A0A068F579_HUMAN Loading...

Glucosylceramidase

AlphaFold DB , UniProt , Accession A0A068F579, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 481 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	30.8	Very low	31.4	Very low	235 Å²	235	154.9 Å²	154.9	100%	1.158	82%	0.816	S	S	*	*				0	82.2	0	-74.5	170.1	-175.1	0	0	105.8
2	E	29.2	Very low	31.7	Very low	163 Å²	163	152 Å²	152	76%	0.762	81%	0.813	S	S	*	*				68.7	123.1	92.2	-92.5	-176.7	176.3	0	0	110.8
3	F	29.5	Very low	32.2	Very low	166 Å²	166	156.1 Å²	156.1	73%	0.728	82%	0.819	S	S	*	*			cis	-156.2	142.3	30	-109.3	-77.3	0	0	0	113.4
4	S	29.3	Very low	32.7	Very low	104 Å²	104	154 Å²	154	73%	0.727	82%	0.82	S	S	*	*			trans	38.4	132.8	140.2	58.7	0	0	0	0	125.9
5	S	30.6	Very low	33	Very low	110 Å²	110	154.8 Å²	154.8	77%	0.769	82%	0.823	S	S	*	*			trans	-80.9	-160	168.8	54.7	0	0	0	0	113.9
6	P	53	Low	32.9	Very low	108 Å²	108	152.7 Å²	152.7	70%	0.701	82%	0.824	S	S	*	*			cis	-148.6	176.7	-1.1	37.4	-14.3	0	0	0	120.5
7	S	30.1	Very low	33.1	Very low	102 Å²	102	157.6 Å²	157.6	71%	0.713	83%	0.828	S	S	*	*			trans	81.6	135.1	144.7	73.8	0	0	0	0	118.7
8	R	27.6	Very low	33	Very low	212 Å²	212	155.8 Å²	155.8	80%	0.8	82%	0.824	S	S	*	*				-169.3	147.8	60.5	-94.3	-174	178.7	178.8	-2.4	113.9
9	E	28.4	Very low	32.9	Very low	173 Å²	173	152.9 Å²	152.9	81%	0.808	82%	0.818	S	S	*	*			trans	58.1	114.8	143.4	-69.2	171.3	155.4	0	0	121.8
10	E	30.6	Very low	32.9	Very low	204 Å²	204	153.4 Å²	153.4	95%	0.953	82%	0.819	S	S	*	*			trans	-83.6	147.4	174.9	-76.1	179	139.5	0	0	113.3
11	C	26.3	Very low	32.7	Very low	127 Å²	127	154.8 Å²	154.8	86%	0.858	82%	0.823	S	S	*	*			trans	-128.1	147.9	173.4	-138.1	0	0	0	0	110.1
12	P	35.7	Very low	32.9	Very low	120 Å²	120	148.6 Å²	148.6	78%	0.779	81%	0.809	S	S	*	*			trans	-98.2	165.4	-161.9	37.6	-32.7	0	0	0	115
13	K	38.1	Very low	33	Very low	205 Å²	205	144.1 Å²	144.1	89%	0.891	81%	0.807	S	S	*	*			trans	-73	147.2	177.4	-65.5	177.4	179.4	176	0	113
14	P	38.3	Very low	33.3	Very low	127 Å²	127	141.1 Å²	141.1	83%	0.825	81%	0.806	S	S	*	*			trans	-106.3	159.5	168.3	36.4	-27.6	0	0	0	114.8
15	L	37.1	Very low	33.7	Very low	166 Å²	166	144.5 Å²	144.5	87%	0.869	82%	0.815	S	S	*	*			trans	-77.3	159.2	174.2	-74.7	107.2	0	0	0	113.7
16	S	31.5	Very low	33.9	Very low	121 Å²	121	144.6 Å²	144.6	85%	0.846	81%	0.811	S	S	*	*				168.7	148.8	110.9	54	0	0	0	0	113.5
17	R	37.3	Very low	33	Very low	237 Å²	237	142.7 Å²	142.7	89%	0.894	81%	0.811	S	S	*	*			trans	-86.2	157.6	168.3	-65.9	174.7	167.3	-172	-3.6	108.5
18	V	31.5	Very low	33.4	Very low	124 Å²	124	144.9 Å²	144.9	75%	0.752	81%	0.814	S	S	*	*				178.5	142	71.1	166.8	0	0	0	0	109.9
19	S	31.1	Very low	33.9	Very low	102 Å²	102	142.2 Å²	142.2	71%	0.713	82%	0.815	S	S	*	*			trans	52.9	135.7	153.5	-60.9	0	0	0	0	123.7
20	I	31.5	Very low	34.3	Very low	162 Å²	162	140.8 Å²	140.8	83%	0.831	81%	0.812	S	S	*	*				-178.9	128.6	117.1	-86.7	154.8	0	0	0	111.3
21	M	29.5	Very low	34.5	Very low	183 Å²	183	138.1 Å²	138.1	90%	0.901	80%	0.804	S	S	*	*			trans	43.5	141.9	145	-65	-95.3	-178.9	0	0	124.3
22	A	35.1	Very low	34.9	Very low	105 Å²	105	139.9 Å²	139.9	87%	0.868	80%	0.799	S	S	*	*			trans	-62.1	147.2	174.8	0	0	0	0	0	115.1
23	G	31.4	Very low	34.9	Very low	69 Å²	69	138.4 Å²	138.4	71%	0.711	80%	0.797	S	S	*	*			trans	-155.2	94.7	165.4	0	0	0	0	0	109.7	L25	G23-L25 PolarHBondContact O-N 2.97Å
24	S	36.1	Very low	34.6	Very low	103 Å²	103	133.6 Å²	133.6	72%	0.72	78%	0.784	S	S	*	*			trans	-65.2	109.5	174.2	164	0	0	0	0	110.1	T26	S24-T26 PolarHBondContact O-N 2.98Å; S24-T26 VanDerWaalsContact O-N 3.11Å
25	L	36.3	Very low	34.1	Very low	175 Å²	175	132.2 Å²	132.2	92%	0.916	78%	0.778	S	S	*	*			trans	-78.1	84.4	166.1	-102.3	98.7	0	0	0	109.6	G23 G27	G23-L25 PolarHBondContact O-N 2.97Å; L25-G27 PolarHBondContact O-N 3.07Å
26	T	36	Very low	33.9	Very low	112 Å²	112	135.2 Å²	135.2	69%	0.687	78%	0.778	S	S	*	*			trans	-79.7	90.4	156.1	42.6	0	0	0	0	108.1	S24 L28	S24-T26 PolarHBondContact O-N 2.98Å; S24-T26 VanDerWaalsContact O-N 3.11Å; T26-L28 PolarHBondContact O-N 2.9Å
27	G	34.1	Very low	34.1	Very low	68 Å²	68	133.8 Å²	133.8	70%	0.701	77%	0.774	S	S	*	*			trans	-71.9	100.1	165.3	0	0	0	0	0	109.4	L25 L29	L25-G27 PolarHBondContact O-N 3.07Å; G27-L29 PolarHBondContact O-N 2.8Å
28	L	38.2	Very low	34.5	Very low	148 Å²	148	127 Å²	127	78%	0.775	76%	0.762	S	S	*	*			trans	-64.8	98.5	163.6	-101.1	93.5	0	0	0	108.2	T26 L30	T26-L28 PolarHBondContact O-N 2.9Å; L28-L30 VanDerWaalsContact C-N 3.26Å; L28-L30 PolarHBondContact O-N 2.86Å
29	L	37.1	Very low	36	Very low	156 Å²	156	123.4 Å²	123.4	82%	0.817	75%	0.75	S	S	*	*			trans	-68.1	91.3	156.7	-101.6	136.7	0	0	0	107.3	G27 L31	G27-L29 PolarHBondContact O-N 2.8Å; L29-L31 PolarHBondContact O-N 2.93Å
30	L	37.1	Very low	38.4	Very low	142 Å²	142	120.9 Å²	120.9	74%	0.743	74%	0.736	S	S	*	*			trans	-63.7	83.4	158.1	-91.6	148.2	0	0	0	107.4	L28 Q32	L28-L30 VanDerWaalsContact C-N 3.26Å; L28-L30 PolarHBondContact O-N 2.86Å; L30-Q32 PolarHBondContact O-N 2.82Å
31	L	36.3	Very low	41.5	Very low	149 Å²	149	117 Å²	117	78%	0.78	71%	0.711	S	S	*	*			trans	-59.9	92.3	152.9	-87.1	150	0	0	0	105.5	L29 A33	L29-L31 PolarHBondContact O-N 2.93Å; L31-A33 PolarHBondContact O-N 2.92Å
32	Q	33.8	Very low	44.7	Very low	164 Å²	164	112.7 Å²	112.7	77%	0.766	70%	0.697	S	S	*	*			trans	-60.1	93.3	156.1	-75.5	-169.2	-16.3	0	0	105.5	L30 V34	L30-Q32 PolarHBondContact O-N 2.82Å; Q32-V34 PolarHBondContact O-N 2.83Å
33	A	35	Very low	47.6	Very low	88 Å²	88	109.1 Å²	109.1	73%	0.727	67%	0.665	S	S	*	*			trans	-55.2	99.4	154.3	0	0	0	0	0	104.7	L31 S35	L31-A33 PolarHBondContact O-N 2.92Å; A33-S35 PolarHBondContact O-N 2.82Å
34	V	31.5	Very low	50.8	Low	104 Å²	104	109.4 Å²	109.4	63%	0.63	65%	0.649	S	S	*	*			trans	-65.2	87.3	160	-178.5	0	0	0	0	103.8	Q32 W36	Q32-V34 PolarHBondContact O-N 2.83Å; V34-W36 HydrophobicContact CG1-CG 4.47Å; V34-W36 PolarHBondContact O-N 2.85Å
35	S	29.1	Very low	53.8	Low	98 Å²	98	108.5 Å²	108.5	69%	0.685	64%	0.641	S	S	*	*			trans	-58.8	93.4	159	52.4	0	0	0	0	104.8	A33 A37	A33-S35 PolarHBondContact O-N 2.82Å; S35-A37 PolarHBondContact O-N 2.81Å
36	W	32.8	Very low	56.7	Low	229 Å²	229	103.5 Å²	103.5	87%	0.867	61%	0.612	S	S	*	*			trans	-60.1	94.6	153.8	-73.5	78.5	0	0	0	104	V34 S38	V34-W36 HydrophobicContact CG1-CG 4.47Å; V34-W36 PolarHBondContact O-N 2.85Å; W36-S38 VanDerWaalsContact C-N 3.26Å; W36-S38 PolarHBondContact O-N 2.92Å
37	A	35	Very low	59.6	Low	92 Å²	92	101.6 Å²	101.6	76%	0.76	60%	0.603	S	S	*	*			trans	-58.2	103.7	164.7	0	0	0	0	0	104.5	S35 G39	S35-A37 PolarHBondContact O-N 2.81Å; A37-G39 PolarHBondContact O-N 3.25Å
38	S	44.9	Very low	62.6	Low	94 Å²	94	103.4 Å²	103.4	66%	0.657	59%	0.592	S	S	*	*			trans	-68.2	84.3	174	58	0	0	0	0	106.7	W36	W36-S38 VanDerWaalsContact C-N 3.26Å; W36-S38 PolarHBondContact O-N 2.92Å
39	G	63.3	Low	65.3	Low	48 Å²	48	99.9 Å²	99.9	50%	0.495	59%	0.591	S	S	.	*			trans	-86	136.3	170.7	0	0	0	0	0	109.4	A37 R41	A37-G39 PolarHBondContact O-N 3.25Å; G39-R41 PolarHBondContact O-N 2.88Å
40	A	83.1	Confident	68.1	Low	50 Å²	50	101.6 Å²	101.6	41%	0.413	59%	0.588	S	S	.	*			trans	-42.4	131.7	163	0	0	0	0	0	110.9	S64 D66	A40-S64 CarbonylContact C-O 3.42Å; A40-S64 VanDerWaalsContact CA-O 3.28Å; A40-S64 WeakPolarHBondContact CA-O 3.36Å; A40-S64 WeakPolarHBondContact CB-O 3.36Å; A40-D66 PolarHBondContact N-OD1 3.36Å
41	R	95.3	Very high	70.8	Confident	80 Å²	80	99.4 Å²	99.4	30%	0.302	58%	0.584	S	S	.	*	B	Isolated β-bridge	trans	-100.8	130.6	178.3	-66.7	-172	-65.3	179.8	0.2	109.1	G39 T60 C62 D63 S64	G39-R41 PolarHBondContact O-N 2.88Å; R41-T60 PolarHBondContact NH1-O 3.45Å; R41-C62 PolarHBondContact NE-O 2.82Å; R41-C62 PolarHBondContact NH2-O 2.84Å; R41-D63 VanDerWaalsContact O-CA 3.23Å; R41-D63 WeakPolarHBondContact O-CA 3.18Å; R41-D63 VanDerWaalsContact O-CB 3.31Å; R41-D63 WeakPolarHBondContact O-CB 3.45Å; R41-S64 PolarHBondContact N-O 2.94Å; R41-S64 PolarHBondContact N-OG 3.04Å; R41-S64 PolarHBondContact O-N 2.82Å
42	P	96.5	Very high	73.7	Confident	93 Å²	93	93.3 Å²	93.3	60%	0.604	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-70.7	161.2	-175.6	28.7	-35.6	0	0	0	112.9	Y61 D63	P42-Y61 WeakPolarHBondContact CD-OH 3.35Å; P42-Y61 PolarHBondContact O-OH 3.34Å; P42-D63 VanDerWaalsContact O-CB 3.28Å; P42-D63 WeakPolarHBondContact O-CB 3.45Å
43	C	97.6	Very high	76.7	Confident	29 Å²	29	86.8 Å²	86.8	20%	0.196	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-61.8	134.1	169.4	173.9	0	0	0	0	111	P45 C55 R87	C43-P45 VanDerWaalsContact O-CD 3.24Å; C43-P45 WeakPolarHBondContact O-CD 3.28Å; C43-C55 HydrophobicContact CB-CB 3.97Å; C43-C55 WeakPolarHBondContact CB-SG 3.41Å; C43-C55 VanDerWaalsContact SG-CA 3.52Å; C43-C55 WeakPolarHBondContact SG-CB 3.46Å; C43-C55 CovalentContact SG-SG 2.03Å; C43-C55 PolarHBondContact SG-SG 3.11Å; C43-R87 HydrophobicContact CB-CB 4.16Å; C43-R87 HydrophobicContact CB-CG 3.95Å
44	I	98.4	Very high	79.7	Confident	75 Å²	75	82.9 Å²	82.9	39%	0.385	49%	0.493	S	S	.	.			trans	-91.8	101.3	162.2	-63.5	176.8	0	0	0	107.7	C55 V56 Y61	I44-C55 WeakPolarHBondContact O-CA 3.45Å; I44-V56 HydrophobicContact CG2-CB 4.4Å; I44-V56 PolarHBondContact O-N 3.01Å; I44-Y61 HydrophobicContact CD1-CD1 3.35Å; I44-Y61 HydrophobicContact CD1-CD2 4.33Å; I44-Y61 HydrophobicContact CD1-CE1 3.37Å; I44-Y61 HydrophobicContact CD1-CE2 4.31Å; I44-Y61 HydrophobicContact CD1-CG 3.86Å; I44-Y61 HydrophobicContact CG1-CD1 3.98Å; I44-Y61 HydrophobicContact CG1-CE1 3.5Å; I44-Y61 VanDerWaalsContact CG1-CE1 3.5Å
45	P	98.2	Very high	82.9	Confident	84 Å²	84	78 Å²	78	55%	0.545	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	140.6	-171.1	31.5	-36.1	0	0	0	111.8	C43 V53 V54	C43-P45 VanDerWaalsContact O-CD 3.24Å; C43-P45 WeakPolarHBondContact O-CD 3.28Å; P45-V53 HydrophobicContact CB-CB 3.97Å; P45-V53 HydrophobicContact CB-CG1 4.18Å; P45-V53 HydrophobicContact CB-CG2 3.74Å; P45-V54 CarbonylContact C-O 3.6Å; P45-V54 WeakPolarHBondContact CA-O 3.41Å
46	K	98	Very high	86.2	Confident	71 Å²	71	74.6 Å²	74.6	31%	0.309	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	128.1	169	-175.3	174.4	-179.7	177.6	0	110.8	F48 V53 V54 V56 Y396	K46-F48 HydrophobicContact CB-CE2 4.5Å; K46-F48 HydrophobicContact CD-CE2 3.87Å; K46-F48 HydrophobicContact CD-CZ 3.86Å; K46-F48 HydrophobicContact CG-CD2 4.44Å; K46-F48 HydrophobicContact CG-CE2 3.95Å; K46-F48 HydrophobicContact CG-CZ 4.36Å; K46-V53 WeakPolarHBondContact O-CA 3.43Å; K46-V54 HydrophobicContact CB-CG2 4.05Å; K46-V54 PolarHBondContact N-O 3.28Å; K46-V54 PolarHBondContact O-N 3Å; K46-V56 HydrophobicContact CB-CG2 3.49Å; K46-V56 VanDerWaalsContact CB-CG2 3.49Å; K46-V56 HydrophobicContact CD-CG2 3.88Å; K46-V56 HydrophobicContact CG-CG2 4.35Å; K46-Y396 HydrophobicContact CD-CE1 4.21Å
47	S	97.3	Very high	89.4	Confident	72 Å²	72	63.7 Å²	63.7	50%	0.503	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	143.2	172.9	-177.2	0	0	0	0	110.9	G49	S47-G49 PolarHBondContact OG-N 3.22Å
48	F	95.8	Very high	92.4	Very high	106 Å²	106	62 Å²	62	47%	0.465	38%	0.375	S	S	.	.			trans	-116.9	19.5	170.2	-72.8	-91.1	0	0	0	111.8	K46 Y50 V54 Y396	K46-F48 HydrophobicContact CB-CE2 4.5Å; K46-F48 HydrophobicContact CD-CE2 3.87Å; K46-F48 HydrophobicContact CD-CZ 3.86Å; K46-F48 HydrophobicContact CG-CD2 4.44Å; K46-F48 HydrophobicContact CG-CE2 3.95Å; K46-F48 HydrophobicContact CG-CZ 4.36Å; F48-Y50 HydrophobicContact CB-CD2 4.22Å; F48-V54 HydrophobicContact CD2-CG2 4.13Å; F48-V54 HydrophobicContact CE2-CG2 3.68Å; F48-Y396 HydrophobicContact CE2-CD1 4.37Å; F48-Y396 HydrophobicContact CE2-CE1 4.36Å; F48-Y396 HydrophobicContact CZ-CD1 4.48Å; F48-Y396 HydrophobicContact CZ-CD2 4.47Å; F48-Y396 HydrophobicContact CZ-CE1 4.08Å; F48-Y396 HydrophobicContact CZ-CE2 4.06Å; F48-Y396 AromaticContact CZ-CZ 3.86Å
49	G	94.8	Very high	94.9	Very high	73 Å²	73	59.1 Å²	59.1	75%	0.753	36%	0.357	S	S	*	.	S	Bend	trans	86.8	3.2	179.9	0	0	0	0	0	115.2	S47	S47-G49 PolarHBondContact OG-N 3.22Å
50	Y	95.5	Very high	96.5	Very high	192 Å²	192	62.4 Å²	62.4	75%	0.753	37%	0.367	S	S	*	.	S	Bend	trans	-87.8	-176.7	171.4	-64.1	-74.9	0	0	0	111.9	F48 S52	F48-Y50 HydrophobicContact CB-CD2 4.22Å; Y50-S52 PolarHBondContact O-N 3.39Å; Y50-S52 VanDerWaalsContact O-N 3.15Å
51	S	94.3	Very high	97.3	Very high	96 Å²	96	62.7 Å²	62.7	67%	0.671	36%	0.358	S	S	*	.	S	Bend	trans	-67.9	-11.3	-172.4	64.6	0	0	0	0	115.7	R83	S51-R83 WeakPolarHBondContact O-CG 3.41Å
52	S	96.9	Very high	97.4	Very high	22 Å²	22	59 Å²	59	15%	0.154	34%	0.344	C	S	.	.	S	Bend	trans	-151.5	-175.1	178.1	-159.9	0	0	0	0	111.4	Y50 R83 R87	Y50-S52 PolarHBondContact O-N 3.39Å; Y50-S52 VanDerWaalsContact O-N 3.15Å; S52-R83 WeakPolarHBondContact CB-O 3.49Å; S52-R83 PolarHBondContact OG-O 3Å; S52-R87 PolarHBondContact OG-NH2 2.88Å
53	V	97.8	Very high	97.5	Very high	26 Å²	26	54.8 Å²	54.8	16%	0.158	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	154.3	-179.3	-60.3	0	0	0	0	112	P45 K46 R87	P45-V53 HydrophobicContact CB-CB 3.97Å; P45-V53 HydrophobicContact CB-CG1 4.18Å; P45-V53 HydrophobicContact CB-CG2 3.74Å; K46-V53 WeakPolarHBondContact O-CA 3.43Å; V53-R87 PolarHBondContact O-NH2 2.92Å
54	V	98.1	Very high	97.4	Very high	7 Å²	7	54.2 Å²	54.2	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	163.4	161.7	-56.7	0	0	0	0	109.9	P45 K46 F48 Y396 K397	P45-V54 CarbonylContact C-O 3.6Å; P45-V54 WeakPolarHBondContact CA-O 3.41Å; K46-V54 HydrophobicContact CB-CG2 4.05Å; K46-V54 PolarHBondContact N-O 3.28Å; K46-V54 PolarHBondContact O-N 3Å; F48-V54 HydrophobicContact CD2-CG2 4.13Å; F48-V54 HydrophobicContact CE2-CG2 3.68Å; V54-Y396 HydrophobicContact CG2-CD1 3.81Å; V54-Y396 HydrophobicContact CG2-CG 4.09Å; V54-K397 WeakPolarHBondContact CA-O 3.48Å; V54-K397 WeakPolarHBondContact CB-O 3.49Å
55	C	98.6	Very high	97.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.7	167	-53.8	0	0	0	0	110.1	C43 I44 Y396 K397 Y402	C43-C55 HydrophobicContact CB-CB 3.97Å; C43-C55 WeakPolarHBondContact CB-SG 3.41Å; C43-C55 VanDerWaalsContact SG-CA 3.52Å; C43-C55 WeakPolarHBondContact SG-CB 3.46Å; C43-C55 CovalentContact SG-SG 2.03Å; C43-C55 PolarHBondContact SG-SG 3.11Å; I44-C55 WeakPolarHBondContact O-CA 3.45Å; C55-Y396 WeakPolarHBondContact O-CA 3.07Å; C55-K397 HydrophobicContact CB-CB 4.35Å; C55-K397 PolarHBondContact N-O 3.31Å; C55-K397 PolarHBondContact O-N 2.75Å; C55-Y402 WeakPolarHBondContact CB-OH 3.38Å; C55-Y402 VanDerWaalsContact SG-CZ 3.52Å; C55-Y402 PolarHBondContact SG-OH 2.82Å
56	V	98.6	Very high	96.5	Very high	27 Å²	27	50.7 Å²	50.7	16%	0.164	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	126.9	-177.6	-173.4	0	0	0	0	109.7	I44 K46 Y396	I44-V56 HydrophobicContact CG2-CB 4.4Å; I44-V56 PolarHBondContact O-N 3.01Å; K46-V56 HydrophobicContact CB-CG2 3.49Å; K46-V56 VanDerWaalsContact CB-CG2 3.49Å; K46-V56 HydrophobicContact CD-CG2 3.88Å; K46-V56 HydrophobicContact CG-CG2 4.35Å; V56-Y396 HydrophobicContact CB-CD1 4.48Å; V56-Y396 HydrophobicContact CG1-CD1 4.38Å; V56-Y396 HydrophobicContact CG1-CE1 4.11Å; V56-Y396 HydrophobicContact CG2-CD1 4.02Å; V56-Y396 HydrophobicContact CG2-CE1 4.03Å
57	C	98.6	Very high	95.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	150.8	171.6	-62.7	0	0	0	0	110.4	Y61 C62 T394 F395	C57-Y61 CarbonylContact C-O 3.57Å; C57-Y61 VanDerWaalsContact CA-O 3.27Å; C57-Y61 WeakPolarHBondContact CA-O 3.45Å; C57-C62 HydrophobicContact CB-CB 3.54Å; C57-C62 WeakPolarHBondContact CB-SG 3.28Å; C57-C62 WeakPolarHBondContact SG-CA 3.28Å; C57-C62 WeakPolarHBondContact SG-CB 3.3Å; C57-C62 CovalentContact SG-SG 2.05Å; C57-C62 PolarHBondContact SG-SG 2.95Å; C57-T394 CarbonylContact O-C 3.56Å; C57-T394 WeakPolarHBondContact O-CA 3.41Å; C57-T394 VanDerWaalsContact O-CB 3.32Å; C57-T394 WeakPolarHBondContact O-CB 3.29Å; C57-F395 HydrophobicContact CB-CD1 3.88Å; C57-F395 HydrophobicContact CB-CD2 3.8Å; C57-F395 HydrophobicContact CB-CE1 3.43Å; C57-F395 VanDerWaalsContact CB-CE1 3.43Å; C57-F395 HydrophobicContact CB-CE2 3.36Å; C57-F395 HydrophobicContact CB-CG 4.06Å; C57-F395 HydrophobicContact CB-CZ 3.16Å; C57-F395 PolarHBondContact N-O 3.01Å; C57-F395 PolarHBondContact O-N 3.03Å
58	N	98.3	Very high	94.9	Very high	57 Å²	57	48.8 Å²	48.8	31%	0.305	28%	0.283	S	S	.	.			trans	-143.5	-162.6	178.3	69	18.7	0	0	0	109.9	T60 Y61 L142 T394	N58-T60 VanDerWaalsContact C-N 3.29Å; N58-T60 PolarHBondContact O-N 3.16Å; N58-T60 PolarHBondContact OD1-N 3.27Å; N58-T60 PolarHBondContact OD1-OG1 2.88Å; N58-Y61 PolarHBondContact N-O 2.82Å; N58-Y61 PolarHBondContact OD1-N 2.81Å; N58-L142 WeakPolarHBondContact O-CD1 3.14Å; N58-T394 HydrophobicContact CB-CG2 3.91Å
59	A	97.9	Very high	93.8	Very high	34 Å²	34	46.4 Å²	46.4	28%	0.281	28%	0.277	S	S	.	.	S	Bend	trans	-65.3	-25.8	-178.4	0	0	0	0	0	115	P138 A139	A59-P138 HydrophobicContact CB-CB 4.2Å; A59-P138 VanDerWaalsContact O-CB 3.24Å; A59-P138 WeakPolarHBondContact O-CB 3.11Å; A59-A139 HydrophobicContact CB-CB 4.34Å
60	T	97.7	Very high	93.3	Very high	116 Å²	116	45.4 Å²	45.4	71%	0.712	25%	0.252	S	S	*	.	S	Bend	trans	-114.2	-18.5	-172.8	57.7	0	0	0	0	113.1	R41 N58	R41-T60 PolarHBondContact NH1-O 3.45Å; N58-T60 VanDerWaalsContact C-N 3.29Å; N58-T60 PolarHBondContact O-N 3.16Å; N58-T60 PolarHBondContact OD1-N 3.27Å; N58-T60 PolarHBondContact OD1-OG1 2.88Å
61	Y	98.3	Very high	93.1	Very high	56 Å²	56	36.6 Å²	36.6	22%	0.22	22%	0.219	C	C	.	.			trans	-135.7	135.4	-175.3	-165.8	-81.9	0	0	0	111.9	P42 I44 C57 N58	P42-Y61 WeakPolarHBondContact CD-OH 3.35Å; P42-Y61 PolarHBondContact O-OH 3.34Å; I44-Y61 HydrophobicContact CD1-CD1 3.35Å; I44-Y61 HydrophobicContact CD1-CD2 4.33Å; I44-Y61 HydrophobicContact CD1-CE1 3.37Å; I44-Y61 HydrophobicContact CD1-CE2 4.31Å; I44-Y61 HydrophobicContact CD1-CG 3.86Å; I44-Y61 HydrophobicContact CG1-CD1 3.98Å; I44-Y61 HydrophobicContact CG1-CE1 3.5Å; I44-Y61 VanDerWaalsContact CG1-CE1 3.5Å; C57-Y61 CarbonylContact C-O 3.57Å; C57-Y61 VanDerWaalsContact CA-O 3.27Å; C57-Y61 WeakPolarHBondContact CA-O 3.45Å; N58-Y61 PolarHBondContact N-O 2.82Å; N58-Y61 PolarHBondContact OD1-N 2.81Å
62	C	98.4	Very high	93	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.014	22%	0.215	C	C	.	.			trans	-154.2	144.1	160.8	-164.2	0	0	0	0	108.8	R41 C57 L142 F395	R41-C62 PolarHBondContact NE-O 2.82Å; R41-C62 PolarHBondContact NH2-O 2.84Å; C57-C62 HydrophobicContact CB-CB 3.54Å; C57-C62 WeakPolarHBondContact CB-SG 3.28Å; C57-C62 WeakPolarHBondContact SG-CA 3.28Å; C57-C62 WeakPolarHBondContact SG-CB 3.3Å; C57-C62 CovalentContact SG-SG 2.05Å; C57-C62 PolarHBondContact SG-SG 2.95Å; C62-L142 HydrophobicContact CB-CB 4.01Å; C62-L142 HydrophobicContact CB-CD1 4.27Å; C62-L142 HydrophobicContact CB-CD2 4.16Å; C62-L142 HydrophobicContact CB-CG 4.38Å; C62-F395 HydrophobicContact CB-CZ 4.35Å; C62-F395 WeakPolarHBondContact SG-CZ 3.47Å
63	D	97.9	Very high	92.9	Very high	6 Å²	6	39 Å²	39	3%	0.032	23%	0.231	C	C	.	.			trans	-63.8	140.6	175.7	68.4	-69.8	0	0	0	110.4	R41 P42 K397 Y402	R41-D63 VanDerWaalsContact O-CA 3.23Å; R41-D63 WeakPolarHBondContact O-CA 3.18Å; R41-D63 VanDerWaalsContact O-CB 3.31Å; R41-D63 WeakPolarHBondContact O-CB 3.45Å; P42-D63 VanDerWaalsContact O-CB 3.28Å; P42-D63 WeakPolarHBondContact O-CB 3.45Å; D63-K397 PolarHBondContact O-NZ 2.92Å; D63-K397 WeakPolarHBondContact OD1-CD 3.21Å; D63-K397 IonicContact OD1-NZ 2.75Å; D63-K397 PolarHBondContact OD1-NZ 3.29Å; D63-K397 IonicContact OD2-NZ 3.68Å; D63-K397 PolarHBondContact OD2-NZ 2.94Å; D63-Y402 PolarHBondContact OD1-OH 3.08Å; D63-Y402 PolarHBondContact OD2-OH 3.19Å
64	S	96.3	Very high	92.8	Very high	17 Å²	17	39.3 Å²	39.3	12%	0.119	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-144.3	156.5	-173.4	57.1	0	0	0	0	110	A40 R41	A40-S64 CarbonylContact C-O 3.42Å; A40-S64 VanDerWaalsContact CA-O 3.28Å; A40-S64 WeakPolarHBondContact CA-O 3.36Å; A40-S64 WeakPolarHBondContact CB-O 3.36Å; R41-S64 PolarHBondContact N-O 2.94Å; R41-S64 PolarHBondContact N-OG 3.04Å; R41-S64 PolarHBondContact O-N 2.82Å
65	F	91.7	Very high	92.8	Very high	19 Å²	19	40.9 Å²	40.9	8%	0.083	25%	0.25	C	C	.	.			trans	-113.3	153.7	-177.5	-52.3	-67	0	0	0	110.5	M88 E151 I153 Y402 K409	F65-M88 HydrophobicContact CD1-CB 4.27Å; F65-M88 HydrophobicContact CE1-CB 3.6Å; F65-M88 HydrophobicContact CE1-CG 4.39Å; F65-M88 HydrophobicContact CE1-SD 4.23Å; F65-M88 HydrophobicContact CE2-CE 4.38Å; F65-M88 HydrophobicContact CE2-SD 3.93Å; F65-M88 HydrophobicContact CZ-CB 3.97Å; F65-M88 HydrophobicContact CZ-CE 4.4Å; F65-M88 HydrophobicContact CZ-CG 4.26Å; F65-M88 HydrophobicContact CZ-SD 3.63Å; F65-E151 PolarHBondContact N-O 2.99Å; F65-E151 VanDerWaalsContact O-CA 3.25Å; F65-E151 WeakPolarHBondContact O-CA 3.22Å; F65-I153 HydrophobicContact CE2-CG2 4.1Å; F65-Y402 HydrophobicContact CZ-CD1 4.09Å; F65-Y402 AromaticContact CZ-CE1 3.91Å; F65-Y402 HydrophobicContact CZ-CE1 3.91Å; F65-K409 HydrophobicContact CD2-CD 4.38Å
66	D	86.2	Confident	92.7	Very high	65 Å²	65	41.3 Å²	41.3	35%	0.348	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-69.4	156.4	161.5	-60.1	-36.8	0	0	0	109.4	A40 K409	A40-D66 PolarHBondContact N-OD1 3.36Å; D66-K409 WeakPolarHBondContact O-CE 3.36Å; D66-K409 PolarHBondContact O-NZ 3.23Å; D66-K409 VanDerWaalsContact O-NZ 3.16Å
67	P	81.1	Confident	92.7	Very high	70 Å²	70	40 Å²	40	46%	0.455	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-52.9	149.8	169.5	-25.6	35.1	0	0	0	111.2	T69	P67-T69 PolarHBondContact O-N 2.96Å; P67-T69 VanDerWaalsContact O-N 3.13Å
68	P	79.6	Confident	92.6	Very high	34 Å²	34	42.1 Å²	42.1	22%	0.221	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-53.6	121.8	178.5	-24.2	33.5	0	0	0	111.5	K409 F410 L477	P68-K409 HydrophobicContact CG-CG 4.25Å; P68-F410 HydrophobicContact CB-CD1 4.22Å; P68-F410 HydrophobicContact CB-CE1 4.36Å; P68-F410 HydrophobicContact CG-CD1 4.25Å; P68-F410 HydrophobicContact CG-CE1 4.38Å; P68-L477 HydrophobicContact CB-CD1 4.47Å
69	T	73.8	Confident	92.6	Very high	55 Å²	55	39.7 Å²	39.7	34%	0.337	24%	0.239	S	C	.	.			trans	-98.8	114.9	179.3	46	0	0	0	0	110.2	P67 P71 S77	P67-T69 PolarHBondContact O-N 2.96Å; P67-T69 VanDerWaalsContact O-N 3.13Å; T69-P71 WeakPolarHBondContact O-CD 3.49Å; T69-S77 PolarHBondContact O-OG 2.85Å; T69-S77 VanDerWaalsContact O-OG 3.04Å
70	F	84.4	Confident	92.6	Very high	52 Å²	52	38.2 Å²	38.2	23%	0.228	23%	0.226	C	C	.	.			trans	-76.1	115	164.5	-74.3	-77.6	0	0	0	108.7	H435 L477 R479	F70-H435 AromaticContact CZ-CE1 3.6Å; F70-H435 AromaticContact CZ-ND1 3.46Å; F70-H435 WeakPolarHBondContact CZ-ND1 3.32Å; F70-L477 HydrophobicContact CE1-CB 4.32Å; F70-L477 HydrophobicContact CE1-CD2 4.32Å; F70-R479 HydrophobicContact CB-CG 4.17Å
71	P	90.1	Very high	92.6	Very high	8 Å²	8	32.9 Å²	32.9	5%	0.052	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-68.2	171.1	-178.1	34.4	-38.7	0	0	0	110.5	T69 T75 S77 M92 R479	T69-P71 WeakPolarHBondContact O-CD 3.49Å; P71-T75 HydrophobicContact CB-CG2 3.85Å; P71-T75 HydrophobicContact CG-CG2 4.44Å; P71-T75 WeakPolarHBondContact CG-O 3.47Å; P71-S77 WeakPolarHBondContact CD-OG 3.38Å; P71-M92 HydrophobicContact CB-CE 4.49Å; P71-M92 HydrophobicContact CB-SD 4.34Å; P71-R479 VanDerWaalsContact O-CD 3.3Å; P71-R479 WeakPolarHBondContact O-CD 3.4Å; P71-R479 PolarHBondContact O-NE 2.67Å; P71-R479 VanDerWaalsContact O-NE 3.14Å
72	A	93.1	Very high	92.6	Very high	72 Å²	72	30.7 Å²	30.7	60%	0.595	19%	0.186	S	C	*	.	P	Polyproline II helix	trans	-59	153.6	171.3	0	0	0	0	0	111	G74 T75	A72-G74 PolarHBondContact O-N 2.88Å; A72-T75 WeakPolarHBondContact O-CB 3.34Å; A72-T75 PolarHBondContact O-N 2.92Å
73	L	94.4	Very high	92.6	Very high	95 Å²	95	36 Å²	36	50%	0.497	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	138.7	176.3	-170.3	68.2	0	0	0	110.4	T75 V461 R479	L73-T75 VanDerWaalsContact C-N 3.32Å; L73-V461 HydrophobicContact CD1-CG1 4.44Å; L73-R479 HydrophobicContact CD1-CB 4.17Å
74	G	95.9	Very high	92.5	Very high	33 Å²	33	40.9 Å²	40.9	34%	0.34	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	2.4	-174.2	0	0	0	0	0	114.8	A72 I95	A72-G74 PolarHBondContact O-N 2.88Å; G74-I95 PolarHBondContact O-N 2.62Å
75	T	97.6	Very high	92.6	Very high	40 Å²	40	41.1 Å²	41.1	25%	0.245	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153.4	172.9	-54.8	0	0	0	0	109.9	P71 A72 L73 M92 G93	P71-T75 HydrophobicContact CB-CG2 3.85Å; P71-T75 HydrophobicContact CG-CG2 4.44Å; P71-T75 WeakPolarHBondContact CG-O 3.47Å; A72-T75 WeakPolarHBondContact O-CB 3.34Å; A72-T75 PolarHBondContact O-N 2.92Å; L73-T75 VanDerWaalsContact C-N 3.32Å; T75-M92 HydrophobicContact CG2-CB 3.97Å; T75-M92 HydrophobicContact CG2-CG 4.48Å; T75-M92 HydrophobicContact CG2-SD 4.41Å; T75-G93 CarbonylContact C-O 3.54Å; T75-G93 WeakPolarHBondContact CA-O 3.32Å; T75-G93 WeakPolarHBondContact CG2-O 2.87Å
76	F	97.3	Very high	92.8	Very high	10 Å²	10	45.2 Å²	45.2	4%	0.044	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	148	169.4	70.8	-92.1	0	0	0	111.4	R78 M92 G93 P94 I95 L464 Y476 L477 W478	F76-R78 HydrophobicContact CD2-CB 4.26Å; F76-R78 HydrophobicContact CE2-CB 4.02Å; F76-M92 CarbonylContact O-C 3.6Å; F76-M92 WeakPolarHBondContact O-CA 3.42Å; F76-G93 WeakPolarHBondContact CD1-O 3.27Å; F76-G93 VanDerWaalsContact CE1-C 3.44Å; F76-G93 WeakPolarHBondContact CE1-O 3.1Å; F76-G93 PolarHBondContact N-O 3.46Å; F76-G93 PolarHBondContact O-N 2.8Å; F76-P94 WeakPolarHBondContact CE1-O 3.49Å; F76-I95 HydrophobicContact CB-CG1 4.38Å; F76-I95 HydrophobicContact CD1-CG1 4.16Å; F76-L464 HydrophobicContact CB-CD2 3.5Å; F76-L464 HydrophobicContact CB-CG 4.05Å; F76-L464 HydrophobicContact CD1-CB 4Å; F76-L464 HydrophobicContact CD1-CD2 3.82Å; F76-L464 HydrophobicContact CD1-CG 3.56Å; F76-L464 HydrophobicContact CD2-CD2 4.06Å; F76-L464 HydrophobicContact CE1-CB 4.02Å; F76-L464 HydrophobicContact CE1-CG 4.11Å; F76-L464 HydrophobicContact CG-CB 4.47Å; F76-L464 HydrophobicContact CG-CD2 3.53Å; F76-L464 HydrophobicContact CG-CG 3.85Å; F76-Y476 AromaticContact CD2-CD1 3.84Å; F76-Y476 HydrophobicContact CD2-CD1 3.84Å; F76-Y476 HydrophobicContact CD2-CE1 4.41Å; F76-Y476 AromaticContact CE2-CD1 3.86Å; F76-Y476 HydrophobicContact CE2-CD1 3.86Å; F76-Y476 AromaticContact CE2-CE1 3.97Å; F76-Y476 HydrophobicContact CE2-CE1 3.97Å; F76-L477 CarbonylContact C-O 3.54Å; F76-L477 WeakPolarHBondContact CA-O 3.38Å; F76-W478 HydrophobicContact CB-CB 4.02Å
77	S	97.4	Very high	93.4	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	140.1	169	-69.1	0	0	0	0	108.8	T69 P71 Y476 L477	T69-S77 PolarHBondContact O-OG 2.85Å; T69-S77 VanDerWaalsContact O-OG 3.04Å; P71-S77 WeakPolarHBondContact CD-OG 3.38Å; S77-Y476 CarbonylContact O-C 3.47Å; S77-Y476 VanDerWaalsContact O-CA 3.31Å; S77-Y476 WeakPolarHBondContact O-CA 3.42Å; S77-L477 PolarHBondContact N-O 3.12Å; S77-L477 PolarHBondContact O-N 3.36Å
78	R	97.4	Very high	94.2	Very high	43 Å²	43	39.9 Å²	39.9	16%	0.162	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	121.8	177.2	179.4	-172.4	69.1	92.7	7.1	109.5	F76 E80 L90 S91 T475 Y476	F76-R78 HydrophobicContact CD2-CB 4.26Å; F76-R78 HydrophobicContact CE2-CB 4.02Å; R78-E80 IonicContact CZ-OE2 2.8Å; R78-E80 IonicContact NH1-OE1 2.83Å; R78-E80 IonicContact NH1-OE2 2.84Å; R78-E80 PolarHBondContact NH1-OE2 2.98Å; R78-E80 IonicContact NH2-OE2 2.74Å; R78-E80 PolarHBondContact NH2-OE2 3.06Å; R78-L90 CarbonylContact O-C 3.52Å; R78-L90 WeakPolarHBondContact O-CA 3.29Å; R78-S91 PolarHBondContact N-O 3.44Å; R78-S91 PolarHBondContact NE-OG 3.08Å; R78-S91 PolarHBondContact NH2-OG 3.06Å; R78-S91 PolarHBondContact O-N 3.49Å; R78-S91 PolarHBondContact O-OG 3.3Å; R78-T475 WeakPolarHBondContact CA-O 3.48Å; R78-Y476 HydrophobicContact CB-CD1 4.03Å; R78-Y476 HydrophobicContact CB-CE1 4.03Å; R78-Y476 HydrophobicContact CG-CD1 3.99Å; R78-Y476 HydrophobicContact CG-CE1 3.59Å
79	Y	97.8	Very high	94.9	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.027	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.9	170.6	-66.7	-94.5	0	0	0	109.4	M88 E89 L90 H406 F410 H474 T475 L477	Y79-M88 WeakPolarHBondContact CD1-O 3.27Å; Y79-E89 CarbonylContact C-O 3.56Å; Y79-E89 VanDerWaalsContact CA-O 3.29Å; Y79-E89 WeakPolarHBondContact CA-O 3.43Å; Y79-L90 HydrophobicContact CD1-CB 4.15Å; Y79-L90 HydrophobicContact CD1-CD1 4.41Å; Y79-L90 HydrophobicContact CD2-CD1 4.26Å; Y79-L90 HydrophobicContact CE1-CB 3.88Å; Y79-L90 HydrophobicContact CE1-CD1 4Å; Y79-L90 HydrophobicContact CE1-CG 4.34Å; Y79-L90 HydrophobicContact CE2-CD1 3.81Å; Y79-H406 PolarHBondContact O-CE1 3Å; Y79-F410 HydrophobicContact CD1-CE1 4.22Å; Y79-F410 HydrophobicContact CD1-CE2 4.47Å; Y79-F410 AromaticContact CD1-CZ 3.55Å; Y79-F410 HydrophobicContact CD1-CZ 3.55Å; Y79-F410 HydrophobicContact CD2-CD1 4.47Å; Y79-F410 AromaticContact CD2-CE1 3.58Å; Y79-F410 HydrophobicContact CD2-CE1 3.58Å; Y79-F410 HydrophobicContact CD2-CE2 4.09Å; Y79-F410 AromaticContact CD2-CZ 3.35Å; Y79-F410 HydrophobicContact CD2-CZ 3.35Å; Y79-F410 HydrophobicContact CE1-CE1 4.05Å; Y79-F410 AromaticContact CE1-CZ 3.81Å; Y79-F410 HydrophobicContact CE1-CZ 3.81Å; Y79-F410 HydrophobicContact CE2-CD1 4.32Å; Y79-F410 AromaticContact CE2-CE1 3.39Å; Y79-F410 HydrophobicContact CE2-CE1 3.39Å; Y79-F410 AromaticContact CE2-CZ 3.63Å; Y79-F410 HydrophobicContact CE2-CZ 3.63Å; Y79-F410 AromaticContact CG-CE1 3.99Å; Y79-F410 HydrophobicContact CG-CE1 3.99Å; Y79-F410 AromaticContact CG-CE2 3.95Å; Y79-F410 HydrophobicContact CG-CE2 3.95Å; Y79-F410 AromaticContact CG-CZ 3.29Å; Y79-F410 HydrophobicContact CG-CZ 3.29Å; Y79-F410 AromaticContact CZ-CE1 3.63Å; Y79-F410 AromaticContact CZ-CZ 3.84Å; Y79-H474 CarbonylContact O-C 3.59Å; Y79-H474 VanDerWaalsContact O-CA 3.22Å; Y79-H474 WeakPolarHBondContact O-CA 3.39Å; Y79-T475 PolarHBondContact N-O 3.3Å; Y79-T475 PolarHBondContact O-N 3.01Å; Y79-L477 HydrophobicContact CE2-CD1 4.05Å
80	E	98	Very high	96	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.1	-175.2	170.1	177.2	-158.4	0	0	112.7	R78 T82 R86 M88 E89 H474	R78-E80 IonicContact CZ-OE2 2.8Å; R78-E80 IonicContact NH1-OE1 2.83Å; R78-E80 IonicContact NH1-OE2 2.84Å; R78-E80 PolarHBondContact NH1-OE2 2.98Å; R78-E80 IonicContact NH2-OE2 2.74Å; R78-E80 PolarHBondContact NH2-OE2 3.06Å; E80-T82 HydrophobicContact CG-CG2 3.8Å; E80-T82 VanDerWaalsContact OE1-CG2 3.27Å; E80-T82 WeakPolarHBondContact OE1-CG2 3.32Å; E80-R86 VanDerWaalsContact CD-CD 3.44Å; E80-R86 HydrophobicContact CG-CB 4.41Å; E80-R86 IonicContact OE1-CZ 3.49Å; E80-R86 IonicContact OE1-NH1 3.83Å; E80-R86 PolarHBondContact OE1-NH1 2.96Å; E80-R86 WeakPolarHBondContact OE2-CD 3.18Å; E80-R86 IonicContact OE2-CZ 3.29Å; E80-R86 IonicContact OE2-NE 2.67Å; E80-R86 IonicContact OE2-NH1 3.54Å; E80-R86 PolarHBondContact OE2-NH1 2.88Å; E80-M88 CarbonylContact O-C 3.52Å; E80-M88 VanDerWaalsContact O-CA 3.31Å; E80-M88 WeakPolarHBondContact O-CA 3.2Å; E80-M88 PolarHBondContact O-N 3.27Å; E80-E89 PolarHBondContact N-O 2.87Å; E80-E89 PolarHBondContact O-N 2.8Å; E80-H474 WeakPolarHBondContact CG-NE2 3.45Å; E80-H474 IonicContact OE1-NE2 3.47Å; E80-H474 PolarHBondContact OE1-NE2 3.03Å
81	S	98.5	Very high	96.5	Very high	5 Å²	5	43 Å²	43	4%	0.035	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.1	162	-55.5	0	0	0	0	110.4	R86 M88 H406 S472 I473	S81-R86 VanDerWaalsContact CA-O 3.25Å; S81-R86 WeakPolarHBondContact CA-O 3.47Å; S81-M88 PolarHBondContact OG-N 3.17Å; S81-H406 WeakPolarHBondContact CB-NE2 3.22Å; S81-H406 PolarHBondContact OG-NE2 3.34Å; S81-S472 WeakPolarHBondContact O-CA 3.39Å; S81-I473 PolarHBondContact N-O 3.25Å; S81-I473 PolarHBondContact O-N 2.66Å
82	T	98.4	Very high	96.8	Very high	10 Å²	10	47.9 Å²	47.9	6%	0.061	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	155.3	179.9	65.1	0	0	0	0	111.3	E80 S84 G85 R86 R87	E80-T82 HydrophobicContact CG-CG2 3.8Å; E80-T82 VanDerWaalsContact OE1-CG2 3.27Å; E80-T82 WeakPolarHBondContact OE1-CG2 3.32Å; T82-S84 PolarHBondContact O-N 3.47Å; T82-S84 PolarHBondContact OG1-N 2.84Å; T82-S84 PolarHBondContact OG1-OG 3.07Å; T82-G85 PolarHBondContact O-N 2.82Å; T82-G85 VanDerWaalsContact O-N 3.14Å; T82-G85 PolarHBondContact OG1-N 2.89Å; T82-R86 HydrophobicContact CG2-CB 4.13Å; T82-R86 HydrophobicContact CG2-CG 4.24Å; T82-R86 PolarHBondContact N-O 2.99Å; T82-R86 VanDerWaalsContact N-O 3.1Å; T82-R86 WeakPolarHBondContact OG1-CB 3.33Å; T82-R86 PolarHBondContact OG1-N 2.99Å; T82-R86 VanDerWaalsContact OG1-N 3.14Å; T82-R87 PolarHBondContact O-NH1 2.88Å
83	R	97.6	Very high	96.9	Very high	112 Å²	112	45 Å²	45	42%	0.423	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-32	169.1	-172.5	176.2	74.1	169.4	5.1	112.5	S51 S52 G85 Y471	S51-R83 WeakPolarHBondContact O-CG 3.41Å; S52-R83 WeakPolarHBondContact CB-O 3.49Å; S52-R83 PolarHBondContact OG-O 3Å; R83-G85 VanDerWaalsContact C-N 3.27Å; R83-G85 PolarHBondContact O-N 3.4Å; R83-Y471 HydrophobicContact CB-CG 4.49Å; R83-Y471 PolarHBondContact N-O 3.47Å; R83-Y471 VanDerWaalsContact NH1-CE2 3.29Å; R83-Y471 VanDerWaalsContact NH2-CE2 3.27Å
84	S	96.9	Very high	97	Very high	109 Å²	109	44.8 Å²	44.8	76%	0.762	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-19.1	178.8	56.4	0	0	0	0	114.5	T82	T82-S84 PolarHBondContact O-N 3.47Å; T82-S84 PolarHBondContact OG1-N 2.84Å; T82-S84 PolarHBondContact OG1-OG 3.07Å
85	G	96.6	Very high	97.1	Very high	23 Å²	23	44.1 Å²	44.1	24%	0.237	24%	0.235	C	C	.	.	S	Bend	trans	135.8	-4.1	170.8	0	0	0	0	0	116.3	T82 R83 R87	T82-G85 PolarHBondContact O-N 2.82Å; T82-G85 VanDerWaalsContact O-N 3.14Å; T82-G85 PolarHBondContact OG1-N 2.89Å; R83-G85 VanDerWaalsContact C-N 3.27Å; R83-G85 PolarHBondContact O-N 3.4Å; G85-R87 WeakPolarHBondContact O-CG 3.06Å
86	R	97.9	Very high	97.1	Very high	104 Å²	104	45.8 Å²	45.8	39%	0.392	24%	0.24	S	C	.	.			trans	-63.7	141.7	173.2	-61.8	-172.5	173.7	156.6	-0.8	110.1	E80 S81 T82 E89	E80-R86 VanDerWaalsContact CD-CD 3.44Å; E80-R86 HydrophobicContact CG-CB 4.41Å; E80-R86 IonicContact OE1-CZ 3.49Å; E80-R86 IonicContact OE1-NH1 3.83Å; E80-R86 PolarHBondContact OE1-NH1 2.96Å; E80-R86 WeakPolarHBondContact OE2-CD 3.18Å; E80-R86 IonicContact OE2-CZ 3.29Å; E80-R86 IonicContact OE2-NE 2.67Å; E80-R86 IonicContact OE2-NH1 3.54Å; E80-R86 PolarHBondContact OE2-NH1 2.88Å; S81-R86 VanDerWaalsContact CA-O 3.25Å; S81-R86 WeakPolarHBondContact CA-O 3.47Å; T82-R86 HydrophobicContact CG2-CB 4.13Å; T82-R86 HydrophobicContact CG2-CG 4.24Å; T82-R86 PolarHBondContact N-O 2.99Å; T82-R86 VanDerWaalsContact N-O 3.1Å; T82-R86 WeakPolarHBondContact OG1-CB 3.33Å; T82-R86 PolarHBondContact OG1-N 2.99Å; T82-R86 VanDerWaalsContact OG1-N 3.14Å; R86-E89 HydrophobicContact CB-CG 4.26Å; R86-E89 VanDerWaalsContact CD-OE2 3.31Å; R86-E89 WeakPolarHBondContact CD-OE2 3.26Å; R86-E89 WeakPolarHBondContact CG-OE1 3.44Å; R86-E89 WeakPolarHBondContact CG-OE2 3.11Å; R86-E89 IonicContact NE-OE2 3.82Å
87	R	97.9	Very high	97	Very high	18 Å²	18	49.1 Å²	49.1	7%	0.068	27%	0.269	C	S	.	.			trans	-136.4	93.5	-175.3	-65.7	-67.9	179.7	-93.5	6.1	110.4	C43 S52 V53 T82 G85 E89 Y402	C43-R87 HydrophobicContact CB-CB 4.16Å; C43-R87 HydrophobicContact CB-CG 3.95Å; S52-R87 PolarHBondContact OG-NH2 2.88Å; V53-R87 PolarHBondContact O-NH2 2.92Å; T82-R87 PolarHBondContact O-NH1 2.88Å; G85-R87 WeakPolarHBondContact O-CG 3.06Å; R87-E89 PolarHBondContact O-N 2.88Å; R87-Y402 HydrophobicContact CB-CD1 4.02Å; R87-Y402 HydrophobicContact CB-CE1 3.91Å; R87-Y402 VanDerWaalsContact CD-CD2 3.46Å; R87-Y402 HydrophobicContact CG-CD1 4.49Å; R87-Y402 HydrophobicContact CG-CE1 4.32Å; R87-Y402 HydrophobicContact CG-CE2 4.45Å
88	M	97	Very high	96.8	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.025	30%	0.302	C	S	.	.	S	Bend	trans	46.3	44.1	-176.5	-61.4	173.6	64.7	0	0	112	F65 Y79 E80 S81 L90 I153 Y402 K409 F410	F65-M88 HydrophobicContact CD1-CB 4.27Å; F65-M88 HydrophobicContact CE1-CB 3.6Å; F65-M88 HydrophobicContact CE1-CG 4.39Å; F65-M88 HydrophobicContact CE1-SD 4.23Å; F65-M88 HydrophobicContact CE2-CE 4.38Å; F65-M88 HydrophobicContact CE2-SD 3.93Å; F65-M88 HydrophobicContact CZ-CB 3.97Å; F65-M88 HydrophobicContact CZ-CE 4.4Å; F65-M88 HydrophobicContact CZ-CG 4.26Å; F65-M88 HydrophobicContact CZ-SD 3.63Å; Y79-M88 WeakPolarHBondContact CD1-O 3.27Å; E80-M88 CarbonylContact O-C 3.52Å; E80-M88 VanDerWaalsContact O-CA 3.31Å; E80-M88 WeakPolarHBondContact O-CA 3.2Å; E80-M88 PolarHBondContact O-N 3.27Å; S81-M88 PolarHBondContact OG-N 3.17Å; M88-L90 PolarHBondContact O-N 2.93Å; M88-I153 HydrophobicContact SD-CG2 4.38Å; M88-Y402 HydrophobicContact CG-CD1 4.21Å; M88-Y402 HydrophobicContact SD-CD1 4.08Å; M88-K409 HydrophobicContact CE-CB 4.22Å; M88-K409 HydrophobicContact CE-CD 3.56Å; M88-F410 HydrophobicContact CE-CE2 3.54Å; M88-F410 HydrophobicContact CE-CZ 3.69Å
89	E	95.8	Very high	96.6	Very high	96 Å²	96	55.4 Å²	55.4	45%	0.449	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	126.1	178.2	-75.1	177.3	-163.1	0	0	109.8	Y79 E80 R86 R87	Y79-E89 CarbonylContact C-O 3.56Å; Y79-E89 VanDerWaalsContact CA-O 3.29Å; Y79-E89 WeakPolarHBondContact CA-O 3.43Å; E80-E89 PolarHBondContact N-O 2.87Å; E80-E89 PolarHBondContact O-N 2.8Å; R86-E89 HydrophobicContact CB-CG 4.26Å; R86-E89 VanDerWaalsContact CD-OE2 3.31Å; R86-E89 WeakPolarHBondContact CD-OE2 3.26Å; R86-E89 WeakPolarHBondContact CG-OE1 3.44Å; R86-E89 WeakPolarHBondContact CG-OE2 3.11Å; R86-E89 IonicContact NE-OE2 3.82Å; R87-E89 PolarHBondContact O-N 2.88Å
90	L	95.4	Very high	95.8	Very high	77 Å²	77	61.6 Å²	61.6	40%	0.403	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	135.7	178.6	175	61.7	0	0	0	110.8	R78 Y79 M88	R78-L90 CarbonylContact O-C 3.52Å; R78-L90 WeakPolarHBondContact O-CA 3.29Å; Y79-L90 HydrophobicContact CD1-CB 4.15Å; Y79-L90 HydrophobicContact CD1-CD1 4.41Å; Y79-L90 HydrophobicContact CD2-CD1 4.26Å; Y79-L90 HydrophobicContact CE1-CB 3.88Å; Y79-L90 HydrophobicContact CE1-CD1 4Å; Y79-L90 HydrophobicContact CE1-CG 4.34Å; Y79-L90 HydrophobicContact CE2-CD1 3.81Å; M88-L90 PolarHBondContact O-N 2.93Å
91	S	94.9	Very high	94.9	Very high	35 Å²	35	63.8 Å²	63.8	25%	0.245	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	165.3	166.1	58	0	0	0	0	109.6	R78	R78-S91 PolarHBondContact N-O 3.44Å; R78-S91 PolarHBondContact NE-OG 3.08Å; R78-S91 PolarHBondContact NH2-OG 3.06Å; R78-S91 PolarHBondContact O-N 3.49Å; R78-S91 PolarHBondContact O-OG 3.3Å
92	M	96.3	Very high	94.1	Very high	110 Å²	110	70.1 Å²	70.1	54%	0.542	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	155	176.7	-66.1	-179	-176.7	0	0	110.9	P71 T75 F76	P71-M92 HydrophobicContact CB-CE 4.49Å; P71-M92 HydrophobicContact CB-SD 4.34Å; T75-M92 HydrophobicContact CG2-CB 3.97Å; T75-M92 HydrophobicContact CG2-CG 4.48Å; T75-M92 HydrophobicContact CG2-SD 4.41Å; F76-M92 CarbonylContact O-C 3.6Å; F76-M92 WeakPolarHBondContact O-CA 3.42Å
93	G	95.8	Very high	93.5	Very high	12 Å²	12	71.1 Å²	71.1	12%	0.124	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	158.2	174.4	0	0	0	0	0	112.2	T75 F76	T75-G93 CarbonylContact C-O 3.54Å; T75-G93 WeakPolarHBondContact CA-O 3.32Å; T75-G93 WeakPolarHBondContact CG2-O 2.87Å; F76-G93 WeakPolarHBondContact CD1-O 3.27Å; F76-G93 VanDerWaalsContact CE1-C 3.44Å; F76-G93 WeakPolarHBondContact CE1-O 3.1Å; F76-G93 PolarHBondContact N-O 3.46Å; F76-G93 PolarHBondContact O-N 2.8Å
94	P	97.6	Very high	93.3	Very high	89 Å²	89	66.1 Å²	66.1	58%	0.578	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	150.9	179.1	32	-35	0	0	0	111.7	F76	F76-P94 WeakPolarHBondContact CE1-O 3.49Å
95	I	97.9	Very high	93.4	Very high	20 Å²	20	62.6 Å²	62.6	10%	0.103	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-94.7	119.4	167.8	-57.7	176.5	0	0	0	107.6	G74 F76 V461 L464 W478	G74-I95 PolarHBondContact O-N 2.62Å; F76-I95 HydrophobicContact CB-CG1 4.38Å; F76-I95 HydrophobicContact CD1-CG1 4.16Å; I95-V461 HydrophobicContact CD1-CB 4.48Å; I95-V461 HydrophobicContact CD1-CG2 4.05Å; I95-V461 HydrophobicContact CG2-CB 4.32Å; I95-V461 HydrophobicContact CG2-CG2 4.16Å; I95-V461 VanDerWaalsContact CG2-O 3.28Å; I95-V461 WeakPolarHBondContact CG2-O 3.44Å; I95-L464 HydrophobicContact CD1-CD1 4.19Å; I95-L464 HydrophobicContact CG1-CD1 3.96Å; I95-L464 HydrophobicContact CG1-CG 4.11Å; I95-L464 HydrophobicContact CG2-CD1 4.12Å; I95-W478 HydrophobicContact CD1-CB 3.88Å; I95-W478 HydrophobicContact CD1-CG 4.06Å
96	Q	97.1	Very high	93.4	Very high	75 Å²	75	61.8 Å²	61.8	35%	0.35	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-88.1	146.5	-178.1	-60.4	-174.5	26.7	0	0	111.3	G462 F463 E465	Q96-G462 CarbonylContact O-C 3.56Å; Q96-G462 WeakPolarHBondContact O-CA 3.25Å; Q96-F463 PolarHBondContact N-O 2.99Å; Q96-F463 PolarHBondContact O-N 3.43Å; Q96-E465 PolarHBondContact NE2-OE2 2.74Å
97	A	95.2	Very high	93.5	Very high	80 Å²	80	58.5 Å²	58.5	66%	0.661	35%	0.353	S	S	*	.	S	Bend	trans	-75	-32.2	176.6	0	0	0	0	0	113	F463	A97-F463 WeakPolarHBondContact O-CE2 3.38Å
98	N	92.9	Very high	93.5	Very high	129 Å²	129	57.7 Å²	57.7	69%	0.69	35%	0.35	S	S	*	.			trans	-121.5	154.8	-177.3	-65.2	-38.2	0	0	0	109.9
99	H	92.2	Very high	93.5	Very high	45 Å²	45	59.5 Å²	59.5	21%	0.208	36%	0.359	C	S	.	.			trans	-137	131	172.3	172.3	67.3	0	0	0	109.4	T455 F463 E465	H99-T455 PolarHBondContact CE1-OG1 2.91Å; H99-T455 VanDerWaalsContact CE1-OG1 3.25Å; H99-F463 HydrophobicContact CB-CB 4.1Å; H99-F463 HydrophobicContact CB-CD1 3.41Å; H99-F463 VanDerWaalsContact CB-CD1 3.41Å; H99-F463 HydrophobicContact CB-CD2 3.88Å; H99-F463 HydrophobicContact CB-CE1 3.63Å; H99-F463 HydrophobicContact CB-CE2 4.11Å; H99-F463 HydrophobicContact CB-CG 3.53Å; H99-F463 HydrophobicContact CB-CZ 3.99Å; H99-E465 IonicContact CE1-OE1 3.73Å; H99-E465 IonicContact ND1-OE1 3.7Å; H99-E465 PolarHBondContact ND1-OE1 3.46Å
100	T	82	Confident	93.5	Very high	138 Å²	138	55.7 Å²	55.7	85%	0.847	34%	0.342	S	S	*	.			trans	-128.3	90.6	175.5	54	0	0	0	0	108.1
101	G	79.8	Confident	93.6	Very high	48 Å²	48	58.2 Å²	58.2	50%	0.495	35%	0.352	S	S	.	.			trans	-162.4	158.4	-178.5	0	0	0	0	0	112.7
102	T	81.3	Confident	93.7	Very high	138 Å²	138	60.7 Å²	60.7	85%	0.847	36%	0.359	S	S	*	.			trans	-106.3	7.9	175.4	55.1	0	0	0	0	112.4
103	G	84.4	Confident	93.6	Very high	31 Å²	31	62 Å²	62	32%	0.32	36%	0.362	S	S	.	.	S	Bend	trans	-68.3	173.3	177	0	0	0	0	0	112.8	L105	G103-L105 PolarHBondContact O-N 2.71Å
104	L	95.3	Very high	93.5	Very high	6 Å²	6	65.4 Å²	65.4	3%	0.031	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	123.4	177.1	175.4	62.6	0	0	0	110.3	L106 A422 Q424 N426 V452 L454 T455	L104-L106 HydrophobicContact CD1-CD2 4.19Å; L104-L106 HydrophobicContact CD2-CD2 4.28Å; L104-L106 HydrophobicContact CG-CD2 4.14Å; L104-A422 HydrophobicContact CD1-CB 4.09Å; L104-Q424 HydrophobicContact CD1-CG 3.84Å; L104-N426 HydrophobicContact CD1-CB 3.85Å; L104-N426 HydrophobicContact CD2-CB 3.64Å; L104-N426 HydrophobicContact CG-CB 4.35Å; L104-V452 HydrophobicContact CB-CG1 4.47Å; L104-V452 HydrophobicContact CD2-CG1 4.13Å; L104-L454 HydrophobicContact CB-CB 4.37Å; L104-L454 HydrophobicContact CD2-CB 4.42Å; L104-L454 CarbonylContact O-C 3.55Å; L104-L454 VanDerWaalsContact O-CA 3.28Å; L104-L454 WeakPolarHBondContact O-CA 3.32Å; L104-T455 PolarHBondContact O-N 3.25Å
105	L	97.4	Very high	93	Very high	36 Å²	36	65.4 Å²	65.4	19%	0.188	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.3	176.3	-178.9	69.4	0	0	0	109.6	G103 A422 S423 T455 K457 F463	G103-L105 PolarHBondContact O-N 2.71Å; L105-A422 CarbonylContact O-C 3.56Å; L105-A422 WeakPolarHBondContact O-CA 3.34Å; L105-S423 PolarHBondContact N-OG 2.91Å; L105-S423 PolarHBondContact O-N 3.23Å; L105-T455 CarbonylContact C-O 3.45Å; L105-T455 WeakPolarHBondContact CA-O 3.47Å; L105-T455 HydrophobicContact CD1-CG2 3.76Å; L105-K457 HydrophobicContact CD1-CB 3.96Å; L105-F463 HydrophobicContact CD1-CD1 4.28Å; L105-F463 HydrophobicContact CD1-CE1 4.41Å
106	L	97.9	Very high	92.7	Very high	6 Å²	6	71.5 Å²	71.5	3%	0.031	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.1	173.1	-56.5	-177.5	0	0	0	108.7	L104 L420 V421 A422 A430 V444 L454 T455 I456 K457	L104-L106 HydrophobicContact CD1-CD2 4.19Å; L104-L106 HydrophobicContact CD2-CD2 4.28Å; L104-L106 HydrophobicContact CG-CD2 4.14Å; L106-L420 HydrophobicContact CB-CD1 3.95Å; L106-L420 HydrophobicContact CB-CG 4.26Å; L106-L420 HydrophobicContact CD1-CD2 4.4Å; L106-V421 CarbonylContact C-O 3.55Å; L106-V421 WeakPolarHBondContact CA-O 3.2Å; L106-A422 HydrophobicContact CD2-CB 3.76Å; L106-A430 HydrophobicContact CD1-CB 3.94Å; L106-V444 HydrophobicContact CD1-CG2 4.36Å; L106-L454 HydrophobicContact CD1-CD1 4.28Å; L106-T455 PolarHBondContact N-O 2.93Å; L106-I456 HydrophobicContact CB-CG1 4.47Å; L106-I456 CarbonylContact O-C 3.53Å; L106-I456 WeakPolarHBondContact O-CA 3.12Å; L106-K457 PolarHBondContact O-N 3.25Å
107	T	98.3	Very high	92.5	Very high	34 Å²	34	68.7 Å²	68.7	21%	0.209	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.4	-177.8	-58.3	0	0	0	0	110.9	L420 V421 K457	T107-L420 WeakPolarHBondContact O-CA 3.34Å; T107-V421 PolarHBondContact N-O 3.22Å; T107-V421 PolarHBondContact O-N 3.17Å; T107-K457 HydrophobicContact CG2-CB 4.44Å; T107-K457 HydrophobicContact CG2-CD 4.08Å; T107-K457 HydrophobicContact CG2-CG 4.42Å
108	L	98.3	Very high	92.4	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	137.1	174.3	-168.2	67.2	0	0	0	110.4	P110 V418 L420 A432 M434 P440 K457 D458 P459 W478	L108-P110 HydrophobicContact CD2-CG 4.03Å; L108-P110 HydrophobicContact CG-CG 4.02Å; L108-P110 WeakPolarHBondContact O-CD 3.33Å; L108-V418 HydrophobicContact CD1-CG2 3.62Å; L108-V418 HydrophobicContact CG-CG2 4.43Å; L108-L420 HydrophobicContact CD1-CD1 4.4Å; L108-A432 HydrophobicContact CD1-CB 3.24Å; L108-M434 HydrophobicContact CD2-SD 4.35Å; L108-P440 HydrophobicContact CD2-CB 4.09Å; L108-K457 WeakPolarHBondContact CB-O 3.19Å; L108-K457 PolarHBondContact N-O 3.15Å; L108-D458 HydrophobicContact CD2-CB 4.41Å; L108-P459 WeakPolarHBondContact O-CD 3.45Å; L108-W478 HydrophobicContact CD2-CZ2 4.01Å
109	Q	98	Very high	92.4	Very high	44 Å²	44	62.4 Å²	62.4	21%	0.206	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	77.6	175.7	-69.7	178.9	-35.5	0	0	109.7	E111 Q112 G419	Q109-E111 WeakPolarHBondContact CB-OE1 3.48Å; Q109-E111 PolarHBondContact O-N 2.8Å; Q109-E111 VanDerWaalsContact O-N 3.16Å; Q109-Q112 HydrophobicContact CB-CB 4.19Å; Q109-Q112 HydrophobicContact CB-CG 4.08Å; Q109-Q112 VanDerWaalsContact CD-NE2 3.26Å; Q109-Q112 PolarHBondContact O-N 2.87Å; Q109-Q112 VanDerWaalsContact OE1-OE1 3.12Å; Q109-G419 PolarHBondContact N-O 3.17Å; Q109-G419 PolarHBondContact O-N 2.97Å
110	P	95.3	Very high	92.5	Very high	16 Å²	16	61.6 Å²	61.6	10%	0.104	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	-25.6	-174	-22.3	33	0	0	0	114.4	L108	L108-P110 HydrophobicContact CD2-CG 4.03Å; L108-P110 HydrophobicContact CG-CG 4.02Å; L108-P110 WeakPolarHBondContact O-CD 3.33Å
111	E	96.8	Very high	93.1	Very high	130 Å²	130	56.5 Å²	56.5	61%	0.607	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	-26.4	176.7	66.9	-69.7	160.7	0	0	113.3	Q109 K113	Q109-E111 WeakPolarHBondContact CB-OE1 3.48Å; Q109-E111 PolarHBondContact O-N 2.8Å; Q109-E111 VanDerWaalsContact O-N 3.16Å; E111-K113 PolarHBondContact O-N 2.61Å; E111-K113 VanDerWaalsContact O-N 3.11Å
112	Q	97.1	Very high	93.7	Very high	86 Å²	86	55.9 Å²	55.9	40%	0.402	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	87.7	176.8	-66.3	-169.8	21.3	0	0	110.5	Q109 F114 V418 G419	Q109-Q112 HydrophobicContact CB-CB 4.19Å; Q109-Q112 HydrophobicContact CB-CG 4.08Å; Q109-Q112 VanDerWaalsContact CD-NE2 3.26Å; Q109-Q112 PolarHBondContact O-N 2.87Å; Q109-Q112 VanDerWaalsContact OE1-OE1 3.12Å; Q112-F114 HydrophobicContact CB-CE2 4.49Å; Q112-F114 WeakPolarHBondContact O-CE2 3.29Å; Q112-V418 CarbonylContact O-C 3.54Å; Q112-V418 WeakPolarHBondContact O-CA 3.25Å; Q112-G419 PolarHBondContact O-N 2.79Å
113	K	94.3	Very high	94.4	Very high	137 Å²	137	51.6 Å²	51.6	60%	0.596	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	138.4	-174.3	-68.5	176.6	177.4	-174.9	0	112.6	E111 Q416 V418	E111-K113 PolarHBondContact O-N 2.61Å; E111-K113 VanDerWaalsContact O-N 3.11Å; K113-Q416 HydrophobicContact CB-CG 4.44Å; K113-V418 HydrophobicContact CG-CG1 4.48Å
114	F	94.3	Very high	95.1	Very high	85 Å²	85	50.5 Å²	50.5	37%	0.373	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-144.2	175.6	-53.4	-84.2	0	0	0	111.2	Q112 Q416 R417	Q112-F114 HydrophobicContact CB-CE2 4.49Å; Q112-F114 WeakPolarHBondContact O-CE2 3.29Å; F114-Q416 PolarHBondContact O-NE2 3.17Å; F114-R417 HydrophobicContact CB-CB 4.18Å; F114-R417 HydrophobicContact CD2-CG 4.25Å; F114-R417 VanDerWaalsContact CD2-NE 3.28Å; F114-R417 VanDerWaalsContact CE1-NH2 3.27Å; F114-R417 PolarHBondContact N-O 3.44Å
115	Q	86.9	Confident	95.2	Very high	88 Å²	88	50.8 Å²	50.8	41%	0.411	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	150.8	-177.4	75.4	-79	11.9	0	0	113	R417	Q115-R417 PolarHBondContact O-N 3.36Å
116	K	91.6	Very high	95.2	Very high	148 Å²	148	49.2 Å²	49.2	64%	0.643	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	147.2	164.4	-66.2	-172.5	177.5	-175	0	110.4	S415 Q416	K116-S415 CarbonylContact C-O 3.45Å; K116-S415 WeakPolarHBondContact CA-O 3.2Å; K116-Q416 HydrophobicContact CG-CB 4.36Å; K116-Q416 HydrophobicContact CG-CG 4.43Å
117	V	92.3	Very high	95.1	Very high	16 Å²	16	49.8 Å²	49.8	10%	0.097	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-90.1	128.2	-179.4	178	0	0	0	0	109.7	F120 I411 G414 S415 L433	V117-F120 HydrophobicContact CG1-CE2 3.73Å; V117-F120 HydrophobicContact CG1-CZ 4.08Å; V117-I411 HydrophobicContact CB-CG2 4.2Å; V117-I411 HydrophobicContact CG1-CG2 4.04Å; V117-I411 HydrophobicContact CG2-CG2 4.03Å; V117-G414 PolarHBondContact O-N 2.86Å; V117-S415 PolarHBondContact N-O 3.42Å; V117-L433 HydrophobicContact CG2-CD2 3.56Å
118	K	93.2	Very high	95	Very high	60 Å²	60	49.1 Å²	49.1	26%	0.261	26%	0.264	S	S	.	.			trans	-80.4	-44	172.2	178.1	59.1	-172.2	165.9	0	111.8	N156 I157 S212 W267 E413	K118-N156 PolarHBondContact O-ND2 2.97Å; K118-I157 HydrophobicContact CG-CD1 4.29Å; K118-S212 WeakPolarHBondContact CE-OG 3.26Å; K118-S212 PolarHBondContact NZ-OG 3.27Å; K118-W267 HydrophobicContact CD-CZ2 4.09Å; K118-W267 HydrophobicContact CG-CH2 3.87Å; K118-W267 HydrophobicContact CG-CZ2 3.76Å; K118-W267 HydrophobicContact CG-CZ3 4.36Å; K118-E413 WeakPolarHBondContact CD-OE1 3.47Å; K118-E413 IonicContact NZ-OE1 3.88Å; K118-E413 PolarHBondContact NZ-OE1 3.41Å; K118-E413 IonicContact NZ-OE2 2.72Å; K118-E413 PolarHBondContact NZ-OE2 3.18Å; K118-E413 WeakPolarHBondContact O-CB 3.38Å; K118-E413 WeakPolarHBondContact O-CG 3.46Å
119	G	92.7	Very high	95	Very high	17 Å²	17	49.1 Å²	49.1	18%	0.175	26%	0.263	C	S	.	.			trans	159.3	-172.1	-178.8	0	0	0	0	0	115.3	N156 I157	G119-N156 WeakPolarHBondContact CA-OD1 3.43Å; G119-I157 VanDerWaalsContact C-CD1 3.48Å
120	F	95.9	Very high	95	Very high	28 Å²	28	49.8 Å²	49.8	12%	0.123	27%	0.268	C	S	.	.			trans	-139.9	148.1	-179.8	-56.3	-91.5	0	0	0	109.5	V117 N156 I157 L358 F407 I411	V117-F120 HydrophobicContact CG1-CE2 3.73Å; V117-F120 HydrophobicContact CG1-CZ 4.08Å; F120-N156 PolarHBondContact N-OD1 2.87Å; F120-N156 PolarHBondContact O-N 3.5Å; F120-N156 PolarHBondContact O-OD1 3.44Å; F120-I157 PolarHBondContact O-N 2.99Å; F120-I157 VanDerWaalsContact O-N 3.12Å; F120-L358 HydrophobicContact CE1-CD1 3.82Å; F120-L358 HydrophobicContact CZ-CD1 3.68Å; F120-F407 HydrophobicContact CD1-CB 4.21Å; F120-F407 HydrophobicContact CE1-CB 3.75Å; F120-F407 HydrophobicContact CE1-CG 4.48Å; F120-F407 HydrophobicContact CE2-CB 4.38Å; F120-F407 HydrophobicContact CZ-CB 3.84Å; F120-I411 HydrophobicContact CE2-CB 3.85Å; F120-I411 HydrophobicContact CE2-CG2 3.95Å; F120-I411 HydrophobicContact CZ-CB 4.38Å; F120-I411 HydrophobicContact CZ-CD1 4.27Å; F120-I411 HydrophobicContact CZ-CG2 4.38Å
121	G	94.3	Very high	95.1	Very high	31 Å²	31	51.6 Å²	51.6	32%	0.32	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173	-167.4	-170.7	0	0	0	0	0	115	I157	G121-I157 WeakPolarHBondContact CA-O 3.27Å
122	G	92.4	Very high	95.2	Very high	36 Å²	36	46.1 Å²	46.1	37%	0.371	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	-178.5	176.7	0	0	0	0	0	111.8	I157 I158 R159	G122-I157 PolarHBondContact N-O 2.69Å; G122-I158 CarbonylContact O-C 3.49Å; G122-I158 WeakPolarHBondContact O-CA 3.18Å; G122-R159 PolarHBondContact O-N 3.47Å
123	A	96.1	Very high	95.3	Very high	47 Å²	47	44.7 Å²	44.7	39%	0.388	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.5	178.4	0	0	0	0	0	111.6	T125 R159	A123-T125 HydrophobicContact CB-CG2 4.01Å; A123-T125 PolarHBondContact O-N 3.19Å; A123-R159 CarbonylContact C-O 3.51Å; A123-R159 WeakPolarHBondContact CA-O 3.17Å; A123-R159 HydrophobicContact CB-CB 4.14Å
124	M	98.2	Very high	95.4	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.039	23%	0.232	C	C	.	.			trans	-92.2	73.8	169	-170.5	64.9	67.6	0	0	109.1	A129 I158 R159 P161 K196 L199 I200	M124-A129 HydrophobicContact SD-CB 4.22Å; M124-I158 HydrophobicContact CB-CG2 3.71Å; M124-R159 PolarHBondContact N-O 2.9Å; M124-P161 VanDerWaalsContact O-CD 3.29Å; M124-P161 WeakPolarHBondContact O-CD 3.39Å; M124-K196 HydrophobicContact CG-CB 4.25Å; M124-K196 HydrophobicContact CG-CG 4.18Å; M124-L199 HydrophobicContact CE-CB 3.94Å; M124-L199 HydrophobicContact SD-CB 4.08Å; M124-L199 HydrophobicContact SD-CD1 3.9Å; M124-I200 HydrophobicContact CB-CG1 4.43Å; M124-I200 HydrophobicContact CG-CD1 4.45Å; M124-I200 HydrophobicContact CG-CG1 4.15Å
125	T	97.6	Very high	95.6	Very high	13 Å²	13	36 Å²	36	8%	0.08	22%	0.216	C	C	.	.			trans	-76.5	166.3	174.1	62.2	0	0	0	0	111.2	A123 A127 A128 A129 P161 F167	A123-T125 HydrophobicContact CB-CG2 4.01Å; A123-T125 PolarHBondContact O-N 3.19Å; T125-A127 VanDerWaalsContact C-N 3.29Å; T125-A127 PolarHBondContact O-N 2.78Å; T125-A128 PolarHBondContact O-N 3.13Å; T125-A128 WeakPolarHBondContact OG1-CB 3.08Å; T125-A128 PolarHBondContact OG1-N 3.14Å; T125-A128 VanDerWaalsContact OG1-N 3.1Å; T125-A129 WeakPolarHBondContact O-CB 3.29Å; T125-A129 PolarHBondContact O-N 3.16Å; T125-P161 HydrophobicContact CG2-CG 4.02Å; T125-F167 HydrophobicContact CG2-CB 4.11Å
126	D	97.4	Very high	96.1	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.011	21%	0.207	C	C	.	.	H	α-helix	trans	-57.7	-44.9	173.6	-62.2	-10.1	0	0	0	110.4	A128 A129 L130 S168 Y172 K196	D126-A128 PolarHBondContact O-N 2.78Å; D126-A129 PolarHBondContact O-N 2.81Å; D126-L130 WeakPolarHBondContact O-CB 3.3Å; D126-L130 WeakPolarHBondContact O-CG 3.34Å; D126-L130 PolarHBondContact O-N 3.19Å; D126-S168 VanDerWaalsContact OD2-CB 3.23Å; D126-S168 WeakPolarHBondContact OD2-CB 3.39Å; D126-S168 PolarHBondContact OD2-OG 3.13Å; D126-Y172 PolarHBondContact OD1-OH 2.84Å; D126-Y172 WeakPolarHBondContact OD2-CE1 3.5Å; D126-Y172 PolarHBondContact OD2-OH 3.29Å; D126-K196 WeakPolarHBondContact OD1-CD 3.44Å
127	A	96.1	Very high	96.4	Very high	19 Å²	19	30.4 Å²	30.4	16%	0.157	20%	0.203	C	C	.	.	H	α-helix	trans	-60	-44.2	176.2	0	0	0	0	0	112.8	T125 A129 L130 N131 F167	T125-A127 VanDerWaalsContact C-N 3.29Å; T125-A127 PolarHBondContact O-N 2.78Å; A127-A129 VanDerWaalsContact C-N 3.35Å; A127-L130 PolarHBondContact O-N 2.7Å; A127-N131 WeakPolarHBondContact O-CB 3.29Å; A127-N131 PolarHBondContact O-N 2.79Å; A127-N131 PolarHBondContact O-ND2 3.13Å; A127-F167 HydrophobicContact CB-CB 4Å; A127-F167 HydrophobicContact CB-CD1 4.27Å; A127-F167 VanDerWaalsContact CB-O 3.25Å; A127-F167 WeakPolarHBondContact CB-O 3.36Å; A127-F167 PolarHBondContact N-O 3.49Å
128	A	96.8	Very high	96.7	Very high	20 Å²	20	32.7 Å²	32.7	17%	0.165	22%	0.218	C	C	.	.	H	α-helix	trans	-62.2	-45.8	177.2	0	0	0	0	0	110.7	T125 D126 N131 I132	T125-A128 PolarHBondContact O-N 3.13Å; T125-A128 WeakPolarHBondContact OG1-CB 3.08Å; T125-A128 PolarHBondContact OG1-N 3.14Å; T125-A128 VanDerWaalsContact OG1-N 3.1Å; D126-A128 PolarHBondContact O-N 2.78Å; A128-N131 PolarHBondContact O-N 2.81Å; A128-I132 WeakPolarHBondContact O-CB 3.31Å; A128-I132 WeakPolarHBondContact O-CD1 3.35Å; A128-I132 WeakPolarHBondContact O-CG1 3.46Å; A128-I132 PolarHBondContact O-N 3.46Å
129	A	98.3	Very high	97	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-45.5	179.2	0	0	0	0	0	112.2	M124 T125 D126 A127 I132 L133 L195 K196 L199	M124-A129 HydrophobicContact SD-CB 4.22Å; T125-A129 WeakPolarHBondContact O-CB 3.29Å; T125-A129 PolarHBondContact O-N 3.16Å; D126-A129 PolarHBondContact O-N 2.81Å; A127-A129 VanDerWaalsContact C-N 3.35Å; A129-I132 PolarHBondContact O-N 2.8Å; A129-L133 WeakPolarHBondContact O-CB 3.41Å; A129-L133 VanDerWaalsContact O-CG 3.3Å; A129-L133 WeakPolarHBondContact O-CG 3.42Å; A129-L133 PolarHBondContact O-N 2.61Å; A129-L195 HydrophobicContact CB-CB 3.8Å; A129-K196 HydrophobicContact CB-CG 4.4Å; A129-L199 VanDerWaalsContact CA-CD1 3.5Å; A129-L199 HydrophobicContact CB-CD1 3.65Å
130	L	98.1	Very high	97.2	Very high	58 Å²	58	29.9 Å²	29.9	30%	0.304	20%	0.201	S	C	.	.	H	α-helix	trans	-59.6	-47.6	176.3	-74	167.5	0	0	0	111.8	D126 A127 L133 A134 I169 L195	D126-L130 WeakPolarHBondContact O-CB 3.3Å; D126-L130 WeakPolarHBondContact O-CG 3.34Å; D126-L130 PolarHBondContact O-N 3.19Å; A127-L130 PolarHBondContact O-N 2.7Å; L130-L133 PolarHBondContact O-N 3.26Å; L130-A134 WeakPolarHBondContact O-CB 3.23Å; L130-A134 PolarHBondContact O-N 2.85Å; L130-I169 HydrophobicContact CD1-CD1 3.97Å; L130-I169 HydrophobicContact CD1-CG1 4.17Å; L130-I169 HydrophobicContact CD1-CG2 3.86Å; L130-L195 HydrophobicContact CD2-CD1 3.68Å; L130-L195 HydrophobicContact CG-CD1 3.97Å
131	N	97.6	Very high	97.4	Very high	54 Å²	54	31.9 Å²	31.9	29%	0.289	21%	0.213	S	C	.	.	H	α-helix	trans	-65.2	-41.4	179.7	-79.8	-63.8	0	0	0	112.2	A127 A128 A134 V388	A127-N131 WeakPolarHBondContact O-CB 3.29Å; A127-N131 PolarHBondContact O-N 2.79Å; A127-N131 PolarHBondContact O-ND2 3.13Å; A128-N131 PolarHBondContact O-N 2.81Å; N131-A134 PolarHBondContact O-N 2.93Å; N131-V388 HydrophobicContact CB-CB 4.24Å; N131-V388 HydrophobicContact CB-CG2 4.16Å
132	I	98.2	Very high	97.6	Very high	16 Å²	16	31.6 Å²	31.6	8%	0.082	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-52.3	175.2	-67.2	166.4	0	0	0	109.2	A128 A129 A134 L135 Q140 L143 L144 L199	A128-I132 WeakPolarHBondContact O-CB 3.31Å; A128-I132 WeakPolarHBondContact O-CD1 3.35Å; A128-I132 WeakPolarHBondContact O-CG1 3.46Å; A128-I132 PolarHBondContact O-N 3.46Å; A129-I132 PolarHBondContact O-N 2.8Å; I132-A134 PolarHBondContact O-N 2.79Å; I132-L135 WeakPolarHBondContact O-CB 3.4Å; I132-L135 PolarHBondContact O-N 3.26Å; I132-Q140 HydrophobicContact CG2-CB 4.35Å; I132-Q140 HydrophobicContact CG2-CG 4.24Å; I132-Q140 WeakPolarHBondContact O-CG 3.5Å; I132-L143 HydrophobicContact CD1-CD2 3.89Å; I132-L143 HydrophobicContact CG1-CD1 4.08Å; I132-L143 HydrophobicContact CG1-CD2 3.8Å; I132-L144 HydrophobicContact CD1-CD2 4.44Å; I132-L199 HydrophobicContact CB-CD1 4.26Å; I132-L199 HydrophobicContact CD1-CD1 4.45Å; I132-L199 HydrophobicContact CG2-CD1 4.3Å; I132-L199 HydrophobicContact CG2-CD2 3.81Å
133	L	98.3	Very high	97.9	Very high	55 Å²	55	30 Å²	30	29%	0.288	19%	0.187	S	C	.	.	H	α-helix	trans	-67.1	-19.2	-175.4	-70	166.2	0	0	0	113.9	A129 L130 L135 Q140 L195 L199	A129-L133 WeakPolarHBondContact O-CB 3.41Å; A129-L133 VanDerWaalsContact O-CG 3.3Å; A129-L133 WeakPolarHBondContact O-CG 3.42Å; A129-L133 PolarHBondContact O-N 2.61Å; L130-L133 PolarHBondContact O-N 3.26Å; L133-L135 VanDerWaalsContact C-N 3.26Å; L133-L135 PolarHBondContact O-N 3.02Å; L133-Q140 PolarHBondContact O-NE2 3.13Å; L133-Q140 VanDerWaalsContact O-NE2 3.15Å; L133-L195 HydrophobicContact CD1-CB 3.92Å; L133-L195 HydrophobicContact CD1-CD2 3.52Å; L133-L195 HydrophobicContact CD1-CG 4.32Å; L133-L199 HydrophobicContact CD1-CD1 4.08Å; L133-L199 HydrophobicContact CD1-CG 4.37Å; L133-L199 HydrophobicContact CD2-CD2 3.99Å; L133-L199 HydrophobicContact CD2-CG 4.3Å; L133-L199 HydrophobicContact CG-CD1 4.02Å; L133-L199 HydrophobicContact CG-CD2 4.29Å; L133-L199 HydrophobicContact CG-CG 4.29Å
134	A	97.7	Very high	98	Very high	36 Å²	36	27.8 Å²	27.8	30%	0.298	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-16.2	171.9	0	0	0	0	0	113.9	L130 N131 I132 I390	L130-A134 WeakPolarHBondContact O-CB 3.23Å; L130-A134 PolarHBondContact O-N 2.85Å; N131-A134 PolarHBondContact O-N 2.93Å; I132-A134 PolarHBondContact O-N 2.79Å; A134-I390 HydrophobicContact CB-CD1 3.71Å; A134-I390 HydrophobicContact CB-CG1 3.83Å; A134-I390 HydrophobicContact CB-CG2 4.02Å
135	L	97.8	Very high	98	Very high	5 Å²	5	31 Å²	31	3%	0.026	18%	0.183	C	C	.	.	S	Bend	trans	-75.4	161.3	171	-69.8	171.8	0	0	0	111.4	I132 L133 A139 Q140 L143 V388 F395	I132-L135 WeakPolarHBondContact O-CB 3.4Å; I132-L135 PolarHBondContact O-N 3.26Å; L133-L135 VanDerWaalsContact C-N 3.26Å; L133-L135 PolarHBondContact O-N 3.02Å; L135-A139 HydrophobicContact CB-CB 3.98Å; L135-A139 HydrophobicContact CD1-CB 4.35Å; L135-A139 HydrophobicContact CD2-CB 4.34Å; L135-A139 HydrophobicContact CG-CB 4.48Å; L135-Q140 HydrophobicContact CB-CG 3.89Å; L135-Q140 PolarHBondContact O-NE2 3.33Å; L135-L143 HydrophobicContact CD1-CD1 3.73Å; L135-V388 HydrophobicContact CD1-CG1 4.16Å; L135-V388 HydrophobicContact CD1-CG2 4.16Å; L135-V388 HydrophobicContact CD2-CG1 3.72Å; L135-V388 HydrophobicContact CG-CG1 3.75Å; L135-F395 HydrophobicContact CD1-CB 4.42Å; L135-F395 HydrophobicContact CD1-CD1 3.92Å
136	S	97.9	Very high	98.1	Very high	32 Å²	32	30.7 Å²	30.7	22%	0.224	18%	0.181	C	C	.	.			trans	-65.7	151.7	169.6	65.8	0	0	0	0	111.2	P138 A139 Q140	S136-P138 VanDerWaalsContact C-CD 3.46Å; S136-P138 VanDerWaalsContact C-N 3.33Å; S136-P138 VanDerWaalsContact O-N 3.17Å; S136-A139 PolarHBondContact O-N 3.5Å; S136-Q140 WeakPolarHBondContact O-CG 3.28Å; S136-Q140 PolarHBondContact O-N 2.98Å
137	P	98.2	Very high	98.1	Very high	86 Å²	86	32.2 Å²	32.2	56%	0.558	19%	0.186	S	C	*	.	H	α-helix	trans	-52.4	-39	-177.2	-25.9	32.9	0	0	0	115.3	Q140 N141	P137-Q140 WeakPolarHBondContact O-CB 3.29Å; P137-Q140 PolarHBondContact O-N 3.41Å; P137-N141 PolarHBondContact O-N 3.38Å; P137-N141 VanDerWaalsContact O-N 3.08Å; P137-N141 PolarHBondContact O-ND2 3.21Å
138	P	98.3	Very high	98.2	Very high	64 Å²	64	31.9 Å²	31.9	42%	0.416	18%	0.181	S	C	.	.	H	α-helix	trans	-64.5	-41.9	173.7	-23.4	35.7	0	0	0	113.4	A59 S136 N141 L142	A59-P138 HydrophobicContact CB-CB 4.2Å; A59-P138 VanDerWaalsContact O-CB 3.24Å; A59-P138 WeakPolarHBondContact O-CB 3.11Å; S136-P138 VanDerWaalsContact C-CD 3.46Å; S136-P138 VanDerWaalsContact C-N 3.33Å; S136-P138 VanDerWaalsContact O-N 3.17Å; P138-N141 PolarHBondContact O-N 3.39Å; P138-L142 PolarHBondContact O-N 2.83Å
139	A	98.3	Very high	98.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.8	-38.9	177.3	0	0	0	0	0	111.6	A59 L135 S136 N141 L142 L143	A59-A139 HydrophobicContact CB-CB 4.34Å; L135-A139 HydrophobicContact CB-CB 3.98Å; L135-A139 HydrophobicContact CD1-CB 4.35Å; L135-A139 HydrophobicContact CD2-CB 4.34Å; L135-A139 HydrophobicContact CG-CB 4.48Å; S136-A139 PolarHBondContact O-N 3.5Å; A139-N141 VanDerWaalsContact C-N 3.32Å; A139-N141 PolarHBondContact O-N 3.35Å; A139-L142 PolarHBondContact O-N 2.94Å; A139-L143 WeakPolarHBondContact O-CB 3.45Å; A139-L143 PolarHBondContact O-N 2.89Å
140	Q	98.6	Very high	98.1	Very high	17 Å²	17	32.5 Å²	32.5	8%	0.079	18%	0.182	C	C	.	.	H	α-helix	trans	-56.2	-46.7	171.7	-66.4	176	17.5	0	0	111.4	I132 L133 L135 S136 P137 L142 L143 L144	I132-Q140 HydrophobicContact CG2-CB 4.35Å; I132-Q140 HydrophobicContact CG2-CG 4.24Å; I132-Q140 WeakPolarHBondContact O-CG 3.5Å; L133-Q140 PolarHBondContact O-NE2 3.13Å; L133-Q140 VanDerWaalsContact O-NE2 3.15Å; L135-Q140 HydrophobicContact CB-CG 3.89Å; L135-Q140 PolarHBondContact O-NE2 3.33Å; S136-Q140 WeakPolarHBondContact O-CG 3.28Å; S136-Q140 PolarHBondContact O-N 2.98Å; P137-Q140 WeakPolarHBondContact O-CB 3.29Å; P137-Q140 PolarHBondContact O-N 3.41Å; Q140-L142 PolarHBondContact O-N 2.96Å; Q140-L143 PolarHBondContact O-N 3.34Å; Q140-L144 WeakPolarHBondContact O-CG 3.33Å; Q140-L144 PolarHBondContact O-N 2.77Å
141	N	98.6	Very high	98	Very high	70 Å²	70	34 Å²	34	37%	0.374	19%	0.187	S	C	.	.	H	α-helix	trans	-63.2	-41.7	179	-74	-22.2	0	0	0	111.9	P137 P138 A139 L143 L144 K145 R202	P137-N141 PolarHBondContact O-N 3.38Å; P137-N141 VanDerWaalsContact O-N 3.08Å; P137-N141 PolarHBondContact O-ND2 3.21Å; P138-N141 PolarHBondContact O-N 3.39Å; A139-N141 VanDerWaalsContact C-N 3.32Å; A139-N141 PolarHBondContact O-N 3.35Å; N141-L143 VanDerWaalsContact C-N 3.34Å; N141-L144 PolarHBondContact O-N 3.18Å; N141-K145 VanDerWaalsContact O-CB 3.27Å; N141-K145 WeakPolarHBondContact O-CB 3.31Å; N141-K145 VanDerWaalsContact O-CG 3.29Å; N141-K145 WeakPolarHBondContact O-CG 3.48Å; N141-K145 PolarHBondContact O-N 2.85Å; N141-R202 PolarHBondContact OD1-NH2 2.92Å
142	L	98.7	Very high	98	Very high	25 Å²	25	31.5 Å²	31.5	13%	0.131	18%	0.175	C	C	.	.	H	α-helix	trans	-65.8	-36.8	176.6	-71.4	170.1	0	0	0	112.3	N58 C62 P138 A139 Q140 S146 F395	N58-L142 WeakPolarHBondContact O-CD1 3.14Å; C62-L142 HydrophobicContact CB-CB 4.01Å; C62-L142 HydrophobicContact CB-CD1 4.27Å; C62-L142 HydrophobicContact CB-CD2 4.16Å; C62-L142 HydrophobicContact CB-CG 4.38Å; P138-L142 PolarHBondContact O-N 2.83Å; A139-L142 PolarHBondContact O-N 2.94Å; Q140-L142 PolarHBondContact O-N 2.96Å; L142-S146 WeakPolarHBondContact O-CB 3.45Å; L142-S146 PolarHBondContact O-N 2.94Å; L142-S146 PolarHBondContact O-OG 3.46Å; L142-F395 HydrophobicContact CB-CE1 4.32Å; L142-F395 HydrophobicContact CB-CZ 4.2Å
143	L	98.8	Very high	98	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-49.9	174.3	-172.7	159.7	0	0	0	111.1	I132 L135 A139 Q140 N141 K145 S146 Y147 I386 V388 F395	I132-L143 HydrophobicContact CD1-CD2 3.89Å; I132-L143 HydrophobicContact CG1-CD1 4.08Å; I132-L143 HydrophobicContact CG1-CD2 3.8Å; L135-L143 HydrophobicContact CD1-CD1 3.73Å; A139-L143 WeakPolarHBondContact O-CB 3.45Å; A139-L143 PolarHBondContact O-N 2.89Å; Q140-L143 PolarHBondContact O-N 3.34Å; N141-L143 VanDerWaalsContact C-N 3.34Å; L143-K145 PolarHBondContact O-N 3.29Å; L143-S146 VanDerWaalsContact O-CB 3.31Å; L143-S146 WeakPolarHBondContact O-CB 3.44Å; L143-S146 PolarHBondContact O-N 3.26Å; L143-Y147 HydrophobicContact CD2-CD2 4.18Å; L143-Y147 HydrophobicContact CD2-CE2 4.24Å; L143-Y147 PolarHBondContact O-N 2.99Å; L143-I386 HydrophobicContact CD1-CG2 3.96Å; L143-I386 HydrophobicContact CG-CD1 4.17Å; L143-I386 HydrophobicContact CG-CG2 4.35Å; L143-V388 HydrophobicContact CD1-CG2 4.03Å; L143-F395 HydrophobicContact CB-CD1 4.26Å; L143-F395 HydrophobicContact CB-CE1 3.87Å; L143-F395 HydrophobicContact CB-CE2 4.13Å; L143-F395 HydrophobicContact CB-CZ 3.78Å; L143-F395 HydrophobicContact CD1-CB 4.35Å; L143-F395 HydrophobicContact CD1-CD1 4.33Å; L143-F395 HydrophobicContact CD1-CD2 4.33Å; L143-F395 HydrophobicContact CD1-CG 4.1Å; L143-F395 HydrophobicContact CG-CD2 4.38Å; L143-F395 HydrophobicContact CG-CE2 4.33Å; L143-F395 HydrophobicContact CG-CZ 4.46Å
144	L	98.8	Very high	97.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-63.6	-41.9	178.4	-67.3	175.4	0	0	0	111.7	I132 Q140 N141 S146 Y147 F148 L199 R202 L206	I132-L144 HydrophobicContact CD1-CD2 4.44Å; Q140-L144 WeakPolarHBondContact O-CG 3.33Å; Q140-L144 PolarHBondContact O-N 2.77Å; N141-L144 PolarHBondContact O-N 3.18Å; L144-S146 VanDerWaalsContact C-N 3.29Å; L144-S146 PolarHBondContact O-N 2.99Å; L144-Y147 PolarHBondContact O-N 3.32Å; L144-F148 HydrophobicContact CD2-CD2 4.42Å; L144-F148 HydrophobicContact CD2-CE2 4.25Å; L144-F148 WeakPolarHBondContact O-CD2 3.42Å; L144-F148 PolarHBondContact O-N 3.28Å; L144-L199 HydrophobicContact CD1-CD2 4.17Å; L144-R202 HydrophobicContact CD1-CB 3.82Å; L144-L206 HydrophobicContact CB-CD1 3.54Å
145	K	98.4	Very high	97.9	Very high	76 Å²	76	26.8 Å²	26.8	33%	0.33	15%	0.145	S	C	.	.	H	α-helix	trans	-57	-43.8	173.1	-81.9	-174.9	171.1	-157.9	0	111.4	N141 L143 Y147 F148 S149 L206	N141-K145 VanDerWaalsContact O-CB 3.27Å; N141-K145 WeakPolarHBondContact O-CB 3.31Å; N141-K145 VanDerWaalsContact O-CG 3.29Å; N141-K145 WeakPolarHBondContact O-CG 3.48Å; N141-K145 PolarHBondContact O-N 2.85Å; L143-K145 PolarHBondContact O-N 3.29Å; K145-Y147 PolarHBondContact O-N 3.45Å; K145-F148 PolarHBondContact O-N 3.15Å; K145-S149 PolarHBondContact O-N 2.99Å; K145-S149 PolarHBondContact O-OG 2.92Å; K145-L206 HydrophobicContact CG-CD1 4.15Å; K145-L206 HydrophobicContact CG-CD2 3.87Å
146	S	98.6	Very high	98	Very high	6 Å²	6	26.9 Å²	26.9	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-53.4	-41.3	179.2	-62.5	0	0	0	0	111.9	L142 L143 L144 G152 I153 F401	L142-S146 WeakPolarHBondContact O-CB 3.45Å; L142-S146 PolarHBondContact O-N 2.94Å; L142-S146 PolarHBondContact O-OG 3.46Å; L143-S146 VanDerWaalsContact O-CB 3.31Å; L143-S146 WeakPolarHBondContact O-CB 3.44Å; L143-S146 PolarHBondContact O-N 3.26Å; L144-S146 VanDerWaalsContact C-N 3.29Å; L144-S146 PolarHBondContact O-N 2.99Å; S146-G152 CarbonylContact O-C 3.54Å; S146-G152 VanDerWaalsContact O-CA 3.22Å; S146-G152 WeakPolarHBondContact O-CA 3.46Å; S146-I153 WeakPolarHBondContact O-CG1 3.47Å; S146-I153 PolarHBondContact O-N 2.72Å; S146-F401 VanDerWaalsContact O-CZ 3.29Å; S146-F401 WeakPolarHBondContact O-CZ 3.46Å
147	Y	98.6	Very high	98	Very high	33 Å²	33	26.6 Å²	26.6	13%	0.129	14%	0.141	C	C	.	.	H	α-helix	trans	-81.2	-50.2	177.3	-76.3	-58.5	0	0	0	113.8	L143 L144 K145 I153 G154 Y155 I386 F401	L143-Y147 HydrophobicContact CD2-CD2 4.18Å; L143-Y147 HydrophobicContact CD2-CE2 4.24Å; L143-Y147 PolarHBondContact O-N 2.99Å; L144-Y147 PolarHBondContact O-N 3.32Å; K145-Y147 PolarHBondContact O-N 3.45Å; Y147-I153 HydrophobicContact CD1-CD1 3.99Å; Y147-I153 HydrophobicContact CD1-CG1 4.32Å; Y147-I153 HydrophobicContact CE1-CD1 4.34Å; Y147-G154 PolarHBondContact O-N 3.2Å; Y147-G154 VanDerWaalsContact O-N 3.1Å; Y147-Y155 AromaticContact CD1-CD2 3.7Å; Y147-Y155 HydrophobicContact CD1-CD2 3.7Å; Y147-Y155 HydrophobicContact CD1-CE1 4.25Å; Y147-Y155 AromaticContact CD1-CE2 3.38Å; Y147-Y155 HydrophobicContact CD1-CE2 3.38Å; Y147-Y155 HydrophobicContact CD1-CG 4.27Å; Y147-Y155 AromaticContact CD1-CZ 3.68Å; Y147-Y155 HydrophobicContact CE1-CD2 4.47Å; Y147-Y155 AromaticContact CE1-CE2 3.72Å; Y147-Y155 HydrophobicContact CE1-CE2 3.72Å; Y147-Y155 AromaticContact CE1-CZ 3.86Å; Y147-Y155 HydrophobicContact CG-CD2 4.14Å; Y147-Y155 HydrophobicContact CG-CE2 4.18Å; Y147-Y155 WeakPolarHBondContact O-CB 3.35Å; Y147-Y155 PolarHBondContact O-N 3.19Å; Y147-I386 HydrophobicContact CD2-CD1 4.1Å; Y147-I386 HydrophobicContact CE1-CD1 4.38Å; Y147-I386 HydrophobicContact CE2-CB 4.42Å; Y147-I386 HydrophobicContact CE2-CD1 3.42Å; Y147-I386 VanDerWaalsContact CE2-CD1 3.42Å; Y147-I386 HydrophobicContact CE2-CG1 4.04Å; Y147-I386 WeakPolarHBondContact OH-CG1 3.38Å; Y147-F401 HydrophobicContact CD1-CD2 4.12Å; Y147-F401 AromaticContact CD1-CE2 3.74Å; Y147-F401 HydrophobicContact CD1-CE2 3.74Å; Y147-F401 AromaticContact CE1-CD2 3.58Å; Y147-F401 HydrophobicContact CE1-CD2 3.58Å; Y147-F401 AromaticContact CE1-CE2 3.69Å; Y147-F401 HydrophobicContact CE1-CE2 3.69Å; Y147-F401 HydrophobicContact CG-CE2 4.38Å
148	F	98.3	Very high	98	Very high	12 Å²	12	22.6 Å²	22.6	5%	0.053	12%	0.115	C	C	.	.	H	α-helix	trans	-102.8	-22.3	-159.6	-64.6	-73.4	0	0	0	115	L144 K145 Y155 I158 A203 A207	L144-F148 HydrophobicContact CD2-CD2 4.42Å; L144-F148 HydrophobicContact CD2-CE2 4.25Å; L144-F148 WeakPolarHBondContact O-CD2 3.42Å; L144-F148 PolarHBondContact O-N 3.28Å; K145-F148 PolarHBondContact O-N 3.15Å; F148-Y155 HydrophobicContact CE1-CD2 4.45Å; F148-I158 HydrophobicContact CE1-CD1 3.66Å; F148-I158 HydrophobicContact CE1-CG1 3.58Å; F148-I158 HydrophobicContact CZ-CD1 3.71Å; F148-I158 HydrophobicContact CZ-CG1 3.76Å; F148-A203 HydrophobicContact CD1-CB 4.12Å; F148-A203 HydrophobicContact CD2-CB 3.47Å; F148-A203 VanDerWaalsContact CD2-CB 3.47Å; F148-A203 HydrophobicContact CE1-CB 4.15Å; F148-A203 HydrophobicContact CE2-CB 3.51Å; F148-A203 HydrophobicContact CG-CB 3.8Å; F148-A203 HydrophobicContact CZ-CB 3.86Å; F148-A207 HydrophobicContact CB-CB 4.39Å; F148-A207 WeakPolarHBondContact O-CA 3.29Å
149	S	97.3	Very high	98	Very high	10 Å²	10	21.3 Å²	21.3	7%	0.07	10%	0.102	C	C	.	.	S	Bend	trans	-84	163.4	-178.5	78.4	0	0	0	0	112.5	K145 E151 G152 G154	K145-S149 PolarHBondContact O-N 2.99Å; K145-S149 PolarHBondContact O-OG 2.92Å; S149-E151 PolarHBondContact O-N 2.82Å; S149-E151 PolarHBondContact OG-N 3.49Å; S149-G152 CarbonylContact O-C 3.41Å; S149-G152 WeakPolarHBondContact O-CA 3.38Å; S149-G152 PolarHBondContact O-N 3.48Å; S149-G152 PolarHBondContact OG-N 2.7Å; S149-G154 PolarHBondContact O-N 3.46Å
150	E	94.9	Very high	98	Very high	24 Å²	24	21.3 Å²	21.3	11%	0.112	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.7	171.2	-67.9	-57.7	139.7	0	0	112.7	G152 Q208 R209 K409	E150-G152 PolarHBondContact O-N 2.79Å; E150-Q208 HydrophobicContact CG-CB 4.05Å; E150-Q208 HydrophobicContact CG-CG 4.08Å; E150-R209 WeakPolarHBondContact OE1-CG 3.48Å; E150-R209 IonicContact OE1-CZ 3.84Å; E150-R209 IonicContact OE1-NE 2.69Å; E150-R209 PolarHBondContact OE1-NE 2.91Å; E150-R209 IonicContact OE1-NH2 3.52Å; E150-R209 IonicContact OE2-CZ 3.82Å; E150-R209 IonicContact OE2-NE 3.44Å; E150-R209 IonicContact OE2-NH2 3.71Å; E150-R209 PolarHBondContact OE2-NH2 3.04Å; E150-K409 PolarHBondContact O-NZ 3.42Å
151	E	96.2	Very high	98	Very high	88 Å²	88	20.5 Å²	20.5	41%	0.411	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-12.5	169.8	-65.9	164.9	-145.8	0	0	112.3	F65 S149	F65-E151 PolarHBondContact N-O 2.99Å; F65-E151 VanDerWaalsContact O-CA 3.25Å; F65-E151 WeakPolarHBondContact O-CA 3.22Å; S149-E151 PolarHBondContact O-N 2.82Å; S149-E151 PolarHBondContact OG-N 3.49Å
152	G	97.6	Very high	98	Very high	2 Å²	2	17.3 Å²	17.3	2%	0.021	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-141.1	173.1	0	0	0	0	0	111.9	S146 S149 E150 K409	S146-G152 CarbonylContact O-C 3.54Å; S146-G152 VanDerWaalsContact O-CA 3.22Å; S146-G152 WeakPolarHBondContact O-CA 3.46Å; S149-G152 CarbonylContact O-C 3.41Å; S149-G152 WeakPolarHBondContact O-CA 3.38Å; S149-G152 PolarHBondContact O-N 3.48Å; S149-G152 PolarHBondContact OG-N 2.7Å; E150-G152 PolarHBondContact O-N 2.79Å; G152-K409 WeakPolarHBondContact O-CD 3.17Å; G152-K409 PolarHBondContact O-NZ 2.97Å
153	I	97.8	Very high	98	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	8.7	-178.6	67.1	170.8	0	0	0	114.4	F65 M88 S146 Y147 Y155 F401 S408 K409	F65-I153 HydrophobicContact CE2-CG2 4.1Å; M88-I153 HydrophobicContact SD-CG2 4.38Å; S146-I153 WeakPolarHBondContact O-CG1 3.47Å; S146-I153 PolarHBondContact O-N 2.72Å; Y147-I153 HydrophobicContact CD1-CD1 3.99Å; Y147-I153 HydrophobicContact CD1-CG1 4.32Å; Y147-I153 HydrophobicContact CE1-CD1 4.34Å; I153-Y155 HydrophobicContact CD1-CD1 3.88Å; I153-Y155 HydrophobicContact CD1-CE1 3.33Å; I153-Y155 HydrophobicContact CG1-CD1 3.87Å; I153-Y155 HydrophobicContact CG1-CE1 3.87Å; I153-Y155 PolarHBondContact O-N 2.98Å; I153-F401 HydrophobicContact CB-CZ 4.28Å; I153-F401 HydrophobicContact CD1-CD2 3.93Å; I153-F401 HydrophobicContact CD1-CE1 4.3Å; I153-F401 HydrophobicContact CD1-CE2 3.6Å; I153-F401 HydrophobicContact CD1-CG 4.42Å; I153-F401 HydrophobicContact CD1-CZ 3.8Å; I153-F401 HydrophobicContact CG1-CE2 3.96Å; I153-F401 HydrophobicContact CG1-CZ 3.83Å; I153-F401 HydrophobicContact CG2-CD1 4.39Å; I153-F401 HydrophobicContact CG2-CE1 3.51Å; I153-F401 HydrophobicContact CG2-CE2 4.45Å; I153-F401 HydrophobicContact CG2-CZ 3.55Å; I153-S408 CarbonylContact O-C 3.41Å; I153-S408 VanDerWaalsContact O-CB 3.32Å; I153-S408 WeakPolarHBondContact O-CB 3.48Å; I153-S408 PolarHBondContact O-OG 3.21Å; I153-K409 VanDerWaalsContact O-CA 3.32Å; I153-K409 WeakPolarHBondContact O-CA 3.39Å; I153-K409 PolarHBondContact O-N 3.46Å
154	G	97.3	Very high	98	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.01	8%	0.075	C	C	.	.			trans	59.4	42.9	167	0	0	0	0	0	115.9	Y147 S149 R209	Y147-G154 PolarHBondContact O-N 3.2Å; Y147-G154 VanDerWaalsContact O-N 3.1Å; S149-G154 PolarHBondContact O-N 3.46Å; G154-R209 PolarHBondContact O-NH1 3.12Å
155	Y	98.1	Very high	97.8	Very high	8 Å²	8	16.1 Å²	16.1	3%	0.031	8%	0.075	C	C	.	.			trans	-55.9	138.2	171.7	-85.9	15.2	0	0	0	111.5	Y147 F148 I153 L404	Y147-Y155 AromaticContact CD1-CD2 3.7Å; Y147-Y155 HydrophobicContact CD1-CD2 3.7Å; Y147-Y155 HydrophobicContact CD1-CE1 4.25Å; Y147-Y155 AromaticContact CD1-CE2 3.38Å; Y147-Y155 HydrophobicContact CD1-CE2 3.38Å; Y147-Y155 HydrophobicContact CD1-CG 4.27Å; Y147-Y155 AromaticContact CD1-CZ 3.68Å; Y147-Y155 HydrophobicContact CE1-CD2 4.47Å; Y147-Y155 AromaticContact CE1-CE2 3.72Å; Y147-Y155 HydrophobicContact CE1-CE2 3.72Å; Y147-Y155 AromaticContact CE1-CZ 3.86Å; Y147-Y155 HydrophobicContact CG-CD2 4.14Å; Y147-Y155 HydrophobicContact CG-CE2 4.18Å; Y147-Y155 WeakPolarHBondContact O-CB 3.35Å; Y147-Y155 PolarHBondContact O-N 3.19Å; F148-Y155 HydrophobicContact CE1-CD2 4.45Å; I153-Y155 HydrophobicContact CD1-CD1 3.88Å; I153-Y155 HydrophobicContact CD1-CE1 3.33Å; I153-Y155 HydrophobicContact CG1-CD1 3.87Å; I153-Y155 HydrophobicContact CG1-CE1 3.87Å; I153-Y155 PolarHBondContact O-N 2.98Å; Y155-L404 WeakPolarHBondContact OH-CD1 3.36Å
156	N	97.9	Very high	97.5	Very high	6 Å²	6	14.7 Å²	14.7	3%	0.032	7%	0.071	C	C	.	.			trans	-131	12.9	178.5	79.6	-44.7	0	0	0	113	K118 G119 F120 R209 V211 S212	K118-N156 PolarHBondContact O-ND2 2.97Å; G119-N156 WeakPolarHBondContact CA-OD1 3.43Å; F120-N156 PolarHBondContact N-OD1 2.87Å; F120-N156 PolarHBondContact O-N 3.5Å; F120-N156 PolarHBondContact O-OD1 3.44Å; N156-R209 HydrophobicContact CB-CB 4.36Å; N156-V211 CarbonylContact O-C 3.07Å; N156-V211 WeakPolarHBondContact O-CA 3.48Å; N156-S212 PolarHBondContact O-N 3.16Å
157	I	98.1	Very high	97.2	Very high	26 Å²	26	17 Å²	17	13%	0.133	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	137.2	172.1	-59.9	179.2	0	0	0	109.9	K118 G119 F120 G121 G122 S212	K118-I157 HydrophobicContact CG-CD1 4.29Å; G119-I157 VanDerWaalsContact C-CD1 3.48Å; F120-I157 PolarHBondContact O-N 2.99Å; F120-I157 VanDerWaalsContact O-N 3.12Å; G121-I157 WeakPolarHBondContact CA-O 3.27Å; G122-I157 PolarHBondContact N-O 2.69Å; I157-S212 VanDerWaalsContact CA-O 3.31Å; I157-S212 WeakPolarHBondContact CA-O 3.31Å
158	I	98.3	Very high	97	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.015	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	119.1	167.8	-56.7	173.5	0	0	0	108.4	G122 M124 F148 V160 I200 A203 V211 S212 L213 L214	G122-I158 CarbonylContact O-C 3.49Å; G122-I158 WeakPolarHBondContact O-CA 3.18Å; M124-I158 HydrophobicContact CB-CG2 3.71Å; F148-I158 HydrophobicContact CE1-CD1 3.66Å; F148-I158 HydrophobicContact CE1-CG1 3.58Å; F148-I158 HydrophobicContact CZ-CD1 3.71Å; F148-I158 HydrophobicContact CZ-CG1 3.76Å; I158-V160 HydrophobicContact CG2-CG2 4.1Å; I158-I200 HydrophobicContact CD1-CG2 4.42Å; I158-I200 HydrophobicContact CG2-CG1 4.44Å; I158-A203 HydrophobicContact CD1-CB 3.94Å; I158-V211 HydrophobicContact CD1-CG1 3.92Å; I158-V211 HydrophobicContact CG1-CG1 3.82Å; I158-S212 PolarHBondContact N-O 2.7Å; I158-L213 HydrophobicContact CB-CD2 3.8Å; I158-L213 HydrophobicContact CD1-CD2 4.2Å; I158-L213 HydrophobicContact CG1-CD2 4.36Å; I158-L213 WeakPolarHBondContact O-CA 3.4Å; I158-L214 PolarHBondContact O-N 3.01Å
159	R	98.4	Very high	96.8	Very high	37 Å²	37	22.4 Å²	22.4	14%	0.14	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129.7	169.9	-172.9	174.3	-178.8	-114.1	12.4	109.9	G122 A123 M124 L214 S216 N273 D321	G122-R159 PolarHBondContact O-N 3.47Å; A123-R159 CarbonylContact C-O 3.51Å; A123-R159 WeakPolarHBondContact CA-O 3.17Å; A123-R159 HydrophobicContact CB-CB 4.14Å; M124-R159 PolarHBondContact N-O 2.9Å; R159-L214 CarbonylContact C-O 3.57Å; R159-L214 WeakPolarHBondContact CA-O 3.09Å; R159-L214 HydrophobicContact CG-CD2 4.27Å; R159-L214 HydrophobicContact CG-CG 4.32Å; R159-S216 PolarHBondContact NE-OG 3.15Å; R159-S216 PolarHBondContact NH2-OG 3.19Å; R159-S216 VanDerWaalsContact NH2-OG 3.12Å; R159-N273 PolarHBondContact NH2-OD1 3.32Å; R159-D321 IonicContact CZ-OD2 3.64Å; R159-D321 IonicContact NH2-OD1 2.81Å; R159-D321 IonicContact NH2-OD2 2.68Å; R159-D321 PolarHBondContact NH2-OD2 2.95Å
160	V	98.6	Very high	96.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.6	-175.6	-173.4	0	0	0	0	109	I158 M162 I200 L214 A215 S216 Y259 F266	I158-V160 HydrophobicContact CG2-CG2 4.1Å; V160-M162 PolarHBondContact O-N 3.4Å; V160-I200 HydrophobicContact CG1-CD1 4.35Å; V160-I200 HydrophobicContact CG2-CD1 3.74Å; V160-L214 PolarHBondContact N-O 3.4Å; V160-A215 WeakPolarHBondContact O-CA 3.39Å; V160-S216 PolarHBondContact O-N 2.96Å; V160-Y259 HydrophobicContact CG1-CE1 4.11Å; V160-F266 HydrophobicContact CB-CE1 4.06Å; V160-F266 HydrophobicContact CB-CZ 4.32Å; V160-F266 HydrophobicContact CG2-CE1 4.1Å; V160-F266 HydrophobicContact CG2-CZ 4.41Å
161	P	98.6	Very high	96.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	134.7	169.8	-22.5	33.5	0	0	0	112.9	M124 T125 A163 K196 W218	M124-P161 VanDerWaalsContact O-CD 3.29Å; M124-P161 WeakPolarHBondContact O-CD 3.39Å; T125-P161 HydrophobicContact CG2-CG 4.02Å; P161-A163 PolarHBondContact O-N 3.15Å; P161-K196 PolarHBondContact O-NZ 3.2Å; P161-W218 VanDerWaalsContact CA-CZ3 3.43Å; P161-W218 HydrophobicContact CB-CE3 3.86Å; P161-W218 HydrophobicContact CB-CH2 3.76Å; P161-W218 HydrophobicContact CB-CZ3 3.28Å; P161-W218 HydrophobicContact CG-CH2 3.55Å; P161-W218 HydrophobicContact CG-CZ3 3.64Å
162	M	98.8	Very high	96.9	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	102.5	167.8	-57.9	172.8	64.5	0	0	107.5	V160 Y174 A215 S216 P217 Y251 I252 F255	V160-M162 PolarHBondContact O-N 3.4Å; M162-Y174 HydrophobicContact CB-CE2 4.18Å; M162-A215 HydrophobicContact CG-CB 3.95Å; M162-A215 HydrophobicContact SD-CB 4.13Å; M162-S216 PolarHBondContact N-O 3.45Å; M162-P217 HydrophobicContact CB-CB 4.06Å; M162-P217 HydrophobicContact SD-CB 4.04Å; M162-P217 HydrophobicContact SD-CG 4.07Å; M162-Y251 HydrophobicContact CE-CD1 4.44Å; M162-Y251 HydrophobicContact CE-CE1 4.37Å; M162-I252 HydrophobicContact CE-CB 4.12Å; M162-I252 HydrophobicContact CE-CG1 3.8Å; M162-I252 HydrophobicContact CE-CG2 4.15Å; M162-F255 HydrophobicContact CB-CD2 4.44Å; M162-F255 HydrophobicContact CB-CE2 4.39Å; M162-F255 HydrophobicContact CE-CB 3.61Å; M162-F255 HydrophobicContact CE-CD1 3.54Å; M162-F255 HydrophobicContact CE-CD2 4.29Å; M162-F255 HydrophobicContact CE-CE1 4.29Å; M162-F255 HydrophobicContact CE-CG 3.54Å; M162-F255 HydrophobicContact CG-CD1 4.01Å; M162-F255 HydrophobicContact CG-CD2 4.12Å; M162-F255 HydrophobicContact CG-CE1 3.84Å; M162-F255 HydrophobicContact CG-CE2 3.89Å; M162-F255 HydrophobicContact CG-CG 4.14Å; M162-F255 HydrophobicContact CG-CZ 3.75Å; M162-F255 HydrophobicContact SD-CD1 4.05Å; M162-F255 HydrophobicContact SD-CE1 4.22Å; M162-F255 HydrophobicContact SD-CG 4.45Å
163	A	98.7	Very high	97	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	13%	0.134	C	C	.	.	S	Bend	trans	64.2	-147.2	-170.2	0	0	0	0	0	113.5	P161 Y172 Y174	P161-A163 PolarHBondContact O-N 3.15Å; A163-Y172 HydrophobicContact CB-CD2 3.9Å; A163-Y172 HydrophobicContact CB-CE2 3.72Å; A163-Y172 WeakPolarHBondContact CB-O 3.46Å; A163-Y174 HydrophobicContact CB-CD1 4.07Å; A163-Y174 HydrophobicContact CB-CD2 4.35Å; A163-Y174 HydrophobicContact CB-CE1 3.79Å; A163-Y174 HydrophobicContact CB-CE2 4.07Å; A163-Y174 HydrophobicContact CB-CG 4.35Å; A163-Y174 PolarHBondContact N-OH 2.92Å
164	S	98.2	Very high	97	Very high	2 Å²	2	27 Å²	27	1%	0.014	14%	0.135	C	C	.	.			trans	-77.9	150.9	-172.5	67.4	0	0	0	0	114.6	S168 R170 Y172 Q286	S164-S168 WeakPolarHBondContact CA-OG 3.21Å; S164-R170 WeakPolarHBondContact CB-O 3.33Å; S164-Y172 WeakPolarHBondContact CB-O 3.5Å; S164-Y172 PolarHBondContact N-O 3.27Å; S164-Y172 PolarHBondContact OG-N 3.33Å; S164-Y172 PolarHBondContact OG-O 3.4Å; S164-Q286 PolarHBondContact OG-NE2 3.11Å
165	C	94.7	Very high	97.1	Very high	1 Å²	1	27 Å²	27	1%	0.007	14%	0.135	C	C	.	.			trans	-132.6	-167.9	167.8	64.1	0	0	0	0	111.6	F167 S168 W218 Q286	C165-F167 PolarHBondContact O-N 2.98Å; C165-F167 PolarHBondContact SG-N 3.28Å; C165-F167 VanDerWaalsContact SG-N 3.42Å; C165-S168 PolarHBondContact N-OG 3.06Å; C165-S168 VanDerWaalsContact O-CB 3.29Å; C165-S168 WeakPolarHBondContact O-CB 3.46Å; C165-S168 PolarHBondContact O-N 2.87Å; C165-W218 HydrophobicContact CB-CB 4.47Å; C165-W218 HydrophobicContact CB-CD2 3.38Å; C165-W218 HydrophobicContact CB-CE3 4Å; C165-W218 HydrophobicContact CB-CG 3.65Å; C165-W218 HydrophobicContact CB-CH2 4.26Å; C165-W218 HydrophobicContact CB-CZ2 3.68Å; C165-W218 HydrophobicContact CB-CZ3 4.45Å; C165-Q286 PolarHBondContact O-NE2 3.12Å; C165-Q286 PolarHBondContact O-OE1 3.43Å
166	D	91.8	Very high	97.1	Very high	47 Å²	47	30.4 Å²	30.4	25%	0.251	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.1	171.8	58.7	-37	0	0	0	112.9	S168 F285	D166-S168 PolarHBondContact O-N 3.04Å; D166-F285 HydrophobicContact CB-CB 3.99Å; D166-F285 HydrophobicContact CB-CD1 4.03Å; D166-F285 HydrophobicContact CB-CD2 3.79Å; D166-F285 HydrophobicContact CB-CE1 4.48Å; D166-F285 HydrophobicContact CB-CE2 4.21Å; D166-F285 HydrophobicContact CB-CG 3.68Å
167	F	92.6	Very high	97.1	Very high	54 Å²	54	32.9 Å²	32.9	24%	0.237	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	32.9	172	-69.3	-89.4	0	0	0	113.1	T125 A127 C165 R382	T125-F167 HydrophobicContact CG2-CB 4.11Å; A127-F167 HydrophobicContact CB-CB 4Å; A127-F167 HydrophobicContact CB-CD1 4.27Å; A127-F167 VanDerWaalsContact CB-O 3.25Å; A127-F167 WeakPolarHBondContact CB-O 3.36Å; A127-F167 PolarHBondContact N-O 3.49Å; C165-F167 PolarHBondContact O-N 2.98Å; C165-F167 PolarHBondContact SG-N 3.28Å; C165-F167 VanDerWaalsContact SG-N 3.42Å; F167-R382 HydrophobicContact CZ-CB 4.24Å; F167-R382 HydrophobicContact CZ-CG 4.19Å
168	S	94.4	Very high	97.2	Very high	22 Å²	22	36.1 Å²	36.1	15%	0.154	19%	0.192	C	C	.	.	S	Bend	trans	-118.4	146.6	172	-61.8	0	0	0	0	110.7	D126 S164 C165 D166 R170	D126-S168 VanDerWaalsContact OD2-CB 3.23Å; D126-S168 WeakPolarHBondContact OD2-CB 3.39Å; D126-S168 PolarHBondContact OD2-OG 3.13Å; S164-S168 WeakPolarHBondContact CA-OG 3.21Å; C165-S168 PolarHBondContact N-OG 3.06Å; C165-S168 VanDerWaalsContact O-CB 3.29Å; C165-S168 WeakPolarHBondContact O-CB 3.46Å; C165-S168 PolarHBondContact O-N 2.87Å; D166-S168 PolarHBondContact O-N 3.04Å; S168-R170 VanDerWaalsContact C-N 3.33Å; S168-R170 WeakPolarHBondContact CB-O 3.43Å
169	I	94	Very high	97.1	Very high	137 Å²	137	40.8 Å²	40.8	70%	0.703	22%	0.216	S	C	*	.	S	Bend	trans	-82.1	-12.2	179.5	61	169.8	0	0	0	113.5	L130	L130-I169 HydrophobicContact CD1-CD1 3.97Å; L130-I169 HydrophobicContact CD1-CG1 4.17Å; L130-I169 HydrophobicContact CD1-CG2 3.86Å
170	R	96.4	Very high	97.1	Very high	108 Å²	108	39.9 Å²	39.9	41%	0.408	21%	0.214	S	C	.	.	S	Bend	trans	-143.3	154	171.8	70.4	177.3	-176.7	94.9	8.4	109.8	S164 S168 Y172 E191	S164-R170 WeakPolarHBondContact CB-O 3.33Å; S168-R170 VanDerWaalsContact C-N 3.33Å; S168-R170 WeakPolarHBondContact CB-O 3.43Å; R170-Y172 HydrophobicContact CG-CD1 3.89Å; R170-Y172 HydrophobicContact CG-CE1 4.47Å; R170-E191 IonicContact CZ-OE1 2.67Å; R170-E191 VanDerWaalsContact CZ-OE1 3.28Å; R170-E191 IonicContact CZ-OE2 3.81Å; R170-E191 IonicContact NE-OE1 2.66Å; R170-E191 PolarHBondContact NE-OE1 3.29Å; R170-E191 IonicContact NE-OE2 3.12Å; R170-E191 IonicContact NH2-OE1 3.02Å; R170-E191 PolarHBondContact NH2-OE1 3.08Å; R170-E191 VanDerWaalsContact NH2-OE1 3.12Å; R170-E191 IonicContact NH2-OE2 3.28Å; R170-E191 PolarHBondContact NH2-OE2 2.88Å
171	T	97.1	Very high	97.1	Very high	95 Å²	95	41.8 Å²	41.8	58%	0.583	22%	0.223	S	C	*	.			trans	-88	130.5	172.8	-54.4	0	0	0	0	110.1	Q286	T171-Q286 HydrophobicContact CG2-CG 4.03Å
172	Y	98.5	Very high	97.1	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.012	25%	0.251	C	S	.	.			trans	-158.2	158.5	177.1	66.7	-86.4	0	0	0	111.9	D126 A163 S164 R170 Y174 P189 E191	D126-Y172 PolarHBondContact OD1-OH 2.84Å; D126-Y172 WeakPolarHBondContact OD2-CE1 3.5Å; D126-Y172 PolarHBondContact OD2-OH 3.29Å; A163-Y172 HydrophobicContact CB-CD2 3.9Å; A163-Y172 HydrophobicContact CB-CE2 3.72Å; A163-Y172 WeakPolarHBondContact CB-O 3.46Å; S164-Y172 WeakPolarHBondContact CB-O 3.5Å; S164-Y172 PolarHBondContact N-O 3.27Å; S164-Y172 PolarHBondContact OG-N 3.33Å; S164-Y172 PolarHBondContact OG-O 3.4Å; R170-Y172 HydrophobicContact CG-CD1 3.89Å; R170-Y172 HydrophobicContact CG-CE1 4.47Å; Y172-Y174 HydrophobicContact CE2-CE1 4.33Å; Y172-P189 HydrophobicContact CD2-CG 3.72Å; Y172-P189 HydrophobicContact CE2-CG 3.41Å; Y172-P189 VanDerWaalsContact CE2-CG 3.41Å; Y172-E191 HydrophobicContact CE1-CB 4.36Å; Y172-E191 HydrophobicContact CE1-CG 3.92Å; Y172-E191 VanDerWaalsContact OH-CB 3.23Å; Y172-E191 WeakPolarHBondContact OH-CB 3.41Å
173	T	98.8	Very high	97	Very high	11 Å²	11	47.8 Å²	47.8	7%	0.067	25%	0.251	C	S	.	.			trans	-123.5	178	164.4	80.1	0	0	0	0	109.8	A175 D176 T219	T173-A175 VanDerWaalsContact C-N 3.31Å; T173-A175 PolarHBondContact OG1-N 3.07Å; T173-D176 WeakPolarHBondContact CB-OD1 3.28Å; T173-D176 WeakPolarHBondContact CG2-OD1 3.46Å; T173-D176 PolarHBondContact N-OD1 2.81Å; T173-D176 PolarHBondContact N-OD2 2.84Å; T173-D176 VanDerWaalsContact OG1-CG 3.3Å; T173-D176 PolarHBondContact OG1-OD1 3.18Å; T173-T219 HydrophobicContact CG2-CG2 4.25Å
174	Y	98.9	Very high	97	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.016	28%	0.283	C	S	.	.	S	Bend	trans	-81.6	-11.3	176.3	-56.4	-44.4	0	0	0	113.1	M162 A163 Y172 F186 S187 L188 P189 D192 Y251 F255	M162-Y174 HydrophobicContact CB-CE2 4.18Å; A163-Y174 HydrophobicContact CB-CD1 4.07Å; A163-Y174 HydrophobicContact CB-CD2 4.35Å; A163-Y174 HydrophobicContact CB-CE1 3.79Å; A163-Y174 HydrophobicContact CB-CE2 4.07Å; A163-Y174 HydrophobicContact CB-CG 4.35Å; A163-Y174 PolarHBondContact N-OH 2.92Å; Y172-Y174 HydrophobicContact CE2-CE1 4.33Å; Y174-F186 AromaticContact CD2-CE2 3.85Å; Y174-F186 HydrophobicContact CD2-CE2 3.85Å; Y174-F186 AromaticContact CD2-CZ 3.62Å; Y174-F186 HydrophobicContact CD2-CZ 3.62Å; Y174-F186 HydrophobicContact CG-CE2 4.03Å; Y174-F186 AromaticContact CG-CZ 3.86Å; Y174-F186 HydrophobicContact CG-CZ 3.86Å; Y174-F186 CarbonylContact O-C 3.56Å; Y174-F186 VanDerWaalsContact O-CA 3.25Å; Y174-F186 WeakPolarHBondContact O-CA 3.37Å; Y174-S187 WeakPolarHBondContact CA-O 3.44Å; Y174-S187 WeakPolarHBondContact CB-O 3.25Å; Y174-S187 WeakPolarHBondContact CD1-O 3.34Å; Y174-S187 PolarHBondContact O-N 2.84Å; Y174-L188 HydrophobicContact CD1-CD2 3.91Å; Y174-L188 HydrophobicContact CD2-CD2 4.39Å; Y174-L188 HydrophobicContact CE1-CD2 3.61Å; Y174-L188 HydrophobicContact CE2-CD2 4.14Å; Y174-L188 HydrophobicContact CG-CD2 4.28Å; Y174-P189 HydrophobicContact CE1-CG 4.46Å; Y174-D192 VanDerWaalsContact CE1-OD2 3.25Å; Y174-D192 WeakPolarHBondContact CE1-OD2 3.38Å; Y174-D192 PolarHBondContact OH-OD1 2.89Å; Y174-D192 PolarHBondContact OH-OD2 3.48Å; Y174-Y251 WeakPolarHBondContact CB-OH 3.23Å; Y174-Y251 AromaticContact CD2-CE1 3.84Å; Y174-Y251 HydrophobicContact CD2-CE1 3.84Å; Y174-Y251 HydrophobicContact CD2-CE2 4.36Å; Y174-Y251 AromaticContact CD2-CZ 3.51Å; Y174-Y251 WeakPolarHBondContact CD2-OH 3.48Å; Y174-Y251 AromaticContact CG-CZ 3.96Å; Y174-Y251 PolarHBondContact N-OH 3.04Å; Y174-F255 HydrophobicContact CD2-CD2 4.3Å; Y174-F255 HydrophobicContact CE2-CB 4.48Å; Y174-F255 AromaticContact CE2-CD2 3.46Å; Y174-F255 HydrophobicContact CE2-CD2 3.46Å; Y174-F255 VanDerWaalsContact CE2-CD2 3.46Å; Y174-F255 HydrophobicContact CE2-CE2 4.1Å; Y174-F255 HydrophobicContact CE2-CG 4.34Å
175	A	98.6	Very high	97	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.008	30%	0.304	C	S	.	.			trans	-140.2	55.7	-174.6	0	0	0	0	0	111.6	T173 T177 L183 F186 P221 W223 Y251	T173-A175 VanDerWaalsContact C-N 3.31Å; T173-A175 PolarHBondContact OG1-N 3.07Å; A175-T177 PolarHBondContact O-N 2.9Å; A175-L183 HydrophobicContact CB-CD2 3.82Å; A175-F186 HydrophobicContact CB-CD2 4.46Å; A175-P221 HydrophobicContact CB-CG 3.99Å; A175-P221 WeakPolarHBondContact O-CB 3.18Å; A175-W223 PolarHBondContact O-NE1 2.62Å; A175-Y251 HydrophobicContact CB-CD2 4.13Å; A175-Y251 HydrophobicContact CB-CE2 3.97Å
176	D	98.3	Very high	97.2	Very high	78 Å²	78	60 Å²	60	42%	0.417	31%	0.31	S	S	.	.			trans	-73.7	-6.1	-177.3	-72.6	-34.8	0	0	0	114.1	T173 P178	T173-D176 WeakPolarHBondContact CB-OD1 3.28Å; T173-D176 WeakPolarHBondContact CG2-OD1 3.46Å; T173-D176 PolarHBondContact N-OD1 2.81Å; T173-D176 PolarHBondContact N-OD2 2.84Å; T173-D176 VanDerWaalsContact OG1-CG 3.3Å; T173-D176 PolarHBondContact OG1-OD1 3.18Å; D176-P178 WeakPolarHBondContact O-CD 3.35Å
177	T	98.4	Very high	97.5	Very high	59 Å²	59	61.3 Å²	61.3	36%	0.362	32%	0.322	S	S	.	.	S	Bend	trans	-65.7	122.2	172.3	-59.8	0	0	0	0	109.6	A175 D180 N185 W223	A175-T177 PolarHBondContact O-N 2.9Å; T177-D180 HydrophobicContact CG2-CB 4.44Å; T177-N185 WeakPolarHBondContact CB-ND2 3.29Å; T177-N185 WeakPolarHBondContact CG2-ND2 3.36Å; T177-N185 WeakPolarHBondContact OG1-CB 3.31Å; T177-N185 PolarHBondContact OG1-ND2 2.89Å; T177-W223 PolarHBondContact O-NE1 2.94Å
178	P	98.2	Very high	97.8	Very high	94 Å²	94	60 Å²	60	61%	0.61	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	140.1	-178.4	-26.1	35.3	0	0	0	113.4	D176 D180	D176-P178 WeakPolarHBondContact O-CD 3.35Å; P178-D180 PolarHBondContact O-N 3.44Å; P178-D180 VanDerWaalsContact O-N 3.11Å
179	D	97.4	Very high	98	Very high	100 Å²	100	60.3 Å²	60.3	54%	0.535	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	24.2	174	-57.5	-39.4	0	0	0	115.2	F181	D179-F181 HydrophobicContact CB-CD2 4.41Å; D179-F181 HydrophobicContact CB-CE2 3.95Å; D179-F181 WeakPolarHBondContact O-CD2 3.36Å; D179-F181 PolarHBondContact O-N 2.85Å
180	D	98.2	Very high	98.3	Very high	18 Å²	18	59.2 Å²	59.2	10%	0.096	31%	0.311	C	S	.	.			trans	-77.7	64.9	174.7	-177.2	20.5	0	0	0	111.9	T177 P178 Q182 L183 H184 N185 W223	T177-D180 HydrophobicContact CG2-CB 4.44Å; P178-D180 PolarHBondContact O-N 3.44Å; P178-D180 VanDerWaalsContact O-N 3.11Å; D180-Q182 PolarHBondContact O-N 2.98Å; D180-Q182 VanDerWaalsContact O-N 3.16Å; D180-L183 PolarHBondContact O-N 3.2Å; D180-L183 PolarHBondContact OD1-N 2.93Å; D180-L183 VanDerWaalsContact OD2-CA 3.32Å; D180-L183 WeakPolarHBondContact OD2-CA 3.29Å; D180-H184 PolarHBondContact OD1-N 3.4Å; D180-H184 PolarHBondContact OD2-N 2.93Å; D180-N185 WeakPolarHBondContact OD2-CB 3.27Å; D180-N185 PolarHBondContact OD2-N 3.19Å; D180-W223 VanDerWaalsContact C-CH2 3.41Å; D180-W223 HydrophobicContact CB-CZ2 4.27Å; D180-W223 VanDerWaalsContact O-CH2 3.22Å; D180-W223 WeakPolarHBondContact O-CH2 3.48Å
181	F	98.4	Very high	98.4	Very high	40 Å²	40	55.1 Å²	55.1	18%	0.175	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.2	-179.8	-65.7	-79.2	0	0	0	113.7	D179 L183 W223 L224 I243 Y244 T247 R250	D179-F181 HydrophobicContact CB-CD2 4.41Å; D179-F181 HydrophobicContact CB-CE2 3.95Å; D179-F181 WeakPolarHBondContact O-CD2 3.36Å; D179-F181 PolarHBondContact O-N 2.85Å; F181-L183 VanDerWaalsContact C-N 3.33Å; F181-W223 HydrophobicContact CD1-CH2 4.45Å; F181-W223 AromaticContact CD1-CZ3 3.69Å; F181-W223 HydrophobicContact CD1-CZ3 3.69Å; F181-W223 HydrophobicContact CD2-CZ3 4.49Å; F181-W223 HydrophobicContact CE1-CE3 4.28Å; F181-W223 AromaticContact CE1-CZ3 3.73Å; F181-W223 HydrophobicContact CE1-CZ3 3.73Å; F181-W223 HydrophobicContact CG-CZ3 4.09Å; F181-W223 HydrophobicContact CZ-CE3 4.36Å; F181-W223 HydrophobicContact CZ-CZ3 4.15Å; F181-L224 HydrophobicContact CE1-CD2 4.26Å; F181-I243 HydrophobicContact CB-CD1 3.95Å; F181-I243 HydrophobicContact CB-CG1 4.3Å; F181-I243 HydrophobicContact CD1-CD1 3.66Å; F181-I243 HydrophobicContact CD1-CG1 3.61Å; F181-I243 HydrophobicContact CD1-CG2 4.36Å; F181-I243 HydrophobicContact CD2-CD1 4.17Å; F181-I243 HydrophobicContact CE1-CD1 4.16Å; F181-I243 HydrophobicContact CE1-CG1 4.16Å; F181-I243 HydrophobicContact CE1-CG2 4.02Å; F181-I243 HydrophobicContact CG-CD1 3.66Å; F181-I243 HydrophobicContact CG-CG1 4.07Å; F181-Y244 AromaticContact CE1-CD1 3.71Å; F181-Y244 HydrophobicContact CE1-CD1 3.71Å; F181-Y244 AromaticContact CE1-CE1 3.62Å; F181-Y244 HydrophobicContact CE1-CE1 3.62Å; F181-Y244 HydrophobicContact CZ-CD1 4.26Å; F181-Y244 AromaticContact CZ-CE1 3.69Å; F181-Y244 HydrophobicContact CZ-CE1 3.69Å; F181-T247 PolarHBondContact O-OG1 3.03Å; F181-R250 PolarHBondContact O-NH2 2.83Å
182	Q	97.9	Very high	98.4	Very high	126 Å²	126	50.6 Å²	50.6	59%	0.589	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-9.9	175.7	-60.8	-58.3	-25.1	0	0	112.8	D180 H184	D180-Q182 PolarHBondContact O-N 2.98Å; D180-Q182 VanDerWaalsContact O-N 3.16Å; Q182-H184 WeakPolarHBondContact CB-NE2 3.41Å; Q182-H184 PolarHBondContact O-N 3.11Å
183	L	98.4	Very high	98.5	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	28%	0.282	C	S	.	.			trans	56.3	37.8	-178.1	-57.6	173.8	0	0	0	111.9	A175 D180 F181 N185 F186 T247 R250 Y251 K254	A175-L183 HydrophobicContact CB-CD2 3.82Å; D180-L183 PolarHBondContact O-N 3.2Å; D180-L183 PolarHBondContact OD1-N 2.93Å; D180-L183 VanDerWaalsContact OD2-CA 3.32Å; D180-L183 WeakPolarHBondContact OD2-CA 3.29Å; F181-L183 VanDerWaalsContact C-N 3.33Å; L183-N185 VanDerWaalsContact C-N 3.28Å; L183-F186 HydrophobicContact CB-CB 4.17Å; L183-F186 WeakPolarHBondContact O-CB 3.24Å; L183-F186 PolarHBondContact O-N 3.33Å; L183-T247 HydrophobicContact CD1-CG2 4.36Å; L183-T247 HydrophobicContact CD2-CG2 3.97Å; L183-T247 HydrophobicContact CG-CG2 4.12Å; L183-R250 HydrophobicContact CD1-CB 3.93Å; L183-Y251 HydrophobicContact CD2-CD2 4.28Å; L183-K254 HydrophobicContact CD1-CG 4.17Å
184	H	98	Very high	98.5	Very high	148 Å²	148	57.9 Å²	57.9	69%	0.685	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-31.7	177	-71.2	166.8	0	0	0	111.9	D180 Q182 F186	D180-H184 PolarHBondContact OD1-N 3.4Å; D180-H184 PolarHBondContact OD2-N 2.93Å; Q182-H184 WeakPolarHBondContact CB-NE2 3.41Å; Q182-H184 PolarHBondContact O-N 3.11Å; H184-F186 VanDerWaalsContact C-N 3.31Å
185	N	98.1	Very high	98.4	Very high	84 Å²	84	59.3 Å²	59.3	45%	0.449	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	14.1	-179.5	-64	5.4	0	0	0	111.8	T177 D180 L183 S187	T177-N185 WeakPolarHBondContact CB-ND2 3.29Å; T177-N185 WeakPolarHBondContact CG2-ND2 3.36Å; T177-N185 WeakPolarHBondContact OG1-CB 3.31Å; T177-N185 PolarHBondContact OG1-ND2 2.89Å; D180-N185 WeakPolarHBondContact OD2-CB 3.27Å; D180-N185 PolarHBondContact OD2-N 3.19Å; L183-N185 VanDerWaalsContact C-N 3.28Å; N185-S187 PolarHBondContact O-N 3.43Å
186	F	98.8	Very high	98.4	Very high	29 Å²	29	59.2 Å²	59.2	13%	0.127	31%	0.311	C	S	.	.			trans	-62.1	123.2	173.1	-176.1	-78.8	0	0	0	110.2	Y174 A175 L183 H184 Y251 K254 F255 A258	Y174-F186 AromaticContact CD2-CE2 3.85Å; Y174-F186 HydrophobicContact CD2-CE2 3.85Å; Y174-F186 AromaticContact CD2-CZ 3.62Å; Y174-F186 HydrophobicContact CD2-CZ 3.62Å; Y174-F186 HydrophobicContact CG-CE2 4.03Å; Y174-F186 AromaticContact CG-CZ 3.86Å; Y174-F186 HydrophobicContact CG-CZ 3.86Å; Y174-F186 CarbonylContact O-C 3.56Å; Y174-F186 VanDerWaalsContact O-CA 3.25Å; Y174-F186 WeakPolarHBondContact O-CA 3.37Å; A175-F186 HydrophobicContact CB-CD2 4.46Å; L183-F186 HydrophobicContact CB-CB 4.17Å; L183-F186 WeakPolarHBondContact O-CB 3.24Å; L183-F186 PolarHBondContact O-N 3.33Å; H184-F186 VanDerWaalsContact C-N 3.31Å; F186-Y251 AromaticContact CD2-CD2 3.85Å; F186-Y251 HydrophobicContact CD2-CD2 3.85Å; F186-Y251 HydrophobicContact CD2-CE2 4Å; F186-Y251 HydrophobicContact CD2-CG 4.46Å; F186-Y251 HydrophobicContact CE2-CD1 4.31Å; F186-Y251 AromaticContact CE2-CD2 3.73Å; F186-Y251 HydrophobicContact CE2-CD2 3.73Å; F186-Y251 HydrophobicContact CE2-CE1 4.31Å; F186-Y251 AromaticContact CE2-CE2 3.74Å; F186-Y251 HydrophobicContact CE2-CE2 3.74Å; F186-Y251 HydrophobicContact CE2-CG 4.03Å; F186-K254 HydrophobicContact CD1-CB 3.95Å; F186-K254 HydrophobicContact CD2-CB 3.8Å; F186-K254 HydrophobicContact CE1-CB 3.94Å; F186-K254 WeakPolarHBondContact CE1-O 3.4Å; F186-K254 HydrophobicContact CE2-CB 3.75Å; F186-K254 HydrophobicContact CG-CB 3.91Å; F186-K254 HydrophobicContact CG-CG 4.46Å; F186-K254 HydrophobicContact CZ-CB 3.85Å; F186-F255 HydrophobicContact CZ-CB 4.02Å; F186-A258 HydrophobicContact CE1-CB 4.09Å
187	S	98.6	Very high	98.5	Very high	73 Å²	73	55.8 Å²	55.8	51%	0.51	29%	0.292	S	S	.	.			trans	-152.9	151.3	176	57.8	0	0	0	0	112.9	Y174 N185	Y174-S187 WeakPolarHBondContact CA-O 3.44Å; Y174-S187 WeakPolarHBondContact CB-O 3.25Å; Y174-S187 WeakPolarHBondContact CD1-O 3.34Å; Y174-S187 PolarHBondContact O-N 2.84Å; N185-S187 PolarHBondContact O-N 3.43Å
188	L	98.9	Very high	98.5	Very high	27 Å²	27	55.4 Å²	55.4	14%	0.141	29%	0.291	C	S	.	.			trans	-84	123.9	171.3	-63.6	-176	0	0	0	109.6	Y174 D192 T193 I197 A258 Y259	Y174-L188 HydrophobicContact CD1-CD2 3.91Å; Y174-L188 HydrophobicContact CD2-CD2 4.39Å; Y174-L188 HydrophobicContact CE1-CD2 3.61Å; Y174-L188 HydrophobicContact CE2-CD2 4.14Å; Y174-L188 HydrophobicContact CG-CD2 4.28Å; L188-D192 HydrophobicContact CB-CB 4Å; L188-D192 HydrophobicContact CD1-CB 4.43Å; L188-D192 HydrophobicContact CD2-CB 4.37Å; L188-T193 HydrophobicContact CB-CG2 3.88Å; L188-I197 HydrophobicContact CD1-CD1 3.94Å; L188-A258 HydrophobicContact CD1-CB 3.68Å; L188-A258 HydrophobicContact CD2-CB 4.26Å; L188-A258 HydrophobicContact CG-CB 3.79Å; L188-Y259 HydrophobicContact CD1-CD2 3.79Å; L188-Y259 HydrophobicContact CD1-CE2 3.85Å; L188-Y259 HydrophobicContact CD2-CD2 4.25Å; L188-Y259 HydrophobicContact CD2-CE2 3.94Å
189	P	98.7	Very high	98.5	Very high	29 Å²	29	51 Å²	51	19%	0.188	26%	0.262	C	S	.	.			trans	-78.8	-173.9	177.2	34.8	-37.1	0	0	0	112.1	Y172 Y174 E191 D192 T193	Y172-P189 HydrophobicContact CD2-CG 3.72Å; Y172-P189 HydrophobicContact CE2-CG 3.41Å; Y172-P189 VanDerWaalsContact CE2-CG 3.41Å; Y174-P189 HydrophobicContact CE1-CG 4.46Å; P189-E191 VanDerWaalsContact C-N 3.28Å; P189-E191 WeakPolarHBondContact CB-OE2 3.47Å; P189-E191 PolarHBondContact O-N 3.27Å; P189-D192 WeakPolarHBondContact CD-OD2 3.31Å; P189-D192 PolarHBondContact O-N 3.23Å; P189-T193 PolarHBondContact O-N 3.1Å; P189-T193 PolarHBondContact O-OG1 3.14Å
190	E	98.6	Very high	98.6	Very high	113 Å²	113	46.2 Å²	46.2	53%	0.528	24%	0.237	S	C	.	.	H	α-helix	trans	-64	-30.3	-178.9	-61.7	-160.3	170.8	0	0	113.4	D192 T193 K194 L195	E190-D192 PolarHBondContact O-N 2.87Å; E190-T193 WeakPolarHBondContact CA-OG1 3.13Å; E190-T193 PolarHBondContact O-N 3.49Å; E190-K194 HydrophobicContact CB-CB 4.47Å; E190-K194 HydrophobicContact CB-CD 4.06Å; E190-K194 HydrophobicContact CB-CG 4.29Å; E190-K194 HydrophobicContact CG-CD 4Å; E190-K194 WeakPolarHBondContact O-CA 3.37Å; E190-K194 WeakPolarHBondContact O-CB 3.32Å; E190-K194 PolarHBondContact O-N 3.33Å; E190-K194 WeakPolarHBondContact OE1-CE 3.4Å; E190-K194 IonicContact OE1-NZ 3.28Å; E190-K194 PolarHBondContact OE1-NZ 2.75Å; E190-K194 WeakPolarHBondContact OE2-CD 3.45Å; E190-K194 IonicContact OE2-NZ 3.56Å; E190-K194 PolarHBondContact OE2-NZ 2.86Å; E190-L195 PolarHBondContact O-N 3.24Å
191	E	98.7	Very high	98.6	Very high	22 Å²	22	47.8 Å²	47.8	10%	0.103	24%	0.243	C	C	.	.	I	π-helix	trans	-57	-38.3	175	-70.9	81.7	174.2	0	0	111.7	R170 Y172 P189 L195 K196	R170-E191 IonicContact CZ-OE1 2.67Å; R170-E191 VanDerWaalsContact CZ-OE1 3.28Å; R170-E191 IonicContact CZ-OE2 3.81Å; R170-E191 IonicContact NE-OE1 2.66Å; R170-E191 PolarHBondContact NE-OE1 3.29Å; R170-E191 IonicContact NE-OE2 3.12Å; R170-E191 IonicContact NH2-OE1 3.02Å; R170-E191 PolarHBondContact NH2-OE1 3.08Å; R170-E191 VanDerWaalsContact NH2-OE1 3.12Å; R170-E191 IonicContact NH2-OE2 3.28Å; R170-E191 PolarHBondContact NH2-OE2 2.88Å; Y172-E191 HydrophobicContact CE1-CB 4.36Å; Y172-E191 HydrophobicContact CE1-CG 3.92Å; Y172-E191 VanDerWaalsContact OH-CB 3.23Å; Y172-E191 WeakPolarHBondContact OH-CB 3.41Å; P189-E191 VanDerWaalsContact C-N 3.28Å; P189-E191 WeakPolarHBondContact CB-OE2 3.47Å; P189-E191 PolarHBondContact O-N 3.27Å; E191-L195 HydrophobicContact CG-CD1 4.44Å; E191-L195 VanDerWaalsContact O-CB 3.3Å; E191-L195 WeakPolarHBondContact O-CB 3.2Å; E191-K196 WeakPolarHBondContact O-CD 3.35Å; E191-K196 WeakPolarHBondContact O-CG 3.36Å; E191-K196 PolarHBondContact O-N 3.14Å
192	D	98.9	Very high	98.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	I	π-helix	trans	-80.5	-58	173.9	-66.1	-91.6	0	0	0	110.9	Y174 L188 P189 E190 K194 K196 I197 Y259	Y174-D192 VanDerWaalsContact CE1-OD2 3.25Å; Y174-D192 WeakPolarHBondContact CE1-OD2 3.38Å; Y174-D192 PolarHBondContact OH-OD1 2.89Å; Y174-D192 PolarHBondContact OH-OD2 3.48Å; L188-D192 HydrophobicContact CB-CB 4Å; L188-D192 HydrophobicContact CD1-CB 4.43Å; L188-D192 HydrophobicContact CD2-CB 4.37Å; P189-D192 WeakPolarHBondContact CD-OD2 3.31Å; P189-D192 PolarHBondContact O-N 3.23Å; E190-D192 PolarHBondContact O-N 2.87Å; D192-K194 PolarHBondContact O-N 2.81Å; D192-K196 PolarHBondContact O-N 3.17Å; D192-K196 WeakPolarHBondContact OD1-CE 3.45Å; D192-K196 IonicContact OD1-NZ 3.65Å; D192-K196 PolarHBondContact OD1-NZ 2.97Å; D192-K196 IonicContact OD2-NZ 2.86Å; D192-I197 HydrophobicContact CB-CD1 4.23Å; D192-I197 WeakPolarHBondContact O-CB 3.13Å; D192-I197 VanDerWaalsContact O-CG1 3.29Å; D192-I197 WeakPolarHBondContact O-CG1 3.45Å; D192-I197 PolarHBondContact O-N 2.9Å; D192-Y259 PolarHBondContact OD1-OH 3.34Å
193	T	98.8	Very high	98.7	Very high	48 Å²	48	42.5 Å²	42.5	29%	0.294	22%	0.217	S	C	.	.	I	π-helix	trans	-73.7	-29.1	-166.7	56	0	0	0	0	114.4	L188 P189 E190 P198	L188-T193 HydrophobicContact CB-CG2 3.88Å; P189-T193 PolarHBondContact O-N 3.1Å; P189-T193 PolarHBondContact O-OG1 3.14Å; E190-T193 WeakPolarHBondContact CA-OG1 3.13Å; E190-T193 PolarHBondContact O-N 3.49Å; T193-P198 WeakPolarHBondContact O-CD 3.4Å; T193-P198 WeakPolarHBondContact O-CG 3.32Å
194	K	98.6	Very high	98.7	Very high	119 Å²	119	45 Å²	45	52%	0.517	23%	0.23	S	C	.	.	I	π-helix	trans	-108	-24.1	-179	-60.5	-174.6	-178.8	170.2	0	113.6	E190 D192	E190-K194 HydrophobicContact CB-CB 4.47Å; E190-K194 HydrophobicContact CB-CD 4.06Å; E190-K194 HydrophobicContact CB-CG 4.29Å; E190-K194 HydrophobicContact CG-CD 4Å; E190-K194 WeakPolarHBondContact O-CA 3.37Å; E190-K194 WeakPolarHBondContact O-CB 3.32Å; E190-K194 PolarHBondContact O-N 3.33Å; E190-K194 WeakPolarHBondContact OE1-CE 3.4Å; E190-K194 IonicContact OE1-NZ 3.28Å; E190-K194 PolarHBondContact OE1-NZ 2.75Å; E190-K194 WeakPolarHBondContact OE2-CD 3.45Å; E190-K194 IonicContact OE2-NZ 3.56Å; E190-K194 PolarHBondContact OE2-NZ 2.86Å; D192-K194 PolarHBondContact O-N 2.81Å
195	L	98.6	Very high	98.7	Very high	34 Å²	34	45.3 Å²	45.3	18%	0.178	23%	0.231	C	C	.	.	I	π-helix	trans	-107.3	-70.4	-178.2	-40.7	179	0	0	0	112.7	A129 L130 L133 E190 E191 L199	A129-L195 HydrophobicContact CB-CB 3.8Å; L130-L195 HydrophobicContact CD2-CD1 3.68Å; L130-L195 HydrophobicContact CG-CD1 3.97Å; L133-L195 HydrophobicContact CD1-CB 3.92Å; L133-L195 HydrophobicContact CD1-CD2 3.52Å; L133-L195 HydrophobicContact CD1-CG 4.32Å; E190-L195 PolarHBondContact O-N 3.24Å; E191-L195 HydrophobicContact CG-CD1 4.44Å; E191-L195 VanDerWaalsContact O-CB 3.3Å; E191-L195 WeakPolarHBondContact O-CB 3.2Å; L195-L199 WeakPolarHBondContact O-CB 3.22Å; L195-L199 WeakPolarHBondContact O-CG 3.23Å; L195-L199 PolarHBondContact O-N 2.92Å
196	K	98.8	Very high	98.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	I	π-helix	trans	-67	-52.7	-170.8	-67.6	155.8	60.7	-171.1	0	112.3	M124 D126 A129 P161 E191 D192 L199 I200 Y259	M124-K196 HydrophobicContact CG-CB 4.25Å; M124-K196 HydrophobicContact CG-CG 4.18Å; D126-K196 WeakPolarHBondContact OD1-CD 3.44Å; A129-K196 HydrophobicContact CB-CG 4.4Å; P161-K196 PolarHBondContact O-NZ 3.2Å; E191-K196 WeakPolarHBondContact O-CD 3.35Å; E191-K196 WeakPolarHBondContact O-CG 3.36Å; E191-K196 PolarHBondContact O-N 3.14Å; D192-K196 PolarHBondContact O-N 3.17Å; D192-K196 WeakPolarHBondContact OD1-CE 3.45Å; D192-K196 IonicContact OD1-NZ 3.65Å; D192-K196 PolarHBondContact OD1-NZ 2.97Å; D192-K196 IonicContact OD2-NZ 2.86Å; K196-L199 PolarHBondContact O-N 3.35Å; K196-I200 HydrophobicContact CB-CD1 4.43Å; K196-I200 WeakPolarHBondContact O-CD1 2.99Å; K196-I200 WeakPolarHBondContact O-CG1 3.3Å; K196-I200 PolarHBondContact O-N 2.65Å; K196-Y259 WeakPolarHBondContact CE-OH 3.28Å
197	I	98.9	Very high	98.6	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-49	-174.4	-69.6	171.4	0	0	0	111.6	L188 D192 L199 I200 H201 Y259 H262 L264	L188-I197 HydrophobicContact CD1-CD1 3.94Å; D192-I197 HydrophobicContact CB-CD1 4.23Å; D192-I197 WeakPolarHBondContact O-CB 3.13Å; D192-I197 VanDerWaalsContact O-CG1 3.29Å; D192-I197 WeakPolarHBondContact O-CG1 3.45Å; D192-I197 PolarHBondContact O-N 2.9Å; I197-L199 VanDerWaalsContact C-N 3.33Å; I197-L199 PolarHBondContact O-N 2.67Å; I197-I200 PolarHBondContact O-N 3.03Å; I197-H201 PolarHBondContact O-CD2 2.98Å; I197-H201 PolarHBondContact O-N 3.29Å; I197-Y259 HydrophobicContact CD1-CD1 4.47Å; I197-Y259 HydrophobicContact CD1-CD2 4.5Å; I197-Y259 HydrophobicContact CD1-CE1 4.19Å; I197-Y259 HydrophobicContact CD1-CE2 4.19Å; I197-Y259 HydrophobicContact CG1-CD1 4.28Å; I197-Y259 HydrophobicContact CG1-CE1 3.73Å; I197-H262 HydrophobicContact CD1-CB 4.13Å; I197-H262 HydrophobicContact CG2-CB 3.89Å; I197-L264 HydrophobicContact CB-CD1 4.33Å; I197-L264 HydrophobicContact CG1-CD1 4.08Å; I197-L264 HydrophobicContact CG2-CD1 4Å
198	P	98.9	Very high	98.5	Very high	52 Å²	52	46.9 Å²	46.9	34%	0.338	23%	0.232	S	C	.	.	H	α-helix	trans	-61.4	-38.2	177	-26.3	37	0	0	0	113.6	T193 R202	T193-P198 WeakPolarHBondContact O-CD 3.4Å; T193-P198 WeakPolarHBondContact O-CG 3.32Å; P198-R202 WeakPolarHBondContact O-CG 3.38Å; P198-R202 PolarHBondContact O-N 2.86Å; P198-R202 VanDerWaalsContact O-N 3.08Å
199	L	98.9	Very high	98.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-69.4	-38.7	176.7	-74.1	177	0	0	0	112.6	M124 A129 I132 L133 L144 L195 K196 I197 R202 A203	M124-L199 HydrophobicContact CE-CB 3.94Å; M124-L199 HydrophobicContact SD-CB 4.08Å; M124-L199 HydrophobicContact SD-CD1 3.9Å; A129-L199 VanDerWaalsContact CA-CD1 3.5Å; A129-L199 HydrophobicContact CB-CD1 3.65Å; I132-L199 HydrophobicContact CB-CD1 4.26Å; I132-L199 HydrophobicContact CD1-CD1 4.45Å; I132-L199 HydrophobicContact CG2-CD1 4.3Å; I132-L199 HydrophobicContact CG2-CD2 3.81Å; L133-L199 HydrophobicContact CD1-CD1 4.08Å; L133-L199 HydrophobicContact CD1-CG 4.37Å; L133-L199 HydrophobicContact CD2-CD2 3.99Å; L133-L199 HydrophobicContact CD2-CG 4.3Å; L133-L199 HydrophobicContact CG-CD1 4.02Å; L133-L199 HydrophobicContact CG-CD2 4.29Å; L133-L199 HydrophobicContact CG-CG 4.29Å; L144-L199 HydrophobicContact CD1-CD2 4.17Å; L195-L199 WeakPolarHBondContact O-CB 3.22Å; L195-L199 WeakPolarHBondContact O-CG 3.23Å; L195-L199 PolarHBondContact O-N 2.92Å; K196-L199 PolarHBondContact O-N 3.35Å; I197-L199 VanDerWaalsContact C-N 3.33Å; I197-L199 PolarHBondContact O-N 2.67Å; L199-R202 PolarHBondContact O-N 3.28Å; L199-A203 WeakPolarHBondContact O-CB 3.47Å; L199-A203 PolarHBondContact O-N 3.4Å
200	I	98.9	Very high	98.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-49.5	174.2	-68.7	162.8	0	0	0	109.1	M124 I158 V160 K196 I197 R202 A203 L204 L213 Y259 L264	M124-I200 HydrophobicContact CB-CG1 4.43Å; M124-I200 HydrophobicContact CG-CD1 4.45Å; M124-I200 HydrophobicContact CG-CG1 4.15Å; I158-I200 HydrophobicContact CD1-CG2 4.42Å; I158-I200 HydrophobicContact CG2-CG1 4.44Å; V160-I200 HydrophobicContact CG1-CD1 4.35Å; V160-I200 HydrophobicContact CG2-CD1 3.74Å; K196-I200 HydrophobicContact CB-CD1 4.43Å; K196-I200 WeakPolarHBondContact O-CD1 2.99Å; K196-I200 WeakPolarHBondContact O-CG1 3.3Å; K196-I200 PolarHBondContact O-N 2.65Å; I197-I200 PolarHBondContact O-N 3.03Å; I200-R202 VanDerWaalsContact C-N 3.32Å; I200-R202 PolarHBondContact O-N 2.91Å; I200-A203 WeakPolarHBondContact O-CB 3.46Å; I200-A203 PolarHBondContact O-N 2.78Å; I200-L204 HydrophobicContact CG2-CD1 4.23Å; I200-L204 HydrophobicContact CG2-CG 4.2Å; I200-L204 VanDerWaalsContact O-CG 3.3Å; I200-L204 WeakPolarHBondContact O-CG 3.14Å; I200-L204 PolarHBondContact O-N 3.5Å; I200-L213 HydrophobicContact CG2-CD1 4.1Å; I200-L213 HydrophobicContact CG2-CD2 3.9Å; I200-Y259 HydrophobicContact CD1-CE1 4.42Å; I200-L264 HydrophobicContact CB-CD1 4.25Å; I200-L264 HydrophobicContact CD1-CD1 4.44Å; I200-L264 HydrophobicContact CG2-CD1 3.95Å; I200-L264 HydrophobicContact CG2-CD2 3.72Å
201	H	98.9	Very high	98.2	Very high	50 Å²	50	47 Å²	47	23%	0.231	24%	0.239	C	C	.	.	H	α-helix	trans	-55.4	-44.9	176.1	-83.8	-60.2	0	0	0	112.9	I197 A203 L204 Q205 H262 L264	I197-H201 PolarHBondContact O-CD2 2.98Å; I197-H201 PolarHBondContact O-N 3.29Å; H201-A203 VanDerWaalsContact C-N 3.34Å; H201-A203 PolarHBondContact O-N 3.48Å; H201-L204 PolarHBondContact O-N 3.48Å; H201-Q205 VanDerWaalsContact O-CG 3.24Å; H201-Q205 WeakPolarHBondContact O-CG 3.32Å; H201-Q205 PolarHBondContact O-N 2.75Å; H201-H262 PolarHBondContact CE1-O 2.84Å; H201-H262 VanDerWaalsContact CE1-O 3.24Å; H201-H262 PolarHBondContact NE2-O 3.01Å; H201-L264 VanDerWaalsContact CE1-CD2 3.45Å; H201-L264 WeakPolarHBondContact CE1-CD2 3.37Å
202	R	98.8	Very high	98.2	Very high	56 Å²	56	46.5 Å²	46.5	21%	0.211	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-39.4	176.1	-72	170.1	64.3	-168.7	4.2	112.3	N141 L144 P198 L199 I200 Q205 L206	N141-R202 PolarHBondContact OD1-NH2 2.92Å; L144-R202 HydrophobicContact CD1-CB 3.82Å; P198-R202 WeakPolarHBondContact O-CG 3.38Å; P198-R202 PolarHBondContact O-N 2.86Å; P198-R202 VanDerWaalsContact O-N 3.08Å; L199-R202 PolarHBondContact O-N 3.28Å; I200-R202 VanDerWaalsContact C-N 3.32Å; I200-R202 PolarHBondContact O-N 2.91Å; R202-Q205 PolarHBondContact O-N 2.92Å; R202-L206 VanDerWaalsContact O-CG 3.29Å; R202-L206 WeakPolarHBondContact O-CG 3.32Å; R202-L206 PolarHBondContact O-N 3.29Å
203	A	98.6	Very high	98.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-45.8	175	0	0	0	0	0	111.6	F148 I158 L199 I200 H201 Q205 L206 A207	F148-A203 HydrophobicContact CD1-CB 4.12Å; F148-A203 HydrophobicContact CD2-CB 3.47Å; F148-A203 VanDerWaalsContact CD2-CB 3.47Å; F148-A203 HydrophobicContact CE1-CB 4.15Å; F148-A203 HydrophobicContact CE2-CB 3.51Å; F148-A203 HydrophobicContact CG-CB 3.8Å; F148-A203 HydrophobicContact CZ-CB 3.86Å; I158-A203 HydrophobicContact CD1-CB 3.94Å; L199-A203 WeakPolarHBondContact O-CB 3.47Å; L199-A203 PolarHBondContact O-N 3.4Å; I200-A203 WeakPolarHBondContact O-CB 3.46Å; I200-A203 PolarHBondContact O-N 2.78Å; H201-A203 VanDerWaalsContact C-N 3.34Å; H201-A203 PolarHBondContact O-N 3.48Å; A203-Q205 VanDerWaalsContact C-N 3.32Å; A203-Q205 PolarHBondContact O-N 3.38Å; A203-L206 PolarHBondContact O-N 2.91Å; A203-A207 PolarHBondContact O-N 2.86Å; A203-A207 VanDerWaalsContact O-N 3.12Å
204	L	98.5	Very high	98.1	Very high	56 Å²	56	44.8 Å²	44.8	29%	0.293	23%	0.226	S	C	.	.	H	α-helix	trans	-59.9	-40.4	176.6	-62.9	-173.6	0	0	0	112.1	I200 H201 L206 A207 V211 L264	I200-L204 HydrophobicContact CG2-CD1 4.23Å; I200-L204 HydrophobicContact CG2-CG 4.2Å; I200-L204 VanDerWaalsContact O-CG 3.3Å; I200-L204 WeakPolarHBondContact O-CG 3.14Å; I200-L204 PolarHBondContact O-N 3.5Å; H201-L204 PolarHBondContact O-N 3.48Å; L204-L206 VanDerWaalsContact C-N 3.32Å; L204-L206 PolarHBondContact O-N 2.96Å; L204-A207 PolarHBondContact O-N 3.27Å; L204-V211 HydrophobicContact CD2-CB 3.37Å; L204-V211 HydrophobicContact CD2-CG1 3.77Å; L204-V211 HydrophobicContact CD2-CG2 3.84Å; L204-L264 HydrophobicContact CD1-CD2 3.6Å
205	Q	98.4	Very high	98.1	Very high	154 Å²	154	39.1 Å²	39.1	72%	0.72	20%	0.202	S	C	*	.	H	α-helix	trans	-68.7	-28.4	178.9	-72.4	167.3	9.6	0	0	113.6	H201 R202 A203	H201-Q205 VanDerWaalsContact O-CG 3.24Å; H201-Q205 WeakPolarHBondContact O-CG 3.32Å; H201-Q205 PolarHBondContact O-N 2.75Å; R202-Q205 PolarHBondContact O-N 2.92Å; A203-Q205 VanDerWaalsContact C-N 3.32Å; A203-Q205 PolarHBondContact O-N 3.38Å
206	L	97.9	Very high	98	Very high	45 Å²	45	37.5 Å²	37.5	24%	0.236	19%	0.193	C	C	.	.	H	α-helix	trans	-83.8	-22.8	178	-70.3	170.1	0	0	0	112.7	L144 K145 R202 A203 L204	L144-L206 HydrophobicContact CB-CD1 3.54Å; K145-L206 HydrophobicContact CG-CD1 4.15Å; K145-L206 HydrophobicContact CG-CD2 3.87Å; R202-L206 VanDerWaalsContact O-CG 3.29Å; R202-L206 WeakPolarHBondContact O-CG 3.32Å; R202-L206 PolarHBondContact O-N 3.29Å; A203-L206 PolarHBondContact O-N 2.91Å; L204-L206 VanDerWaalsContact C-N 3.32Å; L204-L206 PolarHBondContact O-N 2.96Å
207	A	97.5	Very high	98	Very high	16 Å²	16	37.5 Å²	37.5	13%	0.132	19%	0.193	C	C	.	.			trans	-80.5	130.2	-179.2	0	0	0	0	0	111	F148 A203 L204 V211	F148-A207 HydrophobicContact CB-CB 4.39Å; F148-A207 WeakPolarHBondContact O-CA 3.29Å; A203-A207 PolarHBondContact O-N 2.86Å; A203-A207 VanDerWaalsContact O-N 3.12Å; L204-A207 PolarHBondContact O-N 3.27Å; A207-V211 HydrophobicContact CB-CG2 3.5Å; A207-V211 VanDerWaalsContact CB-CG2 3.5Å
208	Q	95.3	Very high	98	Very high	157 Å²	157	37.8 Å²	37.8	73%	0.734	19%	0.194	S	C	*	.	S	Bend	trans	-84.9	-24.8	167.1	-63.7	-177.2	20.6	0	0	111.4	E150	E150-Q208 HydrophobicContact CG-CB 4.05Å; E150-Q208 HydrophobicContact CG-CG 4.08Å
209	R	95.2	Very high	98	Very high	43 Å²	43	35.6 Å²	35.6	16%	0.162	18%	0.18	C	C	.	.	S	Bend	trans	-82.8	141.1	175.7	-60.1	172.9	-164.7	-169.1	-2.4	109.6	E150 G154 N156 V211 S408 K409	E150-R209 WeakPolarHBondContact OE1-CG 3.48Å; E150-R209 IonicContact OE1-CZ 3.84Å; E150-R209 IonicContact OE1-NE 2.69Å; E150-R209 PolarHBondContact OE1-NE 2.91Å; E150-R209 IonicContact OE1-NH2 3.52Å; E150-R209 IonicContact OE2-CZ 3.82Å; E150-R209 IonicContact OE2-NE 3.44Å; E150-R209 IonicContact OE2-NH2 3.71Å; E150-R209 PolarHBondContact OE2-NH2 3.04Å; G154-R209 PolarHBondContact O-NH1 3.12Å; N156-R209 HydrophobicContact CB-CB 4.36Å; R209-V211 PolarHBondContact O-N 2.66Å; R209-S408 PolarHBondContact NH1-O 3Å; R209-K409 PolarHBondContact NH1-O 3.05Å; R209-K409 PolarHBondContact NH2-O 3.39Å
210	P	97.4	Very high	98	Very high	104 Å²	104	35.5 Å²	35.5	68%	0.675	18%	0.179	S	C	*	.	P	Polyproline II helix	trans	-57.2	123.5	169.9	-22.6	33.2	0	0	0	110.5
211	V	98.2	Very high	98	Very high	26 Å²	26	35.5 Å²	35.5	16%	0.158	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-96.6	128.9	179	-179	0	0	0	0	109.3	N156 I158 L204 A207 R209 L213	N156-V211 CarbonylContact O-C 3.07Å; N156-V211 WeakPolarHBondContact O-CA 3.48Å; I158-V211 HydrophobicContact CD1-CG1 3.92Å; I158-V211 HydrophobicContact CG1-CG1 3.82Å; L204-V211 HydrophobicContact CD2-CB 3.37Å; L204-V211 HydrophobicContact CD2-CG1 3.77Å; L204-V211 HydrophobicContact CD2-CG2 3.84Å; A207-V211 HydrophobicContact CB-CG2 3.5Å; A207-V211 VanDerWaalsContact CB-CG2 3.5Å; R209-V211 PolarHBondContact O-N 2.66Å; V211-L213 HydrophobicContact CG1-CD2 4.48Å
212	S	97.8	Very high	97.9	Very high	11 Å²	11	35.6 Å²	35.6	8%	0.077	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.9	177.6	-64.8	0	0	0	0	110.9	K118 N156 I157 I158	K118-S212 WeakPolarHBondContact CE-OG 3.26Å; K118-S212 PolarHBondContact NZ-OG 3.27Å; N156-S212 PolarHBondContact O-N 3.16Å; I157-S212 VanDerWaalsContact CA-O 3.31Å; I157-S212 WeakPolarHBondContact CA-O 3.31Å; I158-S212 PolarHBondContact N-O 2.7Å
213	L	98.4	Very high	97.9	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	134.5	173.6	-50.5	-177.4	0	0	0	110.6	I158 I200 V211 L264 F266 W267 A268	I158-L213 HydrophobicContact CB-CD2 3.8Å; I158-L213 HydrophobicContact CD1-CD2 4.2Å; I158-L213 HydrophobicContact CG1-CD2 4.36Å; I158-L213 WeakPolarHBondContact O-CA 3.4Å; I200-L213 HydrophobicContact CG2-CD1 4.1Å; I200-L213 HydrophobicContact CG2-CD2 3.9Å; V211-L213 HydrophobicContact CG1-CD2 4.48Å; L213-L264 HydrophobicContact CD1-CB 4.03Å; L213-L264 HydrophobicContact CD1-CD2 4.22Å; L213-F266 HydrophobicContact CB-CD1 3.57Å; L213-F266 HydrophobicContact CB-CE1 3.72Å; L213-F266 HydrophobicContact CB-CG 4.19Å; L213-F266 HydrophobicContact CB-CZ 4.46Å; L213-F266 HydrophobicContact CD1-CZ 4.5Å; L213-W267 WeakPolarHBondContact O-CB 3.48Å; L213-W267 PolarHBondContact O-N 2.83Å; L213-A268 PolarHBondContact O-N 3.04Å
214	L	97.6	Very high	97.9	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.047	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.8	175.1	170.2	65.9	0	0	0	108.8	I158 R159 V160 W267 A268 T270 L318	I158-L214 PolarHBondContact O-N 3.01Å; R159-L214 CarbonylContact C-O 3.57Å; R159-L214 WeakPolarHBondContact CA-O 3.09Å; R159-L214 HydrophobicContact CG-CD2 4.27Å; R159-L214 HydrophobicContact CG-CG 4.32Å; V160-L214 PolarHBondContact N-O 3.4Å; L214-W267 HydrophobicContact CB-CE3 4.44Å; L214-A268 CarbonylContact C-O 3.56Å; L214-A268 WeakPolarHBondContact CA-O 3.29Å; L214-A268 HydrophobicContact CD1-CB 3.68Å; L214-T270 HydrophobicContact CD1-CG2 3.96Å; L214-L318 HydrophobicContact CD1-CD1 3.93Å
215	A	98.3	Very high	97.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	147.2	176.8	0	0	0	0	0	113	V160 M162 F255 F266 A268 V269 T270	V160-A215 WeakPolarHBondContact O-CA 3.39Å; M162-A215 HydrophobicContact CG-CB 3.95Å; M162-A215 HydrophobicContact SD-CB 4.13Å; A215-F255 HydrophobicContact CB-CD1 4.47Å; A215-F255 HydrophobicContact CB-CE1 3.42Å; A215-F255 VanDerWaalsContact CB-CE1 3.42Å; A215-F255 HydrophobicContact CB-CZ 3.76Å; A215-F266 HydrophobicContact CB-CD1 3.63Å; A215-F266 HydrophobicContact CB-CE1 3.42Å; A215-F266 VanDerWaalsContact CB-CE1 3.42Å; A215-F266 HydrophobicContact CB-CG 4.48Å; A215-F266 HydrophobicContact CB-CZ 4.12Å; A215-A268 PolarHBondContact N-O 2.99Å; A215-V269 HydrophobicContact CB-CG1 4.01Å; A215-V269 CarbonylContact O-C 3.43Å; A215-V269 VanDerWaalsContact O-CA 3.23Å; A215-V269 WeakPolarHBondContact O-CA 3.23Å; A215-T270 PolarHBondContact O-N 3.01Å
216	S	97.8	Very high	97.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	127.9	178	-58.6	0	0	0	0	110	R159 V160 M162 W218 T270 D321	R159-S216 PolarHBondContact NE-OG 3.15Å; R159-S216 PolarHBondContact NH2-OG 3.19Å; R159-S216 VanDerWaalsContact NH2-OG 3.12Å; V160-S216 PolarHBondContact O-N 2.96Å; M162-S216 PolarHBondContact N-O 3.45Å; S216-W218 VanDerWaalsContact O-CE3 3.26Å; S216-W218 WeakPolarHBondContact O-CZ3 3.49Å; S216-T270 WeakPolarHBondContact CA-OG1 3.37Å; S216-T270 WeakPolarHBondContact CB-OG1 3.26Å; S216-T270 WeakPolarHBondContact OG-CG2 3.31Å; S216-T270 PolarHBondContact OG-OG1 3.25Å; S216-D321 PolarHBondContact OG-OD2 3.02Å
217	P	98.6	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	149	170.5	32.3	-29.3	0	0	0	111.4	M162 W248 N273	M162-P217 HydrophobicContact CB-CB 4.06Å; M162-P217 HydrophobicContact SD-CB 4.04Å; M162-P217 HydrophobicContact SD-CG 4.07Å; P217-W248 HydrophobicContact CB-CH2 3.71Å; P217-W248 HydrophobicContact CB-CZ2 3.64Å; P217-W248 HydrophobicContact CG-CH2 4.29Å; P217-W248 HydrophobicContact CG-CZ2 3.74Å; P217-N273 WeakPolarHBondContact O-CB 3.42Å; P217-N273 PolarHBondContact O-N 3.4Å
218	W	98.1	Very high	97.3	Very high	11 Å²	11	33.4 Å²	33.4	4%	0.042	18%	0.181	C	C	.	.	S	Bend	trans	-105.1	-29.9	172.6	-86.2	-108.5	0	0	0	112.8	P161 C165 S216 E272 N273 Q286 C287 L288	P161-W218 VanDerWaalsContact CA-CZ3 3.43Å; P161-W218 HydrophobicContact CB-CE3 3.86Å; P161-W218 HydrophobicContact CB-CH2 3.76Å; P161-W218 HydrophobicContact CB-CZ3 3.28Å; P161-W218 HydrophobicContact CG-CH2 3.55Å; P161-W218 HydrophobicContact CG-CZ3 3.64Å; C165-W218 HydrophobicContact CB-CB 4.47Å; C165-W218 HydrophobicContact CB-CD2 3.38Å; C165-W218 HydrophobicContact CB-CE3 4Å; C165-W218 HydrophobicContact CB-CG 3.65Å; C165-W218 HydrophobicContact CB-CH2 4.26Å; C165-W218 HydrophobicContact CB-CZ2 3.68Å; C165-W218 HydrophobicContact CB-CZ3 4.45Å; S216-W218 VanDerWaalsContact O-CE3 3.26Å; S216-W218 WeakPolarHBondContact O-CZ3 3.49Å; W218-E272 VanDerWaalsContact C-OE1 3.23Å; W218-N273 HydrophobicContact CD2-CB 3.99Å; W218-N273 HydrophobicContact CE3-CB 4.27Å; W218-N273 HydrophobicContact CG-CB 4.18Å; W218-N273 PolarHBondContact NE1-ND2 2.84Å; W218-Q286 HydrophobicContact CB-CB 3.87Å; W218-Q286 CarbonylContact O-C 3.55Å; W218-C287 CarbonylContact O-C 3.47Å; W218-C287 WeakPolarHBondContact O-CA 3.48Å; W218-C287 PolarHBondContact O-N 2.89Å; W218-C287 VanDerWaalsContact O-N 3.13Å; W218-L288 PolarHBondContact O-N 3.25Å; W218-L288 VanDerWaalsContact O-N 3.16Å
219	T	98.5	Very high	97.2	Very high	5 Å²	5	27 Å²	27	3%	0.031	15%	0.154	C	C	.	.			trans	-153.4	147.3	176	-175.6	0	0	0	0	109.7	T173 K225 G230 Q286	T173-T219 HydrophobicContact CG2-CG2 4.25Å; T219-K225 PolarHBondContact OG1-NZ 3.1Å; T219-G230 PolarHBondContact OG1-O 3.31Å; T219-Q286 HydrophobicContact CG2-CB 3.81Å; T219-Q286 HydrophobicContact CG2-CG 3.79Å
220	S	98.6	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.152	C	C	.	.			trans	-75.3	166.9	163.8	70.9	0	0	0	0	111.3	T222 K225 W248	S220-T222 PolarHBondContact O-N 3.05Å; S220-K225 WeakPolarHBondContact OG-CG 3.44Å; S220-W248 VanDerWaalsContact CA-CZ3 3.47Å
221	P	98.8	Very high	96.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.136	C	C	.	.			trans	-46	140.3	160.7	-27.2	30.7	0	0	0	111.8	A175 W223 L224 Y251	A175-P221 HydrophobicContact CB-CG 3.99Å; A175-P221 WeakPolarHBondContact O-CB 3.18Å; P221-W223 VanDerWaalsContact C-N 3.27Å; P221-W223 HydrophobicContact CB-CD2 4.34Å; P221-W223 HydrophobicContact CB-CG 4.39Å; P221-W223 HydrophobicContact CB-CZ2 4.1Å; P221-W223 VanDerWaalsContact CB-NE1 3.26Å; P221-W223 HydrophobicContact CG-CZ2 4.36Å; P221-W223 PolarHBondContact O-N 2.9Å; P221-L224 HydrophobicContact CB-CD1 4.49Å; P221-L224 HydrophobicContact CG-CD1 4.31Å; P221-L224 WeakPolarHBondContact O-CB 3.28Å; P221-L224 PolarHBondContact O-N 3.35Å; P221-L224 VanDerWaalsContact O-N 3.11Å; P221-Y251 HydrophobicContact CG-CD2 4.15Å; P221-Y251 HydrophobicContact CG-CE2 3.88Å
222	T	98.3	Very high	96.7	Very high	51 Å²	51	22.4 Å²	22.4	31%	0.313	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-64.2	-32.5	-170.6	55.5	0	0	0	0	112.9	S220 L224 K225 G228	S220-T222 PolarHBondContact O-N 3.05Å; T222-L224 PolarHBondContact O-N 2.88Å; T222-K225 WeakPolarHBondContact O-CB 3.14Å; T222-K225 PolarHBondContact O-N 2.96Å; T222-G228 WeakPolarHBondContact CB-O 3.41Å; T222-G228 WeakPolarHBondContact O-CA 3.26Å
223	W	98.4	Very high	96.6	Very high	15 Å²	15	27.3 Å²	27.3	6%	0.057	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-66.9	-18.3	178.4	54.6	-94.3	0	0	0	113.5	A175 T177 D180 F181 P221 K237 T247	A175-W223 PolarHBondContact O-NE1 2.62Å; T177-W223 PolarHBondContact O-NE1 2.94Å; D180-W223 VanDerWaalsContact C-CH2 3.41Å; D180-W223 HydrophobicContact CB-CZ2 4.27Å; D180-W223 VanDerWaalsContact O-CH2 3.22Å; D180-W223 WeakPolarHBondContact O-CH2 3.48Å; F181-W223 HydrophobicContact CD1-CH2 4.45Å; F181-W223 AromaticContact CD1-CZ3 3.69Å; F181-W223 HydrophobicContact CD1-CZ3 3.69Å; F181-W223 HydrophobicContact CD2-CZ3 4.49Å; F181-W223 HydrophobicContact CE1-CE3 4.28Å; F181-W223 AromaticContact CE1-CZ3 3.73Å; F181-W223 HydrophobicContact CE1-CZ3 3.73Å; F181-W223 HydrophobicContact CG-CZ3 4.09Å; F181-W223 HydrophobicContact CZ-CE3 4.36Å; F181-W223 HydrophobicContact CZ-CZ3 4.15Å; P221-W223 VanDerWaalsContact C-N 3.27Å; P221-W223 HydrophobicContact CB-CD2 4.34Å; P221-W223 HydrophobicContact CB-CG 4.39Å; P221-W223 HydrophobicContact CB-CZ2 4.1Å; P221-W223 VanDerWaalsContact CB-NE1 3.26Å; P221-W223 HydrophobicContact CG-CZ2 4.36Å; P221-W223 PolarHBondContact O-N 2.9Å; W223-K237 WeakPolarHBondContact O-CE 3.36Å; W223-K237 PolarHBondContact O-NZ 2.73Å; W223-T247 HydrophobicContact CH2-CG2 3.82Å; W223-T247 HydrophobicContact CZ3-CG2 4.36Å
224	L	98.6	Very high	96.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-81.1	-11.7	170.4	-66.3	178.1	0	0	0	113.6	F181 P221 T222 L236 K237 Y244 T247 W248	F181-L224 HydrophobicContact CE1-CD2 4.26Å; P221-L224 HydrophobicContact CB-CD1 4.49Å; P221-L224 HydrophobicContact CG-CD1 4.31Å; P221-L224 WeakPolarHBondContact O-CB 3.28Å; P221-L224 PolarHBondContact O-N 3.35Å; P221-L224 VanDerWaalsContact O-N 3.11Å; T222-L224 PolarHBondContact O-N 2.88Å; L224-L236 HydrophobicContact CB-CD2 3.98Å; L224-L236 WeakPolarHBondContact O-CA 3.37Å; L224-K237 PolarHBondContact O-N 3.1Å; L224-Y244 HydrophobicContact CD2-CD1 3.81Å; L224-T247 HydrophobicContact CD1-CG2 4.27Å; L224-T247 HydrophobicContact CD2-CG2 4.15Å; L224-W248 HydrophobicContact CD1-CB 4.42Å; L224-W248 HydrophobicContact CD1-CE3 4.42Å
225	K	98.3	Very high	96.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-101.5	143.3	-171.5	-57.4	178.6	72.5	179.4	0	112	T219 S220 T222 R227 G228 A229 G230 G234 K237 C287 L288	T219-K225 PolarHBondContact OG1-NZ 3.1Å; S220-K225 WeakPolarHBondContact OG-CG 3.44Å; T222-K225 WeakPolarHBondContact O-CB 3.14Å; T222-K225 PolarHBondContact O-N 2.96Å; K225-R227 PolarHBondContact O-N 3.38Å; K225-G228 PolarHBondContact O-N 3.44Å; K225-G228 VanDerWaalsContact O-N 3.08Å; K225-A229 WeakPolarHBondContact CD-O 3.27Å; K225-A229 VanDerWaalsContact CE-O 3.25Å; K225-A229 WeakPolarHBondContact CE-O 3.49Å; K225-A229 PolarHBondContact NZ-O 2.94Å; K225-G230 PolarHBondContact NZ-O 3.23Å; K225-G234 WeakPolarHBondContact CE-O 3.32Å; K225-K237 WeakPolarHBondContact O-CE 3.45Å; K225-C287 PolarHBondContact NZ-O 3.18Å; K225-L288 HydrophobicContact CD-CD1 4.16Å; K225-L288 HydrophobicContact CG-CD1 3.99Å
226	T	96.7	Very high	96.4	Very high	78 Å²	78	28.6 Å²	28.6	48%	0.479	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-35.6	177.9	46.4	0	0	0	0	113.9	P235 K237	T226-P235 HydrophobicContact CG2-CG 4.23Å; T226-P235 PolarHBondContact N-O 3.1Å; T226-P235 VanDerWaalsContact OG1-CD 3.31Å; T226-P235 WeakPolarHBondContact OG1-CD 3.38Å; T226-P235 PolarHBondContact OG1-O 3Å; T226-K237 HydrophobicContact CG2-CG 4.26Å
227	R	90.2	Very high	96.4	Very high	144 Å²	144	31.4 Å²	31.4	54%	0.543	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-16.2	179.4	-173.4	174.3	179.8	-104.3	-8.4	114.3	K225 A229 N231 K233	K225-R227 PolarHBondContact O-N 3.38Å; R227-A229 VanDerWaalsContact C-N 3.26Å; R227-A229 HydrophobicContact CG-CB 4.12Å; R227-A229 VanDerWaalsContact NH1-CB 3.3Å; R227-A229 PolarHBondContact O-N 3.45Å; R227-N231 PolarHBondContact NH1-O 3.47Å; R227-N231 PolarHBondContact NH1-OD1 2.97Å; R227-K233 WeakPolarHBondContact CD-O 3.35Å
228	G	94.1	Very high	96.3	Very high	45 Å²	45	33.4 Å²	33.4	46%	0.464	19%	0.191	S	C	.	.	S	Bend	trans	67.8	21.9	-172.7	0	0	0	0	0	114.6	T222 K225	T222-G228 WeakPolarHBondContact CB-O 3.41Å; T222-G228 WeakPolarHBondContact O-CA 3.26Å; K225-G228 PolarHBondContact O-N 3.44Å; K225-G228 VanDerWaalsContact O-N 3.08Å
229	A	94.4	Very high	96.3	Very high	21 Å²	21	39.4 Å²	39.4	17%	0.174	22%	0.22	C	C	.	.	S	Bend	trans	-135.9	149.1	-176.6	0	0	0	0	0	112.4	K225 R227 N231	K225-A229 WeakPolarHBondContact CD-O 3.27Å; K225-A229 VanDerWaalsContact CE-O 3.25Å; K225-A229 WeakPolarHBondContact CE-O 3.49Å; K225-A229 PolarHBondContact NZ-O 2.94Å; R227-A229 VanDerWaalsContact C-N 3.26Å; R227-A229 HydrophobicContact CG-CB 4.12Å; R227-A229 VanDerWaalsContact NH1-CB 3.3Å; R227-A229 PolarHBondContact O-N 3.45Å; A229-N231 VanDerWaalsContact C-N 3.33Å; A229-N231 PolarHBondContact O-N 3.07Å
230	G	90.8	Very high	96.2	Very high	12 Å²	12	39.5 Å²	39.5	12%	0.124	22%	0.221	C	C	.	.	S	Bend	trans	-68.7	-28.1	-179.7	0	0	0	0	0	113.9	T219 K225 Q286 C287	T219-G230 PolarHBondContact OG1-O 3.31Å; K225-G230 PolarHBondContact NZ-O 3.23Å; G230-Q286 WeakPolarHBondContact O-CA 3.31Å; G230-C287 PolarHBondContact O-N 3.39Å; G230-C287 VanDerWaalsContact O-N 3.12Å
231	N	94.1	Very high	96	Very high	63 Å²	63	49.1 Å²	49.1	34%	0.337	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-117.8	175.3	-179	68.8	-5	0	0	0	113.2	R227 A229 P284 F285	R227-N231 PolarHBondContact NH1-O 3.47Å; R227-N231 PolarHBondContact NH1-OD1 2.97Å; A229-N231 VanDerWaalsContact C-N 3.33Å; A229-N231 PolarHBondContact O-N 3.07Å; N231-P284 PolarHBondContact ND2-O 3.29Å; N231-F285 WeakPolarHBondContact CA-O 3.03Å; N231-F285 VanDerWaalsContact CB-C 3.46Å; N231-F285 WeakPolarHBondContact CB-O 3.03Å
232	G	94.1	Very high	96	Very high	2 Å²	2	51 Å²	51	2%	0.021	27%	0.267	C	S	.	.	S	Bend	trans	70.9	178.8	-179.1	0	0	0	0	0	113.7	G234 Y283 C287	G232-G234 PolarHBondContact O-N 3.43Å; G232-G234 VanDerWaalsContact O-N 3.13Å; G232-Y283 WeakPolarHBondContact CA-O 3.41Å; G232-Y283 PolarHBondContact N-O 2.9Å; G232-C287 PolarHBondContact O-SG 3.36Å
233	K	96.5	Very high	96	Very high	114 Å²	114	52.8 Å²	52.8	50%	0.496	27%	0.274	S	S	.	.	S	Bend	trans	-57.9	117.7	179.9	-175	174.2	-177.1	172.3	0	111.3	R227 G278 L279 L280	R227-K233 WeakPolarHBondContact CD-O 3.35Å; K233-G278 VanDerWaalsContact CA-O 3.31Å; K233-G278 WeakPolarHBondContact CA-O 3.29Å; K233-L279 WeakPolarHBondContact CD-O 3.37Å; K233-L280 PolarHBondContact N-O 2.82Å; K233-L280 VanDerWaalsContact N-O 3.12Å
234	G	95	Very high	96	Very high	1 Å²	1	55 Å²	55	1%	0.01	28%	0.283	C	S	.	.			trans	-177.3	86.5	-175.2	0	0	0	0	0	113.2	K225 G232 G278	K225-G234 WeakPolarHBondContact CE-O 3.32Å; G232-G234 PolarHBondContact O-N 3.43Å; G232-G234 VanDerWaalsContact O-N 3.13Å; G234-G278 PolarHBondContact N-O 3.07Å; G234-G278 VanDerWaalsContact N-O 3.07Å
235	P	96.8	Very high	96	Very high	35 Å²	35	55 Å²	55	23%	0.227	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-67.9	171.8	167.5	31.6	-37.7	0	0	0	111.4	T226 G289	T226-P235 HydrophobicContact CG2-CG 4.23Å; T226-P235 PolarHBondContact N-O 3.1Å; T226-P235 VanDerWaalsContact OG1-CD 3.31Å; T226-P235 WeakPolarHBondContact OG1-CD 3.38Å; T226-P235 PolarHBondContact OG1-O 3Å; P235-G289 WeakPolarHBondContact CA-O 2.98Å; P235-G289 VanDerWaalsContact CB-O 3.26Å; P235-G289 WeakPolarHBondContact CB-O 3.48Å
236	L	98.1	Very high	96	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.021	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-55	147.6	167.1	-68.7	175.2	0	0	0	111.2	L224 W248 L288 F290	L224-L236 HydrophobicContact CB-CD2 3.98Å; L224-L236 WeakPolarHBondContact O-CA 3.37Å; L236-W248 HydrophobicContact CD1-CB 4.09Å; L236-W248 HydrophobicContact CD1-CG 4.09Å; L236-W248 HydrophobicContact CD2-CB 4.37Å; L236-W248 HydrophobicContact CD2-CG 4.36Å; L236-L288 HydrophobicContact CD2-CD1 4.02Å; L236-L288 HydrophobicContact CD2-CD2 4.04Å; L236-L288 HydrophobicContact CG-CD1 4.07Å; L236-L288 HydrophobicContact CG-CD2 4.09Å; L236-L288 HydrophobicContact CG-CG 4.47Å; L236-F290 HydrophobicContact CD1-CE1 4.13Å; L236-F290 HydrophobicContact CD1-CZ 3.9Å; L236-F290 HydrophobicContact CG-CZ 4.32Å
237	K	98.1	Very high	96.1	Very high	59 Å²	59	53.6 Å²	53.6	26%	0.257	27%	0.271	S	S	.	.	S	Bend	trans	-66.1	153.3	171	-70.8	174.4	-179.6	170.3	0	110.5	W223 L224 K225 T226 Y244 H245	W223-K237 WeakPolarHBondContact O-CE 3.36Å; W223-K237 PolarHBondContact O-NZ 2.73Å; L224-K237 PolarHBondContact O-N 3.1Å; K225-K237 WeakPolarHBondContact O-CE 3.45Å; T226-K237 HydrophobicContact CG2-CG 4.26Å; K237-Y244 HydrophobicContact CB-CD1 3.8Å; K237-Y244 HydrophobicContact CB-CD2 3.71Å; K237-Y244 HydrophobicContact CB-CE1 3.93Å; K237-Y244 HydrophobicContact CB-CE2 3.82Å; K237-Y244 HydrophobicContact CB-CG 3.71Å; K237-Y244 HydrophobicContact CD-CD1 4.12Å; K237-Y244 HydrophobicContact CD-CE1 3.59Å; K237-Y244 HydrophobicContact CG-CE1 4.4Å; K237-Y244 WeakPolarHBondContact O-CB 3.3Å; K237-H245 PolarHBondContact O-CE1 3.35Å
238	G	96.6	Very high	96.5	Very high	41 Å²	41	46.8 Å²	46.8	42%	0.423	25%	0.245	S	C	.	.	S	Bend	trans	67.2	-141	172.7	0	0	0	0	0	113.8	D242	G238-D242 WeakPolarHBondContact CA-OD2 3.4Å
239	Q	96.6	Very high	96.7	Very high	137 Å²	137	44.6 Å²	44.6	64%	0.64	22%	0.223	S	C	*	.			trans	-139.5	150.1	-172	-64.6	-62.2	-34.6	0	0	111.9	R241 D242 H245	Q239-R241 PolarHBondContact O-N 3.3Å; Q239-D242 PolarHBondContact N-OD2 2.91Å; Q239-D242 WeakPolarHBondContact O-CB 3.42Å; Q239-D242 PolarHBondContact O-N 3.31Å; Q239-H245 PolarHBondContact N-CE1 2.89Å; Q239-H245 PolarHBondContact O-ND1 3.15Å; Q239-H245 VanDerWaalsContact O-ND1 3.1Å
240	P	97.2	Very high	96.9	Very high	8 Å²	8	47.5 Å²	47.5	5%	0.052	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	140.3	175.4	-31.1	38.4	0	0	0	112.9	D297 D302	P240-D297 HydrophobicContact CB-CB 3.82Å; P240-D297 HydrophobicContact CG-CB 3.65Å; P240-D302 WeakPolarHBondContact CA-OD2 3.45Å
241	R	94.8	Very high	97.3	Very high	201 Å²	201	47 Å²	47	76%	0.758	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.3	-9.4	-166.7	-160.1	176.7	175.3	174.3	0.5	116.4	Q239 R301 D302	Q239-R241 PolarHBondContact O-N 3.3Å; R241-R301 HydrophobicContact CB-CB 4.4Å; R241-D302 WeakPolarHBondContact CA-OD1 3.2Å; R241-D302 PolarHBondContact N-OD1 2.94Å; R241-D302 PolarHBondContact N-OD2 3.47Å
242	D	97.9	Very high	97.5	Very high	41 Å²	41	44 Å²	44	22%	0.219	21%	0.207	C	C	.	.	S	Bend	trans	-83.6	-178.9	178.2	78.4	7.2	0	0	0	113.9	G238 Q239 Y244 H245 Q246	G238-D242 WeakPolarHBondContact CA-OD2 3.4Å; Q239-D242 PolarHBondContact N-OD2 2.91Å; Q239-D242 WeakPolarHBondContact O-CB 3.42Å; Q239-D242 PolarHBondContact O-N 3.31Å; D242-Y244 VanDerWaalsContact C-N 3.28Å; D242-Y244 PolarHBondContact O-N 3.38Å; D242-Y244 WeakPolarHBondContact OD1-CA 3.11Å; D242-Y244 WeakPolarHBondContact OD1-CB 3.5Å; D242-Y244 PolarHBondContact OD1-N 3.41Å; D242-Y244 WeakPolarHBondContact OD2-CD2 3.36Å; D242-H245 PolarHBondContact O-N 3.44Å; D242-H245 IonicContact OD1-CE1 2.77Å; D242-H245 IonicContact OD1-CG 3.01Å; D242-H245 PolarHBondContact OD1-N 3.06Å; D242-H245 IonicContact OD1-ND1 3.83Å; D242-H245 PolarHBondContact OD1-ND1 3.42Å; D242-H245 IonicContact OD2-ND1 3.79Å; D242-Q246 VanDerWaalsContact O-CB 3.26Å; D242-Q246 WeakPolarHBondContact O-CB 3.36Å; D242-Q246 VanDerWaalsContact O-CG 3.25Å; D242-Q246 WeakPolarHBondContact O-CG 3.15Å; D242-Q246 PolarHBondContact O-N 3.31Å
243	I	98.3	Very high	97.7	Very high	87 Å²	87	44.9 Å²	44.9	45%	0.446	21%	0.212	S	C	.	.	H	α-helix	trans	-61.3	-33.9	-179.6	-164.4	175.1	0	0	0	112.8	F181 T247	F181-I243 HydrophobicContact CB-CD1 3.95Å; F181-I243 HydrophobicContact CB-CG1 4.3Å; F181-I243 HydrophobicContact CD1-CD1 3.66Å; F181-I243 HydrophobicContact CD1-CG1 3.61Å; F181-I243 HydrophobicContact CD1-CG2 4.36Å; F181-I243 HydrophobicContact CD2-CD1 4.17Å; F181-I243 HydrophobicContact CE1-CD1 4.16Å; F181-I243 HydrophobicContact CE1-CG1 4.16Å; F181-I243 HydrophobicContact CE1-CG2 4.02Å; F181-I243 HydrophobicContact CG-CD1 3.66Å; F181-I243 HydrophobicContact CG-CG1 4.07Å; I243-T247 WeakPolarHBondContact O-CB 3.33Å; I243-T247 PolarHBondContact O-N 3.35Å; I243-T247 PolarHBondContact O-OG1 2.63Å
244	Y	98.6	Very high	97.8	Very high	62 Å²	62	43.7 Å²	43.7	24%	0.243	21%	0.207	C	C	.	.	H	α-helix	trans	-71.9	-45.4	-177.7	-59.9	-76.9	0	0	0	111	F181 L224 K237 D242 T247 W248	F181-Y244 AromaticContact CE1-CD1 3.71Å; F181-Y244 HydrophobicContact CE1-CD1 3.71Å; F181-Y244 AromaticContact CE1-CE1 3.62Å; F181-Y244 HydrophobicContact CE1-CE1 3.62Å; F181-Y244 HydrophobicContact CZ-CD1 4.26Å; F181-Y244 AromaticContact CZ-CE1 3.69Å; F181-Y244 HydrophobicContact CZ-CE1 3.69Å; L224-Y244 HydrophobicContact CD2-CD1 3.81Å; K237-Y244 HydrophobicContact CB-CD1 3.8Å; K237-Y244 HydrophobicContact CB-CD2 3.71Å; K237-Y244 HydrophobicContact CB-CE1 3.93Å; K237-Y244 HydrophobicContact CB-CE2 3.82Å; K237-Y244 HydrophobicContact CB-CG 3.71Å; K237-Y244 HydrophobicContact CD-CD1 4.12Å; K237-Y244 HydrophobicContact CD-CE1 3.59Å; K237-Y244 HydrophobicContact CG-CE1 4.4Å; K237-Y244 WeakPolarHBondContact O-CB 3.3Å; D242-Y244 VanDerWaalsContact C-N 3.28Å; D242-Y244 PolarHBondContact O-N 3.38Å; D242-Y244 WeakPolarHBondContact OD1-CA 3.11Å; D242-Y244 WeakPolarHBondContact OD1-CB 3.5Å; D242-Y244 PolarHBondContact OD1-N 3.41Å; D242-Y244 WeakPolarHBondContact OD2-CD2 3.36Å; Y244-T247 PolarHBondContact O-N 3.41Å; Y244-W248 PolarHBondContact O-N 2.83Å
245	H	98.7	Very high	97.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-71.4	-41.6	-179.2	-65.9	74.8	0	0	0	111.7	K237 Q239 D242 T247 W248 A249 H294 F298 D302	K237-H245 PolarHBondContact O-CE1 3.35Å; Q239-H245 PolarHBondContact N-CE1 2.89Å; Q239-H245 PolarHBondContact O-ND1 3.15Å; Q239-H245 VanDerWaalsContact O-ND1 3.1Å; D242-H245 PolarHBondContact O-N 3.44Å; D242-H245 IonicContact OD1-CE1 2.77Å; D242-H245 IonicContact OD1-CG 3.01Å; D242-H245 PolarHBondContact OD1-N 3.06Å; D242-H245 IonicContact OD1-ND1 3.83Å; D242-H245 PolarHBondContact OD1-ND1 3.42Å; D242-H245 IonicContact OD2-ND1 3.79Å; H245-T247 VanDerWaalsContact C-N 3.34Å; H245-T247 PolarHBondContact O-N 3.45Å; H245-W248 PolarHBondContact O-N 3.01Å; H245-A249 PolarHBondContact O-N 2.84Å; H245-H294 AromaticContact CD2-NE2 3.67Å; H245-H294 AromaticContact CE1-NE2 3.87Å; H245-H294 AromaticContact NE2-CD2 3.84Å; H245-H294 AromaticContact NE2-CE1 3.68Å; H245-H294 AromaticContact NE2-NE2 2.81Å; H245-H294 PolarHBondContact NE2-NE2 3.19Å; H245-F298 HydrophobicContact CB-CD2 4.22Å; H245-D302 HydrophobicContact CB-CB 4.33Å; H245-D302 WeakPolarHBondContact CB-OD2 3.37Å
246	Q	98.3	Very high	98	Very high	49 Å²	49	42.1 Å²	42.1	23%	0.229	20%	0.197	C	C	.	.	H	α-helix	trans	-63.6	-40.4	174.5	-73.6	-68.5	-15.7	0	0	111.8	D242 A249 R250 R301 D302	D242-Q246 VanDerWaalsContact O-CB 3.26Å; D242-Q246 WeakPolarHBondContact O-CB 3.36Å; D242-Q246 VanDerWaalsContact O-CG 3.25Å; D242-Q246 WeakPolarHBondContact O-CG 3.15Å; D242-Q246 PolarHBondContact O-N 3.31Å; Q246-A249 PolarHBondContact O-N 2.79Å; Q246-R250 WeakPolarHBondContact O-CG 3.45Å; Q246-R250 PolarHBondContact O-N 3.04Å; Q246-R250 PolarHBondContact O-NH1 3.43Å; Q246-R301 PolarHBondContact NE2-O 2.99Å; Q246-D302 WeakPolarHBondContact CG-OD1 3.2Å; Q246-D302 PolarHBondContact NE2-OD1 2.96Å
247	T	98.8	Very high	98	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-40	174.2	-65.9	0	0	0	0	111.7	F181 L183 W223 L224 I243 Y244 H245 R250 Y251	F181-T247 PolarHBondContact O-OG1 3.03Å; L183-T247 HydrophobicContact CD1-CG2 4.36Å; L183-T247 HydrophobicContact CD2-CG2 3.97Å; L183-T247 HydrophobicContact CG-CG2 4.12Å; W223-T247 HydrophobicContact CH2-CG2 3.82Å; W223-T247 HydrophobicContact CZ3-CG2 4.36Å; L224-T247 HydrophobicContact CD1-CG2 4.27Å; L224-T247 HydrophobicContact CD2-CG2 4.15Å; I243-T247 WeakPolarHBondContact O-CB 3.33Å; I243-T247 PolarHBondContact O-N 3.35Å; I243-T247 PolarHBondContact O-OG1 2.63Å; Y244-T247 PolarHBondContact O-N 3.41Å; H245-T247 VanDerWaalsContact C-N 3.34Å; H245-T247 PolarHBondContact O-N 3.45Å; T247-R250 PolarHBondContact O-N 3Å; T247-R250 PolarHBondContact OG1-NH2 2.96Å; T247-Y251 WeakPolarHBondContact O-CB 3.37Å; T247-Y251 PolarHBondContact O-N 2.92Å
248	W	98.8	Very high	98.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.8	-40.7	175.2	-176.5	-128.8	0	0	0	112.9	P217 S220 L224 L236 Y244 H245 Y251 I252 L288 F298	P217-W248 HydrophobicContact CB-CH2 3.71Å; P217-W248 HydrophobicContact CB-CZ2 3.64Å; P217-W248 HydrophobicContact CG-CH2 4.29Å; P217-W248 HydrophobicContact CG-CZ2 3.74Å; S220-W248 VanDerWaalsContact CA-CZ3 3.47Å; L224-W248 HydrophobicContact CD1-CB 4.42Å; L224-W248 HydrophobicContact CD1-CE3 4.42Å; L236-W248 HydrophobicContact CD1-CB 4.09Å; L236-W248 HydrophobicContact CD1-CG 4.09Å; L236-W248 HydrophobicContact CD2-CB 4.37Å; L236-W248 HydrophobicContact CD2-CG 4.36Å; Y244-W248 PolarHBondContact O-N 2.83Å; H245-W248 PolarHBondContact O-N 3.01Å; W248-Y251 AromaticContact CE3-CD1 3.82Å; W248-Y251 HydrophobicContact CE3-CD1 3.82Å; W248-Y251 HydrophobicContact CE3-CE1 4.5Å; W248-Y251 AromaticContact CE3-CG 3.84Å; W248-Y251 HydrophobicContact CE3-CG 3.84Å; W248-Y251 AromaticContact CH2-CD1 3.91Å; W248-Y251 HydrophobicContact CH2-CD1 3.91Å; W248-Y251 AromaticContact CH2-CE1 3.95Å; W248-Y251 HydrophobicContact CH2-CE1 3.95Å; W248-Y251 AromaticContact CZ3-CD1 3.22Å; W248-Y251 HydrophobicContact CZ3-CD1 3.22Å; W248-Y251 HydrophobicContact CZ3-CD2 4.23Å; W248-Y251 AromaticContact CZ3-CE1 3.5Å; W248-Y251 HydrophobicContact CZ3-CE1 3.5Å; W248-Y251 HydrophobicContact CZ3-CE2 4.43Å; W248-Y251 AromaticContact CZ3-CG 3.63Å; W248-Y251 HydrophobicContact CZ3-CG 3.63Å; W248-Y251 WeakPolarHBondContact O-CB 3.34Å; W248-Y251 PolarHBondContact O-N 2.95Å; W248-I252 PolarHBondContact O-N 3.29Å; W248-L288 HydrophobicContact CZ2-CD2 4.13Å; W248-F298 AromaticContact CD1-CE1 3.88Å; W248-F298 AromaticContact CD1-CE2 3.78Å; W248-F298 AromaticContact CD1-CZ 3.27Å; W248-F298 HydrophobicContact CG-CZ 4.19Å; W248-F298 AromaticContact NE1-CZ 3.9Å
249	A	98.3	Very high	98.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.5	-44	172.9	0	0	0	0	0	112	H245 Q246 Y251 I252 V253 F298 D302 L303 T306	H245-A249 PolarHBondContact O-N 2.84Å; Q246-A249 PolarHBondContact O-N 2.79Å; A249-Y251 VanDerWaalsContact C-N 3.32Å; A249-Y251 PolarHBondContact O-N 3.2Å; A249-I252 PolarHBondContact O-N 3.48Å; A249-V253 PolarHBondContact O-N 2.91Å; A249-F298 HydrophobicContact CB-CE2 4.25Å; A249-D302 HydrophobicContact CB-CB 4.11Å; A249-L303 HydrophobicContact CB-CD1 4.42Å; A249-T306 HydrophobicContact CB-CG2 4.17Å
250	R	98.4	Very high	98.3	Very high	81 Å²	81	35.7 Å²	35.7	31%	0.306	17%	0.167	S	C	.	.	H	α-helix	trans	-65.1	-32.8	175	-71.9	-165.7	-55	-77.8	-0.4	113.1	F181 L183 Q246 T247 I252 V253 K254 T306	F181-R250 PolarHBondContact O-NH2 2.83Å; L183-R250 HydrophobicContact CD1-CB 3.93Å; Q246-R250 WeakPolarHBondContact O-CG 3.45Å; Q246-R250 PolarHBondContact O-N 3.04Å; Q246-R250 PolarHBondContact O-NH1 3.43Å; T247-R250 PolarHBondContact O-N 3Å; T247-R250 PolarHBondContact OG1-NH2 2.96Å; R250-I252 VanDerWaalsContact C-N 3.28Å; R250-I252 PolarHBondContact O-N 2.91Å; R250-V253 PolarHBondContact O-N 2.92Å; R250-K254 WeakPolarHBondContact O-CB 3.11Å; R250-K254 WeakPolarHBondContact O-CG 3.41Å; R250-K254 PolarHBondContact O-N 2.91Å; R250-T306 HydrophobicContact CG-CG2 4.19Å
251	Y	98.8	Very high	98.3	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-41.5	174.4	178.9	-77.9	0	0	0	111.1	M162 Y174 A175 L183 F186 P221 T247 W248 A249 K254 F255	M162-Y251 HydrophobicContact CE-CD1 4.44Å; M162-Y251 HydrophobicContact CE-CE1 4.37Å; Y174-Y251 WeakPolarHBondContact CB-OH 3.23Å; Y174-Y251 AromaticContact CD2-CE1 3.84Å; Y174-Y251 HydrophobicContact CD2-CE1 3.84Å; Y174-Y251 HydrophobicContact CD2-CE2 4.36Å; Y174-Y251 AromaticContact CD2-CZ 3.51Å; Y174-Y251 WeakPolarHBondContact CD2-OH 3.48Å; Y174-Y251 AromaticContact CG-CZ 3.96Å; Y174-Y251 PolarHBondContact N-OH 3.04Å; A175-Y251 HydrophobicContact CB-CD2 4.13Å; A175-Y251 HydrophobicContact CB-CE2 3.97Å; L183-Y251 HydrophobicContact CD2-CD2 4.28Å; F186-Y251 AromaticContact CD2-CD2 3.85Å; F186-Y251 HydrophobicContact CD2-CD2 3.85Å; F186-Y251 HydrophobicContact CD2-CE2 4Å; F186-Y251 HydrophobicContact CD2-CG 4.46Å; F186-Y251 HydrophobicContact CE2-CD1 4.31Å; F186-Y251 AromaticContact CE2-CD2 3.73Å; F186-Y251 HydrophobicContact CE2-CD2 3.73Å; F186-Y251 HydrophobicContact CE2-CE1 4.31Å; F186-Y251 AromaticContact CE2-CE2 3.74Å; F186-Y251 HydrophobicContact CE2-CE2 3.74Å; F186-Y251 HydrophobicContact CE2-CG 4.03Å; P221-Y251 HydrophobicContact CG-CD2 4.15Å; P221-Y251 HydrophobicContact CG-CE2 3.88Å; T247-Y251 WeakPolarHBondContact O-CB 3.37Å; T247-Y251 PolarHBondContact O-N 2.92Å; W248-Y251 AromaticContact CE3-CD1 3.82Å; W248-Y251 HydrophobicContact CE3-CD1 3.82Å; W248-Y251 HydrophobicContact CE3-CE1 4.5Å; W248-Y251 AromaticContact CE3-CG 3.84Å; W248-Y251 HydrophobicContact CE3-CG 3.84Å; W248-Y251 AromaticContact CH2-CD1 3.91Å; W248-Y251 HydrophobicContact CH2-CD1 3.91Å; W248-Y251 AromaticContact CH2-CE1 3.95Å; W248-Y251 HydrophobicContact CH2-CE1 3.95Å; W248-Y251 AromaticContact CZ3-CD1 3.22Å; W248-Y251 HydrophobicContact CZ3-CD1 3.22Å; W248-Y251 HydrophobicContact CZ3-CD2 4.23Å; W248-Y251 AromaticContact CZ3-CE1 3.5Å; W248-Y251 HydrophobicContact CZ3-CE1 3.5Å; W248-Y251 HydrophobicContact CZ3-CE2 4.43Å; W248-Y251 AromaticContact CZ3-CG 3.63Å; W248-Y251 HydrophobicContact CZ3-CG 3.63Å; W248-Y251 WeakPolarHBondContact O-CB 3.34Å; W248-Y251 PolarHBondContact O-N 2.95Å; A249-Y251 VanDerWaalsContact C-N 3.32Å; A249-Y251 PolarHBondContact O-N 3.2Å; Y251-K254 PolarHBondContact O-N 2.98Å; Y251-F255 PolarHBondContact O-N 3.44Å
252	I	98.6	Very high	98.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-65	-40.8	176.7	-66.1	166.1	0	0	0	110.9	M162 W248 A249 R250 F255 L256 L303 L307	M162-I252 HydrophobicContact CE-CB 4.12Å; M162-I252 HydrophobicContact CE-CG1 3.8Å; M162-I252 HydrophobicContact CE-CG2 4.15Å; W248-I252 PolarHBondContact O-N 3.29Å; A249-I252 PolarHBondContact O-N 3.48Å; R250-I252 VanDerWaalsContact C-N 3.28Å; R250-I252 PolarHBondContact O-N 2.91Å; I252-F255 WeakPolarHBondContact O-CB 3.33Å; I252-F255 PolarHBondContact O-N 3.4Å; I252-L256 WeakPolarHBondContact O-CG 3.31Å; I252-L256 PolarHBondContact O-N 2.82Å; I252-L303 HydrophobicContact CB-CD1 4.19Å; I252-L303 HydrophobicContact CD1-CD1 3.63Å; I252-L303 HydrophobicContact CD1-CD2 4.07Å; I252-L303 HydrophobicContact CG1-CD1 4.5Å; I252-L303 HydrophobicContact CG2-CD1 4.19Å; I252-L307 HydrophobicContact CG2-CD2 4.49Å
253	V	98	Very high	98.5	Very high	20 Å²	20	43.2 Å²	43.2	12%	0.121	21%	0.206	C	C	.	.	H	α-helix	trans	-65.2	-44.7	174.6	174.2	0	0	0	0	112	A249 R250 F255 L256 D257 T306 L307	A249-V253 PolarHBondContact O-N 2.91Å; R250-V253 PolarHBondContact O-N 2.92Å; V253-F255 PolarHBondContact O-N 3.38Å; V253-L256 WeakPolarHBondContact O-CA 3.41Å; V253-L256 WeakPolarHBondContact O-CB 3.22Å; V253-L256 PolarHBondContact O-N 3.1Å; V253-D257 PolarHBondContact O-N 3.34Å; V253-T306 HydrophobicContact CG2-CG2 3.82Å; V253-L307 HydrophobicContact CG2-CD2 4.15Å
254	K	98.4	Very high	98.6	Very high	90 Å²	90	39.2 Å²	39.2	39%	0.391	19%	0.185	S	C	.	.	H	α-helix	trans	-58.3	-36	175.8	-78.8	-73.9	-171.4	175.5	0	112.6	L183 F186 R250 Y251 A258	L183-K254 HydrophobicContact CD1-CG 4.17Å; F186-K254 HydrophobicContact CD1-CB 3.95Å; F186-K254 HydrophobicContact CD2-CB 3.8Å; F186-K254 HydrophobicContact CE1-CB 3.94Å; F186-K254 WeakPolarHBondContact CE1-O 3.4Å; F186-K254 HydrophobicContact CE2-CB 3.75Å; F186-K254 HydrophobicContact CG-CB 3.91Å; F186-K254 HydrophobicContact CG-CG 4.46Å; F186-K254 HydrophobicContact CZ-CB 3.85Å; R250-K254 WeakPolarHBondContact O-CB 3.11Å; R250-K254 WeakPolarHBondContact O-CG 3.41Å; R250-K254 PolarHBondContact O-N 2.91Å; Y251-K254 PolarHBondContact O-N 2.98Å; K254-A258 WeakPolarHBondContact O-CB 3.38Å; K254-A258 PolarHBondContact O-N 3.26Å
255	F	98.8	Very high	98.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-45.8	171.8	163.2	-96.4	0	0	0	112.2	M162 Y174 F186 A215 Y251 I252 V253 A258 Y259 F266	M162-F255 HydrophobicContact CB-CD2 4.44Å; M162-F255 HydrophobicContact CB-CE2 4.39Å; M162-F255 HydrophobicContact CE-CB 3.61Å; M162-F255 HydrophobicContact CE-CD1 3.54Å; M162-F255 HydrophobicContact CE-CD2 4.29Å; M162-F255 HydrophobicContact CE-CE1 4.29Å; M162-F255 HydrophobicContact CE-CG 3.54Å; M162-F255 HydrophobicContact CG-CD1 4.01Å; M162-F255 HydrophobicContact CG-CD2 4.12Å; M162-F255 HydrophobicContact CG-CE1 3.84Å; M162-F255 HydrophobicContact CG-CE2 3.89Å; M162-F255 HydrophobicContact CG-CG 4.14Å; M162-F255 HydrophobicContact CG-CZ 3.75Å; M162-F255 HydrophobicContact SD-CD1 4.05Å; M162-F255 HydrophobicContact SD-CE1 4.22Å; M162-F255 HydrophobicContact SD-CG 4.45Å; Y174-F255 HydrophobicContact CD2-CD2 4.3Å; Y174-F255 HydrophobicContact CE2-CB 4.48Å; Y174-F255 AromaticContact CE2-CD2 3.46Å; Y174-F255 HydrophobicContact CE2-CD2 3.46Å; Y174-F255 VanDerWaalsContact CE2-CD2 3.46Å; Y174-F255 HydrophobicContact CE2-CE2 4.1Å; Y174-F255 HydrophobicContact CE2-CG 4.34Å; F186-F255 HydrophobicContact CZ-CB 4.02Å; A215-F255 HydrophobicContact CB-CD1 4.47Å; A215-F255 HydrophobicContact CB-CE1 3.42Å; A215-F255 VanDerWaalsContact CB-CE1 3.42Å; A215-F255 HydrophobicContact CB-CZ 3.76Å; Y251-F255 PolarHBondContact O-N 3.44Å; I252-F255 WeakPolarHBondContact O-CB 3.33Å; I252-F255 PolarHBondContact O-N 3.4Å; V253-F255 PolarHBondContact O-N 3.38Å; F255-A258 PolarHBondContact O-N 3.42Å; F255-Y259 AromaticContact CD2-CD2 3.82Å; F255-Y259 HydrophobicContact CD2-CD2 3.82Å; F255-Y259 AromaticContact CD2-CE2 3.86Å; F255-Y259 HydrophobicContact CD2-CE2 3.86Å; F255-Y259 AromaticContact CE2-CD2 3.46Å; F255-Y259 HydrophobicContact CE2-CD2 3.46Å; F255-Y259 VanDerWaalsContact CE2-CD2 3.46Å; F255-Y259 AromaticContact CE2-CE2 3.24Å; F255-Y259 HydrophobicContact CE2-CE2 3.24Å; F255-Y259 HydrophobicContact CE2-CG 4.26Å; F255-Y259 AromaticContact CE2-CZ 3.86Å; F255-Y259 AromaticContact CZ-CD2 3.96Å; F255-Y259 HydrophobicContact CZ-CD2 3.96Å; F255-Y259 AromaticContact CZ-CE2 3.95Å; F255-Y259 HydrophobicContact CZ-CE2 3.95Å; F255-Y259 HydrophobicContact CZ-CG 4.32Å; F255-Y259 PolarHBondContact O-N 3.06Å; F255-F266 HydrophobicContact CE1-CD2 4.2Å; F255-F266 HydrophobicContact CE1-CE1 4.14Å; F255-F266 AromaticContact CE1-CE2 3.63Å; F255-F266 HydrophobicContact CE1-CE2 3.63Å; F255-F266 AromaticContact CE1-CZ 3.62Å; F255-F266 HydrophobicContact CE1-CZ 3.62Å; F255-F266 HydrophobicContact CZ-CE1 4.09Å; F255-F266 AromaticContact CZ-CE2 3.76Å; F255-F266 HydrophobicContact CZ-CE2 3.76Å; F255-F266 AromaticContact CZ-CZ 3.4Å; F255-F266 HydrophobicContact CZ-CZ 3.4Å
256	L	98.6	Very high	98.5	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-40.7	177.7	-64.1	172	0	0	0	111.4	I252 V253 A260 F266 V269 L307 H312 V315	I252-L256 WeakPolarHBondContact O-CG 3.31Å; I252-L256 PolarHBondContact O-N 2.82Å; V253-L256 WeakPolarHBondContact O-CA 3.41Å; V253-L256 WeakPolarHBondContact O-CB 3.22Å; V253-L256 PolarHBondContact O-N 3.1Å; L256-A260 VanDerWaalsContact O-CB 3.27Å; L256-A260 WeakPolarHBondContact O-CB 3.42Å; L256-A260 PolarHBondContact O-N 2.83Å; L256-F266 HydrophobicContact CD2-CB 3.87Å; L256-F266 HydrophobicContact CD2-CD2 3.55Å; L256-F266 HydrophobicContact CD2-CE2 4.36Å; L256-F266 HydrophobicContact CD2-CG 3.84Å; L256-V269 HydrophobicContact CD2-CG1 4.1Å; L256-L307 HydrophobicContact CD1-CD2 3.79Å; L256-H312 HydrophobicContact CB-CB 4.45Å; L256-H312 HydrophobicContact CD1-CB 3.8Å; L256-V315 HydrophobicContact CD1-CG1 4.47Å; L256-V315 HydrophobicContact CD1-CG2 4.27Å
257	D	98.3	Very high	98.4	Very high	52 Å²	52	46.3 Å²	46.3	28%	0.278	22%	0.217	S	C	.	.	H	α-helix	trans	-57.5	-52.5	173	-67.6	-28.6	0	0	0	110.8	V253 Y259 A260 E261 H312	V253-D257 PolarHBondContact O-N 3.34Å; D257-Y259 PolarHBondContact O-N 3.34Å; D257-A260 WeakPolarHBondContact O-CA 3.38Å; D257-A260 WeakPolarHBondContact O-CB 3.15Å; D257-A260 PolarHBondContact O-N 3.06Å; D257-E261 PolarHBondContact O-N 3.36Å; D257-H312 PolarHBondContact N-NE2 3.5Å; D257-H312 IonicContact OD1-CD2 2.98Å; D257-H312 PolarHBondContact OD1-CD2 2.95Å; D257-H312 IonicContact OD1-CE1 3.28Å; D257-H312 IonicContact OD1-NE2 3.55Å; D257-H312 PolarHBondContact OD1-NE2 3.15Å
258	A	98.7	Very high	98.2	Very high	12 Å²	12	46.3 Å²	46.3	10%	0.099	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-41.4	-177.2	0	0	0	0	0	112.3	F186 L188 K254 F255 A260 E261 H262	F186-A258 HydrophobicContact CE1-CB 4.09Å; L188-A258 HydrophobicContact CD1-CB 3.68Å; L188-A258 HydrophobicContact CD2-CB 4.26Å; L188-A258 HydrophobicContact CG-CB 3.79Å; K254-A258 WeakPolarHBondContact O-CB 3.38Å; K254-A258 PolarHBondContact O-N 3.26Å; F255-A258 PolarHBondContact O-N 3.42Å; A258-A260 VanDerWaalsContact C-N 3.33Å; A258-A260 PolarHBondContact O-N 3.1Å; A258-E261 WeakPolarHBondContact O-CB 3.39Å; A258-E261 PolarHBondContact O-N 3.15Å; A258-H262 PolarHBondContact O-CD2 2.75Å; A258-H262 VanDerWaalsContact O-CD2 3.25Å; A258-H262 PolarHBondContact O-N 2.75Å
259	Y	98.8	Very high	98	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69.3	-30.8	174.4	-93.1	-112.9	0	0	0	112.8	V160 L188 D192 K196 I197 I200 F255 D257 H262 K263 L264 F266	V160-Y259 HydrophobicContact CG1-CE1 4.11Å; L188-Y259 HydrophobicContact CD1-CD2 3.79Å; L188-Y259 HydrophobicContact CD1-CE2 3.85Å; L188-Y259 HydrophobicContact CD2-CD2 4.25Å; L188-Y259 HydrophobicContact CD2-CE2 3.94Å; D192-Y259 PolarHBondContact OD1-OH 3.34Å; K196-Y259 WeakPolarHBondContact CE-OH 3.28Å; I197-Y259 HydrophobicContact CD1-CD1 4.47Å; I197-Y259 HydrophobicContact CD1-CD2 4.5Å; I197-Y259 HydrophobicContact CD1-CE1 4.19Å; I197-Y259 HydrophobicContact CD1-CE2 4.19Å; I197-Y259 HydrophobicContact CG1-CD1 4.28Å; I197-Y259 HydrophobicContact CG1-CE1 3.73Å; I200-Y259 HydrophobicContact CD1-CE1 4.42Å; F255-Y259 AromaticContact CD2-CD2 3.82Å; F255-Y259 HydrophobicContact CD2-CD2 3.82Å; F255-Y259 AromaticContact CD2-CE2 3.86Å; F255-Y259 HydrophobicContact CD2-CE2 3.86Å; F255-Y259 AromaticContact CE2-CD2 3.46Å; F255-Y259 HydrophobicContact CE2-CD2 3.46Å; F255-Y259 VanDerWaalsContact CE2-CD2 3.46Å; F255-Y259 AromaticContact CE2-CE2 3.24Å; F255-Y259 HydrophobicContact CE2-CE2 3.24Å; F255-Y259 HydrophobicContact CE2-CG 4.26Å; F255-Y259 AromaticContact CE2-CZ 3.86Å; F255-Y259 AromaticContact CZ-CD2 3.96Å; F255-Y259 HydrophobicContact CZ-CD2 3.96Å; F255-Y259 AromaticContact CZ-CE2 3.95Å; F255-Y259 HydrophobicContact CZ-CE2 3.95Å; F255-Y259 HydrophobicContact CZ-CG 4.32Å; F255-Y259 PolarHBondContact O-N 3.06Å; D257-Y259 PolarHBondContact O-N 3.34Å; Y259-H262 CarbonylContact O-C 3.36Å; Y259-H262 WeakPolarHBondContact O-CA 3.25Å; Y259-H262 WeakPolarHBondContact O-CB 3.39Å; Y259-H262 PolarHBondContact O-N 3.12Å; Y259-H262 VanDerWaalsContact O-N 3.14Å; Y259-K263 PolarHBondContact O-N 2.84Å; Y259-L264 CarbonylContact C-O 3.59Å; Y259-L264 HydrophobicContact CD1-CB 4.11Å; Y259-L264 HydrophobicContact CD1-CD1 3.79Å; Y259-L264 HydrophobicContact CE1-CD1 4.11Å; Y259-L264 PolarHBondContact O-N 3.23Å; Y259-F266 AromaticContact CD1-CE2 3.58Å; Y259-F266 HydrophobicContact CD1-CE2 3.58Å; Y259-F266 AromaticContact CD1-CZ 3.65Å; Y259-F266 HydrophobicContact CD1-CZ 3.65Å; Y259-F266 HydrophobicContact CE1-CE2 4.38Å; Y259-F266 HydrophobicContact CE1-CZ 4Å; Y259-F266 AromaticContact CG-CE2 3.69Å; Y259-F266 HydrophobicContact CG-CE2 3.69Å; Y259-F266 HydrophobicContact CG-CZ 4.11Å
260	A	98.4	Very high	97.8	Very high	41 Å²	41	46.3 Å²	46.3	34%	0.339	22%	0.218	S	C	.	.	H	α-helix	trans	-67.3	-34.8	174.1	0	0	0	0	0	112.3	L256 D257 A258 H262 K263 L264	L256-A260 VanDerWaalsContact O-CB 3.27Å; L256-A260 WeakPolarHBondContact O-CB 3.42Å; L256-A260 PolarHBondContact O-N 2.83Å; D257-A260 WeakPolarHBondContact O-CA 3.38Å; D257-A260 WeakPolarHBondContact O-CB 3.15Å; D257-A260 PolarHBondContact O-N 3.06Å; A258-A260 VanDerWaalsContact C-N 3.33Å; A258-A260 PolarHBondContact O-N 3.1Å; A260-H262 PolarHBondContact O-N 2.81Å; A260-K263 WeakPolarHBondContact O-CA 3.49Å; A260-K263 PolarHBondContact O-N 2.73Å; A260-L264 WeakPolarHBondContact CA-O 3.37Å; A260-L264 PolarHBondContact N-O 2.67Å
261	E	98.4	Very high	97.7	Very high	158 Å²	158	42.5 Å²	42.5	74%	0.738	20%	0.204	S	C	*	.	H	α-helix	trans	-59.6	-32.7	170.2	-68.3	175.4	-171.9	0	0	111.7	D257 A258 K263	D257-E261 PolarHBondContact O-N 3.36Å; A258-E261 WeakPolarHBondContact O-CB 3.39Å; A258-E261 PolarHBondContact O-N 3.15Å; E261-K263 PolarHBondContact O-N 2.84Å
262	H	98.7	Very high	97.6	Very high	68 Å²	68	42.5 Å²	42.5	32%	0.315	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	13.8	171	-70.7	-78.7	0	0	0	114.1	I197 H201 A258 Y259 A260 L264	I197-H262 HydrophobicContact CD1-CB 4.13Å; I197-H262 HydrophobicContact CG2-CB 3.89Å; H201-H262 PolarHBondContact CE1-O 2.84Å; H201-H262 VanDerWaalsContact CE1-O 3.24Å; H201-H262 PolarHBondContact NE2-O 3.01Å; A258-H262 PolarHBondContact O-CD2 2.75Å; A258-H262 VanDerWaalsContact O-CD2 3.25Å; A258-H262 PolarHBondContact O-N 2.75Å; Y259-H262 CarbonylContact O-C 3.36Å; Y259-H262 WeakPolarHBondContact O-CA 3.25Å; Y259-H262 WeakPolarHBondContact O-CB 3.39Å; Y259-H262 PolarHBondContact O-N 3.12Å; Y259-H262 VanDerWaalsContact O-N 3.14Å; A260-H262 PolarHBondContact O-N 2.81Å; H262-L264 VanDerWaalsContact C-N 3.28Å; H262-L264 PolarHBondContact O-N 3.44Å
263	K	98.6	Very high	97.5	Very high	182 Å²	182	42.7 Å²	42.7	79%	0.791	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	32	178.7	-51.9	178.5	-178.7	178.8	0	113.9	Y259 A260 E261	Y259-K263 PolarHBondContact O-N 2.84Å; A260-K263 WeakPolarHBondContact O-CA 3.49Å; A260-K263 PolarHBondContact O-N 2.73Å; E261-K263 PolarHBondContact O-N 2.84Å
264	L	98.6	Very high	97.4	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	21%	0.207	C	C	.	.			trans	-112.4	130.6	173.4	-65.5	176.8	0	0	0	109.7	I197 I200 H201 L204 L213 Y259 A260 H262	I197-L264 HydrophobicContact CB-CD1 4.33Å; I197-L264 HydrophobicContact CG1-CD1 4.08Å; I197-L264 HydrophobicContact CG2-CD1 4Å; I200-L264 HydrophobicContact CB-CD1 4.25Å; I200-L264 HydrophobicContact CD1-CD1 4.44Å; I200-L264 HydrophobicContact CG2-CD1 3.95Å; I200-L264 HydrophobicContact CG2-CD2 3.72Å; H201-L264 VanDerWaalsContact CE1-CD2 3.45Å; H201-L264 WeakPolarHBondContact CE1-CD2 3.37Å; L204-L264 HydrophobicContact CD1-CD2 3.6Å; L213-L264 HydrophobicContact CD1-CB 4.03Å; L213-L264 HydrophobicContact CD1-CD2 4.22Å; Y259-L264 CarbonylContact C-O 3.59Å; Y259-L264 HydrophobicContact CD1-CB 4.11Å; Y259-L264 HydrophobicContact CD1-CD1 3.79Å; Y259-L264 HydrophobicContact CE1-CD1 4.11Å; Y259-L264 PolarHBondContact O-N 3.23Å; A260-L264 WeakPolarHBondContact CA-O 3.37Å; A260-L264 PolarHBondContact N-O 2.67Å; H262-L264 VanDerWaalsContact C-N 3.28Å; H262-L264 PolarHBondContact O-N 3.44Å
265	Q	97.9	Very high	97.3	Very high	171 Å²	171	39.3 Å²	39.3	80%	0.799	19%	0.189	S	C	*	.			trans	-114.9	141.1	177.5	-69.4	-172.9	-20.7	0	0	110.4
266	F	98.1	Very high	97.2	Very high	16 Å²	16	40.4 Å²	40.4	7%	0.07	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.9	178.4	-74.8	-91.9	0	0	0	111.4	V160 L213 A215 F255 L256 Y259 V315	V160-F266 HydrophobicContact CB-CE1 4.06Å; V160-F266 HydrophobicContact CB-CZ 4.32Å; V160-F266 HydrophobicContact CG2-CE1 4.1Å; V160-F266 HydrophobicContact CG2-CZ 4.41Å; L213-F266 HydrophobicContact CB-CD1 3.57Å; L213-F266 HydrophobicContact CB-CE1 3.72Å; L213-F266 HydrophobicContact CB-CG 4.19Å; L213-F266 HydrophobicContact CB-CZ 4.46Å; L213-F266 HydrophobicContact CD1-CZ 4.5Å; A215-F266 HydrophobicContact CB-CD1 3.63Å; A215-F266 HydrophobicContact CB-CE1 3.42Å; A215-F266 VanDerWaalsContact CB-CE1 3.42Å; A215-F266 HydrophobicContact CB-CG 4.48Å; A215-F266 HydrophobicContact CB-CZ 4.12Å; F255-F266 HydrophobicContact CE1-CD2 4.2Å; F255-F266 HydrophobicContact CE1-CE1 4.14Å; F255-F266 AromaticContact CE1-CE2 3.63Å; F255-F266 HydrophobicContact CE1-CE2 3.63Å; F255-F266 AromaticContact CE1-CZ 3.62Å; F255-F266 HydrophobicContact CE1-CZ 3.62Å; F255-F266 HydrophobicContact CZ-CE1 4.09Å; F255-F266 AromaticContact CZ-CE2 3.76Å; F255-F266 HydrophobicContact CZ-CE2 3.76Å; F255-F266 AromaticContact CZ-CZ 3.4Å; F255-F266 HydrophobicContact CZ-CZ 3.4Å; L256-F266 HydrophobicContact CD2-CB 3.87Å; L256-F266 HydrophobicContact CD2-CD2 3.55Å; L256-F266 HydrophobicContact CD2-CE2 4.36Å; L256-F266 HydrophobicContact CD2-CG 3.84Å; Y259-F266 AromaticContact CD1-CE2 3.58Å; Y259-F266 HydrophobicContact CD1-CE2 3.58Å; Y259-F266 AromaticContact CD1-CZ 3.65Å; Y259-F266 HydrophobicContact CD1-CZ 3.65Å; Y259-F266 HydrophobicContact CE1-CE2 4.38Å; Y259-F266 HydrophobicContact CE1-CZ 4Å; Y259-F266 AromaticContact CG-CE2 3.69Å; Y259-F266 HydrophobicContact CG-CE2 3.69Å; Y259-F266 HydrophobicContact CG-CZ 4.11Å; F266-V315 HydrophobicContact CB-CG1 4.32Å; F266-V315 HydrophobicContact CB-CG2 4.46Å
267	W	97.1	Very high	96.9	Very high	73 Å²	73	40.5 Å²	40.5	28%	0.277	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-42.7	166.6	159.3	58.1	0	0	0	110.3	K118 L213 L214 R316 L318	K118-W267 HydrophobicContact CD-CZ2 4.09Å; K118-W267 HydrophobicContact CG-CH2 3.87Å; K118-W267 HydrophobicContact CG-CZ2 3.76Å; K118-W267 HydrophobicContact CG-CZ3 4.36Å; L213-W267 WeakPolarHBondContact O-CB 3.48Å; L213-W267 PolarHBondContact O-N 2.83Å; L214-W267 HydrophobicContact CB-CE3 4.44Å; W267-R316 WeakPolarHBondContact O-CB 3.13Å; W267-R316 WeakPolarHBondContact O-CG 3.21Å; W267-R316 PolarHBondContact O-N 3.36Å; W267-L318 HydrophobicContact CH2-CD1 4.42Å
268	A	94	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	160.2	-174.8	0	0	0	0	0	113	L213 L214 A215 R316 L318	L213-A268 PolarHBondContact O-N 3.04Å; L214-A268 CarbonylContact C-O 3.56Å; L214-A268 WeakPolarHBondContact CA-O 3.29Å; L214-A268 HydrophobicContact CD1-CB 3.68Å; A215-A268 PolarHBondContact N-O 2.99Å; A268-R316 CarbonylContact C-O 3.58Å; A268-R316 WeakPolarHBondContact CA-O 3.18Å; A268-R316 HydrophobicContact CB-CB 3.9Å; A268-R316 WeakPolarHBondContact CB-O 3.29Å; A268-L318 HydrophobicContact CB-CD1 4.2Å; A268-L318 HydrophobicContact CB-CG 4.29Å
269	V	95.3	Very high	96.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	148.2	165.3	-65.7	0	0	0	0	109.6	A215 L256 L307 V315 R316 L317 L318	A215-V269 HydrophobicContact CB-CG1 4.01Å; A215-V269 CarbonylContact O-C 3.43Å; A215-V269 VanDerWaalsContact O-CA 3.23Å; A215-V269 WeakPolarHBondContact O-CA 3.23Å; L256-V269 HydrophobicContact CD2-CG1 4.1Å; V269-L307 HydrophobicContact CG2-CD1 4.25Å; V269-V315 HydrophobicContact CG1-CG1 4Å; V269-V315 HydrophobicContact CG2-CG1 4.21Å; V269-R316 PolarHBondContact N-O 3.41Å; V269-L317 HydrophobicContact CG2-CD1 3.86Å; V269-L318 PolarHBondContact O-N 2.76Å
270	T	94.1	Very high	96.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	149.1	165	70.9	0	0	0	0	110.1	L214 A215 S216 E272 L318 D321 Q348	L214-T270 HydrophobicContact CD1-CG2 3.96Å; A215-T270 PolarHBondContact O-N 3.01Å; S216-T270 WeakPolarHBondContact CA-OG1 3.37Å; S216-T270 WeakPolarHBondContact CB-OG1 3.26Å; S216-T270 WeakPolarHBondContact OG-CG2 3.31Å; S216-T270 PolarHBondContact OG-OG1 3.25Å; T270-E272 VanDerWaalsContact C-N 3.29Å; T270-E272 PolarHBondContact O-N 3.3Å; T270-L318 CarbonylContact C-O 3.56Å; T270-L318 VanDerWaalsContact CA-O 3.3Å; T270-L318 WeakPolarHBondContact CA-O 3.31Å; T270-L318 HydrophobicContact CG2-CB 4.19Å; T270-L318 HydrophobicContact CG2-CD1 4.48Å; T270-D321 WeakPolarHBondContact CB-OD2 3.06Å; T270-D321 HydrophobicContact CG2-CB 3.83Å; T270-D321 WeakPolarHBondContact CG2-OD2 3.31Å; T270-D321 PolarHBondContact OG1-OD2 3.47Å; T270-Q348 HydrophobicContact CG2-CB 4.18Å; T270-Q348 HydrophobicContact CG2-CG 4.33Å
271	A	94.8	Very high	96.4	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.008	24%	0.238	C	C	.	.	S	Bend	trans	-65.1	-33.4	-178.5	0	0	0	0	0	112.9	Q295 I299 L303 L317 L318	A271-Q295 HydrophobicContact CB-CG 4.34Å; A271-I299 HydrophobicContact CB-CD1 4.26Å; A271-I299 HydrophobicContact CB-CG1 4.41Å; A271-L303 HydrophobicContact CB-CD2 4.38Å; A271-L317 HydrophobicContact CB-CD1 4.31Å; A271-L318 PolarHBondContact N-O 3.19Å
272	E	97.6	Very high	96.1	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.			trans	-170	142.6	175.8	177.7	56.4	-153.5	0	0	108.7	W218 T270 P275 L288 F290 D321	W218-E272 VanDerWaalsContact C-OE1 3.23Å; T270-E272 VanDerWaalsContact C-N 3.29Å; T270-E272 PolarHBondContact O-N 3.3Å; E272-P275 HydrophobicContact CB-CB 4.15Å; E272-P275 HydrophobicContact CB-CG 4.5Å; E272-P275 HydrophobicContact CG-CB 4.01Å; E272-P275 WeakPolarHBondContact O-CD 3.41Å; E272-L288 HydrophobicContact CG-CB 4.3Å; E272-L288 WeakPolarHBondContact CG-O 3.13Å; E272-L288 WeakPolarHBondContact OE1-CB 3.42Å; E272-L288 PolarHBondContact OE1-N 2.9Å; E272-F290 HydrophobicContact CB-CD2 4.04Å; E272-F290 HydrophobicContact CB-CE2 3.99Å; E272-F290 HydrophobicContact CG-CD2 3.99Å; E272-F290 HydrophobicContact CG-CE2 3.99Å; E272-D321 WeakPolarHBondContact O-CB 3.48Å
273	N	96.1	Very high	95.9	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.032	23%	0.229	C	C	.	.	S	Bend	trans	-76.9	127.4	169	173.2	99.9	0	0	0	110.7	R159 P217 W218 P275	R159-N273 PolarHBondContact NH2-OD1 3.32Å; P217-N273 WeakPolarHBondContact O-CB 3.42Å; P217-N273 PolarHBondContact O-N 3.4Å; W218-N273 HydrophobicContact CD2-CB 3.99Å; W218-N273 HydrophobicContact CE3-CB 4.27Å; W218-N273 HydrophobicContact CG-CB 4.18Å; W218-N273 PolarHBondContact NE1-ND2 2.84Å; N273-P275 VanDerWaalsContact C-CD 3.49Å
274	E	95.3	Very high	95.6	Very high	38 Å²	38	37.8 Å²	37.8	18%	0.178	22%	0.218	C	C	.	.	S	Bend	trans	46	54.7	177.9	-62.9	-176	-157.1	0	0	113.8	S276 A277 Y283 D321 D322 L350	E274-S276 PolarHBondContact O-N 2.98Å; E274-A277 HydrophobicContact CB-CB 4.01Å; E274-A277 WeakPolarHBondContact O-CB 3.33Å; E274-A277 PolarHBondContact O-N 2.82Å; E274-Y283 PolarHBondContact OE2-OH 2.9Å; E274-D321 PolarHBondContact N-O 2.05Å; E274-D322 VanDerWaalsContact C-OD2 3.28Å; E274-D322 WeakPolarHBondContact CA-OD2 3.25Å; E274-L350 HydrophobicContact CG-CD1 3.34Å
275	P	96.7	Very high	95.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.4	-177.6	16.8	-30.4	0	0	0	114.1	E272 N273 A277 G289 F290 L320 D322 W330	E272-P275 HydrophobicContact CB-CB 4.15Å; E272-P275 HydrophobicContact CB-CG 4.5Å; E272-P275 HydrophobicContact CG-CB 4.01Å; E272-P275 WeakPolarHBondContact O-CD 3.41Å; N273-P275 VanDerWaalsContact C-CD 3.49Å; P275-A277 VanDerWaalsContact C-N 3.32Å; P275-G289 WeakPolarHBondContact O-CA 2.98Å; P275-F290 HydrophobicContact CB-CB 3.96Å; P275-F290 HydrophobicContact CB-CD2 4.18Å; P275-F290 PolarHBondContact O-N 3.44Å; P275-L320 VanDerWaalsContact CD-O 3.26Å; P275-L320 WeakPolarHBondContact CD-O 3.5Å; P275-L320 VanDerWaalsContact CG-O 3.28Å; P275-L320 WeakPolarHBondContact CG-O 3.42Å; P275-D322 WeakPolarHBondContact CD-OD2 3.22Å; P275-D322 HydrophobicContact CG-CB 4.44Å; P275-W330 HydrophobicContact CB-CH2 3.6Å; P275-W330 HydrophobicContact CB-CZ2 3.96Å; P275-W330 HydrophobicContact CG-CH2 3.04Å; P275-W330 HydrophobicContact CG-CZ2 3.7Å; P275-W330 HydrophobicContact CG-CZ3 3.74Å
276	S	96.9	Very high	95.4	Very high	24 Å²	24	31.4 Å²	31.4	17%	0.168	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-26.6	174.2	69.4	0	0	0	0	113.4	E274 G278 L279 D322	E274-S276 PolarHBondContact O-N 2.98Å; S276-G278 VanDerWaalsContact C-N 3.35Å; S276-G278 PolarHBondContact O-N 3.24Å; S276-L279 WeakPolarHBondContact O-CB 3.23Å; S276-L279 PolarHBondContact O-N 3.01Å; S276-L279 VanDerWaalsContact O-N 3.1Å; S276-D322 WeakPolarHBondContact CB-OD2 3.41Å; S276-D322 PolarHBondContact N-OD2 3Å; S276-D322 PolarHBondContact OG-OD1 2.03Å; S276-D322 PolarHBondContact OG-OD2 3.33Å
277	A	93.6	Very high	95.4	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.033	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-61.9	-41.4	180	0	0	0	0	0	112.4	E274 P275 L279 L280 Y283 C287	E274-A277 HydrophobicContact CB-CB 4.01Å; E274-A277 WeakPolarHBondContact O-CB 3.33Å; E274-A277 PolarHBondContact O-N 2.82Å; P275-A277 VanDerWaalsContact C-N 3.32Å; A277-L279 PolarHBondContact O-N 3.02Å; A277-L279 VanDerWaalsContact O-N 3.09Å; A277-L280 WeakPolarHBondContact O-CB 3.33Å; A277-L280 PolarHBondContact O-N 3.09Å; A277-Y283 HydrophobicContact CB-CD1 4.11Å; A277-Y283 HydrophobicContact CB-CD2 3.91Å; A277-Y283 HydrophobicContact CB-CE1 3.7Å; A277-Y283 HydrophobicContact CB-CE2 3.49Å; A277-Y283 VanDerWaalsContact CB-CE2 3.49Å; A277-Y283 HydrophobicContact CB-CG 4.19Å; A277-C287 HydrophobicContact CB-CB 4.03Å
278	G	96.3	Very high	95.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-71.4	0.9	177.9	0	0	0	0	0	114.5	K233 G234 S276 G289	K233-G278 VanDerWaalsContact CA-O 3.31Å; K233-G278 WeakPolarHBondContact CA-O 3.29Å; G234-G278 PolarHBondContact N-O 3.07Å; G234-G278 VanDerWaalsContact N-O 3.07Å; S276-G278 VanDerWaalsContact C-N 3.35Å; S276-G278 PolarHBondContact O-N 3.24Å; G278-G289 VanDerWaalsContact C-CA 3.44Å; G278-G289 VanDerWaalsContact CA-CA 3.48Å
279	L	96.4	Very high	95.6	Very high	61 Å²	61	27.2 Å²	27.2	32%	0.319	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-92.4	-12.2	169.6	-54.2	180	0	0	0	112.6	K233 S276 A277 T291	K233-L279 WeakPolarHBondContact CD-O 3.37Å; S276-L279 WeakPolarHBondContact O-CB 3.23Å; S276-L279 PolarHBondContact O-N 3.01Å; S276-L279 VanDerWaalsContact O-N 3.1Å; A277-L279 PolarHBondContact O-N 3.02Å; A277-L279 VanDerWaalsContact O-N 3.09Å; L279-T291 HydrophobicContact CD1-CG2 4.36Å; L279-T291 HydrophobicContact CD2-CG2 4.33Å
280	L	94.8	Very high	95.7	Very high	102 Å²	102	27.2 Å²	27.2	53%	0.534	17%	0.171	S	C	.	.	S	Bend	trans	-90.8	124.2	-177.6	-58.5	177	0	0	0	111.5	K233 A277 G282 Y283	K233-L280 PolarHBondContact N-O 2.82Å; K233-L280 VanDerWaalsContact N-O 3.12Å; A277-L280 WeakPolarHBondContact O-CB 3.33Å; A277-L280 PolarHBondContact O-N 3.09Å; L280-G282 PolarHBondContact O-N 2.98Å; L280-Y283 HydrophobicContact CD1-CD2 4.23Å; L280-Y283 PolarHBondContact O-N 3.44Å
281	S	94.1	Very high	95.9	Very high	103 Å²	103	29.7 Å²	29.7	72%	0.72	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	132.1	173.3	-64.8	0	0	0	0	110.3	Y283	S281-Y283 VanDerWaalsContact C-N 3.33Å; S281-Y283 PolarHBondContact O-N 3.01Å
282	G	92.6	Very high	96.1	Very high	70 Å²	70	30.4 Å²	30.4	72%	0.722	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	13.8	178.8	0	0	0	0	0	115.6	L280	L280-G282 PolarHBondContact O-N 2.98Å
283	Y	94.4	Very high	96.1	Very high	33 Å²	33	33.9 Å²	33.9	13%	0.129	21%	0.207	C	C	.	.			trans	-55.3	129.3	173.1	-165.6	-97.2	0	0	0	110.9	G232 E274 A277 L280 S281 F285 C287	G232-Y283 WeakPolarHBondContact CA-O 3.41Å; G232-Y283 PolarHBondContact N-O 2.9Å; E274-Y283 PolarHBondContact OE2-OH 2.9Å; A277-Y283 HydrophobicContact CB-CD1 4.11Å; A277-Y283 HydrophobicContact CB-CD2 3.91Å; A277-Y283 HydrophobicContact CB-CE1 3.7Å; A277-Y283 HydrophobicContact CB-CE2 3.49Å; A277-Y283 VanDerWaalsContact CB-CE2 3.49Å; A277-Y283 HydrophobicContact CB-CG 4.19Å; L280-Y283 HydrophobicContact CD1-CD2 4.23Å; L280-Y283 PolarHBondContact O-N 3.44Å; S281-Y283 VanDerWaalsContact C-N 3.33Å; S281-Y283 PolarHBondContact O-N 3.01Å; Y283-F285 HydrophobicContact CD1-CD2 4.29Å; Y283-F285 HydrophobicContact CD1-CE2 4.37Å; Y283-F285 WeakPolarHBondContact CD1-O 3.24Å; Y283-F285 HydrophobicContact CE1-CD1 4.38Å; Y283-F285 AromaticContact CE1-CD2 3.43Å; Y283-F285 HydrophobicContact CE1-CD2 3.43Å; Y283-F285 VanDerWaalsContact CE1-CD2 3.43Å; Y283-F285 HydrophobicContact CE1-CE1 4.16Å; Y283-F285 AromaticContact CE1-CE2 3.19Å; Y283-F285 HydrophobicContact CE1-CE2 3.19Å; Y283-F285 HydrophobicContact CE1-CG 4.04Å; Y283-F285 AromaticContact CE1-CZ 3.58Å; Y283-F285 HydrophobicContact CE1-CZ 3.58Å; Y283-F285 HydrophobicContact CE2-CZ 4.4Å; Y283-F285 AromaticContact CZ-CE2 3.41Å; Y283-F285 VanDerWaalsContact CZ-CE2 3.41Å; Y283-F285 AromaticContact CZ-CZ 3.39Å; Y283-F285 PolarHBondContact O-N 2.91Å; Y283-F285 WeakPolarHBondContact OH-CE2 3.12Å; Y283-F285 WeakPolarHBondContact OH-CZ 3.28Å; Y283-C287 HydrophobicContact CD1-CB 3.78Å; Y283-C287 VanDerWaalsContact CD1-SG 3.53Å; Y283-C287 HydrophobicContact CE1-CB 3.94Å
284	P	92.9	Very high	96.2	Very high	87 Å²	87	35 Å²	35	57%	0.565	21%	0.213	S	C	*	.			trans	-78.4	-25	-157.4	24	-30.8	0	0	0	115.4	N231	N231-P284 PolarHBondContact ND2-O 3.29Å
285	F	94.1	Very high	96.4	Very high	28 Å²	28	33.3 Å²	33.3	12%	0.123	20%	0.204	C	C	.	.	S	Bend	trans	-130.1	-176.2	-174.3	50	-101.5	0	0	0	112.4	D166 N231 Y283 C287	D166-F285 HydrophobicContact CB-CB 3.99Å; D166-F285 HydrophobicContact CB-CD1 4.03Å; D166-F285 HydrophobicContact CB-CD2 3.79Å; D166-F285 HydrophobicContact CB-CE1 4.48Å; D166-F285 HydrophobicContact CB-CE2 4.21Å; D166-F285 HydrophobicContact CB-CG 3.68Å; N231-F285 WeakPolarHBondContact CA-O 3.03Å; N231-F285 VanDerWaalsContact CB-C 3.46Å; N231-F285 WeakPolarHBondContact CB-O 3.03Å; Y283-F285 HydrophobicContact CD1-CD2 4.29Å; Y283-F285 HydrophobicContact CD1-CE2 4.37Å; Y283-F285 WeakPolarHBondContact CD1-O 3.24Å; Y283-F285 HydrophobicContact CE1-CD1 4.38Å; Y283-F285 AromaticContact CE1-CD2 3.43Å; Y283-F285 HydrophobicContact CE1-CD2 3.43Å; Y283-F285 VanDerWaalsContact CE1-CD2 3.43Å; Y283-F285 HydrophobicContact CE1-CE1 4.16Å; Y283-F285 AromaticContact CE1-CE2 3.19Å; Y283-F285 HydrophobicContact CE1-CE2 3.19Å; Y283-F285 HydrophobicContact CE1-CG 4.04Å; Y283-F285 AromaticContact CE1-CZ 3.58Å; Y283-F285 HydrophobicContact CE1-CZ 3.58Å; Y283-F285 HydrophobicContact CE2-CZ 4.4Å; Y283-F285 AromaticContact CZ-CE2 3.41Å; Y283-F285 VanDerWaalsContact CZ-CE2 3.41Å; Y283-F285 AromaticContact CZ-CZ 3.39Å; Y283-F285 PolarHBondContact O-N 2.91Å; Y283-F285 WeakPolarHBondContact OH-CE2 3.12Å; Y283-F285 WeakPolarHBondContact OH-CZ 3.28Å; F285-C287 PolarHBondContact O-N 2.88Å
286	Q	97.9	Very high	96.4	Very high	12 Å²	12	36.1 Å²	36.1	6%	0.056	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-51.8	122.1	-175	-65.4	89.7	-44.8	0	0	111.3	S164 C165 T171 W218 T219 G230	S164-Q286 PolarHBondContact OG-NE2 3.11Å; C165-Q286 PolarHBondContact O-NE2 3.12Å; C165-Q286 PolarHBondContact O-OE1 3.43Å; T171-Q286 HydrophobicContact CG2-CG 4.03Å; W218-Q286 HydrophobicContact CB-CB 3.87Å; W218-Q286 CarbonylContact O-C 3.55Å; T219-Q286 HydrophobicContact CG2-CB 3.81Å; T219-Q286 HydrophobicContact CG2-CG 3.79Å; G230-Q286 WeakPolarHBondContact O-CA 3.31Å
287	C	97.5	Very high	96.5	Very high	1 Å²	1	36 Å²	36	1%	0.007	21%	0.213	C	C	.	.			trans	-153.7	146.8	176.7	60.2	0	0	0	0	110.9	W218 K225 G230 G232 A277 Y283 F285	W218-C287 CarbonylContact O-C 3.47Å; W218-C287 WeakPolarHBondContact O-CA 3.48Å; W218-C287 PolarHBondContact O-N 2.89Å; W218-C287 VanDerWaalsContact O-N 3.13Å; K225-C287 PolarHBondContact NZ-O 3.18Å; G230-C287 PolarHBondContact O-N 3.39Å; G230-C287 VanDerWaalsContact O-N 3.12Å; G232-C287 PolarHBondContact O-SG 3.36Å; A277-C287 HydrophobicContact CB-CB 4.03Å; Y283-C287 HydrophobicContact CD1-CB 3.78Å; Y283-C287 VanDerWaalsContact CD1-SG 3.53Å; Y283-C287 HydrophobicContact CE1-CB 3.94Å; F285-C287 PolarHBondContact O-N 2.88Å
288	L	98.4	Very high	96.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.212	C	C	.	.			trans	-122.7	121.9	168.2	-177.3	64.4	0	0	0	110.3	W218 K225 L236 W248 E272 F290	W218-L288 PolarHBondContact O-N 3.25Å; W218-L288 VanDerWaalsContact O-N 3.16Å; K225-L288 HydrophobicContact CD-CD1 4.16Å; K225-L288 HydrophobicContact CG-CD1 3.99Å; L236-L288 HydrophobicContact CD2-CD1 4.02Å; L236-L288 HydrophobicContact CD2-CD2 4.04Å; L236-L288 HydrophobicContact CG-CD1 4.07Å; L236-L288 HydrophobicContact CG-CD2 4.09Å; L236-L288 HydrophobicContact CG-CG 4.47Å; W248-L288 HydrophobicContact CZ2-CD2 4.13Å; E272-L288 HydrophobicContact CG-CB 4.3Å; E272-L288 WeakPolarHBondContact CG-O 3.13Å; E272-L288 WeakPolarHBondContact OE1-CB 3.42Å; E272-L288 PolarHBondContact OE1-N 2.9Å; L288-F290 HydrophobicContact CB-CE2 4.28Å; L288-F290 HydrophobicContact CD2-CE2 3.55Å; L288-F290 HydrophobicContact CD2-CZ 3.8Å; L288-F290 HydrophobicContact CG-CD2 4.35Å; L288-F290 HydrophobicContact CG-CE2 3.57Å; L288-F290 HydrophobicContact CG-CZ 4.11Å
289	G	97.8	Very high	96.6	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.212	C	C	.	.			trans	-79.9	129.2	-171.3	0	0	0	0	0	113.1	P235 P275 G278	P235-G289 WeakPolarHBondContact CA-O 2.98Å; P235-G289 VanDerWaalsContact CB-O 3.26Å; P235-G289 WeakPolarHBondContact CB-O 3.48Å; P275-G289 WeakPolarHBondContact O-CA 2.98Å; G278-G289 VanDerWaalsContact C-CA 3.44Å; G278-G289 VanDerWaalsContact CA-CA 3.48Å
290	F	98.3	Very high	96.5	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	20%	0.204	C	C	.	.			trans	-134.6	132.5	166.6	-65.3	-93.1	0	0	0	111.1	L236 E272 P275 L288 H294 Q295 F298	L236-F290 HydrophobicContact CD1-CE1 4.13Å; L236-F290 HydrophobicContact CD1-CZ 3.9Å; L236-F290 HydrophobicContact CG-CZ 4.32Å; E272-F290 HydrophobicContact CB-CD2 4.04Å; E272-F290 HydrophobicContact CB-CE2 3.99Å; E272-F290 HydrophobicContact CG-CD2 3.99Å; E272-F290 HydrophobicContact CG-CE2 3.99Å; P275-F290 HydrophobicContact CB-CB 3.96Å; P275-F290 HydrophobicContact CB-CD2 4.18Å; P275-F290 PolarHBondContact O-N 3.44Å; L288-F290 HydrophobicContact CB-CE2 4.28Å; L288-F290 HydrophobicContact CD2-CE2 3.55Å; L288-F290 HydrophobicContact CD2-CZ 3.8Å; L288-F290 HydrophobicContact CG-CD2 4.35Å; L288-F290 HydrophobicContact CG-CE2 3.57Å; L288-F290 HydrophobicContact CG-CZ 4.11Å; F290-H294 HydrophobicContact CD1-CB 4.24Å; F290-H294 AromaticContact CD1-CD2 3.88Å; F290-H294 AromaticContact CD1-CG 3.73Å; F290-H294 AromaticContact CD1-ND1 3.87Å; F290-Q295 HydrophobicContact CB-CB 4.04Å; F290-Q295 HydrophobicContact CG-CB 4.46Å; F290-F298 HydrophobicContact CE1-CB 4.26Å; F290-F298 HydrophobicContact CE1-CD1 4.09Å; F290-F298 HydrophobicContact CE1-CG 4.19Å; F290-F298 HydrophobicContact CZ-CD1 4.29Å
291	T	98.4	Very high	96.6	Very high	53 Å²	53	34.5 Å²	34.5	33%	0.325	20%	0.199	S	C	.	.			trans	-73.5	162.5	159.7	82	0	0	0	0	109.2	L279 E293 H294 Q295	L279-T291 HydrophobicContact CD1-CG2 4.36Å; L279-T291 HydrophobicContact CD2-CG2 4.33Å; T291-E293 WeakPolarHBondContact CB-OE2 3.28Å; T291-E293 PolarHBondContact O-N 2.77Å; T291-E293 PolarHBondContact OG1-N 2.77Å; T291-E293 PolarHBondContact OG1-OE2 3.24Å; T291-H294 PolarHBondContact O-N 3.29Å; T291-H294 PolarHBondContact OG1-N 3.21Å; T291-H294 VanDerWaalsContact OG1-N 3.15Å; T291-Q295 PolarHBondContact O-N 3.39Å
292	P	97.8	Very high	96.7	Very high	15 Å²	15	29.6 Å²	29.6	10%	0.097	16%	0.164	C	C	.	.	H	α-helix	trans	-54.9	-39.2	174.8	5.6	-11.8	0	0	0	113.2	R296 W330 V333	P292-R296 WeakPolarHBondContact O-CB 3.5Å; P292-R296 PolarHBondContact O-N 3.44Å; P292-W330 VanDerWaalsContact CA-NE1 3.35Å; P292-W330 HydrophobicContact CB-CD2 4.47Å; P292-W330 HydrophobicContact CB-CG 4.04Å; P292-W330 VanDerWaalsContact CB-NE1 3.3Å; P292-W330 VanDerWaalsContact CD-NE1 3.27Å; P292-W330 VanDerWaalsContact CG-CD1 3.47Å; P292-V333 HydrophobicContact CB-CB 3.74Å; P292-V333 HydrophobicContact CB-CG1 3.77Å; P292-V333 HydrophobicContact CB-CG2 4.03Å; P292-V333 HydrophobicContact CG-CG2 4.38Å
293	E	98.4	Very high	96.9	Very high	73 Å²	73	26.2 Å²	26.2	34%	0.341	13%	0.13	S	C	.	.	H	α-helix	trans	-68.5	-41.5	179.2	-56.9	70.4	-153.5	0	0	111.2	T291 R296 D297 V333	T291-E293 WeakPolarHBondContact CB-OE2 3.28Å; T291-E293 PolarHBondContact O-N 2.77Å; T291-E293 PolarHBondContact OG1-N 2.77Å; T291-E293 PolarHBondContact OG1-OE2 3.24Å; E293-R296 WeakPolarHBondContact O-CB 3.41Å; E293-R296 PolarHBondContact O-N 3.44Å; E293-D297 WeakPolarHBondContact O-CB 3.35Å; E293-D297 PolarHBondContact O-N 3.31Å; E293-V333 HydrophobicContact CG-CG1 3.99Å
294	H	98.3	Very high	96.8	Very high	31 Å²	31	25 Å²	25	14%	0.144	13%	0.127	C	C	.	.	H	α-helix	trans	-65.7	-44.7	177	-168.9	178.7	0	0	0	110.7	H245 F290 T291 D297 F298	H245-H294 AromaticContact CD2-NE2 3.67Å; H245-H294 AromaticContact CE1-NE2 3.87Å; H245-H294 AromaticContact NE2-CD2 3.84Å; H245-H294 AromaticContact NE2-CE1 3.68Å; H245-H294 AromaticContact NE2-NE2 2.81Å; H245-H294 PolarHBondContact NE2-NE2 3.19Å; F290-H294 HydrophobicContact CD1-CB 4.24Å; F290-H294 AromaticContact CD1-CD2 3.88Å; F290-H294 AromaticContact CD1-CG 3.73Å; F290-H294 AromaticContact CD1-ND1 3.87Å; T291-H294 PolarHBondContact O-N 3.29Å; T291-H294 PolarHBondContact OG1-N 3.21Å; T291-H294 VanDerWaalsContact OG1-N 3.15Å; H294-D297 PolarHBondContact O-N 2.88Å; H294-F298 VanDerWaalsContact O-CB 3.31Å; H294-F298 WeakPolarHBondContact O-CB 3.32Å; H294-F298 PolarHBondContact O-N 3.47Å
295	Q	98.2	Very high	96.9	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-62.6	-43.9	174.9	-178	176	95.9	0	0	111.5	A271 F290 T291 D297 F298 I299 W330	A271-Q295 HydrophobicContact CB-CG 4.34Å; F290-Q295 HydrophobicContact CB-CB 4.04Å; F290-Q295 HydrophobicContact CG-CB 4.46Å; T291-Q295 PolarHBondContact O-N 3.39Å; Q295-D297 PolarHBondContact O-N 3.4Å; Q295-F298 PolarHBondContact O-N 3.22Å; Q295-I299 HydrophobicContact CG-CD1 3.54Å; Q295-I299 HydrophobicContact CG-CG1 4.14Å; Q295-I299 WeakPolarHBondContact O-CB 3.36Å; Q295-I299 VanDerWaalsContact O-CG1 3.23Å; Q295-I299 WeakPolarHBondContact O-CG1 3.43Å; Q295-I299 PolarHBondContact O-N 3.41Å; Q295-W330 HydrophobicContact CB-CH2 3.98Å; Q295-W330 HydrophobicContact CB-CZ2 4.25Å; Q295-W330 HydrophobicContact CG-CH2 4.14Å; Q295-W330 HydrophobicContact CG-CZ3 4.41Å; Q295-W330 VanDerWaalsContact NE2-CZ3 3.3Å; Q295-W330 VanDerWaalsContact OE1-CH2 3.26Å
296	R	97.4	Very high	96.9	Very high	59 Å²	59	23.5 Å²	23.5	22%	0.223	12%	0.12	C	C	.	.	H	α-helix	trans	-53.3	-53.7	175.4	177.4	-161.9	68.9	-160	-1.8	111	P292 E293 F298 I299 A300 V333 V334 D337 A340	P292-R296 WeakPolarHBondContact O-CB 3.5Å; P292-R296 PolarHBondContact O-N 3.44Å; E293-R296 WeakPolarHBondContact O-CB 3.41Å; E293-R296 PolarHBondContact O-N 3.44Å; R296-F298 PolarHBondContact O-N 3.21Å; R296-I299 PolarHBondContact O-N 2.87Å; R296-A300 WeakPolarHBondContact O-CB 3.43Å; R296-A300 PolarHBondContact O-N 2.82Å; R296-V333 WeakPolarHBondContact CD-O 3.39Å; R296-V334 HydrophobicContact CB-CB 4.4Å; R296-V334 HydrophobicContact CB-CG1 4.42Å; R296-V334 HydrophobicContact CB-CG2 4.04Å; R296-D337 WeakPolarHBondContact CD-OD2 3.48Å; R296-D337 HydrophobicContact CG-CB 3.93Å; R296-D337 IonicContact NE-OD2 3.44Å; R296-A340 HydrophobicContact CG-CB 3.78Å
297	D	97.9	Very high	96.6	Very high	23 Å²	23	23.3 Å²	23.3	12%	0.123	12%	0.119	C	C	.	.	H	α-helix	trans	-67.1	-38.4	-175.6	-77.1	10.2	0	0	0	111.5	P240 E293 H294 Q295 A300 R301	P240-D297 HydrophobicContact CB-CB 3.82Å; P240-D297 HydrophobicContact CG-CB 3.65Å; E293-D297 WeakPolarHBondContact O-CB 3.35Å; E293-D297 PolarHBondContact O-N 3.31Å; H294-D297 PolarHBondContact O-N 2.88Å; Q295-D297 PolarHBondContact O-N 3.4Å; D297-A300 PolarHBondContact O-N 3.12Å; D297-R301 VanDerWaalsContact CG-NH2 3.3Å; D297-R301 VanDerWaalsContact O-CB 3.22Å; D297-R301 WeakPolarHBondContact O-CB 3.44Å; D297-R301 VanDerWaalsContact O-CG 3.32Å; D297-R301 WeakPolarHBondContact O-CG 3.25Å; D297-R301 PolarHBondContact O-N 3.05Å; D297-R301 IonicContact OD1-NH2 3.74Å; D297-R301 IonicContact OD2-CZ 2.67Å; D297-R301 VanDerWaalsContact OD2-CZ 3.28Å; D297-R301 IonicContact OD2-NH1 3.54Å; D297-R301 PolarHBondContact OD2-NH1 3.34Å; D297-R301 IonicContact OD2-NH2 3.4Å; D297-R301 PolarHBondContact OD2-NH2 3.47Å
298	F	98.2	Very high	96.1	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-43.8	173.7	171.9	-119.5	0	0	0	112	H245 W248 A249 F290 H294 Q295 R296 D302 L303	H245-F298 HydrophobicContact CB-CD2 4.22Å; W248-F298 AromaticContact CD1-CE1 3.88Å; W248-F298 AromaticContact CD1-CE2 3.78Å; W248-F298 AromaticContact CD1-CZ 3.27Å; W248-F298 HydrophobicContact CG-CZ 4.19Å; W248-F298 AromaticContact NE1-CZ 3.9Å; A249-F298 HydrophobicContact CB-CE2 4.25Å; F290-F298 HydrophobicContact CE1-CB 4.26Å; F290-F298 HydrophobicContact CE1-CD1 4.09Å; F290-F298 HydrophobicContact CE1-CG 4.19Å; F290-F298 HydrophobicContact CZ-CD1 4.29Å; H294-F298 VanDerWaalsContact O-CB 3.31Å; H294-F298 WeakPolarHBondContact O-CB 3.32Å; H294-F298 PolarHBondContact O-N 3.47Å; Q295-F298 PolarHBondContact O-N 3.22Å; R296-F298 PolarHBondContact O-N 3.21Å; F298-D302 HydrophobicContact CD2-CB 3.75Å; F298-D302 HydrophobicContact CE2-CB 3.88Å; F298-D302 WeakPolarHBondContact O-CA 3.26Å; F298-D302 WeakPolarHBondContact O-CB 3.36Å; F298-D302 PolarHBondContact O-N 2.95Å; F298-L303 HydrophobicContact CD1-CB 4.34Å; F298-L303 HydrophobicContact CE1-CB 3.83Å; F298-L303 HydrophobicContact CE1-CD2 3.74Å; F298-L303 HydrophobicContact CE1-CG 4.34Å; F298-L303 HydrophobicContact CE2-CB 4.19Å; F298-L303 HydrophobicContact CZ-CB 3.73Å; F298-L303 HydrophobicContact CZ-CD2 4.18Å; F298-L303 HydrophobicContact CZ-CG 4.37Å; F298-L303 PolarHBondContact O-N 3.39Å
299	I	95.4	Very high	95.6	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.181	C	C	.	.	I	π-helix	trans	-63.2	-50.1	176.6	-69.6	166.4	0	0	0	110.6	A271 Q295 R296 G304 L317 M319 V334 L344	A271-I299 HydrophobicContact CB-CD1 4.26Å; A271-I299 HydrophobicContact CB-CG1 4.41Å; Q295-I299 HydrophobicContact CG-CD1 3.54Å; Q295-I299 HydrophobicContact CG-CG1 4.14Å; Q295-I299 WeakPolarHBondContact O-CB 3.36Å; Q295-I299 VanDerWaalsContact O-CG1 3.23Å; Q295-I299 WeakPolarHBondContact O-CG1 3.43Å; Q295-I299 PolarHBondContact O-N 3.41Å; R296-I299 PolarHBondContact O-N 2.87Å; I299-G304 WeakPolarHBondContact O-CA 3.44Å; I299-G304 PolarHBondContact O-N 2.81Å; I299-L317 HydrophobicContact CG1-CD2 4.24Å; I299-L317 HydrophobicContact CG2-CD2 3.87Å; I299-M319 HydrophobicContact CD1-CB 4.23Å; I299-V334 HydrophobicContact CD1-CG1 4.29Å; I299-L344 HydrophobicContact CD1-CD1 4.36Å; I299-L344 HydrophobicContact CD1-CD2 4.15Å; I299-L344 HydrophobicContact CG2-CD1 4.46Å; I299-L344 HydrophobicContact CG2-CD2 4.35Å; I299-L344 HydrophobicContact CG2-CG 4.14Å
300	A	94.1	Very high	94.9	Very high	18 Å²	18	33.9 Å²	33.9	15%	0.149	19%	0.193	C	C	.	.	I	π-helix	trans	-66.5	-40.4	-175.5	0	0	0	0	0	112.9	R296 D297 P305 E339 A340	R296-A300 WeakPolarHBondContact O-CB 3.43Å; R296-A300 PolarHBondContact O-N 2.82Å; D297-A300 PolarHBondContact O-N 3.12Å; A300-P305 WeakPolarHBondContact O-CD 3.2Å; A300-P305 WeakPolarHBondContact O-CG 3.3Å; A300-E339 HydrophobicContact CB-CB 4.15Å; A300-A340 HydrophobicContact CB-CB 4.04Å
301	R	96.1	Very high	94.5	Very high	114 Å²	114	39 Å²	39	43%	0.43	23%	0.225	S	C	.	.	I	π-helix	trans	-99.3	-25.8	-168.6	-59.7	179.7	-173.4	152.8	16	113.9	R241 Q246 D297	R241-R301 HydrophobicContact CB-CB 4.4Å; Q246-R301 PolarHBondContact NE2-O 2.99Å; D297-R301 VanDerWaalsContact CG-NH2 3.3Å; D297-R301 VanDerWaalsContact O-CB 3.22Å; D297-R301 WeakPolarHBondContact O-CB 3.44Å; D297-R301 VanDerWaalsContact O-CG 3.32Å; D297-R301 WeakPolarHBondContact O-CG 3.25Å; D297-R301 PolarHBondContact O-N 3.05Å; D297-R301 IonicContact OD1-NH2 3.74Å; D297-R301 IonicContact OD2-CZ 2.67Å; D297-R301 VanDerWaalsContact OD2-CZ 3.28Å; D297-R301 IonicContact OD2-NH1 3.54Å; D297-R301 PolarHBondContact OD2-NH1 3.34Å; D297-R301 IonicContact OD2-NH2 3.4Å; D297-R301 PolarHBondContact OD2-NH2 3.47Å
302	D	97.1	Very high	94.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.216	C	C	.	.	I	π-helix	trans	-124.9	-69.3	-170.6	-53.5	-69.4	0	0	0	111.5	P240 R241 H245 Q246 A249 F298 T306	P240-D302 WeakPolarHBondContact CA-OD2 3.45Å; R241-D302 WeakPolarHBondContact CA-OD1 3.2Å; R241-D302 PolarHBondContact N-OD1 2.94Å; R241-D302 PolarHBondContact N-OD2 3.47Å; H245-D302 HydrophobicContact CB-CB 4.33Å; H245-D302 WeakPolarHBondContact CB-OD2 3.37Å; Q246-D302 WeakPolarHBondContact CG-OD1 3.2Å; Q246-D302 PolarHBondContact NE2-OD1 2.96Å; A249-D302 HydrophobicContact CB-CB 4.11Å; F298-D302 HydrophobicContact CD2-CB 3.75Å; F298-D302 HydrophobicContact CE2-CB 3.88Å; F298-D302 WeakPolarHBondContact O-CA 3.26Å; F298-D302 WeakPolarHBondContact O-CB 3.36Å; F298-D302 PolarHBondContact O-N 2.95Å; D302-T306 WeakPolarHBondContact O-CB 3.32Å; D302-T306 PolarHBondContact O-N 3.28Å; D302-T306 PolarHBondContact O-OG1 3.32Å
303	L	95.8	Very high	93.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-66.4	-48.4	-169.1	-177.4	56.6	0	0	0	113.3	A249 I252 A271 F298 T306 L307 L317	A249-L303 HydrophobicContact CB-CD1 4.42Å; I252-L303 HydrophobicContact CB-CD1 4.19Å; I252-L303 HydrophobicContact CD1-CD1 3.63Å; I252-L303 HydrophobicContact CD1-CD2 4.07Å; I252-L303 HydrophobicContact CG1-CD1 4.5Å; I252-L303 HydrophobicContact CG2-CD1 4.19Å; A271-L303 HydrophobicContact CB-CD2 4.38Å; F298-L303 HydrophobicContact CD1-CB 4.34Å; F298-L303 HydrophobicContact CE1-CB 3.83Å; F298-L303 HydrophobicContact CE1-CD2 3.74Å; F298-L303 HydrophobicContact CE1-CG 4.34Å; F298-L303 HydrophobicContact CE2-CB 4.19Å; F298-L303 HydrophobicContact CZ-CB 3.73Å; F298-L303 HydrophobicContact CZ-CD2 4.18Å; F298-L303 HydrophobicContact CZ-CG 4.37Å; F298-L303 PolarHBondContact O-N 3.39Å; L303-T306 PolarHBondContact O-N 3.24Å; L303-L307 HydrophobicContact CD1-CD1 3.79Å; L303-L307 HydrophobicContact CD1-CG 3.95Å; L303-L307 HydrophobicContact CG-CD1 3.89Å; L303-L307 HydrophobicContact CG-CG 4.46Å; L303-L307 WeakPolarHBondContact O-CB 3.29Å; L303-L307 WeakPolarHBondContact O-CG 3.27Å; L303-L307 PolarHBondContact O-N 3.22Å; L303-L317 HydrophobicContact CD2-CD1 3.6Å; L303-L317 HydrophobicContact CD2-CD2 4Å; L303-L317 HydrophobicContact CD2-CG 4.47Å; L303-L317 HydrophobicContact CG-CD1 4.34Å; L303-L317 HydrophobicContact CG-CD2 4.13Å
304	G	92.7	Very high	93.5	Very high	7 Å²	7	44.4 Å²	44.4	7%	0.072	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-57.4	179.9	0	0	0	0	0	112.2	I299 T306 L307 V308	I299-G304 WeakPolarHBondContact O-CA 3.44Å; I299-G304 PolarHBondContact O-N 2.81Å; G304-T306 VanDerWaalsContact C-N 3.31Å; G304-T306 PolarHBondContact O-N 3.49Å; G304-L307 PolarHBondContact O-N 3.4Å; G304-V308 WeakPolarHBondContact O-CG2 3.15Å; G304-V308 PolarHBondContact O-N 3.18Å
305	P	94.1	Very high	93.2	Very high	67 Å²	67	43.8 Å²	43.8	44%	0.435	25%	0.247	S	C	.	.	H	α-helix	trans	-57.2	-41.2	176.8	-27	35.4	0	0	0	113.5	A300 V308 S309	A300-P305 WeakPolarHBondContact O-CD 3.2Å; A300-P305 WeakPolarHBondContact O-CG 3.3Å; P305-V308 PolarHBondContact O-N 2.9Å; P305-S309 WeakPolarHBondContact O-CB 3.49Å; P305-S309 PolarHBondContact O-N 3.49Å; P305-S309 PolarHBondContact O-OG 3.26Å
306	T	95.3	Very high	92.8	Very high	17 Å²	17	49.9 Å²	49.9	10%	0.104	27%	0.27	C	S	.	.	H	α-helix	trans	-64.9	-43.6	-179.6	-55.5	0	0	0	0	111.4	A249 R250 V253 D302 L303 G304 S309 G310	A249-T306 HydrophobicContact CB-CG2 4.17Å; R250-T306 HydrophobicContact CG-CG2 4.19Å; V253-T306 HydrophobicContact CG2-CG2 3.82Å; D302-T306 WeakPolarHBondContact O-CB 3.32Å; D302-T306 PolarHBondContact O-N 3.28Å; D302-T306 PolarHBondContact O-OG1 3.32Å; L303-T306 PolarHBondContact O-N 3.24Å; G304-T306 VanDerWaalsContact C-N 3.31Å; G304-T306 PolarHBondContact O-N 3.49Å; T306-S309 PolarHBondContact O-N 2.79Å; T306-S309 PolarHBondContact O-OG 2.88Å; T306-G310 PolarHBondContact O-N 2.74Å
307	L	91	Very high	92.5	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.037	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-43.3	175.9	-75.8	170	0	0	0	112.4	I252 V253 L256 V269 L303 G304 G310 H313 L317	I252-L307 HydrophobicContact CG2-CD2 4.49Å; V253-L307 HydrophobicContact CG2-CD2 4.15Å; L256-L307 HydrophobicContact CD1-CD2 3.79Å; V269-L307 HydrophobicContact CG2-CD1 4.25Å; L303-L307 HydrophobicContact CD1-CD1 3.79Å; L303-L307 HydrophobicContact CD1-CG 3.95Å; L303-L307 HydrophobicContact CG-CD1 3.89Å; L303-L307 HydrophobicContact CG-CG 4.46Å; L303-L307 WeakPolarHBondContact O-CB 3.29Å; L303-L307 WeakPolarHBondContact O-CG 3.27Å; L303-L307 PolarHBondContact O-N 3.22Å; G304-L307 PolarHBondContact O-N 3.4Å; L307-G310 PolarHBondContact O-N 2.93Å; L307-H313 WeakPolarHBondContact O-CA 3.41Å; L307-H313 PolarHBondContact O-N 2.82Å; L307-L317 HydrophobicContact CD1-CB 4.41Å; L307-L317 HydrophobicContact CD1-CD1 4.44Å; L307-L317 HydrophobicContact CD1-CD2 4.43Å
308	V	88.3	Confident	92	Very high	96 Å²	96	46.8 Å²	46.8	58%	0.582	26%	0.258	S	S	*	.	H	α-helix	trans	-69.4	-34.2	-179.1	173.9	0	0	0	0	112.2	G304 P305 G310	G304-V308 WeakPolarHBondContact O-CG2 3.15Å; G304-V308 PolarHBondContact O-N 3.18Å; P305-V308 PolarHBondContact O-N 2.9Å; V308-G310 VanDerWaalsContact C-N 3.27Å; V308-G310 PolarHBondContact O-N 2.85Å
309	S	87.3	Confident	91.5	Very high	102 Å²	102	46.7 Å²	46.7	71%	0.713	26%	0.257	S	S	*	.	H	α-helix	trans	-71.6	-19.4	179.1	71.3	0	0	0	0	114.1	P305 T306	P305-S309 WeakPolarHBondContact O-CB 3.49Å; P305-S309 PolarHBondContact O-N 3.49Å; P305-S309 PolarHBondContact O-OG 3.26Å; T306-S309 PolarHBondContact O-N 2.79Å; T306-S309 PolarHBondContact O-OG 2.88Å
310	G	82.2	Confident	91.3	Very high	25 Å²	25	46.7 Å²	46.7	26%	0.258	26%	0.257	S	S	.	.	S	Bend	trans	-92.9	-177.8	-177.5	0	0	0	0	0	114.4	T306 L307 V308 H312 H313	T306-G310 PolarHBondContact O-N 2.74Å; L307-G310 PolarHBondContact O-N 2.93Å; V308-G310 VanDerWaalsContact C-N 3.27Å; V308-G310 PolarHBondContact O-N 2.85Å; G310-H312 PolarHBondContact O-N 2.81Å; G310-H313 PolarHBondContact O-ND1 2.92Å
311	T	90.4	Very high	91.1	Very high	110 Å²	110	45.8 Å²	45.8	68%	0.675	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.2	174.6	47.3	0	0	0	0	113.5
312	H	92.5	Very high	90.8	Very high	29 Å²	29	40.6 Å²	40.6	13%	0.134	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	20.9	-175	-55.2	-68.4	0	0	0	114.1	L256 D257 G310 N314 V315	L256-H312 HydrophobicContact CB-CB 4.45Å; L256-H312 HydrophobicContact CD1-CB 3.8Å; D257-H312 PolarHBondContact N-NE2 3.5Å; D257-H312 IonicContact OD1-CD2 2.98Å; D257-H312 PolarHBondContact OD1-CD2 2.95Å; D257-H312 IonicContact OD1-CE1 3.28Å; D257-H312 IonicContact OD1-NE2 3.55Å; D257-H312 PolarHBondContact OD1-NE2 3.15Å; G310-H312 PolarHBondContact O-N 2.81Å; H312-N314 PolarHBondContact O-N 3.26Å; H312-V315 HydrophobicContact CB-CG2 3.92Å; H312-V315 VanDerWaalsContact O-CB 3.3Å; H312-V315 WeakPolarHBondContact O-CB 3.43Å; H312-V315 WeakPolarHBondContact O-CG2 3.46Å; H312-V315 PolarHBondContact O-N 2.8Å
313	H	89.2	Confident	90	Very high	104 Å²	104	44.7 Å²	44.7	48%	0.481	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.9	-179	59.3	-95.3	0	0	0	114.8	L307 G310 V315	L307-H313 WeakPolarHBondContact O-CA 3.41Å; L307-H313 PolarHBondContact O-N 2.82Å; G310-H313 PolarHBondContact O-ND1 2.92Å; H313-V315 VanDerWaalsContact C-N 3.35Å
314	N	91.7	Very high	89.3	Confident	121 Å²	121	51.6 Å²	51.6	65%	0.647	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-14.3	175.3	-68.9	-47.4	0	0	0	113.6	H312 R316	H312-N314 PolarHBondContact O-N 3.26Å; N314-R316 PolarHBondContact O-N 3.47Å
315	V	93	Very high	89.1	Confident	18 Å²	18	57.4 Å²	57.4	11%	0.109	31%	0.305	C	S	.	.	S	Bend	trans	-69.7	127.2	176.8	-179.2	0	0	0	0	108.9	L256 F266 V269 H312 H313	L256-V315 HydrophobicContact CD1-CG1 4.47Å; L256-V315 HydrophobicContact CD1-CG2 4.27Å; F266-V315 HydrophobicContact CB-CG1 4.32Å; F266-V315 HydrophobicContact CB-CG2 4.46Å; V269-V315 HydrophobicContact CG1-CG1 4Å; V269-V315 HydrophobicContact CG2-CG1 4.21Å; H312-V315 HydrophobicContact CB-CG2 3.92Å; H312-V315 VanDerWaalsContact O-CB 3.3Å; H312-V315 WeakPolarHBondContact O-CB 3.43Å; H312-V315 WeakPolarHBondContact O-CG2 3.46Å; H312-V315 PolarHBondContact O-N 2.8Å; H313-V315 VanDerWaalsContact C-N 3.35Å
316	R	90.2	Very high	88.7	Confident	128 Å²	128	56.3 Å²	56.3	48%	0.483	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	138.4	-178.4	-55.2	-67.7	175.5	178.5	0.7	110.3	W267 A268 V269 N314 C345	W267-R316 WeakPolarHBondContact O-CB 3.13Å; W267-R316 WeakPolarHBondContact O-CG 3.21Å; W267-R316 PolarHBondContact O-N 3.36Å; A268-R316 CarbonylContact C-O 3.58Å; A268-R316 WeakPolarHBondContact CA-O 3.18Å; A268-R316 HydrophobicContact CB-CB 3.9Å; A268-R316 WeakPolarHBondContact CB-O 3.29Å; V269-R316 PolarHBondContact N-O 3.41Å; N314-R316 PolarHBondContact O-N 3.47Å; R316-C345 HydrophobicContact CB-CB 3.83Å; R316-C345 WeakPolarHBondContact CD-SG 3.39Å; R316-C345 HydrophobicContact CG-CB 4.32Å
317	L	89.6	Confident	88.2	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.4	172.3	-178.6	61.3	0	0	0	110.7	V269 A271 I299 L303 L307 L344 C345	V269-L317 HydrophobicContact CG2-CD1 3.86Å; A271-L317 HydrophobicContact CB-CD1 4.31Å; I299-L317 HydrophobicContact CG1-CD2 4.24Å; I299-L317 HydrophobicContact CG2-CD2 3.87Å; L303-L317 HydrophobicContact CD2-CD1 3.6Å; L303-L317 HydrophobicContact CD2-CD2 4Å; L303-L317 HydrophobicContact CD2-CG 4.47Å; L303-L317 HydrophobicContact CG-CD1 4.34Å; L303-L317 HydrophobicContact CG-CD2 4.13Å; L307-L317 HydrophobicContact CD1-CB 4.41Å; L307-L317 HydrophobicContact CD1-CD1 4.44Å; L307-L317 HydrophobicContact CD1-CD2 4.43Å; L317-L344 HydrophobicContact CB-CD2 4.33Å; L317-L344 HydrophobicContact CD2-CD2 4.04Å; L317-L344 HydrophobicContact CG-CD2 3.82Å; L317-C345 PolarHBondContact O-N 3.38Å
318	L	88.8	Confident	88.3	Confident	13 Å²	13	61.2 Å²	61.2	7%	0.068	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.8	175.4	-54.3	-179.7	0	0	0	110.1	L214 W267 A268 V269 T270 A271 G346 Q348	L214-L318 HydrophobicContact CD1-CD1 3.93Å; W267-L318 HydrophobicContact CH2-CD1 4.42Å; A268-L318 HydrophobicContact CB-CD1 4.2Å; A268-L318 HydrophobicContact CB-CG 4.29Å; V269-L318 PolarHBondContact O-N 2.76Å; T270-L318 CarbonylContact C-O 3.56Å; T270-L318 VanDerWaalsContact CA-O 3.3Å; T270-L318 WeakPolarHBondContact CA-O 3.31Å; T270-L318 HydrophobicContact CG2-CB 4.19Å; T270-L318 HydrophobicContact CG2-CD1 4.48Å; A271-L318 PolarHBondContact N-O 3.19Å; L318-G346 WeakPolarHBondContact CA-O 3.27Å; L318-Q348 HydrophobicContact CB-CB 4.35Å; L318-Q348 HydrophobicContact CD1-CB 4.36Å
319	M	87.9	Confident	88.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-179.5	171.8	67.3	168	-70.9	0	0	111.3	I299 D321 W330 V334 L335 L344 G346 F347 Q348	I299-M319 HydrophobicContact CD1-CB 4.23Å; M319-D321 PolarHBondContact O-N 2.98Å; M319-D321 VanDerWaalsContact O-N 3.1Å; M319-W330 HydrophobicContact CE-CB 4.4Å; M319-W330 HydrophobicContact CE-CD2 4.49Å; M319-W330 HydrophobicContact CE-CE3 3.83Å; M319-V334 HydrophobicContact CE-CB 3.52Å; M319-V334 HydrophobicContact CE-CG1 4.03Å; M319-V334 HydrophobicContact CE-CG2 3.46Å; M319-V334 VanDerWaalsContact CE-CG2 3.46Å; M319-V334 HydrophobicContact SD-CB 3.73Å; M319-V334 HydrophobicContact SD-CG1 3.73Å; M319-V334 HydrophobicContact SD-CG2 4.29Å; M319-L335 HydrophobicContact SD-CD2 3.91Å; M319-L335 HydrophobicContact SD-CG 4.02Å; M319-L344 HydrophobicContact CB-CD1 4.19Å; M319-L344 HydrophobicContact CB-CD2 3.9Å; M319-L344 HydrophobicContact CG-CD1 4.22Å; M319-L344 HydrophobicContact CG-CD2 4.39Å; M319-L344 HydrophobicContact SD-CD1 3.93Å; M319-G346 WeakPolarHBondContact CG-O 3.47Å; M319-G346 PolarHBondContact N-O 2.86Å; M319-F347 HydrophobicContact CG-CB 3.59Å; M319-F347 CarbonylContact O-C 3.54Å; M319-F347 VanDerWaalsContact O-CA 3.29Å; M319-F347 WeakPolarHBondContact O-CA 3.49Å; M319-F347 HydrophobicContact SD-CB 4.43Å; M319-Q348 PolarHBondContact O-N 3Å
320	L	89.4	Confident	89	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	68.5	-92.6	-176.8	-165.2	64.9	0	0	0	114.6	P275 D322 L326 L327 W330 F347 Q348 V349	P275-L320 VanDerWaalsContact CD-O 3.26Å; P275-L320 WeakPolarHBondContact CD-O 3.5Å; P275-L320 VanDerWaalsContact CG-O 3.28Å; P275-L320 WeakPolarHBondContact CG-O 3.42Å; L320-D322 HydrophobicContact CD1-CB 3.68Å; L320-D322 HydrophobicContact CG-CB 4.02Å; L320-D322 PolarHBondContact O-N 2.85Å; L320-L326 HydrophobicContact CD1-CB 4.01Å; L320-L326 HydrophobicContact CD1-CD1 4.03Å; L320-L327 HydrophobicContact CD2-CD1 3.86Å; L320-L327 HydrophobicContact CD2-CD2 3.85Å; L320-L327 HydrophobicContact CD2-CG 3.66Å; L320-W330 HydrophobicContact CB-CE3 3.61Å; L320-W330 HydrophobicContact CB-CZ3 3.99Å; L320-W330 HydrophobicContact CD1-CB 4.12Å; L320-W330 HydrophobicContact CD1-CD2 3.54Å; L320-W330 HydrophobicContact CD1-CE3 3.18Å; L320-W330 HydrophobicContact CD1-CG 3.94Å; L320-W330 HydrophobicContact CD1-CZ3 3.83Å; L320-W330 HydrophobicContact CG-CE3 3.95Å; L320-W330 HydrophobicContact CG-CZ3 4.45Å; L320-F347 HydrophobicContact CB-CB 4.23Å; L320-Q348 VanDerWaalsContact CB-O 3.27Å; L320-Q348 WeakPolarHBondContact CB-O 3.41Å; L320-Q348 WeakPolarHBondContact CG-O 3.48Å; L320-V349 HydrophobicContact CD2-CG2 3.99Å
321	D	91.5	Very high	89.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	49.6	45.4	-170	-161.6	27.2	0	0	0	112.7	R159 S216 T270 E272 E274 M319 Q348 L350	R159-D321 IonicContact CZ-OD2 3.64Å; R159-D321 IonicContact NH2-OD1 2.81Å; R159-D321 IonicContact NH2-OD2 2.68Å; R159-D321 PolarHBondContact NH2-OD2 2.95Å; S216-D321 PolarHBondContact OG-OD2 3.02Å; T270-D321 WeakPolarHBondContact CB-OD2 3.06Å; T270-D321 HydrophobicContact CG2-CB 3.83Å; T270-D321 WeakPolarHBondContact CG2-OD2 3.31Å; T270-D321 PolarHBondContact OG1-OD2 3.47Å; E272-D321 WeakPolarHBondContact O-CB 3.48Å; E274-D321 PolarHBondContact N-O 2.05Å; M319-D321 PolarHBondContact O-N 2.98Å; M319-D321 VanDerWaalsContact O-N 3.1Å; D321-Q348 WeakPolarHBondContact CA-O 3.48Å; D321-Q348 HydrophobicContact CB-CB 3.95Å; D321-Q348 HydrophobicContact CB-CG 4.06Å; D321-Q348 PolarHBondContact N-O 3.29Å; D321-Q348 WeakPolarHBondContact OD1-CG 3.43Å; D321-L350 WeakPolarHBondContact O-CD1 3.05Å; D321-L350 WeakPolarHBondContact OD1-CD2 3.49Å
322	D	89	Confident	89.4	Confident	5 Å²	5	58 Å²	58	3%	0.027	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	178.1	-174.4	-148.9	-31.6	0	0	0	110.4	E274 P275 S276 L320 L326 V349 L350	E274-D322 VanDerWaalsContact C-OD2 3.28Å; E274-D322 WeakPolarHBondContact CA-OD2 3.25Å; P275-D322 WeakPolarHBondContact CD-OD2 3.22Å; P275-D322 HydrophobicContact CG-CB 4.44Å; S276-D322 WeakPolarHBondContact CB-OD2 3.41Å; S276-D322 PolarHBondContact N-OD2 3Å; S276-D322 PolarHBondContact OG-OD1 2.03Å; S276-D322 PolarHBondContact OG-OD2 3.33Å; L320-D322 HydrophobicContact CD1-CB 3.68Å; L320-D322 HydrophobicContact CG-CB 4.02Å; L320-D322 PolarHBondContact O-N 2.85Å; D322-L326 HydrophobicContact CB-CD1 3.84Å; D322-V349 CarbonylContact O-C 3.54Å; D322-V349 WeakPolarHBondContact O-CA 3.46Å; D322-L350 PolarHBondContact O-N 2.97Å
323	Q	80.3	Confident	89.5	Confident	85 Å²	85	57.6 Å²	57.6	40%	0.397	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	144.7	-179.7	41	163.9	-12.7	0	0	113.7	L325 L326	Q323-L325 PolarHBondContact O-N 3.16Å; Q323-L325 VanDerWaalsContact O-N 3.08Å; Q323-L326 HydrophobicContact CG-CD1 4.07Å; Q323-L326 HydrophobicContact CG-CG 4.16Å; Q323-L326 PolarHBondContact O-N 3.13Å
324	R	80.6	Confident	89.6	Confident	146 Å²	146	52.7 Å²	52.7	55%	0.551	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-61	-23.2	-177.9	83.8	176.7	177.8	95.7	-4.9	114.5	L326 L327 V349	R324-L326 PolarHBondContact O-N 3.42Å; R324-L327 WeakPolarHBondContact O-CB 2.93Å; R324-L327 PolarHBondContact O-N 3.1Å; R324-V349 HydrophobicContact CB-CG1 3.71Å
325	L	88.1	Confident	89.3	Confident	129 Å²	129	50.5 Å²	50.5	68%	0.675	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-64.7	-19.3	-175.9	-64.5	178.6	0	0	0	112.4	Q323 L327	Q323-L325 PolarHBondContact O-N 3.16Å; Q323-L325 VanDerWaalsContact O-N 3.08Å; L325-L327 PolarHBondContact O-N 2.88Å
326	L	85.9	Confident	89.2	Confident	44 Å²	44	55 Å²	55	23%	0.23	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-77.4	-10.8	175.1	-58.4	174.5	0	0	0	112.6	L320 D322 Q323 R324 H329 W330	L320-L326 HydrophobicContact CD1-CB 4.01Å; L320-L326 HydrophobicContact CD1-CD1 4.03Å; D322-L326 HydrophobicContact CB-CD1 3.84Å; Q323-L326 HydrophobicContact CG-CD1 4.07Å; Q323-L326 HydrophobicContact CG-CG 4.16Å; Q323-L326 PolarHBondContact O-N 3.13Å; R324-L326 PolarHBondContact O-N 3.42Å; L326-H329 PolarHBondContact O-N 3.13Å; L326-W330 PolarHBondContact O-N 3.43Å
327	L	84.4	Confident	89.2	Confident	43 Å²	43	50.9 Å²	50.9	23%	0.225	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	146.5	172.6	-66.1	174.6	0	0	0	111.1	L320 R324 L325 A331 F347 V349	L320-L327 HydrophobicContact CD2-CD1 3.86Å; L320-L327 HydrophobicContact CD2-CD2 3.85Å; L320-L327 HydrophobicContact CD2-CG 3.66Å; R324-L327 WeakPolarHBondContact O-CB 2.93Å; R324-L327 PolarHBondContact O-N 3.1Å; L325-L327 PolarHBondContact O-N 2.88Å; L327-A331 HydrophobicContact CD2-CB 3.7Å; L327-F347 HydrophobicContact CD1-CD2 4.05Å; L327-F347 HydrophobicContact CD1-CE2 3.83Å; L327-V349 HydrophobicContact CD1-CG2 3.75Å
328	P	93.9	Very high	89.1	Confident	84 Å²	84	54.4 Å²	54.4	55%	0.545	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.5	0.5	4.9	35.6	-36.5	0	0	0	114	W330 A331 K332	P328-W330 PolarHBondContact O-N 2.65Å; P328-A331 PolarHBondContact O-N 3.12Å; P328-K332 WeakPolarHBondContact O-CG 3.33Å; P328-K332 PolarHBondContact O-N 2.93Å
329	H	96.1	Very high	88.9	Confident	109 Å²	109	58.8 Å²	58.8	51%	0.505	30%	0.301	S	S	.	.	H	α-helix	trans	-58.6	-49.3	-171.4	176.5	65.4	0	0	0	112.8	L326 A331 K332 V333	L326-H329 PolarHBondContact O-N 3.13Å; H329-A331 PolarHBondContact O-N 3.25Å; H329-K332 WeakPolarHBondContact O-CB 3.43Å; H329-K332 PolarHBondContact O-N 2.88Å; H329-K332 VanDerWaalsContact O-N 3.13Å; H329-V333 PolarHBondContact O-N 2.79Å
330	W	93.7	Very high	88.4	Confident	7 Å²	7	58.8 Å²	58.8	3%	0.027	30%	0.301	C	S	.	.	H	α-helix	trans	-56.4	-48	177.9	-118.4	51.2	0	0	0	113.1	P275 P292 Q295 M319 L320 L326 P328 K332 V333 V334	P275-W330 HydrophobicContact CB-CH2 3.6Å; P275-W330 HydrophobicContact CB-CZ2 3.96Å; P275-W330 HydrophobicContact CG-CH2 3.04Å; P275-W330 HydrophobicContact CG-CZ2 3.7Å; P275-W330 HydrophobicContact CG-CZ3 3.74Å; P292-W330 VanDerWaalsContact CA-NE1 3.35Å; P292-W330 HydrophobicContact CB-CD2 4.47Å; P292-W330 HydrophobicContact CB-CG 4.04Å; P292-W330 VanDerWaalsContact CB-NE1 3.3Å; P292-W330 VanDerWaalsContact CD-NE1 3.27Å; P292-W330 VanDerWaalsContact CG-CD1 3.47Å; Q295-W330 HydrophobicContact CB-CH2 3.98Å; Q295-W330 HydrophobicContact CB-CZ2 4.25Å; Q295-W330 HydrophobicContact CG-CH2 4.14Å; Q295-W330 HydrophobicContact CG-CZ3 4.41Å; Q295-W330 VanDerWaalsContact NE2-CZ3 3.3Å; Q295-W330 VanDerWaalsContact OE1-CH2 3.26Å; M319-W330 HydrophobicContact CE-CB 4.4Å; M319-W330 HydrophobicContact CE-CD2 4.49Å; M319-W330 HydrophobicContact CE-CE3 3.83Å; L320-W330 HydrophobicContact CB-CE3 3.61Å; L320-W330 HydrophobicContact CB-CZ3 3.99Å; L320-W330 HydrophobicContact CD1-CB 4.12Å; L320-W330 HydrophobicContact CD1-CD2 3.54Å; L320-W330 HydrophobicContact CD1-CE3 3.18Å; L320-W330 HydrophobicContact CD1-CG 3.94Å; L320-W330 HydrophobicContact CD1-CZ3 3.83Å; L320-W330 HydrophobicContact CG-CE3 3.95Å; L320-W330 HydrophobicContact CG-CZ3 4.45Å; L326-W330 PolarHBondContact O-N 3.43Å; P328-W330 PolarHBondContact O-N 2.65Å; W330-K332 VanDerWaalsContact C-N 3.31Å; W330-K332 PolarHBondContact O-N 2.99Å; W330-V333 PolarHBondContact O-N 2.96Å; W330-V334 WeakPolarHBondContact O-CG2 3.27Å; W330-V334 PolarHBondContact O-N 3.48Å; W330-V334 VanDerWaalsContact O-N 3.07Å
331	A	87.9	Confident	87.7	Confident	16 Å²	16	60.5 Å²	60.5	13%	0.132	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-41	177.9	0	0	0	0	0	111.5	L327 P328 H329 L335	L327-A331 HydrophobicContact CD2-CB 3.7Å; P328-A331 PolarHBondContact O-N 3.12Å; H329-A331 PolarHBondContact O-N 3.25Å; A331-L335 HydrophobicContact CB-CD1 4.08Å; A331-L335 WeakPolarHBondContact O-CA 3.31Å; A331-L335 WeakPolarHBondContact O-CB 3.34Å; A331-L335 VanDerWaalsContact O-CG 3.28Å; A331-L335 WeakPolarHBondContact O-CG 3.47Å; A331-L335 PolarHBondContact O-N 3.47Å
332	K	92.8	Very high	86.8	Confident	133 Å²	133	67.7 Å²	67.7	58%	0.578	35%	0.346	S	S	*	.	H	α-helix	trans	-61.3	-46.9	176	-73.2	178.2	178.9	-175.8	0	111.6	P328 H329 W330 V334 T336	P328-K332 WeakPolarHBondContact O-CG 3.33Å; P328-K332 PolarHBondContact O-N 2.93Å; H329-K332 WeakPolarHBondContact O-CB 3.43Å; H329-K332 PolarHBondContact O-N 2.88Å; H329-K332 VanDerWaalsContact O-N 3.13Å; W330-K332 VanDerWaalsContact C-N 3.31Å; W330-K332 PolarHBondContact O-N 2.99Å; K332-V334 PolarHBondContact O-N 2.92Å; K332-T336 VanDerWaalsContact O-CB 3.29Å; K332-T336 WeakPolarHBondContact O-CB 3.32Å; K332-T336 WeakPolarHBondContact O-CG2 3.08Å; K332-T336 PolarHBondContact O-N 3.2Å; K332-T336 PolarHBondContact O-OG1 3.46Å
333	V	95.6	Very high	85.5	Confident	21 Å²	21	68.6 Å²	68.6	13%	0.127	36%	0.357	C	S	.	.	H	α-helix	trans	-64.4	-43.7	-177.5	176.4	0	0	0	0	111.7	P292 E293 R296 H329 W330	P292-V333 HydrophobicContact CB-CB 3.74Å; P292-V333 HydrophobicContact CB-CG1 3.77Å; P292-V333 HydrophobicContact CB-CG2 4.03Å; P292-V333 HydrophobicContact CG-CG2 4.38Å; E293-V333 HydrophobicContact CG-CG1 3.99Å; R296-V333 WeakPolarHBondContact CD-O 3.39Å; H329-V333 PolarHBondContact O-N 2.79Å; W330-V333 PolarHBondContact O-N 2.96Å
334	V	90.8	Very high	84.5	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-80.8	-45.1	-175.8	-177.6	0	0	0	0	112.2	R296 I299 M319 W330 K332 D337 A340 L344	R296-V334 HydrophobicContact CB-CB 4.4Å; R296-V334 HydrophobicContact CB-CG1 4.42Å; R296-V334 HydrophobicContact CB-CG2 4.04Å; I299-V334 HydrophobicContact CD1-CG1 4.29Å; M319-V334 HydrophobicContact CE-CB 3.52Å; M319-V334 HydrophobicContact CE-CG1 4.03Å; M319-V334 HydrophobicContact CE-CG2 3.46Å; M319-V334 VanDerWaalsContact CE-CG2 3.46Å; M319-V334 HydrophobicContact SD-CB 3.73Å; M319-V334 HydrophobicContact SD-CG1 3.73Å; M319-V334 HydrophobicContact SD-CG2 4.29Å; W330-V334 WeakPolarHBondContact O-CG2 3.27Å; W330-V334 PolarHBondContact O-N 3.48Å; W330-V334 VanDerWaalsContact O-N 3.07Å; K332-V334 PolarHBondContact O-N 2.92Å; V334-D337 PolarHBondContact O-N 3.1Å; V334-A340 HydrophobicContact CG1-CB 4.17Å; V334-L344 HydrophobicContact CG1-CD1 3.48Å; V334-L344 VanDerWaalsContact CG1-CD1 3.48Å
335	L	86.4	Confident	82.8	Confident	75 Å²	75	61.9 Å²	61.9	39%	0.393	34%	0.339	S	S	.	.	H	α-helix	trans	-82.5	-13.5	-171.7	-57.5	176.2	0	0	0	114.3	M319 A331 D337 L344	M319-L335 HydrophobicContact SD-CD2 3.91Å; M319-L335 HydrophobicContact SD-CG 4.02Å; A331-L335 HydrophobicContact CB-CD1 4.08Å; A331-L335 WeakPolarHBondContact O-CA 3.31Å; A331-L335 WeakPolarHBondContact O-CB 3.34Å; A331-L335 VanDerWaalsContact O-CG 3.28Å; A331-L335 WeakPolarHBondContact O-CG 3.47Å; A331-L335 PolarHBondContact O-N 3.47Å; L335-D337 VanDerWaalsContact C-N 3.29Å; L335-L344 HydrophobicContact CD2-CD1 3.85Å
336	T	91.3	Very high	81.4	Confident	112 Å²	112	57 Å²	57	69%	0.687	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-15	173.2	55.9	0	0	0	0	112.7	K332	K332-T336 VanDerWaalsContact O-CB 3.29Å; K332-T336 WeakPolarHBondContact O-CB 3.32Å; K332-T336 WeakPolarHBondContact O-CG2 3.08Å; K332-T336 PolarHBondContact O-N 3.2Å; K332-T336 PolarHBondContact O-OG1 3.46Å
337	D	89.8	Confident	79.8	Confident	42 Å²	42	59.9 Å²	59.9	23%	0.225	33%	0.331	C	S	.	.	S	Bend	trans	-86.5	115.3	170.4	-175.7	-33.7	0	0	0	109.7	R296 V334 L335 E339 A340 A341	R296-D337 WeakPolarHBondContact CD-OD2 3.48Å; R296-D337 HydrophobicContact CG-CB 3.93Å; R296-D337 IonicContact NE-OD2 3.44Å; V334-D337 PolarHBondContact O-N 3.1Å; L335-D337 VanDerWaalsContact C-N 3.29Å; D337-E339 VanDerWaalsContact C-N 3.27Å; D337-E339 PolarHBondContact O-N 2.8Å; D337-E339 PolarHBondContact OD1-N 2.87Å; D337-A340 HydrophobicContact CB-CB 4.15Å; D337-A340 PolarHBondContact O-N 2.68Å; D337-A340 PolarHBondContact OD1-N 3.37Å; D337-A341 WeakPolarHBondContact O-CB 3.44Å; D337-A341 PolarHBondContact O-N 2.85Å
338	P	86.7	Confident	78.3	Confident	78 Å²	78	60.3 Å²	60.3	51%	0.506	33%	0.331	S	S	.	.	H	α-helix	trans	-65.9	-27.9	-175.6	27.3	-34.6	0	0	0	113.2	K342	P338-K342 WeakPolarHBondContact O-CD 3.38Å; P338-K342 WeakPolarHBondContact O-CG 3.41Å; P338-K342 PolarHBondContact O-N 2.96Å; P338-K342 VanDerWaalsContact O-N 3.15Å
339	E	85.8	Confident	76.3	Confident	106 Å²	106	56.8 Å²	56.8	50%	0.495	31%	0.309	S	S	.	.	H	α-helix	trans	-75.1	-37.2	179.4	-62.4	-51.4	124.4	0	0	111.1	A300 D337 K342	A300-E339 HydrophobicContact CB-CB 4.15Å; D337-E339 VanDerWaalsContact C-N 3.27Å; D337-E339 PolarHBondContact O-N 2.8Å; D337-E339 PolarHBondContact OD1-N 2.87Å; E339-K342 IonicContact OE1-NZ 2.79Å; E339-K342 PolarHBondContact OE1-NZ 2.84Å; E339-K342 IonicContact OE2-NZ 2.7Å; E339-K342 PolarHBondContact OE2-NZ 3.36Å
340	A	75.5	Confident	74.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-69	-42.8	171	0	0	0	0	0	111.7	R296 A300 V334 D337 K342 G343 L344	R296-A340 HydrophobicContact CG-CB 3.78Å; A300-A340 HydrophobicContact CB-CB 4.04Å; V334-A340 HydrophobicContact CG1-CB 4.17Å; D337-A340 HydrophobicContact CB-CB 4.15Å; D337-A340 PolarHBondContact O-N 2.68Å; D337-A340 PolarHBondContact OD1-N 3.37Å; A340-K342 PolarHBondContact O-N 2.84Å; A340-G343 PolarHBondContact O-N 3.31Å; A340-L344 WeakPolarHBondContact O-CG 3.23Å
341	A	74.9	Confident	71.4	Confident	35 Å²	35	55.9 Å²	55.9	29%	0.289	32%	0.32	S	S	.	.	H	α-helix	trans	-64.3	-35.7	-176.1	0	0	0	0	0	113.2	D337 G343 L344	D337-A341 WeakPolarHBondContact O-CB 3.44Å; D337-A341 PolarHBondContact O-N 2.85Å; A341-G343 PolarHBondContact O-N 3.35Å; A341-L344 PolarHBondContact O-N 2.83Å; A341-L344 VanDerWaalsContact O-N 3.11Å
342	K	73.1	Confident	68.8	Low	152 Å²	152	60.7 Å²	60.7	66%	0.661	36%	0.359	S	S	*	.	H	α-helix	trans	-58.3	-34.2	177.2	-77.8	165.6	-173.6	171.7	0	113.1	P338 E339 A340 L344	P338-K342 WeakPolarHBondContact O-CD 3.38Å; P338-K342 WeakPolarHBondContact O-CG 3.41Å; P338-K342 PolarHBondContact O-N 2.96Å; P338-K342 VanDerWaalsContact O-N 3.15Å; E339-K342 IonicContact OE1-NZ 2.79Å; E339-K342 PolarHBondContact OE1-NZ 2.84Å; E339-K342 IonicContact OE2-NZ 2.7Å; E339-K342 PolarHBondContact OE2-NZ 3.36Å; A340-K342 PolarHBondContact O-N 2.84Å; K342-L344 VanDerWaalsContact C-N 3.34Å
343	G	61.3	Low	66.4	Low	24 Å²	24	58.1 Å²	58.1	25%	0.247	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-6.4	179.7	0	0	0	0	0	114.4	A340 A341	A340-G343 PolarHBondContact O-N 3.31Å; A341-G343 PolarHBondContact O-N 3.35Å
344	L	59.1	Low	63.5	Low	23 Å²	23	60.6 Å²	60.6	12%	0.12	37%	0.367	C	S	.	.			trans	-105.9	141.5	-170.3	-75.2	172.2	0	0	0	113.5	I299 L317 M319 V334 L335 A340 A341 K342	I299-L344 HydrophobicContact CD1-CD1 4.36Å; I299-L344 HydrophobicContact CD1-CD2 4.15Å; I299-L344 HydrophobicContact CG2-CD1 4.46Å; I299-L344 HydrophobicContact CG2-CD2 4.35Å; I299-L344 HydrophobicContact CG2-CG 4.14Å; L317-L344 HydrophobicContact CB-CD2 4.33Å; L317-L344 HydrophobicContact CD2-CD2 4.04Å; L317-L344 HydrophobicContact CG-CD2 3.82Å; M319-L344 HydrophobicContact CB-CD1 4.19Å; M319-L344 HydrophobicContact CB-CD2 3.9Å; M319-L344 HydrophobicContact CG-CD1 4.22Å; M319-L344 HydrophobicContact CG-CD2 4.39Å; M319-L344 HydrophobicContact SD-CD1 3.93Å; V334-L344 HydrophobicContact CG1-CD1 3.48Å; V334-L344 VanDerWaalsContact CG1-CD1 3.48Å; L335-L344 HydrophobicContact CD2-CD1 3.85Å; A340-L344 WeakPolarHBondContact O-CG 3.23Å; A341-L344 PolarHBondContact O-N 2.83Å; A341-L344 VanDerWaalsContact O-N 3.11Å; K342-L344 VanDerWaalsContact C-N 3.34Å
345	C	46.2	Very low	60.8	Low	67 Å²	67	61.9 Å²	61.9	45%	0.453	38%	0.377	S	S	.	.			trans	-108.6	-15.6	177.1	-63.3	0	0	0	0	112.9	R316 L317	R316-C345 HydrophobicContact CB-CB 3.83Å; R316-C345 WeakPolarHBondContact CD-SG 3.39Å; R316-C345 HydrophobicContact CG-CB 4.32Å; L317-C345 PolarHBondContact O-N 3.38Å
346	G	57.4	Low	58.3	Low	26 Å²	26	59.6 Å²	59.6	27%	0.268	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	168.7	-167.7	179.8	0	0	0	0	0	112.4	L318 M319	L318-G346 WeakPolarHBondContact CA-O 3.27Å; M319-G346 WeakPolarHBondContact CG-O 3.47Å; M319-G346 PolarHBondContact N-O 2.86Å
347	F	52.2	Low	55.9	Low	104 Å²	104	60 Å²	60	46%	0.456	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.8	174.3	55	-91.5	0	0	0	110.2	M319 L320 L327 V349	M319-F347 HydrophobicContact CG-CB 3.59Å; M319-F347 CarbonylContact O-C 3.54Å; M319-F347 VanDerWaalsContact O-CA 3.29Å; M319-F347 WeakPolarHBondContact O-CA 3.49Å; M319-F347 HydrophobicContact SD-CB 4.43Å; L320-F347 HydrophobicContact CB-CB 4.23Å; L327-F347 HydrophobicContact CD1-CD2 4.05Å; L327-F347 HydrophobicContact CD1-CE2 3.83Å; F347-V349 HydrophobicContact CD2-CG2 3.98Å; F347-V349 HydrophobicContact CE2-CG2 4.22Å
348	Q	53.3	Low	53.6	Low	52 Å²	52	58.9 Å²	58.9	24%	0.243	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	140.6	175.1	-178.9	59.9	44.6	0	0	109.3	T270 L318 M319 L320 D321	T270-Q348 HydrophobicContact CG2-CB 4.18Å; T270-Q348 HydrophobicContact CG2-CG 4.33Å; L318-Q348 HydrophobicContact CB-CB 4.35Å; L318-Q348 HydrophobicContact CD1-CB 4.36Å; M319-Q348 PolarHBondContact O-N 3Å; L320-Q348 VanDerWaalsContact CB-O 3.27Å; L320-Q348 WeakPolarHBondContact CB-O 3.41Å; L320-Q348 WeakPolarHBondContact CG-O 3.48Å; D321-Q348 WeakPolarHBondContact CA-O 3.48Å; D321-Q348 HydrophobicContact CB-CB 3.95Å; D321-Q348 HydrophobicContact CB-CG 4.06Å; D321-Q348 PolarHBondContact N-O 3.29Å; D321-Q348 WeakPolarHBondContact OD1-CG 3.43Å
349	V	53	Low	51	Low	11 Å²	11	55.8 Å²	55.8	7%	0.067	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.6	175	179	0	0	0	0	108.3	L320 D322 R324 L327 F347	L320-V349 HydrophobicContact CD2-CG2 3.99Å; D322-V349 CarbonylContact O-C 3.54Å; D322-V349 WeakPolarHBondContact O-CA 3.46Å; R324-V349 HydrophobicContact CB-CG1 3.71Å; L327-V349 HydrophobicContact CD1-CG2 3.75Å; F347-V349 HydrophobicContact CD2-CG2 3.98Å; F347-V349 HydrophobicContact CE2-CG2 4.22Å
350	L	50.6	Low	48.4	Very low	47 Å²	47	53.4 Å²	53.4	25%	0.246	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.7	174	-66.1	177.2	0	0	0	110.9	E274 D321 D322	E274-L350 HydrophobicContact CG-CD1 3.34Å; D321-L350 WeakPolarHBondContact O-CD1 3.05Å; D321-L350 WeakPolarHBondContact OD1-CD2 3.49Å; D322-L350 PolarHBondContact O-N 2.97Å
351	G	36.6	Very low	46.3	Very low	50 Å²	50	54.9 Å²	54.9	52%	0.515	35%	0.345	S	S	.	.			trans	168	145.8	176.6	0	0	0	0	0	110.8	E353	G351-E353 PolarHBondContact O-N 3.43Å
352	A	32.4	Very low	44.1	Very low	116 Å²	116	64.4 Å²	64.4	96%	0.959	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	15.4	177.1	0	0	0	0	0	113.9
353	E	42.8	Very low	41.9	Very low	79 Å²	79	63.3 Å²	63.3	37%	0.369	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	12.8	-153.7	-64.2	176.1	-178	0	0	113.6	G351 A355 A356 R357 A364	G351-E353 PolarHBondContact O-N 3.43Å; E353-A355 VanDerWaalsContact C-N 3.26Å; E353-A355 PolarHBondContact O-N 2.95Å; E353-A356 HydrophobicContact CB-CB 4.27Å; E353-A356 WeakPolarHBondContact O-CB 3.49Å; E353-A356 PolarHBondContact O-N 3Å; E353-R357 PolarHBondContact O-N 3Å; E353-R357 VanDerWaalsContact O-N 3.15Å; E353-A364 HydrophobicContact CG-CB 4.27Å
354	C	33.3	Very low	40.6	Very low	74 Å²	74	64.6 Å²	64.6	50%	0.5	38%	0.383	S	S	.	.	H	α-helix	trans	-59.5	-34.8	-177.8	-76.1	0	0	0	0	113	R357	C354-R357 PolarHBondContact O-N 3.37Å
355	A	34.2	Very low	39.1	Very low	27 Å²	27	69.7 Å²	69.7	22%	0.223	42%	0.415	C	S	.	.	H	α-helix	trans	-68.8	-37.2	172.7	0	0	0	0	0	112.7	E353 R357 L358 L359 F407	E353-A355 VanDerWaalsContact C-N 3.26Å; E353-A355 PolarHBondContact O-N 2.95Å; A355-R357 PolarHBondContact O-N 2.95Å; A355-L358 PolarHBondContact O-N 3.5Å; A355-L359 WeakPolarHBondContact O-CG 3.36Å; A355-L359 PolarHBondContact O-N 3.31Å; A355-F407 HydrophobicContact CB-CD2 4.09Å; A355-F407 HydrophobicContact CB-CE2 3.83Å; A355-F407 HydrophobicContact CB-CZ 4.16Å
356	A	35.7	Very low	38	Very low	26 Å²	26	74.6 Å²	74.6	22%	0.215	43%	0.431	C	S	.	.	H	α-helix	trans	-64	-26.6	176.9	0	0	0	0	0	112.6	E353 L359 G360 S361	E353-A356 HydrophobicContact CB-CB 4.27Å; E353-A356 WeakPolarHBondContact O-CB 3.49Å; E353-A356 PolarHBondContact O-N 3Å; A356-L359 CarbonylContact O-C 3.17Å; A356-L359 PolarHBondContact O-N 3.08Å; A356-G360 PolarHBondContact O-N 3.33Å; A356-S361 PolarHBondContact O-N 3.46Å; A356-S361 VanDerWaalsContact O-N 3.17Å
357	R	40.4	Very low	36.4	Very low	121 Å²	121	79 Å²	79	46%	0.457	45%	0.454	S	S	.	.	H	α-helix	trans	-73.4	-35.5	174.2	-78.6	-180	162.2	170.5	-6	114.1	E353 C354 A355 G360	E353-R357 PolarHBondContact O-N 3Å; E353-R357 VanDerWaalsContact O-N 3.15Å; C354-R357 PolarHBondContact O-N 3.37Å; A355-R357 PolarHBondContact O-N 2.95Å; R357-G360 PolarHBondContact O-N 3.47Å
358	L	40.5	Very low	35	Very low	18 Å²	18	81.7 Å²	81.7	9%	0.094	47%	0.469	C	S	.	.	H	α-helix	trans	-61.8	-42	168.8	-76.7	171.6	0	0	0	109.6	F120 A355 G360 F407 V431 L433	F120-L358 HydrophobicContact CE1-CD1 3.82Å; F120-L358 HydrophobicContact CZ-CD1 3.68Å; A355-L358 PolarHBondContact O-N 3.5Å; L358-G360 VanDerWaalsContact C-N 3.3Å; L358-G360 PolarHBondContact O-N 3.24Å; L358-F407 HydrophobicContact CB-CE1 4.33Å; L358-F407 HydrophobicContact CD1-CD1 3.83Å; L358-F407 HydrophobicContact CD1-CE1 4.28Å; L358-V431 HydrophobicContact CB-CG1 4.23Å; L358-V431 HydrophobicContact CB-CG2 4.24Å; L358-V431 VanDerWaalsContact O-CB 3.26Å; L358-V431 WeakPolarHBondContact O-CB 3.48Å; L358-V431 WeakPolarHBondContact O-CG2 3.22Å; L358-L433 HydrophobicContact CD2-CD2 4.48Å
359	L	33.3	Very low	33.7	Very low	14 Å²	14	87.1 Å²	87.1	7%	0.073	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-7.6	179.6	-68.8	176.1	0	0	0	115.2	A355 A356 S361 F407 D429 V431 L445	A355-L359 WeakPolarHBondContact O-CG 3.36Å; A355-L359 PolarHBondContact O-N 3.31Å; A356-L359 CarbonylContact O-C 3.17Å; A356-L359 PolarHBondContact O-N 3.08Å; L359-S361 VanDerWaalsContact C-N 3.26Å; L359-S361 PolarHBondContact O-N 2.97Å; L359-F407 HydrophobicContact CD1-CZ 3.85Å; L359-F407 HydrophobicContact CD2-CE1 4.4Å; L359-F407 HydrophobicContact CD2-CZ 4.16Å; L359-F407 HydrophobicContact CG-CE1 4.27Å; L359-F407 HydrophobicContact CG-CZ 3.9Å; L359-D429 HydrophobicContact CB-CB 3.92Å; L359-D429 HydrophobicContact CD1-CB 4.37Å; L359-D429 HydrophobicContact CD2-CB 4.29Å; L359-D429 HydrophobicContact CG-CB 4.43Å; L359-V431 HydrophobicContact CD2-CB 4.3Å; L359-V431 HydrophobicContact CD2-CG1 3.87Å; L359-L445 HydrophobicContact CD1-CB 4.02Å; L359-L445 HydrophobicContact CD1-CD2 3.74Å
360	G	30.7	Very low	32.4	Very low	55 Å²	55	95 Å²	95	57%	0.567	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	13.3	176.5	0	0	0	0	0	116	A356 R357 L358	A356-G360 PolarHBondContact O-N 3.33Å; R357-G360 PolarHBondContact O-N 3.47Å; L358-G360 VanDerWaalsContact C-N 3.3Å; L358-G360 PolarHBondContact O-N 3.24Å
361	S	30.3	Very low	31.4	Very low	31 Å²	31	101.8 Å²	101.8	22%	0.217	56%	0.559	C	S	.	*			trans	-68	131.9	-175	-52.2	0	0	0	0	112.4	A356 L359 D429	A356-S361 PolarHBondContact O-N 3.46Å; A356-S361 VanDerWaalsContact O-N 3.17Å; L359-S361 VanDerWaalsContact C-N 3.26Å; L359-S361 PolarHBondContact O-N 2.97Å; S361-D429 PolarHBondContact OG-OD1 3.07Å; S361-D429 PolarHBondContact OG-OD2 3Å
362	R	28.6	Very low	30.8	Very low	236 Å²	236	109.1 Å²	109.1	89%	0.891	58%	0.577	S	S	*	*	S	Bend	trans	-86.5	-18.4	-179.9	-70.2	-176.7	-179.3	-172.9	-0.2	114.6
363	D	28.3	Very low	30.5	Very low	128 Å²	128	108.8 Å²	108.8	68%	0.684	57%	0.565	S	S	*	*			trans	-131.1	113.2	-175.4	-60.2	-52.3	0	0	0	110.6	R447	D363-R447 PolarHBondContact O-NH1 2.74Å
364	A	33.4	Very low	30	Very low	51 Å²	51	111.2 Å²	111.2	42%	0.421	59%	0.588	S	S	.	*			trans	-125.4	135.7	171.1	0	0	0	0	0	109.8	E353	E353-A364 HydrophobicContact CG-CB 4.27Å
365	V	28	Very low	29.9	Very low	130 Å²	130	114 Å²	114	79%	0.788	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-79.3	130.4	-167.4	171.8	0	0	0	0	110.7
366	Q	22	Very low	29.5	Very low	171 Å²	171	118.4 Å²	118.4	80%	0.799	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-61.2	145.4	170.6	-76.1	-175.5	-28.4	0	0	111.3	Q368	Q366-Q368 PolarHBondContact O-N 3.06Å
367	P	25.5	Very low	28.9	Very low	117 Å²	117	122.9 Å²	122.9	76%	0.76	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-59.3	122.6	171.9	-17	29	0	0	0	110.5
368	Q	21.6	Very low	28.4	Very low	161 Å²	161	120.9 Å²	120.9	75%	0.752	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-79.2	121.7	170.6	-72.3	-179	-13.7	0	0	109.4	Q366	Q366-Q368 PolarHBondContact O-N 3.06Å
369	H	26.6	Very low	28.3	Very low	167 Å²	167	130.4 Å²	130.4	77%	0.773	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-77.7	123.8	172.5	-73	-73.6	0	0	0	110.4
370	H	26	Very low	28.3	Very low	175 Å²	175	134.1 Å²	134.1	81%	0.81	73%	0.728	S	S	*	*			trans	-115.3	132.1	167.1	-82.8	-45.7	0	0	0	111.5
371	H	29	Very low	28.5	Very low	190 Å²	190	138 Å²	138	88%	0.88	74%	0.736	S	S	*	*			trans	-69.1	130.6	-172.8	-71.3	-45.4	0	0	0	114.9
372	K	24.9	Very low	29.9	Very low	204 Å²	204	142.5 Å²	142.5	89%	0.887	75%	0.748	S	S	*	*			trans	-151.3	159	153	-84	-158.7	-178.6	176.5	0	111.6
373	P	25.6	Very low	31.8	Very low	109 Å²	109	138 Å²	138	71%	0.708	74%	0.741	S	S	*	*			trans	-88.6	176.4	-150.6	39	-37.1	0	0	0	114.8
374	P	32.4	Very low	34.3	Very low	130 Å²	130	135.1 Å²	135.1	84%	0.844	72%	0.724	S	S	*	*			trans	-87.6	139.9	-133.9	35.1	-36.1	0	0	0	115.1
375	V	30.6	Very low	37.1	Very low	132 Å²	132	134.1 Å²	134.1	80%	0.8	71%	0.713	S	S	*	*			trans	-135.7	137.1	167	-161.4	0	0	0	0	107.5
376	P	26.3	Very low	40.3	Very low	120 Å²	120	128.4 Å²	128.4	78%	0.779	68%	0.678	S	S	*	*	S	Bend	trans	-78.9	152.5	-162.7	-4.8	22.2	0	0	0	113.6
377	C	23.1	Very low	43.8	Very low	120 Å²	120	123.4 Å²	123.4	81%	0.811	66%	0.656	S	S	*	*	S	Bend	trans	75.4	94.9	176.2	-71.5	0	0	0	0	117.6	R379	C377-R379 PolarHBondContact O-N 2.86Å; C377-R379 VanDerWaalsContact O-N 3.1Å
378	G	29.6	Very low	47.2	Very low	79 Å²	79	119 Å²	119	81%	0.814	63%	0.627	S	S	*	*			trans	69.2	15	135.5	0	0	0	0	0	119.9	L380	G378-L380 PolarHBondContact O-N 3.46Å
379	R	38.5	Very low	50.7	Low	219 Å²	219	112.7 Å²	112.7	83%	0.826	60%	0.598	S	S	*	*			trans	-71.4	113.7	179.3	-78.3	-169.8	-169.8	-162.7	1.8	112.6	C377 D381	C377-R379 PolarHBondContact O-N 2.86Å; C377-R379 VanDerWaalsContact O-N 3.1Å; R379-D381 PolarHBondContact O-N 2.84Å
380	L	34	Very low	53.9	Low	91 Å²	91	108.5 Å²	108.5	48%	0.476	58%	0.58	S	S	.	*			trans	-74.1	106.9	144.1	-126.8	85.9	0	0	0	106.6	G378 R382	G378-L380 PolarHBondContact O-N 3.46Å; L380-R382 VanDerWaalsContact C-N 3.32Å; L380-R382 HydrophobicContact CB-CG 4.21Å; L380-R382 HydrophobicContact CD2-CG 4.08Å; L380-R382 PolarHBondContact O-N 2.79Å
381	D	33.2	Very low	57.2	Low	138 Å²	138	106 Å²	106	74%	0.738	58%	0.577	S	S	*	*			trans	-67.4	91.7	171.4	-71.5	-31.4	0	0	0	108.8	R379	R379-D381 PolarHBondContact O-N 2.84Å
382	R	60.7	Low	60.2	Low	124 Å²	124	102.6 Å²	102.6	47%	0.468	56%	0.56	S	S	.	*			trans	-97.9	137	173.6	-58.7	-163.9	-168	-156.5	2.1	109.6	F167 L380	F167-R382 HydrophobicContact CZ-CB 4.24Å; F167-R382 HydrophobicContact CZ-CG 4.19Å; L380-R382 VanDerWaalsContact C-N 3.32Å; L380-R382 HydrophobicContact CB-CG 4.21Å; L380-R382 HydrophobicContact CD2-CG 4.08Å; L380-R382 PolarHBondContact O-N 2.79Å
383	L	67.4	Low	63.4	Low	142 Å²	142	97.4 Å²	97.4	74%	0.743	54%	0.539	S	S	*	.			trans	-79.2	134.7	175.9	-66.3	169.7	0	0	0	110.2	M400	L383-M400 HydrophobicContact CB-CE 3.61Å; L383-M400 HydrophobicContact CB-SD 4.29Å
384	E	82.3	Confident	66.8	Low	68 Å²	68	93 Å²	93	32%	0.318	51%	0.51	S	S	.	.			trans	-109.1	146.4	177	-64.9	-179.1	168.3	0	0	111.1	I386 Q398 M400	E384-I386 PolarHBondContact O-N 2.99Å; E384-Q398 VanDerWaalsContact O-CG 3.32Å; E384-Q398 WeakPolarHBondContact O-CG 3.39Å; E384-M400 VanDerWaalsContact C-CE 3.42Å; E384-M400 VanDerWaalsContact O-CE 3.28Å; E384-M400 WeakPolarHBondContact O-CE 3.45Å
385	P	91.2	Very high	69.9	Low	30 Å²	30	86.8 Å²	86.8	20%	0.195	47%	0.47	C	S	.	.	S	Bend	trans	-63.4	-23.7	177.9	-22.3	33.1	0	0	0	114.5	Q398 M400 F401 L404	P385-Q398 WeakPolarHBondContact O-CB 3.42Å; P385-Q398 PolarHBondContact O-N 3.29Å; P385-M400 HydrophobicContact CB-CB 4.3Å; P385-M400 HydrophobicContact CG-CB 4.43Å; P385-F401 HydrophobicContact CB-CB 4.02Å; P385-L404 HydrophobicContact CG-CD1 3.9Å
386	I	95.4	Very high	73.2	Confident	9 Å²	9	81.1 Å²	81.1	5%	0.046	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.1	170.8	-68.9	-176.6	0	0	0	108.7	L143 Y147 E384 F395 Y396 K397 F401	L143-I386 HydrophobicContact CD1-CG2 3.96Å; L143-I386 HydrophobicContact CG-CD1 4.17Å; L143-I386 HydrophobicContact CG-CG2 4.35Å; Y147-I386 HydrophobicContact CD2-CD1 4.1Å; Y147-I386 HydrophobicContact CE1-CD1 4.38Å; Y147-I386 HydrophobicContact CE2-CB 4.42Å; Y147-I386 HydrophobicContact CE2-CD1 3.42Å; Y147-I386 VanDerWaalsContact CE2-CD1 3.42Å; Y147-I386 HydrophobicContact CE2-CG1 4.04Å; Y147-I386 WeakPolarHBondContact OH-CG1 3.38Å; E384-I386 PolarHBondContact O-N 2.99Å; I386-F395 HydrophobicContact CD1-CD2 4.29Å; I386-F395 HydrophobicContact CD1-CE2 4.3Å; I386-F395 HydrophobicContact CG2-CB 3.9Å; I386-F395 HydrophobicContact CG2-CD2 3.68Å; I386-F395 HydrophobicContact CG2-CG 4.16Å; I386-Y396 WeakPolarHBondContact CA-O 3.45Å; I386-K397 HydrophobicContact CD1-CG 3.99Å; I386-K397 HydrophobicContact CG1-CG 3.95Å; I386-F401 HydrophobicContact CD1-CD2 4.01Å; I386-F401 HydrophobicContact CD1-CE2 4.11Å; I386-F401 HydrophobicContact CG1-CD2 4.01Å
387	I	96.1	Very high	76.6	Confident	66 Å²	66	75.5 Å²	75.5	34%	0.338	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.3	173	-59.4	-173.1	0	0	0	109.1	F395 Y396 Q398	I387-F395 CarbonylContact O-C 3.52Å; I387-F395 VanDerWaalsContact O-CA 3.23Å; I387-F395 WeakPolarHBondContact O-CA 3.24Å; I387-F395 WeakPolarHBondContact O-CB 3.48Å; I387-Y396 HydrophobicContact CB-CD2 4.46Å; I387-Y396 HydrophobicContact CG2-CD2 4.5Å; I387-Y396 PolarHBondContact N-O 3.47Å; I387-Y396 PolarHBondContact O-N 3.37Å; I387-Q398 HydrophobicContact CG1-CG 4.35Å
388	V	95.8	Very high	80.1	Confident	25 Å²	25	71.7 Å²	71.7	15%	0.152	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130	176.9	178.4	0	0	0	0	110.6	N131 L135 L143 I390 F395	N131-V388 HydrophobicContact CB-CB 4.24Å; N131-V388 HydrophobicContact CB-CG2 4.16Å; L135-V388 HydrophobicContact CD1-CG1 4.16Å; L135-V388 HydrophobicContact CD1-CG2 4.16Å; L135-V388 HydrophobicContact CD2-CG1 3.72Å; L135-V388 HydrophobicContact CG-CG1 3.75Å; L143-V388 HydrophobicContact CD1-CG2 4.03Å; V388-I390 HydrophobicContact CG1-CG1 3.95Å; V388-F395 HydrophobicContact CG2-CB 4.21Å
389	D	96.4	Very high	83.3	Confident	29 Å²	29	69.8 Å²	69.8	16%	0.155	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	94.5	169.1	-177.5	-13.7	0	0	0	108.2	T391 K392 H393 T394 Y396	D389-T391 VanDerWaalsContact C-N 3.25Å; D389-T391 PolarHBondContact O-N 2.58Å; D389-T391 PolarHBondContact OD1-N 2.77Å; D389-T391 PolarHBondContact OD1-OG1 2.78Å; D389-K392 PolarHBondContact O-N 3.27Å; D389-K392 PolarHBondContact OD1-N 2.86Å; D389-K392 WeakPolarHBondContact OD2-CD 3.39Å; D389-K392 WeakPolarHBondContact OD2-CE 3.29Å; D389-K392 IonicContact OD2-NZ 2.7Å; D389-K392 PolarHBondContact OD2-NZ 2.87Å; D389-H393 PolarHBondContact O-N 2.9Å; D389-H393 VanDerWaalsContact O-N 3.12Å; D389-T394 PolarHBondContact N-O 2.86Å; D389-T394 PolarHBondContact O-N 3.46Å; D389-T394 VanDerWaalsContact O-N 3.17Å; D389-Y396 HydrophobicContact CB-CE2 3.7Å; D389-Y396 PolarHBondContact OD2-OH 2.97Å
390	I	93.1	Very high	85.9	Confident	78 Å²	78	62.6 Å²	62.6	40%	0.4	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-62.6	-35.5	-175.1	-56.1	170.4	0	0	0	110.6	A134 V388 K392 H393	A134-I390 HydrophobicContact CB-CD1 3.71Å; A134-I390 HydrophobicContact CB-CG1 3.83Å; A134-I390 HydrophobicContact CB-CG2 4.02Å; V388-I390 HydrophobicContact CG1-CG1 3.95Å; I390-K392 PolarHBondContact O-N 3.28Å; I390-H393 PolarHBondContact O-N 3.38Å
391	T	95.3	Very high	88.9	Confident	122 Å²	122	58.3 Å²	58.3	75%	0.748	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-64.4	-26.3	-177.4	69.3	0	0	0	0	113	D389	D389-T391 VanDerWaalsContact C-N 3.25Å; D389-T391 PolarHBondContact O-N 2.58Å; D389-T391 PolarHBondContact OD1-N 2.77Å; D389-T391 PolarHBondContact OD1-OG1 2.78Å
392	K	92.6	Very high	92	Very high	120 Å²	120	51.8 Å²	51.8	52%	0.522	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-107.9	-1.9	179.8	-61.9	179.7	-166	136.6	0	113	D389 I390 T394	D389-K392 PolarHBondContact O-N 3.27Å; D389-K392 PolarHBondContact OD1-N 2.86Å; D389-K392 WeakPolarHBondContact OD2-CD 3.39Å; D389-K392 WeakPolarHBondContact OD2-CE 3.29Å; D389-K392 IonicContact OD2-NZ 2.7Å; D389-K392 PolarHBondContact OD2-NZ 2.87Å; I390-K392 PolarHBondContact O-N 3.28Å; K392-T394 HydrophobicContact CB-CG2 3.96Å; K392-T394 WeakPolarHBondContact O-CG2 3.16Å; K392-T394 PolarHBondContact O-N 2.9Å
393	H	91.8	Very high	93.7	Very high	94 Å²	94	49.4 Å²	49.4	44%	0.435	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	40.8	-167.7	-62.7	-74.6	0	0	0	112.6	D389 I390	D389-H393 PolarHBondContact O-N 2.9Å; D389-H393 VanDerWaalsContact O-N 3.12Å; I390-H393 PolarHBondContact O-N 3.38Å
394	T	97.1	Very high	95	Very high	17 Å²	17	45.2 Å²	45.2	10%	0.104	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	155.6	178.5	59.5	0	0	0	0	110.7	C57 N58 D389 K392	C57-T394 CarbonylContact O-C 3.56Å; C57-T394 WeakPolarHBondContact O-CA 3.41Å; C57-T394 VanDerWaalsContact O-CB 3.32Å; C57-T394 WeakPolarHBondContact O-CB 3.29Å; N58-T394 HydrophobicContact CB-CG2 3.91Å; D389-T394 PolarHBondContact N-O 2.86Å; D389-T394 PolarHBondContact O-N 3.46Å; D389-T394 VanDerWaalsContact O-N 3.17Å; K392-T394 HydrophobicContact CB-CG2 3.96Å; K392-T394 WeakPolarHBondContact O-CG2 3.16Å; K392-T394 PolarHBondContact O-N 2.9Å
395	F	98.4	Very high	95.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	154	167.7	65.2	-88.2	0	0	0	110.9	C57 C62 L135 L142 L143 I386 I387 V388 K397	C57-F395 HydrophobicContact CB-CD1 3.88Å; C57-F395 HydrophobicContact CB-CD2 3.8Å; C57-F395 HydrophobicContact CB-CE1 3.43Å; C57-F395 VanDerWaalsContact CB-CE1 3.43Å; C57-F395 HydrophobicContact CB-CE2 3.36Å; C57-F395 HydrophobicContact CB-CG 4.06Å; C57-F395 HydrophobicContact CB-CZ 3.16Å; C57-F395 PolarHBondContact N-O 3.01Å; C57-F395 PolarHBondContact O-N 3.03Å; C62-F395 HydrophobicContact CB-CZ 4.35Å; C62-F395 WeakPolarHBondContact SG-CZ 3.47Å; L135-F395 HydrophobicContact CD1-CB 4.42Å; L135-F395 HydrophobicContact CD1-CD1 3.92Å; L142-F395 HydrophobicContact CB-CE1 4.32Å; L142-F395 HydrophobicContact CB-CZ 4.2Å; L143-F395 HydrophobicContact CB-CD1 4.26Å; L143-F395 HydrophobicContact CB-CE1 3.87Å; L143-F395 HydrophobicContact CB-CE2 4.13Å; L143-F395 HydrophobicContact CB-CZ 3.78Å; L143-F395 HydrophobicContact CD1-CB 4.35Å; L143-F395 HydrophobicContact CD1-CD1 4.33Å; L143-F395 HydrophobicContact CD1-CD2 4.33Å; L143-F395 HydrophobicContact CD1-CG 4.1Å; L143-F395 HydrophobicContact CG-CD2 4.38Å; L143-F395 HydrophobicContact CG-CE2 4.33Å; L143-F395 HydrophobicContact CG-CZ 4.46Å; I386-F395 HydrophobicContact CD1-CD2 4.29Å; I386-F395 HydrophobicContact CD1-CE2 4.3Å; I386-F395 HydrophobicContact CG2-CB 3.9Å; I386-F395 HydrophobicContact CG2-CD2 3.68Å; I386-F395 HydrophobicContact CG2-CG 4.16Å; I387-F395 CarbonylContact O-C 3.52Å; I387-F395 VanDerWaalsContact O-CA 3.23Å; I387-F395 WeakPolarHBondContact O-CA 3.24Å; I387-F395 WeakPolarHBondContact O-CB 3.48Å; V388-F395 HydrophobicContact CG2-CB 4.21Å; F395-K397 HydrophobicContact CD2-CG 4.31Å; F395-K397 HydrophobicContact CE2-CD 4.21Å; F395-K397 HydrophobicContact CE2-CG 4.13Å
396	Y	98.3	Very high	96	Very high	13 Å²	13	40.6 Å²	40.6	5%	0.051	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	114.9	-173.3	-55.6	-61.3	0	0	0	109.5	K46 F48 V54 C55 V56 I386 I387 D389 Q398	K46-Y396 HydrophobicContact CD-CE1 4.21Å; F48-Y396 HydrophobicContact CE2-CD1 4.37Å; F48-Y396 HydrophobicContact CE2-CE1 4.36Å; F48-Y396 HydrophobicContact CZ-CD1 4.48Å; F48-Y396 HydrophobicContact CZ-CD2 4.47Å; F48-Y396 HydrophobicContact CZ-CE1 4.08Å; F48-Y396 HydrophobicContact CZ-CE2 4.06Å; F48-Y396 AromaticContact CZ-CZ 3.86Å; V54-Y396 HydrophobicContact CG2-CD1 3.81Å; V54-Y396 HydrophobicContact CG2-CG 4.09Å; C55-Y396 WeakPolarHBondContact O-CA 3.07Å; V56-Y396 HydrophobicContact CB-CD1 4.48Å; V56-Y396 HydrophobicContact CG1-CD1 4.38Å; V56-Y396 HydrophobicContact CG1-CE1 4.11Å; V56-Y396 HydrophobicContact CG2-CD1 4.02Å; V56-Y396 HydrophobicContact CG2-CE1 4.03Å; I386-Y396 WeakPolarHBondContact CA-O 3.45Å; I387-Y396 HydrophobicContact CB-CD2 4.46Å; I387-Y396 HydrophobicContact CG2-CD2 4.5Å; I387-Y396 PolarHBondContact N-O 3.47Å; I387-Y396 PolarHBondContact O-N 3.37Å; D389-Y396 HydrophobicContact CB-CE2 3.7Å; D389-Y396 PolarHBondContact OD2-OH 2.97Å; Y396-Q398 PolarHBondContact O-N 3.28Å
397	K	98.4	Very high	96.1	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	113.1	172.5	-67.3	163.5	68.5	-172.1	0	108.8	V54 C55 D63 I386 F395 F401 Y402	V54-K397 WeakPolarHBondContact CA-O 3.48Å; V54-K397 WeakPolarHBondContact CB-O 3.49Å; C55-K397 HydrophobicContact CB-CB 4.35Å; C55-K397 PolarHBondContact N-O 3.31Å; C55-K397 PolarHBondContact O-N 2.75Å; D63-K397 PolarHBondContact O-NZ 2.92Å; D63-K397 WeakPolarHBondContact OD1-CD 3.21Å; D63-K397 IonicContact OD1-NZ 2.75Å; D63-K397 PolarHBondContact OD1-NZ 3.29Å; D63-K397 IonicContact OD2-NZ 3.68Å; D63-K397 PolarHBondContact OD2-NZ 2.94Å; I386-K397 HydrophobicContact CD1-CG 3.99Å; I386-K397 HydrophobicContact CG1-CG 3.95Å; F395-K397 HydrophobicContact CD2-CG 4.31Å; F395-K397 HydrophobicContact CE2-CD 4.21Å; F395-K397 HydrophobicContact CE2-CG 4.13Å; K397-F401 HydrophobicContact CB-CB 4.41Å; K397-F401 HydrophobicContact CB-CD1 4.33Å; K397-F401 HydrophobicContact CB-CG 4.29Å; K397-F401 HydrophobicContact CD-CE1 4.43Å; K397-F401 VanDerWaalsContact CE-CD1 3.43Å; K397-F401 HydrophobicContact CG-CG 4.43Å; K397-Y402 HydrophobicContact CB-CE2 3.93Å; K397-Y402 WeakPolarHBondContact CB-OH 3.5Å; K397-Y402 VanDerWaalsContact CE-OH 3.23Å; K397-Y402 WeakPolarHBondContact CE-OH 3.49Å; K397-Y402 PolarHBondContact NZ-OH 3.49Å
398	Q	96.7	Very high	96.1	Very high	40 Å²	40	37.3 Å²	37.3	19%	0.187	19%	0.191	C	C	.	.			trans	-74.3	161.8	-178.5	-64.7	-66.7	-10.1	0	0	111.6	E384 P385 I387 Y396 M400 F401 Y402	E384-Q398 VanDerWaalsContact O-CG 3.32Å; E384-Q398 WeakPolarHBondContact O-CG 3.39Å; P385-Q398 WeakPolarHBondContact O-CB 3.42Å; P385-Q398 PolarHBondContact O-N 3.29Å; I387-Q398 HydrophobicContact CG1-CG 4.35Å; Y396-Q398 PolarHBondContact O-N 3.28Å; Q398-M400 HydrophobicContact CB-CB 4.49Å; Q398-M400 HydrophobicContact CB-CE 4.37Å; Q398-M400 PolarHBondContact O-N 3.44Å; Q398-M400 VanDerWaalsContact O-N 3.1Å; Q398-F401 VanDerWaalsContact O-CB 3.29Å; Q398-F401 WeakPolarHBondContact O-CB 3.36Å; Q398-F401 PolarHBondContact O-N 2.85Å; Q398-Y402 VanDerWaalsContact O-CD2 3.27Å; Q398-Y402 WeakPolarHBondContact O-CD2 3.43Å
399	P	96.7	Very high	96.2	Very high	40 Å²	40	36.1 Å²	36.1	26%	0.26	18%	0.184	S	C	.	.	H	α-helix	trans	-48.8	-37.6	168.9	-29.2	36.4	0	0	0	113.2	F401 Y402 H403	P399-F401 VanDerWaalsContact C-N 3.25Å; P399-F401 PolarHBondContact O-N 2.9Å; P399-Y402 PolarHBondContact O-N 3.35Å; P399-Y402 VanDerWaalsContact O-N 3.07Å; P399-H403 PolarHBondContact O-CD2 3.04Å; P399-H403 VanDerWaalsContact O-CD2 3.29Å; P399-H403 PolarHBondContact O-N 2.97Å
400	M	92.6	Very high	96.3	Very high	68 Å²	68	34.9 Å²	34.9	34%	0.335	18%	0.177	S	C	.	.	H	α-helix	trans	-56.1	-35.5	176.7	-63.5	-173.6	-62.4	0	0	113.6	L383 E384 P385 Q398 Y402 H403 L404	L383-M400 HydrophobicContact CB-CE 3.61Å; L383-M400 HydrophobicContact CB-SD 4.29Å; E384-M400 VanDerWaalsContact C-CE 3.42Å; E384-M400 VanDerWaalsContact O-CE 3.28Å; E384-M400 WeakPolarHBondContact O-CE 3.45Å; P385-M400 HydrophobicContact CB-CB 4.3Å; P385-M400 HydrophobicContact CG-CB 4.43Å; Q398-M400 HydrophobicContact CB-CB 4.49Å; Q398-M400 HydrophobicContact CB-CE 4.37Å; Q398-M400 PolarHBondContact O-N 3.44Å; Q398-M400 VanDerWaalsContact O-N 3.1Å; M400-Y402 VanDerWaalsContact C-N 3.34Å; M400-Y402 PolarHBondContact O-N 3.08Å; M400-H403 PolarHBondContact O-N 3.26Å; M400-L404 WeakPolarHBondContact O-CB 3.36Å; M400-L404 WeakPolarHBondContact O-CG 3.46Å; M400-L404 PolarHBondContact O-N 3.26Å
401	F	97.3	Very high	96.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60	-45.6	176.5	173.6	-84.5	0	0	0	111	S146 Y147 I153 P385 I386 K397 Q398 P399 L404 G405	S146-F401 VanDerWaalsContact O-CZ 3.29Å; S146-F401 WeakPolarHBondContact O-CZ 3.46Å; Y147-F401 HydrophobicContact CD1-CD2 4.12Å; Y147-F401 AromaticContact CD1-CE2 3.74Å; Y147-F401 HydrophobicContact CD1-CE2 3.74Å; Y147-F401 AromaticContact CE1-CD2 3.58Å; Y147-F401 HydrophobicContact CE1-CD2 3.58Å; Y147-F401 AromaticContact CE1-CE2 3.69Å; Y147-F401 HydrophobicContact CE1-CE2 3.69Å; Y147-F401 HydrophobicContact CG-CE2 4.38Å; I153-F401 HydrophobicContact CB-CZ 4.28Å; I153-F401 HydrophobicContact CD1-CD2 3.93Å; I153-F401 HydrophobicContact CD1-CE1 4.3Å; I153-F401 HydrophobicContact CD1-CE2 3.6Å; I153-F401 HydrophobicContact CD1-CG 4.42Å; I153-F401 HydrophobicContact CD1-CZ 3.8Å; I153-F401 HydrophobicContact CG1-CE2 3.96Å; I153-F401 HydrophobicContact CG1-CZ 3.83Å; I153-F401 HydrophobicContact CG2-CD1 4.39Å; I153-F401 HydrophobicContact CG2-CE1 3.51Å; I153-F401 HydrophobicContact CG2-CE2 4.45Å; I153-F401 HydrophobicContact CG2-CZ 3.55Å; P385-F401 HydrophobicContact CB-CB 4.02Å; I386-F401 HydrophobicContact CD1-CD2 4.01Å; I386-F401 HydrophobicContact CD1-CE2 4.11Å; I386-F401 HydrophobicContact CG1-CD2 4.01Å; K397-F401 HydrophobicContact CB-CB 4.41Å; K397-F401 HydrophobicContact CB-CD1 4.33Å; K397-F401 HydrophobicContact CB-CG 4.29Å; K397-F401 HydrophobicContact CD-CE1 4.43Å; K397-F401 VanDerWaalsContact CE-CD1 3.43Å; K397-F401 HydrophobicContact CG-CG 4.43Å; Q398-F401 VanDerWaalsContact O-CB 3.29Å; Q398-F401 WeakPolarHBondContact O-CB 3.36Å; Q398-F401 PolarHBondContact O-N 2.85Å; P399-F401 VanDerWaalsContact C-N 3.25Å; P399-F401 PolarHBondContact O-N 2.9Å; F401-L404 PolarHBondContact O-N 3.11Å; F401-G405 PolarHBondContact O-N 3.49Å
402	Y	97.9	Very high	96.5	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-73	-40	-179.5	-57.6	-83.1	0	0	0	111.6	C55 D63 F65 R87 M88 K397 Q398 P399 M400 L404 G405 H406	C55-Y402 WeakPolarHBondContact CB-OH 3.38Å; C55-Y402 VanDerWaalsContact SG-CZ 3.52Å; C55-Y402 PolarHBondContact SG-OH 2.82Å; D63-Y402 PolarHBondContact OD1-OH 3.08Å; D63-Y402 PolarHBondContact OD2-OH 3.19Å; F65-Y402 HydrophobicContact CZ-CD1 4.09Å; F65-Y402 AromaticContact CZ-CE1 3.91Å; F65-Y402 HydrophobicContact CZ-CE1 3.91Å; R87-Y402 HydrophobicContact CB-CD1 4.02Å; R87-Y402 HydrophobicContact CB-CE1 3.91Å; R87-Y402 VanDerWaalsContact CD-CD2 3.46Å; R87-Y402 HydrophobicContact CG-CD1 4.49Å; R87-Y402 HydrophobicContact CG-CE1 4.32Å; R87-Y402 HydrophobicContact CG-CE2 4.45Å; M88-Y402 HydrophobicContact CG-CD1 4.21Å; M88-Y402 HydrophobicContact SD-CD1 4.08Å; K397-Y402 HydrophobicContact CB-CE2 3.93Å; K397-Y402 WeakPolarHBondContact CB-OH 3.5Å; K397-Y402 VanDerWaalsContact CE-OH 3.23Å; K397-Y402 WeakPolarHBondContact CE-OH 3.49Å; K397-Y402 PolarHBondContact NZ-OH 3.49Å; Q398-Y402 VanDerWaalsContact O-CD2 3.27Å; Q398-Y402 WeakPolarHBondContact O-CD2 3.43Å; P399-Y402 PolarHBondContact O-N 3.35Å; P399-Y402 VanDerWaalsContact O-N 3.07Å; M400-Y402 VanDerWaalsContact C-N 3.34Å; M400-Y402 PolarHBondContact O-N 3.08Å; Y402-L404 VanDerWaalsContact C-N 3.29Å; Y402-L404 PolarHBondContact O-N 3.28Å; Y402-G405 CarbonylContact O-C 3.47Å; Y402-G405 WeakPolarHBondContact O-CA 3.49Å; Y402-G405 PolarHBondContact O-N 3.39Å; Y402-H406 PolarHBondContact O-CD2 2.95Å; Y402-H406 PolarHBondContact O-N 2.96Å
403	H	96.9	Very high	96.6	Very high	74 Å²	74	25 Å²	25	34%	0.343	13%	0.126	S	C	.	.	H	α-helix	trans	-57.4	-42.5	173	-85	-93.1	0	0	0	111.8	P399 M400 F407	P399-H403 PolarHBondContact O-CD2 3.04Å; P399-H403 VanDerWaalsContact O-CD2 3.29Å; P399-H403 PolarHBondContact O-N 2.97Å; M400-H403 PolarHBondContact O-N 3.26Å; H403-F407 VanDerWaalsContact O-CD2 3.24Å; H403-F407 WeakPolarHBondContact O-CD2 3.49Å
404	L	94.5	Very high	96.8	Very high	55 Å²	55	21.9 Å²	21.9	29%	0.288	12%	0.119	S	C	.	.	H	α-helix	trans	-66.5	-40	172.6	-74.2	166.3	0	0	0	111.5	Y155 P385 M400 F401 Y402 H406 F407 S408	Y155-L404 WeakPolarHBondContact OH-CD1 3.36Å; P385-L404 HydrophobicContact CG-CD1 3.9Å; M400-L404 WeakPolarHBondContact O-CB 3.36Å; M400-L404 WeakPolarHBondContact O-CG 3.46Å; M400-L404 PolarHBondContact O-N 3.26Å; F401-L404 PolarHBondContact O-N 3.11Å; Y402-L404 VanDerWaalsContact C-N 3.29Å; Y402-L404 PolarHBondContact O-N 3.28Å; L404-H406 VanDerWaalsContact C-N 3.29Å; L404-H406 PolarHBondContact O-N 2.77Å; L404-F407 PolarHBondContact O-N 3.01Å; L404-S408 PolarHBondContact O-N 2.84Å; L404-S408 PolarHBondContact O-OG 3.28Å
405	G	97	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.2	-34	176.9	0	0	0	0	0	114.7	F401 Y402 F407 K409	F401-G405 PolarHBondContact O-N 3.49Å; Y402-G405 CarbonylContact O-C 3.47Å; Y402-G405 WeakPolarHBondContact O-CA 3.49Å; Y402-G405 PolarHBondContact O-N 3.39Å; G405-F407 PolarHBondContact O-N 2.6Å; G405-F407 VanDerWaalsContact O-N 3.11Å; G405-K409 WeakPolarHBondContact O-CB 3.13Å; G405-K409 PolarHBondContact O-N 2.94Å
406	H	98	Very high	96.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.9	-16.8	173.1	-85.6	-83.9	0	0	0	113.9	Y79 S81 Y402 L404 V443 I473 T475	Y79-H406 PolarHBondContact O-CE1 3Å; S81-H406 WeakPolarHBondContact CB-NE2 3.22Å; S81-H406 PolarHBondContact OG-NE2 3.34Å; Y402-H406 PolarHBondContact O-CD2 2.95Å; Y402-H406 PolarHBondContact O-N 2.96Å; L404-H406 VanDerWaalsContact C-N 3.29Å; L404-H406 PolarHBondContact O-N 2.77Å; H406-V443 WeakPolarHBondContact O-CG2 3.5Å; H406-I473 HydrophobicContact CB-CD1 3.65Å; H406-I473 HydrophobicContact CB-CG1 4.07Å; H406-I473 PolarHBondContact CE1-O 2.94Å; H406-I473 PolarHBondContact NE2-O 3.11Å; H406-T475 WeakPolarHBondContact CB-OG1 3.38Å; H406-T475 PolarHBondContact ND1-OG1 2.96Å; H406-T475 PolarHBondContact O-OG1 2.95Å
407	F	97.6	Very high	96.7	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.018	13%	0.133	C	C	.	.	H	α-helix	trans	-105.8	-57.9	171.2	-60.1	-90.8	0	0	0	111.1	F120 A355 L358 L359 H403 L404 G405 K409 F410 I411 V431 V443 I473	F120-F407 HydrophobicContact CD1-CB 4.21Å; F120-F407 HydrophobicContact CE1-CB 3.75Å; F120-F407 HydrophobicContact CE1-CG 4.48Å; F120-F407 HydrophobicContact CE2-CB 4.38Å; F120-F407 HydrophobicContact CZ-CB 3.84Å; A355-F407 HydrophobicContact CB-CD2 4.09Å; A355-F407 HydrophobicContact CB-CE2 3.83Å; A355-F407 HydrophobicContact CB-CZ 4.16Å; L358-F407 HydrophobicContact CB-CE1 4.33Å; L358-F407 HydrophobicContact CD1-CD1 3.83Å; L358-F407 HydrophobicContact CD1-CE1 4.28Å; L359-F407 HydrophobicContact CD1-CZ 3.85Å; L359-F407 HydrophobicContact CD2-CE1 4.4Å; L359-F407 HydrophobicContact CD2-CZ 4.16Å; L359-F407 HydrophobicContact CG-CE1 4.27Å; L359-F407 HydrophobicContact CG-CZ 3.9Å; H403-F407 VanDerWaalsContact O-CD2 3.24Å; H403-F407 WeakPolarHBondContact O-CD2 3.49Å; L404-F407 PolarHBondContact O-N 3.01Å; G405-F407 PolarHBondContact O-N 2.6Å; G405-F407 VanDerWaalsContact O-N 3.11Å; F407-K409 VanDerWaalsContact C-N 3.33Å; F407-K409 PolarHBondContact O-N 2.89Å; F407-F410 PolarHBondContact O-N 3.41Å; F407-I411 HydrophobicContact CB-CD1 4.09Å; F407-I411 HydrophobicContact CD1-CD1 3.79Å; F407-I411 HydrophobicContact CG-CD1 4.4Å; F407-I411 VanDerWaalsContact O-CB 3.28Å; F407-I411 WeakPolarHBondContact O-CB 3.34Å; F407-I411 WeakPolarHBondContact O-CG1 3.15Å; F407-I411 PolarHBondContact O-N 3.48Å; F407-V431 HydrophobicContact CE1-CG1 4.09Å; F407-V443 HydrophobicContact CD1-CG2 4.16Å; F407-V443 HydrophobicContact CE1-CB 4.01Å; F407-V443 HydrophobicContact CE1-CG1 3.91Å; F407-V443 HydrophobicContact CE1-CG2 4.08Å; F407-V443 HydrophobicContact CE2-CG1 4.19Å; F407-V443 HydrophobicContact CZ-CB 4.28Å; F407-V443 HydrophobicContact CZ-CG1 3.67Å; F407-I473 HydrophobicContact CE2-CD1 4.05Å
408	S	96.6	Very high	96.6	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.014	14%	0.135	C	C	.	.	H	α-helix	trans	-62.3	-38.3	-170.7	67.3	0	0	0	0	113	I153 R209 L404 F410	I153-S408 CarbonylContact O-C 3.41Å; I153-S408 VanDerWaalsContact O-CB 3.32Å; I153-S408 WeakPolarHBondContact O-CB 3.48Å; I153-S408 PolarHBondContact O-OG 3.21Å; R209-S408 PolarHBondContact NH1-O 3Å; L404-S408 PolarHBondContact O-N 2.84Å; L404-S408 PolarHBondContact O-OG 3.28Å; S408-F410 VanDerWaalsContact C-N 3.34Å; S408-F410 PolarHBondContact O-N 2.97Å
409	K	97.2	Very high	96.6	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-36.6	-179.2	-169.1	178.9	173	67.5	0	111.5	F65 D66 P68 M88 E150 G152 I153 R209 G405 F407	F65-K409 HydrophobicContact CD2-CD 4.38Å; D66-K409 WeakPolarHBondContact O-CE 3.36Å; D66-K409 PolarHBondContact O-NZ 3.23Å; D66-K409 VanDerWaalsContact O-NZ 3.16Å; P68-K409 HydrophobicContact CG-CG 4.25Å; M88-K409 HydrophobicContact CE-CB 4.22Å; M88-K409 HydrophobicContact CE-CD 3.56Å; E150-K409 PolarHBondContact O-NZ 3.42Å; G152-K409 WeakPolarHBondContact O-CD 3.17Å; G152-K409 PolarHBondContact O-NZ 2.97Å; I153-K409 VanDerWaalsContact O-CA 3.32Å; I153-K409 WeakPolarHBondContact O-CA 3.39Å; I153-K409 PolarHBondContact O-N 3.46Å; R209-K409 PolarHBondContact NH1-O 3.05Å; R209-K409 PolarHBondContact NH2-O 3.39Å; G405-K409 WeakPolarHBondContact O-CB 3.13Å; G405-K409 PolarHBondContact O-N 2.94Å; F407-K409 VanDerWaalsContact C-N 3.33Å; F407-K409 PolarHBondContact O-N 2.89Å
410	F	97.4	Very high	96.7	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-8.8	-167.1	-55.9	-60.2	0	0	0	114.4	P68 Y79 M88 F407 S408 P412 H435 V441 T475 L477	P68-F410 HydrophobicContact CB-CD1 4.22Å; P68-F410 HydrophobicContact CB-CE1 4.36Å; P68-F410 HydrophobicContact CG-CD1 4.25Å; P68-F410 HydrophobicContact CG-CE1 4.38Å; Y79-F410 HydrophobicContact CD1-CE1 4.22Å; Y79-F410 HydrophobicContact CD1-CE2 4.47Å; Y79-F410 AromaticContact CD1-CZ 3.55Å; Y79-F410 HydrophobicContact CD1-CZ 3.55Å; Y79-F410 HydrophobicContact CD2-CD1 4.47Å; Y79-F410 AromaticContact CD2-CE1 3.58Å; Y79-F410 HydrophobicContact CD2-CE1 3.58Å; Y79-F410 HydrophobicContact CD2-CE2 4.09Å; Y79-F410 AromaticContact CD2-CZ 3.35Å; Y79-F410 HydrophobicContact CD2-CZ 3.35Å; Y79-F410 HydrophobicContact CE1-CE1 4.05Å; Y79-F410 AromaticContact CE1-CZ 3.81Å; Y79-F410 HydrophobicContact CE1-CZ 3.81Å; Y79-F410 HydrophobicContact CE2-CD1 4.32Å; Y79-F410 AromaticContact CE2-CE1 3.39Å; Y79-F410 HydrophobicContact CE2-CE1 3.39Å; Y79-F410 AromaticContact CE2-CZ 3.63Å; Y79-F410 HydrophobicContact CE2-CZ 3.63Å; Y79-F410 AromaticContact CG-CE1 3.99Å; Y79-F410 HydrophobicContact CG-CE1 3.99Å; Y79-F410 AromaticContact CG-CE2 3.95Å; Y79-F410 HydrophobicContact CG-CE2 3.95Å; Y79-F410 AromaticContact CG-CZ 3.29Å; Y79-F410 HydrophobicContact CG-CZ 3.29Å; Y79-F410 AromaticContact CZ-CE1 3.63Å; Y79-F410 AromaticContact CZ-CZ 3.84Å; M88-F410 HydrophobicContact CE-CE2 3.54Å; M88-F410 HydrophobicContact CE-CZ 3.69Å; F407-F410 PolarHBondContact O-N 3.41Å; S408-F410 VanDerWaalsContact C-N 3.34Å; S408-F410 PolarHBondContact O-N 2.97Å; F410-P412 WeakPolarHBondContact O-CD 3.47Å; F410-H435 PolarHBondContact O-CE1 3.39Å; F410-H435 PolarHBondContact O-NE2 3.38Å; F410-V441 HydrophobicContact CB-CG2 4.11Å; F410-T475 HydrophobicContact CB-CG2 3.78Å; F410-T475 HydrophobicContact CD2-CG2 3.48Å; F410-T475 VanDerWaalsContact CD2-CG2 3.48Å; F410-T475 HydrophobicContact CE2-CG2 4.19Å; F410-T475 HydrophobicContact CG-CG2 3.74Å; F410-L477 HydrophobicContact CD1-CD1 3.74Å; F410-L477 HydrophobicContact CE1-CD1 4.21Å; F410-L477 HydrophobicContact CG-CD1 4.48Å
411	I	97	Very high	96.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.129	C	C	.	.			trans	-118.7	88.6	-179.7	-57.4	169.8	0	0	0	108.1	V117 F120 F407 L433 V441 V443	V117-I411 HydrophobicContact CB-CG2 4.2Å; V117-I411 HydrophobicContact CG1-CG2 4.04Å; V117-I411 HydrophobicContact CG2-CG2 4.03Å; F120-I411 HydrophobicContact CE2-CB 3.85Å; F120-I411 HydrophobicContact CE2-CG2 3.95Å; F120-I411 HydrophobicContact CZ-CB 4.38Å; F120-I411 HydrophobicContact CZ-CD1 4.27Å; F120-I411 HydrophobicContact CZ-CG2 4.38Å; F407-I411 HydrophobicContact CB-CD1 4.09Å; F407-I411 HydrophobicContact CD1-CD1 3.79Å; F407-I411 HydrophobicContact CG-CD1 4.4Å; F407-I411 VanDerWaalsContact O-CB 3.28Å; F407-I411 WeakPolarHBondContact O-CB 3.34Å; F407-I411 WeakPolarHBondContact O-CG1 3.15Å; F407-I411 PolarHBondContact O-N 3.48Å; I411-L433 HydrophobicContact CD1-CD1 3.72Å; I411-L433 HydrophobicContact CD1-CD2 4.24Å; I411-L433 HydrophobicContact CG1-CD1 4.33Å; I411-L433 HydrophobicContact CG2-CD2 3.74Å; I411-V441 HydrophobicContact CG1-CG1 4.04Å; I411-V441 HydrophobicContact CG1-CG2 4.45Å; I411-V443 HydrophobicContact CD1-CG2 4.5Å
412	P	96.3	Very high	96.9	Very high	36 Å²	36	26.1 Å²	26.1	23%	0.234	15%	0.145	C	C	.	.			trans	-68.7	161.8	177.9	29.1	-35.3	0	0	0	111.9	F410 G414 S415	F410-P412 WeakPolarHBondContact O-CD 3.47Å; P412-G414 PolarHBondContact O-N 2.88Å; P412-S415 VanDerWaalsContact CD-OG 3.31Å; P412-S415 WeakPolarHBondContact CD-OG 3.44Å; P412-S415 VanDerWaalsContact O-CB 3.29Å; P412-S415 WeakPolarHBondContact O-CB 3.23Å; P412-S415 PolarHBondContact O-N 3.41Å; P412-S415 PolarHBondContact O-OG 3.46Å
413	E	95.6	Very high	96.7	Very high	77 Å²	77	29.5 Å²	29.5	36%	0.36	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	139	171.9	-179.8	168.7	-178	0	0	111.3	K118 S415	K118-E413 WeakPolarHBondContact CD-OE1 3.47Å; K118-E413 IonicContact NZ-OE1 3.88Å; K118-E413 PolarHBondContact NZ-OE1 3.41Å; K118-E413 IonicContact NZ-OE2 2.72Å; K118-E413 PolarHBondContact NZ-OE2 3.18Å; K118-E413 WeakPolarHBondContact O-CB 3.38Å; K118-E413 WeakPolarHBondContact O-CG 3.46Å; E413-S415 VanDerWaalsContact C-N 3.29Å; E413-S415 PolarHBondContact O-N 2.82Å
414	G	95.4	Very high	96.5	Very high	27 Å²	27	30.8 Å²	30.8	28%	0.278	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-10.8	-178.9	0	0	0	0	0	114.4	V117 P412 Q416	V117-G414 PolarHBondContact O-N 2.86Å; P412-G414 PolarHBondContact O-N 2.88Å; G414-Q416 PolarHBondContact O-N 3.2Å
415	S	97.1	Very high	96.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.			trans	-55.1	139.4	171.2	-59.2	0	0	0	0	110.7	K116 V117 P412 E413 M434	K116-S415 CarbonylContact C-O 3.45Å; K116-S415 WeakPolarHBondContact CA-O 3.2Å; V117-S415 PolarHBondContact N-O 3.42Å; P412-S415 VanDerWaalsContact CD-OG 3.31Å; P412-S415 WeakPolarHBondContact CD-OG 3.44Å; P412-S415 VanDerWaalsContact O-CB 3.29Å; P412-S415 WeakPolarHBondContact O-CB 3.23Å; P412-S415 PolarHBondContact O-N 3.41Å; P412-S415 PolarHBondContact O-OG 3.46Å; E413-S415 VanDerWaalsContact C-N 3.29Å; E413-S415 PolarHBondContact O-N 2.82Å; S415-M434 CarbonylContact C-O 3.55Å; S415-M434 VanDerWaalsContact CA-O 3.23Å; S415-M434 WeakPolarHBondContact CA-O 3.35Å
416	Q	97.2	Very high	95.9	Very high	46 Å²	46	40.4 Å²	40.4	22%	0.215	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.9	-176.4	-174.6	161.6	38	0	0	110.6	K113 F114 K116 G414 V418 L433 M434	K113-Q416 HydrophobicContact CB-CG 4.44Å; F114-Q416 PolarHBondContact O-NE2 3.17Å; K116-Q416 HydrophobicContact CG-CB 4.36Å; K116-Q416 HydrophobicContact CG-CG 4.43Å; G414-Q416 PolarHBondContact O-N 3.2Å; Q416-V418 PolarHBondContact O-N 2.98Å; Q416-L433 CarbonylContact O-C 3.57Å; Q416-L433 VanDerWaalsContact O-CA 3.29Å; Q416-L433 WeakPolarHBondContact O-CA 3.29Å; Q416-M434 PolarHBondContact N-O 3.49Å; Q416-M434 PolarHBondContact O-N 3.37Å
417	R	97.3	Very high	95.4	Very high	65 Å²	65	45.3 Å²	45.3	25%	0.245	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	135.8	173	-172.9	-169.1	84.2	162.8	6.1	109.5	F114 Q115 V431 A432 L433	F114-R417 HydrophobicContact CB-CB 4.18Å; F114-R417 HydrophobicContact CD2-CG 4.25Å; F114-R417 VanDerWaalsContact CD2-NE 3.28Å; F114-R417 VanDerWaalsContact CE1-NH2 3.27Å; F114-R417 PolarHBondContact N-O 3.44Å; Q115-R417 PolarHBondContact O-N 3.36Å; R417-V431 HydrophobicContact CG-CG2 4.19Å; R417-A432 WeakPolarHBondContact CG-O 3.25Å; R417-L433 HydrophobicContact CB-CD2 4.46Å; R417-L433 HydrophobicContact CB-CG 4.38Å
418	V	97.3	Very high	95.1	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.03	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	169.7	175.9	-66.2	0	0	0	0	111.6	L108 Q112 K113 Q416 A432 M434	L108-V418 HydrophobicContact CD1-CG2 3.62Å; L108-V418 HydrophobicContact CG-CG2 4.43Å; Q112-V418 CarbonylContact O-C 3.54Å; Q112-V418 WeakPolarHBondContact O-CA 3.25Å; K113-V418 HydrophobicContact CG-CG1 4.48Å; Q416-V418 PolarHBondContact O-N 2.98Å; V418-A432 HydrophobicContact CG2-CB 4.06Å; V418-A432 PolarHBondContact N-O 2.81Å; V418-A432 VanDerWaalsContact N-O 3.07Å; V418-M434 HydrophobicContact CB-CG 4.33Å; V418-M434 HydrophobicContact CG1-CB 4.33Å; V418-M434 HydrophobicContact CG1-CG 3.51Å; V418-M434 HydrophobicContact CG2-CG 3.87Å; V418-M434 HydrophobicContact CG2-SD 4.39Å
419	G	96.6	Very high	95	Very high	4 Å²	4	46.4 Å²	46.4	4%	0.041	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	142	179.3	0	0	0	0	0	112	Q109 Q112	Q109-G419 PolarHBondContact N-O 3.17Å; Q109-G419 PolarHBondContact O-N 2.97Å; Q112-G419 PolarHBondContact O-N 2.79Å
420	L	97.6	Very high	94.9	Very high	40 Å²	40	47.7 Å²	47.7	21%	0.209	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	112.2	171.8	-173.5	68	0	0	0	107.8	L106 T107 L108 A430 A432 V442	L106-L420 HydrophobicContact CB-CD1 3.95Å; L106-L420 HydrophobicContact CB-CG 4.26Å; L106-L420 HydrophobicContact CD1-CD2 4.4Å; T107-L420 WeakPolarHBondContact O-CA 3.34Å; L108-L420 HydrophobicContact CD1-CD1 4.4Å; L420-A430 HydrophobicContact CD2-CB 3.75Å; L420-A432 HydrophobicContact CB-CB 3.93Å; L420-A432 HydrophobicContact CD1-CB 4.19Å; L420-A432 HydrophobicContact CD2-CB 4.17Å; L420-A432 HydrophobicContact CG-CB 4.32Å; L420-V442 HydrophobicContact CD2-CG1 4.18Å
421	V	96.9	Very high	94.9	Very high	69 Å²	69	47.9 Å²	47.9	42%	0.418	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.7	-173.3	178.9	0	0	0	0	110.1	L106 T107	L106-V421 CarbonylContact C-O 3.55Å; L106-V421 WeakPolarHBondContact CA-O 3.2Å; T107-V421 PolarHBondContact N-O 3.22Å; T107-V421 PolarHBondContact O-N 3.17Å
422	A	96.6	Very high	95	Very high	40 Å²	40	47.9 Å²	47.9	33%	0.331	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	137.2	172.7	0	0	0	0	0	111.2	L104 L105 L106 Q424 N426	L104-A422 HydrophobicContact CD1-CB 4.09Å; L105-A422 CarbonylContact O-C 3.56Å; L105-A422 WeakPolarHBondContact O-CA 3.34Å; L106-A422 HydrophobicContact CD2-CB 3.76Å; A422-Q424 PolarHBondContact O-N 2.97Å; A422-N426 VanDerWaalsContact CB-ND2 3.29Å; A422-N426 WeakPolarHBondContact CB-ND2 3.41Å
423	S	94.9	Very high	95.1	Very high	71 Å²	71	46.1 Å²	46.1	50%	0.497	25%	0.25	S	S	.	.	S	Bend	trans	-66	-23.8	176.1	57.2	0	0	0	0	113.8	L105	L105-S423 PolarHBondContact N-OG 2.91Å; L105-S423 PolarHBondContact O-N 3.23Å
424	Q	91.8	Very high	95.2	Very high	102 Å²	102	43.5 Å²	43.5	48%	0.477	24%	0.238	S	C	.	.	S	Bend	trans	-152.6	163.5	-175.6	61.4	-168.7	62.9	0	0	111.3	L104 A422 N426	L104-Q424 HydrophobicContact CD1-CG 3.84Å; A422-Q424 PolarHBondContact O-N 2.97Å; Q424-N426 PolarHBondContact O-N 3.19Å; Q424-N426 PolarHBondContact O-ND2 3.01Å
425	K	90	Very high	95.3	Very high	203 Å²	203	43.2 Å²	43.2	88%	0.883	23%	0.229	S	C	*	.			trans	-58.3	136.5	170.5	-173.2	179.1	178.9	-176.6	0	109.6
426	N	90.5	Very high	95.3	Very high	53 Å²	53	47.6 Å²	47.6	28%	0.283	26%	0.258	S	S	.	.			trans	-153.3	166.3	-175.3	65	93.1	0	0	0	110.8	L104 A422 Q424 P428	L104-N426 HydrophobicContact CD1-CB 3.85Å; L104-N426 HydrophobicContact CD2-CB 3.64Å; L104-N426 HydrophobicContact CG-CB 4.35Å; A422-N426 VanDerWaalsContact CB-ND2 3.29Å; A422-N426 WeakPolarHBondContact CB-ND2 3.41Å; Q424-N426 PolarHBondContact O-N 3.19Å; Q424-N426 PolarHBondContact O-ND2 3.01Å; N426-P428 WeakPolarHBondContact OD1-CD 3.5Å; N426-P428 PolarHBondContact OD1-O 3Å
427	D	87.6	Confident	95.2	Very high	103 Å²	103	50.2 Å²	50.2	55%	0.551	27%	0.273	S	S	*	.	S	Bend	trans	-92.1	-32.5	-179.7	-62.9	-24.7	0	0	0	114.4	D429	D427-D429 PolarHBondContact O-N 3.18Å
428	P	91.1	Very high	95.1	Very high	9 Å²	9	48.6 Å²	48.6	6%	0.058	28%	0.277	C	S	.	.			trans	-63.2	135.9	178.3	-24.6	35.2	0	0	0	113.1	N426 V444 L445 N446 V452	N426-P428 WeakPolarHBondContact OD1-CD 3.5Å; N426-P428 PolarHBondContact OD1-O 3Å; P428-V444 HydrophobicContact CB-CG1 3.97Å; P428-L445 CarbonylContact C-O 3.57Å; P428-L445 WeakPolarHBondContact CA-O 3.48Å; P428-N446 HydrophobicContact CG-CB 4.5Å; P428-V452 HydrophobicContact CG-CB 4.16Å; P428-V452 HydrophobicContact CG-CG1 4.13Å; P428-V452 HydrophobicContact CG-CG2 4.04Å
429	D	93.6	Very high	95	Very high	21 Å²	21	49 Å²	49	11%	0.112	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	134.6	168.1	-50.7	-85.3	0	0	0	109	L359 S361 D427 V444 L445 R447	L359-D429 HydrophobicContact CB-CB 3.92Å; L359-D429 HydrophobicContact CD1-CB 4.37Å; L359-D429 HydrophobicContact CD2-CB 4.29Å; L359-D429 HydrophobicContact CG-CB 4.43Å; S361-D429 PolarHBondContact OG-OD1 3.07Å; S361-D429 PolarHBondContact OG-OD2 3Å; D427-D429 PolarHBondContact O-N 3.18Å; D429-V444 CarbonylContact O-C 3.44Å; D429-V444 WeakPolarHBondContact O-CA 3.32Å; D429-L445 PolarHBondContact N-O 2.85Å; D429-L445 PolarHBondContact O-N 3Å; D429-R447 VanDerWaalsContact CG-NH2 3.34Å; D429-R447 IonicContact OD1-NH2 3.14Å; D429-R447 PolarHBondContact OD1-NH2 3.43Å; D429-R447 IonicContact OD2-CZ 3.28Å; D429-R447 IonicContact OD2-NE 3.86Å; D429-R447 PolarHBondContact OD2-NE 3.4Å; D429-R447 IonicContact OD2-NH2 3.06Å; D429-R447 PolarHBondContact OD2-NH2 2.88Å
430	A	95.9	Very high	95	Very high	27 Å²	27	48.8 Å²	48.8	22%	0.223	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	148.9	-177.2	0	0	0	0	0	112.6	L106 L420 V443 V444	L106-A430 HydrophobicContact CD1-CB 3.94Å; L420-A430 HydrophobicContact CD2-CB 3.75Å; A430-V443 VanDerWaalsContact CA-O 3.27Å; A430-V443 WeakPolarHBondContact CA-O 3.45Å; A430-V444 HydrophobicContact CB-CG2 4.18Å
431	V	97.3	Very high	95.1	Very high	6 Å²	6	46.9 Å²	46.9	4%	0.036	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	142.3	175.3	65.2	0	0	0	0	110.7	L358 L359 F407 R417 L433 V442 V443	L358-V431 HydrophobicContact CB-CG1 4.23Å; L358-V431 HydrophobicContact CB-CG2 4.24Å; L358-V431 VanDerWaalsContact O-CB 3.26Å; L358-V431 WeakPolarHBondContact O-CB 3.48Å; L358-V431 WeakPolarHBondContact O-CG2 3.22Å; L359-V431 HydrophobicContact CD2-CB 4.3Å; L359-V431 HydrophobicContact CD2-CG1 3.87Å; F407-V431 HydrophobicContact CE1-CG1 4.09Å; R417-V431 HydrophobicContact CG-CG2 4.19Å; V431-L433 HydrophobicContact CG1-CD1 4.1Å; V431-L433 HydrophobicContact CG2-CD1 3.92Å; V431-V442 WeakPolarHBondContact O-CA 3.39Å; V431-V443 HydrophobicContact CG1-CB 4.04Å; V431-V443 PolarHBondContact N-O 3.39Å; V431-V443 PolarHBondContact O-N 2.98Å
432	A	97.8	Very high	95.1	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141.4	174.1	0	0	0	0	0	112.2	L108 R417 V418 L420 V441 V442	L108-A432 HydrophobicContact CD1-CB 3.24Å; R417-A432 WeakPolarHBondContact CG-O 3.25Å; V418-A432 HydrophobicContact CG2-CB 4.06Å; V418-A432 PolarHBondContact N-O 2.81Å; V418-A432 VanDerWaalsContact N-O 3.07Å; L420-A432 HydrophobicContact CB-CB 3.93Å; L420-A432 HydrophobicContact CD1-CB 4.19Å; L420-A432 HydrophobicContact CD2-CB 4.17Å; L420-A432 HydrophobicContact CG-CB 4.32Å; A432-V441 WeakPolarHBondContact CA-O 3.25Å; A432-V442 HydrophobicContact CB-CG2 3.81Å
433	L	98.4	Very high	95.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	156.1	175.5	-53.2	89.6	0	0	0	110	V117 L358 I411 Q416 R417 V431 P440 V441	V117-L433 HydrophobicContact CG2-CD2 3.56Å; L358-L433 HydrophobicContact CD2-CD2 4.48Å; I411-L433 HydrophobicContact CD1-CD1 3.72Å; I411-L433 HydrophobicContact CD1-CD2 4.24Å; I411-L433 HydrophobicContact CG1-CD1 4.33Å; I411-L433 HydrophobicContact CG2-CD2 3.74Å; Q416-L433 CarbonylContact O-C 3.57Å; Q416-L433 VanDerWaalsContact O-CA 3.29Å; Q416-L433 WeakPolarHBondContact O-CA 3.29Å; R417-L433 HydrophobicContact CB-CD2 4.46Å; R417-L433 HydrophobicContact CB-CG 4.38Å; V431-L433 HydrophobicContact CG1-CD1 4.1Å; V431-L433 HydrophobicContact CG2-CD1 3.92Å; L433-P440 WeakPolarHBondContact O-CA 3.4Å; L433-V441 HydrophobicContact CB-CG1 3.73Å; L433-V441 HydrophobicContact CD1-CG1 4.27Å; L433-V441 PolarHBondContact N-O 3.16Å; L433-V441 PolarHBondContact O-N 3.42Å
434	M	98	Very high	95.4	Very high	22 Å²	22	38.3 Å²	38.3	11%	0.108	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.4	171.2	-63.5	-58.3	-56.2	0	0	108.8	L108 S415 Q416 V418 G438 P440	L108-M434 HydrophobicContact CD2-SD 4.35Å; S415-M434 CarbonylContact C-O 3.55Å; S415-M434 VanDerWaalsContact CA-O 3.23Å; S415-M434 WeakPolarHBondContact CA-O 3.35Å; Q416-M434 PolarHBondContact N-O 3.49Å; Q416-M434 PolarHBondContact O-N 3.37Å; V418-M434 HydrophobicContact CB-CG 4.33Å; V418-M434 HydrophobicContact CG1-CB 4.33Å; V418-M434 HydrophobicContact CG1-CG 3.51Å; V418-M434 HydrophobicContact CG2-CG 3.87Å; V418-M434 HydrophobicContact CG2-SD 4.39Å; M434-G438 VanDerWaalsContact CE-C 3.46Å; M434-G438 WeakPolarHBondContact CE-O 3.35Å; M434-P440 HydrophobicContact CE-CB 4.33Å; M434-P440 HydrophobicContact SD-CB 3.78Å
435	H	97.5	Very high	95.7	Very high	20 Å²	20	34.6 Å²	34.6	9%	0.093	19%	0.192	C	C	.	.			trans	-69.2	162.2	171.9	-72.2	-163.3	0	0	0	110.9	F70 F410 D437 G438 S439 V441	F70-H435 AromaticContact CZ-CE1 3.6Å; F70-H435 AromaticContact CZ-ND1 3.46Å; F70-H435 WeakPolarHBondContact CZ-ND1 3.32Å; F410-H435 PolarHBondContact O-CE1 3.39Å; F410-H435 PolarHBondContact O-NE2 3.38Å; H435-D437 WeakPolarHBondContact CB-OD1 3.48Å; H435-D437 PolarHBondContact O-N 3.32Å; H435-G438 PolarHBondContact O-N 3.36Å; H435-S439 VanDerWaalsContact CB-O 3.29Å; H435-S439 WeakPolarHBondContact CB-O 3.49Å; H435-S439 PolarHBondContact N-O 3.14Å; H435-V441 WeakPolarHBondContact NE2-CG1 3.48Å
436	P	96.8	Very high	96	Very high	92 Å²	92	25 Å²	25	60%	0.597	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.3	175.2	-26.6	35.9	0	0	0	114.5	G438	P436-G438 VanDerWaalsContact C-N 3.28Å
437	D	95	Very high	96.2	Very high	101 Å²	101	28.1 Å²	28.1	54%	0.54	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.5	177.6	70.2	-10	0	0	0	113.8	H435 S439	H435-D437 WeakPolarHBondContact CB-OD1 3.48Å; H435-D437 PolarHBondContact O-N 3.32Å; D437-S439 VanDerWaalsContact OD1-CB 3.26Å; D437-S439 WeakPolarHBondContact OD1-CB 3.32Å; D437-S439 PolarHBondContact OD1-N 3.25Å; D437-S439 PolarHBondContact OD1-OG 2.76Å; D437-S439 PolarHBondContact OD2-OG 3.33Å; D437-S439 VanDerWaalsContact OD2-OG 3.13Å
438	G	95.3	Very high	96.5	Very high	31 Å²	31	24.4 Å²	24.4	32%	0.32	14%	0.14	S	C	.	.	S	Bend	trans	86.8	6.6	-177.6	0	0	0	0	0	114.8	M434 H435 P436	M434-G438 VanDerWaalsContact CE-C 3.46Å; M434-G438 WeakPolarHBondContact CE-O 3.35Å; H435-G438 PolarHBondContact O-N 3.36Å; P436-G438 VanDerWaalsContact C-N 3.28Å
439	S	95.8	Very high	96.8	Very high	13 Å²	13	27.7 Å²	27.7	9%	0.091	16%	0.164	C	C	.	.			trans	-82.3	135.6	173.5	-55.1	0	0	0	0	111.6	H435 D437	H435-S439 VanDerWaalsContact CB-O 3.29Å; H435-S439 WeakPolarHBondContact CB-O 3.49Å; H435-S439 PolarHBondContact N-O 3.14Å; D437-S439 VanDerWaalsContact OD1-CB 3.26Å; D437-S439 WeakPolarHBondContact OD1-CB 3.32Å; D437-S439 PolarHBondContact OD1-N 3.25Å; D437-S439 PolarHBondContact OD1-OG 2.76Å; D437-S439 PolarHBondContact OD2-OG 3.33Å; D437-S439 VanDerWaalsContact OD2-OG 3.13Å
440	P	97.3	Very high	96.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	150.9	178.9	27.7	-34.5	0	0	0	113.3	L108 L433 M434 W478 R480	L108-P440 HydrophobicContact CD2-CB 4.09Å; L433-P440 WeakPolarHBondContact O-CA 3.4Å; M434-P440 HydrophobicContact CE-CB 4.33Å; M434-P440 HydrophobicContact SD-CB 3.78Å; P440-W478 HydrophobicContact CB-CD2 4.32Å; P440-W478 HydrophobicContact CB-CH2 3.88Å; P440-W478 HydrophobicContact CB-CZ2 3.57Å; P440-W478 HydrophobicContact CB-CZ3 4.37Å; P440-W478 VanDerWaalsContact CD-O 3.27Å; P440-W478 WeakPolarHBondContact CD-O 3.22Å; P440-W478 HydrophobicContact CG-CD2 3.5Å; P440-W478 HydrophobicContact CG-CE3 4.15Å; P440-W478 HydrophobicContact CG-CG 3.85Å; P440-W478 HydrophobicContact CG-CH2 4.08Å; P440-W478 HydrophobicContact CG-CZ2 3.41Å; P440-W478 VanDerWaalsContact CG-CZ2 3.41Å; P440-W478 HydrophobicContact CG-CZ3 4.41Å; P440-R480 VanDerWaalsContact CD-CG 3.46Å; P440-R480 HydrophobicContact CG-CG 3.75Å
441	V	98.1	Very high	97	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133.8	168.6	59.4	0	0	0	0	109.8	F410 I411 A432 L433 H435 T475 Y476 L477	F410-V441 HydrophobicContact CB-CG2 4.11Å; I411-V441 HydrophobicContact CG1-CG1 4.04Å; I411-V441 HydrophobicContact CG1-CG2 4.45Å; A432-V441 WeakPolarHBondContact CA-O 3.25Å; L433-V441 HydrophobicContact CB-CG1 3.73Å; L433-V441 HydrophobicContact CD1-CG1 4.27Å; L433-V441 PolarHBondContact N-O 3.16Å; L433-V441 PolarHBondContact O-N 3.42Å; H435-V441 WeakPolarHBondContact NE2-CG1 3.48Å; V441-T475 HydrophobicContact CG2-CG2 3.52Å; V441-Y476 WeakPolarHBondContact CA-O 3.46Å; V441-L477 HydrophobicContact CB-CD2 3.55Å; V441-L477 HydrophobicContact CG2-CD2 3.54Å
442	V	98.4	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.2	174.2	177	0	0	0	0	109.7	L420 V431 A432 V444 I456 T475 Y476 W478	L420-V442 HydrophobicContact CD2-CG1 4.18Å; V431-V442 WeakPolarHBondContact O-CA 3.39Å; A432-V442 HydrophobicContact CB-CG2 3.81Å; V442-V444 HydrophobicContact CG1-CG2 3.92Å; V442-I456 HydrophobicContact CB-CD1 4.26Å; V442-I456 HydrophobicContact CG1-CD1 3.96Å; V442-I456 HydrophobicContact CG2-CG2 4.45Å; V442-T475 CarbonylContact O-C 3.44Å; V442-T475 WeakPolarHBondContact O-CA 3.46Å; V442-Y476 PolarHBondContact N-O 2.9Å; V442-Y476 PolarHBondContact O-N 2.81Å; V442-W478 HydrophobicContact CB-CH2 4.42Å; V442-W478 HydrophobicContact CB-CZ3 4.3Å; V442-W478 HydrophobicContact CG2-CH2 3.55Å; V442-W478 HydrophobicContact CG2-CZ3 3.89Å
443	V	98.6	Very high	96.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.7	172.4	-173.7	0	0	0	0	108.7	H406 F407 I411 A430 V431 I473 H474 T475	H406-V443 WeakPolarHBondContact O-CG2 3.5Å; F407-V443 HydrophobicContact CD1-CG2 4.16Å; F407-V443 HydrophobicContact CE1-CB 4.01Å; F407-V443 HydrophobicContact CE1-CG1 3.91Å; F407-V443 HydrophobicContact CE1-CG2 4.08Å; F407-V443 HydrophobicContact CE2-CG1 4.19Å; F407-V443 HydrophobicContact CZ-CB 4.28Å; F407-V443 HydrophobicContact CZ-CG1 3.67Å; I411-V443 HydrophobicContact CD1-CG2 4.5Å; A430-V443 VanDerWaalsContact CA-O 3.27Å; A430-V443 WeakPolarHBondContact CA-O 3.45Å; V431-V443 HydrophobicContact CG1-CB 4.04Å; V431-V443 PolarHBondContact N-O 3.39Å; V431-V443 PolarHBondContact O-N 2.98Å; V443-I473 HydrophobicContact CG1-CD1 4.04Å; V443-I473 HydrophobicContact CG1-CG1 4.06Å; V443-H474 CarbonylContact C-O 3.58Å; V443-H474 VanDerWaalsContact CA-O 3.29Å; V443-H474 WeakPolarHBondContact CA-O 3.32Å; V443-T475 HydrophobicContact CG2-CG2 4Å
444	V	98.2	Very high	96.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125	177.6	-176.3	0	0	0	0	108.8	L106 P428 D429 A430 V442 L454 I473 H474 Y476	L106-V444 HydrophobicContact CD1-CG2 4.36Å; P428-V444 HydrophobicContact CB-CG1 3.97Å; D429-V444 CarbonylContact O-C 3.44Å; D429-V444 WeakPolarHBondContact O-CA 3.32Å; A430-V444 HydrophobicContact CB-CG2 4.18Å; V442-V444 HydrophobicContact CG1-CG2 3.92Å; V444-L454 HydrophobicContact CG1-CD2 4.27Å; V444-I473 CarbonylContact O-C 3.59Å; V444-I473 WeakPolarHBondContact O-CA 3.37Å; V444-H474 PolarHBondContact N-O 2.97Å; V444-H474 PolarHBondContact O-N 3.26Å; V444-Y476 HydrophobicContact CB-CE2 4.41Å; V444-Y476 HydrophobicContact CG2-CD2 4.35Å; V444-Y476 HydrophobicContact CG2-CE2 4Å
445	L	97.6	Very high	96.6	Very high	25 Å²	25	41.2 Å²	41.2	13%	0.131	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.8	177.1	173.4	68.1	0	0	0	109.3	L359 P428 D429 R447 I473	L359-L445 HydrophobicContact CD1-CB 4.02Å; L359-L445 HydrophobicContact CD1-CD2 3.74Å; P428-L445 CarbonylContact C-O 3.57Å; P428-L445 WeakPolarHBondContact CA-O 3.48Å; D429-L445 PolarHBondContact N-O 2.85Å; D429-L445 PolarHBondContact O-N 3Å; L445-R447 HydrophobicContact CD1-CG 4.42Å; L445-R447 HydrophobicContact CD2-CG 3.87Å; L445-R447 HydrophobicContact CG-CG 3.9Å; L445-I473 HydrophobicContact CD1-CB 3.89Å; L445-I473 HydrophobicContact CD1-CD1 4.4Å; L445-I473 HydrophobicContact CD1-CG1 4.37Å
446	N	96.8	Very high	96.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	104.9	171.5	-177.3	1.4	0	0	0	109.9	P428 S448 K450 S468 P469 Y471 S472	P428-N446 HydrophobicContact CG-CB 4.5Å; N446-S448 VanDerWaalsContact C-N 3.34Å; N446-S448 WeakPolarHBondContact OD1-CA 3.29Å; N446-S448 WeakPolarHBondContact OD1-CB 3.2Å; N446-S448 PolarHBondContact OD1-N 3.45Å; N446-S448 PolarHBondContact OD1-OG 3.36Å; N446-K450 PolarHBondContact ND2-O 3.45Å; N446-S468 WeakPolarHBondContact CB-OG 3.33Å; N446-S468 PolarHBondContact ND2-O 2.99Å; N446-P469 PolarHBondContact ND2-O 3.47Å; N446-P469 VanDerWaalsContact ND2-O 3.17Å; N446-Y471 WeakPolarHBondContact O-CA 3.24Å; N446-Y471 PolarHBondContact O-N 2.86Å; N446-S472 PolarHBondContact N-O 3.03Å; N446-S472 PolarHBondContact O-N 3.36Å
447	R	94.3	Very high	96.7	Very high	119 Å²	119	39.3 Å²	39.3	45%	0.449	21%	0.213	S	C	.	.			trans	-82.9	-12.7	176.6	-63.9	-175.6	-78.6	162.3	-1.7	113	D363 D429 L445 Y471	D363-R447 PolarHBondContact O-NH1 2.74Å; D429-R447 VanDerWaalsContact CG-NH2 3.34Å; D429-R447 IonicContact OD1-NH2 3.14Å; D429-R447 PolarHBondContact OD1-NH2 3.43Å; D429-R447 IonicContact OD2-CZ 3.28Å; D429-R447 IonicContact OD2-NE 3.86Å; D429-R447 PolarHBondContact OD2-NE 3.4Å; D429-R447 IonicContact OD2-NH2 3.06Å; D429-R447 PolarHBondContact OD2-NH2 2.88Å; L445-R447 HydrophobicContact CD1-CG 4.42Å; L445-R447 HydrophobicContact CD2-CG 3.87Å; L445-R447 HydrophobicContact CG-CG 3.9Å; R447-Y471 WeakPolarHBondContact O-CD1 3.47Å; R447-Y471 WeakPolarHBondContact O-CE1 3.48Å
448	S	95.8	Very high	96.9	Very high	24 Å²	24	34.5 Å²	34.5	17%	0.168	19%	0.187	C	C	.	.	S	Bend	trans	-79.1	165.7	179.8	86.7	0	0	0	0	111.3	N446 K450 G470 Y471	N446-S448 VanDerWaalsContact C-N 3.34Å; N446-S448 WeakPolarHBondContact OD1-CA 3.29Å; N446-S448 WeakPolarHBondContact OD1-CB 3.2Å; N446-S448 PolarHBondContact OD1-N 3.45Å; N446-S448 PolarHBondContact OD1-OG 3.36Å; S448-K450 VanDerWaalsContact C-N 3.3Å; S448-K450 PolarHBondContact OG-N 3Å; S448-K450 PolarHBondContact OG-O 3.27Å; S448-G470 CarbonylContact O-C 3.44Å; S448-G470 WeakPolarHBondContact O-CA 3.42Å; S448-Y471 PolarHBondContact O-N 3.27Å
449	S	96.1	Very high	97	Very high	79 Å²	79	37 Å²	37	55%	0.552	20%	0.198	S	C	*	.	S	Bend	trans	-81.1	-7.6	171.9	55.3	0	0	0	0	114.2	Y471	S449-Y471 VanDerWaalsContact CA-CE2 3.43Å
450	K	96.9	Very high	97	Very high	145 Å²	145	39.1 Å²	39.1	63%	0.63	22%	0.216	S	C	*	.	S	Bend	trans	-97	138.3	-172.4	-64.1	179.5	-177.8	176	0	110.2	N446 S448	N446-K450 PolarHBondContact ND2-O 3.45Å; S448-K450 VanDerWaalsContact C-N 3.3Å; S448-K450 PolarHBondContact OG-N 3Å; S448-K450 PolarHBondContact OG-O 3.27Å
451	D	97	Very high	97	Very high	96 Å²	96	40.7 Å²	40.7	51%	0.513	23%	0.226	S	C	.	.			trans	-70.9	133.4	169.5	-65.2	-2.5	0	0	0	109.4	I467 P469 G470	D451-I467 HydrophobicContact CB-CD1 3.89Å; D451-I467 HydrophobicContact CB-CG1 4.24Å; D451-P469 VanDerWaalsContact OD1-CA 3.25Å; D451-P469 WeakPolarHBondContact OD1-CA 3.3Å; D451-G470 PolarHBondContact OD1-N 3.2Å
452	V	95.9	Very high	97	Very high	25 Å²	25	41.2 Å²	41.2	15%	0.152	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	105.9	-179.3	-178	0	0	0	0	108.8	L104 P428 L454 S468	L104-V452 HydrophobicContact CB-CG1 4.47Å; L104-V452 HydrophobicContact CD2-CG1 4.13Å; P428-V452 HydrophobicContact CG-CB 4.16Å; P428-V452 HydrophobicContact CG-CG1 4.13Å; P428-V452 HydrophobicContact CG-CG2 4.04Å; V452-L454 PolarHBondContact O-N 3.21Å; V452-S468 PolarHBondContact N-O 3.29Å; V452-S468 PolarHBondContact O-N 2.57Å
453	P	95.6	Very high	97	Very high	84 Å²	84	42.7 Å²	42.7	55%	0.545	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	127.6	166	-20.7	32.9	0	0	0	109.2
454	L	94.7	Very high	96.9	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	150.2	-177.9	77.3	102	0	0	0	111.1	L104 L106 V444 V452 I456 T466	L104-L454 HydrophobicContact CB-CB 4.37Å; L104-L454 HydrophobicContact CD2-CB 4.42Å; L104-L454 CarbonylContact O-C 3.55Å; L104-L454 VanDerWaalsContact O-CA 3.28Å; L104-L454 WeakPolarHBondContact O-CA 3.32Å; L106-L454 HydrophobicContact CD1-CD1 4.28Å; V444-L454 HydrophobicContact CG1-CD2 4.27Å; V452-L454 PolarHBondContact O-N 3.21Å; L454-I456 HydrophobicContact CD1-CD1 4.18Å; L454-I456 HydrophobicContact CD1-CG1 3.7Å; L454-T466 HydrophobicContact CD1-CG2 3.45Å; L454-T466 VanDerWaalsContact CD1-CG2 3.45Å; L454-T466 HydrophobicContact CD2-CG2 4.14Å; L454-T466 HydrophobicContact CG-CG2 3.52Å; L454-T466 PolarHBondContact N-O 3.29Å; L454-T466 CarbonylContact O-C 3.58Å; L454-T466 PolarHBondContact O-N 2.89Å
455	T	97.8	Very high	96.8	Very high	9 Å²	9	46.4 Å²	46.4	6%	0.055	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.8	173.8	-57.1	0	0	0	0	108.8	H99 L104 L105 L106 F463 L464 E465	H99-T455 PolarHBondContact CE1-OG1 2.91Å; H99-T455 VanDerWaalsContact CE1-OG1 3.25Å; L104-T455 PolarHBondContact O-N 3.25Å; L105-T455 CarbonylContact C-O 3.45Å; L105-T455 WeakPolarHBondContact CA-O 3.47Å; L105-T455 HydrophobicContact CD1-CG2 3.76Å; L106-T455 PolarHBondContact N-O 2.93Å; T455-F463 HydrophobicContact CG2-CB 3.9Å; T455-F463 HydrophobicContact CG2-CD1 3.92Å; T455-F463 HydrophobicContact CG2-CG 4.4Å; T455-L464 WeakPolarHBondContact CA-O 3.3Å; T455-E465 HydrophobicContact CG2-CG 4.3Å
456	I	98.4	Very high	96.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.3	171.6	-55.5	168.4	0	0	0	107.8	L106 V442 L454 F463 L464 Y476 W478	L106-I456 HydrophobicContact CB-CG1 4.47Å; L106-I456 CarbonylContact O-C 3.53Å; L106-I456 WeakPolarHBondContact O-CA 3.12Å; V442-I456 HydrophobicContact CB-CD1 4.26Å; V442-I456 HydrophobicContact CG1-CD1 3.96Å; V442-I456 HydrophobicContact CG2-CG2 4.45Å; L454-I456 HydrophobicContact CD1-CD1 4.18Å; L454-I456 HydrophobicContact CD1-CG1 3.7Å; I456-F463 WeakPolarHBondContact O-CA 3.23Å; I456-L464 HydrophobicContact CB-CB 4.2Å; I456-L464 PolarHBondContact N-O 2.91Å; I456-L464 PolarHBondContact O-N 3.39Å; I456-Y476 HydrophobicContact CD1-CD1 4.36Å; I456-Y476 HydrophobicContact CD1-CD2 3.74Å; I456-Y476 HydrophobicContact CD1-CE2 4.06Å; I456-Y476 HydrophobicContact CD1-CG 3.91Å; I456-W478 HydrophobicContact CG2-CH2 4.07Å
457	K	98.4	Very high	96.7	Very high	72 Å²	72	50 Å²	50	31%	0.313	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.6	175.2	178.7	-176.4	-177.7	-179.4	0	110.1	L105 L106 T107 L108 G462 F463	L105-K457 HydrophobicContact CD1-CB 3.96Å; L106-K457 PolarHBondContact O-N 3.25Å; T107-K457 HydrophobicContact CG2-CB 4.44Å; T107-K457 HydrophobicContact CG2-CD 4.08Å; T107-K457 HydrophobicContact CG2-CG 4.42Å; L108-K457 WeakPolarHBondContact CB-O 3.19Å; L108-K457 PolarHBondContact N-O 3.15Å; K457-G462 WeakPolarHBondContact CA-O 3.35Å; K457-F463 HydrophobicContact CB-CD1 3.93Å; K457-F463 HydrophobicContact CB-CE1 3.97Å; K457-F463 HydrophobicContact CD-CD1 4.45Å; K457-F463 HydrophobicContact CD-CE1 3.66Å; K457-F463 HydrophobicContact CD-CZ 4.03Å; K457-F463 HydrophobicContact CG-CD1 4.06Å; K457-F463 HydrophobicContact CG-CE1 3.74Å; K457-F463 HydrophobicContact CG-CZ 4.24Å
458	D	98.1	Very high	96.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.3	161.7	-177.4	-21.2	0	0	0	108.3	L108 A460 V461 G462 W478 R480	L108-D458 HydrophobicContact CD2-CB 4.41Å; D458-A460 PolarHBondContact O-N 2.96Å; D458-A460 WeakPolarHBondContact OD1-CB 3.35Å; D458-A460 PolarHBondContact OD1-N 2.93Å; D458-V461 HydrophobicContact CB-CG2 3.64Å; D458-V461 PolarHBondContact O-N 2.77Å; D458-V461 VanDerWaalsContact O-N 3.07Å; D458-G462 PolarHBondContact N-O 3.3Å; D458-G462 PolarHBondContact O-N 3.46Å; D458-W478 HydrophobicContact CB-CZ2 3.89Å; D458-W478 PolarHBondContact OD2-NE1 2.9Å; D458-R480 IonicContact OD1-CZ 2.92Å; D458-R480 IonicContact OD1-NE 3Å; D458-R480 PolarHBondContact OD1-NE 2.92Å; D458-R480 IonicContact OD1-NH2 3.79Å; D458-R480 PolarHBondContact OD1-NH2 2.66Å; D458-R480 VanDerWaalsContact OD2-CD 3.3Å; D458-R480 WeakPolarHBondContact OD2-CD 3.49Å; D458-R480 VanDerWaalsContact OD2-CG 3.28Å; D458-R480 WeakPolarHBondContact OD2-CG 3.5Å; D458-R480 IonicContact OD2-NE 3.39Å; D458-R480 PolarHBondContact OD2-NE 3.02Å
459	P	96.8	Very high	96.9	Very high	82 Å²	82	44.3 Å²	44.3	53%	0.532	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-22.8	-178.7	-26.4	34.4	0	0	0	115.1	L108	L108-P459 WeakPolarHBondContact O-CD 3.45Å
460	A	96.8	Very high	96.9	Very high	58 Å²	58	41.3 Å²	41.3	48%	0.479	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-26.3	-179.8	0	0	0	0	0	114.1	D458 R480	D458-A460 PolarHBondContact O-N 2.96Å; D458-A460 WeakPolarHBondContact OD1-CB 3.35Å; D458-A460 PolarHBondContact OD1-N 2.93Å; A460-R480 VanDerWaalsContact CB-NH2 3.34Å
461	V	97.2	Very high	97	Very high	33 Å²	33	38.7 Å²	38.7	20%	0.2	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-21.7	-170.7	-62.9	0	0	0	0	115	L73 I95 D458	L73-V461 HydrophobicContact CD1-CG1 4.44Å; I95-V461 HydrophobicContact CD1-CB 4.48Å; I95-V461 HydrophobicContact CD1-CG2 4.05Å; I95-V461 HydrophobicContact CG2-CB 4.32Å; I95-V461 HydrophobicContact CG2-CG2 4.16Å; I95-V461 VanDerWaalsContact CG2-O 3.28Å; I95-V461 WeakPolarHBondContact CG2-O 3.44Å; D458-V461 HydrophobicContact CB-CG2 3.64Å; D458-V461 PolarHBondContact O-N 2.77Å; D458-V461 VanDerWaalsContact O-N 3.07Å
462	G	97.3	Very high	97	Very high	11 Å²	11	34.1 Å²	34.1	11%	0.113	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.3	-138.7	177.6	0	0	0	0	0	114	Q96 K457 D458	Q96-G462 CarbonylContact O-C 3.56Å; Q96-G462 WeakPolarHBondContact O-CA 3.25Å; K457-G462 WeakPolarHBondContact CA-O 3.35Å; D458-G462 PolarHBondContact N-O 3.3Å; D458-G462 PolarHBondContact O-N 3.46Å
463	F	98.3	Very high	97.2	Very high	31 Å²	31	33 Å²	33	14%	0.136	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126	-164.8	-58.8	-92.4	0	0	0	112	Q96 A97 H99 L105 T455 I456 K457	Q96-F463 PolarHBondContact N-O 2.99Å; Q96-F463 PolarHBondContact O-N 3.43Å; A97-F463 WeakPolarHBondContact O-CE2 3.38Å; H99-F463 HydrophobicContact CB-CB 4.1Å; H99-F463 HydrophobicContact CB-CD1 3.41Å; H99-F463 VanDerWaalsContact CB-CD1 3.41Å; H99-F463 HydrophobicContact CB-CD2 3.88Å; H99-F463 HydrophobicContact CB-CE1 3.63Å; H99-F463 HydrophobicContact CB-CE2 4.11Å; H99-F463 HydrophobicContact CB-CG 3.53Å; H99-F463 HydrophobicContact CB-CZ 3.99Å; L105-F463 HydrophobicContact CD1-CD1 4.28Å; L105-F463 HydrophobicContact CD1-CE1 4.41Å; T455-F463 HydrophobicContact CG2-CB 3.9Å; T455-F463 HydrophobicContact CG2-CD1 3.92Å; T455-F463 HydrophobicContact CG2-CG 4.4Å; I456-F463 WeakPolarHBondContact O-CA 3.23Å; K457-F463 HydrophobicContact CB-CD1 3.93Å; K457-F463 HydrophobicContact CB-CE1 3.97Å; K457-F463 HydrophobicContact CD-CD1 4.45Å; K457-F463 HydrophobicContact CD-CE1 3.66Å; K457-F463 HydrophobicContact CD-CZ 4.03Å; K457-F463 HydrophobicContact CG-CD1 4.06Å; K457-F463 HydrophobicContact CG-CE1 3.74Å; K457-F463 HydrophobicContact CG-CZ 4.24Å
464	L	97.8	Very high	97.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	101.8	172.5	-67.6	67.4	0	0	0	107.8	F76 I95 T455 I456 W478	F76-L464 HydrophobicContact CB-CD2 3.5Å; F76-L464 HydrophobicContact CB-CG 4.05Å; F76-L464 HydrophobicContact CD1-CB 4Å; F76-L464 HydrophobicContact CD1-CD2 3.82Å; F76-L464 HydrophobicContact CD1-CG 3.56Å; F76-L464 HydrophobicContact CD2-CD2 4.06Å; F76-L464 HydrophobicContact CE1-CB 4.02Å; F76-L464 HydrophobicContact CE1-CG 4.11Å; F76-L464 HydrophobicContact CG-CB 4.47Å; F76-L464 HydrophobicContact CG-CD2 3.53Å; F76-L464 HydrophobicContact CG-CG 3.85Å; I95-L464 HydrophobicContact CD1-CD1 4.19Å; I95-L464 HydrophobicContact CG1-CD1 3.96Å; I95-L464 HydrophobicContact CG1-CG 4.11Å; I95-L464 HydrophobicContact CG2-CD1 4.12Å; T455-L464 WeakPolarHBondContact CA-O 3.3Å; I456-L464 HydrophobicContact CB-CB 4.2Å; I456-L464 PolarHBondContact N-O 2.91Å; I456-L464 PolarHBondContact O-N 3.39Å; L464-W478 HydrophobicContact CD2-CD2 4.07Å; L464-W478 HydrophobicContact CD2-CE3 3.67Å; L464-W478 HydrophobicContact CD2-CZ3 3.98Å
465	E	96.3	Very high	97.5	Very high	78 Å²	78	28.9 Å²	28.9	36%	0.364	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127	176	-60.3	-165.6	149.1	0	0	110.2	Q96 H99 T455	Q96-E465 PolarHBondContact NE2-OE2 2.74Å; H99-E465 IonicContact CE1-OE1 3.73Å; H99-E465 IonicContact ND1-OE1 3.7Å; H99-E465 PolarHBondContact ND1-OE1 3.46Å; T455-E465 HydrophobicContact CG2-CG 4.3Å
466	T	95.7	Very high	97.5	Very high	29 Å²	29	28.5 Å²	28.5	18%	0.178	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	178.9	-174.4	-165.2	0	0	0	0	111.7	L454 Y476	L454-T466 HydrophobicContact CD1-CG2 3.45Å; L454-T466 VanDerWaalsContact CD1-CG2 3.45Å; L454-T466 HydrophobicContact CD2-CG2 4.14Å; L454-T466 HydrophobicContact CG-CG2 3.52Å; L454-T466 PolarHBondContact N-O 3.29Å; L454-T466 CarbonylContact O-C 3.58Å; L454-T466 PolarHBondContact O-N 2.89Å; T466-Y476 HydrophobicContact CG2-CE1 3.79Å; T466-Y476 WeakPolarHBondContact CG2-OH 3.32Å; T466-Y476 PolarHBondContact OG1-OH 3.11Å
467	I	95.4	Very high	97.5	Very high	73 Å²	73	28.5 Å²	28.5	37%	0.374	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.3	174.5	-168.5	168.9	0	0	0	107.3	D451 P469 H474	D451-I467 HydrophobicContact CB-CD1 3.89Å; D451-I467 HydrophobicContact CB-CG1 4.24Å; I467-P469 HydrophobicContact CG2-CG 4.46Å; I467-P469 WeakPolarHBondContact O-CD 3.22Å; I467-H474 PolarHBondContact O-CE1 3Å; I467-H474 PolarHBondContact O-ND1 2.83Å
468	S	96.7	Very high	97.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	99.2	165.2	-177.4	0	0	0	0	108	N446 V452 S472	N446-S468 WeakPolarHBondContact CB-OG 3.33Å; N446-S468 PolarHBondContact ND2-O 2.99Å; V452-S468 PolarHBondContact N-O 3.29Å; V452-S468 PolarHBondContact O-N 2.57Å; S468-S472 PolarHBondContact OG-OG 3.19Å
469	P	97.9	Very high	97.3	Very high	23 Å²	23	30.4 Å²	30.4	15%	0.149	17%	0.166	C	C	.	.			trans	-57.1	155.8	177.5	-24.5	34.3	0	0	0	112	N446 D451 I467 Y471 S472 H474	N446-P469 PolarHBondContact ND2-O 3.47Å; N446-P469 VanDerWaalsContact ND2-O 3.17Å; D451-P469 VanDerWaalsContact OD1-CA 3.25Å; D451-P469 WeakPolarHBondContact OD1-CA 3.3Å; I467-P469 HydrophobicContact CG2-CG 4.46Å; I467-P469 WeakPolarHBondContact O-CD 3.22Å; P469-Y471 PolarHBondContact O-N 3.49Å; P469-S472 WeakPolarHBondContact CD-OG 3.39Å; P469-S472 VanDerWaalsContact O-CB 3.29Å; P469-S472 WeakPolarHBondContact O-CB 3.36Å; P469-S472 PolarHBondContact O-N 3.18Å; P469-S472 PolarHBondContact O-OG 3.12Å; P469-H474 WeakPolarHBondContact CD-CE1 3.47Å
470	G	96.8	Very high	97.2	Very high	17 Å²	17	29.8 Å²	29.8	18%	0.175	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	136.9	171.4	0	0	0	0	0	111.3	S448 D451 S472	S448-G470 CarbonylContact O-C 3.44Å; S448-G470 WeakPolarHBondContact O-CA 3.42Å; D451-G470 PolarHBondContact OD1-N 3.2Å; G470-S472 PolarHBondContact O-N 3.28Å
471	Y	97.6	Very high	96.7	Very high	89 Å²	89	37 Å²	37	35%	0.349	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	49.5	-178.5	-50.2	-68.7	0	0	0	113.8	R83 N446 R447 S448 S449 P469	R83-Y471 HydrophobicContact CB-CG 4.49Å; R83-Y471 PolarHBondContact N-O 3.47Å; R83-Y471 VanDerWaalsContact NH1-CE2 3.29Å; R83-Y471 VanDerWaalsContact NH2-CE2 3.27Å; N446-Y471 WeakPolarHBondContact O-CA 3.24Å; N446-Y471 PolarHBondContact O-N 2.86Å; R447-Y471 WeakPolarHBondContact O-CD1 3.47Å; R447-Y471 WeakPolarHBondContact O-CE1 3.48Å; S448-Y471 PolarHBondContact O-N 3.27Å; S449-Y471 VanDerWaalsContact CA-CE2 3.43Å; P469-Y471 PolarHBondContact O-N 3.49Å
472	S	98.2	Very high	96.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	157.3	178.3	69.9	0	0	0	0	112.4	S81 N446 S468 P469 G470	S81-S472 WeakPolarHBondContact O-CA 3.39Å; N446-S472 PolarHBondContact N-O 3.03Å; N446-S472 PolarHBondContact O-N 3.36Å; S468-S472 PolarHBondContact OG-OG 3.19Å; P469-S472 WeakPolarHBondContact CD-OG 3.39Å; P469-S472 VanDerWaalsContact O-CB 3.29Å; P469-S472 WeakPolarHBondContact O-CB 3.36Å; P469-S472 PolarHBondContact O-N 3.18Å; P469-S472 PolarHBondContact O-OG 3.12Å; G470-S472 PolarHBondContact O-N 3.28Å
473	I	98.6	Very high	96.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.9	165.1	-178.4	170.3	0	0	0	108.9	S81 H406 F407 V443 V444 L445	S81-I473 PolarHBondContact N-O 3.25Å; S81-I473 PolarHBondContact O-N 2.66Å; H406-I473 HydrophobicContact CB-CD1 3.65Å; H406-I473 HydrophobicContact CB-CG1 4.07Å; H406-I473 PolarHBondContact CE1-O 2.94Å; H406-I473 PolarHBondContact NE2-O 3.11Å; F407-I473 HydrophobicContact CE2-CD1 4.05Å; V443-I473 HydrophobicContact CG1-CD1 4.04Å; V443-I473 HydrophobicContact CG1-CG1 4.06Å; V444-I473 CarbonylContact O-C 3.59Å; V444-I473 WeakPolarHBondContact O-CA 3.37Å; L445-I473 HydrophobicContact CD1-CB 3.89Å; L445-I473 HydrophobicContact CD1-CD1 4.4Å; L445-I473 HydrophobicContact CD1-CG1 4.37Å
474	H	98.4	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143	-178.7	-65.7	176.4	0	0	0	111.1	Y79 E80 V443 V444 I467 P469 Y476	Y79-H474 CarbonylContact O-C 3.59Å; Y79-H474 VanDerWaalsContact O-CA 3.22Å; Y79-H474 WeakPolarHBondContact O-CA 3.39Å; E80-H474 WeakPolarHBondContact CG-NE2 3.45Å; E80-H474 IonicContact OE1-NE2 3.47Å; E80-H474 PolarHBondContact OE1-NE2 3.03Å; V443-H474 CarbonylContact C-O 3.58Å; V443-H474 VanDerWaalsContact CA-O 3.29Å; V443-H474 WeakPolarHBondContact CA-O 3.32Å; V444-H474 PolarHBondContact N-O 2.97Å; V444-H474 PolarHBondContact O-N 3.26Å; I467-H474 PolarHBondContact O-CE1 3Å; I467-H474 PolarHBondContact O-ND1 2.83Å; P469-H474 WeakPolarHBondContact CD-CE1 3.47Å; H474-Y476 HydrophobicContact CB-CD2 4.18Å; H474-Y476 HydrophobicContact CB-CE2 3.42Å; H474-Y476 VanDerWaalsContact CB-CE2 3.42Å; H474-Y476 AromaticContact ND1-CZ 3.73Å; H474-Y476 PolarHBondContact ND1-OH 2.7Å
475	T	98.4	Very high	96.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.6	164.8	-52.8	0	0	0	0	109.7	R78 Y79 H406 F410 V441 V442 V443	R78-T475 WeakPolarHBondContact CA-O 3.48Å; Y79-T475 PolarHBondContact N-O 3.3Å; Y79-T475 PolarHBondContact O-N 3.01Å; H406-T475 WeakPolarHBondContact CB-OG1 3.38Å; H406-T475 PolarHBondContact ND1-OG1 2.96Å; H406-T475 PolarHBondContact O-OG1 2.95Å; F410-T475 HydrophobicContact CB-CG2 3.78Å; F410-T475 HydrophobicContact CD2-CG2 3.48Å; F410-T475 VanDerWaalsContact CD2-CG2 3.48Å; F410-T475 HydrophobicContact CE2-CG2 4.19Å; F410-T475 HydrophobicContact CG-CG2 3.74Å; V441-T475 HydrophobicContact CG2-CG2 3.52Å; V442-T475 CarbonylContact O-C 3.44Å; V442-T475 WeakPolarHBondContact O-CA 3.46Å; V443-T475 HydrophobicContact CG2-CG2 4Å
476	Y	98.3	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.4	-179.9	-60.6	-93.5	0	0	0	110.2	F76 S77 R78 V441 V442 V444 I456 T466 H474	F76-Y476 AromaticContact CD2-CD1 3.84Å; F76-Y476 HydrophobicContact CD2-CD1 3.84Å; F76-Y476 HydrophobicContact CD2-CE1 4.41Å; F76-Y476 AromaticContact CE2-CD1 3.86Å; F76-Y476 HydrophobicContact CE2-CD1 3.86Å; F76-Y476 AromaticContact CE2-CE1 3.97Å; F76-Y476 HydrophobicContact CE2-CE1 3.97Å; S77-Y476 CarbonylContact O-C 3.47Å; S77-Y476 VanDerWaalsContact O-CA 3.31Å; S77-Y476 WeakPolarHBondContact O-CA 3.42Å; R78-Y476 HydrophobicContact CB-CD1 4.03Å; R78-Y476 HydrophobicContact CB-CE1 4.03Å; R78-Y476 HydrophobicContact CG-CD1 3.99Å; R78-Y476 HydrophobicContact CG-CE1 3.59Å; V441-Y476 WeakPolarHBondContact CA-O 3.46Å; V442-Y476 PolarHBondContact N-O 2.9Å; V442-Y476 PolarHBondContact O-N 2.81Å; V444-Y476 HydrophobicContact CB-CE2 4.41Å; V444-Y476 HydrophobicContact CG2-CD2 4.35Å; V444-Y476 HydrophobicContact CG2-CE2 4Å; I456-Y476 HydrophobicContact CD1-CD1 4.36Å; I456-Y476 HydrophobicContact CD1-CD2 3.74Å; I456-Y476 HydrophobicContact CD1-CE2 4.06Å; I456-Y476 HydrophobicContact CD1-CG 3.91Å; T466-Y476 HydrophobicContact CG2-CE1 3.79Å; T466-Y476 WeakPolarHBondContact CG2-OH 3.32Å; T466-Y476 PolarHBondContact OG1-OH 3.11Å; H474-Y476 HydrophobicContact CB-CD2 4.18Å; H474-Y476 HydrophobicContact CB-CE2 3.42Å; H474-Y476 VanDerWaalsContact CB-CE2 3.42Å; H474-Y476 AromaticContact ND1-CZ 3.73Å; H474-Y476 PolarHBondContact ND1-OH 2.7Å
477	L	97.9	Very high	96.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	138.5	177.5	-62.2	171.1	0	0	0	109.7	P68 F70 F76 S77 Y79 F410 V441	P68-L477 HydrophobicContact CB-CD1 4.47Å; F70-L477 HydrophobicContact CE1-CB 4.32Å; F70-L477 HydrophobicContact CE1-CD2 4.32Å; F76-L477 CarbonylContact C-O 3.54Å; F76-L477 WeakPolarHBondContact CA-O 3.38Å; S77-L477 PolarHBondContact N-O 3.12Å; S77-L477 PolarHBondContact O-N 3.36Å; Y79-L477 HydrophobicContact CE2-CD1 4.05Å; F410-L477 HydrophobicContact CD1-CD1 3.74Å; F410-L477 HydrophobicContact CE1-CD1 4.21Å; F410-L477 HydrophobicContact CG-CD1 4.48Å; V441-L477 HydrophobicContact CB-CD2 3.55Å; V441-L477 HydrophobicContact CG2-CD2 3.54Å
478	W	97.6	Very high	96.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	168	172.5	63.3	99.1	0	0	0	111	F76 I95 L108 P440 V442 I456 D458 L464	F76-W478 HydrophobicContact CB-CB 4.02Å; I95-W478 HydrophobicContact CD1-CB 3.88Å; I95-W478 HydrophobicContact CD1-CG 4.06Å; L108-W478 HydrophobicContact CD2-CZ2 4.01Å; P440-W478 HydrophobicContact CB-CD2 4.32Å; P440-W478 HydrophobicContact CB-CH2 3.88Å; P440-W478 HydrophobicContact CB-CZ2 3.57Å; P440-W478 HydrophobicContact CB-CZ3 4.37Å; P440-W478 VanDerWaalsContact CD-O 3.27Å; P440-W478 WeakPolarHBondContact CD-O 3.22Å; P440-W478 HydrophobicContact CG-CD2 3.5Å; P440-W478 HydrophobicContact CG-CE3 4.15Å; P440-W478 HydrophobicContact CG-CG 3.85Å; P440-W478 HydrophobicContact CG-CH2 4.08Å; P440-W478 HydrophobicContact CG-CZ2 3.41Å; P440-W478 VanDerWaalsContact CG-CZ2 3.41Å; P440-W478 HydrophobicContact CG-CZ3 4.41Å; V442-W478 HydrophobicContact CB-CH2 4.42Å; V442-W478 HydrophobicContact CB-CZ3 4.3Å; V442-W478 HydrophobicContact CG2-CH2 3.55Å; V442-W478 HydrophobicContact CG2-CZ3 3.89Å; I456-W478 HydrophobicContact CG2-CH2 4.07Å; D458-W478 HydrophobicContact CB-CZ2 3.89Å; D458-W478 PolarHBondContact OD2-NE1 2.9Å; L464-W478 HydrophobicContact CD2-CD2 4.07Å; L464-W478 HydrophobicContact CD2-CE3 3.67Å; L464-W478 HydrophobicContact CD2-CZ3 3.98Å
479	R	96.3	Very high	96.7	Very high	112 Å²	112	40.2 Å²	40.2	42%	0.423	18%	0.181	S	C	.	.			trans	-93.6	144.3	171.1	-66.1	-178.6	-175.9	-115.1	-2.2	110	F70 P71 L73	F70-R479 HydrophobicContact CB-CG 4.17Å; P71-R479 VanDerWaalsContact O-CD 3.3Å; P71-R479 WeakPolarHBondContact O-CD 3.4Å; P71-R479 PolarHBondContact O-NE 2.67Å; P71-R479 VanDerWaalsContact O-NE 3.14Å; L73-R479 HydrophobicContact CD1-CB 4.17Å
480	R	93.9	Very high	96.6	Very high	69 Å²	69	41.6 Å²	41.6	26%	0.26	18%	0.183	S	C	.	.			trans	-96.6	-19.2	177.1	-72.3	-177.7	83	-129.6	-4.7	114.6	P440 D458 A460	P440-R480 VanDerWaalsContact CD-CG 3.46Å; P440-R480 HydrophobicContact CG-CG 3.75Å; D458-R480 IonicContact OD1-CZ 2.92Å; D458-R480 IonicContact OD1-NE 3Å; D458-R480 PolarHBondContact OD1-NE 2.92Å; D458-R480 IonicContact OD1-NH2 3.79Å; D458-R480 PolarHBondContact OD1-NH2 2.66Å; D458-R480 VanDerWaalsContact OD2-CD 3.3Å; D458-R480 WeakPolarHBondContact OD2-CD 3.49Å; D458-R480 VanDerWaalsContact OD2-CG 3.28Å; D458-R480 WeakPolarHBondContact OD2-CG 3.5Å; D458-R480 IonicContact OD2-NE 3.39Å; D458-R480 PolarHBondContact OD2-NE 3.02Å; A460-R480 VanDerWaalsContact CB-NH2 3.34Å
481	Q	87	Confident	96.6	Very high	209 Å²	209	43.8 Å²	43.8	98%	0.977	18%	0.184	S	C	*	.			trans	-155	0	179.3	59	-171.7	8	0	0	110.1

Retrieved 481 of 481 residues in 619.8 ms (Link to these results)

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