondContact OD1-CB 3.49Å; D261-S263 PolarHBondContact OD1-N 3.15Å; D261-S263 PolarHBondContact OD1-OG 3.43Å
264	S	95.8	Very high	97	Very high	56 Å²	56	35.9 Å²	35.9	39%	0.392	21%	0.213	S	C	.	.			trans	-155.9	139.1	-177	56.2	0	0	0	0	113	Y225 A258 A259	Y225-S264 PolarHBondContact OH-N 3.01Å; Y225-S264 VanDerWaalsContact OH-N 3.17Å; Y225-S264 PolarHBondContact OH-O 3.28Å; A258-S264 CarbonylContact C-O 3.37Å; A258-S264 WeakPolarHBondContact CA-O 3.37Å; A259-S264 PolarHBondContact N-O 2.83Å
265	F	97.4	Very high	96.9	Very high	56 Å²	56	40.9 Å²	40.9	25%	0.246	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131.1	174.5	-176.8	-81.3	0	0	0	109.6	Y225 V228 F229 F254 S256 A258 R267	Y225-F265 HydrophobicContact CD1-CB 4.02Å; Y225-F265 HydrophobicContact CD1-CD2 4.41Å; Y225-F265 HydrophobicContact CD1-CG 4.49Å; Y225-F265 HydrophobicContact CD2-CD2 4.22Å; Y225-F265 HydrophobicContact CE1-CB 3.6Å; Y225-F265 HydrophobicContact CE1-CG 4.48Å; Y225-F265 HydrophobicContact CE2-CD2 4.36Å; Y225-F265 HydrophobicContact CG-CD2 4.23Å; V228-F265 HydrophobicContact CB-CE1 4.25Å; V228-F265 HydrophobicContact CB-CE2 4.05Å; V228-F265 HydrophobicContact CB-CZ 3.83Å; V228-F265 HydrophobicContact CG1-CD1 4.47Å; V228-F265 HydrophobicContact CG1-CD2 4.47Å; V228-F265 HydrophobicContact CG1-CE1 4.34Å; V228-F265 HydrophobicContact CG1-CE2 4.35Å; V228-F265 HydrophobicContact CG1-CZ 4.29Å; V228-F265 HydrophobicContact CG2-CE2 4.05Å; V228-F265 HydrophobicContact CG2-CZ 4.26Å; F229-F265 HydrophobicContact CE1-CE2 4.21Å; F229-F265 HydrophobicContact CE1-CZ 4.19Å; F229-F265 HydrophobicContact CZ-CE2 4.34Å; F254-F265 HydrophobicContact CE2-CZ 4.34Å; S256-F265 VanDerWaalsContact CB-CZ 3.48Å; A258-F265 HydrophobicContact CB-CD2 3.71Å; A258-F265 HydrophobicContact CB-CE2 4.3Å; F265-R267 HydrophobicContact CE1-CG 4.4Å
266	K	97.4	Very high	96.8	Very high	106 Å²	106	40.9 Å²	40.9	46%	0.461	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	134.4	-176.9	179.7	-179	169.9	-168.8	0	110.4	S256 K257 I268 E304	S256-K266 CarbonylContact C-O 3.58Å; S256-K266 VanDerWaalsContact CA-O 3.25Å; S256-K266 WeakPolarHBondContact CA-O 3.41Å; S256-K266 WeakPolarHBondContact CB-O 3.31Å; K257-K266 PolarHBondContact N-O 2.78Å; K257-K266 PolarHBondContact O-N 2.85Å; K266-I268 HydrophobicContact CD-CG2 4.07Å; K266-I268 HydrophobicContact CG-CG2 4.1Å; K266-I268 PolarHBondContact O-N 2.84Å; K266-E304 IonicContact NZ-OE2 2.82Å; K266-E304 PolarHBondContact NZ-OE2 3.05Å
267	R	97.7	Very high	96.5	Very high	105 Å²	105	41.2 Å²	41.2	40%	0.396	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	115.2	164.4	-60.6	-177.9	178.9	173.8	-0.2	107.6	F254 F265 T270	F254-R267 HydrophobicContact CB-CB 4.35Å; F254-R267 HydrophobicContact CB-CG 4.27Å; F254-R267 HydrophobicContact CD1-CG 4.34Å; F254-R267 HydrophobicContact CD2-CB 4.46Å; F254-R267 HydrophobicContact CD2-CG 3.79Å; F254-R267 VanDerWaalsContact CE1-CZ 3.46Å; F254-R267 HydrophobicContact CE2-CG 4.2Å; F254-R267 HydrophobicContact CG-CB 4.47Å; F254-R267 HydrophobicContact CG-CG 3.88Å; F265-R267 HydrophobicContact CE1-CG 4.4Å; R267-T270 HydrophobicContact CB-CG2 3.64Å
268	I	98.1	Very high	96.3	Very high	21 Å²	21	40.4 Å²	40.4	11%	0.108	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-27.1	-174.4	53	162.8	0	0	0	112.9	F245 I255 K257 K266 L288	F245-I268 HydrophobicContact CD1-CD1 4.1Å; F245-I268 HydrophobicContact CE1-CD1 4.22Å; I255-I268 HydrophobicContact CB-CG1 4.49Å; I255-I268 HydrophobicContact CG2-CD1 4.21Å; I255-I268 HydrophobicContact CG2-CG1 4.22Å; I255-I268 VanDerWaalsContact O-CG1 3.23Å; I255-I268 WeakPolarHBondContact O-CG1 3.28Å; I255-I268 PolarHBondContact O-N 2.67Å; K257-I268 HydrophobicContact CB-CD1 4.3Å; K257-I268 HydrophobicContact CB-CG1 4.44Å; K257-I268 HydrophobicContact CB-CG2 3.75Å; K257-I268 HydrophobicContact CD-CG2 4.46Å; K266-I268 HydrophobicContact CD-CG2 4.07Å; K266-I268 HydrophobicContact CG-CG2 4.1Å; K266-I268 PolarHBondContact O-N 2.84Å; I268-L288 HydrophobicContact CD1-CD1 3.51Å
269	V	98	Very high	96.3	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.03	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	125.8	171.3	-170.4	0	0	0	0	108.1	F254 I255 L273 W290	F254-V269 CarbonylContact C-O 3.36Å; F254-V269 WeakPolarHBondContact CA-O 3.07Å; F254-V269 WeakPolarHBondContact CB-O 3.34Å; I255-V269 HydrophobicContact CB-CB 4.12Å; I255-V269 HydrophobicContact CB-CG2 4.36Å; I255-V269 HydrophobicContact CD1-CB 4.42Å; I255-V269 HydrophobicContact CD1-CG2 4.46Å; I255-V269 HydrophobicContact CG1-CB 4.47Å; I255-V269 PolarHBondContact N-O 2.9Å; I255-V269 PolarHBondContact O-N 2.85Å; V269-L273 HydrophobicContact CB-CD1 4.13Å; V269-L273 HydrophobicContact CG1-CD1 3.79Å; V269-L273 HydrophobicContact CG1-CD2 4.43Å; V269-L273 HydrophobicContact CG1-CG 4.14Å; V269-W290 HydrophobicContact CG1-CZ2 4.25Å; V269-W290 HydrophobicContact CG2-CH2 4.08Å; V269-W290 HydrophobicContact CG2-CZ2 4.41Å
270	T	97.3	Very high	96.2	Very high	86 Å²	86	41.4 Å²	41.4	53%	0.528	24%	0.236	S	C	.	.			trans	-137.4	4.2	-174.8	53.8	0	0	0	0	113.5	F254 R267	F254-T270 HydrophobicContact CB-CG2 4.23Å; R267-T270 HydrophobicContact CB-CG2 3.64Å
271	T	96.6	Very high	96.2	Very high	93 Å²	93	41.8 Å²	41.8	57%	0.571	24%	0.239	S	C	*	.	S	Bend	trans	-128.8	147.1	-175.2	57.7	0	0	0	0	110.1	L273 R308	T271-L273 VanDerWaalsContact C-N 3.31Å; T271-L273 PolarHBondContact O-N 3.31Å; T271-R308 PolarHBondContact O-NH1 2.84Å; T271-R308 PolarHBondContact O-NH2 3.03Å; T271-R308 PolarHBondContact OG1-NH1 3.3Å
272	G	95	Very high	96.2	Very high	51 Å²	51	41.9 Å²	41.9	53%	0.526	24%	0.239	S	C	.	.	S	Bend	trans	56.8	45.1	-179.3	0	0	0	0	0	112.5	R308	G272-R308 PolarHBondContact O-NH2 3.12Å
273	L	96.8	Very high	96	Very high	27 Å²	27	42.1 Å²	42.1	14%	0.141	23%	0.233	C	C	.	.			trans	-131.9	143.7	174.4	-65.3	176.7	0	0	0	108	A253 I255 V269 T271 P276 D292	A253-L273 HydrophobicContact CB-CB 3.87Å; I255-L273 HydrophobicContact CG1-CD1 4.17Å; V269-L273 HydrophobicContact CB-CD1 4.13Å; V269-L273 HydrophobicContact CG1-CD1 3.79Å; V269-L273 HydrophobicContact CG1-CD2 4.43Å; V269-L273 HydrophobicContact CG1-CG 4.14Å; T271-L273 VanDerWaalsContact C-N 3.31Å; T271-L273 PolarHBondContact O-N 3.31Å; L273-P276 HydrophobicContact CD2-CB 4.33Å; L273-D292 WeakPolarHBondContact CA-OD2 3.46Å
274	A	95.7	Very high	95.7	Very high	25 Å²	25	46.7 Å²	46.7	21%	0.207	24%	0.242	C	C	.	.	S	Bend	trans	-133.7	-68.1	171.5	0	0	0	0	0	109.3	A253 P276 D292 F294 L295	A253-A274 WeakPolarHBondContact CB-O 3.47Å; A274-P276 VanDerWaalsContact C-CD 3.42Å; A274-P276 VanDerWaalsContact O-CD 3.32Å; A274-P276 WeakPolarHBondContact O-CD 3.33Å; A274-D292 PolarHBondContact N-OD2 3.22Å; A274-F294 HydrophobicContact CB-CB 3.78Å; A274-F294 HydrophobicContact CB-CD1 3.52Å; A274-F294 HydrophobicContact CB-CE1 4.44Å; A274-F294 HydrophobicContact CB-CG 3.91Å; A274-L295 HydrophobicContact CB-CD1 4.38Å; A274-L295 HydrophobicContact CB-CG 4.19Å
275	W	95.5	Very high	95.6	Very high	108 Å²	108	46.7 Å²	46.7	41%	0.409	25%	0.245	S	C	.	.			trans	-121.5	71.3	178.9	-62.8	-16.4	0	0	0	112.2	W249 N277 D292 A293 F294	W249-W275 AromaticContact CE3-CD1 3.97Å; W275-N277 PolarHBondContact O-N 3.15Å; W275-D292 VanDerWaalsContact N-CG 3.35Å; W275-D292 PolarHBondContact N-OD1 3.36Å; W275-D292 PolarHBondContact N-OD2 3.27Å; W275-D292 WeakPolarHBondContact O-CA 3.29Å; W275-A293 HydrophobicContact CB-CB 4.44Å; W275-A293 PolarHBondContact O-N 3.42Å; W275-F294 HydrophobicContact CB-CB 4.09Å; W275-F294 HydrophobicContact CD2-CB 3.7Å; W275-F294 HydrophobicContact CD2-CD2 4.35Å; W275-F294 HydrophobicContact CD2-CG 4.41Å; W275-F294 HydrophobicContact CE3-CB 3.74Å; W275-F294 HydrophobicContact CE3-CD2 4.28Å; W275-F294 HydrophobicContact CG-CB 3.89Å; W275-F294 HydrophobicContact CH2-CD2 4.08Å; W275-F294 HydrophobicContact CZ2-CD2 4.14Å; W275-F294 HydrophobicContact CZ3-CB 4.39Å; W275-F294 HydrophobicContact CZ3-CD2 4.15Å
276	P	96.6	Very high	95.4	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	75.7	177.2	30.1	-36.7	0	0	0	111.7	S247 D248 A253 L273 A274 A291	S247-P276 WeakPolarHBondContact CB-O 3.47Å; S247-P276 PolarHBondContact OG-O 2.77Å; D248-P276 WeakPolarHBondContact O-CG 3.4Å; A253-P276 HydrophobicContact CB-CG 4.47Å; L273-P276 HydrophobicContact CD2-CB 4.33Å; A274-P276 VanDerWaalsContact C-CD 3.42Å; A274-P276 VanDerWaalsContact O-CD 3.32Å; A274-P276 WeakPolarHBondContact O-CD 3.33Å; P276-A291 CarbonylContact C-O 3.56Å; P276-A291 WeakPolarHBondContact CA-O 3.48Å
277	N	93.2	Very high	95.3	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.043	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-49.5	-174.6	-83.3	-25.3	0	0	0	112.3	R233 A234 W275 A291 A293 V321 F322	R233-N277 HydrophobicContact CG-CB 4.45Å; R233-N277 WeakPolarHBondContact CG-O 3.3Å; R233-N277 PolarHBondContact NE-OD1 3.01Å; R233-N277 VanDerWaalsContact NE-OD1 3.1Å; A234-N277 WeakPolarHBondContact CB-O 3.24Å; W275-N277 PolarHBondContact O-N 3.15Å; N277-A291 PolarHBondContact N-O 3.43Å; N277-A291 VanDerWaalsContact N-O 3.09Å; N277-A293 HydrophobicContact CB-CB 4.44Å; N277-A293 VanDerWaalsContact ND2-CB 3.33Å; N277-A293 WeakPolarHBondContact ND2-CB 3.16Å; N277-V321 WeakPolarHBondContact CB-O 3.37Å; N277-V321 PolarHBondContact ND2-O 3Å; N277-F322 CarbonylContact C-O 3.6Å
278	G	93.5	Very high	95.4	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.7	-176.2	0	0	0	0	0	111.7	W290 A291 F322	G278-W290 CarbonylContact O-C 3.56Å; G278-W290 WeakPolarHBondContact O-CA 3.48Å; G278-W290 WeakPolarHBondContact O-CB 3.26Å; G278-A291 PolarHBondContact N-O 2.91Å; G278-A291 PolarHBondContact O-N 2.93Å; G278-F322 WeakPolarHBondContact CA-O 3.5Å; G278-F322 PolarHBondContact N-O 2.91Å
279	L	96.9	Very high	95.4	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	133.6	174.5	-176.1	66.5	0	0	0	109.8	A234 V236 F245 I255 W290	A234-L279 HydrophobicContact CB-CB 3.54Å; V236-L279 WeakPolarHBondContact CG1-O 3.49Å; V236-L279 HydrophobicContact CG2-CD2 4.04Å; V236-L279 HydrophobicContact CG2-CG 4.02Å; F245-L279 HydrophobicContact CB-CD2 4.04Å; I255-L279 HydrophobicContact CD1-CD1 4.47Å; I255-L279 HydrophobicContact CG2-CD1 4.35Å; L279-W290 HydrophobicContact CD1-CB 3.98Å
280	T	96.6	Very high	95.3	Very high	18 Å²	18	39 Å²	39	11%	0.11	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	162.1	172.9	-161	0	0	0	0	111	Y289 L324 V326	T280-Y289 HydrophobicContact CG2-CD2 4.49Å; T280-Y289 PolarHBondContact N-O 2.71Å; T280-Y289 PolarHBondContact O-N 2.73Å; T280-L324 WeakPolarHBondContact CB-O 3.34Å; T280-L324 HydrophobicContact CG2-CD2 3.94Å; T280-L324 HydrophobicContact CG2-CG 3.79Å; T280-V326 HydrophobicContact CG2-CB 4.07Å; T280-V326 HydrophobicContact CG2-CG1 4.1Å
281	V	95.9	Very high	95.3	Very high	9 Å²	9	35 Å²	35	6%	0.055	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139	179.6	67.5	0	0	0	0	110.3	V236 H283 R287 L288 L303 V326	V236-V281 HydrophobicContact CB-CG1 4.35Å; V236-V281 HydrophobicContact CG2-CB 4.22Å; V236-V281 HydrophobicContact CG2-CG1 4.11Å; V281-H283 WeakPolarHBondContact CG1-CE1 3.46Å; V281-R287 WeakPolarHBondContact CA-O 3.36Å; V281-L288 HydrophobicContact CB-CD2 3.95Å; V281-L288 HydrophobicContact CG2-CD2 3.82Å; V281-L303 HydrophobicContact CG2-CD2 3.93Å; V281-V326 WeakPolarHBondContact O-CG1 3.49Å
282	D	94.7	Very high	95.3	Very high	14 Å²	14	30.5 Å²	30.5	8%	0.075	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	102.8	173.3	-173.2	-28.3	0	0	0	108.6	Y284 A285 D286 R287 Y289 V326 K346	D282-Y284 PolarHBondContact O-N 2.99Å; D282-Y284 PolarHBondContact OD1-N 2.9Å; D282-A285 HydrophobicContact CB-CB 4.08Å; D282-A285 PolarHBondContact O-N 3.12Å; D282-A285 PolarHBondContact OD1-N 3.03Å; D282-D286 PolarHBondContact O-N 2.88Å; D282-R287 HydrophobicContact CB-CB 4.48Å; D282-R287 PolarHBondContact N-O 3.12Å; D282-R287 PolarHBondContact O-N 3.18Å; D282-Y289 HydrophobicContact CB-CE2 4Å; D282-V326 HydrophobicContact CB-CG1 4.09Å; D282-V326 HydrophobicContact CB-CG2 4.47Å; D282-K346 IonicContact OD2-NZ 3.45Å; D282-K346 PolarHBondContact OD2-NZ 2.92Å
283	H	91.6	Very high	95.2	Very high	31 Å²	31	28.3 Å²	28.3	14%	0.144	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.4	-173.3	-69.1	-62.9	0	0	0	115.5	W198 V237 H238 V281 A372 P374	W198-H283 AromaticContact CH2-CE1 3.77Å; W198-H283 AromaticContact CH2-NE2 3.65Å; V237-H283 PolarHBondContact O-CE1 2.87Å; V237-H283 VanDerWaalsContact O-CE1 3.27Å; H238-H283 AromaticContact CD2-CE1 3.9Å; H238-H283 AromaticContact CD2-ND1 3.29Å; H238-H283 PolarHBondContact CD2-ND1 2.83Å; H238-H283 VanDerWaalsContact CD2-ND1 3.29Å; H238-H283 AromaticContact CE1-ND1 3.63Å; H238-H283 AromaticContact CG-ND1 3.58Å; H238-H283 AromaticContact ND1-ND1 3.78Å; H238-H283 WeakPolarHBondContact NE2-CA 3.12Å; H238-H283 AromaticContact NE2-ND1 3.29Å; H238-H283 PolarHBondContact NE2-ND1 3.08Å; V281-H283 WeakPolarHBondContact CG1-CE1 3.46Å; H283-A372 PolarHBondContact CD2-O 3.21Å; H283-A372 VanDerWaalsContact CD2-O 3.26Å; H283-P374 HydrophobicContact CB-CG 3.97Å
284	Y	90	Very high	95	Very high	158 Å²	158	33 Å²	33	62%	0.62	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-22.5	177.1	-65	-73.5	0	0	0	112.5	D282 A371 P374	D282-Y284 PolarHBondContact O-N 2.99Å; D282-Y284 PolarHBondContact OD1-N 2.9Å; Y284-A371 HydrophobicContact CE2-CB 4.01Å; Y284-A371 WeakPolarHBondContact CE2-O 3.49Å; Y284-P374 HydrophobicContact CE1-CB 4.34Å; Y284-P374 HydrophobicContact CE1-CG 4.09Å; Y284-P374 HydrophobicContact CE2-CG 4.11Å
285	A	92	Very high	94.9	Very high	56 Å²	56	34.9 Å²	34.9	46%	0.463	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-0.7	-179.2	0	0	0	0	0	113.8	D282 R287	D282-A285 HydrophobicContact CB-CB 4.08Å; D282-A285 PolarHBondContact O-N 3.12Å; D282-A285 PolarHBondContact OD1-N 3.03Å; A285-R287 HydrophobicContact CB-CB 4.06Å; A285-R287 PolarHBondContact O-N 3Å
286	D	94.5	Very high	94.8	Very high	83 Å²	83	31.4 Å²	31.4	44%	0.444	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	47.6	-172.3	-78.9	-48.1	0	0	0	111.6	H238 D282 L303	H238-D286 IonicContact CE1-OD1 2.65Å; H238-D286 IonicContact NE2-OD1 2.89Å; H238-D286 PolarHBondContact NE2-OD1 2.98Å; D282-D286 PolarHBondContact O-N 2.88Å; D286-L303 HydrophobicContact CB-CD1 4.06Å; D286-L303 HydrophobicContact CB-CG 4.04Å; D286-L303 WeakPolarHBondContact O-CD2 3.31Å; D286-L303 WeakPolarHBondContact O-CG 3.23Å; D286-L303 PolarHBondContact O-N 3.29Å; D286-L303 WeakPolarHBondContact OD1-CD1 3.23Å
287	R	96	Very high	94.7	Very high	47 Å²	47	32.1 Å²	32.1	18%	0.177	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.9	-168	-152.2	176.6	175.4	98.8	17.7	112.7	V281 D282 A285 Y289 S300 S301 S307	V281-R287 WeakPolarHBondContact CA-O 3.36Å; D282-R287 HydrophobicContact CB-CB 4.48Å; D282-R287 PolarHBondContact N-O 3.12Å; D282-R287 PolarHBondContact O-N 3.18Å; A285-R287 HydrophobicContact CB-CB 4.06Å; A285-R287 PolarHBondContact O-N 3Å; R287-Y289 HydrophobicContact CB-CE2 4.19Å; R287-Y289 HydrophobicContact CG-CE2 4.34Å; R287-S300 WeakPolarHBondContact CD-OG 3.22Å; R287-S300 WeakPolarHBondContact CG-OG 3.21Å; R287-S300 PolarHBondContact NE-OG 3.21Å; R287-S300 PolarHBondContact NH2-O 3.06Å; R287-S301 WeakPolarHBondContact CG-O 3.31Å; R287-S307 PolarHBondContact NH2-O 3.44Å
288	L	97.9	Very high	94.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	148.7	174	-64.8	172.8	0	0	0	110.5	F245 I268 V281 W290 S300 S301 L303	F245-L288 HydrophobicContact CB-CD2 4.2Å; F245-L288 HydrophobicContact CD1-CD1 3.71Å; F245-L288 HydrophobicContact CD1-CD2 4Å; F245-L288 HydrophobicContact CD1-CG 4.43Å; F245-L288 HydrophobicContact CD2-CD2 4.01Å; F245-L288 HydrophobicContact CE1-CD1 3.94Å; F245-L288 HydrophobicContact CE1-CD2 4.38Å; F245-L288 HydrophobicContact CE2-CD2 4.41Å; F245-L288 HydrophobicContact CG-CD1 4.33Å; F245-L288 HydrophobicContact CG-CD2 3.8Å; I268-L288 HydrophobicContact CD1-CD1 3.51Å; V281-L288 HydrophobicContact CB-CD2 3.95Å; V281-L288 HydrophobicContact CG2-CD2 3.82Å; L288-W290 HydrophobicContact CB-CE3 4.48Å; L288-W290 HydrophobicContact CB-CZ3 4.48Å; L288-S300 WeakPolarHBondContact O-CA 3.47Å; L288-S300 VanDerWaalsContact O-CB 3.31Å; L288-S300 WeakPolarHBondContact O-CB 3.43Å; L288-S300 PolarHBondContact O-OG 2.94Å; L288-S301 PolarHBondContact N-O 3.21Å; L288-S301 PolarHBondContact O-N 3.07Å; L288-L303 HydrophobicContact CD2-CD2 4.19Å; L288-L303 HydrophobicContact CG-CD2 3.97Å
289	Y	98.1	Very high	95	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	135.6	167.1	-61.4	-100.9	0	0	0	108.5	T280 D282 R287 E299 S300 V311 L324 V326 L331 K346	T280-Y289 HydrophobicContact CG2-CD2 4.49Å; T280-Y289 PolarHBondContact N-O 2.71Å; T280-Y289 PolarHBondContact O-N 2.73Å; D282-Y289 HydrophobicContact CB-CE2 4Å; R287-Y289 HydrophobicContact CB-CE2 4.19Å; R287-Y289 HydrophobicContact CG-CE2 4.34Å; Y289-E299 VanDerWaalsContact CA-O 3.28Å; Y289-E299 WeakPolarHBondContact CA-O 3.33Å; Y289-S300 VanDerWaalsContact CD1-CB 3.41Å; Y289-S300 WeakPolarHBondContact CD1-OG 3.35Å; Y289-S300 VanDerWaalsContact CE1-OG 3.31Å; Y289-S300 WeakPolarHBondContact CE1-OG 3.13Å; Y289-V311 HydrophobicContact CD1-CG2 4.2Å; Y289-V311 HydrophobicContact CE1-CG2 4.21Å; Y289-L324 WeakPolarHBondContact O-CD2 3.17Å; Y289-V326 HydrophobicContact CE2-CG2 4.47Å; Y289-L331 HydrophobicContact CD1-CD1 3.63Å; Y289-L331 HydrophobicContact CD1-CD2 3.75Å; Y289-L331 HydrophobicContact CD1-CG 4.24Å; Y289-L331 HydrophobicContact CD2-CD2 4.26Å; Y289-L331 HydrophobicContact CE1-CD1 4.13Å; Y289-L331 HydrophobicContact CE1-CD2 4.14Å; Y289-L331 HydrophobicContact CG-CD1 4.36Å; Y289-L331 HydrophobicContact CG-CD2 3.82Å; Y289-K346 HydrophobicContact CE1-CB 4.25Å
290	W	97.7	Very high	95.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.8	175.4	64.5	94	0	0	0	111.5	I255 V269 G278 L279 L288 I298 E299 S301 R308	I255-W290 HydrophobicContact CD1-CB 3.83Å; I255-W290 HydrophobicContact CD1-CD2 3.33Å; I255-W290 HydrophobicContact CD1-CE3 3.7Å; I255-W290 HydrophobicContact CD1-CG 3.4Å; I255-W290 HydrophobicContact CD1-CZ2 4.46Å; I255-W290 HydrophobicContact CD1-CZ3 4.4Å; V269-W290 HydrophobicContact CG1-CZ2 4.25Å; V269-W290 HydrophobicContact CG2-CH2 4.08Å; V269-W290 HydrophobicContact CG2-CZ2 4.41Å; G278-W290 CarbonylContact O-C 3.56Å; G278-W290 WeakPolarHBondContact O-CA 3.48Å; G278-W290 WeakPolarHBondContact O-CB 3.26Å; L279-W290 HydrophobicContact CD1-CB 3.98Å; L288-W290 HydrophobicContact CB-CE3 4.48Å; L288-W290 HydrophobicContact CB-CZ3 4.48Å; W290-I298 CarbonylContact O-C 3.23Å; W290-I298 VanDerWaalsContact O-CA 3.31Å; W290-I298 WeakPolarHBondContact O-CA 3.35Å; W290-E299 HydrophobicContact CD2-CB 4.08Å; W290-E299 VanDerWaalsContact CE2-CB 3.46Å; W290-E299 HydrophobicContact CH2-CB 4.09Å; W290-E299 HydrophobicContact CZ2-CB 3.47Å; W290-E299 VanDerWaalsContact CZ2-CB 3.47Å; W290-E299 HydrophobicContact CZ2-CG 4.3Å; W290-E299 WeakPolarHBondContact CZ2-OE2 3.34Å; W290-E299 PolarHBondContact N-O 3.29Å; W290-E299 PolarHBondContact NE1-OE2 3.26Å; W290-E299 VanDerWaalsContact NE1-OE2 3.12Å; W290-E299 PolarHBondContact O-N 3.29Å; W290-S301 WeakPolarHBondContact CZ3-OG 3.49Å; W290-R308 HydrophobicContact CH2-CG 4.07Å; W290-R308 HydrophobicContact CZ2-CG 4.25Å
291	A	96.5	Very high	95.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.4	175.1	0	0	0	0	0	109.6	P276 N277 G278 I297 I298 V321 L324	P276-A291 CarbonylContact C-O 3.56Å; P276-A291 WeakPolarHBondContact CA-O 3.48Å; N277-A291 PolarHBondContact N-O 3.43Å; N277-A291 VanDerWaalsContact N-O 3.09Å; G278-A291 PolarHBondContact N-O 2.91Å; G278-A291 PolarHBondContact O-N 2.93Å; A291-I297 WeakPolarHBondContact CA-O 3.26Å; A291-I298 HydrophobicContact CB-CG1 4Å; A291-V321 HydrophobicContact CB-CB 3.74Å; A291-V321 HydrophobicContact CB-CG1 3.47Å; A291-V321 VanDerWaalsContact CB-CG1 3.47Å; A291-V321 HydrophobicContact CB-CG2 3.93Å; A291-L324 HydrophobicContact CB-CD2 4.41Å
292	D	95.9	Very high	95.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.2	173.1	-163.9	-59.6	0	0	0	109.6	L273 A274 W275 F294 L295 D296 I297	L273-D292 WeakPolarHBondContact CA-OD2 3.46Å; A274-D292 PolarHBondContact N-OD2 3.22Å; W275-D292 VanDerWaalsContact N-CG 3.35Å; W275-D292 PolarHBondContact N-OD1 3.36Å; W275-D292 PolarHBondContact N-OD2 3.27Å; W275-D292 WeakPolarHBondContact O-CA 3.29Å; D292-F294 VanDerWaalsContact C-N 3.34Å; D292-F294 PolarHBondContact OD1-N 2.87Å; D292-L295 HydrophobicContact CB-CB 4.22Å; D292-L295 PolarHBondContact OD1-N 2.78Å; D292-D296 PolarHBondContact O-N 2.81Å; D292-I297 HydrophobicContact CB-CG2 3.78Å; D292-I297 PolarHBondContact N-O 2.9Å; D292-I297 PolarHBondContact O-N 2.79Å
293	A	93.1	Very high	95.3	Very high	5 Å²	5	32.7 Å²	32.7	4%	0.041	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	2	-172.5	0	0	0	0	0	114.2	W275 N277	W275-A293 HydrophobicContact CB-CB 4.44Å; W275-A293 PolarHBondContact O-N 3.42Å; N277-A293 HydrophobicContact CB-CB 4.44Å; N277-A293 VanDerWaalsContact ND2-CB 3.33Å; N277-A293 WeakPolarHBondContact ND2-CB 3.16Å
294	F	92.8	Very high	95.6	Very high	124 Å²	124	33.7 Å²	33.7	54%	0.544	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-26.7	170.7	179.6	-95.2	0	0	0	111.9	A274 W275 D292	A274-F294 HydrophobicContact CB-CB 3.78Å; A274-F294 HydrophobicContact CB-CD1 3.52Å; A274-F294 HydrophobicContact CB-CE1 4.44Å; A274-F294 HydrophobicContact CB-CG 3.91Å; W275-F294 HydrophobicContact CB-CB 4.09Å; W275-F294 HydrophobicContact CD2-CB 3.7Å; W275-F294 HydrophobicContact CD2-CD2 4.35Å; W275-F294 HydrophobicContact CD2-CG 4.41Å; W275-F294 HydrophobicContact CE3-CB 3.74Å; W275-F294 HydrophobicContact CE3-CD2 4.28Å; W275-F294 HydrophobicContact CG-CB 3.89Å; W275-F294 HydrophobicContact CH2-CD2 4.08Å; W275-F294 HydrophobicContact CZ2-CD2 4.14Å; W275-F294 HydrophobicContact CZ3-CB 4.39Å; W275-F294 HydrophobicContact CZ3-CD2 4.15Å; D292-F294 VanDerWaalsContact C-N 3.34Å; D292-F294 PolarHBondContact OD1-N 2.87Å
295	L	93.7	Very high	95.9	Very high	66 Å²	66	27 Å²	27	35%	0.346	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	2.8	-177.7	-61.2	175.7	0	0	0	113.5	A274 D292 I297	A274-L295 HydrophobicContact CB-CD1 4.38Å; A274-L295 HydrophobicContact CB-CG 4.19Å; D292-L295 HydrophobicContact CB-CB 4.22Å; D292-L295 PolarHBondContact OD1-N 2.78Å; L295-I297 HydrophobicContact CB-CG2 3.44Å; L295-I297 VanDerWaalsContact CB-CG2 3.44Å; L295-I297 PolarHBondContact O-N 2.88Å
296	D	93.3	Very high	96.1	Very high	34 Å²	34	31.7 Å²	31.7	18%	0.182	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	50.9	-179.9	-58.5	-11.7	0	0	0	113.9	D292 T315	D292-D296 PolarHBondContact O-N 2.81Å; D296-T315 HydrophobicContact CB-CG2 4.02Å; D296-T315 WeakPolarHBondContact OD2-CB 3.35Å; D296-T315 WeakPolarHBondContact OD2-CG2 3.33Å
297	I	95.2	Very high	96.2	Very high	16 Å²	16	32 Å²	32	8%	0.082	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	138.9	-164.7	-176.7	-180	0	0	0	112.4	A291 D292 L295 E299 V310 L312 K313	A291-I297 WeakPolarHBondContact CA-O 3.26Å; D292-I297 HydrophobicContact CB-CG2 3.78Å; D292-I297 PolarHBondContact N-O 2.9Å; D292-I297 PolarHBondContact O-N 2.79Å; L295-I297 HydrophobicContact CB-CG2 3.44Å; L295-I297 VanDerWaalsContact CB-CG2 3.44Å; L295-I297 PolarHBondContact O-N 2.88Å; I297-E299 HydrophobicContact CD1-CG 3.5Å; I297-E299 VanDerWaalsContact CD1-CG 3.5Å; I297-E299 HydrophobicContact CG1-CG 3.75Å; I297-V310 HydrophobicContact CD1-CG1 3.99Å; I297-V310 HydrophobicContact CD1-CG2 3.98Å; I297-V310 HydrophobicContact CG1-CG1 3.96Å; I297-L312 WeakPolarHBondContact CA-O 3.3Å; I297-K313 HydrophobicContact CB-CG 4.4Å; I297-K313 HydrophobicContact CG1-CB 4.27Å
298	I	96.4	Very high	96.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127	166.6	-59.4	174.8	0	0	0	108.6	W290 A291 V311 L312 I318 L331 W333	W290-I298 CarbonylContact O-C 3.23Å; W290-I298 VanDerWaalsContact O-CA 3.31Å; W290-I298 WeakPolarHBondContact O-CA 3.35Å; A291-I298 HydrophobicContact CB-CG1 4Å; I298-V311 HydrophobicContact CG2-CB 4.33Å; I298-V311 PolarHBondContact O-N 3.27Å; I298-L312 HydrophobicContact CB-CB 4.47Å; I298-L312 PolarHBondContact N-O 2.92Å; I298-L312 PolarHBondContact O-N 3.25Å; I298-I318 HydrophobicContact CD1-CD1 4.2Å; I298-I318 HydrophobicContact CD1-CG2 4.49Å; I298-I318 HydrophobicContact CG1-CD1 3.94Å; I298-I318 HydrophobicContact CG1-CG2 4.35Å; I298-L331 HydrophobicContact CG2-CD1 3.72Å; I298-W333 HydrophobicContact CD1-CD2 3.98Å; I298-W333 HydrophobicContact CD1-CE3 3.84Å; I298-W333 HydrophobicContact CD1-CH2 4.38Å; I298-W333 HydrophobicContact CD1-CZ3 4.05Å
299	E	96.9	Very high	96.1	Very high	13 Å²	13	37.6 Å²	37.6	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	171.3	-179.2	-67.3	-169.2	97.5	0	0	112.5	Y289 W290 I297 R308 R309	Y289-E299 VanDerWaalsContact CA-O 3.28Å; Y289-E299 WeakPolarHBondContact CA-O 3.33Å; W290-E299 HydrophobicContact CD2-CB 4.08Å; W290-E299 VanDerWaalsContact CE2-CB 3.46Å; W290-E299 HydrophobicContact CH2-CB 4.09Å; W290-E299 HydrophobicContact CZ2-CB 3.47Å; W290-E299 VanDerWaalsContact CZ2-CB 3.47Å; W290-E299 HydrophobicContact CZ2-CG 4.3Å; W290-E299 WeakPolarHBondContact CZ2-OE2 3.34Å; W290-E299 PolarHBondContact N-O 3.29Å; W290-E299 PolarHBondContact NE1-OE2 3.26Å; W290-E299 VanDerWaalsContact NE1-OE2 3.12Å; W290-E299 PolarHBondContact O-N 3.29Å; I297-E299 HydrophobicContact CD1-CG 3.5Å; I297-E299 VanDerWaalsContact CD1-CG 3.5Å; I297-E299 HydrophobicContact CG1-CG 3.75Å; E299-R308 IonicContact OE1-CZ 2.7Å; E299-R308 IonicContact OE1-NE 3.38Å; E299-R308 PolarHBondContact OE1-NE 2.89Å; E299-R308 IonicContact OE1-NH2 2.63Å; E299-R308 PolarHBondContact OE1-NH2 3.47Å; E299-R308 IonicContact OE2-CZ 3.76Å; E299-R308 IonicContact OE2-NE 3.84Å; E299-R308 PolarHBondContact OE2-NE 3.22Å; E299-R308 IonicContact OE2-NH2 3.04Å; E299-R308 PolarHBondContact OE2-NH2 2.8Å; E299-R309 CarbonylContact C-O 3.57Å; E299-R309 WeakPolarHBondContact CA-O 3.49Å
300	S	97.9	Very high	96	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	137.5	179.9	-178.3	0	0	0	0	114	R287 L288 Y289 R308 R309	R287-S300 WeakPolarHBondContact CD-OG 3.22Å; R287-S300 WeakPolarHBondContact CG-OG 3.21Å; R287-S300 PolarHBondContact NE-OG 3.21Å; R287-S300 PolarHBondContact NH2-O 3.06Å; L288-S300 WeakPolarHBondContact O-CA 3.47Å; L288-S300 VanDerWaalsContact O-CB 3.31Å; L288-S300 WeakPolarHBondContact O-CB 3.43Å; L288-S300 PolarHBondContact O-OG 2.94Å; Y289-S300 VanDerWaalsContact CD1-CB 3.41Å; Y289-S300 WeakPolarHBondContact CD1-OG 3.35Å; Y289-S300 VanDerWaalsContact CE1-OG 3.31Å; Y289-S300 WeakPolarHBondContact CE1-OG 3.13Å; S300-R308 CarbonylContact O-C 3.52Å; S300-R308 WeakPolarHBondContact O-CA 3.23Å; S300-R309 PolarHBondContact N-O 3.03Å; S300-R309 PolarHBondContact O-N 3.15Å
301	S	97.9	Very high	95.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	170.8	177.9	68.9	0	0	0	0	112.1	R287 L288 W290 R306	R287-S301 WeakPolarHBondContact CG-O 3.31Å; L288-S301 PolarHBondContact N-O 3.21Å; L288-S301 PolarHBondContact O-N 3.07Å; W290-S301 WeakPolarHBondContact CZ3-OG 3.49Å; S301-R306 WeakPolarHBondContact CA-O 3.41Å; S301-R306 VanDerWaalsContact CB-O 3.32Å; S301-R306 WeakPolarHBondContact CB-O 3.43Å
302	D	97.3	Very high	95.7	Very high	34 Å²	34	42.5 Å²	42.5	18%	0.182	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	172.3	159.1	79.7	-4.5	0	0	0	111.1	E304 G305 R306	D302-E304 PolarHBondContact O-N 3.48Å; D302-E304 VanDerWaalsContact OD1-CA 3.32Å; D302-E304 WeakPolarHBondContact OD1-CA 3.34Å; D302-E304 WeakPolarHBondContact OD1-CB 3.44Å; D302-E304 PolarHBondContact OD1-N 2.78Å; D302-G305 PolarHBondContact O-N 3.02Å; D302-G305 VanDerWaalsContact O-N 3.15Å; D302-G305 PolarHBondContact OD1-N 3.22Å; D302-R306 PolarHBondContact N-O 3.13Å; D302-R306 WeakPolarHBondContact OD1-CA 3.32Å; D302-R306 PolarHBondContact OD1-N 3.37Å; D302-R306 IonicContact OD1-NE 2.76Å; D302-R306 IonicContact OD2-CZ 3.37Å; D302-R306 IonicContact OD2-NE 3.31Å; D302-R306 PolarHBondContact OD2-NE 3.21Å; D302-R306 IonicContact OD2-NH2 3.63Å; D302-R306 PolarHBondContact OD2-NH2 3.28Å
303	L	97.3	Very high	95.5	Very high	17 Å²	17	49.7 Å²	49.7	9%	0.089	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-5.3	176.6	-57	-169.6	0	0	0	114.7	F245 K257 V281 D286 L288	F245-L303 HydrophobicContact CE1-CB 4.29Å; F245-L303 HydrophobicContact CE1-CD2 4.5Å; F245-L303 HydrophobicContact CE2-CD2 4.22Å; F245-L303 HydrophobicContact CZ-CB 3.95Å; F245-L303 HydrophobicContact CZ-CD1 4.13Å; F245-L303 HydrophobicContact CZ-CD2 3.86Å; F245-L303 HydrophobicContact CZ-CG 4.18Å; K257-L303 WeakPolarHBondContact CD-O 3.31Å; V281-L303 HydrophobicContact CG2-CD2 3.93Å; D286-L303 HydrophobicContact CB-CD1 4.06Å; D286-L303 HydrophobicContact CB-CG 4.04Å; D286-L303 WeakPolarHBondContact O-CD2 3.31Å; D286-L303 WeakPolarHBondContact O-CG 3.23Å; D286-L303 PolarHBondContact O-N 3.29Å; D286-L303 WeakPolarHBondContact OD1-CD1 3.23Å; L288-L303 HydrophobicContact CD2-CD2 4.19Å; L288-L303 HydrophobicContact CG-CD2 3.97Å
304	E	97.2	Very high	95	Very high	52 Å²	52	52 Å²	52	24%	0.243	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	1.8	177.1	-74	-61.7	139.3	0	0	113.2	K257 K266 D302 R306	K257-E304 IonicContact NZ-OE1 3.39Å; K257-E304 PolarHBondContact NZ-OE1 3.45Å; K266-E304 IonicContact NZ-OE2 2.82Å; K266-E304 PolarHBondContact NZ-OE2 3.05Å; D302-E304 PolarHBondContact O-N 3.48Å; D302-E304 VanDerWaalsContact OD1-CA 3.32Å; D302-E304 WeakPolarHBondContact OD1-CA 3.34Å; D302-E304 WeakPolarHBondContact OD1-CB 3.44Å; D302-E304 PolarHBondContact OD1-N 2.78Å; E304-R306 VanDerWaalsContact C-N 3.34Å; E304-R306 HydrophobicContact CB-CG 4.26Å
305	G	96.1	Very high	94	Very high	16 Å²	16	50.3 Å²	50.3	17%	0.165	25%	0.252	C	S	.	.	S	Bend	trans	83.9	3.9	-176	0	0	0	0	0	114.6	D302	D302-G305 PolarHBondContact O-N 3.02Å; D302-G305 VanDerWaalsContact O-N 3.15Å; D302-G305 PolarHBondContact OD1-N 3.22Å
306	R	96.9	Very high	93.2	Very high	155 Å²	155	53.3 Å²	53.3	59%	0.585	27%	0.269	S	S	*	.			trans	-91.2	170.7	-179.9	-51.8	173.3	-62.7	-151.7	-2.5	111.1	S301 D302 E304 R308	S301-R306 WeakPolarHBondContact CA-O 3.41Å; S301-R306 VanDerWaalsContact CB-O 3.32Å; S301-R306 WeakPolarHBondContact CB-O 3.43Å; D302-R306 PolarHBondContact N-O 3.13Å; D302-R306 WeakPolarHBondContact OD1-CA 3.32Å; D302-R306 PolarHBondContact OD1-N 3.37Å; D302-R306 IonicContact OD1-NE 2.76Å; D302-R306 IonicContact OD2-CZ 3.37Å; D302-R306 IonicContact OD2-NE 3.31Å; D302-R306 PolarHBondContact OD2-NE 3.21Å; D302-R306 IonicContact OD2-NH2 3.63Å; D302-R306 PolarHBondContact OD2-NH2 3.28Å; E304-R306 VanDerWaalsContact C-N 3.34Å; E304-R306 HydrophobicContact CB-CG 4.26Å; R306-R308 PolarHBondContact O-N 2.99Å; R306-R308 VanDerWaalsContact O-N 3.08Å
307	S	95.6	Very high	92	Very high	91 Å²	91	52.5 Å²	52.5	64%	0.636	27%	0.266	S	S	*	.	S	Bend	trans	52.1	33.5	-177.2	-57.1	0	0	0	0	112.4	R287	R287-S307 PolarHBondContact NH2-O 3.44Å
308	R	96.7	Very high	91.1	Very high	78 Å²	78	51.7 Å²	51.7	29%	0.294	26%	0.262	S	S	.	.			trans	-62.6	132.4	179.3	178.4	177.4	177.8	175	7.8	109.5	T271 G272 W290 E299 S300 R306	T271-R308 PolarHBondContact O-NH1 2.84Å; T271-R308 PolarHBondContact O-NH2 3.03Å; T271-R308 PolarHBondContact OG1-NH1 3.3Å; G272-R308 PolarHBondContact O-NH2 3.12Å; W290-R308 HydrophobicContact CH2-CG 4.07Å; W290-R308 HydrophobicContact CZ2-CG 4.25Å; E299-R308 IonicContact OE1-CZ 2.7Å; E299-R308 IonicContact OE1-NE 3.38Å; E299-R308 PolarHBondContact OE1-NE 2.89Å; E299-R308 IonicContact OE1-NH2 2.63Å; E299-R308 PolarHBondContact OE1-NH2 3.47Å; E299-R308 IonicContact OE2-CZ 3.76Å; E299-R308 IonicContact OE2-NE 3.84Å; E299-R308 PolarHBondContact OE2-NE 3.22Å; E299-R308 IonicContact OE2-NH2 3.04Å; E299-R308 PolarHBondContact OE2-NH2 2.8Å; S300-R308 CarbonylContact O-C 3.52Å; S300-R308 WeakPolarHBondContact O-CA 3.23Å; R306-R308 PolarHBondContact O-N 2.99Å; R306-R308 VanDerWaalsContact O-N 3.08Å
309	R	95.5	Very high	90.2	Very high	86 Å²	86	53.3 Å²	53.3	33%	0.325	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	151.1	174.8	69.4	-178.2	-176.3	-177.2	0.3	110.7	E299 S300 K346	E299-R309 CarbonylContact C-O 3.57Å; E299-R309 WeakPolarHBondContact CA-O 3.49Å; S300-R309 PolarHBondContact N-O 3.03Å; S300-R309 PolarHBondContact O-N 3.15Å; R309-K346 PolarHBondContact NH2-O 2.71Å
310	V	95.5	Very high	89.8	Confident	77 Å²	77	54.9 Å²	54.9	47%	0.467	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.1	164.3	-173.4	0	0	0	0	108.5	I297 K313	I297-V310 HydrophobicContact CD1-CG1 3.99Å; I297-V310 HydrophobicContact CD1-CG2 3.98Å; I297-V310 HydrophobicContact CG1-CG1 3.96Å; V310-K313 HydrophobicContact CG1-CB 3.78Å
311	V	95.1	Very high	89.6	Confident	8 Å²	8	54.9 Å²	54.9	5%	0.048	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-45.7	174	-179.7	0	0	0	0	110	Y289 I298 L331 K346 N348 G349	Y289-V311 HydrophobicContact CD1-CG2 4.2Å; Y289-V311 HydrophobicContact CE1-CG2 4.21Å; I298-V311 HydrophobicContact CG2-CB 4.33Å; I298-V311 PolarHBondContact O-N 3.27Å; V311-L331 HydrophobicContact CG1-CD1 3.94Å; V311-K346 WeakPolarHBondContact CG1-O 3.42Å; V311-N348 CarbonylContact O-C 3.31Å; V311-G349 WeakPolarHBondContact O-CA 2.93Å; V311-G349 PolarHBondContact O-N 2.77Å
312	L	93.4	Very high	89.2	Confident	21 Å²	21	55.5 Å²	55.5	11%	0.11	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	136.3	176	-177.5	60.1	0	0	0	109	I297 I298 D314 I318 W333 C344 V352	I297-L312 WeakPolarHBondContact CA-O 3.3Å; I298-L312 HydrophobicContact CB-CB 4.47Å; I298-L312 PolarHBondContact N-O 2.92Å; I298-L312 PolarHBondContact O-N 3.25Å; L312-D314 HydrophobicContact CD1-CB 4.43Å; L312-I318 HydrophobicContact CB-CD1 3.86Å; L312-I318 HydrophobicContact CD2-CD1 3.67Å; L312-I318 HydrophobicContact CD2-CG1 3.74Å; L312-I318 HydrophobicContact CG-CD1 3.46Å; L312-I318 VanDerWaalsContact CG-CD1 3.46Å; L312-I318 HydrophobicContact CG-CG1 4.04Å; L312-W333 HydrophobicContact CD2-CH2 3.84Å; L312-W333 HydrophobicContact CD2-CZ2 4.29Å; L312-C344 HydrophobicContact CD2-CB 4.38Å; L312-V352 HydrophobicContact CD1-CG2 4.37Å; L312-V352 HydrophobicContact CD2-CG2 3.76Å
313	K	91.2	Very high	89	Confident	150 Å²	150	54 Å²	54	65%	0.652	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	100	172.4	-177.6	-179.9	-176.6	179.4	0	107.8	I297 V310	I297-K313 HydrophobicContact CB-CG 4.4Å; I297-K313 HydrophobicContact CG1-CB 4.27Å; V310-K313 HydrophobicContact CG1-CB 3.78Å
314	D	82.2	Confident	88.8	Confident	55 Å²	55	53.3 Å²	53.3	29%	0.294	27%	0.271	S	S	.	.			trans	-158.5	112	-179.6	171.6	20.9	0	0	0	108.3	L312 N316 S317 I318	L312-D314 HydrophobicContact CD1-CB 4.43Å; D314-N316 PolarHBondContact O-N 2.88Å; D314-N316 WeakPolarHBondContact OD1-CB 3.04Å; D314-N316 PolarHBondContact OD1-N 2.89Å; D314-S317 PolarHBondContact O-N 2.84Å; D314-S317 VanDerWaalsContact OD2-CB 3.24Å; D314-S317 WeakPolarHBondContact OD2-CB 3.29Å; D314-S317 PolarHBondContact OD2-N 2.86Å; D314-S317 PolarHBondContact OD2-OG 3.41Å; D314-I318 PolarHBondContact O-N 3.05Å
315	T	71.9	Confident	88.7	Confident	88 Å²	88	51.1 Å²	51.1	54%	0.54	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26	-178.6	59	0	0	0	0	112	D296	D296-T315 HydrophobicContact CB-CG2 4.02Å; D296-T315 WeakPolarHBondContact OD2-CB 3.35Å; D296-T315 WeakPolarHBondContact OD2-CG2 3.33Å
316	N	76.8	Confident	88.6	Confident	128 Å²	128	51.1 Å²	51.1	68%	0.684	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-16.7	176	-61.3	-51.6	0	0	0	113.2	D314 F338	D314-N316 PolarHBondContact O-N 2.88Å; D314-N316 WeakPolarHBondContact OD1-CB 3.04Å; D314-N316 PolarHBondContact OD1-N 2.89Å; N316-F338 VanDerWaalsContact O-CZ 3.3Å; N316-F338 WeakPolarHBondContact O-CZ 3.46Å
317	S	70.1	Confident	88.3	Confident	17 Å²	17	44 Å²	44	12%	0.119	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-22.7	-178	-70.9	0	0	0	0	113.8	D314	D314-S317 PolarHBondContact O-N 2.84Å; D314-S317 VanDerWaalsContact OD2-CB 3.24Å; D314-S317 WeakPolarHBondContact OD2-CB 3.29Å; D314-S317 PolarHBondContact OD2-N 2.86Å; D314-S317 PolarHBondContact OD2-OG 3.41Å
318	I	75.4	Confident	87.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.			trans	-134.3	56.5	-173.1	-40.3	163.8	0	0	0	112.5	I298 L312 D314 V321 W333	I298-I318 HydrophobicContact CD1-CD1 4.2Å; I298-I318 HydrophobicContact CD1-CG2 4.49Å; I298-I318 HydrophobicContact CG1-CD1 3.94Å; I298-I318 HydrophobicContact CG1-CG2 4.35Å; L312-I318 HydrophobicContact CB-CD1 3.86Å; L312-I318 HydrophobicContact CD2-CD1 3.67Å; L312-I318 HydrophobicContact CD2-CG1 3.74Å; L312-I318 HydrophobicContact CG-CD1 3.46Å; L312-I318 VanDerWaalsContact CG-CD1 3.46Å; L312-I318 HydrophobicContact CG-CG1 4.04Å; D314-I318 PolarHBondContact O-N 3.05Å; I318-V321 HydrophobicContact CG2-CG2 3.17Å; I318-W333 HydrophobicContact CG1-CZ2 4.36Å
319	P	78.2	Confident	87.6	Confident	34 Å²	34	45.6 Å²	45.6	22%	0.221	24%	0.236	C	C	.	.	S	Bend	trans	-74.6	-28.8	-173.5	30.8	-38.5	0	0	0	115.2	D335 T337 F338	P319-D335 VanDerWaalsContact CD-OD2 3.3Å; P319-D335 WeakPolarHBondContact CD-OD2 3.31Å; P319-D335 WeakPolarHBondContact CG-OD2 3.44Å; P319-T337 HydrophobicContact CB-CG2 4.32Å; P319-T337 VanDerWaalsContact CG-CB 3.5Å; P319-T337 HydrophobicContact CG-CG2 3.93Å; P319-F338 HydrophobicContact CG-CD2 4.15Å; P319-F338 HydrophobicContact CG-CE2 3.93Å
320	H	88.1	Confident	87.5	Confident	46 Å²	46	43.2 Å²	43.2	21%	0.213	23%	0.229	C	C	.	.	S	Bend	trans	-161.1	82.8	177.1	-161.7	-65.9	0	0	0	113.6	D335 W336	H320-D335 PolarHBondContact N-OD2 3.16Å; H320-D335 WeakPolarHBondContact O-CA 3.36Å; H320-W336 HydrophobicContact CB-CB 4.24Å; H320-W336 AromaticContact CE1-CD2 3.8Å; H320-W336 AromaticContact CE1-CE3 3.22Å; H320-W336 AromaticContact CE1-CZ3 3.37Å; H320-W336 WeakPolarHBondContact CE1-CZ3 3.43Å; H320-W336 AromaticContact ND1-CD2 3.59Å; H320-W336 AromaticContact ND1-CE3 3.4Å; H320-W336 AromaticContact ND1-CG 3.92Å; H320-W336 AromaticContact NE2-CE3 3.8Å; H320-W336 AromaticContact NE2-CZ3 3.88Å; H320-W336 PolarHBondContact O-N 2.99Å
321	V	92.5	Very high	87.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.7	178.4	-175	0	0	0	0	112.1	N277 A291 I318 W333 T334	N277-V321 WeakPolarHBondContact CB-O 3.37Å; N277-V321 PolarHBondContact ND2-O 3Å; A291-V321 HydrophobicContact CB-CB 3.74Å; A291-V321 HydrophobicContact CB-CG1 3.47Å; A291-V321 VanDerWaalsContact CB-CG1 3.47Å; A291-V321 HydrophobicContact CB-CG2 3.93Å; I318-V321 HydrophobicContact CG2-CG2 3.17Å; V321-W333 HydrophobicContact CG1-CB 3.92Å; V321-W333 HydrophobicContact CG1-CG 4.38Å; V321-W333 HydrophobicContact CG2-CG 4.23Å; V321-T334 WeakPolarHBondContact CA-O 3.43Å
322	F	90.7	Very high	87.4	Confident	12 Å²	12	40.8 Å²	40.8	5%	0.053	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-69.6	166.1	-162.6	-83.7	0	0	0	112.6	N277 G278 T334 W336 Y363	N277-F322 CarbonylContact C-O 3.6Å; G278-F322 WeakPolarHBondContact CA-O 3.5Å; G278-F322 PolarHBondContact N-O 2.91Å; F322-T334 PolarHBondContact N-O 2.87Å; F322-W336 AromaticContact CD2-CE2 3.87Å; F322-W336 HydrophobicContact CD2-CH2 4.08Å; F322-W336 AromaticContact CD2-CZ2 3.31Å; F322-W336 HydrophobicContact CD2-CZ2 3.31Å; F322-W336 HydrophobicContact CE2-CH2 4.34Å; F322-W336 AromaticContact CE2-CZ2 3.79Å; F322-W336 HydrophobicContact CE2-CZ2 3.79Å; F322-W336 HydrophobicContact CG-CZ2 4.16Å; F322-Y363 HydrophobicContact CD1-CD1 4.32Å; F322-Y363 HydrophobicContact CD2-CD1 4.15Å; F322-Y363 AromaticContact CE1-CD1 3.95Å; F322-Y363 HydrophobicContact CE1-CD1 3.95Å; F322-Y363 HydrophobicContact CE1-CG 4.43Å; F322-Y363 AromaticContact CE2-CD1 3.76Å; F322-Y363 HydrophobicContact CE2-CD1 3.76Å; F322-Y363 HydrophobicContact CE2-CE1 4.23Å; F322-Y363 HydrophobicContact CG-CD1 4.41Å; F322-Y363 AromaticContact CZ-CD1 3.65Å; F322-Y363 HydrophobicContact CZ-CD1 3.65Å; F322-Y363 HydrophobicContact CZ-CE1 4.44Å
323	G	92.2	Very high	87.5	Confident	2 Å²	2	39.8 Å²	39.8	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	149.5	-178.9	0	0	0	0	0	112.3	W333 T334	G323-W333 CarbonylContact O-C 3.51Å; G323-W333 WeakPolarHBondContact O-CA 3.23Å; G323-W333 WeakPolarHBondContact O-CB 3.48Å; G323-T334 WeakPolarHBondContact CA-OG1 3.47Å; G323-T334 PolarHBondContact N-OG1 3.34Å; G323-T334 PolarHBondContact O-N 3.36Å; G323-T334 PolarHBondContact O-OG1 3.12Å
324	L	94.2	Very high	87.5	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	138.9	-178.4	-174.6	68.5	0	0	0	109.9	T280 Y289 A291 L331 Y332 W333	T280-L324 WeakPolarHBondContact CB-O 3.34Å; T280-L324 HydrophobicContact CG2-CD2 3.94Å; T280-L324 HydrophobicContact CG2-CG 3.79Å; Y289-L324 WeakPolarHBondContact O-CD2 3.17Å; A291-L324 HydrophobicContact CB-CD2 4.41Å; L324-L331 HydrophobicContact CD1-CB 4.5Å; L324-Y332 CarbonylContact C-O 3.6Å; L324-Y332 WeakPolarHBondContact CA-O 3.44Å; L324-W333 HydrophobicContact CD1-CB 3.88Å
325	A	94.8	Very high	88	Confident	7 Å²	7	30.2 Å²	30.2	6%	0.058	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	145.2	176	0	0	0	0	0	110.9	Y332 L365	A325-Y332 PolarHBondContact N-O 3.32Å; A325-Y332 PolarHBondContact O-N 3.17Å; A325-L365 HydrophobicContact CB-CD2 4.13Å; A325-L365 HydrophobicContact CB-CG 4.1Å
326	V	94.1	Very high	88.8	Confident	16 Å²	16	29 Å²	29	10%	0.097	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.4	174.3	60.2	0	0	0	0	110	T280 V281 D282 Y289 L331 K346 L367	T280-V326 HydrophobicContact CG2-CB 4.07Å; T280-V326 HydrophobicContact CG2-CG1 4.1Å; V281-V326 WeakPolarHBondContact O-CG1 3.49Å; D282-V326 HydrophobicContact CB-CG1 4.09Å; D282-V326 HydrophobicContact CB-CG2 4.47Å; Y289-V326 HydrophobicContact CE2-CG2 4.47Å; V326-L331 HydrophobicContact CB-CD2 3.8Å; V326-L331 HydrophobicContact CG2-CD2 3.91Å; V326-K346 HydrophobicContact CG2-CD 3.83Å; V326-L367 VanDerWaalsContact O-CD2 3.24Å; V326-L367 WeakPolarHBondContact O-CD2 3.38Å
327	A	90.4	Very high	89.4	Confident	5 Å²	5	27.5 Å²	27.5	4%	0.041	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	128.7	172.6	0	0	0	0	0	110.5	E329 H330 Y332 L367	A327-E329 PolarHBondContact O-N 2.95Å; A327-E329 VanDerWaalsContact O-N 3.14Å; A327-H330 PolarHBondContact N-O 2.85Å; A327-H330 PolarHBondContact O-N 3.05Å; A327-H330 VanDerWaalsContact O-O 3.12Å; A327-Y332 HydrophobicContact CB-CD2 4.23Å; A327-Y332 HydrophobicContact CB-CE2 3.78Å; A327-L367 HydrophobicContact CB-CD1 3.96Å; A327-L367 HydrophobicContact CB-CD2 3.66Å; A327-L367 HydrophobicContact CB-CG 4.4Å
328	D	86.7	Confident	90.3	Very high	79 Å²	79	30.2 Å²	30.2	42%	0.422	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	-115.3	-175.9	-57.6	-15.2	0	0	0	112	Y28 K346	Y28-D328 WeakPolarHBondContact CE1-OD2 3.37Å; Y28-D328 VanDerWaalsContact CZ-OD2 3.26Å; Y28-D328 PolarHBondContact OH-OD2 2.77Å; D328-K346 WeakPolarHBondContact O-CD 3.22Å; D328-K346 WeakPolarHBondContact O-CE 3.4Å; D328-K346 PolarHBondContact O-NZ 2.76Å
329	E	89.8	Confident	91	Very high	123 Å²	123	36.4 Å²	36.4	58%	0.575	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	3.4	-179.9	-59.7	-176.2	170.1	0	0	114.4	A327 K346	A327-E329 PolarHBondContact O-N 2.95Å; A327-E329 VanDerWaalsContact O-N 3.14Å; E329-K346 WeakPolarHBondContact O-CG 3.33Å; E329-K346 PolarHBondContact O-N 2.86Å
330	H	93.8	Very high	91.5	Very high	37 Å²	37	34.8 Å²	34.8	17%	0.171	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	148.1	-165.6	-61.8	88.9	0	0	0	113.3	A327 Y332 R343 C344	A327-H330 PolarHBondContact N-O 2.85Å; A327-H330 PolarHBondContact O-N 3.05Å; A327-H330 VanDerWaalsContact O-O 3.12Å; H330-Y332 HydrophobicContact CB-CD2 4.27Å; H330-Y332 HydrophobicContact CB-CE2 3.58Å; H330-R343 HydrophobicContact CB-CG 3.8Å; H330-C344 CarbonylContact C-O 3.52Å; H330-C344 WeakPolarHBondContact CA-O 3.24Å; H330-C344 WeakPolarHBondContact CB-O 3.5Å
331	L	95.1	Very high	91.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	142.9	161.6	-63.1	175.2	0	0	0	108.8	Y289 I298 V311 L324 V326 R343 C344 K346	Y289-L331 HydrophobicContact CD1-CD1 3.63Å; Y289-L331 HydrophobicContact CD1-CD2 3.75Å; Y289-L331 HydrophobicContact CD1-CG 4.24Å; Y289-L331 HydrophobicContact CD2-CD2 4.26Å; Y289-L331 HydrophobicContact CE1-CD1 4.13Å; Y289-L331 HydrophobicContact CE1-CD2 4.14Å; Y289-L331 HydrophobicContact CG-CD1 4.36Å; Y289-L331 HydrophobicContact CG-CD2 3.82Å; I298-L331 HydrophobicContact CG2-CD1 3.72Å; V311-L331 HydrophobicContact CG1-CD1 3.94Å; L324-L331 HydrophobicContact CD1-CB 4.5Å; V326-L331 HydrophobicContact CB-CD2 3.8Å; V326-L331 HydrophobicContact CG2-CD2 3.91Å; L331-R343 CarbonylContact O-C 3.59Å; L331-R343 WeakPolarHBondContact O-CA 3.48Å; L331-R343 VanDerWaalsContact O-CG 3.3Å; L331-R343 WeakPolarHBondContact O-CG 3.16Å; L331-C344 PolarHBondContact N-O 2.78Å; L331-C344 PolarHBondContact O-N 3.04Å; L331-K346 HydrophobicContact CD1-CB 4.34Å; L331-K346 HydrophobicContact CD2-CB 4.09Å; L331-K346 HydrophobicContact CG-CB 3.69Å
332	Y	94.5	Very high	91.6	Very high	34 Å²	34	33.6 Å²	33.6	13%	0.133	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.1	176	-63.8	-103.3	0	0	0	108.2	L324 A325 A327 H330 I341 M342 R343 V355	L324-Y332 CarbonylContact C-O 3.6Å; L324-Y332 WeakPolarHBondContact CA-O 3.44Å; A325-Y332 PolarHBondContact N-O 3.32Å; A325-Y332 PolarHBondContact O-N 3.17Å; A327-Y332 HydrophobicContact CB-CD2 4.23Å; A327-Y332 HydrophobicContact CB-CE2 3.78Å; H330-Y332 HydrophobicContact CB-CD2 4.27Å; H330-Y332 HydrophobicContact CB-CE2 3.58Å; Y332-I341 HydrophobicContact CD1-CG2 4.41Å; Y332-M342 VanDerWaalsContact CA-O 3.28Å; Y332-M342 WeakPolarHBondContact CA-O 3.3Å; Y332-R343 HydrophobicContact CD1-CB 3.83Å; Y332-R343 HydrophobicContact CD1-CG 3.85Å; Y332-R343 HydrophobicContact CD2-CG 4.34Å; Y332-R343 HydrophobicContact CE1-CB 3.97Å; Y332-R343 VanDerWaalsContact CE1-CD 3.43Å; Y332-R343 HydrophobicContact CE1-CG 3.65Å; Y332-R343 HydrophobicContact CE2-CG 4.12Å; Y332-R343 HydrophobicContact CG-CB 4.37Å; Y332-R343 HydrophobicContact CG-CG 4.2Å; Y332-R343 VanDerWaalsContact CZ-CD 3.42Å; Y332-R343 WeakPolarHBondContact OH-CD 3.42Å; Y332-V355 HydrophobicContact CD1-CG2 4.26Å; Y332-V355 HydrophobicContact CE1-CG2 4.18Å
333	W	94.2	Very high	91.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155.6	177.2	66	96	0	0	0	112	I298 L312 I318 V321 G323 L324 I341 M342 C344 V352	I298-W333 HydrophobicContact CD1-CD2 3.98Å; I298-W333 HydrophobicContact CD1-CE3 3.84Å; I298-W333 HydrophobicContact CD1-CH2 4.38Å; I298-W333 HydrophobicContact CD1-CZ3 4.05Å; L312-W333 HydrophobicContact CD2-CH2 3.84Å; L312-W333 HydrophobicContact CD2-CZ2 4.29Å; I318-W333 HydrophobicContact CG1-CZ2 4.36Å; V321-W333 HydrophobicContact CG1-CB 3.92Å; V321-W333 HydrophobicContact CG1-CG 4.38Å; V321-W333 HydrophobicContact CG2-CG 4.23Å; G323-W333 CarbonylContact O-C 3.51Å; G323-W333 WeakPolarHBondContact O-CA 3.23Å; G323-W333 WeakPolarHBondContact O-CB 3.48Å; L324-W333 HydrophobicContact CD1-CB 3.88Å; W333-I341 CarbonylContact O-C 3.58Å; W333-I341 VanDerWaalsContact O-CA 3.3Å; W333-I341 WeakPolarHBondContact O-CA 3.25Å; W333-M342 HydrophobicContact CD2-CB 3.76Å; W333-M342 HydrophobicContact CE3-CB 4.33Å; W333-M342 HydrophobicContact CG-CB 4.21Å; W333-M342 HydrophobicContact CH2-CB 4.15Å; W333-M342 HydrophobicContact CZ2-CB 3.55Å; W333-M342 HydrophobicContact CZ2-CG 4.36Å; W333-M342 PolarHBondContact N-O 3.09Å; W333-M342 PolarHBondContact O-N 2.96Å; W333-C344 HydrophobicContact CH2-CB 3.89Å; W333-C344 HydrophobicContact CZ3-CB 3.84Å; W333-V352 HydrophobicContact CH2-CG1 4.22Å; W333-V352 HydrophobicContact CZ2-CG1 4.32Å
334	T	92.6	Very high	91.8	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	134.5	170.7	45.4	0	0	0	0	109.7	V321 F322 G323 G340 I341 P362 Y363 L365	V321-T334 WeakPolarHBondContact CA-O 3.43Å; F322-T334 PolarHBondContact N-O 2.87Å; G323-T334 WeakPolarHBondContact CA-OG1 3.47Å; G323-T334 PolarHBondContact N-OG1 3.34Å; G323-T334 PolarHBondContact O-N 3.36Å; G323-T334 PolarHBondContact O-OG1 3.12Å; T334-G340 WeakPolarHBondContact CA-O 3.35Å; T334-I341 HydrophobicContact CG2-CG1 3.92Å; T334-P362 HydrophobicContact CG2-CB 3.67Å; T334-P362 HydrophobicContact CG2-CG 4.2Å; T334-Y363 WeakPolarHBondContact CB-O 3.28Å; T334-Y363 PolarHBondContact OG1-O 3.02Å; T334-L365 HydrophobicContact CG2-CB 3.91Å; T334-L365 HydrophobicContact CG2-CD1 4.4Å; T334-L365 HydrophobicContact CG2-CD2 4.3Å; T334-L365 HydrophobicContact CG2-CG 4.43Å
335	D	91.2	Very high	91.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.5	-178.5	-173.5	-83.1	0	0	0	111	P319 H320 T337 F338 R339 G340 M342 P362	P319-D335 VanDerWaalsContact CD-OD2 3.3Å; P319-D335 WeakPolarHBondContact CD-OD2 3.31Å; P319-D335 WeakPolarHBondContact CG-OD2 3.44Å; H320-D335 PolarHBondContact N-OD2 3.16Å; H320-D335 WeakPolarHBondContact O-CA 3.36Å; D335-T337 WeakPolarHBondContact OD1-CA 3.32Å; D335-T337 WeakPolarHBondContact OD1-CB 3.41Å; D335-T337 PolarHBondContact OD1-N 2.89Å; D335-F338 HydrophobicContact CB-CB 4.35Å; D335-F338 HydrophobicContact CB-CD2 4.28Å; D335-F338 WeakPolarHBondContact OD1-CD2 3.33Å; D335-F338 PolarHBondContact OD1-N 3.14Å; D335-R339 WeakPolarHBondContact O-CA 3.47Å; D335-R339 PolarHBondContact O-N 2.83Å; D335-R339 VanDerWaalsContact O-N 3.14Å; D335-G340 PolarHBondContact N-O 3.17Å; D335-G340 PolarHBondContact O-N 3Å; D335-M342 HydrophobicContact CB-CG 4.25Å; D335-P362 WeakPolarHBondContact O-CG 3.48Å
336	W	89.9	Confident	91.8	Very high	64 Å²	64	38.5 Å²	38.5	24%	0.242	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-29.2	-176.2	-72.3	3.5	0	0	0	113.6	H320 F322 R339 L361 P362 Y363	H320-W336 HydrophobicContact CB-CB 4.24Å; H320-W336 AromaticContact CE1-CD2 3.8Å; H320-W336 AromaticContact CE1-CE3 3.22Å; H320-W336 AromaticContact CE1-CZ3 3.37Å; H320-W336 WeakPolarHBondContact CE1-CZ3 3.43Å; H320-W336 AromaticContact ND1-CD2 3.59Å; H320-W336 AromaticContact ND1-CE3 3.4Å; H320-W336 AromaticContact ND1-CG 3.92Å; H320-W336 AromaticContact NE2-CE3 3.8Å; H320-W336 AromaticContact NE2-CZ3 3.88Å; H320-W336 PolarHBondContact O-N 2.99Å; F322-W336 AromaticContact CD2-CE2 3.87Å; F322-W336 HydrophobicContact CD2-CH2 4.08Å; F322-W336 AromaticContact CD2-CZ2 3.31Å; F322-W336 HydrophobicContact CD2-CZ2 3.31Å; F322-W336 HydrophobicContact CE2-CH2 4.34Å; F322-W336 AromaticContact CE2-CZ2 3.79Å; F322-W336 HydrophobicContact CE2-CZ2 3.79Å; F322-W336 HydrophobicContact CG-CZ2 4.16Å; W336-R339 VanDerWaalsContact O-CG 3.28Å; W336-R339 WeakPolarHBondContact O-CG 3.26Å; W336-L361 HydrophobicContact CB-CD2 3.96Å; W336-L361 HydrophobicContact CD2-CD1 4.37Å; W336-L361 HydrophobicContact CG-CB 4.45Å; W336-L361 HydrophobicContact CG-CD2 4.2Å; W336-L361 WeakPolarHBondContact O-CD2 3.44Å; W336-P362 VanDerWaalsContact CD1-O 3.23Å; W336-P362 PolarHBondContact NE1-O 3.1Å; W336-Y363 HydrophobicContact CH2-CE1 4.26Å; W336-Y363 AromaticContact CZ2-CD1 3.97Å; W336-Y363 HydrophobicContact CZ2-CD1 3.97Å; W336-Y363 AromaticContact CZ2-CE1 3.56Å; W336-Y363 HydrophobicContact CZ2-CE1 3.56Å; W336-Y363 AromaticContact CZ2-CZ 3.93Å
337	T	89.6	Confident	91.6	Very high	95 Å²	95	42.5 Å²	42.5	58%	0.583	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-47.5	-178.7	-54.9	0	0	0	0	110.5	P319 D335 R339	P319-T337 HydrophobicContact CB-CG2 4.32Å; P319-T337 VanDerWaalsContact CG-CB 3.5Å; P319-T337 HydrophobicContact CG-CG2 3.93Å; D335-T337 WeakPolarHBondContact OD1-CA 3.32Å; D335-T337 WeakPolarHBondContact OD1-CB 3.41Å; D335-T337 PolarHBondContact OD1-N 2.89Å; T337-R339 PolarHBondContact O-N 2.87Å
338	F	88.9	Confident	91.7	Very high	74 Å²	74	46.3 Å²	46.3	33%	0.325	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.4	172.7	-70.9	-64.7	0	0	0	113.4	N316 P319 D335 M342	N316-F338 VanDerWaalsContact O-CZ 3.3Å; N316-F338 WeakPolarHBondContact O-CZ 3.46Å; P319-F338 HydrophobicContact CG-CD2 4.15Å; P319-F338 HydrophobicContact CG-CE2 3.93Å; D335-F338 HydrophobicContact CB-CB 4.35Å; D335-F338 HydrophobicContact CB-CD2 4.28Å; D335-F338 WeakPolarHBondContact OD1-CD2 3.33Å; D335-F338 PolarHBondContact OD1-N 3.14Å; F338-M342 HydrophobicContact CB-SD 4.2Å; F338-M342 HydrophobicContact CD2-CE 3.91Å; F338-M342 HydrophobicContact CD2-CG 4.27Å; F338-M342 HydrophobicContact CD2-SD 4.12Å; F338-M342 HydrophobicContact CE2-CE 3.97Å; F338-M342 HydrophobicContact CG-CE 4.25Å; F338-M342 HydrophobicContact CG-SD 4.1Å; F338-M342 HydrophobicContact CZ-CE 4.37Å
339	R	89.2	Confident	91.9	Very high	130 Å²	130	42.7 Å²	42.7	49%	0.491	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	61.1	-173.6	-60.6	-173.9	175.8	-167	1.6	110.9	D335 W336 T337 Q357 T358 L361	D335-R339 WeakPolarHBondContact O-CA 3.47Å; D335-R339 PolarHBondContact O-N 2.83Å; D335-R339 VanDerWaalsContact O-N 3.14Å; W336-R339 VanDerWaalsContact O-CG 3.28Å; W336-R339 WeakPolarHBondContact O-CG 3.26Å; T337-R339 PolarHBondContact O-N 2.87Å; R339-Q357 WeakPolarHBondContact O-CG 3.45Å; R339-T358 WeakPolarHBondContact CB-O 3.34Å; R339-T358 PolarHBondContact O-N 3.36Å; R339-T358 PolarHBondContact O-OG1 2.94Å; R339-T358 VanDerWaalsContact O-OG1 3.12Å; R339-L361 HydrophobicContact CG-CD2 4.34Å
340	G	88.7	Confident	91.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	-174.3	-174.6	0	0	0	0	0	114.9	T334 D335 A356	T334-G340 WeakPolarHBondContact CA-O 3.35Å; D335-G340 PolarHBondContact N-O 3.17Å; D335-G340 PolarHBondContact O-N 3Å; G340-A356 CarbonylContact C-O 3.47Å; G340-A356 WeakPolarHBondContact CA-O 3.36Å
341	I	91.4	Very high	91.8	Very high	12 Å²	12	49.5 Å²	49.5	6%	0.062	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118	173.3	-62.6	167.6	0	0	0	107.6	L26 Y332 W333 T334 V355 A356 L365	L26-I341 HydrophobicContact CD1-CD1 3.6Å; L26-I341 HydrophobicContact CG-CD1 4.41Å; Y332-I341 HydrophobicContact CD1-CG2 4.41Å; W333-I341 CarbonylContact O-C 3.58Å; W333-I341 VanDerWaalsContact O-CA 3.3Å; W333-I341 WeakPolarHBondContact O-CA 3.25Å; T334-I341 HydrophobicContact CG2-CG1 3.92Å; I341-V355 HydrophobicContact CG2-CB 4.4Å; I341-V355 WeakPolarHBondContact O-CB 3.12Å; I341-V355 PolarHBondContact O-N 2.97Å; I341-A356 PolarHBondContact N-O 3.4Å; I341-A356 PolarHBondContact O-N 3.26Å; I341-L365 HydrophobicContact CD1-CD1 4Å; I341-L365 HydrophobicContact CG1-CD1 4.48Å; I341-L365 HydrophobicContact CG2-CD2 4.24Å
342	M	92.2	Very high	91.6	Very high	10 Å²	10	51.7 Å²	51.7	5%	0.049	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	162.7	176.5	-61.1	-62.8	-80.8	0	0	109.9	Y332 W333 D335 F338 V352 T353 L354	Y332-M342 VanDerWaalsContact CA-O 3.28Å; Y332-M342 WeakPolarHBondContact CA-O 3.3Å; W333-M342 HydrophobicContact CD2-CB 3.76Å; W333-M342 HydrophobicContact CE3-CB 4.33Å; W333-M342 HydrophobicContact CG-CB 4.21Å; W333-M342 HydrophobicContact CH2-CB 4.15Å; W333-M342 HydrophobicContact CZ2-CB 3.55Å; W333-M342 HydrophobicContact CZ2-CG 4.36Å; W333-M342 PolarHBondContact N-O 3.09Å; W333-M342 PolarHBondContact O-N 2.96Å; D335-M342 HydrophobicContact CB-CG 4.25Å; F338-M342 HydrophobicContact CB-SD 4.2Å; F338-M342 HydrophobicContact CD2-CE 3.91Å; F338-M342 HydrophobicContact CD2-CG 4.27Å; F338-M342 HydrophobicContact CD2-SD 4.12Å; F338-M342 HydrophobicContact CE2-CE 3.97Å; F338-M342 HydrophobicContact CG-CE 4.25Å; F338-M342 HydrophobicContact CG-SD 4.1Å; F338-M342 HydrophobicContact CZ-CE 4.37Å; M342-V352 HydrophobicContact CE-CG1 3.83Å; M342-T353 CarbonylContact C-O 3.31Å; M342-L354 HydrophobicContact SD-CB 3.87Å; M342-L354 HydrophobicContact SD-CD1 3.64Å; M342-L354 HydrophobicContact SD-CG 4.36Å
343	R	93.4	Very high	91.5	Very high	70 Å²	70	52.5 Å²	52.5	26%	0.264	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	142.1	177.4	179.4	-160.7	63.2	173.3	-10.8	111.7	H330 L331 Y332 V352 T353 V355	H330-R343 HydrophobicContact CB-CG 3.8Å; L331-R343 CarbonylContact O-C 3.59Å; L331-R343 WeakPolarHBondContact O-CA 3.48Å; L331-R343 VanDerWaalsContact O-CG 3.3Å; L331-R343 WeakPolarHBondContact O-CG 3.16Å; Y332-R343 HydrophobicContact CD1-CB 3.83Å; Y332-R343 HydrophobicContact CD1-CG 3.85Å; Y332-R343 HydrophobicContact CD2-CG 4.34Å; Y332-R343 HydrophobicContact CE1-CB 3.97Å; Y332-R343 VanDerWaalsContact CE1-CD 3.43Å; Y332-R343 HydrophobicContact CE1-CG 3.65Å; Y332-R343 HydrophobicContact CE2-CG 4.12Å; Y332-R343 HydrophobicContact CG-CB 4.37Å; Y332-R343 HydrophobicContact CG-CG 4.2Å; Y332-R343 VanDerWaalsContact CZ-CD 3.42Å; Y332-R343 WeakPolarHBondContact OH-CD 3.42Å; R343-V352 CarbonylContact O-C 3.57Å; R343-V352 VanDerWaalsContact O-CA 3.27Å; R343-V352 WeakPolarHBondContact O-CA 3.48Å; R343-T353 PolarHBondContact N-O 2.73Å; R343-T353 PolarHBondContact NE-OG1 2.65Å; R343-T353 PolarHBondContact NH2-OG1 2.64Å; R343-T353 PolarHBondContact O-N 3.17Å; R343-V355 HydrophobicContact CB-CG2 3.47Å; R343-V355 VanDerWaalsContact CB-CG2 3.47Å; R343-V355 HydrophobicContact CG-CG2 4.46Å
344	C	94.2	Very high	91.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	173.4	167.5	76.4	0	0	0	0	111.4	L312 H330 L331 W333 G349 V352	L312-C344 HydrophobicContact CD2-CB 4.38Å; H330-C344 CarbonylContact C-O 3.52Å; H330-C344 WeakPolarHBondContact CA-O 3.24Å; H330-C344 WeakPolarHBondContact CB-O 3.5Å; L331-C344 PolarHBondContact N-O 2.78Å; L331-C344 PolarHBondContact O-N 3.04Å; W333-C344 HydrophobicContact CH2-CB 3.89Å; W333-C344 HydrophobicContact CZ3-CB 3.84Å; C344-G349 WeakPolarHBondContact CB-O 3.4Å; C344-V352 HydrophobicContact CB-CG2 4.08Å
345	N	94.5	Very high	91.2	Very high	22 Å²	22	59.6 Å²	59.6	12%	0.118	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	134.4	168	179.6	-78.2	0	0	0	111.2	L347 N348 G349 R350	N345-L347 VanDerWaalsContact C-N 3.3Å; N345-L347 PolarHBondContact O-N 3Å; N345-L347 WeakPolarHBondContact OD1-CA 3.27Å; N345-L347 WeakPolarHBondContact OD1-CB 3.35Å; N345-L347 PolarHBondContact OD1-N 2.89Å; N345-N348 WeakPolarHBondContact CB-OD1 3.06Å; N345-N348 PolarHBondContact OD1-N 3.08Å; N345-N348 PolarHBondContact OD1-OD1 3.23Å; N345-G349 WeakPolarHBondContact O-CA 3.46Å; N345-G349 PolarHBondContact O-N 2.8Å; N345-R350 PolarHBondContact N-O 2.68Å
346	K	93.6	Very high	91.1	Very high	35 Å²	35	60.8 Å²	60.8	15%	0.152	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.7	-173.8	81.5	-177.3	-174.5	-175.7	0	115.3	D282 Y289 R309 V311 V326 D328 E329 L331	D282-K346 IonicContact OD2-NZ 3.45Å; D282-K346 PolarHBondContact OD2-NZ 2.92Å; Y289-K346 HydrophobicContact CE1-CB 4.25Å; R309-K346 PolarHBondContact NH2-O 2.71Å; V311-K346 WeakPolarHBondContact CG1-O 3.42Å; V326-K346 HydrophobicContact CG2-CD 3.83Å; D328-K346 WeakPolarHBondContact O-CD 3.22Å; D328-K346 WeakPolarHBondContact O-CE 3.4Å; D328-K346 PolarHBondContact O-NZ 2.76Å; E329-K346 WeakPolarHBondContact O-CG 3.33Å; E329-K346 PolarHBondContact O-N 2.86Å; L331-K346 HydrophobicContact CD1-CB 4.34Å; L331-K346 HydrophobicContact CD2-CB 4.09Å; L331-K346 HydrophobicContact CG-CB 3.69Å
347	L	90.9	Very high	90.9	Very high	100 Å²	100	64.3 Å²	64.3	52%	0.524	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-33	-176.6	-57.2	179.5	0	0	0	112.8	N345	N345-L347 VanDerWaalsContact C-N 3.3Å; N345-L347 PolarHBondContact O-N 3Å; N345-L347 WeakPolarHBondContact OD1-CA 3.27Å; N345-L347 WeakPolarHBondContact OD1-CB 3.35Å; N345-L347 PolarHBondContact OD1-N 2.89Å
348	N	90.6	Very high	90.6	Very high	84 Å²	84	61 Å²	61	45%	0.449	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.8	4.1	-170.8	66.6	23.5	0	0	0	115.4	V311 N345 R350	V311-N348 CarbonylContact O-C 3.31Å; N345-N348 WeakPolarHBondContact CB-OD1 3.06Å; N345-N348 PolarHBondContact OD1-N 3.08Å; N345-N348 PolarHBondContact OD1-OD1 3.23Å; N348-R350 PolarHBondContact O-N 3.17Å; N348-R350 VanDerWaalsContact OD1-CB 3.28Å; N348-R350 WeakPolarHBondContact OD1-CB 3.27Å; N348-R350 WeakPolarHBondContact OD1-CG 3.46Å; N348-R350 PolarHBondContact OD1-N 2.87Å
349	G	90.8	Very high	90.2	Very high	3 Å²	3	61.6 Å²	61.6	3%	0.031	32%	0.317	C	S	.	.			trans	70.5	-3.5	177.9	0	0	0	0	0	115.9	V311 C344 N345	V311-G349 WeakPolarHBondContact O-CA 2.93Å; V311-G349 PolarHBondContact O-N 2.77Å; C344-G349 WeakPolarHBondContact CB-O 3.4Å; N345-G349 WeakPolarHBondContact O-CA 3.46Å; N345-G349 PolarHBondContact O-N 2.8Å
350	R	91.5	Very high	89.8	Confident	178 Å²	178	57.4 Å²	57.4	67%	0.672	30%	0.304	S	S	*	.			trans	-73.1	169.2	-175.6	-62.8	-176.6	176.2	-175.4	-1.8	112.3	N345 N348	N345-R350 PolarHBondContact N-O 2.68Å; N348-R350 PolarHBondContact O-N 3.17Å; N348-R350 VanDerWaalsContact OD1-CB 3.28Å; N348-R350 WeakPolarHBondContact OD1-CB 3.27Å; N348-R350 WeakPolarHBondContact OD1-CG 3.46Å; N348-R350 PolarHBondContact OD1-N 2.87Å
351	N	90.2	Very high	89.7	Confident	126 Å²	126	60.2 Å²	60.2	67%	0.674	32%	0.319	S	S	*	.			trans	57.7	49.1	178.6	-57.3	-11.5	0	0	0	112.3	T353	N351-T353 PolarHBondContact O-N 3.16Å
352	V	92.8	Very high	89.4	Confident	46 Å²	46	60.2 Å²	60.2	28%	0.279	32%	0.319	S	S	.	.			trans	-61.4	121.2	170.4	-177.2	0	0	0	0	108.8	L312 W333 M342 R343 C344	L312-V352 HydrophobicContact CD1-CG2 4.37Å; L312-V352 HydrophobicContact CD2-CG2 3.76Å; W333-V352 HydrophobicContact CH2-CG1 4.22Å; W333-V352 HydrophobicContact CZ2-CG1 4.32Å; M342-V352 HydrophobicContact CE-CG1 3.83Å; R343-V352 CarbonylContact O-C 3.57Å; R343-V352 VanDerWaalsContact O-CA 3.27Å; R343-V352 WeakPolarHBondContact O-CA 3.48Å; C344-V352 HydrophobicContact CB-CG2 4.08Å
353	T	92.3	Very high	89.2	Confident	51 Å²	51	62.4 Å²	62.4	31%	0.313	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	136.7	-177.8	55.6	0	0	0	0	111.4	M342 R343 N351 V355	M342-T353 CarbonylContact C-O 3.31Å; R343-T353 PolarHBondContact N-O 2.73Å; R343-T353 PolarHBondContact NE-OG1 2.65Å; R343-T353 PolarHBondContact NH2-OG1 2.64Å; R343-T353 PolarHBondContact O-N 3.17Å; N351-T353 PolarHBondContact O-N 3.16Å; T353-V355 PolarHBondContact O-N 2.95Å
354	L	90.7	Very high	88.9	Confident	85 Å²	85	60.2 Å²	60.2	45%	0.445	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	119.2	165.4	-179.2	66.1	0	0	0	109.5	M342 Q357	M342-L354 HydrophobicContact SD-CB 3.87Å; M342-L354 HydrophobicContact SD-CD1 3.64Å; M342-L354 HydrophobicContact SD-CG 4.36Å; L354-Q357 HydrophobicContact CD2-CB 4.42Å
355	V	89.9	Confident	88.7	Confident	67 Å²	67	61.3 Å²	61.3	41%	0.406	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-40.2	-179.2	-179.4	0	0	0	0	111.3	Y332 I341 R343 T353	Y332-V355 HydrophobicContact CD1-CG2 4.26Å; Y332-V355 HydrophobicContact CE1-CG2 4.18Å; I341-V355 HydrophobicContact CG2-CB 4.4Å; I341-V355 WeakPolarHBondContact O-CB 3.12Å; I341-V355 PolarHBondContact O-N 2.97Å; R343-V355 HydrophobicContact CB-CG2 3.47Å; R343-V355 VanDerWaalsContact CB-CG2 3.47Å; R343-V355 HydrophobicContact CG-CG2 4.46Å; T353-V355 PolarHBondContact O-N 2.95Å
356	A	87.2	Confident	88.4	Confident	25 Å²	25	62.4 Å²	62.4	21%	0.207	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	137.8	179.5	0	0	0	0	0	110.5	G340 I341	G340-A356 CarbonylContact C-O 3.47Å; G340-A356 WeakPolarHBondContact CA-O 3.36Å; I341-A356 PolarHBondContact N-O 3.4Å; I341-A356 PolarHBondContact O-N 3.26Å
357	Q	87.5	Confident	88.1	Confident	137 Å²	137	62.3 Å²	62.3	64%	0.64	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	149.7	172.6	-154.8	172.6	17.4	0	0	110.9	R339 L354	R339-Q357 WeakPolarHBondContact O-CG 3.45Å; L354-Q357 HydrophobicContact CD2-CB 4.42Å
358	T	81.3	Confident	87.8	Confident	26 Å²	26	58 Å²	58	16%	0.16	31%	0.309	C	S	.	.			trans	-126.7	143.8	179.2	55.4	0	0	0	0	110.4	R339 L360	R339-T358 WeakPolarHBondContact CB-O 3.34Å; R339-T358 PolarHBondContact O-N 3.36Å; R339-T358 PolarHBondContact O-OG1 2.94Å; R339-T358 VanDerWaalsContact O-OG1 3.12Å; T358-L360 WeakPolarHBondContact CB-O 3.24Å; T358-L360 PolarHBondContact O-N 2.89Å; T358-L360 PolarHBondContact OG1-O 3.22Å
359	A	82.1	Confident	87.4	Confident	87 Å²	87	56.8 Å²	56.8	72%	0.719	30%	0.301	S	S	*	.	S	Bend	trans	-71.6	-24.1	175.5	0	0	0	0	0	112.5
360	L	80.8	Confident	86.9	Confident	42 Å²	42	58.1 Å²	58.1	22%	0.22	31%	0.312	C	S	.	.	S	Bend	trans	-116.8	162	-175.8	-68.4	154	0	0	0	109.9	P19 A20 I22 T358 P362	P19-L360 HydrophobicContact CB-CD2 3.87Å; P19-L360 HydrophobicContact CG-CD2 3.84Å; A20-L360 WeakPolarHBondContact O-CD1 3.31Å; I22-L360 HydrophobicContact CB-CD1 4.33Å; I22-L360 HydrophobicContact CD1-CD1 3.6Å; I22-L360 HydrophobicContact CG1-CD1 3.58Å; T358-L360 WeakPolarHBondContact CB-O 3.24Å; T358-L360 PolarHBondContact O-N 2.89Å; T358-L360 PolarHBondContact OG1-O 3.22Å; L360-P362 WeakPolarHBondContact O-CD 3.48Å
361	L	85	Confident	86.3	Confident	59 Å²	59	51.2 Å²	51.2	31%	0.309	29%	0.293	S	S	.	.			trans	-63.9	123.9	178.1	-62.5	-177.8	0	0	0	110	W336 R339 Y363	W336-L361 HydrophobicContact CB-CD2 3.96Å; W336-L361 HydrophobicContact CD2-CD1 4.37Å; W336-L361 HydrophobicContact CG-CB 4.45Å; W336-L361 HydrophobicContact CG-CD2 4.2Å; W336-L361 WeakPolarHBondContact O-CD2 3.44Å; R339-L361 HydrophobicContact CG-CD2 4.34Å; L361-Y363 HydrophobicContact CB-CE2 4.06Å; L361-Y363 WeakPolarHBondContact O-CD2 3.34Å
362	P	86.6	Confident	86	Confident	11 Å²	11	46.1 Å²	46.1	7%	0.071	27%	0.268	C	S	.	.			trans	-83.6	124.5	177.4	33.1	-32.5	0	0	0	110.2	T334 D335 W336 L360	T334-P362 HydrophobicContact CG2-CB 3.67Å; T334-P362 HydrophobicContact CG2-CG 4.2Å; D335-P362 WeakPolarHBondContact O-CG 3.48Å; W336-P362 VanDerWaalsContact CD1-O 3.23Å; W336-P362 PolarHBondContact NE1-O 3.1Å; L360-P362 WeakPolarHBondContact O-CD 3.48Å
363	Y	87.5	Confident	85.8	Confident	56 Å²	56	44.9 Å²	44.9	22%	0.22	26%	0.259	C	S	.	.			trans	-92	-117.1	177.4	-72.8	-103.9	0	0	0	109.9	N21 L149 F322 T334 W336 L361	N21-Y363 VanDerWaalsContact ND2-CD2 3.25Å; N21-Y363 WeakPolarHBondContact ND2-CD2 3.46Å; N21-Y363 WeakPolarHBondContact ND2-CE2 3.37Å; N21-Y363 VanDerWaalsContact OD1-CE2 3.26Å; N21-Y363 WeakPolarHBondContact OD1-CE2 3.41Å; L149-Y363 HydrophobicContact CD2-CD1 3.97Å; L149-Y363 HydrophobicContact CD2-CE1 3.95Å; F322-Y363 HydrophobicContact CD1-CD1 4.32Å; F322-Y363 HydrophobicContact CD2-CD1 4.15Å; F322-Y363 AromaticContact CE1-CD1 3.95Å; F322-Y363 HydrophobicContact CE1-CD1 3.95Å; F322-Y363 HydrophobicContact CE1-CG 4.43Å; F322-Y363 AromaticContact CE2-CD1 3.76Å; F322-Y363 HydrophobicContact CE2-CD1 3.76Å; F322-Y363 HydrophobicContact CE2-CE1 4.23Å; F322-Y363 HydrophobicContact CG-CD1 4.41Å; F322-Y363 AromaticContact CZ-CD1 3.65Å; F322-Y363 HydrophobicContact CZ-CD1 3.65Å; F322-Y363 HydrophobicContact CZ-CE1 4.44Å; T334-Y363 WeakPolarHBondContact CB-O 3.28Å; T334-Y363 PolarHBondContact OG1-O 3.02Å; W336-Y363 HydrophobicContact CH2-CE1 4.26Å; W336-Y363 AromaticContact CZ2-CD1 3.97Å; W336-Y363 HydrophobicContact CZ2-CD1 3.97Å; W336-Y363 AromaticContact CZ2-CE1 3.56Å; W336-Y363 HydrophobicContact CZ2-CE1 3.56Å; W336-Y363 AromaticContact CZ2-CZ 3.93Å; L361-Y363 HydrophobicContact CB-CE2 4.06Å; L361-Y363 WeakPolarHBondContact O-CD2 3.34Å
364	D	87.5	Confident	85.5	Confident	25 Å²	25	43.3 Å²	43.3	13%	0.134	25%	0.25	C	S	.	.			trans	-65.6	151.9	-174.5	-170.7	26.6	0	0	0	114	S151 K366	S151-D364 PolarHBondContact N-OD2 3.42Å; S151-D364 VanDerWaalsContact O-OD2 3.07Å; S151-D364 PolarHBondContact OG-OD2 2.84Å; D364-K366 IonicContact OD1-NZ 2.68Å; D364-K366 PolarHBondContact OD1-NZ 3.49Å; D364-K366 IonicContact OD2-NZ 3.14Å; D364-K366 PolarHBondContact OD2-NZ 3.11Å
365	L	88.8	Confident	84.8	Confident	22 Å²	22	45.5 Å²	45.5	12%	0.115	26%	0.258	C	S	.	.			trans	-137.8	130.7	178.3	-174.8	66.8	0	0	0	110.2	A325 T334 I341	A325-L365 HydrophobicContact CB-CD2 4.13Å; A325-L365 HydrophobicContact CB-CG 4.1Å; T334-L365 HydrophobicContact CG2-CB 3.91Å; T334-L365 HydrophobicContact CG2-CD1 4.4Å; T334-L365 HydrophobicContact CG2-CD2 4.3Å; T334-L365 HydrophobicContact CG2-CG 4.43Å; I341-L365 HydrophobicContact CD1-CD1 4Å; I341-L365 HydrophobicContact CG1-CD1 4.48Å; I341-L365 HydrophobicContact CG2-CD2 4.24Å
366	K	89	Confident	83.9	Confident	45 Å²	45	44.2 Å²	44.2	20%	0.196	25%	0.254	C	S	.	.			trans	-137.4	137.1	178.7	-63.4	-69.2	-176.5	-81.6	0	110.4	S151 D364 C368	S151-K366 VanDerWaalsContact O-CE 3.29Å; S151-K366 WeakPolarHBondContact O-CE 3.34Å; S151-K366 WeakPolarHBondContact O-CG 3.42Å; D364-K366 IonicContact OD1-NZ 2.68Å; D364-K366 PolarHBondContact OD1-NZ 3.49Å; D364-K366 IonicContact OD2-NZ 3.14Å; D364-K366 PolarHBondContact OD2-NZ 3.11Å; K366-C368 PolarHBondContact O-N 3.04Å
367	L	88.2	Confident	83.1	Confident	34 Å²	34	47.3 Å²	47.3	18%	0.178	27%	0.268	C	S	.	.			trans	-76.8	116.4	175.5	174.2	64	0	0	0	110.6	Y28 H153 V326 A327 H369 A372	Y28-L367 HydrophobicContact CG-CD1 4.4Å; H153-L367 PolarHBondContact CE1-O 3.18Å; H153-L367 PolarHBondContact NE2-O 3.22Å; V326-L367 VanDerWaalsContact O-CD2 3.24Å; V326-L367 WeakPolarHBondContact O-CD2 3.38Å; A327-L367 HydrophobicContact CB-CD1 3.96Å; A327-L367 HydrophobicContact CB-CD2 3.66Å; A327-L367 HydrophobicContact CB-CG 4.4Å; L367-H369 HydrophobicContact CD1-CB 4.09Å; L367-H369 HydrophobicContact CD2-CB 4.3Å; L367-H369 HydrophobicContact CG-CB 4.03Å; L367-H369 PolarHBondContact O-N 3.28Å; L367-A372 HydrophobicContact CB-CB 4.26Å; L367-A372 HydrophobicContact CD2-CB 3.95Å; L367-A372 HydrophobicContact CG-CB 4.06Å; L367-A372 WeakPolarHBondContact O-CB 3.33Å
368	C	84.1	Confident	82.2	Confident	9 Å²	9	43.9 Å²	43.9	6%	0.061	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-93.6	86.1	172.8	-176.1	0	0	0	0	110.8	L25 L27 K366	L25-C368 HydrophobicContact CD1-CB 3.93Å; L25-C368 HydrophobicContact CG-CB 4.33Å; L27-C368 HydrophobicContact CD2-CB 4.33Å; K366-C368 PolarHBondContact O-N 3.04Å
369	H	82.2	Confident	81.5	Confident	58 Å²	58	51.1 Å²	51.1	27%	0.269	28%	0.283	S	S	.	.	S	Bend	trans	-155.7	148.6	177	-172.3	-108.2	0	0	0	111.1	L155 L367 A371 A372	L155-H369 WeakPolarHBondContact CD1-O 3.2Å; L367-H369 HydrophobicContact CD1-CB 4.09Å; L367-H369 HydrophobicContact CD2-CB 4.3Å; L367-H369 HydrophobicContact CG-CB 4.03Å; L367-H369 PolarHBondContact O-N 3.28Å; H369-A371 VanDerWaalsContact ND1-CB 3.3Å; H369-A371 WeakPolarHBondContact ND1-CB 3.15Å; H369-A371 PolarHBondContact ND1-N 2.73Å; H369-A371 PolarHBondContact O-N 2.81Å; H369-A371 VanDerWaalsContact O-N 3.12Å; H369-A372 WeakPolarHBondContact O-CA 3.19Å; H369-A372 VanDerWaalsContact O-CB 3.26Å; H369-A372 WeakPolarHBondContact O-CB 3.4Å; H369-A372 PolarHBondContact O-N 3.04Å
370	A	79.5	Confident	81.6	Confident	32 Å²	32	48.1 Å²	48.1	26%	0.264	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-56.4	-32.2	-177.8	0	0	0	0	0	113.6	L155 A372 Q373	L155-A370 HydrophobicContact CD1-CB 4.49Å; A370-A372 PolarHBondContact O-N 3.18Å; A370-Q373 CarbonylContact O-C 3.57Å; A370-Q373 VanDerWaalsContact O-C 3.23Å; A370-Q373 PolarHBondContact O-N 3.36Å
371	A	79	Confident	82.1	Confident	32 Å²	32	46.3 Å²	46.3	26%	0.264	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-63.6	-22.6	173.8	0	0	0	0	0	114	Y284 H369 Q373	Y284-A371 HydrophobicContact CE2-CB 4.01Å; Y284-A371 WeakPolarHBondContact CE2-O 3.49Å; H369-A371 VanDerWaalsContact ND1-CB 3.3Å; H369-A371 WeakPolarHBondContact ND1-CB 3.15Å; H369-A371 PolarHBondContact ND1-N 2.73Å; H369-A371 PolarHBondContact O-N 2.81Å; H369-A371 VanDerWaalsContact O-N 3.12Å; A371-Q373 VanDerWaalsContact C-N 3.32Å
372	A	84.1	Confident	82.1	Confident	20 Å²	20	45.9 Å²	45.9	17%	0.165	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-80.6	-14.3	174.4	0	0	0	0	0	112.7	H283 L367 H369 A370	H283-A372 PolarHBondContact CD2-O 3.21Å; H283-A372 VanDerWaalsContact CD2-O 3.26Å; L367-A372 HydrophobicContact CB-CB 4.26Å; L367-A372 HydrophobicContact CD2-CB 3.95Å; L367-A372 HydrophobicContact CG-CB 4.06Å; L367-A372 WeakPolarHBondContact O-CB 3.33Å; H369-A372 WeakPolarHBondContact O-CA 3.19Å; H369-A372 VanDerWaalsContact O-CB 3.26Å; H369-A372 WeakPolarHBondContact O-CB 3.4Å; H369-A372 PolarHBondContact O-N 3.04Å; A370-A372 PolarHBondContact O-N 3.18Å
373	Q	89.3	Confident	82	Confident	20 Å²	20	50.8 Å²	50.8	9%	0.093	28%	0.281	C	S	.	.	S	Bend	trans	-132.6	67.7	177.7	-60.8	-168.4	-23.6	0	0	110.6	H153 L155 W198 A370 A371 E375	H153-Q373 PolarHBondContact O-NE2 3.44Å; L155-Q373 HydrophobicContact CD1-CB 4.24Å; L155-Q373 HydrophobicContact CD1-CG 4.35Å; W198-Q373 HydrophobicContact CD2-CB 3.78Å; W198-Q373 HydrophobicContact CD2-CG 3.83Å; W198-Q373 HydrophobicContact CE3-CB 4.24Å; W198-Q373 HydrophobicContact CE3-CG 3.77Å; W198-Q373 HydrophobicContact CG-CB 4.08Å; W198-Q373 HydrophobicContact CG-CG 4.39Å; W198-Q373 HydrophobicContact CH2-CG 4.34Å; W198-Q373 HydrophobicContact CZ2-CB 4.16Å; W198-Q373 HydrophobicContact CZ2-CG 4.4Å; W198-Q373 HydrophobicContact CZ3-CG 4.03Å; A370-Q373 CarbonylContact O-C 3.57Å; A370-Q373 VanDerWaalsContact O-C 3.23Å; A370-Q373 PolarHBondContact O-N 3.36Å; A371-Q373 VanDerWaalsContact C-N 3.32Å; Q373-E375 PolarHBondContact O-N 3.03Å
374	P	85.3	Confident	82.1	Confident	18 Å²	18	55.1 Å²	55.1	12%	0.117	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-60.6	137.4	178.3	-16.2	27.7	0	0	0	110.8	W198 Q240 H283 Y284	W198-P374 PolarHBondContact NE1-O 2.98Å; Q240-P374 PolarHBondContact NE2-O 3.34Å; H283-P374 HydrophobicContact CB-CG 3.97Å; Y284-P374 HydrophobicContact CE1-CB 4.34Å; Y284-P374 HydrophobicContact CE1-CG 4.09Å; Y284-P374 HydrophobicContact CE2-CG 4.11Å
375	E	76.1	Confident	82.2	Confident	130 Å²	130	55.7 Å²	55.7	61%	0.607	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-64.5	137.8	172.1	-63.6	179.6	179.9	0	0	109.6	I51 Q373	I51-E375 VanDerWaalsContact CG2-OE1 3.24Å; I51-E375 WeakPolarHBondContact CG2-OE1 3.37Å; Q373-E375 PolarHBondContact O-N 3.03Å
376	A	71.2	Confident	82.3	Confident	40 Å²	40	55.9 Å²	55.9	33%	0.331	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-96.9	164.2	168	0	0	0	0	0	110.1	I199 Q240	I199-A376 HydrophobicContact CD1-CB 3.42Å; I199-A376 VanDerWaalsContact CD1-CB 3.42Å; I199-A376 HydrophobicContact CG1-CB 3.86Å; I199-A376 HydrophobicContact CG2-CB 4.2Å; Q240-A376 HydrophobicContact CG-CB 4.45Å
377	D	69.3	Low	82.4	Confident	91 Å²	91	62.7 Å²	62.7	49%	0.487	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-54.5	145.4	166.5	-169	-6.8	0	0	0	109.6	R379	D377-R379 HydrophobicContact CB-CG 4.48Å; D377-R379 PolarHBondContact O-N 2.85Å; D377-R379 IonicContact OD2-CZ 3.75Å; D377-R379 VanDerWaalsContact OD2-CZ 3.26Å; D377-R379 IonicContact OD2-NE 2.8Å; D377-R379 PolarHBondContact OD2-NE 2.99Å; D377-R379 IonicContact OD2-NH2 3.98Å; D377-R379 PolarHBondContact OD2-NH2 3.29Å
378	S	69.4	Low	82.7	Confident	65 Å²	65	61.6 Å²	61.6	46%	0.455	34%	0.338	S	S	.	.	S	Bend	trans	-57.2	3.5	-179.2	61.3	0	0	0	0	116.2
379	R	67.5	Low	83.1	Confident	178 Å²	178	65.4 Å²	65.4	67%	0.672	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	163.5	-179.1	-56.9	-175.6	-156.7	-164.2	6.2	111.4	D377 C381	D377-R379 HydrophobicContact CB-CG 4.48Å; D377-R379 PolarHBondContact O-N 2.85Å; D377-R379 IonicContact OD2-CZ 3.75Å; D377-R379 VanDerWaalsContact OD2-CZ 3.26Å; D377-R379 IonicContact OD2-NE 2.8Å; D377-R379 PolarHBondContact OD2-NE 2.99Å; D377-R379 IonicContact OD2-NH2 3.98Å; D377-R379 PolarHBondContact OD2-NH2 3.29Å; R379-C381 PolarHBondContact O-N 2.59Å
380	G	82.4	Confident	83.6	Confident	24 Å²	24	62.8 Å²	62.8	25%	0.247	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	-121.1	-177.4	0	0	0	0	0	112.1
381	C	91.4	Very high	84.4	Confident	4 Å²	4	61.3 Å²	61.3	3%	0.027	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-8.4	-165.4	-59.5	0	0	0	0	115.6	R379 L383 C392 L393 L394	R379-C381 PolarHBondContact O-N 2.59Å; C381-L383 PolarHBondContact O-N 2.7Å; C381-C392 WeakPolarHBondContact CA-SG 3.02Å; C381-C392 HydrophobicContact CB-CB 3.65Å; C381-C392 WeakPolarHBondContact CB-SG 3.24Å; C381-C392 WeakPolarHBondContact SG-CB 3.36Å; C381-C392 PolarHBondContact SG-O 2.96Å; C381-C392 CovalentContact SG-SG 2.04Å; C381-C392 PolarHBondContact SG-SG 2.86Å; C381-L393 VanDerWaalsContact SG-C 3.53Å; C381-L393 PolarHBondContact SG-N 2.97Å; C381-L393 VanDerWaalsContact SG-N 3.41Å; C381-L394 HydrophobicContact CB-CD2 4.06Å
382	A	85.3	Confident	85.2	Confident	50 Å²	50	59.8 Å²	59.8	41%	0.413	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-36.3	-173.3	0	0	0	0	0	113.6
383	L	85.4	Confident	85.8	Confident	113 Å²	113	58.9 Å²	58.9	59%	0.592	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	123.1	179.9	-63.7	174.3	0	0	0	110.7	C381 N385 G386	C381-L383 PolarHBondContact O-N 2.7Å; L383-N385 PolarHBondContact O-N 3.29Å; L383-N385 VanDerWaalsContact O-N 3.11Å; L383-G386 PolarHBondContact O-N 3.41Å
384	N	88.4	Confident	86	Confident	147 Å²	147	58.6 Å²	58.6	79%	0.786	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	45.1	42.6	175.9	-64.3	-7	0	0	0	114.4	G386 R387	N384-G386 PolarHBondContact O-N 2.96Å; N384-G386 VanDerWaalsContact O-N 3.13Å; N384-R387 PolarHBondContact O-N 3.5Å
385	N	91.1	Very high	86.5	Confident	37 Å²	37	58.3 Å²	58.3	20%	0.198	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	49.4	38.6	-177	-167	53.1	0	0	0	112.4	K202 L383 R387 C388 Q390 C392	K202-N385 PolarHBondContact NZ-OD1 3.3Å; L383-N385 PolarHBondContact O-N 3.29Å; L383-N385 VanDerWaalsContact O-N 3.11Å; N385-R387 PolarHBondContact O-N 3.48Å; N385-R387 VanDerWaalsContact O-N 3.08Å; N385-C388 PolarHBondContact ND2-O 2.9Å; N385-C388 WeakPolarHBondContact O-CB 3.15Å; N385-C388 PolarHBondContact O-N 3.03Å; N385-Q390 PolarHBondContact ND2-O 2.82Å; N385-C392 WeakPolarHBondContact O-CB 3.46Å; N385-C392 PolarHBondContact OD1-N 2.95Å
386	G	90.3	Very high	87.2	Confident	26 Å²	26	54.5 Å²	54.5	27%	0.268	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	62.7	13.7	-177.9	0	0	0	0	0	115.5	L383 N384	L383-G386 PolarHBondContact O-N 3.41Å; N384-G386 PolarHBondContact O-N 2.96Å; N384-G386 VanDerWaalsContact O-N 3.13Å
387	R	91.7	Very high	88.1	Confident	188 Å²	188	57.7 Å²	57.7	71%	0.709	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	63.9	22.4	-166.6	-46.5	179.2	-176.3	-177.7	0.5	114.3	N384 N385 R415	N384-R387 PolarHBondContact O-N 3.5Å; N385-R387 PolarHBondContact O-N 3.48Å; N385-R387 VanDerWaalsContact O-N 3.08Å; R387-R415 WeakPolarHBondContact O-CD 3.36Å
388	C	94.1	Very high	88.8	Confident	11 Å²	11	56 Å²	56	7%	0.074	31%	0.31	C	S	.	.			trans	-88.2	139.9	172.2	-52.3	0	0	0	0	110.2	N385 L391 C392 C402	N385-C388 PolarHBondContact ND2-O 2.9Å; N385-C388 WeakPolarHBondContact O-CB 3.15Å; N385-C388 PolarHBondContact O-N 3.03Å; C388-L391 WeakPolarHBondContact CB-O 3.36Å; C388-C392 HydrophobicContact CB-CB 4.09Å; C388-C392 VanDerWaalsContact SG-CB 3.59Å; C388-C402 WeakPolarHBondContact CA-SG 3.38Å; C388-C402 HydrophobicContact CB-CB 3.63Å; C388-C402 WeakPolarHBondContact CB-SG 3.16Å; C388-C402 WeakPolarHBondContact SG-CA 3.29Å; C388-C402 WeakPolarHBondContact SG-CB 3.39Å; C388-C402 CovalentContact SG-SG 2.03Å; C388-C402 PolarHBondContact SG-SG 3.08Å
389	E	91.8	Very high	89.7	Confident	90 Å²	90	59.1 Å²	59.1	42%	0.421	32%	0.317	S	S	.	.	S	Bend	trans	-61.3	-53.5	179	-175.5	-160	116.2	0	0	111.7	R415 V416 C417	E389-R415 WeakPolarHBondContact CB-O 3.46Å; E389-R415 PolarHBondContact N-O 3.47Å; E389-R415 VanDerWaalsContact N-O 3.1Å; E389-V416 WeakPolarHBondContact OE2-CA 3.45Å; E389-V416 WeakPolarHBondContact OE2-CG1 3.36Å; E389-C417 WeakPolarHBondContact OE1-CB 3.43Å; E389-C417 PolarHBondContact OE2-N 3.38Å
390	Q	93.3	Very high	90.8	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.014	30%	0.3	C	S	.	.	S	Bend	trans	-105.2	-76.9	-173.7	-58.9	-171.9	3.5	0	0	111.8	Q215 H220 N385 C417	Q215-Q390 PolarHBondContact NE2-O 2.73Å; H220-Q390 HydrophobicContact CB-CB 4.07Å; N385-Q390 PolarHBondContact ND2-O 2.82Å; Q390-C417 VanDerWaalsContact CD-CB 3.44Å; Q390-C417 HydrophobicContact CG-CB 3.86Å; Q390-C417 VanDerWaalsContact NE2-CB 3.29Å
391	L	95.6	Very high	91.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.2	-178.4	-62.3	173.2	0	0	0	110.8	K202 V213 Q215 H220 L222 C388 L393 C402 A403	K202-L391 HydrophobicContact CD-CD2 3.79Å; V213-L391 HydrophobicContact CG1-CD1 4.27Å; Q215-L391 HydrophobicContact CG-CD2 3.8Å; H220-L391 HydrophobicContact CB-CD2 4.16Å; H220-L391 HydrophobicContact CB-CG 4.17Å; H220-L391 WeakPolarHBondContact O-CD1 3.47Å; H220-L391 WeakPolarHBondContact O-CD2 3.38Å; L222-L391 HydrophobicContact CB-CD1 3.67Å; L222-L391 HydrophobicContact CD2-CD1 4.35Å; C388-L391 WeakPolarHBondContact CB-O 3.36Å; L391-L393 HydrophobicContact CB-CD2 4.4Å; L391-C402 CarbonylContact O-C 3.55Å; L391-C402 VanDerWaalsContact O-CA 3.31Å; L391-C402 WeakPolarHBondContact O-CA 3.11Å; L391-A403 HydrophobicContact CB-CB 4.18Å; L391-A403 WeakPolarHBondContact CB-O 3.22Å; L391-A403 PolarHBondContact N-O 2.79Å; L391-A403 PolarHBondContact O-N 3.39Å
392	C	96.2	Very high	91.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.4	154.4	-176.1	0	0	0	0	108.6	K202 C381 N385 C388	K202-C392 VanDerWaalsContact CE-O 3.28Å; K202-C392 WeakPolarHBondContact CE-O 3.46Å; C381-C392 WeakPolarHBondContact CA-SG 3.02Å; C381-C392 HydrophobicContact CB-CB 3.65Å; C381-C392 WeakPolarHBondContact CB-SG 3.24Å; C381-C392 WeakPolarHBondContact SG-CB 3.36Å; C381-C392 PolarHBondContact SG-O 2.96Å; C381-C392 CovalentContact SG-SG 2.04Å; C381-C392 PolarHBondContact SG-SG 2.86Å; N385-C392 WeakPolarHBondContact O-CB 3.46Å; N385-C392 PolarHBondContact OD1-N 2.95Å; C388-C392 HydrophobicContact CB-CB 4.09Å; C388-C392 VanDerWaalsContact SG-CB 3.59Å
393	L	96.3	Very high	92.1	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.6	178.5	-54.8	177.4	0	0	0	109.3	K202 V213 L222 L224 D261 C381 L391 S395 G400 R401 A403	K202-L393 HydrophobicContact CG-CD2 4.36Å; V213-L393 HydrophobicContact CG1-CD1 4.37Å; V213-L393 HydrophobicContact CG1-CD2 3.98Å; V213-L393 HydrophobicContact CG2-CD2 3.87Å; L222-L393 HydrophobicContact CD2-CD1 4.4Å; L224-L393 HydrophobicContact CD2-CD1 3.8Å; D261-L393 HydrophobicContact CB-CB 4.05Å; C381-L393 VanDerWaalsContact SG-C 3.53Å; C381-L393 PolarHBondContact SG-N 2.97Å; C381-L393 VanDerWaalsContact SG-N 3.41Å; L391-L393 HydrophobicContact CB-CD2 4.4Å; L393-S395 PolarHBondContact O-N 3.48Å; L393-G400 WeakPolarHBondContact O-CA 3.38Å; L393-R401 PolarHBondContact N-O 2.94Å; L393-R401 PolarHBondContact O-N 2.04Å; L393-A403 HydrophobicContact CD1-CB 3.72Å; L393-A403 HydrophobicContact CG-CB 4.21Å
394	L	94.7	Very high	92.6	Very high	14 Å²	14	51.3 Å²	51.3	7%	0.073	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	132.1	175.3	-60.7	175	0	0	0	109.2	I199 P239 A242 M260 D261 C381	I199-L394 HydrophobicContact CB-CD1 4.26Å; I199-L394 HydrophobicContact CG2-CD1 3.98Å; I199-L394 HydrophobicContact CG2-CD2 4.35Å; P239-L394 HydrophobicContact CB-CD1 3.88Å; A242-L394 HydrophobicContact CB-CB 3.94Å; M260-L394 VanDerWaalsContact CB-O 3.31Å; M260-L394 WeakPolarHBondContact CB-O 3.48Å; M260-L394 HydrophobicContact CE-CB 4.42Å; M260-L394 HydrophobicContact CE-CD1 4.1Å; D261-L394 PolarHBondContact N-O 2.94Å; C381-L394 HydrophobicContact CB-CD2 4.06Å
395	S	94.2	Very high	92.9	Very high	11 Å²	11	44.8 Å²	44.8	8%	0.077	24%	0.244	C	C	.	.			trans	-111.9	146.5	179.5	-172	0	0	0	0	110.7	D261 L393 N397 G398 H399	D261-S395 WeakPolarHBondContact OD2-CB 3.33Å; D261-S395 PolarHBondContact OD2-OG 2.75Å; L393-S395 PolarHBondContact O-N 3.48Å; S395-N397 WeakPolarHBondContact CB-OD1 3.4Å; S395-N397 PolarHBondContact O-N 3.44Å; S395-G398 PolarHBondContact O-N 2.96Å; S395-H399 WeakPolarHBondContact CB-O 3.06Å; S395-H399 PolarHBondContact N-O 2.94Å
396	P	92.5	Very high	92.9	Very high	51 Å²	51	45.8 Å²	45.8	33%	0.331	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-11.3	179.6	-27.6	36.4	0	0	0	116	A242 Y243 A259 G398	A242-P396 HydrophobicContact CB-CG 4.31Å; Y243-P396 HydrophobicContact CE1-CB 4.45Å; Y243-P396 HydrophobicContact CE1-CG 3.73Å; Y243-P396 HydrophobicContact CE2-CB 4.32Å; Y243-P396 HydrophobicContact CE2-CG 4.29Å; Y243-P396 WeakPolarHBondContact OH-CB 3.03Å; A259-P396 HydrophobicContact CB-CG 3.81Å; P396-G398 PolarHBondContact O-N 3.42Å
397	N	89.1	Confident	92.7	Very high	106 Å²	106	47 Å²	47	57%	0.567	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	1.5	172.1	67.1	11.3	0	0	0	113.9	S395 H399	S395-N397 WeakPolarHBondContact CB-OD1 3.4Å; S395-N397 PolarHBondContact O-N 3.44Å; N397-H399 VanDerWaalsContact C-N 3.33Å; N397-H399 WeakPolarHBondContact OD1-CB 3.17Å; N397-H399 PolarHBondContact OD1-N 3.13Å
398	G	84.4	Confident	92.7	Very high	56 Å²	56	40.7 Å²	40.7	58%	0.577	24%	0.24	S	C	*	.	S	Bend	trans	83.7	1.1	-179.5	0	0	0	0	0	115	S395 P396	S395-G398 PolarHBondContact O-N 2.96Å; P396-G398 PolarHBondContact O-N 3.42Å
399	H	87.8	Confident	92.5	Very high	131 Å²	131	47.1 Å²	47.1	61%	0.606	26%	0.262	S	S	*	.	S	Bend	trans	-103.6	161.2	175.8	-63.3	-79.8	0	0	0	112	S395 N397	S395-H399 WeakPolarHBondContact CB-O 3.06Å; S395-H399 PolarHBondContact N-O 2.94Å; N397-H399 VanDerWaalsContact C-N 3.33Å; N397-H399 WeakPolarHBondContact OD1-CB 3.17Å; N397-H399 PolarHBondContact OD1-N 3.13Å
400	G	91.7	Very high	92.5	Very high	30 Å²	30	45.6 Å²	45.6	31%	0.309	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.5	167.2	0	0	0	0	0	109.9	L393	L393-G400 WeakPolarHBondContact O-CA 3.38Å
401	R	94.3	Very high	92.4	Very high	131 Å²	131	46.2 Å²	46.2	49%	0.494	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.4	174.8	-176.3	178.4	-179.7	-174.2	-2.2	109.5	D261 L393	D261-R401 HydrophobicContact CB-CB 4.15Å; D261-R401 WeakPolarHBondContact OD2-CD 3.3Å; D261-R401 IonicContact OD2-NH1 3.81Å; L393-R401 PolarHBondContact N-O 2.94Å; L393-R401 PolarHBondContact O-N 2.04Å
402	C	95.5	Very high	92.1	Very high	17 Å²	17	51.9 Å²	51.9	12%	0.115	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	138.7	173.3	-56.3	0	0	0	0	111.1	C388 L391 L410 H414	C388-C402 WeakPolarHBondContact CA-SG 3.38Å; C388-C402 HydrophobicContact CB-CB 3.63Å; C388-C402 WeakPolarHBondContact CB-SG 3.16Å; C388-C402 WeakPolarHBondContact SG-CA 3.29Å; C388-C402 WeakPolarHBondContact SG-CB 3.39Å; C388-C402 CovalentContact SG-SG 2.03Å; C388-C402 PolarHBondContact SG-SG 3.08Å; L391-C402 CarbonylContact O-C 3.55Å; L391-C402 VanDerWaalsContact O-CA 3.31Å; L391-C402 WeakPolarHBondContact O-CA 3.11Å; C402-L410 HydrophobicContact CB-CD1 3.94Å; C402-L410 HydrophobicContact CB-CD2 4.47Å; C402-H414 WeakPolarHBondContact CB-O 3.38Å; C402-H414 PolarHBondContact SG-O 3.11Å
403	A	96.3	Very high	91.9	Very high	17 Å²	17	55.6 Å²	55.6	14%	0.14	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	159.4	176.2	0	0	0	0	0	109.7	L222 L391 L393	L222-A403 HydrophobicContact CD2-CB 3.82Å; L391-A403 HydrophobicContact CB-CB 4.18Å; L391-A403 WeakPolarHBondContact CB-O 3.22Å; L391-A403 PolarHBondContact N-O 2.79Å; L391-A403 PolarHBondContact O-N 3.39Å; L393-A403 HydrophobicContact CD1-CB 3.72Å; L393-A403 HydrophobicContact CG-CB 4.21Å
404	C	94.7	Very high	91.7	Very high	9 Å²	9	61.9 Å²	61.9	6%	0.061	35%	0.351	C	S	.	.			trans	-116	158.8	-179	-54.3	0	0	0	0	110.2	L222 F408 C417	L222-C404 WeakPolarHBondContact CD1-O 3.4Å; C404-F408 HydrophobicContact CB-CB 3.58Å; C404-C417 WeakPolarHBondContact CA-SG 3.02Å; C404-C417 HydrophobicContact CB-CB 3.69Å; C404-C417 WeakPolarHBondContact CB-SG 3Å; C404-C417 WeakPolarHBondContact SG-CA 3.23Å; C404-C417 WeakPolarHBondContact SG-CB 2.99Å; C404-C417 CovalentContact SG-SG 2.03Å; C404-C417 PolarHBondContact SG-SG 2.8Å
405	A	94.6	Very high	91.5	Very high	10 Å²	10	67 Å²	67	8%	0.083	37%	0.369	C	S	.	.			trans	-63.6	161.7	174.8	0	0	0	0	0	112.3	H220 R221 G407 F408	H220-A405 HydrophobicContact CB-CB 4.24Å; R221-A405 CarbonylContact O-C 3.58Å; R221-A405 VanDerWaalsContact O-CA 3.27Å; R221-A405 WeakPolarHBondContact O-CA 3.17Å; R221-A405 WeakPolarHBondContact O-CB 3.4Å; A405-G407 PolarHBondContact O-N 2.63Å; A405-F408 HydrophobicContact CB-CD2 3.99Å; A405-F408 HydrophobicContact CB-CE2 4.44Å; A405-F408 WeakPolarHBondContact O-CB 3.02Å; A405-F408 PolarHBondContact O-N 3.26Å
406	D	90.9	Very high	91.3	Very high	59 Å²	59	69.5 Å²	69.5	32%	0.316	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	128.7	169.9	-77.2	-46.1	0	0	0	110	R221 T223 R226	R221-D406 PolarHBondContact O-N 3.04Å; T223-D406 WeakPolarHBondContact CB-OD2 3.25Å; T223-D406 PolarHBondContact N-OD1 2.69Å; T223-D406 PolarHBondContact N-OD2 3.4Å; T223-D406 PolarHBondContact OG1-OD2 3.22Å; R226-D406 IonicContact NH2-OD1 2.67Å; R226-D406 PolarHBondContact NH2-OD1 3.02Å; R226-D406 IonicContact NH2-OD2 2.67Å
407	G	87.2	Confident	91.2	Very high	50 Å²	50	67.3 Å²	67.3	52%	0.515	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.6	-3.9	-174.2	0	0	0	0	0	115.1	A405 N420	A405-G407 PolarHBondContact O-N 2.63Å; G407-N420 VanDerWaalsContact O-CB 3.31Å; G407-N420 WeakPolarHBondContact O-CB 3.48Å; G407-N420 PolarHBondContact O-N 2.82Å
408	F	90.9	Very high	91	Very high	57 Å²	57	65.9 Å²	65.9	25%	0.25	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	159.4	175.6	-64.9	-103.2	0	0	0	111.2	C404 A405 C417 I418 A419 A433	C404-F408 HydrophobicContact CB-CB 3.58Å; A405-F408 HydrophobicContact CB-CD2 3.99Å; A405-F408 HydrophobicContact CB-CE2 4.44Å; A405-F408 WeakPolarHBondContact O-CB 3.02Å; A405-F408 PolarHBondContact O-N 3.26Å; F408-C417 HydrophobicContact CB-CB 4.38Å; F408-C417 HydrophobicContact CD1-CB 4.39Å; F408-I418 CarbonylContact C-O 3.58Å; F408-I418 WeakPolarHBondContact CA-O 3.47Å; F408-A419 HydrophobicContact CE1-CB 4.47Å; F408-A433 HydrophobicContact CE1-CB 4.17Å; F408-A433 VanDerWaalsContact CE1-O 3.23Å; F408-A433 WeakPolarHBondContact CE1-O 3.23Å; F408-A433 WeakPolarHBondContact CZ-O 3.49Å
409	R	91	Very high	91.1	Very high	145 Å²	145	63.5 Å²	63.5	55%	0.547	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.8	173.6	59.6	175.5	-178.8	153.1	2.4	110.3	I418 N420	R409-I418 HydrophobicContact CG-CB 4.5Å; R409-I418 WeakPolarHBondContact CG-O 3.31Å; R409-I418 PolarHBondContact N-O 3.42Å; R409-I418 PolarHBondContact O-N 2.94Å; R409-N420 HydrophobicContact CB-CB 4.29Å; R409-N420 HydrophobicContact CG-CB 4.22Å
410	L	92.1	Very high	91.1	Very high	59 Å²	59	61.8 Å²	61.8	31%	0.309	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	134.3	177.9	-163.4	70.9	0	0	0	110	C402 H414	C402-L410 HydrophobicContact CB-CD1 3.94Å; C402-L410 HydrophobicContact CB-CD2 4.47Å; L410-H414 HydrophobicContact CD2-CB 4.07Å
411	A	89.9	Confident	90.7	Very high	15 Å²	15	62 Å²	62	12%	0.124	33%	0.328	C	S	.	.			trans	-71.7	172.5	176.2	0	0	0	0	0	112	D413 H414 V416 I418	A411-D413 PolarHBondContact O-N 3.12Å; A411-H414 PolarHBondContact O-N 2.98Å; A411-V416 HydrophobicContact CB-CB 4.04Å; A411-V416 HydrophobicContact CB-CG1 4.3Å; A411-V416 WeakPolarHBondContact CB-O 3.49Å; A411-V416 PolarHBondContact N-O 2.84Å; A411-I418 HydrophobicContact CB-CD1 3.71Å; A411-I418 HydrophobicContact CB-CG1 4.12Å
412	S	90.8	Very high	90.2	Very high	120 Å²	120	59.1 Å²	59.1	84%	0.839	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.1	179	49.1	0	0	0	0	114.3
413	D	90.9	Very high	89.3	Confident	78 Å²	78	60.7 Å²	60.7	42%	0.417	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-6.2	172.4	78.9	-23.1	0	0	0	113.3	A411 R415 V416	A411-D413 PolarHBondContact O-N 3.12Å; D413-R415 VanDerWaalsContact C-N 3.26Å; D413-R415 PolarHBondContact O-N 2.81Å; D413-R415 PolarHBondContact OD1-N 2.04Å; D413-V416 PolarHBondContact OD1-N 3.13Å; D413-V416 WeakPolarHBondContact OD2-CG2 3.43Å
414	H	91.4	Very high	88.4	Confident	133 Å²	133	64 Å²	64	62%	0.616	36%	0.355	S	S	*	.	S	Bend	trans	57	28.4	-174.2	-57.9	-60	0	0	0	115.1	C402 L410 A411	C402-H414 WeakPolarHBondContact CB-O 3.38Å; C402-H414 PolarHBondContact SG-O 3.11Å; L410-H414 HydrophobicContact CD2-CB 4.07Å; A411-H414 PolarHBondContact O-N 2.98Å
415	R	90.5	Very high	87.9	Confident	121 Å²	121	66.4 Å²	66.4	46%	0.457	37%	0.365	S	S	.	.	S	Bend	trans	-137.6	-38.3	178.7	-65.3	178.7	-177.6	149.4	9.2	114.7	R387 E389 D413	R387-R415 WeakPolarHBondContact O-CD 3.36Å; E389-R415 WeakPolarHBondContact CB-O 3.46Å; E389-R415 PolarHBondContact N-O 3.47Å; E389-R415 VanDerWaalsContact N-O 3.1Å; D413-R415 VanDerWaalsContact C-N 3.26Å; D413-R415 PolarHBondContact O-N 2.81Å; D413-R415 PolarHBondContact OD1-N 2.04Å
416	V	90.1	Very high	87.3	Confident	64 Å²	64	67 Å²	67	39%	0.388	37%	0.366	S	S	.	.			trans	-85.5	146.3	-178.5	167.2	0	0	0	0	110.7	E389 A411 D413 I418	E389-V416 WeakPolarHBondContact OE2-CA 3.45Å; E389-V416 WeakPolarHBondContact OE2-CG1 3.36Å; A411-V416 HydrophobicContact CB-CB 4.04Å; A411-V416 HydrophobicContact CB-CG1 4.3Å; A411-V416 WeakPolarHBondContact CB-O 3.49Å; A411-V416 PolarHBondContact N-O 2.84Å; D413-V416 PolarHBondContact OD1-N 3.13Å; D413-V416 WeakPolarHBondContact OD2-CG2 3.43Å; V416-I418 HydrophobicContact CG1-CG1 4.39Å
417	C	90.6	Very high	86.9	Confident	6 Å²	6	65.5 Å²	65.5	4%	0.041	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	109.4	-176.2	-70.7	0	0	0	0	111.1	E389 Q390 C404 F408	E389-C417 WeakPolarHBondContact OE1-CB 3.43Å; E389-C417 PolarHBondContact OE2-N 3.38Å; Q390-C417 VanDerWaalsContact CD-CB 3.44Å; Q390-C417 HydrophobicContact CG-CB 3.86Å; Q390-C417 VanDerWaalsContact NE2-CB 3.29Å; C404-C417 WeakPolarHBondContact CA-SG 3.02Å; C404-C417 HydrophobicContact CB-CB 3.69Å; C404-C417 WeakPolarHBondContact CB-SG 3Å; C404-C417 WeakPolarHBondContact SG-CA 3.23Å; C404-C417 WeakPolarHBondContact SG-CB 2.99Å; C404-C417 CovalentContact SG-SG 2.03Å; C404-C417 PolarHBondContact SG-SG 2.8Å; F408-C417 HydrophobicContact CB-CB 4.38Å; F408-C417 HydrophobicContact CD1-CB 4.39Å
418	I	86.6	Confident	86.7	Confident	75 Å²	75	63.3 Å²	63.3	39%	0.385	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	138.3	-179	-56.3	170.7	0	0	0	108.6	F408 R409 A411 V416 N420	F408-I418 CarbonylContact C-O 3.58Å; F408-I418 WeakPolarHBondContact CA-O 3.47Å; R409-I418 HydrophobicContact CG-CB 4.5Å; R409-I418 WeakPolarHBondContact CG-O 3.31Å; R409-I418 PolarHBondContact N-O 3.42Å; R409-I418 PolarHBondContact O-N 2.94Å; A411-I418 HydrophobicContact CB-CD1 3.71Å; A411-I418 HydrophobicContact CB-CG1 4.12Å; V416-I418 HydrophobicContact CG1-CG1 4.39Å; I418-N420 PolarHBondContact O-N 3.39Å
419	A	86.2	Confident	85.9	Confident	6 Å²	6	66 Å²	66	5%	0.05	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	133.3	175.5	0	0	0	0	0	111.3	F408 C421 A427 A433	F408-A419 HydrophobicContact CE1-CB 4.47Å; A419-C421 VanDerWaalsContact C-N 3.31Å; A419-C421 PolarHBondContact O-N 2.97Å; A419-C421 VanDerWaalsContact O-N 3.13Å; A419-A427 HydrophobicContact CB-CB 4.05Å; A419-A433 HydrophobicContact CB-CB 4.33Å
420	N	86.8	Confident	84.8	Confident	95 Å²	95	61.4 Å²	61.4	51%	0.508	35%	0.353	S	S	.	.			trans	-91.1	65	-174.9	-169.6	29.5	0	0	0	110.9	G407 R409 I418	G407-N420 VanDerWaalsContact O-CB 3.31Å; G407-N420 WeakPolarHBondContact O-CB 3.48Å; G407-N420 PolarHBondContact O-N 2.82Å; R409-N420 HydrophobicContact CB-CB 4.29Å; R409-N420 HydrophobicContact CG-CB 4.22Å; I418-N420 PolarHBondContact O-N 3.39Å
421	C	84.4	Confident	83.2	Confident	35 Å²	35	66.4 Å²	66.4	24%	0.236	38%	0.38	C	S	.	.			trans	-77.4	150.6	-172.4	-51.6	0	0	0	0	113.4	A419 Q425 C435	A419-C421 VanDerWaalsContact C-N 3.31Å; A419-C421 PolarHBondContact O-N 2.97Å; A419-C421 VanDerWaalsContact O-N 3.13Å; C421-Q425 HydrophobicContact CB-CB 3.81Å; C421-C435 WeakPolarHBondContact CA-SG 3.22Å; C421-C435 HydrophobicContact CB-CB 3.75Å; C421-C435 WeakPolarHBondContact CB-SG 2.99Å; C421-C435 PolarHBondContact N-SG 2.71Å; C421-C435 WeakPolarHBondContact SG-CA 3.27Å; C421-C435 WeakPolarHBondContact SG-CB 3.45Å; C421-C435 CovalentContact SG-SG 2.04Å; C421-C435 PolarHBondContact SG-SG 2.95Å
422	T	82.8	Confident	82	Confident	71 Å²	71	71.5 Å²	71.5	44%	0.436	41%	0.405	S	S	.	.			trans	-73.9	168.7	170.9	57.9	0	0	0	0	111.2	D424 Q425	T422-D424 VanDerWaalsContact C-N 3.25Å; T422-D424 WeakPolarHBondContact CB-OD1 3.31Å; T422-D424 PolarHBondContact O-N 2.93Å; T422-D424 VanDerWaalsContact OG1-CG 3.27Å; T422-D424 PolarHBondContact OG1-OD1 2.92Å; T422-D424 PolarHBondContact OG1-OD2 3.05Å; T422-Q425 VanDerWaalsContact N-OE1 3.11Å; T422-Q425 PolarHBondContact O-N 2.9Å; T422-Q425 VanDerWaalsContact OG1-CG 3.29Å; T422-Q425 WeakPolarHBondContact OG1-CG 3.41Å; T422-Q425 PolarHBondContact OG1-OE1 3.46Å
423	A	76	Confident	81	Confident	49 Å²	49	66.6 Å²	66.6	41%	0.405	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-28.7	-174.7	0	0	0	0	0	113.4	Q425 R438	A423-Q425 VanDerWaalsContact C-N 3.25Å; A423-Q425 PolarHBondContact O-N 3.07Å; A423-R438 VanDerWaalsContact O-CZ 3.32Å; A423-R438 PolarHBondContact O-NE 2.03Å; A423-R438 PolarHBondContact O-NH2 2.83Å
424	D	77.6	Confident	80.5	Confident	87 Å²	87	68.1 Å²	68.1	47%	0.465	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.3	174.3	58.5	-66.2	0	0	0	114.1	T422 R438	T422-D424 VanDerWaalsContact C-N 3.25Å; T422-D424 WeakPolarHBondContact CB-OD1 3.31Å; T422-D424 PolarHBondContact O-N 2.93Å; T422-D424 VanDerWaalsContact OG1-CG 3.27Å; T422-D424 PolarHBondContact OG1-OD1 2.92Å; T422-D424 PolarHBondContact OG1-OD2 3.05Å; D424-R438 VanDerWaalsContact O-CG 3.32Å; D424-R438 WeakPolarHBondContact O-CG 3.48Å; D424-R438 PolarHBondContact O-N 2.77Å; D424-R438 VanDerWaalsContact O-N 3.09Å
425	Q	85.2	Confident	80.2	Confident	60 Å²	60	63.4 Å²	63.4	28%	0.28	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	157.1	-179.4	-69.8	172.3	-8.8	0	0	112	C421 T422 A423 C435 I436	C421-Q425 HydrophobicContact CB-CB 3.81Å; T422-Q425 VanDerWaalsContact N-OE1 3.11Å; T422-Q425 PolarHBondContact O-N 2.9Å; T422-Q425 VanDerWaalsContact OG1-CG 3.29Å; T422-Q425 WeakPolarHBondContact OG1-CG 3.41Å; T422-Q425 PolarHBondContact OG1-OE1 3.46Å; A423-Q425 VanDerWaalsContact C-N 3.25Å; A423-Q425 PolarHBondContact O-N 3.07Å; Q425-C435 HydrophobicContact CB-CB 4.19Å; Q425-C435 HydrophobicContact CG-CB 4.42Å; Q425-C435 VanDerWaalsContact OE1-CB 3.24Å; Q425-I436 CarbonylContact C-O 3.57Å; Q425-I436 WeakPolarHBondContact CA-O 3.02Å; Q425-I436 WeakPolarHBondContact CB-O 3.4Å
426	I	80.9	Confident	80	Confident	22 Å²	22	58 Å²	58	11%	0.113	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.3	172.5	-54	174.6	0	0	0	107.6	C435 I436 R438 W441 Y496	I426-C435 WeakPolarHBondContact O-CA 3.22Å; I426-I436 PolarHBondContact N-O 2.03Å; I426-I436 WeakPolarHBondContact O-CG1 3.38Å; I426-I436 PolarHBondContact O-N 3.2Å; I426-R438 HydrophobicContact CD1-CG 4.03Å; I426-R438 HydrophobicContact CG1-CG 3.95Å; I426-W441 HydrophobicContact CB-CE3 4.03Å; I426-W441 HydrophobicContact CB-CZ3 4.11Å; I426-W441 HydrophobicContact CD1-CB 4.35Å; I426-W441 HydrophobicContact CD1-CD2 4.03Å; I426-W441 HydrophobicContact CD1-CE3 3.68Å; I426-W441 HydrophobicContact CD1-CG 4.31Å; I426-W441 HydrophobicContact CD1-CZ3 4.42Å; I426-W441 HydrophobicContact CG1-CE3 4.46Å; I426-W441 HydrophobicContact CG2-CE3 3.78Å; I426-W441 HydrophobicContact CG2-CH2 4.22Å; I426-W441 HydrophobicContact CG2-CZ3 3.43Å; I426-W441 VanDerWaalsContact CG2-CZ3 3.43Å; I426-Y496 HydrophobicContact CD1-CD2 4.35Å; I426-Y496 HydrophobicContact CD1-CG 4.48Å
427	A	83	Confident	79.8	Confident	28 Å²	28	56.5 Å²	56.5	23%	0.231	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125	175.1	0	0	0	0	0	110.3	A419	A419-A427 HydrophobicContact CB-CB 4.05Å
428	C	84.2	Confident	79.4	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.02	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-61.4	141.3	161.8	-54.8	0	0	0	0	109.9	A433 K434 C448	C428-A433 VanDerWaalsContact O-CA 3.32Å; C428-A433 WeakPolarHBondContact O-CA 3.36Å; C428-A433 WeakPolarHBondContact O-CB 3.22Å; C428-K434 PolarHBondContact N-O 2.79Å; C428-K434 PolarHBondContact SG-O 3Å; C428-C448 HydrophobicContact CB-CB 3.66Å; C428-C448 WeakPolarHBondContact CB-SG 3.48Å; C428-C448 WeakPolarHBondContact SG-CA 3.34Å; C428-C448 WeakPolarHBondContact SG-CB 3.21Å; C428-C448 CovalentContact SG-SG 2.03Å; C428-C448 PolarHBondContact SG-SG 3.11Å
429	L	74	Confident	79.3	Confident	114 Å²	114	55 Å²	55	60%	0.597	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-94.9	140.1	174.5	-53.2	-179.6	0	0	0	110.7	N450 E452	L429-N450 PolarHBondContact O-ND2 3.25Å; L429-E452 WeakPolarHBondContact CA-OE2 3.42Å; L429-E452 VanDerWaalsContact CB-OE2 3.28Å; L429-E452 WeakPolarHBondContact CB-OE2 3.4Å; L429-E452 WeakPolarHBondContact CD1-OE1 3.49Å; L429-E452 WeakPolarHBondContact CG-OE1 3.32Å; L429-E452 PolarHBondContact N-OE2 3.48Å
430	G	66.7	Low	79.4	Confident	48 Å²	48	59.3 Å²	59.3	50%	0.495	34%	0.336	S	S	.	.	S	Bend	trans	124	-177.7	179	0	0	0	0	0	113.7	N432 A433	G430-N432 PolarHBondContact O-N 2.74Å; G430-A433 PolarHBondContact O-N 3.29Å
431	D	59.3	Low	79.3	Confident	165 Å²	165	56.8 Å²	56.8	88%	0.882	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.7	-167.3	-56.2	-20.5	0	0	0	115.2
432	N	64.3	Low	79.4	Confident	122 Å²	122	55.9 Å²	55.9	65%	0.652	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	48	175.1	-74.4	-33.7	0	0	0	111	G430 K434 A449	G430-N432 PolarHBondContact O-N 2.74Å; N432-K434 PolarHBondContact O-N 3.07Å; N432-K434 VanDerWaalsContact O-N 3.07Å; N432-A449 HydrophobicContact CB-CB 4.07Å
433	A	70.5	Confident	79.6	Confident	16 Å²	16	53.9 Å²	53.9	13%	0.132	30%	0.299	C	S	.	.			trans	-53.5	116.3	179.5	0	0	0	0	0	111.3	F408 A419 C428 G430	F408-A433 HydrophobicContact CE1-CB 4.17Å; F408-A433 VanDerWaalsContact CE1-O 3.23Å; F408-A433 WeakPolarHBondContact CE1-O 3.23Å; F408-A433 WeakPolarHBondContact CZ-O 3.49Å; A419-A433 HydrophobicContact CB-CB 4.33Å; C428-A433 VanDerWaalsContact O-CA 3.32Å; C428-A433 WeakPolarHBondContact O-CA 3.36Å; C428-A433 WeakPolarHBondContact O-CB 3.22Å; G430-A433 PolarHBondContact O-N 3.29Å
434	K	79.6	Confident	80.1	Confident	111 Å²	111	54 Å²	54	48%	0.483	31%	0.306	S	S	.	.			trans	-126.4	145.8	-174.3	176	-173.1	166	-159.3	0	108.6	C428 N432	C428-K434 PolarHBondContact N-O 2.79Å; C428-K434 PolarHBondContact SG-O 3Å; N432-K434 PolarHBondContact O-N 3.07Å; N432-K434 VanDerWaalsContact O-N 3.07Å
435	C	86	Confident	80.6	Confident	34 Å²	34	53.7 Å²	53.7	23%	0.23	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	121.8	170.3	-54.4	0	0	0	0	110.2	C421 Q425 I426	C421-C435 WeakPolarHBondContact CA-SG 3.22Å; C421-C435 HydrophobicContact CB-CB 3.75Å; C421-C435 WeakPolarHBondContact CB-SG 2.99Å; C421-C435 PolarHBondContact N-SG 2.71Å; C421-C435 WeakPolarHBondContact SG-CA 3.27Å; C421-C435 WeakPolarHBondContact SG-CB 3.45Å; C421-C435 CovalentContact SG-SG 2.04Å; C421-C435 PolarHBondContact SG-SG 2.95Å; Q425-C435 HydrophobicContact CB-CB 4.19Å; Q425-C435 HydrophobicContact CG-CB 4.42Å; Q425-C435 VanDerWaalsContact OE1-CB 3.24Å; I426-C435 WeakPolarHBondContact O-CA 3.22Å
436	I	85.3	Confident	80.8	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	148.5	170	57.7	166.5	0	0	0	108.9	Q425 I426 W441 H447 D453	Q425-I436 CarbonylContact C-O 3.57Å; Q425-I436 WeakPolarHBondContact CA-O 3.02Å; Q425-I436 WeakPolarHBondContact CB-O 3.4Å; I426-I436 PolarHBondContact N-O 2.03Å; I426-I436 WeakPolarHBondContact O-CG1 3.38Å; I426-I436 PolarHBondContact O-N 3.2Å; I436-W441 HydrophobicContact CD1-CE3 3.8Å; I436-W441 HydrophobicContact CD1-CZ3 4.1Å; I436-H447 HydrophobicContact CG2-CB 3.78Å; I436-D453 HydrophobicContact CD1-CB 3.6Å
437	S	85.6	Confident	81.2	Confident	33 Å²	33	54 Å²	54	23%	0.231	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	148.8	173.7	-172.1	0	0	0	0	110.4	I439 Y440	S437-I439 PolarHBondContact O-N 3Å; S437-I439 VanDerWaalsContact O-N 3.12Å; S437-Y440 WeakPolarHBondContact O-CB 3.32Å; S437-Y440 PolarHBondContact O-N 2.97Å
438	R	83.4	Confident	81.3	Confident	13 Å²	13	52.8 Å²	52.8	5%	0.049	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-52.6	-33	178.1	-72.9	163.6	-178	-68.9	-19.8	114.5	A423 D424 I426 Y440 W441 I481 C482 K495 Y496	A423-R438 VanDerWaalsContact O-CZ 3.32Å; A423-R438 PolarHBondContact O-NE 2.03Å; A423-R438 PolarHBondContact O-NH2 2.83Å; D424-R438 VanDerWaalsContact O-CG 3.32Å; D424-R438 WeakPolarHBondContact O-CG 3.48Å; D424-R438 PolarHBondContact O-N 2.77Å; D424-R438 VanDerWaalsContact O-N 3.09Å; I426-R438 HydrophobicContact CD1-CG 4.03Å; I426-R438 HydrophobicContact CG1-CG 3.95Å; R438-Y440 PolarHBondContact O-N 3.1Å; R438-W441 WeakPolarHBondContact O-CB 3.2Å; R438-W441 PolarHBondContact O-N 2.03Å; R438-I481 HydrophobicContact CB-CG2 4.12Å; R438-C482 PolarHBondContact NE-SG 2.98Å; R438-C482 PolarHBondContact NH1-SG 3.01Å; R438-K495 PolarHBondContact NH1-O 3.01Å; R438-Y496 PolarHBondContact NH2-O 2.89Å
439	I	83.7	Confident	81.2	Confident	37 Å²	37	56.5 Å²	56.5	19%	0.19	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-65.7	-17.4	179.2	62.9	173.6	0	0	0	113.6	S437 A478 I481	S437-I439 PolarHBondContact O-N 3Å; S437-I439 VanDerWaalsContact O-N 3.12Å; I439-A478 HydrophobicContact CG2-CB 3.86Å; I439-I481 HydrophobicContact CG2-CD1 3.65Å
440	Y	87.9	Confident	81.7	Confident	97 Å²	97	53.8 Å²	53.8	38%	0.38	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-93.6	2.9	179	-60	-44.2	0	0	0	113.2	S437 R438 D443 H447	S437-Y440 WeakPolarHBondContact O-CB 3.32Å; S437-Y440 PolarHBondContact O-N 2.97Å; R438-Y440 PolarHBondContact O-N 3.1Å; Y440-D443 WeakPolarHBondContact CD1-OD2 3.4Å; Y440-H447 AromaticContact CD1-CE1 3.8Å; Y440-H447 AromaticContact CD1-NE2 3.72Å; Y440-H447 AromaticContact CG-CE1 3.99Å; Y440-H447 AromaticContact CG-NE2 3.86Å
441	W	84.5	Confident	82.7	Confident	42 Å²	42	57.6 Å²	57.6	16%	0.159	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	126	174	-158.3	-77.7	0	0	0	109.5	I426 I436 R438 D443 D453	I426-W441 HydrophobicContact CB-CE3 4.03Å; I426-W441 HydrophobicContact CB-CZ3 4.11Å; I426-W441 HydrophobicContact CD1-CB 4.35Å; I426-W441 HydrophobicContact CD1-CD2 4.03Å; I426-W441 HydrophobicContact CD1-CE3 3.68Å; I426-W441 HydrophobicContact CD1-CG 4.31Å; I426-W441 HydrophobicContact CD1-CZ3 4.42Å; I426-W441 HydrophobicContact CG1-CE3 4.46Å; I426-W441 HydrophobicContact CG2-CE3 3.78Å; I426-W441 HydrophobicContact CG2-CH2 4.22Å; I426-W441 HydrophobicContact CG2-CZ3 3.43Å; I426-W441 VanDerWaalsContact CG2-CZ3 3.43Å; I436-W441 HydrophobicContact CD1-CE3 3.8Å; I436-W441 HydrophobicContact CD1-CZ3 4.1Å; R438-W441 WeakPolarHBondContact O-CB 3.2Å; R438-W441 PolarHBondContact O-N 2.03Å; W441-D443 VanDerWaalsContact C-N 3.31Å; W441-D443 PolarHBondContact O-N 3.31Å; W441-D453 HydrophobicContact CD2-CB 4.4Å; W441-D453 HydrophobicContact CE3-CB 4.11Å; W441-D453 HydrophobicContact CZ3-CB 4.22Å
442	C	86.8	Confident	84	Confident	15 Å²	15	51.6 Å²	51.6	10%	0.101	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	42.5	-171.1	-54.8	0	0	0	0	113.8	D453 E454 C457 R460	C442-D453 PolarHBondContact N-O 2.93Å; C442-E454 VanDerWaalsContact C-OE1 3.3Å; C442-E454 WeakPolarHBondContact CA-OE1 3.03Å; C442-E454 PolarHBondContact N-OE1 3.48Å; C442-C457 WeakPolarHBondContact CA-SG 3.38Å; C442-C457 HydrophobicContact CB-CB 3.61Å; C442-C457 WeakPolarHBondContact CB-SG 3.4Å; C442-C457 WeakPolarHBondContact SG-CB 3.34Å; C442-C457 CovalentContact SG-SG 2.03Å; C442-C457 PolarHBondContact SG-SG 3.09Å; C442-R460 WeakPolarHBondContact O-CD 3.36Å; C442-R460 PolarHBondContact O-NH1 3.43Å
443	D	87.4	Confident	85.1	Confident	29 Å²	29	45.8 Å²	45.8	16%	0.155	27%	0.266	C	S	.	.	S	Bend	trans	-86.7	-11.6	175	95.5	2	0	0	0	114.1	Y440 W441 T445 H447 E454	Y440-D443 WeakPolarHBondContact CD1-OD2 3.4Å; W441-D443 VanDerWaalsContact C-N 3.31Å; W441-D443 PolarHBondContact O-N 3.31Å; D443-T445 WeakPolarHBondContact OD1-CA 3.03Å; D443-T445 WeakPolarHBondContact OD1-CB 3.03Å; D443-T445 PolarHBondContact OD1-N 2.86Å; D443-T445 PolarHBondContact OD1-OG1 2.77Å; D443-H447 IonicContact OD1-CD2 3.32Å; D443-H447 IonicContact OD1-NE2 3.36Å; D443-H447 PolarHBondContact OD1-NE2 2.92Å; D443-H447 IonicContact OD2-CD2 3.89Å; D443-H447 IonicContact OD2-CE1 2.84Å; D443-H447 IonicContact OD2-NE2 2.88Å; D443-H447 PolarHBondContact OD2-NE2 2.9Å; D443-E454 PolarHBondContact N-OE1 3.05Å
444	G	86.3	Confident	86	Confident	53 Å²	53	47.2 Å²	47.2	55%	0.546	27%	0.27	S	S	.	.	S	Bend	trans	96.5	2.2	-175.2	0	0	0	0	0	114	E454	G444-E454 VanDerWaalsContact CA-OE2 3.23Å; G444-E454 WeakPolarHBondContact CA-OE2 3.49Å; G444-E454 VanDerWaalsContact N-CD 3.25Å; G444-E454 PolarHBondContact N-OE1 2.87Å; G444-E454 PolarHBondContact N-OE2 3.07Å
445	T	88.6	Confident	86.4	Confident	80 Å²	80	48.4 Å²	48.4	49%	0.491	27%	0.272	S	S	.	.	S	Bend	trans	-128.4	124.9	-176.7	-38.7	0	0	0	0	109.9	D443 H447	D443-T445 WeakPolarHBondContact OD1-CA 3.03Å; D443-T445 WeakPolarHBondContact OD1-CB 3.03Å; D443-T445 PolarHBondContact OD1-N 2.86Å; D443-T445 PolarHBondContact OD1-OG1 2.77Å; T445-H447 PolarHBondContact O-CD2 2.99Å; T445-H447 PolarHBondContact O-N 3.21Å
446	G	89	Confident	86.4	Confident	35 Å²	35	54 Å²	54	36%	0.361	30%	0.3	S	S	.	.			trans	-72.7	101.3	175.7	0	0	0	0	0	112.4
447	H	88.3	Confident	86.4	Confident	52 Å²	52	55.2 Å²	55.2	24%	0.241	31%	0.308	C	S	.	.			trans	-89.7	-21.3	172.7	-57.4	-94	0	0	0	112.7	I436 Y440 D443 T445 D453	I436-H447 HydrophobicContact CG2-CB 3.78Å; Y440-H447 AromaticContact CD1-CE1 3.8Å; Y440-H447 AromaticContact CD1-NE2 3.72Å; Y440-H447 AromaticContact CG-CE1 3.99Å; Y440-H447 AromaticContact CG-NE2 3.86Å; D443-H447 IonicContact OD1-CD2 3.32Å; D443-H447 IonicContact OD1-NE2 3.36Å; D443-H447 PolarHBondContact OD1-NE2 2.92Å; D443-H447 IonicContact OD2-CD2 3.89Å; D443-H447 IonicContact OD2-CE1 2.84Å; D443-H447 IonicContact OD2-NE2 2.88Å; D443-H447 PolarHBondContact OD2-NE2 2.9Å; T445-H447 PolarHBondContact O-CD2 2.99Å; T445-H447 PolarHBondContact O-N 3.21Å; H447-D453 VanDerWaalsContact CA-OD2 3.24Å; H447-D453 WeakPolarHBondContact CA-OD2 3.2Å; H447-D453 VanDerWaalsContact CB-OD2 3.22Å; H447-D453 WeakPolarHBondContact CB-OD2 3.39Å; H447-D453 IonicContact CD2-OD2 3.64Å; H447-D453 IonicContact CG-OD2 3.25Å; H447-D453 PolarHBondContact N-OD2 2.93Å
448	C	86.1	Confident	86.4	Confident	4 Å²	4	55.7 Å²	55.7	3%	0.027	31%	0.31	C	S	.	.	S	Bend	trans	-78.6	141.8	165.8	-63	0	0	0	0	111	C428 N450 M451 E452 D453	C428-C448 HydrophobicContact CB-CB 3.66Å; C428-C448 WeakPolarHBondContact CB-SG 3.48Å; C428-C448 WeakPolarHBondContact SG-CA 3.34Å; C428-C448 WeakPolarHBondContact SG-CB 3.21Å; C428-C448 CovalentContact SG-SG 2.03Å; C428-C448 PolarHBondContact SG-SG 3.11Å; C448-N450 WeakPolarHBondContact CB-OD1 3.3Å; C448-N450 PolarHBondContact O-N 3.49Å; C448-M451 PolarHBondContact O-N 3.33Å; C448-E452 HydrophobicContact CB-CB 4.43Å; C448-D453 HydrophobicContact CB-CB 4.41Å; C448-D453 WeakPolarHBondContact CB-OD1 3.38Å; C448-D453 PolarHBondContact N-OD1 2.91Å; C448-D453 PolarHBondContact N-OD2 3.29Å; C448-D453 VanDerWaalsContact SG-CG 3.53Å
449	A	83.1	Confident	86.4	Confident	81 Å²	81	65.7 Å²	65.7	67%	0.669	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.8	-176.6	0	0	0	0	0	114.4	N432	N432-A449 HydrophobicContact CB-CB 4.07Å
450	N	83.6	Confident	86.5	Confident	57 Å²	57	66.6 Å²	66.6	31%	0.305	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	9.3	179.4	66.8	-9.4	0	0	0	112.5	L429 C448 E452 R455	L429-N450 PolarHBondContact O-ND2 3.25Å; C448-N450 WeakPolarHBondContact CB-OD1 3.3Å; C448-N450 PolarHBondContact O-N 3.49Å; N450-E452 PolarHBondContact O-N 3.16Å; N450-E452 WeakPolarHBondContact OD1-CB 3.43Å; N450-E452 PolarHBondContact OD1-N 3.02Å; N450-E452 VanDerWaalsContact OD1-N 3.07Å; N450-R455 PolarHBondContact O-NH2 3.49Å
451	M	86.6	Confident	86.4	Confident	127 Å²	127	68.1 Å²	68.1	63%	0.626	36%	0.362	S	S	*	.			trans	54.6	26.1	-174.7	-53.4	-179.7	170	0	0	115	C448 D453 E454 R455	C448-M451 PolarHBondContact O-N 3.33Å; M451-D453 VanDerWaalsContact C-N 3.26Å; M451-D453 VanDerWaalsContact C-OD1 3.3Å; M451-D453 WeakPolarHBondContact CA-OD1 3.04Å; M451-D453 PolarHBondContact O-N 3.04Å; M451-E454 PolarHBondContact O-N 2.84Å; M451-E454 VanDerWaalsContact O-N 3.15Å; M451-R455 WeakPolarHBondContact O-CG 3.28Å; M451-R455 PolarHBondContact O-N 2.71Å
452	E	87.9	Confident	86.5	Confident	39 Å²	39	66.6 Å²	66.6	18%	0.182	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-59.5	-34	179	178.2	-179.5	-171.1	0	0	114	L429 C448 N450 E454 R455	L429-E452 WeakPolarHBondContact CA-OE2 3.42Å; L429-E452 VanDerWaalsContact CB-OE2 3.28Å; L429-E452 WeakPolarHBondContact CB-OE2 3.4Å; L429-E452 WeakPolarHBondContact CD1-OE1 3.49Å; L429-E452 WeakPolarHBondContact CG-OE1 3.32Å; L429-E452 PolarHBondContact N-OE2 3.48Å; C448-E452 HydrophobicContact CB-CB 4.43Å; N450-E452 PolarHBondContact O-N 3.16Å; N450-E452 WeakPolarHBondContact OD1-CB 3.43Å; N450-E452 PolarHBondContact OD1-N 3.02Å; N450-E452 VanDerWaalsContact OD1-N 3.07Å; E452-E454 PolarHBondContact O-N 2.93Å; E452-R455 PolarHBondContact O-N 3.2Å; E452-R455 VanDerWaalsContact O-N 3.1Å
453	D	86.7	Confident	86.5	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-63	-16.7	175.5	49.7	-24.7	0	0	0	114.6	I436 W441 C442 H447 C448 M451 C457	I436-D453 HydrophobicContact CD1-CB 3.6Å; W441-D453 HydrophobicContact CD2-CB 4.4Å; W441-D453 HydrophobicContact CE3-CB 4.11Å; W441-D453 HydrophobicContact CZ3-CB 4.22Å; C442-D453 PolarHBondContact N-O 2.93Å; H447-D453 VanDerWaalsContact CA-OD2 3.24Å; H447-D453 WeakPolarHBondContact CA-OD2 3.2Å; H447-D453 VanDerWaalsContact CB-OD2 3.22Å; H447-D453 WeakPolarHBondContact CB-OD2 3.39Å; H447-D453 IonicContact CD2-OD2 3.64Å; H447-D453 IonicContact CG-OD2 3.25Å; H447-D453 PolarHBondContact N-OD2 2.93Å; C448-D453 HydrophobicContact CB-CB 4.41Å; C448-D453 WeakPolarHBondContact CB-OD1 3.38Å; C448-D453 PolarHBondContact N-OD1 2.91Å; C448-D453 PolarHBondContact N-OD2 3.29Å; C448-D453 VanDerWaalsContact SG-CG 3.53Å; M451-D453 VanDerWaalsContact C-N 3.26Å; M451-D453 VanDerWaalsContact C-OD1 3.3Å; M451-D453 WeakPolarHBondContact CA-OD1 3.04Å; M451-D453 PolarHBondContact O-N 3.04Å; D453-C457 PolarHBondContact O-SG 3.09Å
454	E	90.5	Very high	86.3	Confident	47 Å²	47	75.5 Å²	75.5	22%	0.22	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-113.5	6.8	175.8	-63.8	-60.1	140	0	0	112.9	C442 D443 G444 M451 E452	C442-E454 VanDerWaalsContact C-OE1 3.3Å; C442-E454 WeakPolarHBondContact CA-OE1 3.03Å; C442-E454 PolarHBondContact N-OE1 3.48Å; D443-E454 PolarHBondContact N-OE1 3.05Å; G444-E454 VanDerWaalsContact CA-OE2 3.23Å; G444-E454 WeakPolarHBondContact CA-OE2 3.49Å; G444-E454 VanDerWaalsContact N-CD 3.25Å; G444-E454 PolarHBondContact N-OE1 2.87Å; G444-E454 PolarHBondContact N-OE2 3.07Å; M451-E454 PolarHBondContact O-N 2.84Å; M451-E454 VanDerWaalsContact O-N 3.15Å; E452-E454 PolarHBondContact O-N 2.93Å
455	R	86.9	Confident	85.9	Confident	136 Å²	136	75.3 Å²	75.3	51%	0.513	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	139.4	173.3	-67.1	178.8	-157.7	174.9	6.5	110.6	N450 M451 E452 C457	N450-R455 PolarHBondContact O-NH2 3.49Å; M451-R455 WeakPolarHBondContact O-CG 3.28Å; M451-R455 PolarHBondContact O-N 2.71Å; E452-R455 PolarHBondContact O-N 3.2Å; E452-R455 VanDerWaalsContact O-N 3.1Å; R455-C457 PolarHBondContact O-N 3.23Å; R455-C457 VanDerWaalsContact O-N 3.11Å
456	D	85.6	Confident	85.9	Confident	152 Å²	152	74.9 Å²	74.9	81%	0.813	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	26	-179.8	-53.9	-33.2	0	0	0	113.9	H470	D456-H470 PolarHBondContact O-CE1 3.15Å
457	C	85.8	Confident	85.8	Confident	31 Å²	31	74 Å²	74	21%	0.209	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-83.1	144.1	176.1	-73	0	0	0	0	112.3	C442 D453 R455	C442-C457 WeakPolarHBondContact CA-SG 3.38Å; C442-C457 HydrophobicContact CB-CB 3.61Å; C442-C457 WeakPolarHBondContact CB-SG 3.4Å; C442-C457 WeakPolarHBondContact SG-CB 3.34Å; C442-C457 CovalentContact SG-SG 2.03Å; C442-C457 PolarHBondContact SG-SG 3.09Å; D453-C457 PolarHBondContact O-SG 3.09Å; R455-C457 PolarHBondContact O-N 3.23Å; R455-C457 VanDerWaalsContact O-N 3.11Å
458	P	84.8	Confident	85.9	Confident	42 Å²	42	71.9 Å²	71.9	27%	0.273	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-66.9	159.4	171	32.4	-38.1	0	0	0	110.7	R460	P458-R460 PolarHBondContact O-N 2.8Å
459	R	84.9	Confident	86	Confident	223 Å²	223	71.7 Å²	71.7	84%	0.842	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-56.5	128.6	175	-178	177.6	177.5	176	0.2	110.2	I461 Q468	R459-I461 PolarHBondContact O-N 2.87Å; R459-Q468 PolarHBondContact O-NE2 2.03Å
460	R	84.9	Confident	86.2	Confident	57 Å²	57	72.3 Å²	72.3	22%	0.215	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-63.8	126.6	178.4	-166.9	71.1	-168.2	-171	-4.3	111.6	C442 P458 C462 S463 Q466	C442-R460 WeakPolarHBondContact O-CD 3.36Å; C442-R460 PolarHBondContact O-NH1 3.43Å; P458-R460 PolarHBondContact O-N 2.8Å; R460-C462 PolarHBondContact NE-O 2.81Å; R460-C462 VanDerWaalsContact NE-O 3.09Å; R460-S463 PolarHBondContact NH2-O 3.06Å; R460-Q466 PolarHBondContact NH2-O 3.25Å
461	I	86.4	Confident	86.2	Confident	128 Å²	128	72 Å²	72	66%	0.656	37%	0.373	S	S	*	.			trans	-122.2	-36.3	178	-61.7	162.3	0	0	0	109.7	R459	R459-I461 PolarHBondContact O-N 2.87Å
462	C	87.1	Confident	86.1	Confident	10 Å²	10	67.5 Å²	67.5	7%	0.068	36%	0.359	C	S	.	.	S	Bend	trans	-73.8	150.1	-176.8	-58.2	0	0	0	0	113.3	R460 Q466 Q468 C475	R460-C462 PolarHBondContact NE-O 2.81Å; R460-C462 VanDerWaalsContact NE-O 3.09Å; C462-Q466 HydrophobicContact CB-CB 4.18Å; C462-Q468 HydrophobicContact CB-CB 4.19Å; C462-Q468 VanDerWaalsContact N-OE1 3.11Å; C462-Q468 VanDerWaalsContact SG-CB 3.58Å; C462-Q468 VanDerWaalsContact SG-CG 3.6Å; C462-C475 WeakPolarHBondContact CA-SG 3.35Å; C462-C475 HydrophobicContact CB-CB 3.74Å; C462-C475 WeakPolarHBondContact CB-SG 3.43Å; C462-C475 WeakPolarHBondContact SG-CA 3.2Å; C462-C475 WeakPolarHBondContact SG-CB 3.34Å; C462-C475 CovalentContact SG-SG 2.03Å; C462-C475 PolarHBondContact SG-SG 3.26Å
463	S	85.1	Confident	85.7	Confident	82 Å²	82	71 Å²	71	57%	0.573	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-62.8	161	177.1	-68.8	0	0	0	0	112.1	R460 G465 Q466	R460-S463 PolarHBondContact NH2-O 3.06Å; S463-G465 PolarHBondContact O-N 3.25Å; S463-Q466 PolarHBondContact O-N 3.39Å
464	V	83.2	Confident	85.6	Confident	150 Å²	150	72.1 Å²	72.1	91%	0.909	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	132.6	175.7	-176.8	0	0	0	0	109.7
465	G	79.2	Confident	85.6	Confident	48 Å²	48	72.5 Å²	72.5	50%	0.495	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-0.7	-179.3	0	0	0	0	0	116	S463	S463-G465 PolarHBondContact O-N 3.25Å
466	Q	87.7	Confident	85.7	Confident	71 Å²	71	66.6 Å²	66.6	33%	0.332	38%	0.376	S	S	.	.	S	Bend	trans	-94.7	155.6	166.4	-67.3	176.2	-33	0	0	110.5	R460 C462 S463 C475 L476	R460-Q466 PolarHBondContact NH2-O 3.25Å; C462-Q466 HydrophobicContact CB-CB 4.18Å; S463-Q466 PolarHBondContact O-N 3.39Å; Q466-C475 HydrophobicContact CB-CB 4.43Å; Q466-L476 WeakPolarHBondContact CA-O 3.36Å
467	F	87.7	Confident	85.8	Confident	16 Å²	16	61 Å²	61	7%	0.07	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	140.3	168	174.7	-92.9	0	0	0	109.8	C475 L476 I481 D493	F467-C475 CarbonylContact O-C 3.54Å; F467-C475 WeakPolarHBondContact O-CA 3.39Å; F467-L476 HydrophobicContact CB-CB 4.42Å; F467-L476 HydrophobicContact CD1-CB 4.4Å; F467-L476 HydrophobicContact CD1-CD1 4.11Å; F467-L476 HydrophobicContact CD1-CG 4.5Å; F467-L476 PolarHBondContact N-O 2.98Å; F467-L476 PolarHBondContact O-N 3.23Å; F467-I481 HydrophobicContact CB-CD1 3.43Å; F467-I481 VanDerWaalsContact CB-CD1 3.43Å; F467-I481 HydrophobicContact CB-CG1 4.07Å; F467-I481 HydrophobicContact CD1-CG1 4.43Å; F467-I481 HydrophobicContact CD2-CD1 4.11Å; F467-I481 HydrophobicContact CG-CD1 3.79Å; F467-I481 HydrophobicContact CG-CG1 4.18Å; F467-D493 HydrophobicContact CE1-CB 4.05Å
468	Q	89.3	Confident	85.7	Confident	8 Å²	8	62.6 Å²	62.6	4%	0.037	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.8	-179.7	-178.1	168.9	-41.1	0	0	109.7	R459 C462	R459-Q468 PolarHBondContact O-NE2 2.03Å; C462-Q468 HydrophobicContact CB-CB 4.19Å; C462-Q468 VanDerWaalsContact N-OE1 3.11Å; C462-Q468 VanDerWaalsContact SG-CB 3.58Å; C462-Q468 VanDerWaalsContact SG-CG 3.6Å
469	C	89.3	Confident	85.8	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.007	39%	0.385	C	S	.	.			trans	-58.8	138.7	171.7	-61.2	0	0	0	0	110.1	S471 G472 G474 C488	C469-S471 VanDerWaalsContact C-N 3.25Å; C469-S471 PolarHBondContact O-N 3.29Å; C469-G472 WeakPolarHBondContact O-CA 3.36Å; C469-G472 PolarHBondContact O-N 3.04Å; C469-G474 PolarHBondContact N-O 3.38Å; C469-G474 VanDerWaalsContact N-O 3.11Å; C469-C488 WeakPolarHBondContact CA-SG 3.48Å; C469-C488 HydrophobicContact CB-CB 3.7Å; C469-C488 WeakPolarHBondContact CB-SG 3.37Å; C469-C488 VanDerWaalsContact SG-CA 3.53Å; C469-C488 WeakPolarHBondContact SG-CB 3.44Å; C469-C488 CovalentContact SG-SG 2.04Å; C469-C488 PolarHBondContact SG-SG 3.22Å
470	H	86.3	Confident	85.9	Confident	94 Å²	94	58.8 Å²	58.8	44%	0.435	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-27.5	-176.9	178.8	99.4	0	0	0	111.8	D456 G472 D490 S492	D456-H470 PolarHBondContact O-CE1 3.15Å; H470-G472 PolarHBondContact O-N 2.84Å; H470-D490 WeakPolarHBondContact CA-OD2 3.37Å; H470-D490 VanDerWaalsContact CB-OD2 3.3Å; H470-D490 WeakPolarHBondContact CB-OD2 3.3Å; H470-D490 PolarHBondContact N-OD2 3.27Å; H470-S492 VanDerWaalsContact CB-OG 3.25Å; H470-S492 WeakPolarHBondContact CB-OG 3.32Å
471	S	85.3	Confident	86	Confident	50 Å²	50	57 Å²	57	35%	0.35	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.5	165.6	56.5	0	0	0	0	114.7	C469 D473 T489 D490	C469-S471 VanDerWaalsContact C-N 3.25Å; C469-S471 PolarHBondContact O-N 3.29Å; S471-D473 WeakPolarHBondContact CB-OD2 3.48Å; S471-D473 PolarHBondContact OG-N 3.33Å; S471-D473 PolarHBondContact OG-OD2 2.76Å; S471-T489 WeakPolarHBondContact CB-OG1 3.36Å; S471-T489 PolarHBondContact OG-OG1 2.96Å; S471-D490 PolarHBondContact N-OD2 3.36Å
472	G	83.3	Confident	85.8	Confident	33 Å²	33	52.2 Å²	52.2	34%	0.34	33%	0.326	S	S	.	.	S	Bend	trans	86.6	-1.5	-172.7	0	0	0	0	0	114.8	C469 H470 G474	C469-G472 WeakPolarHBondContact O-CA 3.36Å; C469-G472 PolarHBondContact O-N 3.04Å; H470-G472 PolarHBondContact O-N 2.84Å; G472-G474 VanDerWaalsContact C-N 3.3Å; G472-G474 PolarHBondContact O-N 3.1Å
473	D	80	Confident	85.9	Confident	111 Å²	111	54.7 Å²	54.7	59%	0.594	34%	0.339	S	S	*	.	S	Bend	trans	-77.4	-4.1	-168.1	-64.8	-29.3	0	0	0	115.4	S471 T489	S471-D473 WeakPolarHBondContact CB-OD2 3.48Å; S471-D473 PolarHBondContact OG-N 3.33Å; S471-D473 PolarHBondContact OG-OD2 2.76Å; D473-T489 HydrophobicContact CB-CG2 4.16Å; D473-T489 WeakPolarHBondContact OD2-CB 3.36Å; D473-T489 VanDerWaalsContact OD2-CG2 3.31Å; D473-T489 WeakPolarHBondContact OD2-CG2 3.03Å; D473-T489 PolarHBondContact OD2-OG1 3.2Å
474	G	83.9	Confident	85.9	Confident	24 Å²	24	53.1 Å²	53.1	25%	0.247	34%	0.336	C	S	.	.			trans	-177.1	162.7	-178.7	0	0	0	0	0	116.5	C469 G472	C469-G474 PolarHBondContact N-O 3.38Å; C469-G474 VanDerWaalsContact N-O 3.11Å; G472-G474 VanDerWaalsContact C-N 3.3Å; G472-G474 PolarHBondContact O-N 3.1Å
475	C	90.3	Very high	86.2	Confident	55 Å²	55	49.9 Å²	49.9	37%	0.372	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117.7	175.6	-56.2	0	0	0	0	109.5	C462 Q466 F467	C462-C475 WeakPolarHBondContact CA-SG 3.35Å; C462-C475 HydrophobicContact CB-CB 3.74Å; C462-C475 WeakPolarHBondContact CB-SG 3.43Å; C462-C475 WeakPolarHBondContact SG-CA 3.2Å; C462-C475 WeakPolarHBondContact SG-CB 3.34Å; C462-C475 CovalentContact SG-SG 2.03Å; C462-C475 PolarHBondContact SG-SG 3.26Å; Q466-C475 HydrophobicContact CB-CB 4.43Å; F467-C475 CarbonylContact O-C 3.54Å; F467-C475 WeakPolarHBondContact O-CA 3.39Å
476	L	89.3	Confident	86.7	Confident	12 Å²	12	51.5 Å²	51.5	6%	0.063	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	149	-174.8	-57	-176.3	0	0	0	112	Q466 F467 Q480 H487 D493	Q466-L476 WeakPolarHBondContact CA-O 3.36Å; F467-L476 HydrophobicContact CB-CB 4.42Å; F467-L476 HydrophobicContact CD1-CB 4.4Å; F467-L476 HydrophobicContact CD1-CD1 4.11Å; F467-L476 HydrophobicContact CD1-CG 4.5Å; F467-L476 PolarHBondContact N-O 2.98Å; F467-L476 PolarHBondContact O-N 3.23Å; L476-Q480 HydrophobicContact CB-CB 4.23Å; L476-Q480 HydrophobicContact CD1-CB 4.49Å; L476-H487 HydrophobicContact CD1-CB 3.72Å; L476-H487 HydrophobicContact CD2-CB 3.65Å; L476-H487 HydrophobicContact CG-CB 4.37Å; L476-D493 HydrophobicContact CD1-CB 3.61Å
477	A	87.3	Confident	86.9	Confident	36 Å²	36	51.5 Å²	51.5	30%	0.298	31%	0.314	S	S	.	.			trans	-80.8	155.4	168.7	0	0	0	0	0	111	H479 Q480	A477-H479 PolarHBondContact O-N 3.03Å; A477-Q480 WeakPolarHBondContact O-CB 3.04Å; A477-Q480 PolarHBondContact O-N 3.39Å
478	A	84.2	Confident	87	Confident	63 Å²	63	51 Å²	51	52%	0.521	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-57.2	-17.5	-175.8	0	0	0	0	0	115.7	I439	I439-A478 HydrophobicContact CG2-CB 3.86Å
479	H	86.1	Confident	87	Confident	143 Å²	143	55.5 Å²	55.5	66%	0.662	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-85.2	-9.9	177.3	70.6	-95.1	0	0	0	114.2	A477	A477-H479 PolarHBondContact O-N 3.03Å
480	Q	88.7	Confident	87	Confident	43 Å²	43	58.2 Å²	58.2	20%	0.201	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-99.1	13.7	179.7	-58.6	176.9	-94.4	0	0	112.4	L476 A477 H487	L476-Q480 HydrophobicContact CB-CB 4.23Å; L476-Q480 HydrophobicContact CD1-CB 4.49Å; A477-Q480 WeakPolarHBondContact O-CB 3.04Å; A477-Q480 PolarHBondContact O-N 3.39Å; Q480-H487 PolarHBondContact NE2-ND1 3.25Å; Q480-H487 PolarHBondContact O-CD2 3.24Å; Q480-H487 VanDerWaalsContact O-CD2 3.27Å
481	I	85.7	Confident	87	Confident	18 Å²	18	61.3 Å²	61.3	9%	0.092	36%	0.362	C	S	.	.	S	Bend	trans	-113.8	123.4	-177.7	-49	169.3	0	0	0	107.1	R438 I439 F467 D483 D493	R438-I481 HydrophobicContact CB-CG2 4.12Å; I439-I481 HydrophobicContact CG2-CD1 3.65Å; F467-I481 HydrophobicContact CB-CD1 3.43Å; F467-I481 VanDerWaalsContact CB-CD1 3.43Å; F467-I481 HydrophobicContact CB-CG1 4.07Å; F467-I481 HydrophobicContact CD1-CG1 4.43Å; F467-I481 HydrophobicContact CD2-CD1 4.11Å; F467-I481 HydrophobicContact CG-CD1 3.79Å; F467-I481 HydrophobicContact CG-CG1 4.18Å; I481-D483 VanDerWaalsContact C-N 3.29Å; I481-D483 PolarHBondContact O-N 3.41Å; I481-D493 WeakPolarHBondContact CG2-O 3.46Å
482	C	83.6	Confident	87.2	Confident	28 Å²	28	59.7 Å²	59.7	19%	0.189	35%	0.351	C	S	.	.	S	Bend	trans	54	44	-171.3	-53.5	0	0	0	0	112.9	R438 D493 E494 C497 L501	R438-C482 PolarHBondContact NE-SG 2.98Å; R438-C482 PolarHBondContact NH1-SG 3.01Å; C482-D493 PolarHBondContact N-O 3.14Å; C482-E494 WeakPolarHBondContact CA-OE1 3.38Å; C482-E494 PolarHBondContact N-OE1 3.33Å; C482-C497 WeakPolarHBondContact CA-SG 3.39Å; C482-C497 HydrophobicContact CB-CB 3.88Å; C482-C497 WeakPolarHBondContact CB-SG 3.25Å; C482-C497 VanDerWaalsContact SG-CA 3.52Å; C482-C497 WeakPolarHBondContact SG-CB 3.43Å; C482-C497 CovalentContact SG-SG 2.03Å; C482-C497 PolarHBondContact SG-SG 3.34Å; C482-L501 HydrophobicContact CB-CD1 4.21Å; C482-L501 WeakPolarHBondContact O-CD1 3.08Å; C482-L501 WeakPolarHBondContact O-CD2 3.06Å
483	D	87.7	Confident	87.4	Confident	63 Å²	63	58.1 Å²	58.1	34%	0.337	34%	0.335	S	S	.	.	S	Bend	trans	-92.5	-10.2	165.9	73.3	0.5	0	0	0	112	I481 V485 H487 E494	I481-D483 VanDerWaalsContact C-N 3.29Å; I481-D483 PolarHBondContact O-N 3.41Å; D483-V485 WeakPolarHBondContact OD1-CA 2.99Å; D483-V485 VanDerWaalsContact OD1-CB 3.29Å; D483-V485 WeakPolarHBondContact OD1-CB 3.38Å; D483-V485 PolarHBondContact OD1-N 3.24Å; D483-H487 IonicContact OD1-CD2 3.92Å; D483-H487 IonicContact OD1-NE2 2.73Å; D483-H487 PolarHBondContact OD1-NE2 3.49Å; D483-H487 IonicContact OD2-CD2 3.27Å; D483-H487 IonicContact OD2-CE1 3.77Å; D483-H487 IonicContact OD2-NE2 3.59Å; D483-H487 PolarHBondContact OD2-NE2 2.62Å; D483-E494 PolarHBondContact N-OE1 2.96Å
484	G	85.6	Confident	87.8	Confident	49 Å²	49	54.8 Å²	54.8	51%	0.505	32%	0.316	S	S	.	.	S	Bend	trans	92.4	5.2	-178.6	0	0	0	0	0	113.9	E494	G484-E494 WeakPolarHBondContact CA-OE2 3.01Å; G484-E494 PolarHBondContact N-OE1 2.8Å
485	V	89.9	Confident	87.5	Confident	82 Å²	82	58.3 Å²	58.3	50%	0.497	32%	0.324	S	S	.	.	S	Bend	trans	-110.5	133.2	177	-177.3	0	0	0	0	108.4	D483 H487	D483-V485 WeakPolarHBondContact OD1-CA 2.99Å; D483-V485 VanDerWaalsContact OD1-CB 3.29Å; D483-V485 WeakPolarHBondContact OD1-CB 3.38Å; D483-V485 PolarHBondContact OD1-N 3.24Å; V485-H487 PolarHBondContact O-CD2 3.45Å; V485-H487 PolarHBondContact O-N 3.02Å; V485-H487 VanDerWaalsContact O-N 3.17Å
486	N	90.3	Very high	86.6	Confident	82 Å²	82	62 Å²	62	44%	0.439	33%	0.331	S	S	.	.			trans	-81	98.2	174.4	-46.5	-72.2	0	0	0	108.9	R491	N486-R491 HydrophobicContact CB-CG 4.06Å; N486-R491 WeakPolarHBondContact OD1-CD 3.43Å; N486-R491 VanDerWaalsContact OD1-CG 3.26Å; N486-R491 WeakPolarHBondContact OD1-CG 3.41Å
487	H	91.3	Very high	85.8	Confident	71 Å²	71	62.8 Å²	62.8	33%	0.329	34%	0.337	S	S	.	.			trans	-83.1	-27.8	168.7	-55.4	-93.8	0	0	0	111.5	L476 Q480 D483 V485 D493	L476-H487 HydrophobicContact CD1-CB 3.72Å; L476-H487 HydrophobicContact CD2-CB 3.65Å; L476-H487 HydrophobicContact CG-CB 4.37Å; Q480-H487 PolarHBondContact NE2-ND1 3.25Å; Q480-H487 PolarHBondContact O-CD2 3.24Å; Q480-H487 VanDerWaalsContact O-CD2 3.27Å; D483-H487 IonicContact OD1-CD2 3.92Å; D483-H487 IonicContact OD1-NE2 2.73Å; D483-H487 PolarHBondContact OD1-NE2 3.49Å; D483-H487 IonicContact OD2-CD2 3.27Å; D483-H487 IonicContact OD2-CE1 3.77Å; D483-H487 IonicContact OD2-NE2 3.59Å; D483-H487 PolarHBondContact OD2-NE2 2.62Å; V485-H487 PolarHBondContact O-CD2 3.45Å; V485-H487 PolarHBondContact O-N 3.02Å; V485-H487 VanDerWaalsContact O-N 3.17Å; H487-D493 WeakPolarHBondContact CA-OD2 3.46Å; H487-D493 WeakPolarHBondContact CB-OD2 3.29Å; H487-D493 IonicContact CD2-OD2 3.62Å; H487-D493 IonicContact CG-OD2 3.04Å; H487-D493 PolarHBondContact N-OD2 3.4Å
488	C	89.3	Confident	84.6	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.034	34%	0.341	C	S	.	.	S	Bend	trans	-88.3	140.8	170.1	-61.1	0	0	0	0	112.3	C469 D490 R491 D493	C469-C488 WeakPolarHBondContact CA-SG 3.48Å; C469-C488 HydrophobicContact CB-CB 3.7Å; C469-C488 WeakPolarHBondContact CB-SG 3.37Å; C469-C488 VanDerWaalsContact SG-CA 3.53Å; C469-C488 WeakPolarHBondContact SG-CB 3.44Å; C469-C488 CovalentContact SG-SG 2.04Å; C469-C488 PolarHBondContact SG-SG 3.22Å; C488-D490 WeakPolarHBondContact CB-OD1 3.48Å; C488-D490 PolarHBondContact O-N 2.73Å; C488-R491 PolarHBondContact O-N 2.03Å; C488-R491 VanDerWaalsContact O-N 3.08Å; C488-D493 HydrophobicContact CB-CB 4.42Å; C488-D493 WeakPolarHBondContact CB-OD1 3.41Å; C488-D493 PolarHBondContact N-OD1 2.97Å; C488-D493 PolarHBondContact N-OD2 2.03Å; C488-D493 VanDerWaalsContact N-OD2 3.11Å
489	T	89.9	Confident	82.9	Confident	103 Å²	103	69.7 Å²	69.7	63%	0.632	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-33	175.6	49.2	0	0	0	0	113.4	S471 D473	S471-T489 WeakPolarHBondContact CB-OG1 3.36Å; S471-T489 PolarHBondContact OG-OG1 2.96Å; D473-T489 HydrophobicContact CB-CG2 4.16Å; D473-T489 WeakPolarHBondContact OD2-CB 3.36Å; D473-T489 VanDerWaalsContact OD2-CG2 3.31Å; D473-T489 WeakPolarHBondContact OD2-CG2 3.03Å; D473-T489 PolarHBondContact OD2-OG1 3.2Å
490	D	88.7	Confident	80.5	Confident	58 Å²	58	72.6 Å²	72.6	31%	0.31	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-1.8	179.4	66.9	-7	0	0	0	114	H470 S471 C488 S492	H470-D490 WeakPolarHBondContact CA-OD2 3.37Å; H470-D490 VanDerWaalsContact CB-OD2 3.3Å; H470-D490 WeakPolarHBondContact CB-OD2 3.3Å; H470-D490 PolarHBondContact N-OD2 3.27Å; S471-D490 PolarHBondContact N-OD2 3.36Å; C488-D490 WeakPolarHBondContact CB-OD1 3.48Å; C488-D490 PolarHBondContact O-N 2.73Å; D490-S492 VanDerWaalsContact C-N 3.27Å; D490-S492 PolarHBondContact O-N 3.3Å; D490-S492 VanDerWaalsContact OD1-CB 3.25Å; D490-S492 WeakPolarHBondContact OD1-CB 3.02Å; D490-S492 PolarHBondContact OD1-N 3.2Å; D490-S492 PolarHBondContact OD1-OG 3.31Å; D490-S492 WeakPolarHBondContact OD2-CB 3.47Å; D490-S492 PolarHBondContact OD2-OG 3.18Å
491	R	87.9	Confident	78.2	Confident	158 Å²	158	74.1 Å²	74.1	60%	0.596	38%	0.377	S	S	*	.			trans	60.7	26.8	-173.3	-44	-175.8	176.2	175.1	-0.2	114.8	N486 C488 D493 E494 K495	N486-R491 HydrophobicContact CB-CG 4.06Å; N486-R491 WeakPolarHBondContact OD1-CD 3.43Å; N486-R491 VanDerWaalsContact OD1-CG 3.26Å; N486-R491 WeakPolarHBondContact OD1-CG 3.41Å; C488-R491 PolarHBondContact O-N 2.03Å; C488-R491 VanDerWaalsContact O-N 3.08Å; R491-D493 VanDerWaalsContact C-N 3.27Å; R491-D493 VanDerWaalsContact CA-OD1 3.3Å; R491-D493 WeakPolarHBondContact CA-OD1 3.25Å; R491-D493 PolarHBondContact O-N 3.38Å; R491-E494 CarbonylContact O-C 3.58Å; R491-E494 PolarHBondContact O-N 2.79Å; R491-K495 PolarHBondContact O-N 3.11Å; R491-K495 VanDerWaalsContact O-N 3.07Å
492	S	88	Confident	75.9	Confident	16 Å²	16	82.2 Å²	82.2	11%	0.112	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.9	179.9	-77.8	0	0	0	0	114.2	H470 D490 K495	H470-S492 VanDerWaalsContact CB-OG 3.25Å; H470-S492 WeakPolarHBondContact CB-OG 3.32Å; D490-S492 VanDerWaalsContact C-N 3.27Å; D490-S492 PolarHBondContact O-N 3.3Å; D490-S492 VanDerWaalsContact OD1-CB 3.25Å; D490-S492 WeakPolarHBondContact OD1-CB 3.02Å; D490-S492 PolarHBondContact OD1-N 3.2Å; D490-S492 PolarHBondContact OD1-OG 3.31Å; D490-S492 WeakPolarHBondContact OD2-CB 3.47Å; D490-S492 PolarHBondContact OD2-OG 3.18Å; S492-K495 WeakPolarHBondContact O-CB 3.11Å; S492-K495 PolarHBondContact O-N 3.05Å
493	D	87.3	Confident	73.5	Confident	1 Å²	1	90.4 Å²	90.4	1%	0.005	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-35.3	169.5	54.8	-27.8	0	0	0	113.8	F467 L476 I481 C482 H487 C488 R491	F467-D493 HydrophobicContact CE1-CB 4.05Å; L476-D493 HydrophobicContact CD1-CB 3.61Å; I481-D493 WeakPolarHBondContact CG2-O 3.46Å; C482-D493 PolarHBondContact N-O 3.14Å; H487-D493 WeakPolarHBondContact CA-OD2 3.46Å; H487-D493 WeakPolarHBondContact CB-OD2 3.29Å; H487-D493 IonicContact CD2-OD2 3.62Å; H487-D493 IonicContact CG-OD2 3.04Å; H487-D493 PolarHBondContact N-OD2 3.4Å; C488-D493 HydrophobicContact CB-CB 4.42Å; C488-D493 WeakPolarHBondContact CB-OD1 3.41Å; C488-D493 PolarHBondContact N-OD1 2.97Å; C488-D493 PolarHBondContact N-OD2 2.03Å; C488-D493 VanDerWaalsContact N-OD2 3.11Å; R491-D493 VanDerWaalsContact C-N 3.27Å; R491-D493 VanDerWaalsContact CA-OD1 3.3Å; R491-D493 WeakPolarHBondContact CA-OD1 3.25Å; R491-D493 PolarHBondContact O-N 3.38Å
494	E	88	Confident	71.1	Confident	40 Å²	40	97.8 Å²	97.8	19%	0.187	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-1.9	175	-71.2	-62.8	133.3	0	0	113.1	C482 D483 G484 R491 C497	C482-E494 WeakPolarHBondContact CA-OE1 3.38Å; C482-E494 PolarHBondContact N-OE1 3.33Å; D483-E494 PolarHBondContact N-OE1 2.96Å; G484-E494 WeakPolarHBondContact CA-OE2 3.01Å; G484-E494 PolarHBondContact N-OE1 2.8Å; R491-E494 CarbonylContact O-C 3.58Å; R491-E494 PolarHBondContact O-N 2.79Å; E494-C497 VanDerWaalsContact CA-SG 3.51Å; E494-C497 PolarHBondContact O-SG 2.91Å
495	K	77.8	Confident	69	Low	99 Å²	99	101 Å²	101	43%	0.43	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	144.7	176.9	-156.6	177.3	178.4	-175.4	0	110.3	R438 R491 S492 C497	R438-K495 PolarHBondContact NH1-O 3.01Å; R491-K495 PolarHBondContact O-N 3.11Å; R491-K495 VanDerWaalsContact O-N 3.07Å; S492-K495 WeakPolarHBondContact O-CB 3.11Å; S492-K495 PolarHBondContact O-N 3.05Å; K495-C497 PolarHBondContact O-N 2.73Å
496	Y	72.5	Confident	66.6	Low	132 Å²	132	103.9 Å²	103.9	52%	0.518	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	1.9	-174.8	-47.9	-79.3	0	0	0	116.2	I426 R438 G498	I426-Y496 HydrophobicContact CD1-CD2 4.35Å; I426-Y496 HydrophobicContact CD1-CG 4.48Å; R438-Y496 PolarHBondContact NH2-O 2.89Å; Y496-G498 PolarHBondContact O-N 3.11Å
497	C	72.6	Confident	64	Low	28 Å²	28	103.1 Å²	103.1	19%	0.189	48%	0.481	C	S	.	.			trans	-58.1	107.7	-177.4	-66.5	0	0	0	0	112.2	C482 E494 K495 Q499	C482-C497 WeakPolarHBondContact CA-SG 3.39Å; C482-C497 HydrophobicContact CB-CB 3.88Å; C482-C497 WeakPolarHBondContact CB-SG 3.25Å; C482-C497 VanDerWaalsContact SG-CA 3.52Å; C482-C497 WeakPolarHBondContact SG-CB 3.43Å; C482-C497 CovalentContact SG-SG 2.03Å; C482-C497 PolarHBondContact SG-SG 3.34Å; E494-C497 VanDerWaalsContact CA-SG 3.51Å; E494-C497 PolarHBondContact O-SG 2.91Å; K495-C497 PolarHBondContact O-N 2.73Å; C497-Q499 PolarHBondContact O-N 3.28Å
498	G	62.1	Low	61.5	Low	37 Å²	37	101.7 Å²	101.7	38%	0.381	49%	0.485	S	S	.	.			trans	-61.8	131.3	-177.4	0	0	0	0	0	110.7	Y496 R500	Y496-G498 PolarHBondContact O-N 3.11Å; G498-R500 PolarHBondContact O-N 3.1Å
499	Q	47.8	Very low	59.2	Low	207 Å²	207	108.6 Å²	108.6	97%	0.967	52%	0.517	S	S	*	.	S	Bend	trans	-56	87.6	-167.7	-67.8	-175.2	-2.2	0	0	114.1	C497	C497-Q499 PolarHBondContact O-N 3.28Å
500	R	36.4	Very low	56.8	Low	205 Å²	205	109.3 Å²	109.3	77%	0.774	51%	0.513	S	S	*	.			trans	-146.5	5.1	173.3	-144	172.1	168.5	157.9	-2.8	115.7	G498 K502	G498-R500 PolarHBondContact O-N 3.1Å; R500-K502 PolarHBondContact O-N 3.17Å
501	L	40.3	Very low	54.6	Low	75 Å²	75	108.8 Å²	108.8	39%	0.393	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-6.7	178.4	-74	163.3	0	0	0	115.2	C482 R503	C482-L501 HydrophobicContact CB-CD1 4.21Å; C482-L501 WeakPolarHBondContact O-CD1 3.08Å; C482-L501 WeakPolarHBondContact O-CD2 3.06Å; L501-R503 VanDerWaalsContact C-N 3.34Å; L501-R503 PolarHBondContact O-N 3.21Å
502	K	36.3	Very low	52.7	Low	188 Å²	188	109.3 Å²	109.3	82%	0.817	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	17.6	175.6	-71.6	-164.5	174.5	-172.5	0	115.7	R500	R500-K502 PolarHBondContact O-N 3.17Å
503	R	33.9	Very low	51	Low	199 Å²	199	116.3 Å²	116.3	75%	0.751	56%	0.556	S	S	*	*	S	Bend	trans	-131.2	-10.1	-179	-77.8	-168.7	174.9	-175	-0.5	117.1	L501 S507	L501-R503 VanDerWaalsContact C-N 3.34Å; L501-R503 PolarHBondContact O-N 3.21Å; R503-S507 WeakPolarHBondContact O-CB 3.46Å; R503-S507 PolarHBondContact O-N 3.34Å; R503-S507 PolarHBondContact O-OG 3.37Å
504	R	37.9	Very low	49.4	Very low	219 Å²	219	122.5 Å²	122.5	83%	0.826	58%	0.583	S	S	*	*	H	α-helix	trans	-82.5	-27	-177	-91.1	-175.9	167.9	175	-3.6	114.9
505	T	40.9	Very low	47.7	Very low	115 Å²	115	122.4 Å²	122.4	71%	0.706	59%	0.592	S	S	*	*	H	α-helix	trans	-77.7	-36.5	176.5	35.8	0	0	0	0	113.2
506	E	39.1	Very low	46.9	Very low	143 Å²	143	124.6 Å²	124.6	67%	0.668	60%	0.602	S	S	*	*	H	α-helix	trans	-82	-46	-179.2	-65.7	173.9	170.6	0	0	112.5	G508 Q509 E510	E506-G508 VanDerWaalsContact C-N 3.25Å; E506-G508 PolarHBondContact O-N 3.27Å; E506-Q509 PolarHBondContact O-N 2.85Å; E506-Q509 VanDerWaalsContact O-N 3.17Å; E506-E510 PolarHBondContact O-N 2.87Å
507	S	37.1	Very low	46.5	Very low	67 Å²	67	124.3 Å²	124.3	47%	0.469	61%	0.605	S	S	.	*	H	α-helix	trans	-66.9	-23.7	-179	62.3	0	0	0	0	114	R503 Q509 G511	R503-S507 WeakPolarHBondContact O-CB 3.46Å; R503-S507 PolarHBondContact O-N 3.34Å; R503-S507 PolarHBondContact O-OG 3.37Å; S507-Q509 VanDerWaalsContact C-N 3.34Å; S507-G511 PolarHBondContact O-N 2.68Å
508	G	38.2	Very low	46.1	Very low	40 Å²	40	129.7 Å²	129.7	41%	0.412	63%	0.625	S	S	.	*	H	α-helix	trans	-69.7	-27	174.9	0	0	0	0	0	114.2	E506	E506-G508 VanDerWaalsContact C-N 3.25Å; E506-G508 PolarHBondContact O-N 3.27Å
509	Q	41.1	Very low	46.3	Very low	151 Å²	151	133.9 Å²	133.9	71%	0.706	64%	0.635	S	S	*	*	H	α-helix	trans	-87	-37.2	174.3	-69.6	-172.1	-18.7	0	0	111.7	E506 S507 K512 K513	E506-Q509 PolarHBondContact O-N 2.85Å; E506-Q509 VanDerWaalsContact O-N 3.17Å; S507-Q509 VanDerWaalsContact C-N 3.34Å; Q509-K512 PolarHBondContact O-N 3.11Å; Q509-K513 PolarHBondContact O-N 3.19Å; Q509-K513 VanDerWaalsContact O-N 3.1Å
510	E	39.7	Very low	47.3	Very low	118 Å²	118	132.4 Å²	132.4	55%	0.551	62%	0.621	S	S	*	*	H	α-helix	trans	-70.1	-38.5	178.7	-149.4	-179.5	-172	0	0	112.4	E506 K513 K514	E506-E510 PolarHBondContact O-N 2.87Å; E510-K513 PolarHBondContact O-N 3.17Å; E510-K514 PolarHBondContact O-N 2.04Å
511	G	42	Very low	49	Very low	46 Å²	46	128.7 Å²	128.7	47%	0.474	61%	0.612	S	S	.	*	H	α-helix	trans	-63.6	-37.9	172.9	0	0	0	0	0	113.4	S507 G515	S507-G511 PolarHBondContact O-N 2.68Å; G511-G515 PolarHBondContact O-N 3.48Å
512	K	47.3	Very low	50.5	Low	169 Å²	169	131 Å²	131	74%	0.735	62%	0.624	S	S	*	*	H	α-helix	trans	-70.7	-28.8	174.8	-79.2	-176	175.8	-179.1	0	113.3	Q509	Q509-K512 PolarHBondContact O-N 3.11Å
513	K	52.6	Low	52.2	Low	163 Å²	163	130 Å²	130	71%	0.709	62%	0.622	S	S	*	*	H	α-helix	trans	-68.4	-53.2	169.5	-92.8	-176.1	170.8	-178.5	0	111.3	Q509 E510 G515 K516 E517	Q509-K513 PolarHBondContact O-N 3.19Å; Q509-K513 VanDerWaalsContact O-N 3.1Å; E510-K513 PolarHBondContact O-N 3.17Å; K513-G515 VanDerWaalsContact C-N 3.31Å; K513-G515 PolarHBondContact O-N 3.4Å; K513-K516 PolarHBondContact O-N 2.89Å; K513-E517 PolarHBondContact O-N 3.3Å
514	K	53.7	Low	54.1	Low	131 Å²	131	131.2 Å²	131.2	57%	0.57	63%	0.627	S	S	*	*	H	α-helix	trans	-64.1	-31.4	-178.2	-73.7	-179.6	176.7	168.8	0	113.7	E510 K518	E510-K514 PolarHBondContact O-N 2.04Å; K514-K518 PolarHBondContact O-N 3.17Å; K514-K518 VanDerWaalsContact O-N 3.14Å
515	G	51.9	Low	55.6	Low	38 Å²	38	127.7 Å²	127.7	39%	0.392	64%	0.644	S	S	.	*	H	α-helix	trans	-62	-51.1	172.2	0	0	0	0	0	112.8	G511 K513 E517 K518 E519	G511-G515 PolarHBondContact O-N 3.48Å; K513-G515 VanDerWaalsContact C-N 3.31Å; K513-G515 PolarHBondContact O-N 3.4Å; G515-E517 VanDerWaalsContact C-N 3.3Å; G515-E517 PolarHBondContact O-N 3.07Å; G515-K518 PolarHBondContact O-N 3.43Å; G515-E519 PolarHBondContact O-N 3.3Å
516	K	60.7	Low	56.4	Low	146 Å²	146	128.3 Å²	128.3	64%	0.635	64%	0.641	S	S	*	*	H	α-helix	trans	-68.5	-26.1	179.2	-74	-167.7	171.1	-166	0	114	K513 R520	K513-K516 PolarHBondContact O-N 2.89Å; K516-R520 WeakPolarHBondContact O-CG 3.3Å; K516-R520 PolarHBondContact O-N 2.87Å
517	E	65.9	Low	57.3	Low	125 Å²	125	127.5 Å²	127.5	58%	0.584	64%	0.639	S	S	*	*	H	α-helix	trans	-71.7	-41.4	174.2	-160.2	156.7	-135.1	0	0	110.6	K513 G515 R520 E521	K513-E517 PolarHBondContact O-N 3.3Å; G515-E517 VanDerWaalsContact C-N 3.3Å; G515-E517 PolarHBondContact O-N 3.07Å; E517-R520 PolarHBondContact O-N 2.64Å; E517-E521 PolarHBondContact O-N 3.23Å
518	K	64.5	Low	58.4	Low	141 Å²	141	130.9 Å²	130.9	61%	0.613	65%	0.649	S	S	*	*	H	α-helix	trans	-67.6	-37.8	174.6	-118.3	-175.2	178.3	-170.5	0	114.2	K514 G515 R520 E521 I522	K514-K518 PolarHBondContact O-N 3.17Å; K514-K518 VanDerWaalsContact O-N 3.14Å; G515-K518 PolarHBondContact O-N 3.43Å; K518-R520 VanDerWaalsContact C-N 3.29Å; K518-R520 PolarHBondContact O-N 3.25Å; K518-E521 PolarHBondContact O-N 3.47Å; K518-I522 VanDerWaalsContact O-CG1 3.3Å; K518-I522 WeakPolarHBondContact O-CG1 3.22Å; K518-I522 PolarHBondContact O-N 3.28Å
519	E	64.7	Low	59.6	Low	126 Å²	126	136.2 Å²	136.2	59%	0.589	66%	0.663	S	S	*	*	H	α-helix	trans	-60.2	-41	171.1	-79.1	175.7	143.4	0	0	111.1	G515 E521 I522 E523	G515-E519 PolarHBondContact O-N 3.3Å; E519-E521 PolarHBondContact O-N 2.92Å; E519-I522 PolarHBondContact O-N 3.19Å; E519-E523 PolarHBondContact O-N 3.22Å
520	R	69.8	Low	60.7	Low	176 Å²	176	135.3 Å²	135.3	66%	0.664	66%	0.66	S	S	*	*	H	α-helix	trans	-72.3	-23.9	177.4	-75.6	176.5	169.7	-164.2	-5	114.7	K516 E517 K518 R524	K516-R520 WeakPolarHBondContact O-CG 3.3Å; K516-R520 PolarHBondContact O-N 2.87Å; E517-R520 PolarHBondContact O-N 2.64Å; K518-R520 VanDerWaalsContact C-N 3.29Å; K518-R520 PolarHBondContact O-N 3.25Å; R520-R524 WeakPolarHBondContact O-CB 3.26Å; R520-R524 WeakPolarHBondContact O-CD 3.37Å; R520-R524 WeakPolarHBondContact O-CG 3.31Å; R520-R524 PolarHBondContact O-N 3.08Å
521	E	71.9	Confident	62.1	Low	126 Å²	126	136.5 Å²	136.5	59%	0.589	67%	0.667	S	S	*	*	H	α-helix	trans	-75.6	-36.9	168.7	-74.1	-175.6	145.6	0	0	111.3	E517 K518 E519 R524 A525	E517-E521 PolarHBondContact O-N 3.23Å; K518-E521 PolarHBondContact O-N 3.47Å; E519-E521 PolarHBondContact O-N 2.92Å; E521-R524 PolarHBondContact O-N 3.27Å; E521-R524 VanDerWaalsContact O-N 3.16Å; E521-A525 PolarHBondContact O-N 2.52Å; E521-A525 VanDerWaalsContact O-N 3.11Å
522	I	70.9	Confident	63.6	Low	124 Å²	124	142.9 Å²	142.9	64%	0.636	68%	0.681	S	S	*	*	H	α-helix	trans	-72.3	-29.4	176.6	-66	165.9	0	0	0	112.1	K518 E519 R524	K518-I522 VanDerWaalsContact O-CG1 3.3Å; K518-I522 WeakPolarHBondContact O-CG1 3.22Å; K518-I522 PolarHBondContact O-N 3.28Å; E519-I522 PolarHBondContact O-N 3.19Å; I522-R524 VanDerWaalsContact C-N 3.28Å
523	E	72	Confident	64.8	Low	168 Å²	168	140.9 Å²	140.9	79%	0.785	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-7.5	169.1	-76.5	-173	140.1	0	0	114	E519	E519-E523 PolarHBondContact O-N 3.22Å
524	R	75.4	Confident	65.8	Low	224 Å²	224	139.1 Å²	139.1	85%	0.845	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	-11.7	-179.8	-80.3	178.8	173.1	-165.4	-3.2	114.3	R520 E521 I522	R520-R524 WeakPolarHBondContact O-CB 3.26Å; R520-R524 WeakPolarHBondContact O-CD 3.37Å; R520-R524 WeakPolarHBondContact O-CG 3.31Å; R520-R524 PolarHBondContact O-N 3.08Å; E521-R524 PolarHBondContact O-N 3.27Å; E521-R524 VanDerWaalsContact O-N 3.16Å; I522-R524 VanDerWaalsContact C-N 3.28Å
525	A	68.6	Low	66.9	Low	144 Å²	144	139.8 Å²	139.8	100%	1.19	68%	0.684	S	S	*	*			trans	-101.2	0	177.2	0	0	0	0	0	110.8	E521	E521-A525 PolarHBondContact O-N 2.52Å; E521-A525 VanDerWaalsContact O-N 3.11Å

Retrieved 525 of 525 residues in 135.8 ms (Link to these results)

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