A0A077Z8H9_TRITR Loading...

Acidic mammalian chitinase

AlphaFold DB , UniProt , Accession A0A077Z8H9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 502 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	29.3	Very low	33.9	Very low	241 Å²	241	158.2 Å²	158.2	100%	1.187	82%	0.818	S	S	*	*				0	110.9	0	-152	166.8	159.4	0	0	106.1
2	L	34	Very low	33.8	Very low	166 Å²	166	157.5 Å²	157.5	87%	0.869	82%	0.816	S	S	*	*			trans	14.2	115.8	-174.9	-83.4	74	0	0	0	119.6
3	L	35.4	Very low	33.7	Very low	157 Å²	157	155.9 Å²	155.9	82%	0.822	81%	0.808	S	S	*	*				64	101.1	53.9	-89	158.9	0	0	0	115.7
4	I	36.6	Very low	33.9	Very low	159 Å²	159	153 Å²	153	82%	0.815	80%	0.801	S	S	*	*				160.9	118.2	107.7	-80.2	148.4	0	0	0	110.8
5	F	35.9	Very low	34.1	Very low	193 Å²	193	149.3 Å²	149.3	85%	0.846	80%	0.801	S	S	*	*			trans	-101	137.8	174.5	-104.3	-98.7	0	0	0	109.5
6	L	35.7	Very low	34.1	Very low	167 Å²	167	144.8 Å²	144.8	87%	0.874	79%	0.791	S	S	*	*				161	119.8	112.1	-103.6	121.7	0	0	0	111
7	T	38.7	Very low	34.2	Very low	119 Å²	119	147.3 Å²	147.3	73%	0.73	80%	0.796	S	S	*	*			trans	-104.9	144.6	-178	38.1	0	0	0	0	112.3
8	L	33	Very low	34.3	Very low	144 Å²	144	145.8 Å²	145.8	75%	0.754	80%	0.798	S	S	*	*			trans	31.1	125.6	144.4	-72.7	99.7	0	0	0	120.4
9	I	32.1	Very low	34.4	Very low	138 Å²	138	142.2 Å²	142.2	71%	0.708	80%	0.798	S	S	*	*				70.3	110.8	66.5	-67.5	-179.3	0	0	0	114
10	H	30.3	Very low	34.5	Very low	167 Å²	167	139.9 Å²	139.9	77%	0.773	80%	0.798	S	S	*	*			trans	92.2	116.1	142.8	-83.2	57.4	0	0	0	123.6
11	S	31.5	Very low	34.6	Very low	89 Å²	89	142.2 Å²	142.2	62%	0.622	80%	0.802	S	S	*	*				94.8	137.5	123.1	-47.6	0	0	0	0	122.9
12	L	32.6	Very low	35.4	Very low	150 Å²	150	135.6 Å²	135.6	79%	0.785	78%	0.777	S	S	*	*			trans	120.3	121.1	132.3	-64.7	176.6	0	0	0	119.1
13	L	32.5	Very low	35.5	Very low	137 Å²	137	136.1 Å²	136.1	72%	0.717	78%	0.777	S	S	*	*			trans	63.6	144.2	137.6	-79.7	87.1	0	0	0	118.6
14	T	37.3	Very low	35.5	Very low	115 Å²	115	133 Å²	133	71%	0.706	77%	0.767	S	S	*	*			cis	-173.9	139	19.8	9.4	0	0	0	0	107.8
15	A	36	Very low	35.4	Very low	97 Å²	97	132.1 Å²	132.1	80%	0.802	76%	0.764	S	S	*	*				60.7	140.3	105.7	0	0	0	0	0	115.6
16	A	34.8	Very low	35.6	Very low	78 Å²	78	130 Å²	130	65%	0.645	77%	0.767	S	S	*	*			cis	-169	166.1	17.8	0	0	0	0	0	111.6
17	E	35.6	Very low	35.5	Very low	187 Å²	187	127.8 Å²	127.8	87%	0.874	76%	0.761	S	S	*	*			trans	69.4	142.7	146.5	-72.6	165.5	-165.7	0	0	120
18	S	36.5	Very low	35.4	Very low	120 Å²	120	134.2 Å²	134.2	84%	0.839	77%	0.771	S	S	*	*			cis	-175.7	159.5	0.9	50.3	0	0	0	0	108.3
19	G	36	Very low	35.4	Very low	77 Å²	77	138.7 Å²	138.7	79%	0.794	78%	0.778	S	S	*	*			trans	143.3	84.9	155.9	0	0	0	0	0	120.9
20	A	36.8	Very low	35.6	Very low	97 Å²	97	143.5 Å²	143.5	80%	0.802	79%	0.787	S	S	*	*			trans	50.3	106.3	136.3	0	0	0	0	0	125.2
21	H	36.6	Very low	35.8	Very low	189 Å²	189	140.6 Å²	140.6	88%	0.875	79%	0.786	S	S	*	*				26.1	167.6	115	-83	-44.8	0	0	0	124.3
22	P	45.3	Very low	35.8	Very low	101 Å²	101	140.9 Å²	140.9	66%	0.656	79%	0.794	S	S	*	*				-142.6	-163.5	-54.8	40.8	-19.3	0	0	0	113.6
23	M	37.2	Very low	35.8	Very low	177 Å²	177	137.7 Å²	137.7	87%	0.872	80%	0.797	S	S	*	*			trans	117.2	138	165	-66.4	-81	-179.4	0	0	113.3
24	C	33.9	Very low	35.9	Very low	93 Å²	93	137.2 Å²	137.2	63%	0.628	80%	0.8	S	S	*	*			cis	-169.7	148.7	-8.2	-160.4	0	0	0	0	109.7
25	N	34.6	Very low	35.7	Very low	140 Å²	140	139.6 Å²	139.6	75%	0.749	81%	0.807	S	S	*	*			trans	57.4	117.4	152.7	-72.4	-18.6	0	0	0	123.7
26	T	40.3	Very low	35.6	Very low	147 Å²	147	145.9 Å²	145.9	90%	0.902	81%	0.811	S	S	*	*				-155.8	146.6	103.8	-17.3	0	0	0	0	113.9
27	V	34.8	Very low	35.7	Very low	122 Å²	122	150.9 Å²	150.9	74%	0.739	82%	0.818	S	S	*	*			trans	-65.6	140.7	-170.1	171.7	0	0	0	0	116.4
28	R	35.9	Very low	35.5	Very low	253 Å²	253	149.5 Å²	149.5	96%	0.955	82%	0.816	S	S	*	*				-162.6	128.7	129.5	-110.6	179.2	-176.3	-167.5	1.8	113.3
29	R	33.4	Very low	35.6	Very low	239 Å²	239	150 Å²	150	90%	0.902	81%	0.808	S	S	*	*			trans	-73.4	147.6	178.9	-74	174.8	166.9	179.2	-4.5	113.3
30	R	35.2	Very low	35.4	Very low	238 Å²	238	154.9 Å²	154.9	90%	0.898	81%	0.81	S	S	*	*			trans	176.6	105.3	133.6	-98.5	172.5	-173.3	-156.5	1.6	108.3
31	S	34.8	Very low	35.3	Very low	107 Å²	107	157.4 Å²	157.4	75%	0.748	81%	0.81	S	S	*	*				90.2	114.1	85.9	70.4	0	0	0	0	113.5
32	A	31.3	Very low	35.3	Very low	95 Å²	95	152.7 Å²	152.7	79%	0.785	80%	0.804	S	S	*	*			trans	9.8	106	157.3	0	0	0	0	0	117.6	T34	A32-T34 PolarHBondContact O-N 3.5Å
33	G	33.7	Very low	35.5	Very low	83 Å²	83	153 Å²	153	86%	0.856	81%	0.809	S	S	*	*			trans	-78.4	98.5	161.9	0	0	0	0	0	109.9	L35	G33-L35 PolarHBondContact O-N 3.29Å
34	T	33.9	Very low	36.6	Very low	126 Å²	126	147.5 Å²	147.5	77%	0.773	79%	0.791	S	S	*	*			trans	-57.2	128.5	164.6	-56.8	0	0	0	0	109.5	A32 R36	A32-T34 PolarHBondContact O-N 3.5Å; T34-R36 PolarHBondContact O-N 3.09Å
35	L	32.5	Very low	38.5	Very low	165 Å²	165	147.1 Å²	147.1	86%	0.864	78%	0.78	S	S	*	*			trans	-48.3	106.7	162.6	-111.8	87.3	0	0	0	108.5	G33 K37	G33-L35 PolarHBondContact O-N 3.29Å; L35-K37 PolarHBondContact O-N 2.96Å; L35-K37 VanDerWaalsContact O-N 3.09Å
36	R	34.8	Very low	41.1	Very low	230 Å²	230	147 Å²	147	87%	0.868	77%	0.773	S	S	*	*			trans	-66.3	107.5	163.3	-86.7	-178.4	170.1	-179.5	-4.2	106.7	T34 D38	T34-R36 PolarHBondContact O-N 3.09Å; R36-D38 PolarHBondContact O-N 3.41Å
37	K	36.1	Very low	43.8	Very low	183 Å²	183	140.7 Å²	140.7	80%	0.796	73%	0.733	S	S	*	*			trans	-58.8	109.5	153.6	-93.8	179.4	170.4	179.7	0	106.5	L35 I39	L35-K37 PolarHBondContact O-N 2.96Å; L35-K37 VanDerWaalsContact O-N 3.09Å; K37-I39 HydrophobicContact CB-CG1 4.37Å; K37-I39 PolarHBondContact O-N 2.9Å
38	D	32.8	Very low	46.8	Very low	157 Å²	157	135.8 Å²	135.8	84%	0.84	70%	0.703	S	S	*	*			trans	-61.7	88.5	156.8	-70.4	-42.9	0	0	0	107.6	R36 Q40	R36-D38 PolarHBondContact O-N 3.41Å; D38-Q40 VanDerWaalsContact C-N 3.34Å; D38-Q40 PolarHBondContact O-N 3.18Å
39	I	37.8	Very low	49.8	Very low	130 Å²	130	124.8 Å²	124.8	67%	0.667	66%	0.662	S	S	*	*			trans	-84.8	93.7	155.3	-62.1	176.5	0	0	0	103.9	K37 D41	K37-I39 HydrophobicContact CB-CG1 4.37Å; K37-I39 PolarHBondContact O-N 2.9Å; I39-D41 VanDerWaalsContact C-N 3.29Å; I39-D41 PolarHBondContact O-N 2.86Å
40	Q	32.6	Very low	52.9	Low	181 Å²	181	113.4 Å²	113.4	85%	0.846	62%	0.619	S	S	*	*			trans	-56.7	104.2	152.3	-84.5	174	-30.2	0	0	106	D38 A42	D38-Q40 VanDerWaalsContact C-N 3.34Å; D38-Q40 PolarHBondContact O-N 3.18Å; Q40-A42 PolarHBondContact O-N 3.02Å
41	D	33	Very low	55.9	Low	150 Å²	150	102 Å²	102	80%	0.802	58%	0.576	S	S	*	*			trans	-56.4	96.2	157.5	-98	-26.3	0	0	0	106.4	I39 S43	I39-D41 VanDerWaalsContact C-N 3.29Å; I39-D41 PolarHBondContact O-N 2.86Å; D41-S43 VanDerWaalsContact C-N 3.3Å; D41-S43 PolarHBondContact O-N 2.97Å
42	A	38	Very low	59	Low	89 Å²	89	97 Å²	97	74%	0.736	54%	0.54	S	S	*	.			trans	-59.9	103.3	158.2	0	0	0	0	0	105.2	Q40 A44	Q40-A42 PolarHBondContact O-N 3.02Å; A42-A44 PolarHBondContact O-N 3.42Å
43	S	49.2	Very low	62.2	Low	108 Å²	108	92.8 Å²	92.8	76%	0.755	50%	0.504	S	S	*	.			trans	-50	114.8	171.9	63.3	0	0	0	0	107	D41 E45	D41-S43 VanDerWaalsContact C-N 3.3Å; D41-S43 PolarHBondContact O-N 2.97Å; S43-E45 PolarHBondContact O-N 3.37Å
44	A	60.5	Low	65.3	Low	62 Å²	62	88.8 Å²	88.8	51%	0.512	46%	0.464	S	S	.	.			trans	-49.2	120.3	-173.7	0	0	0	0	0	109.6	A42 K46 N414	A42-A44 PolarHBondContact O-N 3.42Å; A44-K46 PolarHBondContact O-N 3.08Å; A44-N414 HydrophobicContact CB-CB 4.47Å; A44-N414 WeakPolarHBondContact CB-OD1 3.27Å; A44-N414 PolarHBondContact O-ND2 3.15Å
45	E	73.4	Confident	68.4	Low	85 Å²	85	82.9 Å²	82.9	40%	0.397	43%	0.427	S	S	.	.			trans	-54.9	115.4	-175.9	-79.9	-173.3	147.5	0	0	109.4	S43 Y47 K280 N414	S43-E45 PolarHBondContact O-N 3.37Å; E45-Y47 HydrophobicContact CB-CE2 3.8Å; E45-Y47 VanDerWaalsContact O-CD2 3.28Å; E45-Y47 WeakPolarHBondContact O-CD2 3.41Å; E45-Y47 WeakPolarHBondContact O-CE2 3.46Å; E45-Y47 PolarHBondContact OE2-OH 3.23Å; E45-K280 IonicContact OE1-NZ 2.6Å; E45-N414 PolarHBondContact O-OD1 3.37Å
46	K	88.3	Confident	71.4	Confident	136 Å²	136	79 Å²	79	59%	0.591	40%	0.401	S	S	*	.			trans	-80.9	131.9	178	-170.8	-179.3	178.3	-171.4	0	109.6	A44 E77	A44-K46 PolarHBondContact O-N 3.08Å; K46-E77 WeakPolarHBondContact CE-OE1 3.43Å; K46-E77 VanDerWaalsContact CE-OE2 3.28Å; K46-E77 WeakPolarHBondContact CE-OE2 3.29Å; K46-E77 IonicContact NZ-OE1 2.66Å; K46-E77 PolarHBondContact NZ-OE1 3.06Å; K46-E77 IonicContact NZ-OE2 3.21Å
47	Y	97.6	Very high	74.5	Confident	15 Å²	15	68 Å²	68	6%	0.059	36%	0.36	C	S	.	.			trans	-117.6	134.3	177.1	-70.2	-84.5	0	0	0	110.4	E45 I371 K372 Y376 G377 L412	E45-Y47 HydrophobicContact CB-CE2 3.8Å; E45-Y47 VanDerWaalsContact O-CD2 3.28Å; E45-Y47 WeakPolarHBondContact O-CD2 3.41Å; E45-Y47 WeakPolarHBondContact O-CE2 3.46Å; E45-Y47 PolarHBondContact OE2-OH 3.23Å; Y47-I371 HydrophobicContact CD1-CG2 4.29Å; Y47-I371 HydrophobicContact CE1-CG2 4.3Å; Y47-K372 HydrophobicContact CE1-CG 4.4Å; Y47-K372 HydrophobicContact CE2-CG 4.2Å; Y47-Y376 WeakPolarHBondContact CD1-O 3.48Å; Y47-Y376 VanDerWaalsContact CE1-O 3.25Å; Y47-Y376 WeakPolarHBondContact CE1-O 3.18Å; Y47-G377 CarbonylContact C-O 3.59Å; Y47-G377 WeakPolarHBondContact CA-O 3.35Å; Y47-L412 HydrophobicContact CD1-CD2 4.14Å; Y47-L412 HydrophobicContact CD2-CB 4.48Å; Y47-L412 HydrophobicContact CD2-CD2 4.16Å; Y47-L412 HydrophobicContact CG-CB 4.26Å; Y47-L412 HydrophobicContact CG-CD2 3.93Å
48	V	98.2	Very high	77.4	Confident	19 Å²	19	60 Å²	60	12%	0.115	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	137.9	171.5	169.8	0	0	0	0	109.7	Y78 F228 I283 G377 G378 A379	V48-Y78 HydrophobicContact CB-CE2 4.32Å; V48-Y78 HydrophobicContact CG1-CD2 3.72Å; V48-Y78 HydrophobicContact CG1-CE2 3.77Å; V48-Y78 HydrophobicContact CG2-CE2 4.1Å; V48-F228 HydrophobicContact CG1-CE1 4.48Å; V48-F228 HydrophobicContact CG1-CE2 4.41Å; V48-F228 HydrophobicContact CG1-CZ 4.18Å; V48-F228 HydrophobicContact CG2-CD1 4.44Å; V48-F228 HydrophobicContact CG2-CE1 4.45Å; V48-I283 HydrophobicContact CB-CD1 3.71Å; V48-I283 HydrophobicContact CB-CG1 4.29Å; V48-I283 HydrophobicContact CB-CG2 4.37Å; V48-I283 HydrophobicContact CG1-CD1 4.06Å; V48-I283 HydrophobicContact CG1-CG1 4.07Å; V48-I283 HydrophobicContact CG1-CG2 3.93Å; V48-I283 HydrophobicContact CG2-CD1 3.86Å; V48-G377 PolarHBondContact N-O 3.13Å; V48-G378 CarbonylContact O-C 3.46Å; V48-G378 VanDerWaalsContact O-CA 3.23Å; V48-G378 WeakPolarHBondContact O-CA 3.41Å; V48-A379 PolarHBondContact O-N 3.29Å
49	R	98.5	Very high	80.4	Confident	22 Å²	22	58.1 Å²	58.1	8%	0.083	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	101	174.2	-61.7	178	-61.2	114	-0.8	108.9	N74 L75 C76 E77 Y78 A379 M408 L412	R49-N74 PolarHBondContact NH1-O 3.07Å; R49-L75 PolarHBondContact NH1-O 3.2Å; R49-C76 CarbonylContact O-C 3.56Å; R49-C76 WeakPolarHBondContact O-CA 3.5Å; R49-E77 PolarHBondContact O-N 3.43Å; R49-Y78 PolarHBondContact O-N 2.98Å; R49-Y78 VanDerWaalsContact O-N 3.12Å; R49-A379 CarbonylContact C-O 3.57Å; R49-A379 WeakPolarHBondContact CA-O 3.37Å; R49-M408 HydrophobicContact CB-CB 4.49Å; R49-M408 VanDerWaalsContact CD-O 3.24Å; R49-M408 WeakPolarHBondContact CD-O 3.45Å; R49-M408 HydrophobicContact CG-CB 4.18Å; R49-L412 HydrophobicContact CG-CB 4.29Å
50	G	98.7	Very high	83.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	149.5	-173.8	0	0	0	0	0	113.5	Y78 A379 F380 V381 M408	G50-Y78 CarbonylContact C-O 3.56Å; G50-Y78 WeakPolarHBondContact CA-O 3.29Å; G50-A379 PolarHBondContact N-O 3.17Å; G50-F380 CarbonylContact O-C 3.58Å; G50-F380 WeakPolarHBondContact O-CA 3.45Å; G50-V381 PolarHBondContact O-N 3.07Å; G50-M408 WeakPolarHBondContact O-CE 3.49Å
51	C	99	Very high	86.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	126.6	178.2	-63.7	0	0	0	0	111.8	C76 Y78 I79 F80 V381 L384	C51-C76 HydrophobicContact CB-CB 3.75Å; C51-C76 WeakPolarHBondContact CB-SG 3.3Å; C51-C76 WeakPolarHBondContact SG-CB 3.16Å; C51-C76 CovalentContact SG-SG 2Å; C51-C76 PolarHBondContact SG-SG 3.43Å; C51-Y78 PolarHBondContact N-O 3.46Å; C51-I79 CarbonylContact O-C 3.26Å; C51-I79 VanDerWaalsContact O-CA 3.28Å; C51-I79 WeakPolarHBondContact O-CA 3.34Å; C51-F80 PolarHBondContact O-N 3Å; C51-V381 HydrophobicContact CB-CG2 3.83Å; C51-V381 VanDerWaalsContact SG-CG2 3.51Å; C51-L384 HydrophobicContact CB-CD1 4.21Å; C51-L384 HydrophobicContact CB-CD2 3.84Å; C51-L384 HydrophobicContact CB-CG 3.86Å
52	Y	98.9	Very high	89.4	Confident	1 Å²	1	41.9 Å²	41.9	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.5	171.6	-76.4	-95.6	0	0	0	111.1	F80 A82 D163 D165 N230 F380 V381 W382 L384	Y52-F80 CarbonylContact C-O 3.44Å; Y52-F80 WeakPolarHBondContact CA-O 3.39Å; Y52-F80 HydrophobicContact CD1-CB 3.45Å; Y52-F80 VanDerWaalsContact CD1-CB 3.45Å; Y52-F80 HydrophobicContact CD1-CG 4.37Å; Y52-F80 HydrophobicContact CD2-CB 4.24Å; Y52-F80 HydrophobicContact CD2-CD2 4.05Å; Y52-F80 HydrophobicContact CD2-CG 4.47Å; Y52-F80 HydrophobicContact CE1-CB 3.44Å; Y52-F80 VanDerWaalsContact CE1-CB 3.44Å; Y52-F80 HydrophobicContact CE1-CG 4.05Å; Y52-F80 HydrophobicContact CE2-CB 4.21Å; Y52-F80 AromaticContact CE2-CD2 3.84Å; Y52-F80 HydrophobicContact CE2-CD2 3.84Å; Y52-F80 HydrophobicContact CE2-CG 4.14Å; Y52-F80 HydrophobicContact CG-CB 3.88Å; Y52-F80 HydrophobicContact CG-CD2 4.49Å; Y52-F80 AromaticContact CZ-CG 3.93Å; Y52-A82 HydrophobicContact CD1-CB 4.17Å; Y52-D163 WeakPolarHBondContact CE1-OD2 3.3Å; Y52-D163 PolarHBondContact OH-OD2 2.93Å; Y52-D165 WeakPolarHBondContact CE1-OD2 3.46Å; Y52-N230 PolarHBondContact OH-ND2 2.93Å; Y52-F380 AromaticContact CD2-CD2 3.69Å; Y52-F380 HydrophobicContact CD2-CD2 3.69Å; Y52-F380 HydrophobicContact CD2-CE2 4.03Å; Y52-F380 AromaticContact CE2-CD2 3.41Å; Y52-F380 HydrophobicContact CE2-CD2 3.41Å; Y52-F380 VanDerWaalsContact CE2-CD2 3.41Å; Y52-F380 AromaticContact CE2-CE2 3.58Å; Y52-F380 HydrophobicContact CE2-CE2 3.58Å; Y52-F380 HydrophobicContact CE2-CG 4.29Å; Y52-V381 PolarHBondContact N-O 3.04Å; Y52-W382 AromaticContact CD1-CE3 3.76Å; Y52-W382 HydrophobicContact CD1-CE3 3.76Å; Y52-W382 AromaticContact CD1-CZ3 3.53Å; Y52-W382 HydrophobicContact CD1-CZ3 3.53Å; Y52-W382 AromaticContact CD2-CE3 3.91Å; Y52-W382 HydrophobicContact CD2-CE3 3.91Å; Y52-W382 HydrophobicContact CE1-CE3 4.44Å; Y52-W382 HydrophobicContact CE1-CZ3 4.2Å; Y52-W382 AromaticContact CG-CE3 3.45Å; Y52-W382 HydrophobicContact CG-CE3 3.45Å; Y52-W382 VanDerWaalsContact CG-CE3 3.45Å; Y52-W382 AromaticContact CG-CZ3 3.72Å; Y52-W382 HydrophobicContact CG-CZ3 3.72Å; Y52-L384 PolarHBondContact O-N 3.07Å
53	F	98.9	Very high	92.2	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131	164.8	172.5	-85.7	0	0	0	108.2	N55 Y66 P68 I79 F80 Y81 A82 V107 L384	F53-N55 HydrophobicContact CE1-CB 4.4Å; F53-Y66 HydrophobicContact CD2-CD1 4.13Å; F53-Y66 AromaticContact CD2-CE1 3.67Å; F53-Y66 HydrophobicContact CD2-CE1 3.67Å; F53-Y66 AromaticContact CE2-CD1 3.77Å; F53-Y66 HydrophobicContact CE2-CD1 3.77Å; F53-Y66 AromaticContact CE2-CE1 3.64Å; F53-Y66 HydrophobicContact CE2-CE1 3.64Å; F53-P68 HydrophobicContact CE2-CB 4.41Å; F53-P68 HydrophobicContact CE2-CG 3.86Å; F53-P68 HydrophobicContact CZ-CG 3.84Å; F53-I79 HydrophobicContact CB-CG2 3.95Å; F53-F80 PolarHBondContact N-O 3.19Å; F53-Y81 AromaticContact CD1-CD2 3.67Å; F53-Y81 HydrophobicContact CD1-CD2 3.67Å; F53-Y81 HydrophobicContact CD1-CE1 4.45Å; F53-Y81 AromaticContact CD1-CE2 3.5Å; F53-Y81 HydrophobicContact CD1-CE2 3.5Å; F53-Y81 HydrophobicContact CD1-CG 4.24Å; F53-Y81 AromaticContact CD1-CZ 3.9Å; F53-Y81 HydrophobicContact CE1-CD2 4.11Å; F53-Y81 HydrophobicContact CE1-CE1 4.48Å; F53-Y81 AromaticContact CE1-CE2 3.44Å; F53-Y81 HydrophobicContact CE1-CE2 3.44Å; F53-Y81 VanDerWaalsContact CE1-CE2 3.44Å; F53-Y81 AromaticContact CE1-CZ 3.64Å; F53-Y81 HydrophobicContact CZ-CE2 4.47Å; F53-A82 WeakPolarHBondContact O-CB 3.31Å; F53-A82 PolarHBondContact O-N 3.43Å; F53-V107 HydrophobicContact CD1-CG2 4.33Å; F53-V107 HydrophobicContact CD2-CG2 4.23Å; F53-V107 HydrophobicContact CE1-CG2 4.34Å; F53-V107 HydrophobicContact CE2-CG2 4.22Å; F53-V107 HydrophobicContact CG-CG2 4.29Å; F53-V107 HydrophobicContact CZ-CG2 4.29Å; F53-L384 HydrophobicContact CB-CD1 4.03Å
54	T	98.8	Very high	94.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.1	178.6	66.6	0	0	0	0	112.4	W56 A57 A82 W382 T383 D385	T54-W56 VanDerWaalsContact CB-CZ2 3.47Å; T54-W56 HydrophobicContact CG2-CH2 3.36Å; T54-W56 HydrophobicContact CG2-CZ2 3.36Å; T54-W56 HydrophobicContact CG2-CZ3 4Å; T54-W56 PolarHBondContact O-N 3.32Å; T54-A57 PolarHBondContact O-N 2.64Å; T54-A57 WeakPolarHBondContact OG1-CB 3.29Å; T54-A82 WeakPolarHBondContact CA-O 3.45Å; T54-A82 HydrophobicContact CG2-CB 4.37Å; T54-W382 HydrophobicContact CG2-CH2 4.08Å; T54-W382 HydrophobicContact CG2-CZ2 4.21Å; T54-T383 HydrophobicContact CG2-CG2 3.56Å; T54-D385 VanDerWaalsContact OG1-CG 3.25Å; T54-D385 PolarHBondContact OG1-OD1 2.03Å; T54-D385 PolarHBondContact OG1-OD2 2.99Å
55	N	98	Very high	96.4	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.011	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-11.8	-175.5	64.8	-3.3	0	0	0	114.4	F53 Q58 Y81 A82 F83 E96 D99 L103	F53-N55 HydrophobicContact CE1-CB 4.4Å; N55-Q58 VanDerWaalsContact O-CG 3.3Å; N55-Q58 WeakPolarHBondContact O-CG 3.24Å; N55-Q58 PolarHBondContact O-NE2 3.16Å; N55-Y81 HydrophobicContact CB-CE1 3.68Å; N55-Y81 VanDerWaalsContact CB-OH 3.27Å; N55-Y81 WeakPolarHBondContact CB-OH 3.43Å; N55-A82 PolarHBondContact N-O 2.71Å; N55-A82 PolarHBondContact OD1-O 3.07Å; N55-F83 PolarHBondContact ND2-O 2.87Å; N55-E96 HydrophobicContact CB-CG 3.95Å; N55-E96 WeakPolarHBondContact ND2-CG 3.4Å; N55-D99 PolarHBondContact ND2-OD1 2.81Å; N55-D99 PolarHBondContact ND2-OD2 3.43Å; N55-L103 HydrophobicContact CB-CD1 4.1Å
56	W	97.3	Very high	97.6	Very high	82 Å²	82	35.2 Å²	35.2	31%	0.311	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-12.3	173.1	62.9	92.7	0	0	0	113.8	T54 Q58 Y59 A82 F83 W382	T54-W56 VanDerWaalsContact CB-CZ2 3.47Å; T54-W56 HydrophobicContact CG2-CH2 3.36Å; T54-W56 HydrophobicContact CG2-CZ2 3.36Å; T54-W56 HydrophobicContact CG2-CZ3 4Å; T54-W56 PolarHBondContact O-N 3.32Å; W56-Q58 PolarHBondContact O-N 2.9Å; W56-Q58 VanDerWaalsContact O-N 3.13Å; W56-Y59 HydrophobicContact CB-CD2 4.23Å; W56-Y59 WeakPolarHBondContact O-CB 3.38Å; W56-Y59 WeakPolarHBondContact O-CD2 3.35Å; W56-Y59 PolarHBondContact O-N 2.92Å; W56-A82 HydrophobicContact CH2-CB 4.38Å; W56-A82 HydrophobicContact CZ3-CB 4.33Å; W56-F83 HydrophobicContact CH2-CD2 4.15Å; W56-F83 AromaticContact CH2-CE2 3.84Å; W56-F83 HydrophobicContact CH2-CE2 3.84Å; W56-F83 AromaticContact CZ3-CD2 3.82Å; W56-F83 HydrophobicContact CZ3-CD2 3.82Å; W56-F83 HydrophobicContact CZ3-CE2 4.02Å; W56-W382 AromaticContact CH2-CH2 3.79Å; W56-W382 HydrophobicContact CH2-CH2 3.79Å; W56-W382 AromaticContact CH2-CZ2 3.95Å; W56-W382 HydrophobicContact CH2-CZ2 3.95Å; W56-W382 HydrophobicContact CZ2-CH2 4.26Å; W56-W382 AromaticContact CZ2-CZ2 3.95Å; W56-W382 HydrophobicContact CZ2-CZ2 3.95Å
57	A	98.2	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-65.9	-16.3	179.5	0	0	0	0	0	113.2	T54 Y59 R60 Y66 D385	T54-A57 PolarHBondContact O-N 2.64Å; T54-A57 WeakPolarHBondContact OG1-CB 3.29Å; A57-Y59 PolarHBondContact O-N 2.69Å; A57-R60 PolarHBondContact O-N 3.32Å; A57-Y66 PolarHBondContact O-N 3.35Å; A57-D385 HydrophobicContact CB-CB 3.7Å
58	Q	97.8	Very high	98.1	Very high	16 Å²	16	30 Å²	30	8%	0.075	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-61.4	-17.6	170.8	70.8	178	-51.3	0	0	113.7	N55 W56 K65 Y66 N98	N55-Q58 VanDerWaalsContact O-CG 3.3Å; N55-Q58 WeakPolarHBondContact O-CG 3.24Å; N55-Q58 PolarHBondContact O-NE2 3.16Å; W56-Q58 PolarHBondContact O-N 2.9Å; W56-Q58 VanDerWaalsContact O-N 3.13Å; Q58-K65 WeakPolarHBondContact O-CD 3.32Å; Q58-K65 WeakPolarHBondContact O-CE 3.33Å; Q58-K65 PolarHBondContact O-NZ 3.39Å; Q58-Y66 WeakPolarHBondContact CA-O 3.35Å; Q58-Y66 PolarHBondContact N-O 2.86Å; Q58-N98 PolarHBondContact NE2-OD1 2.92Å; Q58-N98 VanDerWaalsContact NE2-OD1 3.11Å; Q58-N98 PolarHBondContact OE1-ND2 3.36Å
59	Y	96.8	Very high	98.1	Very high	117 Å²	117	34.5 Å²	34.5	46%	0.459	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-97.7	-5.4	-177.4	-56.8	-53.4	0	0	0	114.2	W56 A57 E96 W97	W56-Y59 HydrophobicContact CB-CD2 4.23Å; W56-Y59 WeakPolarHBondContact O-CB 3.38Å; W56-Y59 WeakPolarHBondContact O-CD2 3.35Å; W56-Y59 PolarHBondContact O-N 2.92Å; A57-Y59 PolarHBondContact O-N 2.69Å; Y59-E96 WeakPolarHBondContact CE2-OE2 3.44Å; Y59-E96 PolarHBondContact OH-OE2 3.49Å; Y59-W97 PolarHBondContact OH-NE1 3.37Å
60	R	96.9	Very high	98.1	Very high	19 Å²	19	36 Å²	36	7%	0.072	18%	0.179	C	C	.	.	S	Bend	trans	-64.8	146.3	176.5	-68.2	-169.9	-168.9	128.3	10.6	110.9	A57 G64 K65 L317 D385	A57-R60 PolarHBondContact O-N 3.32Å; R60-G64 VanDerWaalsContact CB-C 3.47Å; R60-G64 VanDerWaalsContact CB-O 3.28Å; R60-G64 WeakPolarHBondContact CB-O 3.35Å; R60-G64 WeakPolarHBondContact CD-O 3.38Å; R60-K65 WeakPolarHBondContact O-CB 3.42Å; R60-L317 VanDerWaalsContact NE-CD2 3.31Å; R60-D385 IonicContact CZ-OD2 2.69Å; R60-D385 VanDerWaalsContact NH1-CB 3.27Å; R60-D385 VanDerWaalsContact NH1-CG 3.31Å; R60-D385 PolarHBondContact NH1-O 2.93Å; R60-D385 IonicContact NH1-OD2 2.73Å; R60-D385 PolarHBondContact NH1-OD2 2.88Å; R60-D385 IonicContact NH2-OD2 3.19Å; R60-D385 PolarHBondContact NH2-OD2 3.12Å
61	P	96.3	Very high	98.1	Very high	32 Å²	32	36.6 Å²	36.6	21%	0.208	18%	0.181	C	C	.	.			trans	-72.7	154.5	-179.5	33	-38.7	0	0	0	111.9	K63 G64 Y316	P61-K63 PolarHBondContact O-N 3.48Å; P61-G64 PolarHBondContact O-N 3.49Å; P61-Y316 HydrophobicContact CG-CD1 4.1Å; P61-Y316 VanDerWaalsContact O-CD1 3.26Å; P61-Y316 WeakPolarHBondContact O-CD1 3.24Å; P61-Y316 WeakPolarHBondContact O-CE1 3.37Å
62	G	97.7	Very high	98	Very high	68 Å²	68	40.1 Å²	40.1	70%	0.701	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	50.5	-131.3	167.3	0	0	0	0	0	113.7	G64 K65	G62-G64 PolarHBondContact O-N 3.23Å; G62-K65 WeakPolarHBondContact O-CB 3.47Å; G62-K65 PolarHBondContact O-N 3.49Å
63	K	98.2	Very high	97.9	Very high	116 Å²	116	41.6 Å²	41.6	50%	0.504	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-71	-9.7	-178.6	-71.8	-176	174.3	-171.1	0	114.7	P61 K65 Y316 F389 L390 F393	P61-K63 PolarHBondContact O-N 3.48Å; K63-K65 VanDerWaalsContact C-N 3.34Å; K63-Y316 HydrophobicContact CB-CE1 4.48Å; K63-F389 WeakPolarHBondContact O-CZ 3.38Å; K63-L390 HydrophobicContact CB-CD1 4Å; K63-L390 HydrophobicContact CG-CD1 4.32Å; K63-L390 WeakPolarHBondContact O-CD1 3.46Å; K63-F393 HydrophobicContact CB-CE1 4.3Å; K63-F393 HydrophobicContact CB-CE2 3.81Å; K63-F393 HydrophobicContact CB-CZ 3.37Å; K63-F393 HydrophobicContact CD-CZ 4.34Å
64	G	98.2	Very high	97.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-83.7	-11	174.6	0	0	0	0	0	113.3	R60 P61 G62 Y66	R60-G64 VanDerWaalsContact CB-C 3.47Å; R60-G64 VanDerWaalsContact CB-O 3.28Å; R60-G64 WeakPolarHBondContact CB-O 3.35Å; R60-G64 WeakPolarHBondContact CD-O 3.38Å; P61-G64 PolarHBondContact O-N 3.49Å; G62-G64 PolarHBondContact O-N 3.23Å; G64-Y66 PolarHBondContact O-N 3.43Å
65	K	98.7	Very high	97.7	Very high	87 Å²	87	43.7 Å²	43.7	38%	0.378	22%	0.222	S	C	.	.			trans	-60.5	122.3	174.6	-178.6	162.9	176.7	141.9	0	110.3	Q58 R60 G62 K63 N67 H70 F389	Q58-K65 WeakPolarHBondContact O-CD 3.32Å; Q58-K65 WeakPolarHBondContact O-CE 3.33Å; Q58-K65 PolarHBondContact O-NZ 3.39Å; R60-K65 WeakPolarHBondContact O-CB 3.42Å; G62-K65 WeakPolarHBondContact O-CB 3.47Å; G62-K65 PolarHBondContact O-N 3.49Å; K63-K65 VanDerWaalsContact C-N 3.34Å; K65-N67 WeakPolarHBondContact CE-OD1 3.13Å; K65-H70 PolarHBondContact O-CE1 3.19Å; K65-F389 WeakPolarHBondContact O-CZ 3.32Å
66	Y	98.8	Very high	97.7	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	22%	0.221	C	C	.	.			trans	-109.6	129.7	176.7	-168.2	-84.4	0	0	0	110.8	F53 A57 Q58 G64 H70 L384 D385 F389 Y402	F53-Y66 HydrophobicContact CD2-CD1 4.13Å; F53-Y66 AromaticContact CD2-CE1 3.67Å; F53-Y66 HydrophobicContact CD2-CE1 3.67Å; F53-Y66 AromaticContact CE2-CD1 3.77Å; F53-Y66 HydrophobicContact CE2-CD1 3.77Å; F53-Y66 AromaticContact CE2-CE1 3.64Å; F53-Y66 HydrophobicContact CE2-CE1 3.64Å; A57-Y66 PolarHBondContact O-N 3.35Å; Q58-Y66 WeakPolarHBondContact CA-O 3.35Å; Q58-Y66 PolarHBondContact N-O 2.86Å; G64-Y66 PolarHBondContact O-N 3.43Å; Y66-H70 HydrophobicContact CD2-CB 4.18Å; Y66-H70 HydrophobicContact CE2-CB 3.81Å; Y66-L384 HydrophobicContact CE1-CB 4.36Å; Y66-L384 HydrophobicContact CE2-CB 4.17Å; Y66-D385 HydrophobicContact CD1-CB 4.12Å; Y66-D385 HydrophobicContact CD2-CB 3.72Å; Y66-D385 HydrophobicContact CE2-CB 4.43Å; Y66-D385 HydrophobicContact CG-CB 3.54Å; Y66-F389 HydrophobicContact CD2-CB 4.18Å; Y66-F389 AromaticContact CD2-CD1 3.67Å; Y66-F389 HydrophobicContact CD2-CD1 3.67Å; Y66-F389 AromaticContact CD2-CD2 3.63Å; Y66-F389 HydrophobicContact CD2-CD2 3.63Å; Y66-F389 AromaticContact CD2-CE1 3.89Å; Y66-F389 HydrophobicContact CD2-CE1 3.89Å; Y66-F389 AromaticContact CD2-CE2 3.83Å; Y66-F389 HydrophobicContact CD2-CE2 3.83Å; Y66-F389 AromaticContact CD2-CG 3.57Å; Y66-F389 HydrophobicContact CD2-CG 3.57Å; Y66-F389 AromaticContact CD2-CZ 3.97Å; Y66-F389 HydrophobicContact CD2-CZ 3.97Å; Y66-F389 HydrophobicContact CE2-CB 3.85Å; Y66-F389 HydrophobicContact CE2-CD1 4.19Å; Y66-F389 AromaticContact CE2-CD2 3.99Å; Y66-F389 HydrophobicContact CE2-CD2 3.99Å; Y66-F389 AromaticContact CE2-CG 3.77Å; Y66-F389 HydrophobicContact CE2-CG 3.77Å; Y66-Y402 HydrophobicContact CE2-CE1 4.3Å; Y66-Y402 VanDerWaalsContact CE2-OH 3.31Å; Y66-Y402 WeakPolarHBondContact CE2-OH 3.47Å; Y66-Y402 PolarHBondContact OH-OH 2.8Å
67	N	98	Very high	97.7	Very high	36 Å²	36	40.6 Å²	40.6	19%	0.193	21%	0.211	C	C	.	.			trans	-124.3	159.3	174.5	-58.5	-29.7	0	0	0	109.4	K65 E69 H70	K65-N67 WeakPolarHBondContact CE-OD1 3.13Å; N67-E69 HydrophobicContact CB-CG 4.36Å; N67-E69 WeakPolarHBondContact CB-OE1 3.17Å; N67-E69 WeakPolarHBondContact CB-OE2 3.48Å; N67-E69 PolarHBondContact ND2-OE1 2.82Å; N67-E69 PolarHBondContact O-N 3.26Å; N67-E69 VanDerWaalsContact O-N 3.14Å; N67-H70 PolarHBondContact N-ND1 3.4Å; N67-H70 WeakPolarHBondContact O-CB 3.49Å; N67-H70 PolarHBondContact O-N 3Å
68	P	98.4	Very high	97.7	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.039	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-55.1	-32	-179	-29	37.9	0	0	0	115.2	F53 H70 Y71 L103 A106 V107 Q110	F53-P68 HydrophobicContact CE2-CB 4.41Å; F53-P68 HydrophobicContact CE2-CG 3.86Å; F53-P68 HydrophobicContact CZ-CG 3.84Å; P68-H70 PolarHBondContact O-N 3.33Å; P68-Y71 VanDerWaalsContact O-CB 3.29Å; P68-Y71 WeakPolarHBondContact O-CB 3.13Å; P68-Y71 PolarHBondContact O-N 3.33Å; P68-Y71 VanDerWaalsContact O-N 3.11Å; P68-L103 HydrophobicContact CG-CD2 4Å; P68-A106 HydrophobicContact CB-CB 3.75Å; P68-A106 HydrophobicContact CG-CB 3.79Å; P68-V107 HydrophobicContact CB-CG2 3.83Å; P68-V107 HydrophobicContact CG-CG2 3.83Å; P68-Q110 PolarHBondContact O-NE2 3.2Å
69	E	97.2	Very high	97.8	Very high	114 Å²	114	41.3 Å²	41.3	53%	0.533	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-68.3	-12.2	178	67.2	-84.9	-168.7	0	0	114.6	N67 Y71	N67-E69 HydrophobicContact CB-CG 4.36Å; N67-E69 WeakPolarHBondContact CB-OE1 3.17Å; N67-E69 WeakPolarHBondContact CB-OE2 3.48Å; N67-E69 PolarHBondContact ND2-OE1 2.82Å; N67-E69 PolarHBondContact O-N 3.26Å; N67-E69 VanDerWaalsContact O-N 3.14Å; E69-Y71 VanDerWaalsContact C-N 3.25Å
70	H	98.5	Very high	97.9	Very high	52 Å²	52	35.7 Å²	35.7	24%	0.241	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-74.8	-18	171.5	-63.8	149.3	0	0	0	112.4	K65 Y66 N67 P68 Q72 F389 Y402	K65-H70 PolarHBondContact O-CE1 3.19Å; Y66-H70 HydrophobicContact CD2-CB 4.18Å; Y66-H70 HydrophobicContact CE2-CB 3.81Å; N67-H70 PolarHBondContact N-ND1 3.4Å; N67-H70 WeakPolarHBondContact O-CB 3.49Å; N67-H70 PolarHBondContact O-N 3Å; P68-H70 PolarHBondContact O-N 3.33Å; H70-Q72 PolarHBondContact O-N 3.24Å; H70-F389 HydrophobicContact CB-CD2 4.01Å; H70-F389 AromaticContact CE1-CE2 3.88Å; H70-F389 AromaticContact CG-CD2 3.95Å; H70-F389 AromaticContact ND1-CD2 3.78Å; H70-F389 AromaticContact ND1-CE2 3.46Å; H70-F389 WeakPolarHBondContact ND1-CE2 3.42Å; H70-Y402 WeakPolarHBondContact O-CE2 3.43Å; H70-Y402 PolarHBondContact O-OH 2.78Å
71	Y	98.7	Very high	98	Very high	13 Å²	13	34.8 Å²	34.8	5%	0.051	19%	0.188	C	C	.	.			trans	-56.4	138.4	176.7	178.5	-102.7	0	0	0	111.1	P68 E69 L75 C76 I79 Q110 Q114 L117 L384	P68-Y71 VanDerWaalsContact O-CB 3.29Å; P68-Y71 WeakPolarHBondContact O-CB 3.13Å; P68-Y71 PolarHBondContact O-N 3.33Å; P68-Y71 VanDerWaalsContact O-N 3.11Å; E69-Y71 VanDerWaalsContact C-N 3.25Å; Y71-L75 HydrophobicContact CE2-CB 3.98Å; Y71-C76 PolarHBondContact OH-N 3.48Å; Y71-C76 PolarHBondContact OH-O 2.98Å; Y71-I79 HydrophobicContact CD2-CD1 3.86Å; Y71-I79 HydrophobicContact CE1-CD1 4.41Å; Y71-I79 HydrophobicContact CE2-CD1 3.71Å; Y71-I79 HydrophobicContact CE2-CG1 4.25Å; Y71-I79 HydrophobicContact CG-CD1 4.28Å; Y71-Q110 HydrophobicContact CD1-CB 3.7Å; Y71-Q110 HydrophobicContact CD1-CG 3.67Å; Y71-Q110 HydrophobicContact CE1-CB 4.08Å; Y71-Q110 HydrophobicContact CG-CG 4.16Å; Y71-Q114 PolarHBondContact OH-OE1 3.02Å; Y71-L117 HydrophobicContact CE1-CD2 4.19Å; Y71-L384 HydrophobicContact CD2-CD1 4.41Å; Y71-L384 HydrophobicContact CD2-CD2 4.27Å
72	Q	98.1	Very high	98.1	Very high	74 Å²	74	33.3 Å²	33.3	35%	0.346	18%	0.178	S	C	.	.			trans	-105.8	131.3	175.6	-171.3	174.5	-69.9	0	0	109.9	H70 L75 Y402	H70-Q72 PolarHBondContact O-N 3.24Å; Q72-L75 WeakPolarHBondContact O-CB 3.29Å; Q72-L75 PolarHBondContact O-N 3.11Å; Q72-Y402 HydrophobicContact CB-CD2 4.11Å; Q72-Y402 HydrophobicContact CB-CE2 3.95Å
73	A	96.9	Very high	98.1	Very high	32 Å²	32	31.1 Å²	31.1	26%	0.264	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	144.6	178.3	0	0	0	0	0	111.9	L75 Q114	A73-L75 PolarHBondContact O-N 2.97Å; A73-Q114 HydrophobicContact CB-CB 4.34Å
74	N	96.1	Very high	98.1	Very high	47 Å²	47	25.8 Å²	25.8	25%	0.251	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	1.8	-178.4	-52.2	-58.1	0	0	0	115.7	R49 C76 Q114 Q409	R49-N74 PolarHBondContact NH1-O 3.07Å; N74-C76 VanDerWaalsContact C-N 3.27Å; N74-C76 PolarHBondContact O-N 2.97Å; N74-Q114 VanDerWaalsContact N-CD 3.34Å; N74-Q409 WeakPolarHBondContact O-CG 3.09Å
75	L	96.5	Very high	98.1	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	15%	0.147	C	C	.	.	S	Bend	trans	-60.9	-40.1	178.3	-157.9	74	0	0	0	111.2	R49 Y71 Q72 A73 L384 Y402 I405	R49-L75 PolarHBondContact NH1-O 3.2Å; Y71-L75 HydrophobicContact CE2-CB 3.98Å; Q72-L75 WeakPolarHBondContact O-CB 3.29Å; Q72-L75 PolarHBondContact O-N 3.11Å; A73-L75 PolarHBondContact O-N 2.97Å; L75-L384 HydrophobicContact CD2-CD2 3.83Å; L75-Y402 HydrophobicContact CD1-CD2 4.37Å; L75-Y402 HydrophobicContact CD1-CG 4.18Å; L75-Y402 HydrophobicContact CD2-CD1 3.71Å; L75-Y402 HydrophobicContact CD2-CD2 3.93Å; L75-Y402 HydrophobicContact CD2-CE1 3.96Å; L75-Y402 HydrophobicContact CD2-CE2 4.2Å; L75-Y402 HydrophobicContact CD2-CG 3.66Å; L75-I405 HydrophobicContact CD1-CB 4.47Å; L75-I405 HydrophobicContact CD1-CG2 4.21Å; L75-I405 HydrophobicContact CD2-CB 4.12Å; L75-I405 HydrophobicContact CD2-CG2 3.61Å; L75-I405 HydrophobicContact CG-CB 4.3Å; L75-I405 HydrophobicContact CG-CG2 3.6Å
76	C	98	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.135	C	C	.	.			trans	-138.1	147.9	-176	-31.9	0	0	0	0	110.3	R49 C51 Y71 N74 Q114	R49-C76 CarbonylContact O-C 3.56Å; R49-C76 WeakPolarHBondContact O-CA 3.5Å; C51-C76 HydrophobicContact CB-CB 3.75Å; C51-C76 WeakPolarHBondContact CB-SG 3.3Å; C51-C76 WeakPolarHBondContact SG-CB 3.16Å; C51-C76 CovalentContact SG-SG 2Å; C51-C76 PolarHBondContact SG-SG 3.43Å; Y71-C76 PolarHBondContact OH-N 3.48Å; Y71-C76 PolarHBondContact OH-O 2.98Å; N74-C76 VanDerWaalsContact C-N 3.27Å; N74-C76 PolarHBondContact O-N 2.97Å; C76-Q114 PolarHBondContact O-NE2 3.48Å; C76-Q114 PolarHBondContact O-OE1 3.47Å
77	E	97.7	Very high	98.1	Very high	20 Å²	20	28.8 Å²	28.8	9%	0.093	14%	0.143	C	C	.	.	S	Bend	trans	-83.2	-29.5	167.3	-177.3	176.4	-176.5	0	0	110.8	K46 R49 K118	K46-E77 WeakPolarHBondContact CE-OE1 3.43Å; K46-E77 VanDerWaalsContact CE-OE2 3.28Å; K46-E77 WeakPolarHBondContact CE-OE2 3.29Å; K46-E77 IonicContact NZ-OE1 2.66Å; K46-E77 PolarHBondContact NZ-OE1 3.06Å; K46-E77 IonicContact NZ-OE2 3.21Å; R49-E77 PolarHBondContact O-N 3.43Å; E77-K118 PolarHBondContact O-N 2.94Å
78	Y	98.8	Very high	98.1	Very high	27 Å²	27	33.7 Å²	33.7	11%	0.106	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.8	-179.4	-52.9	-93.5	0	0	0	110.2	V48 R49 G50 C51 K118 L120 L201 F228	V48-Y78 HydrophobicContact CB-CE2 4.32Å; V48-Y78 HydrophobicContact CG1-CD2 3.72Å; V48-Y78 HydrophobicContact CG1-CE2 3.77Å; V48-Y78 HydrophobicContact CG2-CE2 4.1Å; R49-Y78 PolarHBondContact O-N 2.98Å; R49-Y78 VanDerWaalsContact O-N 3.12Å; G50-Y78 CarbonylContact C-O 3.56Å; G50-Y78 WeakPolarHBondContact CA-O 3.29Å; C51-Y78 PolarHBondContact N-O 3.46Å; Y78-K118 CarbonylContact C-O 3.6Å; Y78-K118 VanDerWaalsContact CA-O 3.31Å; Y78-K118 WeakPolarHBondContact CA-O 3.35Å; Y78-K118 HydrophobicContact CD1-CB 3.81Å; Y78-K118 HydrophobicContact CD1-CG 4.31Å; Y78-K118 HydrophobicContact CE1-CB 4.19Å; Y78-K118 HydrophobicContact CE1-CG 4.19Å; Y78-L120 HydrophobicContact CD1-CD1 3.93Å; Y78-L201 HydrophobicContact CD1-CD1 4.09Å; Y78-L201 HydrophobicContact CE1-CD1 3.68Å; Y78-F228 HydrophobicContact CD1-CZ 4.26Å; Y78-F228 HydrophobicContact CD2-CZ 4.5Å; Y78-F228 HydrophobicContact CE1-CE1 4.16Å; Y78-F228 HydrophobicContact CE1-CZ 4.37Å; Y78-F228 HydrophobicContact CE2-CE1 4.5Å; Y78-F228 HydrophobicContact CG-CZ 4.33Å
79	I	98.9	Very high	98.1	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.1	163.6	-71.4	170.9	0	0	0	108.4	C51 F53 Y71 V107 L117 K118 V119 L120	C51-I79 CarbonylContact O-C 3.26Å; C51-I79 VanDerWaalsContact O-CA 3.28Å; C51-I79 WeakPolarHBondContact O-CA 3.34Å; F53-I79 HydrophobicContact CB-CG2 3.95Å; Y71-I79 HydrophobicContact CD2-CD1 3.86Å; Y71-I79 HydrophobicContact CE1-CD1 4.41Å; Y71-I79 HydrophobicContact CE2-CD1 3.71Å; Y71-I79 HydrophobicContact CE2-CG1 4.25Å; Y71-I79 HydrophobicContact CG-CD1 4.28Å; I79-V107 HydrophobicContact CD1-CG1 4.36Å; I79-V107 HydrophobicContact CG2-CG1 4.05Å; I79-L117 HydrophobicContact CD1-CD1 4.01Å; I79-L117 HydrophobicContact CD1-CD2 4Å; I79-L117 HydrophobicContact CG1-CD1 3.98Å; I79-K118 PolarHBondContact N-O 3.44Å; I79-V119 HydrophobicContact CB-CG2 4.43Å; I79-V119 HydrophobicContact CG2-CG1 4.41Å; I79-V119 CarbonylContact O-C 3.53Å; I79-V119 WeakPolarHBondContact O-CA 3.47Å; I79-L120 PolarHBondContact O-N 3Å
80	F	99	Very high	98.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114	172.3	-56.3	-80.8	0	0	0	108.2	C51 Y52 F53 A82 L120 S122 D163 F228 N230	C51-F80 PolarHBondContact O-N 3Å; Y52-F80 CarbonylContact C-O 3.44Å; Y52-F80 WeakPolarHBondContact CA-O 3.39Å; Y52-F80 HydrophobicContact CD1-CB 3.45Å; Y52-F80 VanDerWaalsContact CD1-CB 3.45Å; Y52-F80 HydrophobicContact CD1-CG 4.37Å; Y52-F80 HydrophobicContact CD2-CB 4.24Å; Y52-F80 HydrophobicContact CD2-CD2 4.05Å; Y52-F80 HydrophobicContact CD2-CG 4.47Å; Y52-F80 HydrophobicContact CE1-CB 3.44Å; Y52-F80 VanDerWaalsContact CE1-CB 3.44Å; Y52-F80 HydrophobicContact CE1-CG 4.05Å; Y52-F80 HydrophobicContact CE2-CB 4.21Å; Y52-F80 AromaticContact CE2-CD2 3.84Å; Y52-F80 HydrophobicContact CE2-CD2 3.84Å; Y52-F80 HydrophobicContact CE2-CG 4.14Å; Y52-F80 HydrophobicContact CG-CB 3.88Å; Y52-F80 HydrophobicContact CG-CD2 4.49Å; Y52-F80 AromaticContact CZ-CG 3.93Å; F53-F80 PolarHBondContact N-O 3.19Å; F80-A82 PolarHBondContact O-N 2.92Å; F80-L120 HydrophobicContact CD1-CB 4.03Å; F80-L120 HydrophobicContact CD1-CD2 4.46Å; F80-L120 HydrophobicContact CE1-CB 4.42Å; F80-L120 HydrophobicContact CE1-CD1 4.43Å; F80-L120 HydrophobicContact CE1-CD2 4.07Å; F80-S122 WeakPolarHBondContact CB-OG 3.42Å; F80-D163 HydrophobicContact CD1-CB 3.84Å; F80-D163 HydrophobicContact CE1-CB 4.39Å; F80-F228 HydrophobicContact CE1-CE2 4.3Å; F80-F228 HydrophobicContact CE1-CZ 4.43Å; F80-F228 AromaticContact CZ-CE2 3.78Å; F80-F228 HydrophobicContact CZ-CE2 3.78Å; F80-F228 AromaticContact CZ-CZ 3.96Å; F80-F228 HydrophobicContact CZ-CZ 3.96Å; F80-N230 WeakPolarHBondContact CE1-ND2 3.37Å; F80-N230 WeakPolarHBondContact CE2-ND2 3.47Å; F80-N230 VanDerWaalsContact CZ-ND2 3.26Å; F80-N230 WeakPolarHBondContact CZ-ND2 3.47Å
81	Y	98.9	Very high	98.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	109.9	179.5	-166.3	-69.2	0	0	0	109.2	F53 N55 D99 L103 Y104 V107 L120 L121 S122 F159	F53-Y81 AromaticContact CD1-CD2 3.67Å; F53-Y81 HydrophobicContact CD1-CD2 3.67Å; F53-Y81 HydrophobicContact CD1-CE1 4.45Å; F53-Y81 AromaticContact CD1-CE2 3.5Å; F53-Y81 HydrophobicContact CD1-CE2 3.5Å; F53-Y81 HydrophobicContact CD1-CG 4.24Å; F53-Y81 AromaticContact CD1-CZ 3.9Å; F53-Y81 HydrophobicContact CE1-CD2 4.11Å; F53-Y81 HydrophobicContact CE1-CE1 4.48Å; F53-Y81 AromaticContact CE1-CE2 3.44Å; F53-Y81 HydrophobicContact CE1-CE2 3.44Å; F53-Y81 VanDerWaalsContact CE1-CE2 3.44Å; F53-Y81 AromaticContact CE1-CZ 3.64Å; F53-Y81 HydrophobicContact CZ-CE2 4.47Å; N55-Y81 HydrophobicContact CB-CE1 3.68Å; N55-Y81 VanDerWaalsContact CB-OH 3.27Å; N55-Y81 WeakPolarHBondContact CB-OH 3.43Å; Y81-D99 PolarHBondContact OH-OD1 3.47Å; Y81-L103 HydrophobicContact CE2-CB 4.19Å; Y81-L103 WeakPolarHBondContact OH-CB 3.28Å; Y81-L103 WeakPolarHBondContact OH-CD1 3.24Å; Y81-Y104 HydrophobicContact CD1-CD1 4.37Å; Y81-Y104 AromaticContact CD1-CE1 3.82Å; Y81-Y104 HydrophobicContact CD1-CE1 3.82Å; Y81-Y104 HydrophobicContact CD2-CD1 4.09Å; Y81-Y104 HydrophobicContact CD2-CE1 4.36Å; Y81-Y104 AromaticContact CE1-CD1 3.99Å; Y81-Y104 HydrophobicContact CE1-CD1 3.99Å; Y81-Y104 AromaticContact CE1-CE1 3.42Å; Y81-Y104 HydrophobicContact CE1-CE1 3.42Å; Y81-Y104 VanDerWaalsContact CE1-CE1 3.42Å; Y81-Y104 AromaticContact CE2-CD1 3.64Å; Y81-Y104 HydrophobicContact CE2-CD1 3.64Å; Y81-Y104 AromaticContact CE2-CE1 3.98Å; Y81-Y104 HydrophobicContact CE2-CE1 3.98Å; Y81-Y104 HydrophobicContact CG-CD1 4.44Å; Y81-Y104 HydrophobicContact CG-CE1 4.3Å; Y81-Y104 AromaticContact CZ-CD1 3.6Å; Y81-Y104 AromaticContact CZ-CE1 3.5Å; Y81-V107 HydrophobicContact CD2-CB 4.5Å; Y81-V107 HydrophobicContact CD2-CG2 4.04Å; Y81-V107 HydrophobicContact CE2-CG2 3.93Å; Y81-L120 PolarHBondContact N-O 3.32Å; Y81-L121 HydrophobicContact CD1-CD1 4.03Å; Y81-L121 HydrophobicContact CG-CD1 4.39Å; Y81-S122 WeakPolarHBondContact O-CA 3.39Å; Y81-S122 WeakPolarHBondContact O-CB 3.41Å; Y81-S122 PolarHBondContact O-N 3.36Å; Y81-S122 PolarHBondContact O-OG 2.92Å; Y81-F159 HydrophobicContact CG-CE1 4.42Å
82	A	98.8	Very high	98.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.5	178.4	0	0	0	0	0	110.4	Y52 F53 T54 N55 W56 F80 W382	Y52-A82 HydrophobicContact CD1-CB 4.17Å; F53-A82 WeakPolarHBondContact O-CB 3.31Å; F53-A82 PolarHBondContact O-N 3.43Å; T54-A82 WeakPolarHBondContact CA-O 3.45Å; T54-A82 HydrophobicContact CG2-CB 4.37Å; N55-A82 PolarHBondContact N-O 2.71Å; N55-A82 PolarHBondContact OD1-O 3.07Å; W56-A82 HydrophobicContact CH2-CB 4.38Å; W56-A82 HydrophobicContact CZ3-CB 4.33Å; F80-A82 PolarHBondContact O-N 2.92Å; A82-W382 HydrophobicContact CB-CH2 4.2Å; A82-W382 HydrophobicContact CB-CZ3 4.14Å
83	F	98.1	Very high	98.2	Very high	22 Å²	22	31.4 Å²	31.4	10%	0.096	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-137.6	159.8	-5.7	-65.3	-76.7	0	0	0	111.2	N55 W56 F95 S122 D165 W382	N55-F83 PolarHBondContact ND2-O 2.87Å; W56-F83 HydrophobicContact CH2-CD2 4.15Å; W56-F83 AromaticContact CH2-CE2 3.84Å; W56-F83 HydrophobicContact CH2-CE2 3.84Å; W56-F83 AromaticContact CZ3-CD2 3.82Å; W56-F83 HydrophobicContact CZ3-CD2 3.82Å; W56-F83 HydrophobicContact CZ3-CE2 4.02Å; F83-F95 WeakPolarHBondContact O-CB 3.46Å; F83-S122 WeakPolarHBondContact CA-O 3.42Å; F83-D165 HydrophobicContact CE1-CB 4.07Å; F83-D165 WeakPolarHBondContact CE1-OD2 3.34Å; F83-W382 AromaticContact CE2-CH2 3.83Å; F83-W382 HydrophobicContact CE2-CH2 3.83Å; F83-W382 HydrophobicContact CE2-CZ3 4.5Å; F83-W382 AromaticContact CZ-CH2 3.68Å; F83-W382 HydrophobicContact CZ-CH2 3.68Å; F83-W382 AromaticContact CZ-CZ3 3.94Å; F83-W382 HydrophobicContact CZ-CZ3 3.94Å
84	A	98.6	Very high	98.2	Very high	5 Å²	5	32 Å²	32	4%	0.041	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	173.3	159.3	0	0	0	0	0	111.6	V92 L121 S122 L123	A84-V92 HydrophobicContact CB-CG1 4.11Å; A84-L121 HydrophobicContact CB-CD1 3.93Å; A84-L121 HydrophobicContact CB-CD2 3.79Å; A84-L121 HydrophobicContact CB-CG 3.83Å; A84-S122 PolarHBondContact N-O 3.12Å; A84-L123 HydrophobicContact CB-CD1 3.8Å; A84-L123 WeakPolarHBondContact O-CD1 3.49Å
85	K	97.6	Very high	98.2	Very high	95 Å²	95	35.6 Å²	35.6	41%	0.413	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.6	172.9	-174.9	178.3	177.1	-172.1	0	111.3	N87 V92 D93 F95	K85-N87 WeakPolarHBondContact CD-OD1 3.49Å; K85-N87 WeakPolarHBondContact CE-OD1 3.28Å; K85-V92 WeakPolarHBondContact O-CA 3.45Å; K85-D93 PolarHBondContact N-O 3.39Å; K85-D93 PolarHBondContact O-N 3.46Å; K85-F95 HydrophobicContact CB-CB 4.33Å; K85-F95 HydrophobicContact CB-CD2 4.08Å; K85-F95 HydrophobicContact CG-CD2 4.46Å
86	L	98.5	Very high	98.1	Very high	25 Å²	25	36.9 Å²	36.9	13%	0.131	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	109.1	166	-178.3	61.2	0	0	0	108.4	L123 T132 F133 M136 F146	L86-L123 HydrophobicContact CB-CD1 3.97Å; L86-L123 HydrophobicContact CB-CD2 4.22Å; L86-L123 HydrophobicContact CB-CG 4.43Å; L86-L123 HydrophobicContact CD1-CD2 4.49Å; L86-T132 HydrophobicContact CD2-CG2 3.73Å; L86-T132 HydrophobicContact CG-CG2 3.75Å; L86-F133 HydrophobicContact CD2-CD1 3.88Å; L86-F133 HydrophobicContact CD2-CE1 3.99Å; L86-F133 HydrophobicContact CD2-CG 4.31Å; L86-M136 HydrophobicContact CD2-CB 4.49Å; L86-F146 HydrophobicContact CD1-CD2 3.68Å; L86-F146 HydrophobicContact CD1-CE2 3.98Å
87	N	98	Very high	98.1	Very high	31 Å²	31	44.9 Å²	44.9	17%	0.166	21%	0.213	C	C	.	.			trans	-72.1	160.1	177.7	-68.2	-40	0	0	0	111.4	K85 D89 F90 T91	K85-N87 WeakPolarHBondContact CD-OD1 3.49Å; K85-N87 WeakPolarHBondContact CE-OD1 3.28Å; N87-D89 WeakPolarHBondContact CB-OD1 3.34Å; N87-D89 PolarHBondContact O-N 2.83Å; N87-D89 VanDerWaalsContact O-N 3.12Å; N87-F90 WeakPolarHBondContact O-CA 3.46Å; N87-F90 PolarHBondContact O-N 2.9Å; N87-T91 PolarHBondContact N-O 3.47Å; N87-T91 PolarHBondContact ND2-OG1 3.33Å; N87-T91 VanDerWaalsContact ND2-OG1 3.16Å
88	D	98.1	Very high	98.1	Very high	139 Å²	139	44.3 Å²	44.3	74%	0.743	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.5	179.9	-70.7	-20.2	0	0	0	113.6	F90	D88-F90 VanDerWaalsContact C-N 3.27Å
89	D	98.5	Very high	98.1	Very high	72 Å²	72	43 Å²	43	39%	0.385	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	7.5	175.3	88.5	-35.7	0	0	0	113	N87 T91 K145	N87-D89 WeakPolarHBondContact CB-OD1 3.34Å; N87-D89 PolarHBondContact O-N 2.83Å; N87-D89 VanDerWaalsContact O-N 3.12Å; D89-T91 VanDerWaalsContact C-N 3.31Å; D89-T91 PolarHBondContact O-N 3.46Å; D89-T91 WeakPolarHBondContact OD1-CB 3.43Å; D89-T91 WeakPolarHBondContact OD1-CG2 3.48Å; D89-T91 PolarHBondContact OD1-N 2.82Å; D89-T91 VanDerWaalsContact OD1-N 3.08Å; D89-T91 PolarHBondContact OD1-OG1 2.95Å; D89-T91 WeakPolarHBondContact OD2-CG2 3.48Å; D89-K145 VanDerWaalsContact CG-NZ 3.34Å; D89-K145 VanDerWaalsContact O-CD 3.32Å; D89-K145 WeakPolarHBondContact O-CD 3.32Å; D89-K145 WeakPolarHBondContact O-CE 3.5Å; D89-K145 PolarHBondContact O-NZ 3.03Å; D89-K145 IonicContact OD2-NZ 3.36Å; D89-K145 PolarHBondContact OD2-NZ 2.87Å
90	F	98.7	Very high	98	Very high	25 Å²	25	45.6 Å²	45.6	11%	0.11	22%	0.218	C	C	.	.	S	Bend	trans	71.3	12	-179.8	-39.3	-47.5	0	0	0	115.7	N87 D88 T132 K135 M136 N142 F146	N87-F90 WeakPolarHBondContact O-CA 3.46Å; N87-F90 PolarHBondContact O-N 2.9Å; D88-F90 VanDerWaalsContact C-N 3.27Å; F90-T132 HydrophobicContact CD1-CG2 4.21Å; F90-T132 HydrophobicContact CE1-CG2 4.34Å; F90-K135 HydrophobicContact CE1-CB 3.78Å; F90-K135 HydrophobicContact CZ-CB 3.83Å; F90-M136 HydrophobicContact CB-CB 4.36Å; F90-M136 HydrophobicContact CB-CG 3.89Å; F90-M136 HydrophobicContact CD1-CB 3.57Å; F90-M136 HydrophobicContact CD1-CG 4.07Å; F90-M136 HydrophobicContact CE1-CB 4.02Å; F90-M136 HydrophobicContact CG-CB 3.97Å; F90-M136 HydrophobicContact CG-CG 4Å; F90-N142 HydrophobicContact CD2-CB 3.74Å; F90-N142 HydrophobicContact CE2-CB 3.77Å; F90-N142 WeakPolarHBondContact CE2-ND2 3.35Å; F90-F146 HydrophobicContact CB-CB 4.29Å; F90-F146 VanDerWaalsContact O-CA 3.25Å; F90-F146 WeakPolarHBondContact O-CA 3.38Å; F90-F146 WeakPolarHBondContact O-CB 3.42Å
91	T	98.9	Very high	98	Very high	35 Å²	35	51.6 Å²	51.6	22%	0.215	25%	0.25	C	S	.	.			trans	-78.9	152.7	169.2	59.9	0	0	0	0	111.8	N87 D89 S149	N87-T91 PolarHBondContact N-O 3.47Å; N87-T91 PolarHBondContact ND2-OG1 3.33Å; N87-T91 VanDerWaalsContact ND2-OG1 3.16Å; D89-T91 VanDerWaalsContact C-N 3.31Å; D89-T91 PolarHBondContact O-N 3.46Å; D89-T91 WeakPolarHBondContact OD1-CB 3.43Å; D89-T91 WeakPolarHBondContact OD1-CG2 3.48Å; D89-T91 PolarHBondContact OD1-N 2.82Å; D89-T91 VanDerWaalsContact OD1-N 3.08Å; D89-T91 PolarHBondContact OD1-OG1 2.95Å; D89-T91 WeakPolarHBondContact OD2-CG2 3.48Å; T91-S149 WeakPolarHBondContact CA-OG 3.44Å
92	V	98.8	Very high	97.9	Very high	9 Å²	9	55.8 Å²	55.8	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.2	174.4	-177.9	0	0	0	0	109.4	A84 K85 F146 S149 L150 F153	A84-V92 HydrophobicContact CB-CG1 4.11Å; K85-V92 WeakPolarHBondContact O-CA 3.45Å; V92-F146 HydrophobicContact CG2-CD2 3.86Å; V92-F146 HydrophobicContact CG2-CE2 3.52Å; V92-S149 PolarHBondContact N-OG 3.19Å; V92-L150 HydrophobicContact CG2-CB 3.96Å; V92-L150 HydrophobicContact CG2-CD1 4.18Å; V92-F153 HydrophobicContact CB-CB 4.37Å; V92-F153 HydrophobicContact CB-CG 4.47Å; V92-F153 HydrophobicContact CG1-CB 4.24Å; V92-F153 HydrophobicContact CG1-CD1 3.98Å; V92-F153 HydrophobicContact CG1-CD2 4.45Å; V92-F153 HydrophobicContact CG1-CE1 4.47Å; V92-F153 HydrophobicContact CG1-CG 3.97Å
93	D	98.4	Very high	97.9	Very high	69 Å²	69	56.1 Å²	56.1	37%	0.369	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	173.6	176.8	-150.8	-17.3	0	0	0	111	K85	K85-D93 PolarHBondContact N-O 3.39Å; K85-D93 PolarHBondContact O-N 3.46Å
94	Q	98.2	Very high	97.9	Very high	46 Å²	46	55.2 Å²	55.2	22%	0.215	27%	0.27	C	S	.	.			trans	-65.4	150.3	169.4	62.8	175	14.1	0	0	112	E96 W97 D99 I100 F153	Q94-E96 VanDerWaalsContact CD-O 3.3Å; Q94-E96 PolarHBondContact OE1-O 2.91Å; Q94-W97 PolarHBondContact NE2-O 3.44Å; Q94-D99 HydrophobicContact CB-CB 3.59Å; Q94-D99 HydrophobicContact CG-CB 4.46Å; Q94-I100 HydrophobicContact CB-CD1 3.99Å; Q94-I100 HydrophobicContact CB-CG1 4.03Å; Q94-I100 HydrophobicContact CG-CD1 3.93Å; Q94-I100 HydrophobicContact CG-CG1 4.33Å; Q94-I100 VanDerWaalsContact OE1-CB 3.27Å; Q94-I100 VanDerWaalsContact OE1-CG1 3.24Å; Q94-F153 HydrophobicContact CB-CZ 4.37Å
95	F	94.6	Very high	97.9	Very high	121 Å²	121	58.1 Å²	58.1	53%	0.531	29%	0.288	S	S	.	.	S	Bend	trans	-93.9	-52	176.8	-168.5	-78.6	0	0	0	110.8	F83 K85 D99	F83-F95 WeakPolarHBondContact O-CB 3.46Å; K85-F95 HydrophobicContact CB-CB 4.33Å; K85-F95 HydrophobicContact CB-CD2 4.08Å; K85-F95 HydrophobicContact CG-CD2 4.46Å; F95-D99 PolarHBondContact N-OD2 3.18Å
96	E	95.6	Very high	98	Very high	30 Å²	30	54.8 Å²	54.8	14%	0.14	28%	0.278	C	S	.	.	S	Bend	trans	-86.7	150.5	176.5	-69.4	-68.1	162.5	0	0	111.1	N55 Y59 Q94 N98 D99	N55-E96 HydrophobicContact CB-CG 3.95Å; N55-E96 WeakPolarHBondContact ND2-CG 3.4Å; Y59-E96 WeakPolarHBondContact CE2-OE2 3.44Å; Y59-E96 PolarHBondContact OH-OE2 3.49Å; Q94-E96 VanDerWaalsContact CD-O 3.3Å; Q94-E96 PolarHBondContact OE1-O 2.91Å; E96-N98 PolarHBondContact O-N 3.1Å; E96-N98 VanDerWaalsContact O-N 3.11Å; E96-D99 PolarHBondContact N-OD2 3.44Å; E96-D99 WeakPolarHBondContact O-CB 3.48Å; E96-D99 PolarHBondContact O-N 2.89Å
97	W	97	Very high	98	Very high	169 Å²	169	53.8 Å²	53.8	64%	0.64	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.9	-177	66.4	-83.2	0	0	0	113.7	Y59 Q94	Y59-W97 PolarHBondContact OH-NE1 3.37Å; Q94-W97 PolarHBondContact NE2-O 3.44Å
98	N	97.7	Very high	98	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.043	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	12.3	-176.3	66	-22.1	0	0	0	114.3	Q58 E96 I102 L103	Q58-N98 PolarHBondContact NE2-OD1 2.92Å; Q58-N98 VanDerWaalsContact NE2-OD1 3.11Å; Q58-N98 PolarHBondContact OE1-ND2 3.36Å; E96-N98 PolarHBondContact O-N 3.1Å; E96-N98 VanDerWaalsContact O-N 3.11Å; N98-I102 HydrophobicContact CB-CB 4.15Å; N98-I102 HydrophobicContact CB-CD1 3.94Å; N98-I102 HydrophobicContact CB-CG1 4.1Å; N98-I102 WeakPolarHBondContact O-CA 3.28Å; N98-I102 WeakPolarHBondContact O-CB 3.46Å; N98-I102 PolarHBondContact O-N 2.94Å; N98-L103 PolarHBondContact O-N 3.32Å
99	D	98.3	Very high	98	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.263	C	S	.	.	I	π-helix	trans	-58.3	-61.1	-179.9	-91.9	-12	0	0	0	111.3	N55 Y81 Q94 F95 E96 L103 Y104	N55-D99 PolarHBondContact ND2-OD1 2.81Å; N55-D99 PolarHBondContact ND2-OD2 3.43Å; Y81-D99 PolarHBondContact OH-OD1 3.47Å; Q94-D99 HydrophobicContact CB-CB 3.59Å; Q94-D99 HydrophobicContact CG-CB 4.46Å; F95-D99 PolarHBondContact N-OD2 3.18Å; E96-D99 PolarHBondContact N-OD2 3.44Å; E96-D99 WeakPolarHBondContact O-CB 3.48Å; E96-D99 PolarHBondContact O-N 2.89Å; D99-L103 PolarHBondContact O-N 3.48Å; D99-Y104 HydrophobicContact CB-CD1 4.12Å; D99-Y104 HydrophobicContact CB-CE1 3.52Å; D99-Y104 HydrophobicContact CB-CE2 4.13Å; D99-Y104 VanDerWaalsContact O-CB 3.29Å; D99-Y104 WeakPolarHBondContact O-CB 3.42Å; D99-Y104 WeakPolarHBondContact O-CD1 3.34Å; D99-Y104 PolarHBondContact O-N 3.01Å; D99-Y104 PolarHBondContact OD2-OH 2.86Å
100	I	98.5	Very high	98	Very high	56 Å²	56	51 Å²	51	29%	0.287	25%	0.25	S	S	.	.	I	π-helix	trans	-65.1	-44.5	-176.4	-69.9	166.3	0	0	0	111.5	Q94 Y104 P105 F153	Q94-I100 HydrophobicContact CB-CD1 3.99Å; Q94-I100 HydrophobicContact CB-CG1 4.03Å; Q94-I100 HydrophobicContact CG-CD1 3.93Å; Q94-I100 HydrophobicContact CG-CG1 4.33Å; Q94-I100 VanDerWaalsContact OE1-CB 3.27Å; Q94-I100 VanDerWaalsContact OE1-CG1 3.24Å; I100-Y104 HydrophobicContact CB-CD2 4.47Å; I100-Y104 HydrophobicContact CG1-CD2 4Å; I100-Y104 HydrophobicContact CG1-CE2 3.78Å; I100-P105 VanDerWaalsContact O-CD 3.24Å; I100-P105 WeakPolarHBondContact O-CD 3.48Å; I100-F153 HydrophobicContact CD1-CE2 4.06Å; I100-F153 HydrophobicContact CD1-CZ 4.21Å; I100-F153 HydrophobicContact CG1-CZ 4.32Å
101	D	97.1	Very high	98	Very high	127 Å²	127	52 Å²	52	68%	0.679	26%	0.255	S	S	*	.	I	π-helix	trans	-83.1	-25.2	-169.2	-66.9	-29.1	0	0	0	113.3
102	I	98.4	Very high	97.9	Very high	88 Å²	88	55.3 Å²	55.3	45%	0.451	28%	0.279	S	S	.	.	I	π-helix	trans	-128.7	-59.6	-172.8	-52.6	-174.1	0	0	0	111.8	N98 P105 A106	N98-I102 HydrophobicContact CB-CB 4.15Å; N98-I102 HydrophobicContact CB-CD1 3.94Å; N98-I102 HydrophobicContact CB-CG1 4.1Å; N98-I102 WeakPolarHBondContact O-CA 3.28Å; N98-I102 WeakPolarHBondContact O-CB 3.46Å; N98-I102 PolarHBondContact O-N 2.94Å; I102-P105 WeakPolarHBondContact O-CD 3.23Å; I102-P105 WeakPolarHBondContact O-CG 3.48Å; I102-A106 WeakPolarHBondContact O-CB 3.45Å; I102-A106 PolarHBondContact O-N 3.4Å; I102-A106 VanDerWaalsContact O-N 3.15Å
103	L	98.6	Very high	97.8	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.037	30%	0.3	C	S	.	.	I	π-helix	trans	-76.1	-44.1	-165.6	-62.4	-178.4	0	0	0	113.2	N55 P68 Y81 N98 D99 A106 V107	N55-L103 HydrophobicContact CB-CD1 4.1Å; P68-L103 HydrophobicContact CG-CD2 4Å; Y81-L103 HydrophobicContact CE2-CB 4.19Å; Y81-L103 WeakPolarHBondContact OH-CB 3.28Å; Y81-L103 WeakPolarHBondContact OH-CD1 3.24Å; N98-L103 PolarHBondContact O-N 3.32Å; D99-L103 PolarHBondContact O-N 3.48Å; L103-A106 PolarHBondContact O-N 3.09Å; L103-V107 WeakPolarHBondContact O-CG2 3.23Å; L103-V107 PolarHBondContact O-N 3.23Å
104	Y	98.7	Very high	97.7	Very high	3 Å²	3	55 Å²	55	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-56.1	-56	176.4	-65.5	-3.7	0	0	0	111.1	Y81 D99 I100 A106 V107 M108 F153 N157 F159	Y81-Y104 HydrophobicContact CD1-CD1 4.37Å; Y81-Y104 AromaticContact CD1-CE1 3.82Å; Y81-Y104 HydrophobicContact CD1-CE1 3.82Å; Y81-Y104 HydrophobicContact CD2-CD1 4.09Å; Y81-Y104 HydrophobicContact CD2-CE1 4.36Å; Y81-Y104 AromaticContact CE1-CD1 3.99Å; Y81-Y104 HydrophobicContact CE1-CD1 3.99Å; Y81-Y104 AromaticContact CE1-CE1 3.42Å; Y81-Y104 HydrophobicContact CE1-CE1 3.42Å; Y81-Y104 VanDerWaalsContact CE1-CE1 3.42Å; Y81-Y104 AromaticContact CE2-CD1 3.64Å; Y81-Y104 HydrophobicContact CE2-CD1 3.64Å; Y81-Y104 AromaticContact CE2-CE1 3.98Å; Y81-Y104 HydrophobicContact CE2-CE1 3.98Å; Y81-Y104 HydrophobicContact CG-CD1 4.44Å; Y81-Y104 HydrophobicContact CG-CE1 4.3Å; Y81-Y104 AromaticContact CZ-CD1 3.6Å; Y81-Y104 AromaticContact CZ-CE1 3.5Å; D99-Y104 HydrophobicContact CB-CD1 4.12Å; D99-Y104 HydrophobicContact CB-CE1 3.52Å; D99-Y104 HydrophobicContact CB-CE2 4.13Å; D99-Y104 VanDerWaalsContact O-CB 3.29Å; D99-Y104 WeakPolarHBondContact O-CB 3.42Å; D99-Y104 WeakPolarHBondContact O-CD1 3.34Å; D99-Y104 PolarHBondContact O-N 3.01Å; D99-Y104 PolarHBondContact OD2-OH 2.86Å; I100-Y104 HydrophobicContact CB-CD2 4.47Å; I100-Y104 HydrophobicContact CG1-CD2 4Å; I100-Y104 HydrophobicContact CG1-CE2 3.78Å; Y104-A106 VanDerWaalsContact C-N 3.26Å; Y104-A106 PolarHBondContact O-N 2.89Å; Y104-V107 PolarHBondContact O-N 3.33Å; Y104-M108 VanDerWaalsContact O-CG 3.24Å; Y104-M108 WeakPolarHBondContact O-CG 3.45Å; Y104-M108 PolarHBondContact O-N 2.67Å; Y104-F153 AromaticContact CE2-CE1 3.74Å; Y104-F153 HydrophobicContact CE2-CE1 3.74Å; Y104-F153 AromaticContact CE2-CZ 3.78Å; Y104-F153 HydrophobicContact CE2-CZ 3.78Å; Y104-N157 HydrophobicContact CD2-CB 3.83Å; Y104-N157 HydrophobicContact CE2-CB 4.32Å; Y104-F159 HydrophobicContact CD1-CE2 4.5Å; Y104-F159 AromaticContact CD1-CZ 3.89Å; Y104-F159 HydrophobicContact CD1-CZ 3.89Å; Y104-F159 AromaticContact CD2-CE2 3.88Å; Y104-F159 HydrophobicContact CD2-CE2 3.88Å; Y104-F159 HydrophobicContact CD2-CZ 4.09Å; Y104-F159 HydrophobicContact CE1-CZ 4.09Å; Y104-F159 HydrophobicContact CE2-CE2 4.02Å; Y104-F159 HydrophobicContact CE2-CZ 4.26Å; Y104-F159 HydrophobicContact CG-CE2 4.13Å; Y104-F159 AromaticContact CG-CZ 3.9Å; Y104-F159 HydrophobicContact CG-CZ 3.9Å
105	P	98.7	Very high	97.7	Very high	65 Å²	65	57.9 Å²	57.9	42%	0.422	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-33	179.1	22.9	-32.1	0	0	0	112.6	I100 I102 M108 K109	I100-P105 VanDerWaalsContact O-CD 3.24Å; I100-P105 WeakPolarHBondContact O-CD 3.48Å; I102-P105 WeakPolarHBondContact O-CD 3.23Å; I102-P105 WeakPolarHBondContact O-CG 3.48Å; P105-M108 PolarHBondContact O-N 3.31Å; P105-K109 WeakPolarHBondContact O-CB 3.34Å; P105-K109 PolarHBondContact O-N 3.24Å
106	A	98.4	Very high	97.8	Very high	26 Å²	26	55.8 Å²	55.8	22%	0.215	30%	0.3	C	S	.	.	H	α-helix	trans	-69.7	-36.4	178.1	0	0	0	0	0	113.4	P68 I102 L103 Y104 K109 Q110	P68-A106 HydrophobicContact CB-CB 3.75Å; P68-A106 HydrophobicContact CG-CB 3.79Å; I102-A106 WeakPolarHBondContact O-CB 3.45Å; I102-A106 PolarHBondContact O-N 3.4Å; I102-A106 VanDerWaalsContact O-N 3.15Å; L103-A106 PolarHBondContact O-N 3.09Å; Y104-A106 VanDerWaalsContact C-N 3.26Å; Y104-A106 PolarHBondContact O-N 2.89Å; A106-K109 WeakPolarHBondContact O-CB 3.49Å; A106-Q110 PolarHBondContact O-NE2 3.06Å
107	V	98.7	Very high	97.9	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-68.9	-42.4	170.2	175.9	0	0	0	0	110.2	F53 P68 I79 Y81 L103 Y104 K109 Q110 V119	F53-V107 HydrophobicContact CD1-CG2 4.33Å; F53-V107 HydrophobicContact CD2-CG2 4.23Å; F53-V107 HydrophobicContact CE1-CG2 4.34Å; F53-V107 HydrophobicContact CE2-CG2 4.22Å; F53-V107 HydrophobicContact CG-CG2 4.29Å; F53-V107 HydrophobicContact CZ-CG2 4.29Å; P68-V107 HydrophobicContact CB-CG2 3.83Å; P68-V107 HydrophobicContact CG-CG2 3.83Å; I79-V107 HydrophobicContact CD1-CG1 4.36Å; I79-V107 HydrophobicContact CG2-CG1 4.05Å; Y81-V107 HydrophobicContact CD2-CB 4.5Å; Y81-V107 HydrophobicContact CD2-CG2 4.04Å; Y81-V107 HydrophobicContact CE2-CG2 3.93Å; L103-V107 WeakPolarHBondContact O-CG2 3.23Å; L103-V107 PolarHBondContact O-N 3.23Å; Y104-V107 PolarHBondContact O-N 3.33Å; V107-K109 PolarHBondContact O-N 2.92Å; V107-Q110 VanDerWaalsContact O-CB 3.31Å; V107-Q110 WeakPolarHBondContact O-CB 3.17Å; V107-Q110 WeakPolarHBondContact O-CG 3.36Å; V107-Q110 PolarHBondContact O-N 3Å; V107-Q110 VanDerWaalsContact O-N 3.1Å; V107-V119 HydrophobicContact CG1-CG1 3.77Å; V107-V119 HydrophobicContact CG1-CG2 4.11Å
108	M	98.5	Very high	98	Very high	24 Å²	24	49.8 Å²	49.8	12%	0.118	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-31.2	176.8	-64.8	-59	168.4	0	0	112.7	Y104 P105 Q110 K111 V119 K158 F159	Y104-M108 VanDerWaalsContact O-CG 3.24Å; Y104-M108 WeakPolarHBondContact O-CG 3.45Å; Y104-M108 PolarHBondContact O-N 2.67Å; P105-M108 PolarHBondContact O-N 3.31Å; M108-Q110 PolarHBondContact O-N 2.83Å; M108-K111 VanDerWaalsContact O-CB 3.29Å; M108-K111 WeakPolarHBondContact O-CB 3.35Å; M108-K111 WeakPolarHBondContact O-CG 3.21Å; M108-K111 PolarHBondContact O-N 2.95Å; M108-K111 HydrophobicContact SD-CD 4.49Å; M108-K111 PolarHBondContact SD-NZ 2.96Å; M108-V119 HydrophobicContact CE-CB 3.77Å; M108-V119 HydrophobicContact CE-CG1 3.62Å; M108-V119 HydrophobicContact SD-CB 3.78Å; M108-V119 HydrophobicContact SD-CG1 4.11Å; M108-V119 HydrophobicContact SD-CG2 3.96Å; M108-K158 WeakPolarHBondContact CE-O 3.49Å; M108-K158 VanDerWaalsContact SD-O 3.41Å; M108-F159 HydrophobicContact CE-CB 4.32Å; M108-F159 HydrophobicContact CE-CD1 3.39Å; M108-F159 HydrophobicContact CE-CD2 4.2Å; M108-F159 HydrophobicContact CE-CE1 3.6Å; M108-F159 HydrophobicContact CE-CE2 4.38Å; M108-F159 HydrophobicContact CE-CG 3.72Å; M108-F159 HydrophobicContact CE-CZ 4.08Å
109	K	98.2	Very high	98	Very high	133 Å²	133	49.4 Å²	49.4	58%	0.578	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-59.8	-23.9	175.9	-170	177	179.6	179.9	0	112.8	P105 A106 V107 K111 S112	P105-K109 WeakPolarHBondContact O-CB 3.34Å; P105-K109 PolarHBondContact O-N 3.24Å; A106-K109 WeakPolarHBondContact O-CB 3.49Å; V107-K109 PolarHBondContact O-N 2.92Å; K109-K111 PolarHBondContact O-N 2.78Å; K109-S112 VanDerWaalsContact O-CB 3.29Å; K109-S112 WeakPolarHBondContact O-CB 3.44Å; K109-S112 PolarHBondContact O-N 2.74Å; K109-S112 PolarHBondContact O-OG 3.29Å
110	Q	98.2	Very high	98.1	Very high	26 Å²	26	49.4 Å²	49.4	12%	0.121	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-64.1	-22.3	175.6	-54.7	-50.3	-42.3	0	0	112.7	P68 Y71 A106 V107 M108 S112 S113 Q114 L117	P68-Q110 PolarHBondContact O-NE2 3.2Å; Y71-Q110 HydrophobicContact CD1-CB 3.7Å; Y71-Q110 HydrophobicContact CD1-CG 3.67Å; Y71-Q110 HydrophobicContact CE1-CB 4.08Å; Y71-Q110 HydrophobicContact CG-CG 4.16Å; A106-Q110 PolarHBondContact O-NE2 3.06Å; V107-Q110 VanDerWaalsContact O-CB 3.31Å; V107-Q110 WeakPolarHBondContact O-CB 3.17Å; V107-Q110 WeakPolarHBondContact O-CG 3.36Å; V107-Q110 PolarHBondContact O-N 3Å; V107-Q110 VanDerWaalsContact O-N 3.1Å; M108-Q110 PolarHBondContact O-N 2.83Å; Q110-S112 PolarHBondContact O-N 3.21Å; Q110-S113 PolarHBondContact O-N 3.04Å; Q110-S113 PolarHBondContact O-OG 3.22Å; Q110-S113 VanDerWaalsContact O-OG 3.05Å; Q110-Q114 PolarHBondContact O-N 3.37Å; Q110-Q114 VanDerWaalsContact O-N 3.1Å; Q110-L117 HydrophobicContact CB-CD2 3.74Å
111	K	98.2	Very high	98.1	Very high	48 Å²	48	46.7 Å²	46.7	21%	0.209	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-63.3	-19.5	172.8	-62.9	177.7	177.2	176.3	0	113	M108 K109 Q114 P115 L117 D160	M108-K111 VanDerWaalsContact O-CB 3.29Å; M108-K111 WeakPolarHBondContact O-CB 3.35Å; M108-K111 WeakPolarHBondContact O-CG 3.21Å; M108-K111 PolarHBondContact O-N 2.95Å; M108-K111 HydrophobicContact SD-CD 4.49Å; M108-K111 PolarHBondContact SD-NZ 2.96Å; K109-K111 PolarHBondContact O-N 2.78Å; K111-Q114 WeakPolarHBondContact CA-O 3.48Å; K111-Q114 CarbonylContact O-C 3.44Å; K111-Q114 VanDerWaalsContact O-C 3.26Å; K111-P115 WeakPolarHBondContact O-CA 3.48Å; K111-L117 HydrophobicContact CG-CB 4.24Å; K111-L117 HydrophobicContact CG-CD2 4.25Å; K111-L117 HydrophobicContact CG-CG 4.42Å; K111-D160 WeakPolarHBondContact CE-OD2 3.25Å; K111-D160 VanDerWaalsContact NZ-CG 3.27Å; K111-D160 IonicContact NZ-OD1 3.96Å; K111-D160 PolarHBondContact NZ-OD1 3.39Å; K111-D160 IonicContact NZ-OD2 2.83Å; K111-D160 PolarHBondContact NZ-OD2 3.18Å
112	S	97.2	Very high	98.2	Very high	104 Å²	104	40.7 Å²	40.7	73%	0.727	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-69.4	-33.8	175.9	-59.9	0	0	0	0	112.8	K109 Q110	K109-S112 VanDerWaalsContact O-CB 3.29Å; K109-S112 WeakPolarHBondContact O-CB 3.44Å; K109-S112 PolarHBondContact O-N 2.74Å; K109-S112 PolarHBondContact O-OG 3.29Å; Q110-S112 PolarHBondContact O-N 3.21Å
113	S	96.1	Very high	98.2	Very high	69 Å²	69	36.6 Å²	36.6	48%	0.483	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-15.6	175.1	56.6	0	0	0	0	112.8	Q110	Q110-S113 PolarHBondContact O-N 3.04Å; Q110-S113 PolarHBondContact O-OG 3.22Å; Q110-S113 VanDerWaalsContact O-OG 3.05Å
114	Q	97.5	Very high	98.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.211	C	C	.	.			trans	-140.8	87	178.3	-173.9	-175.9	-10.4	0	0	111.3	Y71 A73 N74 C76 Q110 K111 D116 L117	Y71-Q114 PolarHBondContact OH-OE1 3.02Å; A73-Q114 HydrophobicContact CB-CB 4.34Å; N74-Q114 VanDerWaalsContact N-CD 3.34Å; C76-Q114 PolarHBondContact O-NE2 3.48Å; C76-Q114 PolarHBondContact O-OE1 3.47Å; Q110-Q114 PolarHBondContact O-N 3.37Å; Q110-Q114 VanDerWaalsContact O-N 3.1Å; K111-Q114 WeakPolarHBondContact CA-O 3.48Å; K111-Q114 CarbonylContact O-C 3.44Å; K111-Q114 VanDerWaalsContact O-C 3.26Å; Q114-D116 VanDerWaalsContact C-N 3.26Å; Q114-D116 WeakPolarHBondContact CG-OD1 3.24Å; Q114-D116 PolarHBondContact NE2-OD1 2.66Å; Q114-D116 PolarHBondContact O-N 3.21Å; Q114-L117 HydrophobicContact CB-CB 4.19Å; Q114-L117 HydrophobicContact CG-CB 3.97Å; Q114-L117 WeakPolarHBondContact O-CB 3.23Å; Q114-L117 PolarHBondContact O-N 3.29Å; Q114-L117 VanDerWaalsContact O-N 3.11Å
115	P	97.3	Very high	98	Very high	107 Å²	107	36.7 Å²	36.7	70%	0.695	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.4	-173.6	-26	36.1	0	0	0	116	K111 L117	K111-P115 WeakPolarHBondContact O-CA 3.48Å; P115-L117 VanDerWaalsContact C-N 3.35Å
116	D	96.1	Very high	97.5	Very high	77 Å²	77	42.2 Å²	42.2	41%	0.412	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-13	177.1	66.7	-38.5	0	0	0	113.2	Q114 K118	Q114-D116 VanDerWaalsContact C-N 3.26Å; Q114-D116 WeakPolarHBondContact CG-OD1 3.24Å; Q114-D116 PolarHBondContact NE2-OD1 2.66Å; Q114-D116 PolarHBondContact O-N 3.21Å; D116-K118 PolarHBondContact O-N 3.49Å
117	L	98.4	Very high	97	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.256	C	S	.	.			trans	-57.1	130.2	179.7	-179.2	64.3	0	0	0	112	Y71 I79 Q110 K111 Q114 P115 V119	Y71-L117 HydrophobicContact CE1-CD2 4.19Å; I79-L117 HydrophobicContact CD1-CD1 4.01Å; I79-L117 HydrophobicContact CD1-CD2 4Å; I79-L117 HydrophobicContact CG1-CD1 3.98Å; Q110-L117 HydrophobicContact CB-CD2 3.74Å; K111-L117 HydrophobicContact CG-CB 4.24Å; K111-L117 HydrophobicContact CG-CD2 4.25Å; K111-L117 HydrophobicContact CG-CG 4.42Å; Q114-L117 HydrophobicContact CB-CB 4.19Å; Q114-L117 HydrophobicContact CG-CB 3.97Å; Q114-L117 WeakPolarHBondContact O-CB 3.23Å; Q114-L117 PolarHBondContact O-N 3.29Å; Q114-L117 VanDerWaalsContact O-N 3.11Å; P115-L117 VanDerWaalsContact C-N 3.35Å; L117-V119 HydrophobicContact CD2-CG2 4.38Å; L117-V119 HydrophobicContact CG-CG2 4.28Å
118	K	98.8	Very high	96.6	Very high	73 Å²	73	51.4 Å²	51.4	32%	0.317	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.5	170.4	-54.9	-57.2	169.4	-158.7	0	110.4	E77 Y78 I79 D116 L120 D160 L201	E77-K118 PolarHBondContact O-N 2.94Å; Y78-K118 CarbonylContact C-O 3.6Å; Y78-K118 VanDerWaalsContact CA-O 3.31Å; Y78-K118 WeakPolarHBondContact CA-O 3.35Å; Y78-K118 HydrophobicContact CD1-CB 3.81Å; Y78-K118 HydrophobicContact CD1-CG 4.31Å; Y78-K118 HydrophobicContact CE1-CB 4.19Å; Y78-K118 HydrophobicContact CE1-CG 4.19Å; I79-K118 PolarHBondContact N-O 3.44Å; D116-K118 PolarHBondContact O-N 3.49Å; K118-L120 HydrophobicContact CB-CD1 4.18Å; K118-D160 VanDerWaalsContact CA-OD2 3.3Å; K118-D160 WeakPolarHBondContact CA-OD2 3.41Å; K118-D160 HydrophobicContact CB-CB 4.14Å; K118-D160 HydrophobicContact CD-CB 4.04Å; K118-L201 HydrophobicContact CB-CD1 4.15Å; K118-L201 HydrophobicContact CG-CD1 4.13Å
119	V	98.9	Very high	96.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.9	179.1	-174.5	0	0	0	0	108.1	I79 V107 M108 L117 F159 D160	I79-V119 HydrophobicContact CB-CG2 4.43Å; I79-V119 HydrophobicContact CG2-CG1 4.41Å; I79-V119 CarbonylContact O-C 3.53Å; I79-V119 WeakPolarHBondContact O-CA 3.47Å; V107-V119 HydrophobicContact CG1-CG1 3.77Å; V107-V119 HydrophobicContact CG1-CG2 4.11Å; M108-V119 HydrophobicContact CE-CB 3.77Å; M108-V119 HydrophobicContact CE-CG1 3.62Å; M108-V119 HydrophobicContact SD-CB 3.78Å; M108-V119 HydrophobicContact SD-CG1 4.11Å; M108-V119 HydrophobicContact SD-CG2 3.96Å; L117-V119 HydrophobicContact CD2-CG2 4.38Å; L117-V119 HydrophobicContact CG-CG2 4.28Å; V119-F159 HydrophobicContact CG1-CD1 3.95Å; V119-F159 HydrophobicContact CG1-CE1 3.9Å; V119-D160 PolarHBondContact N-OD2 2.88Å; V119-D160 PolarHBondContact O-N 3.31Å
120	L	98.9	Very high	96.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.9	178.1	-69.1	80.2	0	0	0	109.1	Y78 I79 F80 Y81 K118 G161 L201 T203	Y78-L120 HydrophobicContact CD1-CD1 3.93Å; I79-L120 PolarHBondContact O-N 3Å; F80-L120 HydrophobicContact CD1-CB 4.03Å; F80-L120 HydrophobicContact CD1-CD2 4.46Å; F80-L120 HydrophobicContact CE1-CB 4.42Å; F80-L120 HydrophobicContact CE1-CD1 4.43Å; F80-L120 HydrophobicContact CE1-CD2 4.07Å; Y81-L120 PolarHBondContact N-O 3.32Å; K118-L120 HydrophobicContact CB-CD1 4.18Å; L120-G161 WeakPolarHBondContact CA-O 3.21Å; L120-L201 HydrophobicContact CD1-CD1 4.12Å; L120-L201 HydrophobicContact CD2-CB 3.87Å; L120-L201 HydrophobicContact CG-CB 4.43Å; L120-T203 HydrophobicContact CD2-CG2 3.93Å
121	L	99	Very high	96.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.1	172.4	-176	60.5	0	0	0	109	Y81 A84 F153 L154 F159 G161 F162 D163	Y81-L121 HydrophobicContact CD1-CD1 4.03Å; Y81-L121 HydrophobicContact CG-CD1 4.39Å; A84-L121 HydrophobicContact CB-CD1 3.93Å; A84-L121 HydrophobicContact CB-CD2 3.79Å; A84-L121 HydrophobicContact CB-CG 3.83Å; L121-F153 HydrophobicContact CD2-CD1 3.53Å; L121-F153 HydrophobicContact CD2-CE1 3.52Å; L121-L154 HydrophobicContact CB-CD2 3.64Å; L121-L154 HydrophobicContact CD2-CD2 4.03Å; L121-L154 HydrophobicContact CG-CD2 4.49Å; L121-F159 HydrophobicContact CB-CD1 3.71Å; L121-F159 HydrophobicContact CB-CD2 4.07Å; L121-F159 HydrophobicContact CB-CE1 3.8Å; L121-F159 HydrophobicContact CB-CE2 4.13Å; L121-F159 HydrophobicContact CB-CG 3.87Å; L121-F159 HydrophobicContact CB-CZ 4.02Å; L121-F159 HydrophobicContact CD1-CE1 4.05Å; L121-F159 HydrophobicContact CD1-CE2 4.14Å; L121-F159 HydrophobicContact CD1-CZ 3.69Å; L121-F159 HydrophobicContact CD2-CD2 4.25Å; L121-F159 HydrophobicContact CD2-CE2 4.01Å; L121-F159 HydrophobicContact CD2-CZ 4.4Å; L121-F159 HydrophobicContact CG-CE1 4.46Å; L121-F159 HydrophobicContact CG-CE2 4.34Å; L121-F159 HydrophobicContact CG-CZ 4.25Å; L121-G161 PolarHBondContact N-O 3.19Å; L121-G161 VanDerWaalsContact N-O 3.09Å; L121-F162 WeakPolarHBondContact O-CA 3.49Å; L121-F162 VanDerWaalsContact O-CD2 3.27Å; L121-F162 WeakPolarHBondContact O-CD2 3.33Å; L121-D163 PolarHBondContact O-N 3.43Å
122	S	99	Very high	96.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	141.8	178.3	-24.5	0	0	0	0	109.6	F80 Y81 F83 A84 D163	F80-S122 WeakPolarHBondContact CB-OG 3.42Å; Y81-S122 WeakPolarHBondContact O-CA 3.39Å; Y81-S122 WeakPolarHBondContact O-CB 3.41Å; Y81-S122 PolarHBondContact O-N 3.36Å; Y81-S122 PolarHBondContact O-OG 2.92Å; F83-S122 WeakPolarHBondContact CA-O 3.42Å; A84-S122 PolarHBondContact N-O 3.12Å; S122-D163 CarbonylContact C-O 3.52Å; S122-D163 VanDerWaalsContact CA-O 3.25Å; S122-D163 WeakPolarHBondContact CA-O 3.31Å
123	L	98.9	Very high	96.6	Very high	3 Å²	3	43 Å²	43	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.3	177.9	179.2	70.2	0	0	0	111	A84 L86 F133 F146 F162 D163 D165	A84-L123 HydrophobicContact CB-CD1 3.8Å; A84-L123 WeakPolarHBondContact O-CD1 3.49Å; L86-L123 HydrophobicContact CB-CD1 3.97Å; L86-L123 HydrophobicContact CB-CD2 4.22Å; L86-L123 HydrophobicContact CB-CG 4.43Å; L86-L123 HydrophobicContact CD1-CD2 4.49Å; L123-F133 HydrophobicContact CD2-CE1 4.28Å; L123-F133 HydrophobicContact CD2-CZ 4.5Å; L123-F133 HydrophobicContact CG-CE1 4.42Å; L123-F133 HydrophobicContact CG-CZ 4.16Å; L123-F146 HydrophobicContact CD2-CE2 3.49Å; L123-F146 VanDerWaalsContact CD2-CE2 3.49Å; L123-F146 HydrophobicContact CD2-CZ 3.79Å; L123-F162 HydrophobicContact CB-CE2 3.56Å; L123-F162 HydrophobicContact CB-CZ 3.98Å; L123-F162 HydrophobicContact CD2-CE2 4.34Å; L123-F162 HydrophobicContact CD2-CZ 4.27Å; L123-D163 PolarHBondContact N-O 3.1Å; L123-D165 CarbonylContact O-C 3.54Å; L123-D165 WeakPolarHBondContact O-CA 3.37Å; L123-D165 PolarHBondContact O-N 3.46Å
124	G	98.2	Very high	96.7	Very high	9 Å²	9	42 Å²	42	9%	0.093	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.8	-116.8	177.3	0	0	0	0	0	111	A128 D165	G124-A128 WeakPolarHBondContact O-CB 3.4Å; G124-D165 CarbonylContact C-O 3.53Å; G124-D165 WeakPolarHBondContact CA-O 3.47Å
125	G	94.3	Very high	96.7	Very high	3 Å²	3	48.3 Å²	48.3	3%	0.031	27%	0.267	C	S	.	.			trans	80.6	160.8	-171.5	0	0	0	0	0	112.6	N127 A128 D165 E167	G125-N127 VanDerWaalsContact C-N 3.29Å; G125-N127 PolarHBondContact O-N 2.74Å; G125-N127 VanDerWaalsContact O-N 3.13Å; G125-A128 WeakPolarHBondContact O-CB 3.49Å; G125-A128 PolarHBondContact O-N 3.16Å; G125-D165 PolarHBondContact N-O 2.94Å; G125-E167 VanDerWaalsContact CA-OE1 3.3Å; G125-E167 WeakPolarHBondContact CA-OE1 3.5Å
126	W	88.1	Confident	96.8	Very high	180 Å²	180	43.2 Å²	43.2	68%	0.682	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-44.6	-46.8	-178.3	-175.3	-105.2	0	0	0	114.8	A128 G129 E167	W126-A128 VanDerWaalsContact C-N 3.3Å; W126-A128 PolarHBondContact O-N 2.94Å; W126-G129 PolarHBondContact O-N 3.21Å; W126-E167 PolarHBondContact N-OE1 3.44Å
127	N	88.4	Confident	96.9	Very high	164 Å²	164	39.6 Å²	39.6	88%	0.877	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-72.2	-17.9	-175.3	-71.8	-20.4	0	0	0	114.3	G125 G129	G125-N127 VanDerWaalsContact C-N 3.29Å; G125-N127 PolarHBondContact O-N 2.74Å; G125-N127 VanDerWaalsContact O-N 3.13Å; N127-G129 VanDerWaalsContact C-N 3.25Å; N127-G129 PolarHBondContact O-N 3.11Å
128	A	90.2	Very high	97	Very high	59 Å²	59	42 Å²	42	49%	0.488	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-73.4	-21.2	175.5	0	0	0	0	0	112.3	G124 G125 W126	G124-A128 WeakPolarHBondContact O-CB 3.4Å; G125-A128 WeakPolarHBondContact O-CB 3.49Å; G125-A128 PolarHBondContact O-N 3.16Å; W126-A128 VanDerWaalsContact C-N 3.3Å; W126-A128 PolarHBondContact O-N 2.94Å
129	G	95.8	Very high	97	Very high	29 Å²	29	41.3 Å²	41.3	30%	0.299	24%	0.237	S	C	.	.			trans	60.1	-163.9	-172.6	0	0	0	0	0	112.7	W126 N127	W126-G129 PolarHBondContact O-N 3.21Å; N127-G129 VanDerWaalsContact C-N 3.25Å; N127-G129 PolarHBondContact O-N 3.11Å
130	T	98.3	Very high	97	Very high	33 Å²	33	44.9 Å²	44.9	20%	0.202	26%	0.261	C	S	.	.	S	Bend	trans	-115.4	-14	-172.1	62.7	0	0	0	0	114.3	T132 F133 K134 E167	T130-T132 PolarHBondContact O-N 2.9Å; T130-F133 PolarHBondContact O-N 3.47Å; T130-K134 WeakPolarHBondContact O-CG 3.25Å; T130-K134 PolarHBondContact O-N 2.8Å; T130-E167 VanDerWaalsContact CG2-O 3.25Å; T130-E167 WeakPolarHBondContact CG2-O 3.32Å
131	A	98.4	Very high	97	Very high	61 Å²	61	49.1 Å²	49.1	50%	0.504	29%	0.291	S	S	.	.	H	α-helix	trans	-60.3	-45.8	-168.7	0	0	0	0	0	113.2	K135	A131-K135 WeakPolarHBondContact O-CG 3.38Å; A131-K135 PolarHBondContact O-N 3.14Å
132	T	98.5	Very high	97	Very high	31 Å²	31	51.2 Å²	51.2	19%	0.19	30%	0.302	C	S	.	.	H	α-helix	trans	-72.1	-37.3	-179.6	-50.3	0	0	0	0	111.3	L86 F90 T130 K135 M136	L86-T132 HydrophobicContact CD2-CG2 3.73Å; L86-T132 HydrophobicContact CG-CG2 3.75Å; F90-T132 HydrophobicContact CD1-CG2 4.21Å; F90-T132 HydrophobicContact CE1-CG2 4.34Å; T130-T132 PolarHBondContact O-N 2.9Å; T132-K135 PolarHBondContact O-N 3.27Å; T132-M136 VanDerWaalsContact O-CB 3.27Å; T132-M136 WeakPolarHBondContact O-CB 3.42Å; T132-M136 PolarHBondContact O-N 3.23Å
133	F	98.7	Very high	96.9	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.022	31%	0.305	C	S	.	.	H	α-helix	trans	-60.9	-48.4	173.1	-78.4	-64.7	0	0	0	112.6	L86 L123 T130 K135 M136 A137 L164 W166	L86-F133 HydrophobicContact CD2-CD1 3.88Å; L86-F133 HydrophobicContact CD2-CE1 3.99Å; L86-F133 HydrophobicContact CD2-CG 4.31Å; L123-F133 HydrophobicContact CD2-CE1 4.28Å; L123-F133 HydrophobicContact CD2-CZ 4.5Å; L123-F133 HydrophobicContact CG-CE1 4.42Å; L123-F133 HydrophobicContact CG-CZ 4.16Å; T130-F133 PolarHBondContact O-N 3.47Å; F133-K135 VanDerWaalsContact C-N 3.29Å; F133-K135 PolarHBondContact O-N 2.8Å; F133-M136 HydrophobicContact CD1-CE 4Å; F133-M136 PolarHBondContact O-N 3.17Å; F133-M136 VanDerWaalsContact O-N 3.17Å; F133-A137 WeakPolarHBondContact O-CB 3.04Å; F133-A137 PolarHBondContact O-N 2.88Å; F133-L164 HydrophobicContact CE1-CD1 3.81Å; F133-L164 HydrophobicContact CZ-CD1 4.38Å; F133-W166 HydrophobicContact CB-CD2 3.44Å; F133-W166 VanDerWaalsContact CB-CD2 3.44Å; F133-W166 HydrophobicContact CB-CE3 3.71Å; F133-W166 HydrophobicContact CB-CG 3.86Å; F133-W166 HydrophobicContact CB-CH2 4.12Å; F133-W166 HydrophobicContact CB-CZ2 3.89Å; F133-W166 HydrophobicContact CB-CZ3 4.04Å; F133-W166 HydrophobicContact CD1-CB 4.16Å; F133-W166 HydrophobicContact CD1-CD2 4.22Å; F133-W166 HydrophobicContact CD1-CE3 4.15Å; F133-W166 HydrophobicContact CD1-CG 4.22Å; F133-W166 HydrophobicContact CD2-CB 4Å; F133-W166 AromaticContact CD2-CD1 3.87Å; F133-W166 HydrophobicContact CD2-CD2 4.3Å; F133-W166 AromaticContact CD2-CG 3.78Å; F133-W166 HydrophobicContact CD2-CG 3.78Å; F133-W166 HydrophobicContact CE1-CB 4.24Å; F133-W166 HydrophobicContact CE2-CB 4.06Å; F133-W166 HydrophobicContact CE2-CG 4.35Å; F133-W166 HydrophobicContact CG-CB 4.05Å; F133-W166 AromaticContact CG-CD2 3.77Å; F133-W166 HydrophobicContact CG-CD2 3.77Å; F133-W166 HydrophobicContact CG-CE3 4.09Å; F133-W166 AromaticContact CG-CG 3.71Å; F133-W166 HydrophobicContact CG-CG 3.71Å; F133-W166 HydrophobicContact CZ-CB 4.19Å
134	K	98.8	Very high	96.9	Very high	47 Å²	47	53.9 Å²	53.9	20%	0.204	32%	0.322	C	S	.	.	H	α-helix	trans	-54.1	-46.4	177.1	-73.5	176.4	177.1	-79.5	0	111.2	T130 A138 W166 E170 D173	T130-K134 WeakPolarHBondContact O-CG 3.25Å; T130-K134 PolarHBondContact O-N 2.8Å; K134-A138 WeakPolarHBondContact O-CB 3.41Å; K134-A138 PolarHBondContact O-N 3.36Å; K134-W166 HydrophobicContact CG-CH2 4.35Å; K134-W166 HydrophobicContact CG-CZ2 3.72Å; K134-E170 VanDerWaalsContact NZ-CD 3.29Å; K134-E170 IonicContact NZ-OE1 3.49Å; K134-E170 IonicContact NZ-OE2 3.1Å; K134-E170 PolarHBondContact NZ-OE2 3.36Å; K134-D173 WeakPolarHBondContact CE-OD2 3.47Å; K134-D173 IonicContact NZ-OD1 3.6Å; K134-D173 PolarHBondContact NZ-OD1 2.87Å; K134-D173 IonicContact NZ-OD2 2.83Å; K134-D173 PolarHBondContact NZ-OD2 3.01Å
135	K	98.8	Very high	97	Very high	134 Å²	134	57.8 Å²	57.8	58%	0.583	34%	0.337	S	S	*	.	H	α-helix	trans	-68.5	-40.9	178.1	-68.2	175.1	-176.4	174.8	0	113	F90 A131 T132 F133 N142	F90-K135 HydrophobicContact CE1-CB 3.78Å; F90-K135 HydrophobicContact CZ-CB 3.83Å; A131-K135 WeakPolarHBondContact O-CG 3.38Å; A131-K135 PolarHBondContact O-N 3.14Å; T132-K135 PolarHBondContact O-N 3.27Å; F133-K135 VanDerWaalsContact C-N 3.29Å; F133-K135 PolarHBondContact O-N 2.8Å; K135-N142 PolarHBondContact O-ND2 3.32Å
136	M	98.8	Very high	97.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.5	-44.9	179.4	-179	-85.6	-72.8	0	0	111.1	L86 F90 T132 F133 A138 N142 R143 F146 L180	L86-M136 HydrophobicContact CD2-CB 4.49Å; F90-M136 HydrophobicContact CB-CB 4.36Å; F90-M136 HydrophobicContact CB-CG 3.89Å; F90-M136 HydrophobicContact CD1-CB 3.57Å; F90-M136 HydrophobicContact CD1-CG 4.07Å; F90-M136 HydrophobicContact CE1-CB 4.02Å; F90-M136 HydrophobicContact CG-CB 3.97Å; F90-M136 HydrophobicContact CG-CG 4Å; T132-M136 VanDerWaalsContact O-CB 3.27Å; T132-M136 WeakPolarHBondContact O-CB 3.42Å; T132-M136 PolarHBondContact O-N 3.23Å; F133-M136 HydrophobicContact CD1-CE 4Å; F133-M136 PolarHBondContact O-N 3.17Å; F133-M136 VanDerWaalsContact O-N 3.17Å; M136-A138 VanDerWaalsContact C-N 3.33Å; M136-A138 PolarHBondContact O-N 2.91Å; M136-N142 WeakPolarHBondContact O-CB 3.37Å; M136-R143 WeakPolarHBondContact O-CG 3.36Å; M136-R143 PolarHBondContact O-N 3.43Å; M136-R143 HydrophobicContact SD-CG 4.33Å; M136-F146 HydrophobicContact CE-CD1 3.71Å; M136-F146 HydrophobicContact CE-CD2 4.25Å; M136-F146 HydrophobicContact CE-CE1 3.9Å; M136-F146 HydrophobicContact CE-CE2 4.41Å; M136-F146 HydrophobicContact CE-CG 3.9Å; M136-F146 HydrophobicContact CE-CZ 4.25Å; M136-F146 HydrophobicContact CG-CB 3.64Å; M136-F146 HydrophobicContact CG-CD1 4.46Å; M136-F146 HydrophobicContact CG-CD2 4.43Å; M136-F146 HydrophobicContact CG-CG 3.93Å; M136-F146 HydrophobicContact SD-CB 3.72Å; M136-F146 HydrophobicContact SD-CD1 3.57Å; M136-F146 VanDerWaalsContact SD-CD1 3.57Å; M136-F146 HydrophobicContact SD-CD2 4.46Å; M136-F146 HydrophobicContact SD-CE1 4.34Å; M136-F146 HydrophobicContact SD-CG 3.64Å; M136-L180 HydrophobicContact CE-CD1 4.01Å; M136-L180 HydrophobicContact CE-CD2 3.64Å; M136-L180 HydrophobicContact CE-CG 4.49Å; M136-L180 HydrophobicContact SD-CD1 3.77Å; M136-L180 HydrophobicContact SD-CD2 4.3Å
137	A	98.9	Very high	97.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-75.5	-20.2	-176.3	0	0	0	0	0	113.6	F133 T139 R143 W166 N176	F133-A137 WeakPolarHBondContact O-CB 3.04Å; F133-A137 PolarHBondContact O-N 2.88Å; A137-T139 VanDerWaalsContact C-N 3.32Å; A137-T139 PolarHBondContact O-N 3.35Å; A137-R143 WeakPolarHBondContact O-CD 3.39Å; A137-R143 PolarHBondContact O-NH1 3.01Å; A137-W166 HydrophobicContact CB-CH2 4.12Å; A137-W166 HydrophobicContact CB-CZ3 3.79Å; A137-N176 HydrophobicContact CB-CB 3.93Å; A137-N176 PolarHBondContact O-OD1 2.89Å
138	A	98.7	Very high	98.2	Very high	50 Å²	50	44.5 Å²	44.5	41%	0.413	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.5	-170.2	0	0	0	0	0	116	K134 M136	K134-A138 WeakPolarHBondContact O-CB 3.41Å; K134-A138 PolarHBondContact O-N 3.36Å; M136-A138 VanDerWaalsContact C-N 3.33Å; M136-A138 PolarHBondContact O-N 2.91Å
139	T	98.9	Very high	98.6	Very high	60 Å²	60	43 Å²	43	37%	0.368	27%	0.268	S	S	.	.	S	Bend	trans	-137.8	148.2	-178.7	76.1	0	0	0	0	111.9	A137 S141 N142 R143	A137-T139 VanDerWaalsContact C-N 3.32Å; A137-T139 PolarHBondContact O-N 3.35Å; T139-S141 PolarHBondContact O-N 2.82Å; T139-N142 PolarHBondContact O-N 3.26Å; T139-N142 VanDerWaalsContact O-N 3.14Å; T139-N142 WeakPolarHBondContact OG1-CB 3.48Å; T139-N142 PolarHBondContact OG1-N 3.04Å; T139-N142 PolarHBondContact OG1-ND2 2.79Å; T139-N142 PolarHBondContact OG1-OD1 3.5Å; T139-R143 WeakPolarHBondContact O-CG 3.27Å; T139-R143 PolarHBondContact O-N 3.39Å
140	S	98.8	Very high	98.8	Very high	74 Å²	74	41.6 Å²	41.6	52%	0.517	25%	0.254	S	S	.	.	H	α-helix	trans	-57.6	-36.2	176.5	178.8	0	0	0	0	112.4	A144	S140-A144 VanDerWaalsContact O-CB 3.24Å; S140-A144 WeakPolarHBondContact O-CB 3.23Å; S140-A144 PolarHBondContact O-N 2.82Å
141	S	98.9	Very high	98.8	Very high	90 Å²	90	40.7 Å²	40.7	63%	0.629	25%	0.249	S	C	*	.	H	α-helix	trans	-64.7	-42.8	176.4	-172.7	0	0	0	0	112.5	T139 K145	T139-S141 PolarHBondContact O-N 2.82Å; S141-K145 PolarHBondContact O-N 3.43Å
142	N	98.9	Very high	98.8	Very high	43 Å²	43	40.5 Å²	40.5	23%	0.23	24%	0.244	C	C	.	.	H	α-helix	trans	-68.1	-44.4	179.8	-67.6	-6.1	0	0	0	110.9	F90 K135 M136 T139 A144 K145 F146	F90-N142 HydrophobicContact CD2-CB 3.74Å; F90-N142 HydrophobicContact CE2-CB 3.77Å; F90-N142 WeakPolarHBondContact CE2-ND2 3.35Å; K135-N142 PolarHBondContact O-ND2 3.32Å; M136-N142 WeakPolarHBondContact O-CB 3.37Å; T139-N142 PolarHBondContact O-N 3.26Å; T139-N142 VanDerWaalsContact O-N 3.14Å; T139-N142 WeakPolarHBondContact OG1-CB 3.48Å; T139-N142 PolarHBondContact OG1-N 3.04Å; T139-N142 PolarHBondContact OG1-ND2 2.79Å; T139-N142 PolarHBondContact OG1-OD1 3.5Å; N142-A144 PolarHBondContact O-N 2.87Å; N142-K145 PolarHBondContact O-N 3.29Å; N142-F146 PolarHBondContact O-N 2.73Å
143	R	98.9	Very high	98.8	Very high	13 Å²	13	39.6 Å²	39.6	5%	0.049	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-45.6	174.6	-65.9	-168.8	-56.2	-103.6	7.7	111.6	M136 A137 T139 K145 F146 I147 L180 E183	M136-R143 WeakPolarHBondContact O-CG 3.36Å; M136-R143 PolarHBondContact O-N 3.43Å; M136-R143 HydrophobicContact SD-CG 4.33Å; A137-R143 WeakPolarHBondContact O-CD 3.39Å; A137-R143 PolarHBondContact O-NH1 3.01Å; T139-R143 WeakPolarHBondContact O-CG 3.27Å; T139-R143 PolarHBondContact O-N 3.39Å; R143-K145 VanDerWaalsContact C-N 3.33Å; R143-K145 PolarHBondContact O-N 3.16Å; R143-F146 PolarHBondContact O-N 3.08Å; R143-I147 HydrophobicContact CB-CD1 4.39Å; R143-I147 WeakPolarHBondContact O-CB 3.42Å; R143-I147 WeakPolarHBondContact O-CD1 3.18Å; R143-I147 WeakPolarHBondContact O-CG1 3.28Å; R143-I147 PolarHBondContact O-N 3.29Å; R143-L180 HydrophobicContact CB-CD1 4.46Å; R143-L180 HydrophobicContact CG-CD1 4.19Å; R143-E183 VanDerWaalsContact CB-OE2 3.23Å; R143-E183 WeakPolarHBondContact CB-OE2 3.38Å; R143-E183 IonicContact CZ-OE1 3.7Å; R143-E183 IonicContact CZ-OE2 2.67Å; R143-E183 VanDerWaalsContact NE-CD 3.27Å; R143-E183 IonicContact NE-OE1 3.31Å; R143-E183 PolarHBondContact NE-OE1 3.21Å; R143-E183 IonicContact NE-OE2 3.55Å; R143-E183 PolarHBondContact NE-OE2 3.48Å; R143-E183 IonicContact NH2-OE1 3.75Å; R143-E183 PolarHBondContact NH2-OE1 3.17Å; R143-E183 IonicContact NH2-OE2 2.64Å
144	A	98.9	Very high	98.8	Very high	46 Å²	46	39.4 Å²	39.4	38%	0.38	24%	0.236	S	C	.	.	H	α-helix	trans	-61.3	-39.5	177.6	0	0	0	0	0	112.9	S140 N142 S148	S140-A144 VanDerWaalsContact O-CB 3.24Å; S140-A144 WeakPolarHBondContact O-CB 3.23Å; S140-A144 PolarHBondContact O-N 2.82Å; N142-A144 PolarHBondContact O-N 2.87Å; A144-S148 WeakPolarHBondContact O-CB 3.49Å; A144-S148 PolarHBondContact O-N 2.91Å; A144-S148 PolarHBondContact O-OG 2.79Å
145	K	98.9	Very high	98.8	Very high	92 Å²	92	41.1 Å²	41.1	40%	0.4	24%	0.244	S	C	.	.	H	α-helix	trans	-62.6	-50.2	174.5	-174.9	179.3	178.7	-165	0	110.9	D89 S141 N142 R143 S148 S149	D89-K145 VanDerWaalsContact CG-NZ 3.34Å; D89-K145 VanDerWaalsContact O-CD 3.32Å; D89-K145 WeakPolarHBondContact O-CD 3.32Å; D89-K145 WeakPolarHBondContact O-CE 3.5Å; D89-K145 PolarHBondContact O-NZ 3.03Å; D89-K145 IonicContact OD2-NZ 3.36Å; D89-K145 PolarHBondContact OD2-NZ 2.87Å; S141-K145 PolarHBondContact O-N 3.43Å; N142-K145 PolarHBondContact O-N 3.29Å; R143-K145 VanDerWaalsContact C-N 3.33Å; R143-K145 PolarHBondContact O-N 3.16Å; K145-S148 PolarHBondContact O-N 3.04Å; K145-S149 PolarHBondContact O-N 2.86Å; K145-S149 VanDerWaalsContact O-N 3.09Å
146	F	98.9	Very high	98.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.2	-53.2	176.7	164.8	-106.6	0	0	0	112	L86 F90 V92 L123 M136 N142 R143 S148 S149 L150 F162 L180 I184	L86-F146 HydrophobicContact CD1-CD2 3.68Å; L86-F146 HydrophobicContact CD1-CE2 3.98Å; F90-F146 HydrophobicContact CB-CB 4.29Å; F90-F146 VanDerWaalsContact O-CA 3.25Å; F90-F146 WeakPolarHBondContact O-CA 3.38Å; F90-F146 WeakPolarHBondContact O-CB 3.42Å; V92-F146 HydrophobicContact CG2-CD2 3.86Å; V92-F146 HydrophobicContact CG2-CE2 3.52Å; L123-F146 HydrophobicContact CD2-CE2 3.49Å; L123-F146 VanDerWaalsContact CD2-CE2 3.49Å; L123-F146 HydrophobicContact CD2-CZ 3.79Å; M136-F146 HydrophobicContact CE-CD1 3.71Å; M136-F146 HydrophobicContact CE-CD2 4.25Å; M136-F146 HydrophobicContact CE-CE1 3.9Å; M136-F146 HydrophobicContact CE-CE2 4.41Å; M136-F146 HydrophobicContact CE-CG 3.9Å; M136-F146 HydrophobicContact CE-CZ 4.25Å; M136-F146 HydrophobicContact CG-CB 3.64Å; M136-F146 HydrophobicContact CG-CD1 4.46Å; M136-F146 HydrophobicContact CG-CD2 4.43Å; M136-F146 HydrophobicContact CG-CG 3.93Å; M136-F146 HydrophobicContact SD-CB 3.72Å; M136-F146 HydrophobicContact SD-CD1 3.57Å; M136-F146 VanDerWaalsContact SD-CD1 3.57Å; M136-F146 HydrophobicContact SD-CD2 4.46Å; M136-F146 HydrophobicContact SD-CE1 4.34Å; M136-F146 HydrophobicContact SD-CG 3.64Å; N142-F146 PolarHBondContact O-N 2.73Å; R143-F146 PolarHBondContact O-N 3.08Å; F146-S148 VanDerWaalsContact C-N 3.3Å; F146-S148 PolarHBondContact O-N 3.13Å; F146-S149 WeakPolarHBondContact O-CB 3.37Å; F146-S149 PolarHBondContact O-N 2.8Å; F146-S149 VanDerWaalsContact O-N 3.12Å; F146-L150 HydrophobicContact CE1-CD2 4.03Å; F146-L150 HydrophobicContact CE2-CB 4.4Å; F146-L150 HydrophobicContact CZ-CB 4.35Å; F146-L150 HydrophobicContact CZ-CD2 3.85Å; F146-L150 WeakPolarHBondContact O-CB 3.39Å; F146-L150 PolarHBondContact O-N 3.43Å; F146-F162 HydrophobicContact CZ-CE1 4.43Å; F146-F162 HydrophobicContact CZ-CZ 4.1Å; F146-L180 HydrophobicContact CD1-CD1 3.82Å; F146-L180 HydrophobicContact CE1-CD1 3.94Å; F146-I184 HydrophobicContact CE1-CD1 4.16Å
147	I	98.9	Very high	98.8	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.036	25%	0.251	C	S	.	.	H	α-helix	trans	-60	-41.5	-177	-69.1	165.8	0	0	0	111.1	R143 L150 V151 E183 I184 K187	R143-I147 HydrophobicContact CB-CD1 4.39Å; R143-I147 WeakPolarHBondContact O-CB 3.42Å; R143-I147 WeakPolarHBondContact O-CD1 3.18Å; R143-I147 WeakPolarHBondContact O-CG1 3.28Å; R143-I147 PolarHBondContact O-N 3.29Å; I147-L150 PolarHBondContact O-N 3.32Å; I147-V151 WeakPolarHBondContact O-CB 3.36Å; I147-V151 WeakPolarHBondContact O-CG2 3.39Å; I147-V151 PolarHBondContact O-N 2.89Å; I147-E183 HydrophobicContact CD1-CB 3.48Å; I147-E183 VanDerWaalsContact CD1-CB 3.48Å; I147-I184 HydrophobicContact CD1-CG1 4.06Å; I147-I184 HydrophobicContact CG1-CG1 3.77Å; I147-K187 HydrophobicContact CG2-CB 3.54Å; I147-K187 HydrophobicContact CG2-CG 3.63Å
148	S	98.7	Very high	98.7	Very high	61 Å²	61	48.9 Å²	48.9	43%	0.427	28%	0.28	S	S	.	.	H	α-helix	trans	-65.5	-40.2	178.2	-58.7	0	0	0	0	112.1	A144 K145 F146 S152	A144-S148 WeakPolarHBondContact O-CB 3.49Å; A144-S148 PolarHBondContact O-N 2.91Å; A144-S148 PolarHBondContact O-OG 2.79Å; K145-S148 PolarHBondContact O-N 3.04Å; F146-S148 VanDerWaalsContact C-N 3.3Å; F146-S148 PolarHBondContact O-N 3.13Å; S148-S152 PolarHBondContact O-N 2.9Å; S148-S152 PolarHBondContact O-OG 2.86Å
149	S	98.9	Very high	98.7	Very high	26 Å²	26	46.9 Å²	46.9	18%	0.182	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-47.4	175	179.3	0	0	0	0	111.4	T91 V92 K145 F146 V151 S152 F153	T91-S149 WeakPolarHBondContact CA-OG 3.44Å; V92-S149 PolarHBondContact N-OG 3.19Å; K145-S149 PolarHBondContact O-N 2.86Å; K145-S149 VanDerWaalsContact O-N 3.09Å; F146-S149 WeakPolarHBondContact O-CB 3.37Å; F146-S149 PolarHBondContact O-N 2.8Å; F146-S149 VanDerWaalsContact O-N 3.12Å; S149-V151 PolarHBondContact O-N 2.84Å; S149-S152 WeakPolarHBondContact O-CB 3.16Å; S149-S152 PolarHBondContact O-N 2.92Å; S149-F153 WeakPolarHBondContact O-CB 3.48Å; S149-F153 PolarHBondContact O-N 3.4Å
150	L	98.9	Very high	98.7	Very high	1 Å²	1	46 Å²	46	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-55.3	-52.5	176.7	175.5	65.5	0	0	0	111.6	V92 F146 I147 S152 F153 L154 F162 F188	V92-L150 HydrophobicContact CG2-CB 3.96Å; V92-L150 HydrophobicContact CG2-CD1 4.18Å; F146-L150 HydrophobicContact CE1-CD2 4.03Å; F146-L150 HydrophobicContact CE2-CB 4.4Å; F146-L150 HydrophobicContact CZ-CB 4.35Å; F146-L150 HydrophobicContact CZ-CD2 3.85Å; F146-L150 WeakPolarHBondContact O-CB 3.39Å; F146-L150 PolarHBondContact O-N 3.43Å; I147-L150 PolarHBondContact O-N 3.32Å; L150-S152 VanDerWaalsContact C-N 3.27Å; L150-S152 PolarHBondContact O-N 3.04Å; L150-F153 PolarHBondContact O-N 3.41Å; L150-L154 HydrophobicContact CD1-CD1 3.84Å; L150-L154 HydrophobicContact CD1-CD2 4.31Å; L150-L154 HydrophobicContact CD1-CG 3.92Å; L150-L154 HydrophobicContact CG-CD1 3.81Å; L150-L154 HydrophobicContact CG-CG 4.29Å; L150-L154 VanDerWaalsContact O-CG 3.25Å; L150-L154 WeakPolarHBondContact O-CG 3.23Å; L150-L154 PolarHBondContact O-N 2.79Å; L150-F162 HydrophobicContact CD1-CD2 3.66Å; L150-F162 HydrophobicContact CD1-CE2 3.9Å; L150-F162 HydrophobicContact CD1-CG 4.13Å; L150-F162 HydrophobicContact CD2-CB 4.45Å; L150-F162 HydrophobicContact CD2-CD1 3.66Å; L150-F162 HydrophobicContact CD2-CD2 4.08Å; L150-F162 HydrophobicContact CD2-CE1 3.86Å; L150-F162 HydrophobicContact CD2-CE2 4.27Å; L150-F162 HydrophobicContact CD2-CG 3.79Å; L150-F162 HydrophobicContact CD2-CZ 4.18Å; L150-F162 HydrophobicContact CG-CD2 4.47Å; L150-F162 HydrophobicContact CG-CG 4.49Å; L150-F188 HydrophobicContact CD2-CZ 4.35Å
151	V	98.7	Very high	98.7	Very high	13 Å²	13	42.4 Å²	42.4	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-57.9	-42.5	179.6	166.5	0	0	0	0	111.5	I147 S149 K155 K187 F188 V191	I147-V151 WeakPolarHBondContact O-CB 3.36Å; I147-V151 WeakPolarHBondContact O-CG2 3.39Å; I147-V151 PolarHBondContact O-N 2.89Å; S149-V151 PolarHBondContact O-N 2.84Å; V151-K155 HydrophobicContact CG1-CD 4.43Å; V151-K155 WeakPolarHBondContact O-CB 3.36Å; V151-K155 WeakPolarHBondContact O-CG 3.08Å; V151-K155 PolarHBondContact O-N 2.87Å; V151-K187 HydrophobicContact CG2-CG 3.95Å; V151-F188 HydrophobicContact CG2-CD1 3.94Å; V151-F188 HydrophobicContact CG2-CE1 3.77Å; V151-V191 HydrophobicContact CG1-CG1 4.27Å; V151-V191 HydrophobicContact CG1-CG2 3.89Å
152	S	98.5	Very high	98.7	Very high	58 Å²	58	38.2 Å²	38.2	41%	0.406	20%	0.201	S	C	.	.	H	α-helix	trans	-63.5	-47.5	178.5	-58.6	0	0	0	0	110.6	S148 S149 L150 K155 Q156	S148-S152 PolarHBondContact O-N 2.9Å; S148-S152 PolarHBondContact O-OG 2.86Å; S149-S152 WeakPolarHBondContact O-CB 3.16Å; S149-S152 PolarHBondContact O-N 2.92Å; L150-S152 VanDerWaalsContact C-N 3.27Å; L150-S152 PolarHBondContact O-N 3.04Å; S152-K155 PolarHBondContact O-N 3.32Å; S152-Q156 WeakPolarHBondContact O-CB 3.35Å; S152-Q156 WeakPolarHBondContact O-CG 3.35Å; S152-Q156 PolarHBondContact O-N 3.28Å
153	F	98.8	Very high	98.7	Very high	12 Å²	12	36.1 Å²	36.1	5%	0.053	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-46.5	-179.2	-165	-89.5	0	0	0	112.3	V92 Q94 I100 Y104 L121 S149 L150 K155 Q156 N157	V92-F153 HydrophobicContact CB-CB 4.37Å; V92-F153 HydrophobicContact CB-CG 4.47Å; V92-F153 HydrophobicContact CG1-CB 4.24Å; V92-F153 HydrophobicContact CG1-CD1 3.98Å; V92-F153 HydrophobicContact CG1-CD2 4.45Å; V92-F153 HydrophobicContact CG1-CE1 4.47Å; V92-F153 HydrophobicContact CG1-CG 3.97Å; Q94-F153 HydrophobicContact CB-CZ 4.37Å; I100-F153 HydrophobicContact CD1-CE2 4.06Å; I100-F153 HydrophobicContact CD1-CZ 4.21Å; I100-F153 HydrophobicContact CG1-CZ 4.32Å; Y104-F153 AromaticContact CE2-CE1 3.74Å; Y104-F153 HydrophobicContact CE2-CE1 3.74Å; Y104-F153 AromaticContact CE2-CZ 3.78Å; Y104-F153 HydrophobicContact CE2-CZ 3.78Å; L121-F153 HydrophobicContact CD2-CD1 3.53Å; L121-F153 HydrophobicContact CD2-CE1 3.52Å; S149-F153 WeakPolarHBondContact O-CB 3.48Å; S149-F153 PolarHBondContact O-N 3.4Å; L150-F153 PolarHBondContact O-N 3.41Å; F153-K155 PolarHBondContact O-N 2.69Å; F153-Q156 PolarHBondContact O-N 3.18Å; F153-N157 WeakPolarHBondContact CE1-ND2 3.25Å; F153-N157 WeakPolarHBondContact CZ-ND2 3.33Å; F153-N157 WeakPolarHBondContact O-CB 3.39Å; F153-N157 PolarHBondContact O-N 2.85Å; F153-N157 PolarHBondContact O-ND2 3.39Å
154	L	98.8	Very high	98.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.8	-46.3	177.7	-67.8	171.4	0	0	0	111.6	L121 L150 N157 K158 F159 G161 F162 F188 L200	L121-L154 HydrophobicContact CB-CD2 3.64Å; L121-L154 HydrophobicContact CD2-CD2 4.03Å; L121-L154 HydrophobicContact CG-CD2 4.49Å; L150-L154 HydrophobicContact CD1-CD1 3.84Å; L150-L154 HydrophobicContact CD1-CD2 4.31Å; L150-L154 HydrophobicContact CD1-CG 3.92Å; L150-L154 HydrophobicContact CG-CD1 3.81Å; L150-L154 HydrophobicContact CG-CG 4.29Å; L150-L154 VanDerWaalsContact O-CG 3.25Å; L150-L154 WeakPolarHBondContact O-CG 3.23Å; L150-L154 PolarHBondContact O-N 2.79Å; L154-N157 CarbonylContact O-C 3.58Å; L154-N157 PolarHBondContact O-N 3.24Å; L154-K158 PolarHBondContact O-N 2.83Å; L154-F159 HydrophobicContact CB-CB 4.33Å; L154-F159 HydrophobicContact CD2-CB 3.7Å; L154-F159 HydrophobicContact CD2-CD2 4.24Å; L154-F159 HydrophobicContact CD2-CG 4.1Å; L154-F159 PolarHBondContact O-N 3.16Å; L154-G161 WeakPolarHBondContact CD2-O 3.25Å; L154-F162 HydrophobicContact CD1-CB 4.01Å; L154-F188 HydrophobicContact CD1-CE1 4.15Å; L154-F188 HydrophobicContact CD1-CZ 3.77Å; L154-L200 HydrophobicContact CB-CD1 4.42Å; L154-L200 HydrophobicContact CD1-CD1 4Å
155	K	97.9	Very high	98.7	Very high	84 Å²	84	33.5 Å²	33.5	37%	0.365	17%	0.17	S	C	.	.	H	α-helix	trans	-68.9	-41.5	-179.4	-78.1	-171.7	161.1	-166	0	113.2	V151 S152 F153 N157 K158 V191 S195	V151-K155 HydrophobicContact CG1-CD 4.43Å; V151-K155 WeakPolarHBondContact O-CB 3.36Å; V151-K155 WeakPolarHBondContact O-CG 3.08Å; V151-K155 PolarHBondContact O-N 2.87Å; S152-K155 PolarHBondContact O-N 3.32Å; F153-K155 PolarHBondContact O-N 2.69Å; K155-N157 VanDerWaalsContact C-N 3.28Å; K155-N157 PolarHBondContact O-N 3.14Å; K155-K158 PolarHBondContact O-N 2.85Å; K155-V191 HydrophobicContact CD-CG1 4.36Å; K155-S195 PolarHBondContact NZ-OG 3.48Å
156	Q	98.2	Very high	98.7	Very high	133 Å²	133	29.1 Å²	29.1	62%	0.621	15%	0.151	S	C	*	.	H	α-helix	trans	-60.1	-44	177.2	-74.8	168.6	9.7	0	0	110.1	S152 F153	S152-Q156 WeakPolarHBondContact O-CB 3.35Å; S152-Q156 WeakPolarHBondContact O-CG 3.35Å; S152-Q156 PolarHBondContact O-N 3.28Å; F153-Q156 PolarHBondContact O-N 3.18Å
157	N	98.7	Very high	98.7	Very high	21 Å²	21	30.6 Å²	30.6	11%	0.112	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	10.4	-175.8	-62.9	-57.2	0	0	0	115.2	Y104 F153 L154 K155 F159	Y104-N157 HydrophobicContact CD2-CB 3.83Å; Y104-N157 HydrophobicContact CE2-CB 4.32Å; F153-N157 WeakPolarHBondContact CE1-ND2 3.25Å; F153-N157 WeakPolarHBondContact CZ-ND2 3.33Å; F153-N157 WeakPolarHBondContact O-CB 3.39Å; F153-N157 PolarHBondContact O-N 2.85Å; F153-N157 PolarHBondContact O-ND2 3.39Å; L154-N157 CarbonylContact O-C 3.58Å; L154-N157 PolarHBondContact O-N 3.24Å; K155-N157 VanDerWaalsContact C-N 3.28Å; K155-N157 PolarHBondContact O-N 3.14Å; N157-F159 HydrophobicContact CB-CD2 3.72Å; N157-F159 HydrophobicContact CB-CE2 3.57Å; N157-F159 PolarHBondContact O-N 2.82Å
158	K	98.2	Very high	98.7	Very high	142 Å²	142	31.8 Å²	31.8	62%	0.617	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	26.6	171	-44.1	-57.6	175	-161.1	0	116.1	M108 L154 K155	M108-K158 WeakPolarHBondContact CE-O 3.49Å; M108-K158 VanDerWaalsContact SD-O 3.41Å; L154-K158 PolarHBondContact O-N 2.83Å; K155-K158 PolarHBondContact O-N 2.85Å
159	F	98.8	Very high	98.7	Very high	9 Å²	9	29 Å²	29	4%	0.039	14%	0.143	C	C	.	.			trans	-71.7	147.6	173.6	-70.9	-81.7	0	0	0	112.1	Y81 Y104 M108 V119 L121 L154 N157 L200	Y81-F159 HydrophobicContact CG-CE1 4.42Å; Y104-F159 HydrophobicContact CD1-CE2 4.5Å; Y104-F159 AromaticContact CD1-CZ 3.89Å; Y104-F159 HydrophobicContact CD1-CZ 3.89Å; Y104-F159 AromaticContact CD2-CE2 3.88Å; Y104-F159 HydrophobicContact CD2-CE2 3.88Å; Y104-F159 HydrophobicContact CD2-CZ 4.09Å; Y104-F159 HydrophobicContact CE1-CZ 4.09Å; Y104-F159 HydrophobicContact CE2-CE2 4.02Å; Y104-F159 HydrophobicContact CE2-CZ 4.26Å; Y104-F159 HydrophobicContact CG-CE2 4.13Å; Y104-F159 AromaticContact CG-CZ 3.9Å; Y104-F159 HydrophobicContact CG-CZ 3.9Å; M108-F159 HydrophobicContact CE-CB 4.32Å; M108-F159 HydrophobicContact CE-CD1 3.39Å; M108-F159 HydrophobicContact CE-CD2 4.2Å; M108-F159 HydrophobicContact CE-CE1 3.6Å; M108-F159 HydrophobicContact CE-CE2 4.38Å; M108-F159 HydrophobicContact CE-CG 3.72Å; M108-F159 HydrophobicContact CE-CZ 4.08Å; V119-F159 HydrophobicContact CG1-CD1 3.95Å; V119-F159 HydrophobicContact CG1-CE1 3.9Å; L121-F159 HydrophobicContact CB-CD1 3.71Å; L121-F159 HydrophobicContact CB-CD2 4.07Å; L121-F159 HydrophobicContact CB-CE1 3.8Å; L121-F159 HydrophobicContact CB-CE2 4.13Å; L121-F159 HydrophobicContact CB-CG 3.87Å; L121-F159 HydrophobicContact CB-CZ 4.02Å; L121-F159 HydrophobicContact CD1-CE1 4.05Å; L121-F159 HydrophobicContact CD1-CE2 4.14Å; L121-F159 HydrophobicContact CD1-CZ 3.69Å; L121-F159 HydrophobicContact CD2-CD2 4.25Å; L121-F159 HydrophobicContact CD2-CE2 4.01Å; L121-F159 HydrophobicContact CD2-CZ 4.4Å; L121-F159 HydrophobicContact CG-CE1 4.46Å; L121-F159 HydrophobicContact CG-CE2 4.34Å; L121-F159 HydrophobicContact CG-CZ 4.25Å; L154-F159 HydrophobicContact CB-CB 4.33Å; L154-F159 HydrophobicContact CD2-CB 3.7Å; L154-F159 HydrophobicContact CD2-CD2 4.24Å; L154-F159 HydrophobicContact CD2-CG 4.1Å; L154-F159 PolarHBondContact O-N 3.16Å; N157-F159 HydrophobicContact CB-CD2 3.72Å; N157-F159 HydrophobicContact CB-CE2 3.57Å; N157-F159 PolarHBondContact O-N 2.82Å; F159-L200 WeakPolarHBondContact O-CD2 3.28Å
160	D	98.8	Very high	98.7	Very high	40 Å²	40	32.5 Å²	32.5	21%	0.214	16%	0.156	C	C	.	.	S	Bend	trans	-89	-7.9	176.5	-56.1	-73.7	0	0	0	112.9	K111 K118 V119 L200 L201	K111-D160 WeakPolarHBondContact CE-OD2 3.25Å; K111-D160 VanDerWaalsContact NZ-CG 3.27Å; K111-D160 IonicContact NZ-OD1 3.96Å; K111-D160 PolarHBondContact NZ-OD1 3.39Å; K111-D160 IonicContact NZ-OD2 2.83Å; K111-D160 PolarHBondContact NZ-OD2 3.18Å; K118-D160 VanDerWaalsContact CA-OD2 3.3Å; K118-D160 WeakPolarHBondContact CA-OD2 3.41Å; K118-D160 HydrophobicContact CB-CB 4.14Å; K118-D160 HydrophobicContact CD-CB 4.04Å; V119-D160 PolarHBondContact N-OD2 2.88Å; V119-D160 PolarHBondContact O-N 3.31Å; D160-L200 CarbonylContact O-C 3.51Å; D160-L200 WeakPolarHBondContact O-CA 3.13Å; D160-L201 PolarHBondContact O-N 3.48Å
161	G	98.9	Very high	98.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-173.2	-177.9	0	0	0	0	0	114.2	L120 L121 L154 L201	L120-G161 WeakPolarHBondContact CA-O 3.21Å; L121-G161 PolarHBondContact N-O 3.19Å; L121-G161 VanDerWaalsContact N-O 3.09Å; L154-G161 WeakPolarHBondContact CD2-O 3.25Å; G161-L201 CarbonylContact C-O 3.44Å; G161-L201 WeakPolarHBondContact CA-O 3.18Å
162	F	99	Very high	98.6	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.2	-175.6	176.7	-125.2	0	0	0	110.7	L121 L123 F146 L150 L154 L164 I184 F188 L201 F202 T203	L121-F162 WeakPolarHBondContact O-CA 3.49Å; L121-F162 VanDerWaalsContact O-CD2 3.27Å; L121-F162 WeakPolarHBondContact O-CD2 3.33Å; L123-F162 HydrophobicContact CB-CE2 3.56Å; L123-F162 HydrophobicContact CB-CZ 3.98Å; L123-F162 HydrophobicContact CD2-CE2 4.34Å; L123-F162 HydrophobicContact CD2-CZ 4.27Å; F146-F162 HydrophobicContact CZ-CE1 4.43Å; F146-F162 HydrophobicContact CZ-CZ 4.1Å; L150-F162 HydrophobicContact CD1-CD2 3.66Å; L150-F162 HydrophobicContact CD1-CE2 3.9Å; L150-F162 HydrophobicContact CD1-CG 4.13Å; L150-F162 HydrophobicContact CD2-CB 4.45Å; L150-F162 HydrophobicContact CD2-CD1 3.66Å; L150-F162 HydrophobicContact CD2-CD2 4.08Å; L150-F162 HydrophobicContact CD2-CE1 3.86Å; L150-F162 HydrophobicContact CD2-CE2 4.27Å; L150-F162 HydrophobicContact CD2-CG 3.79Å; L150-F162 HydrophobicContact CD2-CZ 4.18Å; L150-F162 HydrophobicContact CG-CD2 4.47Å; L150-F162 HydrophobicContact CG-CG 4.49Å; L154-F162 HydrophobicContact CD1-CB 4.01Å; F162-L164 HydrophobicContact CE1-CB 3.73Å; F162-L164 HydrophobicContact CE1-CD1 4.19Å; F162-L164 HydrophobicContact CE1-CG 4.44Å; F162-L164 HydrophobicContact CZ-CB 3.97Å; F162-L164 HydrophobicContact CZ-CD1 3.92Å; F162-I184 HydrophobicContact CD1-CD1 4.33Å; F162-I184 HydrophobicContact CD1-CG2 4.4Å; F162-I184 HydrophobicContact CE1-CD1 3.95Å; F162-F188 HydrophobicContact CB-CE2 3.96Å; F162-F188 HydrophobicContact CB-CZ 3.76Å; F162-L201 PolarHBondContact N-O 3Å; F162-F202 HydrophobicContact CB-CD2 4.44Å; F162-F202 AromaticContact CD1-CD2 3.67Å; F162-F202 HydrophobicContact CD1-CD2 3.67Å; F162-F202 AromaticContact CD1-CE2 3.51Å; F162-F202 HydrophobicContact CD1-CE2 3.51Å; F162-F202 HydrophobicContact CE1-CD2 4.45Å; F162-F202 AromaticContact CE1-CE2 3.84Å; F162-F202 HydrophobicContact CE1-CE2 3.84Å; F162-F202 HydrophobicContact CG-CD2 4.47Å; F162-F202 WeakPolarHBondContact O-CA 3.17Å; F162-T203 PolarHBondContact O-N 2.83Å; F162-T203 PolarHBondContact O-OG1 2.88Å
163	D	99	Very high	98.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	119.4	173.5	-170.5	48.7	0	0	0	109.6	Y52 F80 L121 S122 L123 T203 A204	Y52-D163 WeakPolarHBondContact CE1-OD2 3.3Å; Y52-D163 PolarHBondContact OH-OD2 2.93Å; F80-D163 HydrophobicContact CD1-CB 3.84Å; F80-D163 HydrophobicContact CE1-CB 4.39Å; L121-D163 PolarHBondContact O-N 3.43Å; S122-D163 CarbonylContact C-O 3.52Å; S122-D163 VanDerWaalsContact CA-O 3.25Å; S122-D163 WeakPolarHBondContact CA-O 3.31Å; L123-D163 PolarHBondContact N-O 3.1Å; D163-T203 WeakPolarHBondContact CA-O 3.16Å; D163-T203 WeakPolarHBondContact CA-OG1 3.21Å; D163-T203 WeakPolarHBondContact CB-OG1 2.98Å; D163-T203 VanDerWaalsContact CG-OG1 3.29Å; D163-T203 VanDerWaalsContact OD1-C 3.32Å; D163-T203 WeakPolarHBondContact OD1-CB 3.24Å; D163-T203 PolarHBondContact OD1-OG1 2.94Å; D163-A204 WeakPolarHBondContact OD1-CA 3.42Å; D163-A204 PolarHBondContact OD1-N 3.12Å
164	L	98.9	Very high	98.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	109.3	-177	178	61.3	0	0	0	111.5	F133 F162 W166 Y177 L180 F202 T203 A204 A205	F133-L164 HydrophobicContact CE1-CD1 3.81Å; F133-L164 HydrophobicContact CZ-CD1 4.38Å; F162-L164 HydrophobicContact CE1-CB 3.73Å; F162-L164 HydrophobicContact CE1-CD1 4.19Å; F162-L164 HydrophobicContact CE1-CG 4.44Å; F162-L164 HydrophobicContact CZ-CB 3.97Å; F162-L164 HydrophobicContact CZ-CD1 3.92Å; L164-W166 HydrophobicContact CD1-CB 4.38Å; L164-Y177 HydrophobicContact CD2-CD2 4.43Å; L164-Y177 HydrophobicContact CD2-CE2 3.64Å; L164-Y177 HydrophobicContact CG-CE2 4.29Å; L164-L180 HydrophobicContact CD2-CD2 4.04Å; L164-F202 HydrophobicContact CB-CE2 4.12Å; L164-T203 PolarHBondContact N-O 3.24Å; L164-A204 HydrophobicContact CB-CB 4.24Å; L164-A204 VanDerWaalsContact O-CA 3.31Å; L164-A204 WeakPolarHBondContact O-CA 3.31Å; L164-A204 VanDerWaalsContact O-CB 3.31Å; L164-A204 WeakPolarHBondContact O-CB 3.42Å; L164-A205 PolarHBondContact O-N 3.5Å
165	D	98.8	Very high	98.6	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	50.4	-174	-67.2	9.4	0	0	0	110.4	Y52 F83 L123 G124 G125 E167 A205	Y52-D165 WeakPolarHBondContact CE1-OD2 3.46Å; F83-D165 HydrophobicContact CE1-CB 4.07Å; F83-D165 WeakPolarHBondContact CE1-OD2 3.34Å; L123-D165 CarbonylContact O-C 3.54Å; L123-D165 WeakPolarHBondContact O-CA 3.37Å; L123-D165 PolarHBondContact O-N 3.46Å; G124-D165 CarbonylContact C-O 3.53Å; G124-D165 WeakPolarHBondContact CA-O 3.47Å; G125-D165 PolarHBondContact N-O 2.94Å; D165-E167 PolarHBondContact O-N 3.27Å; D165-A205 HydrophobicContact CB-CB 4.21Å; D165-A205 WeakPolarHBondContact OD1-CB 3.43Å; D165-A205 PolarHBondContact OD1-N 2.78Å
166	W	98.8	Very high	98.7	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	23%	0.232	C	C	.	.			trans	-72.4	111.6	170.6	176.5	-2.3	0	0	0	109.2	F133 K134 A137 L164 Y168 P169 D173 Y177	F133-W166 HydrophobicContact CB-CD2 3.44Å; F133-W166 VanDerWaalsContact CB-CD2 3.44Å; F133-W166 HydrophobicContact CB-CE3 3.71Å; F133-W166 HydrophobicContact CB-CG 3.86Å; F133-W166 HydrophobicContact CB-CH2 4.12Å; F133-W166 HydrophobicContact CB-CZ2 3.89Å; F133-W166 HydrophobicContact CB-CZ3 4.04Å; F133-W166 HydrophobicContact CD1-CB 4.16Å; F133-W166 HydrophobicContact CD1-CD2 4.22Å; F133-W166 HydrophobicContact CD1-CE3 4.15Å; F133-W166 HydrophobicContact CD1-CG 4.22Å; F133-W166 HydrophobicContact CD2-CB 4Å; F133-W166 AromaticContact CD2-CD1 3.87Å; F133-W166 HydrophobicContact CD2-CD2 4.3Å; F133-W166 AromaticContact CD2-CG 3.78Å; F133-W166 HydrophobicContact CD2-CG 3.78Å; F133-W166 HydrophobicContact CE1-CB 4.24Å; F133-W166 HydrophobicContact CE2-CB 4.06Å; F133-W166 HydrophobicContact CE2-CG 4.35Å; F133-W166 HydrophobicContact CG-CB 4.05Å; F133-W166 AromaticContact CG-CD2 3.77Å; F133-W166 HydrophobicContact CG-CD2 3.77Å; F133-W166 HydrophobicContact CG-CE3 4.09Å; F133-W166 AromaticContact CG-CG 3.71Å; F133-W166 HydrophobicContact CG-CG 3.71Å; F133-W166 HydrophobicContact CZ-CB 4.19Å; K134-W166 HydrophobicContact CG-CH2 4.35Å; K134-W166 HydrophobicContact CG-CZ2 3.72Å; A137-W166 HydrophobicContact CB-CH2 4.12Å; A137-W166 HydrophobicContact CB-CZ3 3.79Å; L164-W166 HydrophobicContact CD1-CB 4.38Å; W166-Y168 VanDerWaalsContact NE1-C 3.26Å; W166-Y168 PolarHBondContact NE1-O 2.87Å; W166-Y168 VanDerWaalsContact NE1-O 3.13Å; W166-Y168 WeakPolarHBondContact O-CA 3.3Å; W166-P169 HydrophobicContact CD2-CB 4.39Å; W166-P169 HydrophobicContact CZ2-CB 4.35Å; W166-P169 WeakPolarHBondContact O-CD 3.36Å; W166-D173 HydrophobicContact CH2-CB 3.64Å; W166-D173 HydrophobicContact CZ2-CB 3.83Å; W166-Y177 HydrophobicContact CB-CE2 4.31Å; W166-Y177 HydrophobicContact CD2-CD2 4.25Å; W166-Y177 AromaticContact CE3-CD2 3.55Å; W166-Y177 HydrophobicContact CE3-CD2 3.55Å; W166-Y177 HydrophobicContact CE3-CE2 4.11Å; W166-Y177 AromaticContact CZ3-CD2 3.97Å; W166-Y177 HydrophobicContact CZ3-CD2 3.97Å
167	E	98.4	Very high	98.7	Very high	30 Å²	30	39.3 Å²	39.3	14%	0.14	20%	0.203	C	C	.	.	S	Bend	trans	-107.9	88.5	179.8	-64.2	-165.7	-118.7	0	0	113.4	G125 W126 T130 D165 M232	G125-E167 VanDerWaalsContact CA-OE1 3.3Å; G125-E167 WeakPolarHBondContact CA-OE1 3.5Å; W126-E167 PolarHBondContact N-OE1 3.44Å; T130-E167 VanDerWaalsContact CG2-O 3.25Å; T130-E167 WeakPolarHBondContact CG2-O 3.32Å; D165-E167 PolarHBondContact O-N 3.27Å; E167-M232 HydrophobicContact CG-CE 4.05Å
168	Y	98.8	Very high	98.7	Very high	33 Å²	33	39.4 Å²	39.4	13%	0.129	20%	0.203	C	C	.	.			cis	-137	155.3	-1	-63.4	-78.2	0	0	0	110.3	W166 E170 K212 Y217 M232	W166-Y168 VanDerWaalsContact NE1-C 3.26Å; W166-Y168 PolarHBondContact NE1-O 2.87Å; W166-Y168 VanDerWaalsContact NE1-O 3.13Å; W166-Y168 WeakPolarHBondContact O-CA 3.3Å; Y168-E170 PolarHBondContact O-N 3.32Å; Y168-K212 HydrophobicContact CD2-CD 3.73Å; Y168-K212 HydrophobicContact CE2-CD 4.18Å; Y168-K212 VanDerWaalsContact CE2-NZ 3.33Å; Y168-K212 HydrophobicContact CG-CD 4.11Å; Y168-Y217 VanDerWaalsContact CD1-OH 3.23Å; Y168-Y217 WeakPolarHBondContact CD1-OH 3.14Å; Y168-M232 HydrophobicContact CE1-CE 3.4Å; Y168-M232 VanDerWaalsContact CE1-CE 3.4Å; Y168-M232 WeakPolarHBondContact OH-CE 3.25Å
169	P	98.7	Very high	98.8	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.013	19%	0.189	C	C	.	.			trans	-60.3	134.8	165.2	26.9	-34.1	0	0	0	109.6	W166 D173 Y177 G216 Y217	W166-P169 HydrophobicContact CD2-CB 4.39Å; W166-P169 HydrophobicContact CZ2-CB 4.35Å; W166-P169 WeakPolarHBondContact O-CD 3.36Å; P169-D173 HydrophobicContact CB-CB 4.12Å; P169-Y177 HydrophobicContact CB-CD2 3.77Å; P169-Y177 HydrophobicContact CB-CG 3.99Å; P169-Y177 HydrophobicContact CG-CD1 4.5Å; P169-Y177 HydrophobicContact CG-CD2 3.68Å; P169-Y177 HydrophobicContact CG-CE2 3.96Å; P169-Y177 HydrophobicContact CG-CG 3.98Å; P169-G216 WeakPolarHBondContact O-CA 3.37Å; P169-Y217 HydrophobicContact CG-CD1 4.37Å; P169-Y217 HydrophobicContact CG-CD2 4.47Å; P169-Y217 HydrophobicContact CG-CE1 3.9Å; P169-Y217 HydrophobicContact CG-CE2 4.07Å
170	E	98.5	Very high	98.8	Very high	100 Å²	100	35.1 Å²	35.1	47%	0.467	19%	0.187	S	C	.	.			trans	-102.8	-178.8	176.4	-66.5	167.7	-169.3	0	0	110.7	K134 Y168 S172 D173 K174	K134-E170 VanDerWaalsContact NZ-CD 3.29Å; K134-E170 IonicContact NZ-OE1 3.49Å; K134-E170 IonicContact NZ-OE2 3.1Å; K134-E170 PolarHBondContact NZ-OE2 3.36Å; Y168-E170 PolarHBondContact O-N 3.32Å; E170-S172 PolarHBondContact O-N 3.06Å; E170-S172 VanDerWaalsContact O-N 3.14Å; E170-D173 PolarHBondContact N-OD2 3.17Å; E170-D173 WeakPolarHBondContact O-CA 3.26Å; E170-D173 WeakPolarHBondContact O-CB 3.5Å; E170-D173 PolarHBondContact O-N 3.12Å; E170-K174 PolarHBondContact O-N 2.93Å; E170-K174 VanDerWaalsContact O-N 3.11Å
171	S	98.5	Very high	98.8	Very high	93 Å²	93	33.2 Å²	33.2	65%	0.65	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-35.4	179.7	-53.1	0	0	0	0	113.8	D173 A215	S171-D173 PolarHBondContact O-N 2.94Å; S171-A215 WeakPolarHBondContact CA-O 3.45Å; S171-A215 WeakPolarHBondContact OG-CB 3.38Å
172	S	98.4	Very high	98.8	Very high	84 Å²	84	37.2 Å²	37.2	59%	0.587	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-17.3	176.3	60.1	0	0	0	0	113.8	E170	E170-S172 PolarHBondContact O-N 3.06Å; E170-S172 VanDerWaalsContact O-N 3.14Å
173	D	98.8	Very high	98.8	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.053	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-14.6	-169.4	-45.8	-39.4	0	0	0	112	K134 W166 P169 E170 S171 E175 N176 Y177	K134-D173 WeakPolarHBondContact CE-OD2 3.47Å; K134-D173 IonicContact NZ-OD1 3.6Å; K134-D173 PolarHBondContact NZ-OD1 2.87Å; K134-D173 IonicContact NZ-OD2 2.83Å; K134-D173 PolarHBondContact NZ-OD2 3.01Å; W166-D173 HydrophobicContact CH2-CB 3.64Å; W166-D173 HydrophobicContact CZ2-CB 3.83Å; P169-D173 HydrophobicContact CB-CB 4.12Å; E170-D173 PolarHBondContact N-OD2 3.17Å; E170-D173 WeakPolarHBondContact O-CA 3.26Å; E170-D173 WeakPolarHBondContact O-CB 3.5Å; E170-D173 PolarHBondContact O-N 3.12Å; S171-D173 PolarHBondContact O-N 2.94Å; D173-E175 VanDerWaalsContact C-N 3.33Å; D173-E175 PolarHBondContact O-N 3.35Å; D173-N176 CarbonylContact O-C 3.51Å; D173-N176 WeakPolarHBondContact O-CA 3.34Å; D173-N176 WeakPolarHBondContact O-CB 3.48Å; D173-N176 PolarHBondContact O-N 3.44Å; D173-Y177 WeakPolarHBondContact O-CB 3.46Å; D173-Y177 PolarHBondContact O-N 3.4Å
174	K	98.8	Very high	98.8	Very high	59 Å²	59	39.6 Å²	39.6	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-47.4	-50.4	-174.1	-174.1	173.4	-171.7	156.2	0	114.1	E170 L178 D214 A215 Y217	E170-K174 PolarHBondContact O-N 2.93Å; E170-K174 VanDerWaalsContact O-N 3.11Å; K174-L178 PolarHBondContact O-N 3.13Å; K174-L178 VanDerWaalsContact O-N 3.16Å; K174-D214 PolarHBondContact NZ-O 2.94Å; K174-A215 WeakPolarHBondContact CB-O 3.42Å; K174-A215 WeakPolarHBondContact CD-O 3.15Å; K174-Y217 VanDerWaalsContact CE-C 3.48Å; K174-Y217 VanDerWaalsContact CE-O 3.3Å; K174-Y217 WeakPolarHBondContact CE-O 3.36Å; K174-Y217 PolarHBondContact NZ-O 3.23Å
175	E	98.8	Very high	98.8	Very high	157 Å²	157	40.6 Å²	40.6	73%	0.734	21%	0.212	S	C	*	.	H	α-helix	trans	-68.3	-40.7	178.6	-66.3	-178.7	-176.5	0	0	111.6	D173 L178 L179	D173-E175 VanDerWaalsContact C-N 3.33Å; D173-E175 PolarHBondContact O-N 3.35Å; E175-L178 PolarHBondContact O-N 2.98Å; E175-L179 WeakPolarHBondContact O-CG 3.27Å; E175-L179 PolarHBondContact O-N 3.09Å
176	N	98.9	Very high	98.8	Very high	40 Å²	40	43 Å²	43	21%	0.214	23%	0.232	C	C	.	.	H	α-helix	trans	-68.7	-35.3	179.5	-72.2	-38.7	0	0	0	112.5	A137 D173 L179 L180	A137-N176 HydrophobicContact CB-CB 3.93Å; A137-N176 PolarHBondContact O-OD1 2.89Å; D173-N176 CarbonylContact O-C 3.51Å; D173-N176 WeakPolarHBondContact O-CA 3.34Å; D173-N176 WeakPolarHBondContact O-CB 3.48Å; D173-N176 PolarHBondContact O-N 3.44Å; N176-L179 PolarHBondContact O-N 3.28Å; N176-L180 VanDerWaalsContact O-CB 3.28Å; N176-L180 WeakPolarHBondContact O-CB 3.48Å; N176-L180 PolarHBondContact O-N 3.33Å
177	Y	98.9	Very high	98.8	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-46	173.1	-173.8	-89.8	0	0	0	110.3	L164 W166 P169 D173 L180 C181 Y217 L222	L164-Y177 HydrophobicContact CD2-CD2 4.43Å; L164-Y177 HydrophobicContact CD2-CE2 3.64Å; L164-Y177 HydrophobicContact CG-CE2 4.29Å; W166-Y177 HydrophobicContact CB-CE2 4.31Å; W166-Y177 HydrophobicContact CD2-CD2 4.25Å; W166-Y177 AromaticContact CE3-CD2 3.55Å; W166-Y177 HydrophobicContact CE3-CD2 3.55Å; W166-Y177 HydrophobicContact CE3-CE2 4.11Å; W166-Y177 AromaticContact CZ3-CD2 3.97Å; W166-Y177 HydrophobicContact CZ3-CD2 3.97Å; P169-Y177 HydrophobicContact CB-CD2 3.77Å; P169-Y177 HydrophobicContact CB-CG 3.99Å; P169-Y177 HydrophobicContact CG-CD1 4.5Å; P169-Y177 HydrophobicContact CG-CD2 3.68Å; P169-Y177 HydrophobicContact CG-CE2 3.96Å; P169-Y177 HydrophobicContact CG-CG 3.98Å; D173-Y177 WeakPolarHBondContact O-CB 3.46Å; D173-Y177 PolarHBondContact O-N 3.4Å; Y177-L180 WeakPolarHBondContact O-CB 3.25Å; Y177-L180 PolarHBondContact O-N 3.02Å; Y177-C181 PolarHBondContact O-N 3.38Å; Y177-C181 PolarHBondContact O-SG 2.65Å; Y177-C181 VanDerWaalsContact O-SG 3.35Å; Y177-Y217 HydrophobicContact CE1-CD1 4.06Å; Y177-Y217 HydrophobicContact CE1-CE1 4.21Å; Y177-L222 HydrophobicContact CD1-CD1 4.02Å; Y177-L222 HydrophobicContact CD1-CD2 3.91Å; Y177-L222 HydrophobicContact CE1-CD1 3.77Å; Y177-L222 HydrophobicContact CE1-CD2 3.74Å; Y177-L222 HydrophobicContact CE1-CG 4.43Å
178	L	98.9	Very high	98.8	Very high	22 Å²	22	44.1 Å²	44.1	12%	0.115	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-47.9	174.8	175.9	60.3	0	0	0	112.1	K174 E175 L180 C181 Q182 D218 A221 L222	K174-L178 PolarHBondContact O-N 3.13Å; K174-L178 VanDerWaalsContact O-N 3.16Å; E175-L178 PolarHBondContact O-N 2.98Å; L178-L180 VanDerWaalsContact C-N 3.31Å; L178-L180 PolarHBondContact O-N 3.3Å; L178-C181 PolarHBondContact O-N 2.98Å; L178-Q182 HydrophobicContact CD1-CG 4.08Å; L178-Q182 HydrophobicContact CG-CG 4.44Å; L178-Q182 WeakPolarHBondContact O-CG 3.28Å; L178-Q182 PolarHBondContact O-N 3.12Å; L178-D218 HydrophobicContact CD2-CB 4.14Å; L178-A221 HydrophobicContact CD1-CB 3.5Å; L178-A221 HydrophobicContact CD2-CB 3.65Å; L178-A221 HydrophobicContact CG-CB 4.23Å; L178-L222 HydrophobicContact CD1-CD2 4.16Å; L178-L222 HydrophobicContact CD1-CG 4.37Å
179	L	98.9	Very high	98.8	Very high	62 Å²	62	46.3 Å²	46.3	33%	0.325	25%	0.248	S	C	.	.	H	α-helix	trans	-59.5	-43.4	178.1	-73.3	170.9	0	0	0	111.4	E175 N176 C181 Q182 E183	E175-L179 WeakPolarHBondContact O-CG 3.27Å; E175-L179 PolarHBondContact O-N 3.09Å; N176-L179 PolarHBondContact O-N 3.28Å; L179-C181 PolarHBondContact O-N 2.91Å; L179-Q182 PolarHBondContact O-N 3.32Å; L179-E183 WeakPolarHBondContact O-CB 3.5Å; L179-E183 VanDerWaalsContact O-CG 3.24Å; L179-E183 WeakPolarHBondContact O-CG 3.46Å; L179-E183 PolarHBondContact O-N 2.88Å
180	L	98.9	Very high	98.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.7	-50.2	174.7	175.3	64.6	0	0	0	111.5	M136 R143 F146 L164 N176 Y177 L178 Q182 E183 I184	M136-L180 HydrophobicContact CE-CD1 4.01Å; M136-L180 HydrophobicContact CE-CD2 3.64Å; M136-L180 HydrophobicContact CE-CG 4.49Å; M136-L180 HydrophobicContact SD-CD1 3.77Å; M136-L180 HydrophobicContact SD-CD2 4.3Å; R143-L180 HydrophobicContact CB-CD1 4.46Å; R143-L180 HydrophobicContact CG-CD1 4.19Å; F146-L180 HydrophobicContact CD1-CD1 3.82Å; F146-L180 HydrophobicContact CE1-CD1 3.94Å; L164-L180 HydrophobicContact CD2-CD2 4.04Å; N176-L180 VanDerWaalsContact O-CB 3.28Å; N176-L180 WeakPolarHBondContact O-CB 3.48Å; N176-L180 PolarHBondContact O-N 3.33Å; Y177-L180 WeakPolarHBondContact O-CB 3.25Å; Y177-L180 PolarHBondContact O-N 3.02Å; L178-L180 VanDerWaalsContact C-N 3.31Å; L178-L180 PolarHBondContact O-N 3.3Å; L180-Q182 PolarHBondContact O-N 3.44Å; L180-E183 PolarHBondContact O-N 2.95Å; L180-I184 HydrophobicContact CD1-CD1 3.82Å; L180-I184 HydrophobicContact CD1-CG1 4.18Å; L180-I184 HydrophobicContact CG-CD1 3.78Å; L180-I184 WeakPolarHBondContact O-CB 3.47Å; L180-I184 WeakPolarHBondContact O-CD1 3.45Å; L180-I184 VanDerWaalsContact O-CG1 3.23Å; L180-I184 WeakPolarHBondContact O-CG1 3.43Å; L180-I184 PolarHBondContact O-N 3.33Å
181	C	98.9	Very high	98.7	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-42.7	179.4	-67.8	0	0	0	0	112.6	Y177 L178 L179 I184 L185 F202 L222 V225	Y177-C181 PolarHBondContact O-N 3.38Å; Y177-C181 PolarHBondContact O-SG 2.65Å; Y177-C181 VanDerWaalsContact O-SG 3.35Å; L178-C181 PolarHBondContact O-N 2.98Å; L179-C181 PolarHBondContact O-N 2.91Å; C181-I184 PolarHBondContact O-N 2.8Å; C181-L185 PolarHBondContact O-N 2.89Å; C181-F202 HydrophobicContact CB-CE1 3.78Å; C181-F202 HydrophobicContact CB-CZ 4.02Å; C181-F202 WeakPolarHBondContact O-CE1 3.48Å; C181-L222 HydrophobicContact CB-CD2 3.82Å; C181-V225 HydrophobicContact CB-CG2 3.79Å
182	Q	98.9	Very high	98.7	Very high	83 Å²	83	43.1 Å²	43.1	39%	0.388	23%	0.226	S	C	.	.	H	α-helix	trans	-61.3	-45	176.7	-74.9	173.2	-13.3	0	0	111.9	L178 L179 L180 L185 A186 V225	L178-Q182 HydrophobicContact CD1-CG 4.08Å; L178-Q182 HydrophobicContact CG-CG 4.44Å; L178-Q182 WeakPolarHBondContact O-CG 3.28Å; L178-Q182 PolarHBondContact O-N 3.12Å; L179-Q182 PolarHBondContact O-N 3.32Å; L180-Q182 PolarHBondContact O-N 3.44Å; Q182-L185 PolarHBondContact O-N 3.31Å; Q182-A186 WeakPolarHBondContact O-CB 3.3Å; Q182-A186 PolarHBondContact O-N 3.23Å; Q182-V225 HydrophobicContact CG-CG1 3.9Å
183	E	98.9	Very high	98.6	Very high	51 Å²	51	46.7 Å²	46.7	24%	0.238	23%	0.23	C	C	.	.	H	α-helix	trans	-70.1	-36.4	-179.4	-70.4	171.5	-166.7	0	0	112.2	R143 I147 L179 L180 K187	R143-E183 VanDerWaalsContact CB-OE2 3.23Å; R143-E183 WeakPolarHBondContact CB-OE2 3.38Å; R143-E183 IonicContact CZ-OE1 3.7Å; R143-E183 IonicContact CZ-OE2 2.67Å; R143-E183 VanDerWaalsContact NE-CD 3.27Å; R143-E183 IonicContact NE-OE1 3.31Å; R143-E183 PolarHBondContact NE-OE1 3.21Å; R143-E183 IonicContact NE-OE2 3.55Å; R143-E183 PolarHBondContact NE-OE2 3.48Å; R143-E183 IonicContact NH2-OE1 3.75Å; R143-E183 PolarHBondContact NH2-OE1 3.17Å; R143-E183 IonicContact NH2-OE2 2.64Å; I147-E183 HydrophobicContact CD1-CB 3.48Å; I147-E183 VanDerWaalsContact CD1-CB 3.48Å; L179-E183 WeakPolarHBondContact O-CB 3.5Å; L179-E183 VanDerWaalsContact O-CG 3.24Å; L179-E183 WeakPolarHBondContact O-CG 3.46Å; L179-E183 PolarHBondContact O-N 2.88Å; L180-E183 PolarHBondContact O-N 2.95Å; E183-K187 WeakPolarHBondContact O-CB 3.18Å; E183-K187 PolarHBondContact O-N 2.88Å
184	I	98.9	Very high	98.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-53.6	172	-71.7	162.9	0	0	0	110.1	F146 I147 F162 L180 C181 A186 K187 F188 F202	F146-I184 HydrophobicContact CE1-CD1 4.16Å; I147-I184 HydrophobicContact CD1-CG1 4.06Å; I147-I184 HydrophobicContact CG1-CG1 3.77Å; F162-I184 HydrophobicContact CD1-CD1 4.33Å; F162-I184 HydrophobicContact CD1-CG2 4.4Å; F162-I184 HydrophobicContact CE1-CD1 3.95Å; L180-I184 HydrophobicContact CD1-CD1 3.82Å; L180-I184 HydrophobicContact CD1-CG1 4.18Å; L180-I184 HydrophobicContact CG-CD1 3.78Å; L180-I184 WeakPolarHBondContact O-CB 3.47Å; L180-I184 WeakPolarHBondContact O-CD1 3.45Å; L180-I184 VanDerWaalsContact O-CG1 3.23Å; L180-I184 WeakPolarHBondContact O-CG1 3.43Å; L180-I184 PolarHBondContact O-N 3.33Å; C181-I184 PolarHBondContact O-N 2.8Å; I184-A186 VanDerWaalsContact C-N 3.35Å; I184-A186 PolarHBondContact O-N 2.99Å; I184-K187 PolarHBondContact O-N 3.22Å; I184-F188 HydrophobicContact CG2-CD1 4.37Å; I184-F188 HydrophobicContact CG2-CD2 4.16Å; I184-F188 HydrophobicContact CG2-CE1 4.06Å; I184-F188 HydrophobicContact CG2-CE2 3.83Å; I184-F188 HydrophobicContact CG2-CG 4.44Å; I184-F188 HydrophobicContact CG2-CZ 3.78Å; I184-F188 WeakPolarHBondContact O-CG 3.37Å; I184-F188 PolarHBondContact O-N 3.03Å; I184-F202 HydrophobicContact CB-CD1 4.34Å; I184-F202 HydrophobicContact CB-CE1 3.9Å; I184-F202 HydrophobicContact CB-CZ 4Å; I184-F202 HydrophobicContact CD1-CE1 4.35Å; I184-F202 HydrophobicContact CD1-CE2 3.98Å; I184-F202 HydrophobicContact CD1-CZ 3.61Å; I184-F202 HydrophobicContact CG1-CZ 4.43Å; I184-F202 HydrophobicContact CG2-CD1 3.81Å; I184-F202 HydrophobicContact CG2-CD2 3.93Å; I184-F202 HydrophobicContact CG2-CE1 3.79Å; I184-F202 HydrophobicContact CG2-CE2 3.93Å; I184-F202 HydrophobicContact CG2-CG 3.88Å; I184-F202 HydrophobicContact CG2-CZ 3.85Å
185	L	98.8	Very high	98.2	Very high	21 Å²	21	49.9 Å²	49.9	11%	0.11	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-46.1	-178.5	177.7	64.9	0	0	0	111	C181 Q182 K187 F188 E189 F202 V225	C181-L185 PolarHBondContact O-N 2.89Å; Q182-L185 PolarHBondContact O-N 3.31Å; L185-K187 VanDerWaalsContact C-N 3.26Å; L185-K187 PolarHBondContact O-N 3.47Å; L185-F188 PolarHBondContact O-N 2.84Å; L185-F188 VanDerWaalsContact O-N 3.1Å; L185-E189 HydrophobicContact CD1-CG 4.34Å; L185-E189 HydrophobicContact CG-CG 4.47Å; L185-E189 WeakPolarHBondContact O-CG 3.49Å; L185-E189 PolarHBondContact O-N 3.23Å; L185-F202 HydrophobicContact CB-CD1 4.39Å; L185-V225 HydrophobicContact CB-CB 4.36Å; L185-V225 HydrophobicContact CD2-CB 3.9Å; L185-V225 HydrophobicContact CD2-CG1 4.12Å
186	A	98.8	Very high	98	Very high	54 Å²	54	48 Å²	48	45%	0.446	27%	0.266	S	S	.	.	H	α-helix	trans	-56.8	-42.7	178.3	0	0	0	0	0	111.4	Q182 I184 E189 E190	Q182-A186 WeakPolarHBondContact O-CB 3.3Å; Q182-A186 PolarHBondContact O-N 3.23Å; I184-A186 VanDerWaalsContact C-N 3.35Å; I184-A186 PolarHBondContact O-N 2.99Å; A186-E189 PolarHBondContact O-N 2.58Å; A186-E190 WeakPolarHBondContact O-CB 3.36Å; A186-E190 PolarHBondContact O-N 2.89Å
187	K	98.8	Very high	97.8	Very high	54 Å²	54	49.7 Å²	49.7	24%	0.235	28%	0.277	C	S	.	.	H	α-helix	trans	-68.2	-39.5	176.6	-170.2	58.8	166.2	-179.3	0	112.3	I147 V151 E183 I184 L185 E189 E190 V191	I147-K187 HydrophobicContact CG2-CB 3.54Å; I147-K187 HydrophobicContact CG2-CG 3.63Å; V151-K187 HydrophobicContact CG2-CG 3.95Å; E183-K187 WeakPolarHBondContact O-CB 3.18Å; E183-K187 PolarHBondContact O-N 2.88Å; I184-K187 PolarHBondContact O-N 3.22Å; L185-K187 VanDerWaalsContact C-N 3.26Å; L185-K187 PolarHBondContact O-N 3.47Å; K187-E189 VanDerWaalsContact C-N 3.32Å; K187-E189 PolarHBondContact O-N 3.46Å; K187-E190 HydrophobicContact CD-CB 4.46Å; K187-E190 WeakPolarHBondContact CD-OE2 3.31Å; K187-E190 IonicContact NZ-OE1 3.19Å; K187-E190 PolarHBondContact NZ-OE1 2.95Å; K187-E190 IonicContact NZ-OE2 3.29Å; K187-E190 PolarHBondContact NZ-OE2 2.9Å; K187-E190 PolarHBondContact O-N 3.18Å; K187-V191 HydrophobicContact CD-CG2 4.1Å; K187-V191 HydrophobicContact CG-CG2 4.14Å; K187-V191 VanDerWaalsContact O-CB 3.29Å; K187-V191 WeakPolarHBondContact O-CB 3.41Å; K187-V191 WeakPolarHBondContact O-CG2 3.32Å; K187-V191 PolarHBondContact O-N 2.8Å
188	F	98.8	Very high	97.6	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	32%	0.316	C	S	.	.	H	α-helix	trans	-61.6	-41.6	176.2	-74.6	4	0	0	0	111.6	L150 V151 L154 F162 I184 L185 A192 R199 L200 L201 F202	L150-F188 HydrophobicContact CD2-CZ 4.35Å; V151-F188 HydrophobicContact CG2-CD1 3.94Å; V151-F188 HydrophobicContact CG2-CE1 3.77Å; L154-F188 HydrophobicContact CD1-CE1 4.15Å; L154-F188 HydrophobicContact CD1-CZ 3.77Å; F162-F188 HydrophobicContact CB-CE2 3.96Å; F162-F188 HydrophobicContact CB-CZ 3.76Å; I184-F188 HydrophobicContact CG2-CD1 4.37Å; I184-F188 HydrophobicContact CG2-CD2 4.16Å; I184-F188 HydrophobicContact CG2-CE1 4.06Å; I184-F188 HydrophobicContact CG2-CE2 3.83Å; I184-F188 HydrophobicContact CG2-CG 4.44Å; I184-F188 HydrophobicContact CG2-CZ 3.78Å; I184-F188 WeakPolarHBondContact O-CG 3.37Å; I184-F188 PolarHBondContact O-N 3.03Å; L185-F188 PolarHBondContact O-N 2.84Å; L185-F188 VanDerWaalsContact O-N 3.1Å; F188-A192 VanDerWaalsContact O-CB 3.31Å; F188-A192 WeakPolarHBondContact O-CB 3.15Å; F188-A192 PolarHBondContact O-N 3.03Å; F188-R199 HydrophobicContact CB-CG 3.84Å; F188-L200 HydrophobicContact CB-CB 4.4Å; F188-L200 HydrophobicContact CD1-CB 4.28Å; F188-L200 HydrophobicContact CD1-CD1 3.94Å; F188-L200 HydrophobicContact CD2-CB 3.55Å; F188-L200 WeakPolarHBondContact CD2-O 3.18Å; F188-L200 HydrophobicContact CE1-CB 4.43Å; F188-L200 HydrophobicContact CE1-CD1 3.82Å; F188-L200 HydrophobicContact CE2-CB 3.72Å; F188-L200 HydrophobicContact CG-CB 3.84Å; F188-L200 HydrophobicContact CG-CD1 4.34Å; F188-L200 HydrophobicContact CZ-CB 4.17Å; F188-L200 HydrophobicContact CZ-CD1 4.12Å; F188-L201 WeakPolarHBondContact CE2-O 3.36Å; F188-F202 HydrophobicContact CD2-CB 4.08Å; F188-F202 HydrophobicContact CE2-CB 3.99Å; F188-F202 HydrophobicContact CE2-CG 4.43Å
189	E	98.5	Very high	97.6	Very high	78 Å²	78	57.6 Å²	57.6	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-64.9	-44.2	174.2	-72.9	-176.4	170.7	0	0	113	L185 A186 K187 V191 A192 K193	L185-E189 HydrophobicContact CD1-CG 4.34Å; L185-E189 HydrophobicContact CG-CG 4.47Å; L185-E189 WeakPolarHBondContact O-CG 3.49Å; L185-E189 PolarHBondContact O-N 3.23Å; A186-E189 PolarHBondContact O-N 2.58Å; K187-E189 VanDerWaalsContact C-N 3.32Å; K187-E189 PolarHBondContact O-N 3.46Å; E189-V191 VanDerWaalsContact C-N 3.33Å; E189-A192 PolarHBondContact O-N 2.97Å; E189-K193 VanDerWaalsContact O-CG 3.29Å; E189-K193 WeakPolarHBondContact O-CG 3.35Å; E189-K193 PolarHBondContact O-N 2.91Å
190	E	98.3	Very high	97.6	Very high	104 Å²	104	55.7 Å²	55.7	49%	0.486	31%	0.313	S	S	.	.	H	α-helix	trans	-57.9	-48.8	175.7	-174.3	-155.2	133.3	0	0	110.6	A186 K187 A192 K193 S194	A186-E190 WeakPolarHBondContact O-CB 3.36Å; A186-E190 PolarHBondContact O-N 2.89Å; K187-E190 HydrophobicContact CD-CB 4.46Å; K187-E190 WeakPolarHBondContact CD-OE2 3.31Å; K187-E190 IonicContact NZ-OE1 3.19Å; K187-E190 PolarHBondContact NZ-OE1 2.95Å; K187-E190 IonicContact NZ-OE2 3.29Å; K187-E190 PolarHBondContact NZ-OE2 2.9Å; K187-E190 PolarHBondContact O-N 3.18Å; E190-A192 PolarHBondContact O-N 3.31Å; E190-K193 PolarHBondContact O-N 3.22Å; E190-S194 PolarHBondContact O-N 3.18Å; E190-S194 PolarHBondContact O-OG 3.47Å
191	V	97.3	Very high	97.6	Very high	12 Å²	12	57.3 Å²	57.3	7%	0.073	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-44.5	-178.7	170.8	0	0	0	0	110.7	V151 K155 K187 E189 K193 S194 S195	V151-V191 HydrophobicContact CG1-CG1 4.27Å; V151-V191 HydrophobicContact CG1-CG2 3.89Å; K155-V191 HydrophobicContact CD-CG1 4.36Å; K187-V191 HydrophobicContact CD-CG2 4.1Å; K187-V191 HydrophobicContact CG-CG2 4.14Å; K187-V191 VanDerWaalsContact O-CB 3.29Å; K187-V191 WeakPolarHBondContact O-CB 3.41Å; K187-V191 WeakPolarHBondContact O-CG2 3.32Å; K187-V191 PolarHBondContact O-N 2.8Å; E189-V191 VanDerWaalsContact C-N 3.33Å; V191-K193 VanDerWaalsContact C-N 3.34Å; V191-K193 PolarHBondContact O-N 3.09Å; V191-S194 WeakPolarHBondContact CA-OG 3.3Å; V191-S194 PolarHBondContact O-N 2.99Å; V191-S194 PolarHBondContact O-OG 3.21Å; V191-S195 PolarHBondContact O-N 3.01Å; V191-S195 PolarHBondContact O-OG 3.39Å
192	A	97.8	Very high	97.6	Very high	13 Å²	13	57.3 Å²	57.3	11%	0.107	32%	0.322	C	S	.	.	H	α-helix	trans	-56.9	-46.5	176.2	0	0	0	0	0	112.3	F188 E189 E190 S196 T197 R199	F188-A192 VanDerWaalsContact O-CB 3.31Å; F188-A192 WeakPolarHBondContact O-CB 3.15Å; F188-A192 PolarHBondContact O-N 3.03Å; E189-A192 PolarHBondContact O-N 2.97Å; E190-A192 PolarHBondContact O-N 3.31Å; A192-S196 PolarHBondContact O-N 3Å; A192-T197 WeakPolarHBondContact CB-O 3.43Å; A192-T197 PolarHBondContact O-N 2.92Å; A192-R199 HydrophobicContact CB-CB 4.01Å; A192-R199 HydrophobicContact CB-CG 4.49Å
193	K	97	Very high	97.6	Very high	158 Å²	158	53.4 Å²	53.4	69%	0.687	30%	0.303	S	S	*	.	H	α-helix	trans	-62.2	-43.8	176.2	-70	166.6	-172.2	164.3	0	111.5	E189 E190 V191	E189-K193 VanDerWaalsContact O-CG 3.29Å; E189-K193 WeakPolarHBondContact O-CG 3.35Å; E189-K193 PolarHBondContact O-N 2.91Å; E190-K193 PolarHBondContact O-N 3.22Å; V191-K193 VanDerWaalsContact C-N 3.34Å; V191-K193 PolarHBondContact O-N 3.09Å
194	S	95.9	Very high	97.6	Very high	91 Å²	91	51 Å²	51	64%	0.636	29%	0.292	S	S	*	.	H	α-helix	trans	-69.8	-31.6	-177.8	71.6	0	0	0	0	114.5	E190 V191	E190-S194 PolarHBondContact O-N 3.18Å; E190-S194 PolarHBondContact O-OG 3.47Å; V191-S194 WeakPolarHBondContact CA-OG 3.3Å; V191-S194 PolarHBondContact O-N 2.99Å; V191-S194 PolarHBondContact O-OG 3.21Å
195	S	94.1	Very high	97.6	Very high	46 Å²	46	51 Å²	51	32%	0.322	29%	0.292	S	S	.	.	H	α-helix	trans	-103	3.1	-178.4	54.1	0	0	0	0	114.3	K155 V191 T197	K155-S195 PolarHBondContact NZ-OG 3.48Å; V191-S195 PolarHBondContact O-N 3.01Å; V191-S195 PolarHBondContact O-OG 3.39Å; S195-T197 PolarHBondContact O-N 2.94Å; S195-T197 PolarHBondContact OG-OG1 3.43Å
196	S	93.9	Very high	97.6	Very high	118 Å²	118	50 Å²	50	83%	0.825	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	38.1	-174.7	-60	0	0	0	0	112.7	A192	A192-S196 PolarHBondContact O-N 3Å
197	T	93.7	Very high	97.6	Very high	75 Å²	75	47.7 Å²	47.7	46%	0.46	27%	0.268	S	S	.	.			trans	-112.1	160.9	178.1	56.2	0	0	0	0	110.1	A192 S195	A192-T197 WeakPolarHBondContact CB-O 3.43Å; A192-T197 PolarHBondContact O-N 2.92Å; S195-T197 PolarHBondContact O-N 2.94Å; S195-T197 PolarHBondContact OG-OG1 3.43Å
198	S	95.8	Very high	97.6	Very high	115 Å²	115	45.3 Å²	45.3	80%	0.804	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-56.3	148	164.4	-60.1	0	0	0	0	110.7
199	R	98.2	Very high	97.5	Very high	74 Å²	74	46.5 Å²	46.5	28%	0.279	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-63.3	140.3	174	-172.3	-176.5	53	79.2	-10.8	110.1	F188 A192 D227	F188-R199 HydrophobicContact CB-CG 3.84Å; A192-R199 HydrophobicContact CB-CB 4.01Å; A192-R199 HydrophobicContact CB-CG 4.49Å; R199-D227 IonicContact CZ-OD1 2.76Å; R199-D227 IonicContact CZ-OD2 2.71Å; R199-D227 IonicContact NH1-OD1 2.69Å; R199-D227 IonicContact NH1-OD2 3.65Å; R199-D227 PolarHBondContact NH1-OD2 2.95Å; R199-D227 IonicContact NH2-OD1 3.85Å; R199-D227 PolarHBondContact NH2-OD1 3.25Å; R199-D227 IonicContact NH2-OD2 3.07Å; R199-D227 PolarHBondContact NH2-OD2 3.37Å
200	L	98.7	Very high	97.4	Very high	21 Å²	21	43.2 Å²	43.2	11%	0.11	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-59.8	134.7	166.5	-72.6	168.1	0	0	0	109.6	L154 F159 D160 F188	L154-L200 HydrophobicContact CB-CD1 4.42Å; L154-L200 HydrophobicContact CD1-CD1 4Å; F159-L200 WeakPolarHBondContact O-CD2 3.28Å; D160-L200 CarbonylContact O-C 3.51Å; D160-L200 WeakPolarHBondContact O-CA 3.13Å; F188-L200 HydrophobicContact CB-CB 4.4Å; F188-L200 HydrophobicContact CD1-CB 4.28Å; F188-L200 HydrophobicContact CD1-CD1 3.94Å; F188-L200 HydrophobicContact CD2-CB 3.55Å; F188-L200 WeakPolarHBondContact CD2-O 3.18Å; F188-L200 HydrophobicContact CE1-CB 4.43Å; F188-L200 HydrophobicContact CE1-CD1 3.82Å; F188-L200 HydrophobicContact CE2-CB 3.72Å; F188-L200 HydrophobicContact CG-CB 3.84Å; F188-L200 HydrophobicContact CG-CD1 4.34Å; F188-L200 HydrophobicContact CZ-CB 4.17Å; F188-L200 HydrophobicContact CZ-CD1 4.12Å
201	L	98.8	Very high	97.4	Very high	35 Å²	35	45.4 Å²	45.4	18%	0.183	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	148.2	173.9	-65.8	168.8	0	0	0	110.5	Y78 K118 L120 D160 G161 F162 F188 D227	Y78-L201 HydrophobicContact CD1-CD1 4.09Å; Y78-L201 HydrophobicContact CE1-CD1 3.68Å; K118-L201 HydrophobicContact CB-CD1 4.15Å; K118-L201 HydrophobicContact CG-CD1 4.13Å; L120-L201 HydrophobicContact CD1-CD1 4.12Å; L120-L201 HydrophobicContact CD2-CB 3.87Å; L120-L201 HydrophobicContact CG-CB 4.43Å; D160-L201 PolarHBondContact O-N 3.48Å; G161-L201 CarbonylContact C-O 3.44Å; G161-L201 WeakPolarHBondContact CA-O 3.18Å; F162-L201 PolarHBondContact N-O 3Å; F188-L201 WeakPolarHBondContact CE2-O 3.36Å; L201-D227 WeakPolarHBondContact CA-OD2 3.48Å
202	F	98.9	Very high	97.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	113	177.5	-177	-146.4	0	0	0	111.5	F162 L164 C181 I184 L185 F188 L226 D227	F162-F202 HydrophobicContact CB-CD2 4.44Å; F162-F202 AromaticContact CD1-CD2 3.67Å; F162-F202 HydrophobicContact CD1-CD2 3.67Å; F162-F202 AromaticContact CD1-CE2 3.51Å; F162-F202 HydrophobicContact CD1-CE2 3.51Å; F162-F202 HydrophobicContact CE1-CD2 4.45Å; F162-F202 AromaticContact CE1-CE2 3.84Å; F162-F202 HydrophobicContact CE1-CE2 3.84Å; F162-F202 HydrophobicContact CG-CD2 4.47Å; F162-F202 WeakPolarHBondContact O-CA 3.17Å; L164-F202 HydrophobicContact CB-CE2 4.12Å; C181-F202 HydrophobicContact CB-CE1 3.78Å; C181-F202 HydrophobicContact CB-CZ 4.02Å; C181-F202 WeakPolarHBondContact O-CE1 3.48Å; I184-F202 HydrophobicContact CB-CD1 4.34Å; I184-F202 HydrophobicContact CB-CE1 3.9Å; I184-F202 HydrophobicContact CB-CZ 4Å; I184-F202 HydrophobicContact CD1-CE1 4.35Å; I184-F202 HydrophobicContact CD1-CE2 3.98Å; I184-F202 HydrophobicContact CD1-CZ 3.61Å; I184-F202 HydrophobicContact CG1-CZ 4.43Å; I184-F202 HydrophobicContact CG2-CD1 3.81Å; I184-F202 HydrophobicContact CG2-CD2 3.93Å; I184-F202 HydrophobicContact CG2-CE1 3.79Å; I184-F202 HydrophobicContact CG2-CE2 3.93Å; I184-F202 HydrophobicContact CG2-CG 3.88Å; I184-F202 HydrophobicContact CG2-CZ 3.85Å; L185-F202 HydrophobicContact CB-CD1 4.39Å; F188-F202 HydrophobicContact CD2-CB 4.08Å; F188-F202 HydrophobicContact CE2-CB 3.99Å; F188-F202 HydrophobicContact CE2-CG 4.43Å; F202-L226 HydrophobicContact CD1-CD2 3.77Å; F202-L226 HydrophobicContact CD2-CD2 4.18Å; F202-L226 HydrophobicContact CE1-CD2 3.56Å; F202-L226 HydrophobicContact CE2-CD2 3.98Å; F202-L226 HydrophobicContact CG-CD2 4.08Å; F202-L226 HydrophobicContact CZ-CD2 3.68Å; F202-D227 PolarHBondContact N-OD2 3.38Å; F202-D227 WeakPolarHBondContact O-CB 3.4Å; F202-D227 PolarHBondContact O-N 2.89Å
203	T	99	Very high	97.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	173.5	-177.5	62	0	0	0	0	110.1	L120 F162 D163 L164 D227 F228	L120-T203 HydrophobicContact CD2-CG2 3.93Å; F162-T203 PolarHBondContact O-N 2.83Å; F162-T203 PolarHBondContact O-OG1 2.88Å; D163-T203 WeakPolarHBondContact CA-O 3.16Å; D163-T203 WeakPolarHBondContact CA-OG1 3.21Å; D163-T203 WeakPolarHBondContact CB-OG1 2.98Å; D163-T203 VanDerWaalsContact CG-OG1 3.29Å; D163-T203 VanDerWaalsContact OD1-C 3.32Å; D163-T203 WeakPolarHBondContact OD1-CB 3.24Å; D163-T203 PolarHBondContact OD1-OG1 2.94Å; L164-T203 PolarHBondContact N-O 3.24Å; T203-D227 HydrophobicContact CG2-CB 4.5Å; T203-F228 WeakPolarHBondContact CA-O 3.36Å; T203-F228 HydrophobicContact CG2-CD1 4.07Å; T203-F228 HydrophobicContact CG2-CD2 3.71Å; T203-F228 HydrophobicContact CG2-CE1 3.74Å; T203-F228 HydrophobicContact CG2-CE2 3.36Å; T203-F228 HydrophobicContact CG2-CG 4.07Å; T203-F228 HydrophobicContact CG2-CZ 3.39Å
204	A	99	Very high	97.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	137.9	171.9	0	0	0	0	0	110.7	D163 L164 V206 L226 V229 N230	D163-A204 WeakPolarHBondContact OD1-CA 3.42Å; D163-A204 PolarHBondContact OD1-N 3.12Å; L164-A204 HydrophobicContact CB-CB 4.24Å; L164-A204 VanDerWaalsContact O-CA 3.31Å; L164-A204 WeakPolarHBondContact O-CA 3.31Å; L164-A204 VanDerWaalsContact O-CB 3.31Å; L164-A204 WeakPolarHBondContact O-CB 3.42Å; A204-V206 HydrophobicContact CB-CG1 4.02Å; A204-L226 HydrophobicContact CB-CD1 4.03Å; A204-L226 HydrophobicContact CB-CD2 4.19Å; A204-V229 WeakPolarHBondContact O-CA 3.45Å; A204-N230 PolarHBondContact O-N 3.29Å
205	A	98.9	Very high	97.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	129.3	160.1	0	0	0	0	0	110.6	L164 D165 N230 M232	L164-A205 PolarHBondContact O-N 3.5Å; D165-A205 HydrophobicContact CB-CB 4.21Å; D165-A205 WeakPolarHBondContact OD1-CB 3.43Å; D165-A205 PolarHBondContact OD1-N 2.78Å; A205-N230 WeakPolarHBondContact CA-O 3.5Å; A205-N230 HydrophobicContact CB-CB 4.35Å; A205-M232 HydrophobicContact CB-CE 3.97Å; A205-M232 HydrophobicContact CB-CG 4.05Å; A205-M232 HydrophobicContact CB-SD 3.82Å
206	V	98.9	Very high	97.9	Very high	1 Å²	1	38 Å²	38	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.5	-170	-58.5	0	0	0	0	112.8	A204 Y217 V229 N230 L231 M232 W272	A204-V206 HydrophobicContact CB-CG1 4.02Å; V206-Y217 HydrophobicContact CB-CE1 4.09Å; V206-Y217 HydrophobicContact CG1-CD1 4.48Å; V206-Y217 HydrophobicContact CG1-CE1 3.88Å; V206-V229 HydrophobicContact CG1-CB 4.12Å; V206-V229 HydrophobicContact CG1-CG1 3.97Å; V206-V229 HydrophobicContact CG2-CB 3.81Å; V206-V229 HydrophobicContact CG2-CG1 4.41Å; V206-V229 HydrophobicContact CG2-CG2 4.13Å; V206-N230 PolarHBondContact N-O 2.82Å; V206-L231 HydrophobicContact CG2-CD1 4.25Å; V206-M232 WeakPolarHBondContact O-CB 3.34Å; V206-M232 PolarHBondContact O-N 2.77Å; V206-W272 HydrophobicContact CB-CH2 3.51Å; V206-W272 HydrophobicContact CB-CZ2 3.38Å; V206-W272 HydrophobicContact CB-CZ3 4.47Å; V206-W272 HydrophobicContact CG1-CH2 3.71Å; V206-W272 HydrophobicContact CG1-CZ2 4.13Å; V206-W272 HydrophobicContact CG1-CZ3 4.47Å; V206-W272 HydrophobicContact CG2-CD2 4.31Å; V206-W272 HydrophobicContact CG2-CE3 4.49Å; V206-W272 HydrophobicContact CG2-CH2 3.54Å; V206-W272 HydrophobicContact CG2-CZ2 3.29Å; V206-W272 HydrophobicContact CG2-CZ3 4.13Å
207	S	98.8	Very high	98.1	Very high	5 Å²	5	32.4 Å²	32.4	4%	0.035	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	139.2	-177.4	-163.7	0	0	0	0	112.9	N209 K212 V213 Y217 W272	S207-N209 PolarHBondContact OG-N 2.6Å; S207-K212 WeakPolarHBondContact OG-CD 3.17Å; S207-V213 WeakPolarHBondContact O-CG2 3.37Å; S207-Y217 PolarHBondContact N-OH 3.41Å; S207-W272 PolarHBondContact O-NE1 3.3Å
208	A	98.6	Very high	98.4	Very high	5 Å²	5	31.8 Å²	31.8	4%	0.041	17%	0.17	C	C	.	.			trans	-86.5	-6	167.6	0	0	0	0	0	113.9	P210 L231 M232 F236 S268	A208-P210 WeakPolarHBondContact O-CD 3.25Å; A208-L231 HydrophobicContact CB-CD1 4Å; A208-L231 HydrophobicContact CB-CG 4.46Å; A208-M232 VanDerWaalsContact CB-O 3.25Å; A208-M232 WeakPolarHBondContact CB-O 3.1Å; A208-F236 HydrophobicContact CB-CE1 3.79Å; A208-F236 HydrophobicContact CB-CZ 3.8Å; A208-S268 VanDerWaalsContact O-CB 3.25Å; A208-S268 WeakPolarHBondContact O-CB 3.32Å
209	N	97.8	Very high	98.5	Very high	25 Å²	25	26.3 Å²	26.3	13%	0.134	13%	0.132	C	C	.	.			trans	-80.3	117.3	178.6	177.2	-33.1	0	0	0	110.3	S207 E211 K212 V213 W263	S207-N209 PolarHBondContact OG-N 2.6Å; N209-E211 VanDerWaalsContact C-N 3.27Å; N209-E211 PolarHBondContact O-N 2.99Å; N209-E211 WeakPolarHBondContact OD1-CB 3.27Å; N209-E211 PolarHBondContact OD1-N 2.92Å; N209-K212 HydrophobicContact CB-CB 4.17Å; N209-K212 HydrophobicContact CB-CD 4.11Å; N209-K212 HydrophobicContact CB-CG 4.13Å; N209-K212 PolarHBondContact O-N 3.41Å; N209-K212 VanDerWaalsContact O-N 3.1Å; N209-K212 PolarHBondContact OD1-N 2.82Å; N209-V213 WeakPolarHBondContact O-CG2 3.42Å; N209-V213 PolarHBondContact O-N 3.29Å; N209-W263 VanDerWaalsContact ND2-CZ2 3.32Å; N209-W263 WeakPolarHBondContact ND2-CZ2 3.07Å
210	P	96.9	Very high	98.6	Very high	9 Å²	9	25.8 Å²	25.8	6%	0.058	14%	0.138	C	C	.	.	H	α-helix	trans	-54	-36.9	-178.5	-28.6	36.8	0	0	0	115.1	A208 V213 D214 L262 Y271	A208-P210 WeakPolarHBondContact O-CD 3.25Å; P210-V213 WeakPolarHBondContact O-CB 3.33Å; P210-V213 PolarHBondContact O-N 3.36Å; P210-D214 PolarHBondContact O-N 3.48Å; P210-L262 HydrophobicContact CB-CD1 4.38Å; P210-L262 HydrophobicContact CG-CB 3.87Å; P210-L262 HydrophobicContact CG-CD1 3.95Å; P210-Y271 HydrophobicContact CB-CD1 3.88Å; P210-Y271 HydrophobicContact CB-CD2 4.25Å; P210-Y271 HydrophobicContact CB-CE1 3.68Å; P210-Y271 HydrophobicContact CB-CE2 4.09Å; P210-Y271 HydrophobicContact CB-CG 4.16Å; P210-Y271 HydrophobicContact CG-CD1 4.38Å; P210-Y271 HydrophobicContact CG-CG 4.32Å
211	E	97.2	Very high	98.6	Very high	151 Å²	151	25.6 Å²	25.6	71%	0.706	14%	0.139	S	C	*	.	H	α-helix	trans	-68	-42.8	179.5	-59.7	-178.2	171.6	0	0	111.2	N209 V213 D214 A215	N209-E211 VanDerWaalsContact C-N 3.27Å; N209-E211 PolarHBondContact O-N 2.99Å; N209-E211 WeakPolarHBondContact OD1-CB 3.27Å; N209-E211 PolarHBondContact OD1-N 2.92Å; E211-V213 VanDerWaalsContact C-N 3.31Å; E211-V213 PolarHBondContact O-N 2.89Å; E211-D214 PolarHBondContact O-N 2.72Å; E211-A215 WeakPolarHBondContact O-CB 3.37Å; E211-A215 PolarHBondContact O-N 2.79Å
212	K	98.2	Very high	98.6	Very high	76 Å²	76	23.9 Å²	23.9	33%	0.33	13%	0.13	S	C	.	.	H	α-helix	trans	-64.7	-38	173.6	-68.8	-176.6	175.8	177.2	0	111	Y168 S207 N209 A215 G216 Y217	Y168-K212 HydrophobicContact CD2-CD 3.73Å; Y168-K212 HydrophobicContact CE2-CD 4.18Å; Y168-K212 VanDerWaalsContact CE2-NZ 3.33Å; Y168-K212 HydrophobicContact CG-CD 4.11Å; S207-K212 WeakPolarHBondContact OG-CD 3.17Å; N209-K212 HydrophobicContact CB-CB 4.17Å; N209-K212 HydrophobicContact CB-CD 4.11Å; N209-K212 HydrophobicContact CB-CG 4.13Å; N209-K212 PolarHBondContact O-N 3.41Å; N209-K212 VanDerWaalsContact O-N 3.1Å; N209-K212 PolarHBondContact OD1-N 2.82Å; K212-A215 PolarHBondContact O-N 3.38Å; K212-G216 PolarHBondContact O-N 3.49Å; K212-Y217 WeakPolarHBondContact O-CD2 3.37Å
213	V	98.7	Very high	98.6	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-58.7	-49.7	174.9	175.5	0	0	0	0	110.5	S207 N209 P210 E211 A215 Y217 V219 Y271 W272	S207-V213 WeakPolarHBondContact O-CG2 3.37Å; N209-V213 WeakPolarHBondContact O-CG2 3.42Å; N209-V213 PolarHBondContact O-N 3.29Å; P210-V213 WeakPolarHBondContact O-CB 3.33Å; P210-V213 PolarHBondContact O-N 3.36Å; E211-V213 VanDerWaalsContact C-N 3.31Å; E211-V213 PolarHBondContact O-N 2.89Å; V213-A215 PolarHBondContact O-N 3.21Å; V213-Y217 WeakPolarHBondContact O-CB 3.33Å; V213-Y217 PolarHBondContact O-N 2.9Å; V213-Y217 VanDerWaalsContact O-N 3.12Å; V213-V219 HydrophobicContact CG1-CG2 3.9Å; V213-Y271 HydrophobicContact CB-CD1 4.23Å; V213-Y271 HydrophobicContact CB-CE1 4.14Å; V213-Y271 HydrophobicContact CG1-CD1 4.07Å; V213-Y271 HydrophobicContact CG1-CE1 4.05Å; V213-W272 HydrophobicContact CG1-CZ2 4.37Å; V213-W272 HydrophobicContact CG2-CZ2 3.88Å; V213-W272 VanDerWaalsContact CG2-NE1 3.3Å
214	D	98.7	Very high	98.6	Very high	62 Å²	62	32.8 Å²	32.8	33%	0.332	17%	0.171	S	C	.	.	H	α-helix	trans	-64.6	-41.2	-179.6	-76.9	-27.6	0	0	0	113	K174 P210 E211 Y271 K275	K174-D214 PolarHBondContact NZ-O 2.94Å; P210-D214 PolarHBondContact O-N 3.48Å; E211-D214 PolarHBondContact O-N 2.72Å; D214-Y271 VanDerWaalsContact CG-OH 3.26Å; D214-Y271 PolarHBondContact OD1-OH 3.05Å; D214-Y271 PolarHBondContact OD2-OH 3.19Å; D214-K275 WeakPolarHBondContact OD1-CE 3.32Å; D214-K275 IonicContact OD1-NZ 3.83Å; D214-K275 PolarHBondContact OD1-NZ 3.33Å
215	A	98.7	Very high	98.6	Very high	25 Å²	25	33.6 Å²	33.6	21%	0.207	18%	0.176	C	C	.	.	H	α-helix	trans	-67.8	-49.1	-179.8	0	0	0	0	0	112.4	S171 K174 E211 K212 V213	S171-A215 WeakPolarHBondContact CA-O 3.45Å; S171-A215 WeakPolarHBondContact OG-CB 3.38Å; K174-A215 WeakPolarHBondContact CB-O 3.42Å; K174-A215 WeakPolarHBondContact CD-O 3.15Å; E211-A215 WeakPolarHBondContact O-CB 3.37Å; E211-A215 PolarHBondContact O-N 2.79Å; K212-A215 PolarHBondContact O-N 3.38Å; V213-A215 PolarHBondContact O-N 3.21Å
216	G	98.8	Very high	98.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-100.1	-18.7	-165.1	0	0	0	0	0	116.6	P169 K212	P169-G216 WeakPolarHBondContact O-CA 3.37Å; K212-G216 PolarHBondContact O-N 3.49Å
217	Y	98.9	Very high	98.6	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	19%	0.188	C	C	.	.			trans	-125.2	119.6	-163.1	-56	-94.9	0	0	0	112.6	Y168 P169 K174 Y177 V206 S207 K212 V213 V219 L222 W272	Y168-Y217 VanDerWaalsContact CD1-OH 3.23Å; Y168-Y217 WeakPolarHBondContact CD1-OH 3.14Å; P169-Y217 HydrophobicContact CG-CD1 4.37Å; P169-Y217 HydrophobicContact CG-CD2 4.47Å; P169-Y217 HydrophobicContact CG-CE1 3.9Å; P169-Y217 HydrophobicContact CG-CE2 4.07Å; K174-Y217 VanDerWaalsContact CE-C 3.48Å; K174-Y217 VanDerWaalsContact CE-O 3.3Å; K174-Y217 WeakPolarHBondContact CE-O 3.36Å; K174-Y217 PolarHBondContact NZ-O 3.23Å; Y177-Y217 HydrophobicContact CE1-CD1 4.06Å; Y177-Y217 HydrophobicContact CE1-CE1 4.21Å; V206-Y217 HydrophobicContact CB-CE1 4.09Å; V206-Y217 HydrophobicContact CG1-CD1 4.48Å; V206-Y217 HydrophobicContact CG1-CE1 3.88Å; S207-Y217 PolarHBondContact N-OH 3.41Å; K212-Y217 WeakPolarHBondContact O-CD2 3.37Å; V213-Y217 WeakPolarHBondContact O-CB 3.33Å; V213-Y217 PolarHBondContact O-N 2.9Å; V213-Y217 VanDerWaalsContact O-N 3.12Å; Y217-V219 VanDerWaalsContact C-N 3.3Å; Y217-V219 PolarHBondContact O-N 2.89Å; Y217-V219 VanDerWaalsContact O-N 3.16Å; Y217-L222 HydrophobicContact CD1-CD1 3.9Å; Y217-L222 HydrophobicContact CG-CD1 4.44Å; Y217-W272 AromaticContact CD1-CH2 3.77Å; Y217-W272 HydrophobicContact CD1-CH2 3.77Å; Y217-W272 HydrophobicContact CD1-CZ2 4.33Å; Y217-W272 HydrophobicContact CE1-CH2 4.21Å; Y217-W272 AromaticContact CG-CH2 3.99Å; Y217-W272 HydrophobicContact CG-CH2 3.99Å; Y217-W272 HydrophobicContact CG-CZ2 4.31Å
218	D	98.9	Very high	98.6	Very high	61 Å²	61	36.1 Å²	36.1	33%	0.326	19%	0.188	S	C	.	.			trans	-82.3	79.9	163	-169.3	-27.4	0	0	0	109	L178 P220 A221 L222	L178-D218 HydrophobicContact CD2-CB 4.14Å; D218-P220 WeakPolarHBondContact OD1-CD 3.32Å; D218-A221 HydrophobicContact CB-CB 4.16Å; D218-A221 PolarHBondContact O-N 3.11Å; D218-A221 VanDerWaalsContact O-N 3.15Å; D218-A221 WeakPolarHBondContact OD1-CB 3.4Å; D218-A221 PolarHBondContact OD1-N 2.79Å; D218-L222 WeakPolarHBondContact O-CB 3.37Å; D218-L222 VanDerWaalsContact O-CG 3.29Å; D218-L222 WeakPolarHBondContact O-CG 3.4Å; D218-L222 PolarHBondContact O-N 2.93Å
219	V	98.9	Very high	98.6	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-55.4	-47.9	-170.1	179.6	0	0	0	0	113.3	V213 Y217 A221 L222 A223 W272 K275 M277	V213-V219 HydrophobicContact CG1-CG2 3.9Å; Y217-V219 VanDerWaalsContact C-N 3.3Å; Y217-V219 PolarHBondContact O-N 2.89Å; Y217-V219 VanDerWaalsContact O-N 3.16Å; V219-A221 VanDerWaalsContact C-N 3.31Å; V219-A221 PolarHBondContact O-N 3.2Å; V219-L222 PolarHBondContact O-N 2.76Å; V219-A223 WeakPolarHBondContact O-CB 3.48Å; V219-A223 PolarHBondContact O-N 2.7Å; V219-W272 HydrophobicContact CG1-CE3 3.95Å; V219-W272 HydrophobicContact CG1-CZ3 4.22Å; V219-W272 HydrophobicContact CG2-CE3 4.19Å; V219-W272 HydrophobicContact CG2-CH2 4.45Å; V219-W272 HydrophobicContact CG2-CZ3 4.05Å; V219-K275 HydrophobicContact CB-CB 3.86Å; V219-K275 HydrophobicContact CG1-CB 3.87Å; V219-K275 HydrophobicContact CG2-CB 3.92Å; V219-M277 HydrophobicContact CG1-CB 3.71Å; V219-M277 HydrophobicContact CG1-CE 4.46Å
220	P	98.9	Very high	98.6	Very high	63 Å²	63	34.7 Å²	34.7	41%	0.409	18%	0.18	S	C	.	.	H	α-helix	trans	-63.2	-34.1	178.2	-21.8	32.6	0	0	0	114	D218 K275	D218-P220 WeakPolarHBondContact OD1-CD 3.32Å; P220-K275 VanDerWaalsContact CD-O 3.3Å; P220-K275 WeakPolarHBondContact CD-O 3.45Å; P220-K275 VanDerWaalsContact CG-O 3.27Å; P220-K275 WeakPolarHBondContact CG-O 3.18Å
221	A	98.9	Very high	98.7	Very high	16 Å²	16	34.2 Å²	34.2	13%	0.132	18%	0.177	C	C	.	.	H	α-helix	trans	-76.9	-40.2	179	0	0	0	0	0	111.4	L178 D218 V219 A223 K224	L178-A221 HydrophobicContact CD1-CB 3.5Å; L178-A221 HydrophobicContact CD2-CB 3.65Å; L178-A221 HydrophobicContact CG-CB 4.23Å; D218-A221 HydrophobicContact CB-CB 4.16Å; D218-A221 PolarHBondContact O-N 3.11Å; D218-A221 VanDerWaalsContact O-N 3.15Å; D218-A221 WeakPolarHBondContact OD1-CB 3.4Å; D218-A221 PolarHBondContact OD1-N 2.79Å; V219-A221 VanDerWaalsContact C-N 3.31Å; V219-A221 PolarHBondContact O-N 3.2Å; A221-A223 VanDerWaalsContact C-N 3.34Å; A221-A223 PolarHBondContact O-N 3.29Å; A221-K224 PolarHBondContact O-N 2.98Å
222	L	98.9	Very high	98.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.2	-37.5	175.5	-72.3	170.9	0	0	0	112.5	Y177 L178 C181 Y217 D218 V219 K224 V225 L226	Y177-L222 HydrophobicContact CD1-CD1 4.02Å; Y177-L222 HydrophobicContact CD1-CD2 3.91Å; Y177-L222 HydrophobicContact CE1-CD1 3.77Å; Y177-L222 HydrophobicContact CE1-CD2 3.74Å; Y177-L222 HydrophobicContact CE1-CG 4.43Å; L178-L222 HydrophobicContact CD1-CD2 4.16Å; L178-L222 HydrophobicContact CD1-CG 4.37Å; C181-L222 HydrophobicContact CB-CD2 3.82Å; Y217-L222 HydrophobicContact CD1-CD1 3.9Å; Y217-L222 HydrophobicContact CG-CD1 4.44Å; D218-L222 WeakPolarHBondContact O-CB 3.37Å; D218-L222 VanDerWaalsContact O-CG 3.29Å; D218-L222 WeakPolarHBondContact O-CG 3.4Å; D218-L222 PolarHBondContact O-N 2.93Å; V219-L222 PolarHBondContact O-N 2.76Å; L222-K224 PolarHBondContact O-N 3.13Å; L222-K224 VanDerWaalsContact O-N 3.08Å; L222-V225 HydrophobicContact CD2-CG2 4.36Å; L222-V225 VanDerWaalsContact O-CG2 3.32Å; L222-V225 WeakPolarHBondContact O-CG2 3.41Å; L222-V225 PolarHBondContact O-N 2.69Å; L222-L226 HydrophobicContact CB-CD1 4.2Å; L222-L226 HydrophobicContact CD2-CD1 4.36Å; L222-L226 PolarHBondContact O-N 3.12Å
223	A	98.8	Very high	98.8	Very high	12 Å²	12	24.1 Å²	24.1	10%	0.099	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.3	176.4	0	0	0	0	0	113.9	V219 A221 M277 Q281	V219-A223 WeakPolarHBondContact O-CB 3.48Å; V219-A223 PolarHBondContact O-N 2.7Å; A221-A223 VanDerWaalsContact C-N 3.34Å; A221-A223 PolarHBondContact O-N 3.29Å; A223-M277 HydrophobicContact CB-CE 3.83Å; A223-M277 HydrophobicContact CB-SD 3.54Å; A223-M277 VanDerWaalsContact CB-SD 3.54Å; A223-Q281 PolarHBondContact O-NE2 3.06Å
224	K	98.8	Very high	98.8	Very high	174 Å²	174	24.9 Å²	24.9	76%	0.757	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-15.6	178.2	-60.9	174.6	-173.9	175.2	0	113.4	A221 L222	A221-K224 PolarHBondContact O-N 2.98Å; L222-K224 PolarHBondContact O-N 3.13Å; L222-K224 VanDerWaalsContact O-N 3.08Å
225	V	98.8	Very high	98.8	Very high	17 Å²	17	24.6 Å²	24.6	10%	0.103	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-29	-171.9	-58.6	0	0	0	0	114.3	C181 Q182 L185 L222	C181-V225 HydrophobicContact CB-CG2 3.79Å; Q182-V225 HydrophobicContact CG-CG1 3.9Å; L185-V225 HydrophobicContact CB-CB 4.36Å; L185-V225 HydrophobicContact CD2-CB 3.9Å; L185-V225 HydrophobicContact CD2-CG1 4.12Å; L222-V225 HydrophobicContact CD2-CG2 4.36Å; L222-V225 VanDerWaalsContact O-CG2 3.32Å; L222-V225 WeakPolarHBondContact O-CG2 3.41Å; L222-V225 PolarHBondContact O-N 2.69Å
226	L	98.9	Very high	98.8	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	12%	0.124	C	C	.	.			trans	-87.5	134.3	176.1	-63.9	171.8	0	0	0	109.8	F202 A204 L222 F228 V229 Q281	F202-L226 HydrophobicContact CD1-CD2 3.77Å; F202-L226 HydrophobicContact CD2-CD2 4.18Å; F202-L226 HydrophobicContact CE1-CD2 3.56Å; F202-L226 HydrophobicContact CE2-CD2 3.98Å; F202-L226 HydrophobicContact CG-CD2 4.08Å; F202-L226 HydrophobicContact CZ-CD2 3.68Å; A204-L226 HydrophobicContact CB-CD1 4.03Å; A204-L226 HydrophobicContact CB-CD2 4.19Å; L222-L226 HydrophobicContact CB-CD1 4.2Å; L222-L226 HydrophobicContact CD2-CD1 4.36Å; L222-L226 PolarHBondContact O-N 3.12Å; L226-F228 VanDerWaalsContact C-N 3.28Å; L226-F228 PolarHBondContact O-N 3.35Å; L226-V229 HydrophobicContact CD1-CG1 3.66Å; L226-Q281 PolarHBondContact O-NE2 3.09Å
227	D	98.8	Very high	98.8	Very high	45 Å²	45	24.3 Å²	24.3	24%	0.241	13%	0.127	C	C	.	.	S	Bend	trans	-60.2	-43.1	173.3	-75.2	-59.7	0	0	0	110.4	R199 L201 F202 T203	R199-D227 IonicContact CZ-OD1 2.76Å; R199-D227 IonicContact CZ-OD2 2.71Å; R199-D227 IonicContact NH1-OD1 2.69Å; R199-D227 IonicContact NH1-OD2 3.65Å; R199-D227 PolarHBondContact NH1-OD2 2.95Å; R199-D227 IonicContact NH2-OD1 3.85Å; R199-D227 PolarHBondContact NH2-OD1 3.25Å; R199-D227 IonicContact NH2-OD2 3.07Å; R199-D227 PolarHBondContact NH2-OD2 3.37Å; L201-D227 WeakPolarHBondContact CA-OD2 3.48Å; F202-D227 PolarHBondContact N-OD2 3.38Å; F202-D227 WeakPolarHBondContact O-CB 3.4Å; F202-D227 PolarHBondContact O-N 2.89Å; T203-D227 HydrophobicContact CG2-CB 4.5Å
228	F	98.9	Very high	98.8	Very high	10 Å²	10	24.3 Å²	24.3	4%	0.044	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	168.6	168	54.6	-100	0	0	0	110.4	V48 Y78 F80 T203 L226 Q281 I283	V48-F228 HydrophobicContact CG1-CE1 4.48Å; V48-F228 HydrophobicContact CG1-CE2 4.41Å; V48-F228 HydrophobicContact CG1-CZ 4.18Å; V48-F228 HydrophobicContact CG2-CD1 4.44Å; V48-F228 HydrophobicContact CG2-CE1 4.45Å; Y78-F228 HydrophobicContact CD1-CZ 4.26Å; Y78-F228 HydrophobicContact CD2-CZ 4.5Å; Y78-F228 HydrophobicContact CE1-CE1 4.16Å; Y78-F228 HydrophobicContact CE1-CZ 4.37Å; Y78-F228 HydrophobicContact CE2-CE1 4.5Å; Y78-F228 HydrophobicContact CG-CZ 4.33Å; F80-F228 HydrophobicContact CE1-CE2 4.3Å; F80-F228 HydrophobicContact CE1-CZ 4.43Å; F80-F228 AromaticContact CZ-CE2 3.78Å; F80-F228 HydrophobicContact CZ-CE2 3.78Å; F80-F228 AromaticContact CZ-CZ 3.96Å; F80-F228 HydrophobicContact CZ-CZ 3.96Å; T203-F228 WeakPolarHBondContact CA-O 3.36Å; T203-F228 HydrophobicContact CG2-CD1 4.07Å; T203-F228 HydrophobicContact CG2-CD2 3.71Å; T203-F228 HydrophobicContact CG2-CE1 3.74Å; T203-F228 HydrophobicContact CG2-CE2 3.36Å; T203-F228 HydrophobicContact CG2-CG 4.07Å; T203-F228 HydrophobicContact CG2-CZ 3.39Å; L226-F228 VanDerWaalsContact C-N 3.28Å; L226-F228 PolarHBondContact O-N 3.35Å; F228-Q281 CarbonylContact C-O 3.56Å; F228-Q281 WeakPolarHBondContact CA-O 3.3Å; F228-Q281 HydrophobicContact CB-CB 4.39Å; F228-Q281 WeakPolarHBondContact CB-O 3.21Å; F228-I283 HydrophobicContact CB-CD1 4.07Å; F228-I283 HydrophobicContact CB-CG1 3.86Å; F228-I283 HydrophobicContact CD2-CB 4.47Å; F228-I283 HydrophobicContact CD2-CD1 4.31Å; F228-I283 HydrophobicContact CD2-CG1 3.38Å; F228-I283 HydrophobicContact CE2-CG1 4.05Å; F228-I283 HydrophobicContact CG-CD1 4.21Å; F228-I283 HydrophobicContact CG-CG1 3.76Å
229	V	99	Very high	98.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.4	173.3	-65	0	0	0	0	111.1	A204 V206 L226 L231 W272 M277 Q281 I282 I283	A204-V229 WeakPolarHBondContact O-CA 3.45Å; V206-V229 HydrophobicContact CG1-CB 4.12Å; V206-V229 HydrophobicContact CG1-CG1 3.97Å; V206-V229 HydrophobicContact CG2-CB 3.81Å; V206-V229 HydrophobicContact CG2-CG1 4.41Å; V206-V229 HydrophobicContact CG2-CG2 4.13Å; L226-V229 HydrophobicContact CD1-CG1 3.66Å; V229-L231 PolarHBondContact O-N 3.26Å; V229-W272 HydrophobicContact CG1-CZ3 4.26Å; V229-W272 HydrophobicContact CG2-CE3 4.23Å; V229-W272 HydrophobicContact CG2-CZ3 4.37Å; V229-M277 HydrophobicContact CG1-CE 3.76Å; V229-M277 HydrophobicContact CG2-CE 4.3Å; V229-M277 HydrophobicContact CG2-CG 4.2Å; V229-Q281 WeakPolarHBondContact CG2-O 3.49Å; V229-Q281 PolarHBondContact N-O 2.89Å; V229-I282 HydrophobicContact CG2-CG1 4.35Å; V229-I283 WeakPolarHBondContact O-CB 3.44Å; V229-I283 PolarHBondContact O-N 2.88Å
230	N	99	Very high	98.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	95.9	169.3	-72	-22.4	0	0	0	108	Y52 F80 A204 A205 V206 M232 F380	Y52-N230 PolarHBondContact OH-ND2 2.93Å; F80-N230 WeakPolarHBondContact CE1-ND2 3.37Å; F80-N230 WeakPolarHBondContact CE2-ND2 3.47Å; F80-N230 VanDerWaalsContact CZ-ND2 3.26Å; F80-N230 WeakPolarHBondContact CZ-ND2 3.47Å; A204-N230 PolarHBondContact O-N 3.29Å; A205-N230 WeakPolarHBondContact CA-O 3.5Å; A205-N230 HydrophobicContact CB-CB 4.35Å; V206-N230 PolarHBondContact N-O 2.82Å; N230-M232 PolarHBondContact O-N 3.47Å; N230-F380 VanDerWaalsContact C-CE1 3.42Å; N230-F380 VanDerWaalsContact CA-CE1 3.49Å; N230-F380 HydrophobicContact CB-CD1 3.7Å; N230-F380 HydrophobicContact CB-CE1 3.5Å; N230-F380 HydrophobicContact CB-CE2 4.39Å; N230-F380 HydrophobicContact CB-CG 4.24Å; N230-F380 HydrophobicContact CB-CZ 3.87Å
231	L	99	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	111.1	178.2	179.7	65.8	0	0	0	110.5	V206 A208 V229 S233 S269 W272 I282 I283 I284 G285 F380	V206-L231 HydrophobicContact CG2-CD1 4.25Å; A208-L231 HydrophobicContact CB-CD1 4Å; A208-L231 HydrophobicContact CB-CG 4.46Å; V229-L231 PolarHBondContact O-N 3.26Å; L231-S233 PolarHBondContact O-N 3.34Å; L231-S233 PolarHBondContact O-OG 2.66Å; L231-S269 VanDerWaalsContact CD2-CA 3.48Å; L231-W272 VanDerWaalsContact CD1-CD1 3.44Å; L231-W272 HydrophobicContact CD1-CG 4.24Å; L231-I282 HydrophobicContact CB-CG2 4.19Å; L231-I282 HydrophobicContact CD2-CG2 4.09Å; L231-I283 PolarHBondContact N-O 3.25Å; L231-I284 HydrophobicContact CD2-CD1 4.05Å; L231-G285 WeakPolarHBondContact O-CA 3.43Å; L231-G285 PolarHBondContact O-N 2.66Å; L231-F380 VanDerWaalsContact O-CE1 3.25Å; L231-F380 WeakPolarHBondContact O-CE1 3.3Å
232	M	98.9	Very high	98.6	Very high	15 Å²	15	32.9 Å²	32.9	7%	0.074	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	67.6	178.2	-62.1	-170	-78.6	0	0	111.3	E167 Y168 A205 V206 A208 N230 Y234 F380	E167-M232 HydrophobicContact CG-CE 4.05Å; Y168-M232 HydrophobicContact CE1-CE 3.4Å; Y168-M232 VanDerWaalsContact CE1-CE 3.4Å; Y168-M232 WeakPolarHBondContact OH-CE 3.25Å; A205-M232 HydrophobicContact CB-CE 3.97Å; A205-M232 HydrophobicContact CB-CG 4.05Å; A205-M232 HydrophobicContact CB-SD 3.82Å; V206-M232 WeakPolarHBondContact O-CB 3.34Å; V206-M232 PolarHBondContact O-N 2.77Å; A208-M232 VanDerWaalsContact CB-O 3.25Å; A208-M232 WeakPolarHBondContact CB-O 3.1Å; N230-M232 PolarHBondContact O-N 3.47Å; M232-Y234 HydrophobicContact CB-CD2 4.47Å; M232-Y234 HydrophobicContact CB-CE1 4.43Å; M232-Y234 HydrophobicContact CB-CE2 3.82Å; M232-Y234 HydrophobicContact CG-CE2 4.19Å; M232-Y234 WeakPolarHBondContact CG-OH 3.41Å; M232-Y234 PolarHBondContact O-N 3.17Å; M232-F380 HydrophobicContact CG-CZ 4.34Å
233	S	98.8	Very high	98.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.			trans	-81.2	52.1	-178.8	52.8	0	0	0	0	112.3	L231 F236 S248 G285	L231-S233 PolarHBondContact O-N 3.34Å; L231-S233 PolarHBondContact O-OG 2.66Å; S233-F236 WeakPolarHBondContact O-CE2 3.3Å; S233-S248 WeakPolarHBondContact O-CB 3.4Å; S233-S248 PolarHBondContact O-OG 2.9Å; S233-G285 PolarHBondContact OG-N 3.19Å; S233-G285 PolarHBondContact OG-O 2.84Å
234	Y	98.8	Very high	98.5	Very high	17 Å²	17	36.5 Å²	36.5	7%	0.067	18%	0.177	C	C	.	.			trans	-148.6	179.6	176	40.8	-105.1	0	0	0	108	M232 F236 N247 P287 Y289 F380 W382	M232-Y234 HydrophobicContact CB-CD2 4.47Å; M232-Y234 HydrophobicContact CB-CE1 4.43Å; M232-Y234 HydrophobicContact CB-CE2 3.82Å; M232-Y234 HydrophobicContact CG-CE2 4.19Å; M232-Y234 WeakPolarHBondContact CG-OH 3.41Å; M232-Y234 PolarHBondContact O-N 3.17Å; Y234-F236 PolarHBondContact O-N 3.24Å; Y234-N247 CarbonylContact C-O 3.59Å; Y234-P287 HydrophobicContact CD1-CB 4.3Å; Y234-P287 HydrophobicContact CG-CB 4.27Å; Y234-Y289 WeakPolarHBondContact CD2-OH 3.27Å; Y234-F380 AromaticContact CE1-CE2 3.93Å; Y234-F380 HydrophobicContact CE1-CE2 3.93Å; Y234-F380 AromaticContact CE1-CZ 3.85Å; Y234-F380 HydrophobicContact CE1-CZ 3.85Å; Y234-F380 VanDerWaalsContact OH-CE2 3.31Å; Y234-F380 WeakPolarHBondContact OH-CE2 3.36Å; Y234-W382 HydrophobicContact CE1-CB 4.21Å
235	D	98.5	Very high	98.5	Very high	56 Å²	56	28.4 Å²	28.4	30%	0.299	14%	0.144	S	C	.	.			trans	59.3	29.6	-173.5	-61.5	-16.3	0	0	0	113.7	W240 N247 Y289 R291	D235-W240 HydrophobicContact CB-CH2 4.08Å; D235-W240 WeakPolarHBondContact O-CZ2 3.07Å; D235-N247 WeakPolarHBondContact CA-OD1 3.5Å; D235-N247 PolarHBondContact N-O 2.6Å; D235-N247 VanDerWaalsContact N-O 3.09Å; D235-N247 PolarHBondContact N-OD1 3.45Å; D235-N247 PolarHBondContact OD1-OD1 3.08Å; D235-Y289 WeakPolarHBondContact OD1-CE2 3.41Å; D235-Y289 PolarHBondContact OD1-OH 2.85Å; D235-Y289 PolarHBondContact OD2-OH 2.84Å; D235-R291 IonicContact OD1-CZ 2.84Å; D235-R291 IonicContact OD1-NE 2.79Å; D235-R291 PolarHBondContact OD1-NE 2.78Å; D235-R291 IonicContact OD1-NH2 3.77Å; D235-R291 PolarHBondContact OD1-NH2 2.71Å; D235-R291 IonicContact OD2-CZ 3.28Å; D235-R291 IonicContact OD2-NE 3.45Å; D235-R291 IonicContact OD2-NH2 3.94Å; D235-R291 PolarHBondContact OD2-NH2 2.76Å
236	F	98.5	Very high	98.5	Very high	7 Å²	7	27.8 Å²	27.8	3%	0.031	14%	0.14	C	C	.	.	S	Bend	trans	-67.7	-41.4	172.5	-66.3	-70.7	0	0	0	110.8	A208 S233 Y234 N247 P249 W263	A208-F236 HydrophobicContact CB-CE1 3.79Å; A208-F236 HydrophobicContact CB-CZ 3.8Å; S233-F236 WeakPolarHBondContact O-CE2 3.3Å; Y234-F236 PolarHBondContact O-N 3.24Å; F236-N247 WeakPolarHBondContact CD2-O 3.22Å; F236-N247 PolarHBondContact N-O 2.98Å; F236-P249 HydrophobicContact CD2-CG 4.46Å; F236-W263 HydrophobicContact CB-CB 4.28Å; F236-W263 HydrophobicContact CB-CE3 4.19Å; F236-W263 VanDerWaalsContact CD1-C 3.43Å; F236-W263 VanDerWaalsContact CD1-CA 3.5Å; F236-W263 HydrophobicContact CD1-CB 3.6Å; F236-W263 HydrophobicContact CD1-CD2 4.3Å; F236-W263 HydrophobicContact CD1-CE3 4.21Å; F236-W263 HydrophobicContact CD1-CG 4.1Å; F236-W263 HydrophobicContact CE1-CB 4.27Å; F236-W263 HydrophobicContact CG-CB 4.22Å; F236-W263 WeakPolarHBondContact CG-O 3.48Å; F236-W263 WeakPolarHBondContact O-CZ3 3.28Å
237	H	98.6	Very high	98.5	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.056	14%	0.139	C	C	.	.	S	Bend	trans	-130.5	145.6	177.3	-64.2	-67.6	0	0	0	111.5	E241 I246 F260 R291 W293	H237-E241 WeakPolarHBondContact CA-OE2 3.46Å; H237-E241 WeakPolarHBondContact CB-OE2 3.4Å; H237-E241 IonicContact CE1-OE1 3.17Å; H237-E241 IonicContact CG-OE1 2.84Å; H237-E241 IonicContact CG-OE2 2.79Å; H237-E241 VanDerWaalsContact ND1-CD 3.34Å; H237-E241 IonicContact ND1-OE1 3.41Å; H237-E241 PolarHBondContact ND1-OE1 2.8Å; H237-E241 IonicContact ND1-OE2 3.55Å; H237-E241 PolarHBondContact ND1-OE2 3.28Å; H237-E241 VanDerWaalsContact ND1-OE2 3.1Å; H237-I246 WeakPolarHBondContact CB-O 3.43Å; H237-I246 PolarHBondContact CD2-O 2.65Å; H237-I246 VanDerWaalsContact CD2-O 3.25Å; H237-F260 AromaticContact CE1-CD1 3.64Å; H237-F260 AromaticContact CE1-CD2 3.79Å; H237-F260 AromaticContact CE1-CE1 3.81Å; H237-F260 AromaticContact CE1-CE2 3.97Å; H237-F260 AromaticContact CE1-CG 3.65Å; H237-F260 AromaticContact CE1-CZ 3.98Å; H237-R291 WeakPolarHBondContact O-CD 3.48Å; H237-W293 HydrophobicContact CB-CH2 4.23Å; H237-W293 HydrophobicContact CB-CZ2 4.39Å
238	G	98.4	Very high	98.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.			trans	-168.8	-175.4	-176.4	0	0	0	0	0	114.6	W240 E241 W293	G238-W240 PolarHBondContact O-N 2.99Å; G238-E241 PolarHBondContact N-OE2 3.13Å; G238-E241 VanDerWaalsContact N-OE2 3.07Å; G238-E241 WeakPolarHBondContact O-CB 3.5Å; G238-E241 PolarHBondContact O-N 2.9Å; G238-W293 VanDerWaalsContact C-CE2 3.46Å; G238-W293 VanDerWaalsContact N-CZ2 3.31Å; G238-W293 VanDerWaalsContact O-CE2 3.3Å; G238-W293 WeakPolarHBondContact O-CZ2 3.31Å; G238-W293 PolarHBondContact O-NE1 2.86Å; G238-W293 VanDerWaalsContact O-NE1 3.1Å
239	A	97.8	Very high	98.5	Very high	29 Å²	29	25.2 Å²	25.2	24%	0.24	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-7.7	-173.9	0	0	0	0	0	115.3	E241	A239-E241 PolarHBondContact O-N 2.88Å
240	W	97.5	Very high	98.5	Very high	147 Å²	147	25.4 Å²	25.4	56%	0.557	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-11	170	53.5	86.9	0	0	0	113.1	D235 G238	D235-W240 HydrophobicContact CB-CH2 4.08Å; D235-W240 WeakPolarHBondContact O-CZ2 3.07Å; G238-W240 PolarHBondContact O-N 2.99Å
241	E	98	Very high	98.5	Very high	27 Å²	27	27.7 Å²	27.7	13%	0.126	14%	0.138	C	C	.	.	S	Bend	trans	-100.8	150.8	177.3	-61.4	170.4	120.3	0	0	112.2	H237 G238 A239 K243 W293	H237-E241 WeakPolarHBondContact CA-OE2 3.46Å; H237-E241 WeakPolarHBondContact CB-OE2 3.4Å; H237-E241 IonicContact CE1-OE1 3.17Å; H237-E241 IonicContact CG-OE1 2.84Å; H237-E241 IonicContact CG-OE2 2.79Å; H237-E241 VanDerWaalsContact ND1-CD 3.34Å; H237-E241 IonicContact ND1-OE1 3.41Å; H237-E241 PolarHBondContact ND1-OE1 2.8Å; H237-E241 IonicContact ND1-OE2 3.55Å; H237-E241 PolarHBondContact ND1-OE2 3.28Å; H237-E241 VanDerWaalsContact ND1-OE2 3.1Å; G238-E241 PolarHBondContact N-OE2 3.13Å; G238-E241 VanDerWaalsContact N-OE2 3.07Å; G238-E241 WeakPolarHBondContact O-CB 3.5Å; G238-E241 PolarHBondContact O-N 2.9Å; A239-E241 PolarHBondContact O-N 2.88Å; E241-K243 PolarHBondContact O-N 2.88Å; E241-W293 PolarHBondContact O-NE1 3.24Å
242	T	98	Very high	98.5	Very high	119 Å²	119	29.6 Å²	29.6	73%	0.73	15%	0.152	S	C	*	.	S	Bend	trans	-84.1	9.7	178.9	62.7	0	0	0	0	113.8	A307	T242-A307 PolarHBondContact O-N 3.47Å
243	K	97.8	Very high	98.4	Very high	85 Å²	85	30.1 Å²	30.1	37%	0.37	15%	0.153	S	C	.	.	B	Isolated β-bridge	trans	-143.9	154.6	177.8	62.4	178.3	-178.6	175.7	0	109.6	E241 W293 A305	E241-K243 PolarHBondContact O-N 2.88Å; K243-W293 PolarHBondContact O-NE1 3.48Å; K243-A305 CarbonylContact C-O 3.58Å; K243-A305 VanDerWaalsContact CA-O 3.22Å; K243-A305 WeakPolarHBondContact CA-O 3.19Å
244	T	98.6	Very high	98.3	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	19%	0.189	C	C	.	.			trans	-65.9	149.1	174.3	61.7	0	0	0	0	110.9	W293 L295 Y302 G304 A305 W355	T244-W293 HydrophobicContact CG2-CB 4.11Å; T244-W293 HydrophobicContact CG2-CD2 4.3Å; T244-W293 HydrophobicContact CG2-CE3 4.47Å; T244-W293 HydrophobicContact CG2-CG 4.21Å; T244-L295 HydrophobicContact CG2-CD2 3.64Å; T244-Y302 PolarHBondContact OG1-O 3.15Å; T244-G304 WeakPolarHBondContact O-CA 3.33Å; T244-G304 PolarHBondContact O-N 2.92Å; T244-G304 PolarHBondContact OG1-N 2.69Å; T244-A305 PolarHBondContact N-O 2.86Å; T244-A305 PolarHBondContact OG1-N 3.42Å; T244-W355 HydrophobicContact CG2-CB 4.12Å; T244-W355 HydrophobicContact CG2-CD2 3.58Å; T244-W355 HydrophobicContact CG2-CE3 3.75Å; T244-W355 HydrophobicContact CG2-CG 3.74Å; T244-W355 HydrophobicContact CG2-CZ3 4.38Å
245	G	98.4	Very high	98.1	Very high	5 Å²	5	42.2 Å²	42.2	5%	0.052	21%	0.21	C	C	.	.			trans	-154.3	176.1	177.1	0	0	0	0	0	111.2	W293 W355 S357	G245-W293 VanDerWaalsContact O-CH2 3.22Å; G245-W293 WeakPolarHBondContact O-CH2 3.25Å; G245-W293 WeakPolarHBondContact O-CZ3 3.49Å; G245-W355 VanDerWaalsContact O-CH2 3.3Å; G245-W355 WeakPolarHBondContact O-CH2 3.17Å; G245-W355 VanDerWaalsContact O-CZ3 3.23Å; G245-W355 WeakPolarHBondContact O-CZ3 3.5Å; G245-S357 VanDerWaalsContact O-CB 3.27Å; G245-S357 WeakPolarHBondContact O-CB 3.35Å
246	I	98.8	Very high	97.9	Very high	4 Å²	4	41 Å²	41	2%	0.021	20%	0.204	C	C	.	.			trans	-93.2	127.4	-177.2	-52.1	-57.9	0	0	0	110.5	H237 S248 P249 V303 T346 W355 S357	H237-I246 WeakPolarHBondContact CB-O 3.43Å; H237-I246 PolarHBondContact CD2-O 2.65Å; H237-I246 VanDerWaalsContact CD2-O 3.25Å; I246-S248 PolarHBondContact O-N 2.69Å; I246-P249 HydrophobicContact CB-CB 3.98Å; I246-P249 HydrophobicContact CB-CG 4.11Å; I246-P249 HydrophobicContact CG2-CB 3.71Å; I246-P249 HydrophobicContact CG2-CG 4.14Å; I246-P249 WeakPolarHBondContact O-CD 3.22Å; I246-V303 HydrophobicContact CD1-CB 4.49Å; I246-V303 HydrophobicContact CD1-CG1 3.89Å; I246-V303 HydrophobicContact CD1-CG2 3.71Å; I246-V303 HydrophobicContact CG1-CG1 4.02Å; I246-T346 HydrophobicContact CG2-CG2 4Å; I246-T346 WeakPolarHBondContact CG2-OG1 3.1Å; I246-W355 HydrophobicContact CD1-CH2 4.26Å; I246-S357 WeakPolarHBondContact CA-OG 3.48Å
247	N	98.9	Very high	97.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-59.3	-49.1	-180	179.9	34	0	0	0	112	Y234 D235 F236 R291 S357	Y234-N247 CarbonylContact C-O 3.59Å; D235-N247 WeakPolarHBondContact CA-OD1 3.5Å; D235-N247 PolarHBondContact N-O 2.6Å; D235-N247 VanDerWaalsContact N-O 3.09Å; D235-N247 PolarHBondContact N-OD1 3.45Å; D235-N247 PolarHBondContact OD1-OD1 3.08Å; F236-N247 WeakPolarHBondContact CD2-O 3.22Å; F236-N247 PolarHBondContact N-O 2.98Å; N247-R291 HydrophobicContact CB-CB 4.41Å; N247-R291 HydrophobicContact CB-CG 4.35Å; N247-S357 PolarHBondContact N-OG 3.03Å
248	S	98.9	Very high	97.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	C	.	.	S	Bend	trans	-142.3	70.7	-176.1	-179.3	0	0	0	0	110.9	S233 I246 T346 K367	S233-S248 WeakPolarHBondContact O-CB 3.4Å; S233-S248 PolarHBondContact O-OG 2.9Å; I246-S248 PolarHBondContact O-N 2.69Å; S248-T346 VanDerWaalsContact O-CG2 3.3Å; S248-T346 WeakPolarHBondContact O-CG2 3.38Å; S248-K367 WeakPolarHBondContact O-CE 3.21Å; S248-K367 PolarHBondContact O-NZ 3.01Å; S248-K367 PolarHBondContact OG-NZ 2.84Å
249	P	98.9	Very high	96.5	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.026	28%	0.276	C	S	.	.			trans	-67.2	137.7	177.8	27	-30.3	0	0	0	110.2	F236 I246 H251 W263 N264 V265	F236-P249 HydrophobicContact CD2-CG 4.46Å; I246-P249 HydrophobicContact CB-CB 3.98Å; I246-P249 HydrophobicContact CB-CG 4.11Å; I246-P249 HydrophobicContact CG2-CB 3.71Å; I246-P249 HydrophobicContact CG2-CG 4.14Å; I246-P249 WeakPolarHBondContact O-CD 3.22Å; P249-H251 WeakPolarHBondContact CB-O 3.42Å; P249-W263 WeakPolarHBondContact CG-O 3.14Å; P249-N264 HydrophobicContact CB-CB 4.29Å; P249-N264 HydrophobicContact CG-CB 3.89Å; P249-N264 WeakPolarHBondContact O-CA 2.96Å; P249-N264 VanDerWaalsContact O-CB 3.32Å; P249-N264 WeakPolarHBondContact O-CB 3.35Å; P249-V265 WeakPolarHBondContact O-CG2 3.39Å; P249-V265 PolarHBondContact O-N 2Å
250	L	98.9	Very high	96.3	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	27%	0.27	C	S	.	.	S	Bend	trans	-67.4	-46.2	172.9	177.4	56.3	0	0	0	110.5	V265 E266 S344 K345 A366 K367 W370	L250-V265 HydrophobicContact CD1-CB 4.09Å; L250-V265 HydrophobicContact CD1-CG1 4.15Å; L250-E266 VanDerWaalsContact O-CB 3.3Å; L250-E266 WeakPolarHBondContact O-CB 3.27Å; L250-E266 PolarHBondContact O-N 2.6Å; L250-S344 WeakPolarHBondContact CB-O 3.19Å; L250-S344 PolarHBondContact N-O 3.27Å; L250-K345 HydrophobicContact CB-CB 4.19Å; L250-K345 HydrophobicContact CD2-CB 4.23Å; L250-K345 HydrophobicContact CD2-CG 4.35Å; L250-A366 HydrophobicContact CD2-CB 4.45Å; L250-K367 HydrophobicContact CB-CG 4.3Å; L250-K367 HydrophobicContact CD1-CG 4.19Å; L250-K367 HydrophobicContact CD2-CG 4.48Å; L250-W370 HydrophobicContact CD1-CB 4.2Å; L250-W370 HydrophobicContact CD1-CD2 3.71Å; L250-W370 HydrophobicContact CD1-CE3 3.93Å; L250-W370 HydrophobicContact CD1-CG 3.81Å; L250-W370 HydrophobicContact CD2-CB 4.15Å; L250-W370 HydrophobicContact CD2-CG 4.37Å
251	H	98.7	Very high	96.2	Very high	48 Å²	48	48.8 Å²	48.8	22%	0.222	26%	0.257	C	S	.	.	S	Bend	trans	-123.9	158.2	178.3	-51.3	-70.3	0	0	0	111.1	P249 E266	P249-H251 WeakPolarHBondContact CB-O 3.42Å; H251-E266 IonicContact CE1-OE1 2.8Å; H251-E266 IonicContact CE1-OE2 2.78Å; H251-E266 IonicContact CG-OE2 2.88Å; H251-E266 VanDerWaalsContact ND1-CD 3.34Å; H251-E266 IonicContact ND1-OE1 2.73Å; H251-E266 IonicContact ND1-OE2 2.6Å; H251-E266 PolarHBondContact ND1-OE2 3.25Å
252	S	98.1	Very high	96.1	Very high	41 Å²	41	50.7 Å²	50.7	29%	0.287	27%	0.268	S	S	.	.			trans	-64.9	144.9	168.9	66.7	0	0	0	0	111.4	D256 N264	S252-D256 WeakPolarHBondContact CA-OD2 3.29Å; S252-N264 PolarHBondContact N-ND2 3.04Å
253	R	98	Very high	96.1	Very high	26 Å²	26	47.9 Å²	47.9	10%	0.098	24%	0.244	C	C	.	.			trans	-85.4	153.3	169.8	-56	176.5	60.7	-104.4	-9.6	110.2	D255 D256 K261 V303 D341 E343	R253-D255 VanDerWaalsContact C-N 3.27Å; R253-D255 WeakPolarHBondContact CB-OD1 3.33Å; R253-D255 IonicContact CZ-OD1 2.89Å; R253-D255 IonicContact CZ-OD2 3.91Å; R253-D255 IonicContact NE-OD1 2.66Å; R253-D255 IonicContact NH1-OD1 3.12Å; R253-D255 PolarHBondContact NH1-OD1 2.73Å; R253-D255 IonicContact NH1-OD2 3.62Å; R253-D255 PolarHBondContact NH1-OD2 3.02Å; R253-D255 IonicContact NH2-OD1 3.51Å; R253-D255 PolarHBondContact NH2-OD1 2.81Å; R253-D255 IonicContact NH2-OD2 3.62Å; R253-D255 PolarHBondContact NH2-OD2 2.93Å; R253-D255 VanDerWaalsContact NH2-OD2 3.14Å; R253-D255 PolarHBondContact O-N 2.8Å; R253-D256 PolarHBondContact N-OD2 2.88Å; R253-D256 WeakPolarHBondContact O-CB 3.34Å; R253-D256 PolarHBondContact O-N 2.82Å; R253-K261 PolarHBondContact O-NZ 3.05Å; R253-V303 VanDerWaalsContact NH1-CG1 3.33Å; R253-D341 IonicContact CZ-OD2 3.9Å; R253-D341 IonicContact NE-OD1 3.58Å; R253-D341 IonicContact NE-OD2 3.63Å; R253-D341 PolarHBondContact NE-OD2 2.86Å; R253-D341 IonicContact NH2-OD2 3.58Å; R253-E343 HydrophobicContact CB-CB 4.3Å; R253-E343 HydrophobicContact CG-CB 4Å
254	K	96.4	Very high	96.1	Very high	173 Å²	173	43.9 Å²	43.9	75%	0.752	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-39	-179	-80.9	163.3	-170.1	169.5	0	113.5	D256 K261 E343	K254-D256 VanDerWaalsContact C-N 3.33Å; K254-K261 PolarHBondContact O-NZ 3.03Å; K254-E343 WeakPolarHBondContact CB-OE1 3.27Å; K254-E343 WeakPolarHBondContact CD-OE1 3.3Å; K254-E343 WeakPolarHBondContact CG-OE1 3.22Å; K254-E343 PolarHBondContact N-OE1 3.12Å
255	D	93.9	Very high	96.1	Very high	97 Å²	97	43.8 Å²	43.8	52%	0.519	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-4.4	-178.6	58.6	-25.5	0	0	0	114.5	R253 S257	R253-D255 VanDerWaalsContact C-N 3.27Å; R253-D255 WeakPolarHBondContact CB-OD1 3.33Å; R253-D255 IonicContact CZ-OD1 2.89Å; R253-D255 IonicContact CZ-OD2 3.91Å; R253-D255 IonicContact NE-OD1 2.66Å; R253-D255 IonicContact NH1-OD1 3.12Å; R253-D255 PolarHBondContact NH1-OD1 2.73Å; R253-D255 IonicContact NH1-OD2 3.62Å; R253-D255 PolarHBondContact NH1-OD2 3.02Å; R253-D255 IonicContact NH2-OD1 3.51Å; R253-D255 PolarHBondContact NH2-OD1 2.81Å; R253-D255 IonicContact NH2-OD2 3.62Å; R253-D255 PolarHBondContact NH2-OD2 2.93Å; R253-D255 VanDerWaalsContact NH2-OD2 3.14Å; R253-D255 PolarHBondContact O-N 2.8Å; D255-S257 PolarHBondContact O-N 2.85Å
256	D	94.9	Very high	96.2	Very high	30 Å²	30	46.2 Å²	46.2	16%	0.16	24%	0.236	C	C	.	.	S	Bend	trans	-59.3	137.2	171.3	-66.7	-14.9	0	0	0	110.7	S252 R253 K254 F260 K261	S252-D256 WeakPolarHBondContact CA-OD2 3.29Å; R253-D256 PolarHBondContact N-OD2 2.88Å; R253-D256 WeakPolarHBondContact O-CB 3.34Å; R253-D256 PolarHBondContact O-N 2.82Å; K254-D256 VanDerWaalsContact C-N 3.33Å; D256-F260 HydrophobicContact CB-CB 4.31Å; D256-K261 HydrophobicContact CB-CD 4.15Å; D256-K261 WeakPolarHBondContact O-CE 3.46Å; D256-K261 PolarHBondContact O-NZ 3.47Å
257	S	92.1	Very high	96.2	Very high	39 Å²	39	48.3 Å²	48.3	27%	0.273	25%	0.246	S	C	.	.			trans	-62.7	159.7	171.5	47.9	0	0	0	0	110.3	D255 E259 F260 K261	D255-S257 PolarHBondContact O-N 2.85Å; S257-E259 PolarHBondContact O-N 3.48Å; S257-E259 VanDerWaalsContact O-N 3.12Å; S257-E259 WeakPolarHBondContact OG-CG 3.4Å; S257-E259 PolarHBondContact OG-OE1 3.04Å; S257-F260 PolarHBondContact O-N 2.83Å; S257-F260 WeakPolarHBondContact OG-CD2 3.12Å; S257-K261 PolarHBondContact O-N 3.03Å
258	S	90.2	Very high	96.1	Very high	111 Å²	111	48.4 Å²	48.4	78%	0.776	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.9	-179.3	50.5	0	0	0	0	113.1
259	E	83.8	Confident	96.1	Very high	120 Å²	120	48.4 Å²	48.4	56%	0.561	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-35.7	177.2	76.3	-154.8	140.3	0	0	112.7	S257	S257-E259 PolarHBondContact O-N 3.48Å; S257-E259 VanDerWaalsContact O-N 3.12Å; S257-E259 WeakPolarHBondContact OG-CG 3.4Å; S257-E259 PolarHBondContact OG-OE1 3.04Å
260	F	92.8	Very high	96.1	Very high	23 Å²	23	52.4 Å²	52.4	10%	0.101	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-93.8	-2.3	-175.1	-63.6	-48.8	0	0	0	113.8	H237 D256 S257 L262 W263	H237-F260 AromaticContact CE1-CD1 3.64Å; H237-F260 AromaticContact CE1-CD2 3.79Å; H237-F260 AromaticContact CE1-CE1 3.81Å; H237-F260 AromaticContact CE1-CE2 3.97Å; H237-F260 AromaticContact CE1-CG 3.65Å; H237-F260 AromaticContact CE1-CZ 3.98Å; D256-F260 HydrophobicContact CB-CB 4.31Å; S257-F260 PolarHBondContact O-N 2.83Å; S257-F260 WeakPolarHBondContact OG-CD2 3.12Å; F260-L262 PolarHBondContact O-N 3.24Å; F260-L262 VanDerWaalsContact O-N 3.12Å; F260-W263 HydrophobicContact CB-CB 4.37Å; F260-W263 HydrophobicContact CD1-CB 4.15Å; F260-W263 AromaticContact CD1-CD2 3.66Å; F260-W263 HydrophobicContact CD1-CD2 3.66Å; F260-W263 AromaticContact CD1-CE3 3.79Å; F260-W263 HydrophobicContact CD1-CE3 3.79Å; F260-W263 AromaticContact CD1-CG 3.83Å; F260-W263 HydrophobicContact CD1-CG 3.83Å; F260-W263 HydrophobicContact CD1-CZ3 4.39Å; F260-W263 AromaticContact CE1-CD2 3.99Å; F260-W263 HydrophobicContact CE1-CD2 3.99Å; F260-W263 AromaticContact CE1-CE3 3.79Å; F260-W263 HydrophobicContact CE1-CE3 3.79Å; F260-W263 HydrophobicContact CE1-CH2 4.24Å; F260-W263 HydrophobicContact CE1-CZ2 4.4Å; F260-W263 AromaticContact CE1-CZ3 3.93Å; F260-W263 HydrophobicContact CE1-CZ3 3.93Å; F260-W263 PolarHBondContact O-N 3.37Å
261	K	95.5	Very high	96.1	Very high	66 Å²	66	54.8 Å²	54.8	29%	0.287	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-59.5	-24.7	174	-68	-59.5	-178	-170.9	0	113.6	R253 K254 D256 S257 N264	R253-K261 PolarHBondContact O-NZ 3.05Å; K254-K261 PolarHBondContact O-NZ 3.03Å; D256-K261 HydrophobicContact CB-CD 4.15Å; D256-K261 WeakPolarHBondContact O-CE 3.46Å; D256-K261 PolarHBondContact O-NZ 3.47Å; S257-K261 PolarHBondContact O-N 3.03Å; K261-N264 PolarHBondContact O-ND2 3.43Å
262	L	96.1	Very high	96.1	Very high	68 Å²	68	52.5 Å²	52.5	36%	0.356	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-93.6	-6.9	175.5	-58.4	179	0	0	0	113.5	P210 F260 N264 E267	P210-L262 HydrophobicContact CB-CD1 4.38Å; P210-L262 HydrophobicContact CG-CB 3.87Å; P210-L262 HydrophobicContact CG-CD1 3.95Å; F260-L262 PolarHBondContact O-N 3.24Å; F260-L262 VanDerWaalsContact O-N 3.12Å; L262-N264 VanDerWaalsContact C-N 3.29Å; L262-N264 PolarHBondContact O-N 3.44Å; L262-N264 VanDerWaalsContact O-N 3.13Å; L262-E267 HydrophobicContact CD2-CB 4.05Å; L262-E267 HydrophobicContact CD2-CG 4.41Å
263	W	98.1	Very high	96.2	Very high	60 Å²	60	52 Å²	52	23%	0.227	26%	0.258	C	S	.	.			trans	-92.3	61.4	-173	-74.6	46.6	0	0	0	111	N209 F236 P249 F260	N209-W263 VanDerWaalsContact ND2-CZ2 3.32Å; N209-W263 WeakPolarHBondContact ND2-CZ2 3.07Å; F236-W263 HydrophobicContact CB-CB 4.28Å; F236-W263 HydrophobicContact CB-CE3 4.19Å; F236-W263 VanDerWaalsContact CD1-C 3.43Å; F236-W263 VanDerWaalsContact CD1-CA 3.5Å; F236-W263 HydrophobicContact CD1-CB 3.6Å; F236-W263 HydrophobicContact CD1-CD2 4.3Å; F236-W263 HydrophobicContact CD1-CE3 4.21Å; F236-W263 HydrophobicContact CD1-CG 4.1Å; F236-W263 HydrophobicContact CE1-CB 4.27Å; F236-W263 HydrophobicContact CG-CB 4.22Å; F236-W263 WeakPolarHBondContact CG-O 3.48Å; F236-W263 WeakPolarHBondContact O-CZ3 3.28Å; P249-W263 WeakPolarHBondContact CG-O 3.14Å; F260-W263 HydrophobicContact CB-CB 4.37Å; F260-W263 HydrophobicContact CD1-CB 4.15Å; F260-W263 AromaticContact CD1-CD2 3.66Å; F260-W263 HydrophobicContact CD1-CD2 3.66Å; F260-W263 AromaticContact CD1-CE3 3.79Å; F260-W263 HydrophobicContact CD1-CE3 3.79Å; F260-W263 AromaticContact CD1-CG 3.83Å; F260-W263 HydrophobicContact CD1-CG 3.83Å; F260-W263 HydrophobicContact CD1-CZ3 4.39Å; F260-W263 AromaticContact CE1-CD2 3.99Å; F260-W263 HydrophobicContact CE1-CD2 3.99Å; F260-W263 AromaticContact CE1-CE3 3.79Å; F260-W263 HydrophobicContact CE1-CE3 3.79Å; F260-W263 HydrophobicContact CE1-CH2 4.24Å; F260-W263 HydrophobicContact CE1-CZ2 4.4Å; F260-W263 AromaticContact CE1-CZ3 3.93Å; F260-W263 HydrophobicContact CE1-CZ3 3.93Å; F260-W263 PolarHBondContact O-N 3.37Å
264	N	98.8	Very high	96.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-151.1	165.7	176.1	56.5	79.3	0	0	0	110.2	P249 S252 K261 L262 E266 E267 S268	P249-N264 HydrophobicContact CB-CB 4.29Å; P249-N264 HydrophobicContact CG-CB 3.89Å; P249-N264 WeakPolarHBondContact O-CA 2.96Å; P249-N264 VanDerWaalsContact O-CB 3.32Å; P249-N264 WeakPolarHBondContact O-CB 3.35Å; S252-N264 PolarHBondContact N-ND2 3.04Å; K261-N264 PolarHBondContact O-ND2 3.43Å; L262-N264 VanDerWaalsContact C-N 3.29Å; L262-N264 PolarHBondContact O-N 3.44Å; L262-N264 VanDerWaalsContact O-N 3.13Å; N264-E266 VanDerWaalsContact C-N 3.32Å; N264-E266 PolarHBondContact O-N 2.91Å; N264-E266 PolarHBondContact OD1-N 2.88Å; N264-E267 PolarHBondContact OD1-N 2.85Å; N264-S268 WeakPolarHBondContact O-CB 3.24Å; N264-S268 PolarHBondContact O-N 3.06Å; N264-S268 PolarHBondContact O-OG 3.45Å
265	V	98.9	Very high	96.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-42.9	-177.1	177	0	0	0	0	111.4	P249 L250 S268 S269 I284 W370	P249-V265 WeakPolarHBondContact O-CG2 3.39Å; P249-V265 PolarHBondContact O-N 2Å; L250-V265 HydrophobicContact CD1-CB 4.09Å; L250-V265 HydrophobicContact CD1-CG1 4.15Å; V265-S268 PolarHBondContact O-OG 3.44Å; V265-S269 VanDerWaalsContact O-CB 3.23Å; V265-S269 WeakPolarHBondContact O-CB 3.3Å; V265-S269 PolarHBondContact O-N 3.13Å; V265-S269 VanDerWaalsContact O-N 3.17Å; V265-S269 PolarHBondContact O-OG 2.94Å; V265-I284 HydrophobicContact CG1-CG2 3.57Å; V265-W370 HydrophobicContact CG1-CE3 4.35Å; V265-W370 HydrophobicContact CG1-CH2 4.13Å; V265-W370 HydrophobicContact CG1-CZ3 3.75Å
266	E	98.8	Very high	96.6	Very high	56 Å²	56	48.8 Å²	48.8	26%	0.262	26%	0.257	S	S	.	.	H	α-helix	trans	-64.6	-54.3	-177.1	175.2	167.9	-111.4	0	0	112.8	L250 H251 N264 S269 K270 W370	L250-E266 VanDerWaalsContact O-CB 3.3Å; L250-E266 WeakPolarHBondContact O-CB 3.27Å; L250-E266 PolarHBondContact O-N 2.6Å; H251-E266 IonicContact CE1-OE1 2.8Å; H251-E266 IonicContact CE1-OE2 2.78Å; H251-E266 IonicContact CG-OE2 2.88Å; H251-E266 VanDerWaalsContact ND1-CD 3.34Å; H251-E266 IonicContact ND1-OE1 2.73Å; H251-E266 IonicContact ND1-OE2 2.6Å; H251-E266 PolarHBondContact ND1-OE2 3.25Å; N264-E266 VanDerWaalsContact C-N 3.32Å; N264-E266 PolarHBondContact O-N 2.91Å; N264-E266 PolarHBondContact OD1-N 2.88Å; E266-S269 PolarHBondContact O-OG 3.11Å; E266-K270 WeakPolarHBondContact O-CB 3.21Å; E266-K270 PolarHBondContact O-N 3.29Å; E266-K270 VanDerWaalsContact O-N 3.08Å; E266-W370 HydrophobicContact CB-CZ2 3.95Å; E266-W370 HydrophobicContact CG-CZ2 4.09Å; E266-W370 PolarHBondContact OE1-NE1 3.48Å
267	E	98.6	Very high	96.7	Very high	49 Å²	49	47.5 Å²	47.5	23%	0.229	25%	0.25	C	C	.	.	H	α-helix	trans	-75.7	-35.3	-175.3	-70.2	-61.4	152.5	0	0	112	L262 N264 K270 Y271	L262-E267 HydrophobicContact CD2-CB 4.05Å; L262-E267 HydrophobicContact CD2-CG 4.41Å; N264-E267 PolarHBondContact OD1-N 2.85Å; E267-K270 PolarHBondContact O-N 3.37Å; E267-K270 IonicContact OE1-NZ 3.49Å; E267-K270 PolarHBondContact OE1-NZ 3.21Å; E267-K270 IonicContact OE2-NZ 2.69Å; E267-K270 PolarHBondContact OE2-NZ 2.66Å; E267-Y271 WeakPolarHBondContact O-CB 3.42Å; E267-Y271 PolarHBondContact O-N 3.27Å
268	S	98.7	Very high	97.1	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.007	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-43.3	175.8	61	0	0	0	0	112.5	A208 N264 V265 Y271 W272	A208-S268 VanDerWaalsContact O-CB 3.25Å; A208-S268 WeakPolarHBondContact O-CB 3.32Å; N264-S268 WeakPolarHBondContact O-CB 3.24Å; N264-S268 PolarHBondContact O-N 3.06Å; N264-S268 PolarHBondContact O-OG 3.45Å; V265-S268 PolarHBondContact O-OG 3.44Å; S268-Y271 WeakPolarHBondContact O-CB 3.29Å; S268-Y271 PolarHBondContact O-N 3.27Å; S268-W272 PolarHBondContact O-N 3.18Å
269	S	98.9	Very high	97.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.8	-40.8	177	62.3	0	0	0	0	112.5	L231 V265 E266 Y271 W272 S273 W370 Y376	L231-S269 VanDerWaalsContact CD2-CA 3.48Å; V265-S269 VanDerWaalsContact O-CB 3.23Å; V265-S269 WeakPolarHBondContact O-CB 3.3Å; V265-S269 PolarHBondContact O-N 3.13Å; V265-S269 VanDerWaalsContact O-N 3.17Å; V265-S269 PolarHBondContact O-OG 2.94Å; E266-S269 PolarHBondContact O-OG 3.11Å; S269-Y271 VanDerWaalsContact C-N 3.27Å; S269-Y271 PolarHBondContact O-N 3.1Å; S269-W272 PolarHBondContact O-N 3.03Å; S269-S273 PolarHBondContact O-N 2.61Å; S269-W370 VanDerWaalsContact OG-CH2 3.24Å; S269-W370 WeakPolarHBondContact OG-CH2 3.42Å; S269-Y376 VanDerWaalsContact C-OH 3.24Å; S269-Y376 WeakPolarHBondContact CB-OH 3.35Å; S269-Y376 PolarHBondContact O-OH 3.11Å; S269-Y376 PolarHBondContact OG-OH 3.26Å; S269-Y376 VanDerWaalsContact OG-OH 3.04Å
270	K	98.8	Very high	98.2	Very high	88 Å²	88	45 Å²	45	38%	0.383	22%	0.224	S	C	.	.	H	α-helix	trans	-64.5	-34.7	174.8	-177.6	-179.2	169.3	-163.1	0	111.1	E266 E267 S273 N274 Y376	E266-K270 WeakPolarHBondContact O-CB 3.21Å; E266-K270 PolarHBondContact O-N 3.29Å; E266-K270 VanDerWaalsContact O-N 3.08Å; E267-K270 PolarHBondContact O-N 3.37Å; E267-K270 IonicContact OE1-NZ 3.49Å; E267-K270 PolarHBondContact OE1-NZ 3.21Å; E267-K270 IonicContact OE2-NZ 2.69Å; E267-K270 PolarHBondContact OE2-NZ 2.66Å; K270-S273 PolarHBondContact O-N 3.18Å; K270-N274 WeakPolarHBondContact O-CB 3.29Å; K270-N274 PolarHBondContact O-N 3.04Å; K270-N274 PolarHBondContact O-ND2 3.12Å; K270-Y376 WeakPolarHBondContact CA-OH 3.49Å; K270-Y376 PolarHBondContact N-OH 2.69Å; K270-Y376 VanDerWaalsContact N-OH 3.16Å
271	Y	98.7	Very high	98.4	Very high	55 Å²	55	45.8 Å²	45.8	22%	0.216	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-51.7	173.5	-159.9	-103.5	0	0	0	111	P210 V213 D214 E267 S268 S269 S273 N274 K275	P210-Y271 HydrophobicContact CB-CD1 3.88Å; P210-Y271 HydrophobicContact CB-CD2 4.25Å; P210-Y271 HydrophobicContact CB-CE1 3.68Å; P210-Y271 HydrophobicContact CB-CE2 4.09Å; P210-Y271 HydrophobicContact CB-CG 4.16Å; P210-Y271 HydrophobicContact CG-CD1 4.38Å; P210-Y271 HydrophobicContact CG-CG 4.32Å; V213-Y271 HydrophobicContact CB-CD1 4.23Å; V213-Y271 HydrophobicContact CB-CE1 4.14Å; V213-Y271 HydrophobicContact CG1-CD1 4.07Å; V213-Y271 HydrophobicContact CG1-CE1 4.05Å; D214-Y271 VanDerWaalsContact CG-OH 3.26Å; D214-Y271 PolarHBondContact OD1-OH 3.05Å; D214-Y271 PolarHBondContact OD2-OH 3.19Å; E267-Y271 WeakPolarHBondContact O-CB 3.42Å; E267-Y271 PolarHBondContact O-N 3.27Å; S268-Y271 WeakPolarHBondContact O-CB 3.29Å; S268-Y271 PolarHBondContact O-N 3.27Å; S269-Y271 VanDerWaalsContact C-N 3.27Å; S269-Y271 PolarHBondContact O-N 3.1Å; Y271-S273 VanDerWaalsContact C-N 3.28Å; Y271-S273 PolarHBondContact O-N 2.61Å; Y271-N274 PolarHBondContact O-N 3.25Å; Y271-K275 HydrophobicContact CD1-CG 4.01Å; Y271-K275 HydrophobicContact CE1-CD 4.14Å; Y271-K275 HydrophobicContact CE1-CG 3.92Å; Y271-K275 WeakPolarHBondContact O-CB 3.17Å; Y271-K275 WeakPolarHBondContact O-CG 3.34Å; Y271-K275 PolarHBondContact O-N 2.83Å
272	W	98.9	Very high	98.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.2	-42.4	174.4	-86.4	83.9	0	0	0	112.6	V206 S207 V213 Y217 V219 V229 L231 S268 S269 K275 G276 M277 I282	V206-W272 HydrophobicContact CB-CH2 3.51Å; V206-W272 HydrophobicContact CB-CZ2 3.38Å; V206-W272 HydrophobicContact CB-CZ3 4.47Å; V206-W272 HydrophobicContact CG1-CH2 3.71Å; V206-W272 HydrophobicContact CG1-CZ2 4.13Å; V206-W272 HydrophobicContact CG1-CZ3 4.47Å; V206-W272 HydrophobicContact CG2-CD2 4.31Å; V206-W272 HydrophobicContact CG2-CE3 4.49Å; V206-W272 HydrophobicContact CG2-CH2 3.54Å; V206-W272 HydrophobicContact CG2-CZ2 3.29Å; V206-W272 HydrophobicContact CG2-CZ3 4.13Å; S207-W272 PolarHBondContact O-NE1 3.3Å; V213-W272 HydrophobicContact CG1-CZ2 4.37Å; V213-W272 HydrophobicContact CG2-CZ2 3.88Å; V213-W272 VanDerWaalsContact CG2-NE1 3.3Å; Y217-W272 AromaticContact CD1-CH2 3.77Å; Y217-W272 HydrophobicContact CD1-CH2 3.77Å; Y217-W272 HydrophobicContact CD1-CZ2 4.33Å; Y217-W272 HydrophobicContact CE1-CH2 4.21Å; Y217-W272 AromaticContact CG-CH2 3.99Å; Y217-W272 HydrophobicContact CG-CH2 3.99Å; Y217-W272 HydrophobicContact CG-CZ2 4.31Å; V219-W272 HydrophobicContact CG1-CE3 3.95Å; V219-W272 HydrophobicContact CG1-CZ3 4.22Å; V219-W272 HydrophobicContact CG2-CE3 4.19Å; V219-W272 HydrophobicContact CG2-CH2 4.45Å; V219-W272 HydrophobicContact CG2-CZ3 4.05Å; V229-W272 HydrophobicContact CG1-CZ3 4.26Å; V229-W272 HydrophobicContact CG2-CE3 4.23Å; V229-W272 HydrophobicContact CG2-CZ3 4.37Å; L231-W272 VanDerWaalsContact CD1-CD1 3.44Å; L231-W272 HydrophobicContact CD1-CG 4.24Å; S268-W272 PolarHBondContact O-N 3.18Å; S269-W272 PolarHBondContact O-N 3.03Å; W272-K275 PolarHBondContact O-N 3.1Å; W272-G276 PolarHBondContact O-N 3.49Å; W272-M277 HydrophobicContact CE3-CB 4.18Å; W272-M277 HydrophobicContact CE3-CE 4.26Å; W272-M277 HydrophobicContact CE3-CG 4.45Å; W272-M277 HydrophobicContact CZ3-CE 4.05Å; W272-M277 WeakPolarHBondContact O-CB 3.42Å; W272-M277 PolarHBondContact O-N 3.22Å; W272-M277 VanDerWaalsContact O-N 3.11Å; W272-I282 HydrophobicContact CB-CD1 3.79Å; W272-I282 HydrophobicContact CB-CG1 4.39Å
273	S	98.8	Very high	98.7	Very high	31 Å²	31	39.4 Å²	39.4	22%	0.217	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-47.1	177.8	-169.8	0	0	0	0	112.4	S269 K270 Y271 K275 G276 M277 K279	S269-S273 PolarHBondContact O-N 2.61Å; K270-S273 PolarHBondContact O-N 3.18Å; Y271-S273 VanDerWaalsContact C-N 3.28Å; Y271-S273 PolarHBondContact O-N 2.61Å; S273-K275 PolarHBondContact O-N 3.25Å; S273-G276 PolarHBondContact O-N 3.02Å; S273-M277 WeakPolarHBondContact CA-O 3.33Å; S273-K279 WeakPolarHBondContact OG-CG 3.36Å
274	N	98.7	Very high	98.8	Very high	122 Å²	122	36.5 Å²	36.5	65%	0.652	19%	0.187	S	C	*	.	H	α-helix	trans	-63.4	-30.5	177.4	-71	-17.1	0	0	0	112.3	K270 Y271 G276	K270-N274 WeakPolarHBondContact O-CB 3.29Å; K270-N274 PolarHBondContact O-N 3.04Å; K270-N274 PolarHBondContact O-ND2 3.12Å; Y271-N274 PolarHBondContact O-N 3.25Å; N274-G276 PolarHBondContact O-N 2.74Å
275	K	98.8	Very high	98.8	Very high	67 Å²	67	36.5 Å²	36.5	29%	0.291	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-6.7	174.9	-68.5	-72.1	-63.4	-162.5	0	113.4	D214 V219 P220 Y271 W272 S273	D214-K275 WeakPolarHBondContact OD1-CE 3.32Å; D214-K275 IonicContact OD1-NZ 3.83Å; D214-K275 PolarHBondContact OD1-NZ 3.33Å; V219-K275 HydrophobicContact CB-CB 3.86Å; V219-K275 HydrophobicContact CG1-CB 3.87Å; V219-K275 HydrophobicContact CG2-CB 3.92Å; P220-K275 VanDerWaalsContact CD-O 3.3Å; P220-K275 WeakPolarHBondContact CD-O 3.45Å; P220-K275 VanDerWaalsContact CG-O 3.27Å; P220-K275 WeakPolarHBondContact CG-O 3.18Å; Y271-K275 HydrophobicContact CD1-CG 4.01Å; Y271-K275 HydrophobicContact CE1-CD 4.14Å; Y271-K275 HydrophobicContact CE1-CG 3.92Å; Y271-K275 WeakPolarHBondContact O-CB 3.17Å; Y271-K275 WeakPolarHBondContact O-CG 3.34Å; Y271-K275 PolarHBondContact O-N 2.83Å; W272-K275 PolarHBondContact O-N 3.1Å; S273-K275 PolarHBondContact O-N 3.25Å
276	G	98.8	Very high	98.8	Very high	39 Å²	39	36.5 Å²	36.5	40%	0.402	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	113.2	6.5	170.1	0	0	0	0	0	115.7	W272 S273 N274 P278	W272-G276 PolarHBondContact O-N 3.49Å; S273-G276 PolarHBondContact O-N 3.02Å; N274-G276 PolarHBondContact O-N 2.74Å; G276-P278 WeakPolarHBondContact O-CD 3.46Å
277	M	98.9	Very high	98.8	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.175	C	C	.	.			trans	-79.8	123.8	171.4	-174.1	64.1	68.2	0	0	109.7	V219 A223 V229 W272 S273 K279 Q281 I282	V219-M277 HydrophobicContact CG1-CB 3.71Å; V219-M277 HydrophobicContact CG1-CE 4.46Å; A223-M277 HydrophobicContact CB-CE 3.83Å; A223-M277 HydrophobicContact CB-SD 3.54Å; A223-M277 VanDerWaalsContact CB-SD 3.54Å; V229-M277 HydrophobicContact CG1-CE 3.76Å; V229-M277 HydrophobicContact CG2-CE 4.3Å; V229-M277 HydrophobicContact CG2-CG 4.2Å; W272-M277 HydrophobicContact CE3-CB 4.18Å; W272-M277 HydrophobicContact CE3-CE 4.26Å; W272-M277 HydrophobicContact CE3-CG 4.45Å; W272-M277 HydrophobicContact CZ3-CE 4.05Å; W272-M277 WeakPolarHBondContact O-CB 3.42Å; W272-M277 PolarHBondContact O-N 3.22Å; W272-M277 VanDerWaalsContact O-N 3.11Å; S273-M277 WeakPolarHBondContact CA-O 3.33Å; M277-K279 PolarHBondContact O-N 3.16Å; M277-Q281 HydrophobicContact CG-CB 4.22Å; M277-Q281 HydrophobicContact SD-CB 3.7Å; M277-I282 HydrophobicContact CB-CD1 4.06Å; M277-I282 HydrophobicContact CB-CG1 4.03Å; M277-I282 HydrophobicContact CG-CD1 4.05Å; M277-I282 HydrophobicContact CG-CG1 3.45Å; M277-I282 VanDerWaalsContact CG-CG1 3.45Å
278	P	98.8	Very high	98.8	Very high	61 Å²	61	31.6 Å²	31.6	40%	0.396	16%	0.164	S	C	.	.			trans	-57.1	135.8	175.2	-29.2	39.6	0	0	0	111.4	G276 K280 Q281 I282	G276-P278 WeakPolarHBondContact O-CD 3.46Å; P278-K280 PolarHBondContact O-N 3.13Å; P278-Q281 VanDerWaalsContact CD-OE1 3.29Å; P278-Q281 WeakPolarHBondContact O-CA 3.41Å; P278-Q281 PolarHBondContact O-N 2.91Å; P278-I282 PolarHBondContact O-N 2.61Å
279	K	98.6	Very high	98.8	Very high	66 Å²	66	31.8 Å²	31.8	29%	0.287	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-51.4	-35.5	-179.6	-74.6	-157.5	178.3	-164.7	0	112.8	S273 M277 Q281 I282 E374 Y376 G377	S273-K279 WeakPolarHBondContact OG-CG 3.36Å; M277-K279 PolarHBondContact O-N 3.16Å; K279-Q281 PolarHBondContact O-N 3.14Å; K279-I282 PolarHBondContact O-N 2.94Å; K279-I282 VanDerWaalsContact O-N 3.13Å; K279-E374 WeakPolarHBondContact CD-O 3.41Å; K279-E374 PolarHBondContact NZ-O 3.41Å; K279-E374 IonicContact NZ-OE2 2.92Å; K279-E374 PolarHBondContact NZ-OE2 2.84Å; K279-Y376 HydrophobicContact CB-CD1 3.94Å; K279-Y376 HydrophobicContact CB-CE1 4.2Å; K279-Y376 HydrophobicContact CD-CD1 4.23Å; K279-Y376 HydrophobicContact CD-CE1 3.98Å; K279-Y376 HydrophobicContact CG-CD1 4.07Å; K279-Y376 HydrophobicContact CG-CE1 3.81Å; K279-Y376 CarbonylContact O-C 3.48Å; K279-Y376 WeakPolarHBondContact O-CA 3.37Å; K279-G377 PolarHBondContact O-N 2.78Å
280	K	98.3	Very high	98.8	Very high	90 Å²	90	31.8 Å²	31.8	39%	0.391	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-70.8	-13.6	178.7	-64.4	-60.5	-177	-174.6	0	114.8	E45 P278 K375 G377	E45-K280 IonicContact OE1-NZ 2.6Å; P278-K280 PolarHBondContact O-N 3.13Å; K280-K375 WeakPolarHBondContact CD-O 3.26Å; K280-K375 VanDerWaalsContact CE-O 3.29Å; K280-K375 WeakPolarHBondContact CE-O 3.45Å; K280-K375 PolarHBondContact NZ-O 3.36Å; K280-G377 VanDerWaalsContact O-CA 3.28Å; K280-G377 WeakPolarHBondContact O-CA 3.46Å
281	Q	98.7	Very high	98.8	Very high	40 Å²	40	29.3 Å²	29.3	19%	0.187	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-98.8	-1.6	172	-70.7	176.6	-93.7	0	0	112.5	A223 L226 F228 V229 M277 P278 K279	A223-Q281 PolarHBondContact O-NE2 3.06Å; L226-Q281 PolarHBondContact O-NE2 3.09Å; F228-Q281 CarbonylContact C-O 3.56Å; F228-Q281 WeakPolarHBondContact CA-O 3.3Å; F228-Q281 HydrophobicContact CB-CB 4.39Å; F228-Q281 WeakPolarHBondContact CB-O 3.21Å; V229-Q281 WeakPolarHBondContact CG2-O 3.49Å; V229-Q281 PolarHBondContact N-O 2.89Å; M277-Q281 HydrophobicContact CG-CB 4.22Å; M277-Q281 HydrophobicContact SD-CB 3.7Å; P278-Q281 VanDerWaalsContact CD-OE1 3.29Å; P278-Q281 WeakPolarHBondContact O-CA 3.41Å; P278-Q281 PolarHBondContact O-N 2.91Å; K279-Q281 PolarHBondContact O-N 3.14Å
282	I	98.9	Very high	98.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	111.1	176	-57	167.9	0	0	0	108.1	V229 L231 W272 M277 P278 K279 I284 Y376 G377	V229-I282 HydrophobicContact CG2-CG1 4.35Å; L231-I282 HydrophobicContact CB-CG2 4.19Å; L231-I282 HydrophobicContact CD2-CG2 4.09Å; W272-I282 HydrophobicContact CB-CD1 3.79Å; W272-I282 HydrophobicContact CB-CG1 4.39Å; M277-I282 HydrophobicContact CB-CD1 4.06Å; M277-I282 HydrophobicContact CB-CG1 4.03Å; M277-I282 HydrophobicContact CG-CD1 4.05Å; M277-I282 HydrophobicContact CG-CG1 3.45Å; M277-I282 VanDerWaalsContact CG-CG1 3.45Å; P278-I282 PolarHBondContact O-N 2.61Å; K279-I282 PolarHBondContact O-N 2.94Å; K279-I282 VanDerWaalsContact O-N 3.13Å; I282-I284 HydrophobicContact CG2-CD1 3.92Å; I282-Y376 HydrophobicContact CB-CD1 3.89Å; I282-Y376 HydrophobicContact CB-CE1 4.24Å; I282-Y376 HydrophobicContact CD1-CD1 4.36Å; I282-Y376 HydrophobicContact CD1-CE1 3.92Å; I282-Y376 HydrophobicContact CG2-CD1 4.09Å; I282-Y376 HydrophobicContact CG2-CE1 4.24Å; I282-G377 PolarHBondContact O-N 2.87Å
283	I	98.9	Very high	98.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.1	178.6	-45.5	-46.8	0	0	0	107.9	V48 F228 V229 L231 F380	V48-I283 HydrophobicContact CB-CD1 3.71Å; V48-I283 HydrophobicContact CB-CG1 4.29Å; V48-I283 HydrophobicContact CB-CG2 4.37Å; V48-I283 HydrophobicContact CG1-CD1 4.06Å; V48-I283 HydrophobicContact CG1-CG1 4.07Å; V48-I283 HydrophobicContact CG1-CG2 3.93Å; V48-I283 HydrophobicContact CG2-CD1 3.86Å; F228-I283 HydrophobicContact CB-CD1 4.07Å; F228-I283 HydrophobicContact CB-CG1 3.86Å; F228-I283 HydrophobicContact CD2-CB 4.47Å; F228-I283 HydrophobicContact CD2-CD1 4.31Å; F228-I283 HydrophobicContact CD2-CG1 3.38Å; F228-I283 HydrophobicContact CE2-CG1 4.05Å; F228-I283 HydrophobicContact CG-CD1 4.21Å; F228-I283 HydrophobicContact CG-CG1 3.76Å; V229-I283 WeakPolarHBondContact O-CB 3.44Å; V229-I283 PolarHBondContact O-N 2.88Å; L231-I283 PolarHBondContact N-O 3.25Å; I283-F380 HydrophobicContact CB-CD1 4.33Å; I283-F380 HydrophobicContact CG2-CB 4.11Å; I283-F380 HydrophobicContact CG2-CD1 4.03Å
284	I	98.9	Very high	98.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	127.1	-169.5	-57.7	-61	0	0	0	110.9	L231 V265 I282 L286 W370 I371 Y376 G378 A379 F380	L231-I284 HydrophobicContact CD2-CD1 4.05Å; V265-I284 HydrophobicContact CG1-CG2 3.57Å; I282-I284 HydrophobicContact CG2-CD1 3.92Å; I284-L286 HydrophobicContact CG2-CD2 4.4Å; I284-W370 HydrophobicContact CD1-CH2 4.48Å; I284-W370 HydrophobicContact CD1-CZ3 4.21Å; I284-W370 HydrophobicContact CG1-CZ3 4.12Å; I284-I371 HydrophobicContact CB-CD1 3.69Å; I284-I371 HydrophobicContact CB-CG1 4Å; I284-I371 HydrophobicContact CG1-CD1 4.11Å; I284-I371 HydrophobicContact CG1-CG1 3.86Å; I284-I371 HydrophobicContact CG2-CD1 4.04Å; I284-I371 HydrophobicContact CG2-CG1 4.32Å; I284-Y376 HydrophobicContact CD1-CD1 4.42Å; I284-Y376 HydrophobicContact CD1-CD2 4.42Å; I284-Y376 HydrophobicContact CD1-CG 4.22Å; I284-Y376 HydrophobicContact CG1-CG 4.3Å; I284-G378 PolarHBondContact N-O 3.41Å; I284-A379 CarbonylContact O-C 3.57Å; I284-A379 VanDerWaalsContact O-CA 3.28Å; I284-A379 WeakPolarHBondContact O-CA 3.2Å; I284-F380 PolarHBondContact O-N 3.48Å
285	G	98.9	Very high	98.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	127.2	179.5	0	0	0	0	0	113	L231 S233 F380	L231-G285 WeakPolarHBondContact O-CA 3.43Å; L231-G285 PolarHBondContact O-N 2.66Å; S233-G285 PolarHBondContact OG-N 3.19Å; S233-G285 PolarHBondContact OG-O 2.84Å; G285-F380 VanDerWaalsContact N-CE1 3.3Å
286	L	99	Very high	98.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	111.4	178.5	-55.9	-179.3	0	0	0	109.3	I284 L364 K367 I368 A379 F380 V381 W382 M408	I284-L286 HydrophobicContact CG2-CD2 4.4Å; L286-L364 HydrophobicContact CB-CD2 4.18Å; L286-L364 HydrophobicContact CD1-CD2 4Å; L286-K367 HydrophobicContact CD2-CB 3.91Å; L286-K367 HydrophobicContact CD2-CD 3.83Å; L286-K367 HydrophobicContact CD2-CG 4.47Å; L286-I368 HydrophobicContact CD1-CD1 4.1Å; L286-I368 HydrophobicContact CD1-CG1 3.86Å; L286-A379 HydrophobicContact CD1-CB 3.73Å; L286-A379 HydrophobicContact CG-CB 4.25Å; L286-F380 PolarHBondContact N-O 2.52Å; L286-V381 HydrophobicContact CB-CG1 4.07Å; L286-V381 VanDerWaalsContact O-CA 3.29Å; L286-V381 WeakPolarHBondContact O-CA 3.08Å; L286-W382 PolarHBondContact O-N 2.96Å; L286-W382 VanDerWaalsContact O-N 3.14Å; L286-M408 HydrophobicContact CD1-CG 4.37Å
287	P	98.9	Very high	98.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	135.7	178	32.5	-34.7	0	0	0	110.5	Y234 Y289 D359 W382	Y234-P287 HydrophobicContact CD1-CB 4.3Å; Y234-P287 HydrophobicContact CG-CB 4.27Å; P287-Y289 VanDerWaalsContact C-N 3.33Å; P287-Y289 HydrophobicContact CB-CD1 3.65Å; P287-Y289 HydrophobicContact CB-CE1 3.35Å; P287-Y289 HydrophobicContact CB-CG 4.46Å; P287-D359 HydrophobicContact CG-CB 4.4Å; P287-D359 WeakPolarHBondContact CG-OD2 3.16Å; P287-D359 WeakPolarHBondContact O-CB 3.41Å; P287-W382 WeakPolarHBondContact CA-O 3.35Å
288	T	99	Very high	98.8	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	13%	0.131	C	C	.	.	S	Bend	trans	-99.4	15.9	168.2	51.7	0	0	0	0	111.7	Y325 V381 W382 T383 Y386 D387 L404 I405	T288-Y325 VanDerWaalsContact O-CB 3.3Å; T288-Y325 WeakPolarHBondContact O-CB 3.45Å; T288-Y325 PolarHBondContact O-N 3.35Å; T288-V381 HydrophobicContact CG2-CB 4.39Å; T288-W382 PolarHBondContact N-O 2.79Å; T288-W382 PolarHBondContact OG1-O 3.06Å; T288-T383 PolarHBondContact OG1-N 2.81Å; T288-T383 PolarHBondContact OG1-O 2.96Å; T288-Y386 WeakPolarHBondContact O-CB 3.49Å; T288-Y386 WeakPolarHBondContact OG1-CB 3.15Å; T288-D387 HydrophobicContact CG2-CB 4.31Å; T288-L404 HydrophobicContact CG2-CB 4.25Å; T288-L404 HydrophobicContact CG2-CD1 4.13Å; T288-I405 HydrophobicContact CG2-CD1 4.31Å; T288-I405 HydrophobicContact CG2-CG1 3.9Å
289	Y	98.9	Very high	98.8	Very high	6 Å²	6	25.3 Å²	25.3	2%	0.024	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	169.2	173.2	69.5	-77.5	0	0	0	110.7	Y234 D235 P287 R291 V322 I323 W382 Y386	Y234-Y289 WeakPolarHBondContact CD2-OH 3.27Å; D235-Y289 WeakPolarHBondContact OD1-CE2 3.41Å; D235-Y289 PolarHBondContact OD1-OH 2.85Å; D235-Y289 PolarHBondContact OD2-OH 2.84Å; P287-Y289 VanDerWaalsContact C-N 3.33Å; P287-Y289 HydrophobicContact CB-CD1 3.65Å; P287-Y289 HydrophobicContact CB-CE1 3.35Å; P287-Y289 HydrophobicContact CB-CG 4.46Å; Y289-R291 HydrophobicContact CE2-CG 4.21Å; Y289-V322 HydrophobicContact CD2-CG2 3.76Å; Y289-V322 HydrophobicContact CG-CG2 4.39Å; Y289-I323 CarbonylContact C-O 3.57Å; Y289-I323 WeakPolarHBondContact CA-O 3.44Å; Y289-I323 VanDerWaalsContact CB-O 3.27Å; Y289-I323 WeakPolarHBondContact CB-O 3.27Å; Y289-W382 AromaticContact CD1-CD1 3.78Å; Y289-W382 AromaticContact CE1-CD1 3.44Å; Y289-W382 VanDerWaalsContact CE1-CD1 3.44Å; Y289-W382 HydrophobicContact CE1-CG 4.37Å; Y289-Y386 AromaticContact CD1-CD2 3.88Å; Y289-Y386 HydrophobicContact CD1-CD2 3.88Å; Y289-Y386 AromaticContact CD1-CE2 3.9Å; Y289-Y386 HydrophobicContact CD1-CE2 3.9Å; Y289-Y386 HydrophobicContact CG-CD2 4.08Å; Y289-Y386 HydrophobicContact CG-CE2 4.03Å
290	G	98.9	Very high	98.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	165.3	171.1	0	0	0	0	0	112.7	V322 I323 S357	G290-V322 WeakPolarHBondContact O-CA 3.3Å; G290-I323 PolarHBondContact N-O 3.04Å; G290-I323 PolarHBondContact O-N 2.87Å; G290-S357 CarbonylContact C-O 3.54Å; G290-S357 WeakPolarHBondContact CA-O 3.2Å
291	R	98.9	Very high	98.7	Very high	36 Å²	36	23.8 Å²	23.8	14%	0.136	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	144	172	-67.1	-156.1	174	-85.4	2.8	111.4	D235 H237 N247 Y289 W293 G321 F356 S357	D235-R291 IonicContact OD1-CZ 2.84Å; D235-R291 IonicContact OD1-NE 2.79Å; D235-R291 PolarHBondContact OD1-NE 2.78Å; D235-R291 IonicContact OD1-NH2 3.77Å; D235-R291 PolarHBondContact OD1-NH2 2.71Å; D235-R291 IonicContact OD2-CZ 3.28Å; D235-R291 IonicContact OD2-NE 3.45Å; D235-R291 IonicContact OD2-NH2 3.94Å; D235-R291 PolarHBondContact OD2-NH2 2.76Å; H237-R291 WeakPolarHBondContact O-CD 3.48Å; N247-R291 HydrophobicContact CB-CB 4.41Å; N247-R291 HydrophobicContact CB-CG 4.35Å; Y289-R291 HydrophobicContact CE2-CG 4.21Å; R291-W293 HydrophobicContact CB-CH2 4.34Å; R291-W293 HydrophobicContact CB-CZ3 4.2Å; R291-W293 VanDerWaalsContact O-CZ3 3.31Å; R291-W293 WeakPolarHBondContact O-CZ3 3.37Å; R291-G321 WeakPolarHBondContact CA-O 3.48Å; R291-F356 CarbonylContact O-C 3.6Å; R291-F356 VanDerWaalsContact O-CA 3.24Å; R291-F356 WeakPolarHBondContact O-CA 3.31Å; R291-S357 PolarHBondContact N-O 3.46Å; R291-S357 PolarHBondContact O-N 2.82Å
292	G	98.9	Very high	98.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.4	-165.1	0	0	0	0	0	115.1	S311 G321 W355	G292-S311 WeakPolarHBondContact CA-OG 3.43Å; G292-S311 PolarHBondContact O-N 2.69Å; G292-G321 PolarHBondContact N-O 3.11Å; G292-G321 WeakPolarHBondContact O-CA 3.44Å; G292-W355 CarbonylContact C-O 3.53Å; G292-W355 VanDerWaalsContact CA-O 3.25Å; G292-W355 WeakPolarHBondContact CA-O 3.43Å
293	W	98.9	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	155.6	176.3	-66.8	-99	0	0	0	110.7	H237 G238 E241 K243 T244 G245 R291 A307 G309 W355	H237-W293 HydrophobicContact CB-CH2 4.23Å; H237-W293 HydrophobicContact CB-CZ2 4.39Å; G238-W293 VanDerWaalsContact C-CE2 3.46Å; G238-W293 VanDerWaalsContact N-CZ2 3.31Å; G238-W293 VanDerWaalsContact O-CE2 3.3Å; G238-W293 WeakPolarHBondContact O-CZ2 3.31Å; G238-W293 PolarHBondContact O-NE1 2.86Å; G238-W293 VanDerWaalsContact O-NE1 3.1Å; E241-W293 PolarHBondContact O-NE1 3.24Å; K243-W293 PolarHBondContact O-NE1 3.48Å; T244-W293 HydrophobicContact CG2-CB 4.11Å; T244-W293 HydrophobicContact CG2-CD2 4.3Å; T244-W293 HydrophobicContact CG2-CE3 4.47Å; T244-W293 HydrophobicContact CG2-CG 4.21Å; G245-W293 VanDerWaalsContact O-CH2 3.22Å; G245-W293 WeakPolarHBondContact O-CH2 3.25Å; G245-W293 WeakPolarHBondContact O-CZ3 3.49Å; R291-W293 HydrophobicContact CB-CH2 4.34Å; R291-W293 HydrophobicContact CB-CZ3 4.2Å; R291-W293 VanDerWaalsContact O-CZ3 3.31Å; R291-W293 WeakPolarHBondContact O-CZ3 3.37Å; W293-A307 HydrophobicContact CB-CB 3.78Å; W293-A307 VanDerWaalsContact CD1-CB 3.43Å; W293-A307 HydrophobicContact CG-CB 3.87Å; W293-G309 WeakPolarHBondContact CA-O 3.33Å; W293-W355 AromaticContact CE3-CE3 3.53Å; W293-W355 HydrophobicContact CE3-CE3 3.53Å; W293-W355 AromaticContact CE3-CZ3 3.71Å; W293-W355 HydrophobicContact CE3-CZ3 3.71Å; W293-W355 HydrophobicContact CH2-CZ3 4.34Å; W293-W355 AromaticContact CZ3-CE3 3.8Å; W293-W355 HydrophobicContact CZ3-CE3 3.8Å; W293-W355 AromaticContact CZ3-CZ3 3.45Å; W293-W355 HydrophobicContact CZ3-CZ3 3.45Å; W293-W355 VanDerWaalsContact CZ3-CZ3 3.45Å; W293-W355 PolarHBondContact N-O 2.92Å; W293-W355 PolarHBondContact O-N 3.22Å
294	T	98.9	Very high	98.6	Very high	10 Å²	10	29.6 Å²	29.6	6%	0.061	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	119.1	157.7	-56.8	0	0	0	0	108.6	A307 Q308 G309 S310 N353 Q354	T294-A307 CarbonylContact O-C 3.57Å; T294-A307 WeakPolarHBondContact O-CA 3.45Å; T294-Q308 HydrophobicContact CG2-CG 3.77Å; T294-Q308 WeakPolarHBondContact O-CG 3.48Å; T294-Q308 PolarHBondContact O-N 2.93Å; T294-G309 PolarHBondContact N-O 3.47Å; T294-S310 PolarHBondContact OG1-O 2.65Å; T294-N353 CarbonylContact C-O 3.54Å; T294-N353 WeakPolarHBondContact CA-O 3.45Å; T294-N353 HydrophobicContact CG2-CB 4.26Å; T294-N353 VanDerWaalsContact CG2-ND2 3.33Å; T294-N353 WeakPolarHBondContact CG2-ND2 3.47Å; T294-Q354 PolarHBondContact OG1-NE2 3.45Å; T294-Q354 VanDerWaalsContact OG1-NE2 3.09Å
295	L	98.9	Very high	98.5	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	137.9	176.2	-64.1	172.1	0	0	0	110.4	T244 D297 A305 V350 N353 W355	T244-L295 HydrophobicContact CG2-CD2 3.64Å; L295-D297 PolarHBondContact O-N 2.99Å; L295-A305 HydrophobicContact CD2-CB 3.96Å; L295-V350 HydrophobicContact CD1-CG1 4.37Å; L295-N353 HydrophobicContact CB-CB 4.39Å; L295-N353 PolarHBondContact N-O 2.98Å; L295-W355 HydrophobicContact CD1-CB 4.18Å; L295-W355 HydrophobicContact CD2-CB 3.88Å; L295-W355 HydrophobicContact CD2-CG 4.14Å; L295-W355 HydrophobicContact CG-CB 3.86Å
296	S	98.6	Very high	98.5	Very high	65 Å²	65	32.5 Å²	32.5	46%	0.455	19%	0.191	S	C	.	.	S	Bend	trans	-68.2	-25.8	172	-54.4	0	0	0	0	112.4	P306 A307 Q308	S296-P306 PolarHBondContact N-O 3.28Å; S296-P306 PolarHBondContact OG-O 2.71Å; S296-A307 PolarHBondContact OG-N 3.16Å; S296-Q308 PolarHBondContact OG-N 3.21Å
297	D	98.4	Very high	98.5	Very high	62 Å²	62	33 Å²	33	33%	0.332	20%	0.195	S	C	.	.	S	Bend	trans	-143.9	111.8	179.4	177.4	-7.7	0	0	0	108.8	L295 S299 K300	L295-D297 PolarHBondContact O-N 2.99Å; D297-S299 PolarHBondContact O-N 2.88Å; D297-S299 VanDerWaalsContact O-N 3.08Å; D297-S299 WeakPolarHBondContact OD1-CB 3.36Å; D297-S299 PolarHBondContact OD1-N 2.59Å; D297-S299 PolarHBondContact OD1-OG 3.2Å; D297-S299 PolarHBondContact OD2-OG 2.89Å; D297-K300 HydrophobicContact CB-CD 4.3Å; D297-K300 PolarHBondContact O-N 3.14Å; D297-K300 WeakPolarHBondContact OD2-CE 3.41Å; D297-K300 IonicContact OD2-NZ 2.69Å
298	A	98	Very high	98.4	Very high	56 Å²	56	39.5 Å²	39.5	46%	0.463	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.1	-176.7	0	0	0	0	0	113.7	K300 N353	A298-K300 VanDerWaalsContact C-N 3.3Å; A298-N353 HydrophobicContact CB-CB 4.2Å
299	S	98.2	Very high	98.4	Very high	97 Å²	97	40.6 Å²	40.6	68%	0.678	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-16.5	174.1	73.8	0	0	0	0	113.2	D297	D297-S299 PolarHBondContact O-N 2.88Å; D297-S299 VanDerWaalsContact O-N 3.08Å; D297-S299 WeakPolarHBondContact OD1-CB 3.36Å; D297-S299 PolarHBondContact OD1-N 2.59Å; D297-S299 PolarHBondContact OD1-OG 3.2Å; D297-S299 PolarHBondContact OD2-OG 2.89Å
300	K	98.3	Very high	98.4	Very high	94 Å²	94	42.8 Å²	42.8	41%	0.409	25%	0.253	S	S	.	.			trans	-110.1	99.9	179.7	-65.5	174.2	-170.8	164.1	0	110	D297 A298 Y302 A305	D297-K300 HydrophobicContact CB-CD 4.3Å; D297-K300 PolarHBondContact O-N 3.14Å; D297-K300 WeakPolarHBondContact OD2-CE 3.41Å; D297-K300 IonicContact OD2-NZ 2.69Å; A298-K300 VanDerWaalsContact C-N 3.3Å; K300-Y302 HydrophobicContact CB-CD1 4.46Å; K300-Y302 HydrophobicContact CB-CE1 3.9Å; K300-Y302 HydrophobicContact CG-CE1 4.2Å; K300-A305 HydrophobicContact CB-CB 4.43Å; K300-A305 VanDerWaalsContact O-CB 3.32Å; K300-A305 WeakPolarHBondContact O-CB 3.49Å
301	S	98.2	Very high	98.4	Very high	31 Å²	31	42.8 Å²	42.8	22%	0.217	25%	0.253	C	S	.	.			trans	-126.1	21	-173.4	55.3	0	0	0	0	114.1	Y348 W355	S301-Y348 WeakPolarHBondContact O-CE2 3.46Å; S301-Y348 PolarHBondContact O-OH 3.21Å; S301-W355 PolarHBondContact O-NE1 2.83Å
302	Y	97.5	Very high	98.4	Very high	126 Å²	126	45.6 Å²	45.6	49%	0.494	27%	0.274	S	S	.	.	S	Bend	trans	-75.9	165.5	172.3	55.6	-92.1	0	0	0	111.2	T244 K300 G304 A305	T244-Y302 PolarHBondContact OG1-O 3.15Å; K300-Y302 HydrophobicContact CB-CD1 4.46Å; K300-Y302 HydrophobicContact CB-CE1 3.9Å; K300-Y302 HydrophobicContact CG-CE1 4.2Å; Y302-G304 PolarHBondContact O-N 2.93Å; Y302-A305 HydrophobicContact CD2-CB 4.27Å; Y302-A305 HydrophobicContact CE1-CB 4.44Å; Y302-A305 HydrophobicContact CE2-CB 4.18Å; Y302-A305 HydrophobicContact CG-CB 4.42Å; Y302-A305 WeakPolarHBondContact O-CB 3.12Å; Y302-A305 PolarHBondContact O-N 2.82Å; Y302-A305 VanDerWaalsContact O-N 3.16Å
303	V	98.1	Very high	98.4	Very high	9 Å²	9	47.7 Å²	47.7	6%	0.055	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	126.8	171.9	-178.1	0	0	0	0	109.1	I246 R253 Y348 W355	I246-V303 HydrophobicContact CD1-CB 4.49Å; I246-V303 HydrophobicContact CD1-CG1 3.89Å; I246-V303 HydrophobicContact CD1-CG2 3.71Å; I246-V303 HydrophobicContact CG1-CG1 4.02Å; R253-V303 VanDerWaalsContact NH1-CG1 3.33Å; V303-Y348 HydrophobicContact CG2-CD1 3.99Å; V303-Y348 HydrophobicContact CG2-CE1 3.89Å; V303-W355 HydrophobicContact CG2-CZ2 4.05Å
304	G	97.5	Very high	98.3	Very high	27 Å²	27	48.5 Å²	48.5	28%	0.278	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	5.4	-171.4	0	0	0	0	0	114.1	T244 Y302	T244-G304 WeakPolarHBondContact O-CA 3.33Å; T244-G304 PolarHBondContact O-N 2.92Å; T244-G304 PolarHBondContact OG1-N 2.69Å; Y302-G304 PolarHBondContact O-N 2.93Å
305	A	98.3	Very high	98.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.32	C	S	.	.			trans	-64	141.5	174.7	0	0	0	0	0	111.1	K243 T244 L295 K300 Y302 A307	K243-A305 CarbonylContact C-O 3.58Å; K243-A305 VanDerWaalsContact CA-O 3.22Å; K243-A305 WeakPolarHBondContact CA-O 3.19Å; T244-A305 PolarHBondContact N-O 2.86Å; T244-A305 PolarHBondContact OG1-N 3.42Å; L295-A305 HydrophobicContact CD2-CB 3.96Å; K300-A305 HydrophobicContact CB-CB 4.43Å; K300-A305 VanDerWaalsContact O-CB 3.32Å; K300-A305 WeakPolarHBondContact O-CB 3.49Å; Y302-A305 HydrophobicContact CD2-CB 4.27Å; Y302-A305 HydrophobicContact CE1-CB 4.44Å; Y302-A305 HydrophobicContact CE2-CB 4.18Å; Y302-A305 HydrophobicContact CG-CB 4.42Å; Y302-A305 WeakPolarHBondContact O-CB 3.12Å; Y302-A305 PolarHBondContact O-N 2.82Å; Y302-A305 VanDerWaalsContact O-N 3.16Å; A305-A307 PolarHBondContact O-N 3.24Å
306	P	98.5	Very high	98.3	Very high	61 Å²	61	54.5 Å²	54.5	40%	0.396	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-57.9	136.1	177.6	-24.5	34	0	0	0	112.6	S296	S296-P306 PolarHBondContact N-O 3.28Å; S296-P306 PolarHBondContact OG-O 2.71Å
307	A	98.7	Very high	98.2	Very high	10 Å²	10	52.6 Å²	52.6	8%	0.083	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144	179.2	0	0	0	0	0	110.9	T242 W293 T294 S296 A305	T242-A307 PolarHBondContact O-N 3.47Å; W293-A307 HydrophobicContact CB-CB 3.78Å; W293-A307 VanDerWaalsContact CD1-CB 3.43Å; W293-A307 HydrophobicContact CG-CB 3.87Å; T294-A307 CarbonylContact O-C 3.57Å; T294-A307 WeakPolarHBondContact O-CA 3.45Å; S296-A307 PolarHBondContact OG-N 3.16Å; A305-A307 PolarHBondContact O-N 3.24Å
308	Q	97.7	Very high	98.2	Very high	136 Å²	136	57.7 Å²	57.7	64%	0.636	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	-9.2	176.5	65.2	-179.4	35.7	0	0	113.3	T294 S296	T294-Q308 HydrophobicContact CG2-CG 3.77Å; T294-Q308 WeakPolarHBondContact O-CG 3.48Å; T294-Q308 PolarHBondContact O-N 2.93Å; S296-Q308 PolarHBondContact OG-N 3.21Å
309	G	98	Very high	98.1	Very high	25 Å²	25	60 Å²	60	26%	0.258	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	151.2	-162	-179.3	0	0	0	0	0	111.8	W293 T294	W293-G309 WeakPolarHBondContact CA-O 3.33Å; T294-G309 PolarHBondContact N-O 3.47Å
310	S	98.8	Very high	98.1	Very high	51 Å²	51	57.9 Å²	57.9	36%	0.357	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	150.5	178.1	57.1	0	0	0	0	112.9	T294	T294-S310 PolarHBondContact OG1-O 2.65Å
311	S	98.9	Very high	98.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-60.7	157.3	163.5	59.6	0	0	0	0	110.7	G292 A313 A320 G321 F356	G292-S311 WeakPolarHBondContact CA-OG 3.43Å; G292-S311 PolarHBondContact O-N 2.69Å; S311-A313 PolarHBondContact O-N 3.32Å; S311-A320 WeakPolarHBondContact O-CA 3.34Å; S311-A320 WeakPolarHBondContact O-CB 3.31Å; S311-G321 PolarHBondContact O-N 2.89Å; S311-G321 WeakPolarHBondContact OG-CA 3.29Å; S311-G321 PolarHBondContact OG-N 3.33Å; S311-F356 VanDerWaalsContact CB-CE1 3.44Å; S311-F356 VanDerWaalsContact CB-CZ 3.42Å; S311-F356 WeakPolarHBondContact OG-CE1 3.42Å
312	T	98.7	Very high	98.2	Very high	95 Å²	95	52.2 Å²	52.2	58%	0.583	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-57.5	137.8	168.7	-54.9	0	0	0	0	109.8
313	A	98.6	Very high	98.2	Very high	45 Å²	45	46.2 Å²	46.2	37%	0.372	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-56.4	137.8	173.8	0	0	0	0	0	110.9	S311 A320	S311-A313 PolarHBondContact O-N 3.32Å; A313-A320 HydrophobicContact CB-CB 4.42Å
314	T	98.5	Very high	98.3	Very high	16 Å²	16	45.8 Å²	45.8	10%	0.098	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-87.7	166.2	-178.2	54.8	0	0	0	0	112.1	Y316 R318 I323 E327	T314-Y316 VanDerWaalsContact C-N 3.34Å; T314-Y316 PolarHBondContact O-N 2.9Å; T314-R318 VanDerWaalsContact O-CA 3.29Å; T314-R318 WeakPolarHBondContact O-CA 3.15Å; T314-R318 PolarHBondContact O-N 3.26Å; T314-I323 HydrophobicContact CG2-CB 4.2Å; T314-I323 HydrophobicContact CG2-CD1 3.87Å; T314-I323 HydrophobicContact CG2-CG1 3.83Å; T314-E327 WeakPolarHBondContact CB-OE1 3.45Å; T314-E327 PolarHBondContact OG1-OE1 3.26Å; T314-E327 PolarHBondContact OG1-OE2 3.28Å
315	E	98.1	Very high	98.3	Very high	117 Å²	117	44.9 Å²	44.9	55%	0.547	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-41.9	-168.4	-178.8	-173.8	167.2	0	0	113.4	R318 E327	E315-R318 WeakPolarHBondContact O-CG 3.08Å; E315-R318 PolarHBondContact O-NE 2.94Å; E315-R318 VanDerWaalsContact O-NE 3.14Å; E315-E327 PolarHBondContact N-OE1 2.87Å
316	Y	98.6	Very high	98.4	Very high	22 Å²	22	44.9 Å²	44.9	9%	0.086	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-46.1	-171.3	-62.1	-92.2	0	0	0	112.1	P61 K63 T314 Y326 E327 Q330 F393	P61-Y316 HydrophobicContact CG-CD1 4.1Å; P61-Y316 VanDerWaalsContact O-CD1 3.26Å; P61-Y316 WeakPolarHBondContact O-CD1 3.24Å; P61-Y316 WeakPolarHBondContact O-CE1 3.37Å; K63-Y316 HydrophobicContact CB-CE1 4.48Å; T314-Y316 VanDerWaalsContact C-N 3.34Å; T314-Y316 PolarHBondContact O-N 2.9Å; Y316-Y326 VanDerWaalsContact CB-OH 3.23Å; Y316-Y326 WeakPolarHBondContact CB-OH 3.27Å; Y316-Y326 HydrophobicContact CD1-CE2 4.25Å; Y316-Y326 HydrophobicContact CD2-CD2 4.42Å; Y316-Y326 AromaticContact CD2-CE2 3.69Å; Y316-Y326 HydrophobicContact CD2-CE2 3.69Å; Y316-Y326 HydrophobicContact CE2-CE2 4.42Å; Y316-Y326 AromaticContact CG-CE2 3.61Å; Y316-Y326 HydrophobicContact CG-CE2 3.61Å; Y316-E327 WeakPolarHBondContact CA-OE1 3.44Å; Y316-E327 WeakPolarHBondContact CB-OE1 3.22Å; Y316-E327 HydrophobicContact CD2-CG 3.78Å; Y316-E327 PolarHBondContact N-OE1 3.35Å; Y316-Q330 VanDerWaalsContact CE2-OE1 3.27Å; Y316-F393 HydrophobicContact CE1-CE1 4.35Å; Y316-F393 HydrophobicContact CE1-CZ 4.09Å; Y316-F393 AromaticContact CE2-CE1 3.94Å; Y316-F393 HydrophobicContact CE2-CE1 3.94Å; Y316-F393 HydrophobicContact CE2-CZ 4.4Å; Y316-F393 AromaticContact CZ-CE1 3.69Å; Y316-F393 AromaticContact CZ-CZ 3.9Å
317	L	97.2	Very high	98.4	Very high	24 Å²	24	42.2 Å²	42.2	13%	0.126	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-34.5	179.5	-62.5	-161.7	0	0	0	112.5	R60 E319 V322 S324 E327 Y386	R60-L317 VanDerWaalsContact NE-CD2 3.31Å; L317-E319 PolarHBondContact O-N 3.49Å; L317-E319 VanDerWaalsContact O-N 3.13Å; L317-V322 HydrophobicContact CB-CG1 4.48Å; L317-V322 HydrophobicContact CD1-CG1 4.12Å; L317-V322 HydrophobicContact CD1-CG2 4.08Å; L317-S324 VanDerWaalsContact CD1-N 3.33Å; L317-E327 WeakPolarHBondContact CG-OE2 3.39Å; L317-E327 PolarHBondContact N-OE1 3.5Å; L317-Y386 HydrophobicContact CD1-CD1 4.02Å; L317-Y386 HydrophobicContact CD1-CE1 3.61Å; L317-Y386 HydrophobicContact CD2-CD1 3.73Å; L317-Y386 HydrophobicContact CD2-CE1 3.42Å; L317-Y386 VanDerWaalsContact CD2-CE1 3.42Å; L317-Y386 HydrophobicContact CG-CD1 4.49Å; L317-Y386 HydrophobicContact CG-CE1 4.16Å
318	R	98	Very high	98.4	Very high	169 Å²	169	41.7 Å²	41.7	64%	0.638	23%	0.225	S	C	*	.			trans	55.8	28.5	176.7	-57.7	175.3	174.5	-176.1	-7	113.9	T314 E315	T314-R318 VanDerWaalsContact O-CA 3.29Å; T314-R318 WeakPolarHBondContact O-CA 3.15Å; T314-R318 PolarHBondContact O-N 3.26Å; E315-R318 WeakPolarHBondContact O-CG 3.08Å; E315-R318 PolarHBondContact O-NE 2.94Å; E315-R318 VanDerWaalsContact O-NE 3.14Å
319	E	96.5	Very high	98.4	Very high	105 Å²	105	35.2 Å²	35.2	49%	0.491	20%	0.195	S	C	.	.			trans	-121.7	127.5	175.8	178.5	-175.1	160.3	0	0	108.7	L317 V322	L317-E319 PolarHBondContact O-N 3.49Å; L317-E319 VanDerWaalsContact O-N 3.13Å; E319-V322 HydrophobicContact CB-CG1 3.49Å; E319-V322 VanDerWaalsContact CB-CG1 3.49Å; E319-V322 HydrophobicContact CG-CG1 3.63Å; E319-V322 WeakPolarHBondContact O-CG1 3.45Å
320	A	98.3	Very high	98.5	Very high	53 Å²	53	36.6 Å²	36.6	44%	0.438	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	137.1	180	0	0	0	0	0	110.2	S311 A313	S311-A320 WeakPolarHBondContact O-CA 3.34Å; S311-A320 WeakPolarHBondContact O-CB 3.31Å; A313-A320 HydrophobicContact CB-CB 4.42Å
321	G	98.4	Very high	98.5	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.021	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	3.5	179.2	0	0	0	0	0	115.9	R291 G292 S311	R291-G321 WeakPolarHBondContact CA-O 3.48Å; G292-G321 PolarHBondContact N-O 3.11Å; G292-G321 WeakPolarHBondContact O-CA 3.44Å; S311-G321 PolarHBondContact O-N 2.89Å; S311-G321 WeakPolarHBondContact OG-CA 3.29Å; S311-G321 PolarHBondContact OG-N 3.33Å
322	V	98.6	Very high	98.4	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.024	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152.3	174.1	68.4	0	0	0	0	110.7	Y289 G290 L317 E319	Y289-V322 HydrophobicContact CD2-CG2 3.76Å; Y289-V322 HydrophobicContact CG-CG2 4.39Å; G290-V322 WeakPolarHBondContact O-CA 3.3Å; L317-V322 HydrophobicContact CB-CG1 4.48Å; L317-V322 HydrophobicContact CD1-CG1 4.12Å; L317-V322 HydrophobicContact CD1-CG2 4.08Å; E319-V322 HydrophobicContact CB-CG1 3.49Å; E319-V322 VanDerWaalsContact CB-CG1 3.49Å; E319-V322 HydrophobicContact CG-CG1 3.63Å; E319-V322 WeakPolarHBondContact O-CG1 3.45Å
323	I	98.9	Very high	98.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	140.5	175.1	-170	164.3	0	0	0	110.1	Y289 G290 T314 E327 V328 K331 F356	Y289-I323 CarbonylContact C-O 3.57Å; Y289-I323 WeakPolarHBondContact CA-O 3.44Å; Y289-I323 VanDerWaalsContact CB-O 3.27Å; Y289-I323 WeakPolarHBondContact CB-O 3.27Å; G290-I323 PolarHBondContact N-O 3.04Å; G290-I323 PolarHBondContact O-N 2.87Å; T314-I323 HydrophobicContact CG2-CB 4.2Å; T314-I323 HydrophobicContact CG2-CD1 3.87Å; T314-I323 HydrophobicContact CG2-CG1 3.83Å; I323-E327 HydrophobicContact CD1-CB 3.93Å; I323-E327 HydrophobicContact CG1-CB 3.5Å; I323-E327 VanDerWaalsContact CG1-CB 3.5Å; I323-V328 HydrophobicContact CD1-CG2 3.8Å; I323-V328 HydrophobicContact CG1-CG2 3.95Å; I323-V328 HydrophobicContact CG2-CG2 3.76Å; I323-K331 HydrophobicContact CD1-CD 3.67Å; I323-K331 HydrophobicContact CD1-CG 4.46Å; I323-F356 HydrophobicContact CB-CD1 3.75Å; I323-F356 HydrophobicContact CB-CE1 3.8Å; I323-F356 HydrophobicContact CD1-CD1 4.27Å; I323-F356 HydrophobicContact CD1-CE1 4.13Å; I323-F356 HydrophobicContact CD1-CE2 4.39Å; I323-F356 HydrophobicContact CD1-CG 4.45Å; I323-F356 HydrophobicContact CD1-CZ 4.2Å; I323-F356 HydrophobicContact CG2-CB 4.08Å; I323-F356 HydrophobicContact CG2-CD1 3.38Å; I323-F356 HydrophobicContact CG2-CE1 3.99Å; I323-F356 HydrophobicContact CG2-CG 3.92Å
324	S	99	Very high	98.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	159.1	171.7	58.1	0	0	0	0	111.8	L317 Y326 E327 V328	L317-S324 VanDerWaalsContact CD1-N 3.33Å; S324-Y326 VanDerWaalsContact C-N 3.28Å; S324-Y326 VanDerWaalsContact CB-CE1 3.4Å; S324-Y326 PolarHBondContact O-N 3.37Å; S324-Y326 WeakPolarHBondContact OG-CD1 3.19Å; S324-Y326 WeakPolarHBondContact OG-CD2 3.13Å; S324-Y326 VanDerWaalsContact OG-CE1 3.26Å; S324-Y326 WeakPolarHBondContact OG-CE1 3.17Å; S324-Y326 VanDerWaalsContact OG-CE2 3.23Å; S324-Y326 WeakPolarHBondContact OG-CE2 3.49Å; S324-E327 PolarHBondContact N-OE2 3.2Å; S324-E327 PolarHBondContact O-N 3.02Å; S324-E327 WeakPolarHBondContact OG-CB 3.15Å; S324-E327 VanDerWaalsContact OG-CD 3.24Å; S324-E327 WeakPolarHBondContact OG-CG 3.39Å; S324-E327 PolarHBondContact OG-N 2.68Å; S324-E327 PolarHBondContact OG-OE2 2.98Å; S324-V328 PolarHBondContact O-N 3.12Å
325	Y	99	Very high	98.3	Very high	7 Å²	7	42 Å²	42	3%	0.027	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-41.4	174.5	178.6	-114	0	0	0	112.3	T288 E327 V328 C329 Y358 D359 D360 Y386 C394 Q396 H397 P403 L404	T288-Y325 VanDerWaalsContact O-CB 3.3Å; T288-Y325 WeakPolarHBondContact O-CB 3.45Å; T288-Y325 PolarHBondContact O-N 3.35Å; Y325-E327 VanDerWaalsContact C-N 3.31Å; Y325-E327 PolarHBondContact O-N 3.29Å; Y325-V328 WeakPolarHBondContact O-CB 3.31Å; Y325-V328 PolarHBondContact O-N 3.03Å; Y325-V328 VanDerWaalsContact O-N 3.12Å; Y325-C329 PolarHBondContact O-N 3.18Å; Y325-Y358 HydrophobicContact CD2-CD2 4.23Å; Y325-Y358 HydrophobicContact CD2-CE2 4.41Å; Y325-Y358 HydrophobicContact CE2-CD2 4.47Å; Y325-Y358 HydrophobicContact CE2-CE2 4.21Å; Y325-D359 WeakPolarHBondContact CD2-O 3.11Å; Y325-D360 HydrophobicContact CE2-CB 3.75Å; Y325-Y386 WeakPolarHBondContact CB-O 3.23Å; Y325-Y386 PolarHBondContact N-O 3.37Å; Y325-Y386 VanDerWaalsContact N-O 3.07Å; Y325-C394 WeakPolarHBondContact CE1-SG 3.3Å; Y325-Q396 PolarHBondContact OH-NE2 3.31Å; Y325-H397 AromaticContact CE1-NE2 3.99Å; Y325-H397 AromaticContact CZ-NE2 3.8Å; Y325-H397 PolarHBondContact OH-NE2 2.88Å; Y325-P403 HydrophobicContact CD1-CG 4.36Å; Y325-P403 HydrophobicContact CE1-CG 3.78Å; Y325-L404 HydrophobicContact CD1-CD1 3.72Å; Y325-L404 HydrophobicContact CD1-CD2 4.15Å; Y325-L404 HydrophobicContact CD1-CG 3.69Å; Y325-L404 HydrophobicContact CD2-CD1 3.72Å; Y325-L404 HydrophobicContact CD2-CD2 4.39Å; Y325-L404 HydrophobicContact CD2-CG 4.33Å; Y325-L404 HydrophobicContact CE1-CD1 4.23Å; Y325-L404 HydrophobicContact CE1-CD2 3.79Å; Y325-L404 HydrophobicContact CE1-CG 3.82Å; Y325-L404 HydrophobicContact CE2-CD1 4.22Å; Y325-L404 HydrophobicContact CE2-CD2 4.05Å; Y325-L404 HydrophobicContact CE2-CG 4.45Å; Y325-L404 HydrophobicContact CG-CD1 3.45Å; Y325-L404 VanDerWaalsContact CG-CD1 3.45Å; Y325-L404 HydrophobicContact CG-CD2 4.44Å; Y325-L404 HydrophobicContact CG-CG 3.97Å
326	Y	98.8	Very high	98.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-31.7	178.9	65.9	-103.3	0	0	0	113	Y316 S324 C329 Q330 D385 Y386 D387 F389 F393	Y316-Y326 VanDerWaalsContact CB-OH 3.23Å; Y316-Y326 WeakPolarHBondContact CB-OH 3.27Å; Y316-Y326 HydrophobicContact CD1-CE2 4.25Å; Y316-Y326 HydrophobicContact CD2-CD2 4.42Å; Y316-Y326 AromaticContact CD2-CE2 3.69Å; Y316-Y326 HydrophobicContact CD2-CE2 3.69Å; Y316-Y326 HydrophobicContact CE2-CE2 4.42Å; Y316-Y326 AromaticContact CG-CE2 3.61Å; Y316-Y326 HydrophobicContact CG-CE2 3.61Å; S324-Y326 VanDerWaalsContact C-N 3.28Å; S324-Y326 VanDerWaalsContact CB-CE1 3.4Å; S324-Y326 PolarHBondContact O-N 3.37Å; S324-Y326 WeakPolarHBondContact OG-CD1 3.19Å; S324-Y326 WeakPolarHBondContact OG-CD2 3.13Å; S324-Y326 VanDerWaalsContact OG-CE1 3.26Å; S324-Y326 WeakPolarHBondContact OG-CE1 3.17Å; S324-Y326 VanDerWaalsContact OG-CE2 3.23Å; S324-Y326 WeakPolarHBondContact OG-CE2 3.49Å; Y326-C329 WeakPolarHBondContact O-CB 3.33Å; Y326-C329 PolarHBondContact O-N 3.07Å; Y326-Q330 PolarHBondContact O-N 3.1Å; Y326-Q330 VanDerWaalsContact O-N 3.13Å; Y326-D385 WeakPolarHBondContact CE1-O 3.39Å; Y326-Y386 VanDerWaalsContact CD1-O 3.26Å; Y326-Y386 WeakPolarHBondContact CD1-O 3.41Å; Y326-Y386 PolarHBondContact N-O 3.38Å; Y326-D387 WeakPolarHBondContact CD1-O 3.38Å; Y326-F389 HydrophobicContact CE1-CE1 4.42Å; Y326-F393 HydrophobicContact CD2-CD1 4.19Å; Y326-F393 HydrophobicContact CD2-CD2 4.11Å; Y326-F393 HydrophobicContact CD2-CE1 4.05Å; Y326-F393 AromaticContact CD2-CE2 3.98Å; Y326-F393 HydrophobicContact CD2-CE2 3.98Å; Y326-F393 HydrophobicContact CD2-CG 4.2Å; Y326-F393 AromaticContact CD2-CZ 3.91Å; Y326-F393 HydrophobicContact CD2-CZ 3.91Å; Y326-F393 HydrophobicContact CE2-CZ 4.3Å; Y326-F393 HydrophobicContact CG-CD2 4.06Å; Y326-F393 HydrophobicContact CG-CE2 4.21Å; Y326-F393 HydrophobicContact CG-CG 4.33Å
327	E	98.9	Very high	98.4	Very high	5 Å²	5	42.4 Å²	42.4	2%	0.023	24%	0.238	C	C	.	.	H	α-helix	trans	-72.3	-33	171.9	-75.8	168	140	0	0	112.4	T314 E315 Y316 L317 I323 S324 Y325 C329 Q330 K331	T314-E327 WeakPolarHBondContact CB-OE1 3.45Å; T314-E327 PolarHBondContact OG1-OE1 3.26Å; T314-E327 PolarHBondContact OG1-OE2 3.28Å; E315-E327 PolarHBondContact N-OE1 2.87Å; Y316-E327 WeakPolarHBondContact CA-OE1 3.44Å; Y316-E327 WeakPolarHBondContact CB-OE1 3.22Å; Y316-E327 HydrophobicContact CD2-CG 3.78Å; Y316-E327 PolarHBondContact N-OE1 3.35Å; L317-E327 WeakPolarHBondContact CG-OE2 3.39Å; L317-E327 PolarHBondContact N-OE1 3.5Å; I323-E327 HydrophobicContact CD1-CB 3.93Å; I323-E327 HydrophobicContact CG1-CB 3.5Å; I323-E327 VanDerWaalsContact CG1-CB 3.5Å; S324-E327 PolarHBondContact N-OE2 3.2Å; S324-E327 PolarHBondContact O-N 3.02Å; S324-E327 WeakPolarHBondContact OG-CB 3.15Å; S324-E327 VanDerWaalsContact OG-CD 3.24Å; S324-E327 WeakPolarHBondContact OG-CG 3.39Å; S324-E327 PolarHBondContact OG-N 2.68Å; S324-E327 PolarHBondContact OG-OE2 2.98Å; Y325-E327 VanDerWaalsContact C-N 3.31Å; Y325-E327 PolarHBondContact O-N 3.29Å; E327-C329 VanDerWaalsContact C-N 3.3Å; E327-Q330 PolarHBondContact O-N 2.93Å; E327-K331 PolarHBondContact O-N 3.24Å
328	V	98.9	Very high	98.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.6	-43.4	169.3	175.3	0	0	0	0	110.1	I323 S324 Y325 Q330 K331 L332 V349 Y358	I323-V328 HydrophobicContact CD1-CG2 3.8Å; I323-V328 HydrophobicContact CG1-CG2 3.95Å; I323-V328 HydrophobicContact CG2-CG2 3.76Å; S324-V328 PolarHBondContact O-N 3.12Å; Y325-V328 WeakPolarHBondContact O-CB 3.31Å; Y325-V328 PolarHBondContact O-N 3.03Å; Y325-V328 VanDerWaalsContact O-N 3.12Å; V328-Q330 VanDerWaalsContact C-N 3.32Å; V328-Q330 PolarHBondContact O-N 2.75Å; V328-K331 WeakPolarHBondContact O-CB 3.39Å; V328-K331 PolarHBondContact O-N 2.74Å; V328-K331 VanDerWaalsContact O-N 3.12Å; V328-L332 HydrophobicContact CG1-CD1 4.05Å; V328-L332 HydrophobicContact CG1-CG 4.23Å; V328-L332 WeakPolarHBondContact O-CG 3.44Å; V328-L332 PolarHBondContact O-N 2.94Å; V328-V349 HydrophobicContact CG1-CG1 4.05Å; V328-V349 HydrophobicContact CG2-CG1 4.5Å; V328-Y358 HydrophobicContact CB-CD2 4.22Å; V328-Y358 HydrophobicContact CB-CE2 4.36Å; V328-Y358 HydrophobicContact CG1-CD1 4.26Å; V328-Y358 HydrophobicContact CG1-CD2 3.77Å; V328-Y358 HydrophobicContact CG1-CE1 4.04Å; V328-Y358 HydrophobicContact CG1-CE2 3.5Å; V328-Y358 VanDerWaalsContact CG1-CE2 3.5Å; V328-Y358 HydrophobicContact CG1-CG 4.15Å; V328-Y358 HydrophobicContact CG2-CD2 4.06Å; V328-Y358 HydrophobicContact CG2-CG 4.02Å
329	C	98.8	Very high	98.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59	-39.7	175.1	-68.2	0	0	0	0	113.1	Y325 Y326 E327 L332 S333 C394 Q396	Y325-C329 PolarHBondContact O-N 3.18Å; Y326-C329 WeakPolarHBondContact O-CB 3.33Å; Y326-C329 PolarHBondContact O-N 3.07Å; E327-C329 VanDerWaalsContact C-N 3.3Å; C329-L332 PolarHBondContact O-N 2.92Å; C329-S333 WeakPolarHBondContact O-CB 3.28Å; C329-S333 PolarHBondContact O-N 3.25Å; C329-S333 PolarHBondContact O-OG 2.94Å; C329-C394 HydrophobicContact CB-CB 3.82Å; C329-C394 WeakPolarHBondContact CB-SG 3.44Å; C329-C394 WeakPolarHBondContact SG-CB 3.15Å; C329-C394 CovalentContact SG-SG 2.03Å; C329-C394 PolarHBondContact SG-SG 3.46Å; C329-Q396 PolarHBondContact SG-NE2 3.1Å
330	Q	98.4	Very high	98.6	Very high	54 Å²	54	36.5 Å²	36.5	25%	0.252	21%	0.213	S	C	.	.	H	α-helix	trans	-64.2	-41.4	173.8	-69.3	-179.1	-65	0	0	112.2	Y316 Y326 E327 V328 S333 S334 F393	Y316-Q330 VanDerWaalsContact CE2-OE1 3.27Å; Y326-Q330 PolarHBondContact O-N 3.1Å; Y326-Q330 VanDerWaalsContact O-N 3.13Å; E327-Q330 PolarHBondContact O-N 2.93Å; V328-Q330 VanDerWaalsContact C-N 3.32Å; V328-Q330 PolarHBondContact O-N 2.75Å; Q330-S333 PolarHBondContact O-N 3.24Å; Q330-S334 WeakPolarHBondContact O-CB 2.91Å; Q330-S334 PolarHBondContact O-N 3.46Å; Q330-S334 PolarHBondContact O-OG 2.96Å; Q330-F393 HydrophobicContact CG-CD1 3.74Å; Q330-F393 HydrophobicContact CG-CE1 4.41Å
331	K	98.6	Very high	98.6	Very high	41 Å²	41	34.9 Å²	34.9	18%	0.178	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-44.9	175.2	-75.2	-171.1	172.7	-62.2	0	111.8	I323 E327 V328 S333 S334 G335 A336 F356	I323-K331 HydrophobicContact CD1-CD 3.67Å; I323-K331 HydrophobicContact CD1-CG 4.46Å; E327-K331 PolarHBondContact O-N 3.24Å; V328-K331 WeakPolarHBondContact O-CB 3.39Å; V328-K331 PolarHBondContact O-N 2.74Å; V328-K331 VanDerWaalsContact O-N 3.12Å; K331-S333 VanDerWaalsContact C-N 3.35Å; K331-S333 PolarHBondContact O-N 2.9Å; K331-S334 CarbonylContact O-C 3.59Å; K331-S334 WeakPolarHBondContact O-CA 3.44Å; K331-S334 PolarHBondContact O-N 3.4Å; K331-S334 VanDerWaalsContact O-N 3.07Å; K331-G335 PolarHBondContact O-N 2.86Å; K331-A336 VanDerWaalsContact C-CB 3.5Å; K331-A336 HydrophobicContact CB-CB 3.93Å; K331-A336 WeakPolarHBondContact O-CB 3.23Å; K331-A336 PolarHBondContact O-N 2.94Å; K331-F356 HydrophobicContact CD-CD2 4.48Å; K331-F356 HydrophobicContact CD-CE2 4.07Å
332	L	98.6	Very high	98.6	Very high	45 Å²	45	40.4 Å²	40.4	24%	0.236	22%	0.222	C	C	.	.	H	α-helix	trans	-60.4	-44.8	176	-68.6	173.2	0	0	0	111.3	V328 C329 S334 G335 R338 V349	V328-L332 HydrophobicContact CG1-CD1 4.05Å; V328-L332 HydrophobicContact CG1-CG 4.23Å; V328-L332 WeakPolarHBondContact O-CG 3.44Å; V328-L332 PolarHBondContact O-N 2.94Å; C329-L332 PolarHBondContact O-N 2.92Å; L332-S334 PolarHBondContact O-N 2.98Å; L332-G335 PolarHBondContact O-N 2.76Å; L332-R338 HydrophobicContact CD2-CB 3.87Å; L332-V349 HydrophobicContact CD2-CG2 3.82Å
333	S	97.8	Very high	98.6	Very high	76 Å²	76	43.5 Å²	43.5	53%	0.531	24%	0.236	S	C	.	.	H	α-helix	trans	-62.1	-25.7	175.5	-59.2	0	0	0	0	112.7	C329 Q330 K331 G335	C329-S333 WeakPolarHBondContact O-CB 3.28Å; C329-S333 PolarHBondContact O-N 3.25Å; C329-S333 PolarHBondContact O-OG 2.94Å; Q330-S333 PolarHBondContact O-N 3.24Å; K331-S333 VanDerWaalsContact C-N 3.35Å; K331-S333 PolarHBondContact O-N 2.9Å; S333-G335 VanDerWaalsContact C-N 3.33Å
334	S	97.9	Very high	98.6	Very high	89 Å²	89	43.5 Å²	43.5	62%	0.622	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	13.8	176.3	-53.1	0	0	0	0	113.5	Q330 K331 L332	Q330-S334 WeakPolarHBondContact O-CB 2.91Å; Q330-S334 PolarHBondContact O-N 3.46Å; Q330-S334 PolarHBondContact O-OG 2.96Å; K331-S334 CarbonylContact O-C 3.59Å; K331-S334 WeakPolarHBondContact O-CA 3.44Å; K331-S334 PolarHBondContact O-N 3.4Å; K331-S334 VanDerWaalsContact O-N 3.07Å; L332-S334 PolarHBondContact O-N 2.98Å
335	G	98.2	Very high	98.6	Very high	68 Å²	68	46.1 Å²	46.1	70%	0.701	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.2	15.2	174.3	0	0	0	0	0	115.7	K331 L332 S333	K331-G335 PolarHBondContact O-N 2.86Å; L332-G335 PolarHBondContact O-N 2.76Å; S333-G335 VanDerWaalsContact C-N 3.33Å
336	A	98.6	Very high	98.6	Very high	11 Å²	11	45.8 Å²	45.8	9%	0.091	25%	0.247	C	C	.	.			trans	-64.3	145.1	171	0	0	0	0	0	111.6	K331 V349 Q351	K331-A336 VanDerWaalsContact C-CB 3.5Å; K331-A336 HydrophobicContact CB-CB 3.93Å; K331-A336 WeakPolarHBondContact O-CB 3.23Å; K331-A336 PolarHBondContact O-N 2.94Å; A336-V349 HydrophobicContact CB-CG2 3.57Å; A336-Q351 HydrophobicContact CB-CB 3.86Å; A336-Q351 HydrophobicContact CB-CG 4.21Å
337	K	98.7	Very high	98.6	Very high	137 Å²	137	45.8 Å²	45.8	60%	0.596	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	115.3	-178.7	-177.6	-175.4	177.1	-173.2	0	110.3	V339 V349 V350	K337-V339 HydrophobicContact CD-CG2 4.38Å; K337-V339 HydrophobicContact CG-CG2 4.32Å; K337-V349 WeakPolarHBondContact O-CA 3.34Å; K337-V350 PolarHBondContact N-O 3.38Å; K337-V350 PolarHBondContact O-N 3.11Å
338	R	98.7	Very high	98.6	Very high	85 Å²	85	46.6 Å²	46.6	32%	0.321	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	139.8	165.6	-177.1	178.1	-179.8	-89	3.5	110.4	L332 P347 Y358 D360 E362	L332-R338 HydrophobicContact CD2-CB 3.87Å; R338-P347 HydrophobicContact CG-CB 4.35Å; R338-Y358 WeakPolarHBondContact CD-OH 3.34Å; R338-Y358 WeakPolarHBondContact CG-OH 3.37Å; R338-Y358 PolarHBondContact NE-OH 2.79Å; R338-D360 IonicContact CZ-OD2 2.84Å; R338-D360 IonicContact NE-OD2 2.66Å; R338-D360 PolarHBondContact NE-OD2 2.97Å; R338-D360 IonicContact NH2-OD1 2.68Å; R338-D360 PolarHBondContact NH2-OD1 3.26Å; R338-D360 IonicContact NH2-OD2 3.61Å; R338-D360 PolarHBondContact NH2-OD2 3.18Å; R338-E362 IonicContact CZ-OE2 3.47Å; R338-E362 IonicContact NH1-OE2 2.71Å; R338-E362 PolarHBondContact NH1-OE2 3.11Å; R338-E362 IonicContact NH2-OE2 3.13Å; R338-E362 PolarHBondContact NH2-OE2 3.24Å
339	V	98.8	Very high	98.6	Very high	33 Å²	33	46.7 Å²	46.7	20%	0.2	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.7	168.6	-175.9	0	0	0	0	108.4	K337 P347 Y348	K337-V339 HydrophobicContact CD-CG2 4.38Å; K337-V339 HydrophobicContact CG-CG2 4.32Å; V339-P347 CarbonylContact O-C 3.57Å; V339-P347 VanDerWaalsContact O-CA 3.23Å; V339-P347 WeakPolarHBondContact O-CA 3.42Å; V339-Y348 HydrophobicContact CB-CD1 4.06Å; V339-Y348 HydrophobicContact CB-CD2 4.12Å; V339-Y348 HydrophobicContact CB-CE1 3.58Å; V339-Y348 HydrophobicContact CB-CE2 3.65Å; V339-Y348 HydrophobicContact CB-CG 4.32Å; V339-Y348 HydrophobicContact CG1-CD1 4.35Å; V339-Y348 HydrophobicContact CG1-CE1 3.5Å; V339-Y348 HydrophobicContact CG1-CE2 4.25Å; V339-Y348 VanDerWaalsContact CG1-CZ 3.46Å; V339-Y348 WeakPolarHBondContact CG1-OH 3.44Å; V339-Y348 HydrophobicContact CG2-CD2 4.41Å; V339-Y348 HydrophobicContact CG2-CE1 4.47Å; V339-Y348 HydrophobicContact CG2-CE2 3.72Å; V339-Y348 PolarHBondContact N-O 3.27Å; V339-Y348 PolarHBondContact O-N 3.5Å
340	W	98.8	Very high	98.6	Very high	57 Å²	57	47.4 Å²	47.4	22%	0.216	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.3	173.3	177.2	-104.8	0	0	0	109.5	E342 K345 P347 E362	W340-E342 PolarHBondContact NE1-OE2 3.49Å; W340-K345 HydrophobicContact CH2-CB 4.24Å; W340-K345 WeakPolarHBondContact CH2-O 3.42Å; W340-K345 HydrophobicContact CZ2-CB 4.04Å; W340-K345 HydrophobicContact CZ2-CD 3.8Å; W340-P347 HydrophobicContact CE3-CB 4.34Å; W340-E362 HydrophobicContact CE3-CB 4.45Å; W340-E362 HydrophobicContact CE3-CG 4.21Å; W340-E362 HydrophobicContact CH2-CB 4.13Å; W340-E362 HydrophobicContact CH2-CG 3.64Å; W340-E362 HydrophobicContact CZ2-CG 4.1Å; W340-E362 HydrophobicContact CZ3-CB 3.81Å; W340-E362 HydrophobicContact CZ3-CG 3.69Å
341	D	98.7	Very high	98.6	Very high	18 Å²	18	47.8 Å²	47.8	10%	0.096	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.9	169.6	-174	-80.9	0	0	0	109.3	R253 E343 S344 K345 T346	R253-D341 IonicContact CZ-OD2 3.9Å; R253-D341 IonicContact NE-OD1 3.58Å; R253-D341 IonicContact NE-OD2 3.63Å; R253-D341 PolarHBondContact NE-OD2 2.86Å; R253-D341 IonicContact NH2-OD2 3.58Å; D341-E343 VanDerWaalsContact C-N 3.31Å; D341-E343 PolarHBondContact O-N 2.68Å; D341-E343 PolarHBondContact OD1-N 2.69Å; D341-E343 VanDerWaalsContact OD1-N 3.13Å; D341-S344 PolarHBondContact OD1-N 2.63Å; D341-S344 PolarHBondContact OD1-OG 3Å; D341-S344 VanDerWaalsContact OD1-OG 3.11Å; D341-K345 WeakPolarHBondContact O-CA 3.27Å; D341-K345 PolarHBondContact O-N 3.29Å; D341-T346 PolarHBondContact N-O 3.46Å; D341-T346 PolarHBondContact O-N 2.85Å
342	E	98.4	Very high	98.6	Very high	118 Å²	118	48.6 Å²	48.6	55%	0.551	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-23.7	-173.5	-179.4	58.2	-170.1	0	0	112.9	W340 K345	W340-E342 PolarHBondContact NE1-OE2 3.49Å; E342-K345 WeakPolarHBondContact O-CE 3.27Å; E342-K345 IonicContact OE1-NZ 3.14Å; E342-K345 PolarHBondContact OE1-NZ 2.8Å; E342-K345 IonicContact OE2-NZ 3.72Å; E342-K345 PolarHBondContact OE2-NZ 3.25Å
343	E	98.3	Very high	98.6	Very high	69 Å²	69	49.6 Å²	49.6	32%	0.322	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-49.5	179.7	-65.3	-170.2	70.2	0	0	110.9	R253 K254 D341	R253-E343 HydrophobicContact CB-CB 4.3Å; R253-E343 HydrophobicContact CG-CB 4Å; K254-E343 WeakPolarHBondContact CB-OE1 3.27Å; K254-E343 WeakPolarHBondContact CD-OE1 3.3Å; K254-E343 WeakPolarHBondContact CG-OE1 3.22Å; K254-E343 PolarHBondContact N-OE1 3.12Å; D341-E343 VanDerWaalsContact C-N 3.31Å; D341-E343 PolarHBondContact O-N 2.68Å; D341-E343 PolarHBondContact OD1-N 2.69Å; D341-E343 VanDerWaalsContact OD1-N 3.13Å
344	S	98.7	Very high	98.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.9	180	68.9	0	0	0	0	114	L250 D341 T346	L250-S344 WeakPolarHBondContact CB-O 3.19Å; L250-S344 PolarHBondContact N-O 3.27Å; D341-S344 PolarHBondContact OD1-N 2.63Å; D341-S344 PolarHBondContact OD1-OG 3Å; D341-S344 VanDerWaalsContact OD1-OG 3.11Å; S344-T346 VanDerWaalsContact C-N 3.31Å; S344-T346 PolarHBondContact O-N 3.35Å; S344-T346 PolarHBondContact OG-OG1 2.76Å
345	K	98.9	Very high	98.7	Very high	55 Å²	55	42.7 Å²	42.7	24%	0.239	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	42.2	-173.3	-58.5	-67.6	178.7	177.9	0	112.7	L250 W340 D341 E342 S363 A366	L250-K345 HydrophobicContact CB-CB 4.19Å; L250-K345 HydrophobicContact CD2-CB 4.23Å; L250-K345 HydrophobicContact CD2-CG 4.35Å; W340-K345 HydrophobicContact CH2-CB 4.24Å; W340-K345 WeakPolarHBondContact CH2-O 3.42Å; W340-K345 HydrophobicContact CZ2-CB 4.04Å; W340-K345 HydrophobicContact CZ2-CD 3.8Å; D341-K345 WeakPolarHBondContact O-CA 3.27Å; D341-K345 PolarHBondContact O-N 3.29Å; E342-K345 WeakPolarHBondContact O-CE 3.27Å; E342-K345 IonicContact OE1-NZ 3.14Å; E342-K345 PolarHBondContact OE1-NZ 2.8Å; E342-K345 IonicContact OE2-NZ 3.72Å; E342-K345 PolarHBondContact OE2-NZ 3.25Å; K345-S363 WeakPolarHBondContact O-CB 3.21Å; K345-A366 HydrophobicContact CB-CB 4.27Å
346	T	98.9	Very high	98.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	149.3	178.1	59.7	0	0	0	0	111.4	I246 S248 D341 S344	I246-T346 HydrophobicContact CG2-CG2 4Å; I246-T346 WeakPolarHBondContact CG2-OG1 3.1Å; S248-T346 VanDerWaalsContact O-CG2 3.3Å; S248-T346 WeakPolarHBondContact O-CG2 3.38Å; D341-T346 PolarHBondContact N-O 3.46Å; D341-T346 PolarHBondContact O-N 2.85Å; S344-T346 VanDerWaalsContact C-N 3.31Å; S344-T346 PolarHBondContact O-N 3.35Å; S344-T346 PolarHBondContact OG-OG1 2.76Å
347	P	98.9	Very high	98.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	162.5	169.9	38.1	-39.7	0	0	0	112.6	R338 V339 W340 Y358 D360	R338-P347 HydrophobicContact CG-CB 4.35Å; V339-P347 CarbonylContact O-C 3.57Å; V339-P347 VanDerWaalsContact O-CA 3.23Å; V339-P347 WeakPolarHBondContact O-CA 3.42Å; W340-P347 HydrophobicContact CE3-CB 4.34Å; P347-Y358 HydrophobicContact CB-CD1 4.31Å; P347-Y358 HydrophobicContact CB-CE1 3.6Å; P347-Y358 HydrophobicContact CB-CE2 4.44Å; P347-Y358 VanDerWaalsContact CD-O 3.27Å; P347-Y358 WeakPolarHBondContact CD-O 3.36Å; P347-Y358 HydrophobicContact CG-CD1 3.97Å; P347-Y358 HydrophobicContact CG-CD2 4.11Å; P347-Y358 HydrophobicContact CG-CE1 3.61Å; P347-Y358 HydrophobicContact CG-CE2 3.79Å; P347-Y358 HydrophobicContact CG-CG 4.19Å; P347-Y358 WeakPolarHBondContact CG-O 3.29Å; P347-Y358 PolarHBondContact O-N 3.15Å; P347-D360 HydrophobicContact CG-CB 4.21Å
348	Y	98.9	Very high	98.8	Very high	23 Å²	23	32.6 Å²	32.6	9%	0.09	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	158.9	156.2	66.9	-92.8	0	0	0	109.8	S301 V303 V339 V350 W355 F356	S301-Y348 WeakPolarHBondContact O-CE2 3.46Å; S301-Y348 PolarHBondContact O-OH 3.21Å; V303-Y348 HydrophobicContact CG2-CD1 3.99Å; V303-Y348 HydrophobicContact CG2-CE1 3.89Å; V339-Y348 HydrophobicContact CB-CD1 4.06Å; V339-Y348 HydrophobicContact CB-CD2 4.12Å; V339-Y348 HydrophobicContact CB-CE1 3.58Å; V339-Y348 HydrophobicContact CB-CE2 3.65Å; V339-Y348 HydrophobicContact CB-CG 4.32Å; V339-Y348 HydrophobicContact CG1-CD1 4.35Å; V339-Y348 HydrophobicContact CG1-CE1 3.5Å; V339-Y348 HydrophobicContact CG1-CE2 4.25Å; V339-Y348 VanDerWaalsContact CG1-CZ 3.46Å; V339-Y348 WeakPolarHBondContact CG1-OH 3.44Å; V339-Y348 HydrophobicContact CG2-CD2 4.41Å; V339-Y348 HydrophobicContact CG2-CE1 4.47Å; V339-Y348 HydrophobicContact CG2-CE2 3.72Å; V339-Y348 PolarHBondContact N-O 3.27Å; V339-Y348 PolarHBondContact O-N 3.5Å; Y348-V350 HydrophobicContact CD2-CG2 3.81Å; Y348-V350 HydrophobicContact CE2-CG2 3.75Å; Y348-W355 VanDerWaalsContact CB-CZ2 3.46Å; Y348-W355 AromaticContact CD1-CZ2 3.97Å; Y348-W355 HydrophobicContact CD1-CZ2 3.97Å; Y348-W355 HydrophobicContact CD2-CD2 4.44Å; Y348-W355 AromaticContact CD2-CE2 3.48Å; Y348-W355 VanDerWaalsContact CD2-CE2 3.48Å; Y348-W355 AromaticContact CD2-CZ2 3.64Å; Y348-W355 HydrophobicContact CD2-CZ2 3.64Å; Y348-W355 AromaticContact CD2-NE1 3.2Å; Y348-W355 HydrophobicContact CE2-CZ2 4.29Å; Y348-W355 AromaticContact CE2-NE1 3.39Å; Y348-W355 AromaticContact CG-CE2 3.79Å; Y348-W355 HydrophobicContact CG-CH2 4.23Å; Y348-W355 AromaticContact CG-CZ2 3.43Å; Y348-W355 HydrophobicContact CG-CZ2 3.43Å; Y348-W355 VanDerWaalsContact CG-CZ2 3.43Å; Y348-W355 AromaticContact CG-NE1 3.97Å; Y348-F356 CarbonylContact C-O 3.47Å; Y348-F356 WeakPolarHBondContact CA-O 3.44Å; Y348-F356 VanDerWaalsContact CB-O 3.28Å; Y348-F356 WeakPolarHBondContact CB-O 3.37Å
349	V	98.9	Very high	98.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.1	-178.3	64	0	0	0	0	111	V328 L332 A336 K337 W355 F356 Y358	V328-V349 HydrophobicContact CG1-CG1 4.05Å; V328-V349 HydrophobicContact CG2-CG1 4.5Å; L332-V349 HydrophobicContact CD2-CG2 3.82Å; A336-V349 HydrophobicContact CB-CG2 3.57Å; K337-V349 WeakPolarHBondContact O-CA 3.34Å; V349-W355 WeakPolarHBondContact O-CA 3.31Å; V349-F356 HydrophobicContact CG1-CB 3.83Å; V349-F356 HydrophobicContact CG1-CD2 4.24Å; V349-F356 HydrophobicContact CG1-CG 4.46Å; V349-F356 PolarHBondContact N-O 3.43Å; V349-F356 PolarHBondContact O-N 2.84Å; V349-Y358 HydrophobicContact CB-CD1 4.33Å; V349-Y358 HydrophobicContact CB-CE1 3.82Å; V349-Y358 HydrophobicContact CG1-CD1 4.01Å; V349-Y358 HydrophobicContact CG1-CE1 3.97Å
350	V	98.9	Very high	98.8	Very high	16 Å²	16	27.5 Å²	27.5	10%	0.097	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.1	-176.6	-169.2	0	0	0	0	110.3	L295 K337 Y348 Q354 W355	L295-V350 HydrophobicContact CD1-CG1 4.37Å; K337-V350 PolarHBondContact N-O 3.38Å; K337-V350 PolarHBondContact O-N 3.11Å; Y348-V350 HydrophobicContact CD2-CG2 3.81Å; Y348-V350 HydrophobicContact CE2-CG2 3.75Å; V350-Q354 CarbonylContact C-O 3.51Å; V350-Q354 WeakPolarHBondContact CA-O 3.26Å; V350-W355 HydrophobicContact CG2-CG 4.48Å
351	Q	98.6	Very high	98.8	Very high	62 Å²	62	26.8 Å²	26.8	29%	0.29	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	105.6	173.4	-168.5	-178.9	36.8	0	0	109.7	A336 N353 Q354	A336-Q351 HydrophobicContact CB-CB 3.86Å; A336-Q351 HydrophobicContact CB-CG 4.21Å; Q351-N353 PolarHBondContact O-N 2.77Å; Q351-Q354 PolarHBondContact N-O 2.73Å; Q351-Q354 WeakPolarHBondContact O-CB 3.24Å; Q351-Q354 PolarHBondContact O-N 2.98Å
352	G	98.3	Very high	98.8	Very high	58 Å²	58	30.3 Å²	30.3	60%	0.598	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	-122.3	-170.7	0	0	0	0	0	110.7
353	N	98.7	Very high	98.8	Very high	65 Å²	65	24.7 Å²	24.7	35%	0.348	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	6.7	174	68.2	-6.4	0	0	0	113.5	T294 L295 A298 Q351	T294-N353 CarbonylContact C-O 3.54Å; T294-N353 WeakPolarHBondContact CA-O 3.45Å; T294-N353 HydrophobicContact CG2-CB 4.26Å; T294-N353 VanDerWaalsContact CG2-ND2 3.33Å; T294-N353 WeakPolarHBondContact CG2-ND2 3.47Å; L295-N353 HydrophobicContact CB-CB 4.39Å; L295-N353 PolarHBondContact N-O 2.98Å; A298-N353 HydrophobicContact CB-CB 4.2Å; Q351-N353 PolarHBondContact O-N 2.77Å
354	Q	98.9	Very high	98.8	Very high	20 Å²	20	21.4 Å²	21.4	9%	0.093	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.7	178.7	-56.9	-61.5	-65	0	0	109.6	T294 V350 Q351 F356	T294-Q354 PolarHBondContact OG1-NE2 3.45Å; T294-Q354 VanDerWaalsContact OG1-NE2 3.09Å; V350-Q354 CarbonylContact C-O 3.51Å; V350-Q354 WeakPolarHBondContact CA-O 3.26Å; Q351-Q354 PolarHBondContact N-O 2.73Å; Q351-Q354 WeakPolarHBondContact O-CB 3.24Å; Q351-Q354 PolarHBondContact O-N 2.98Å; Q354-F356 HydrophobicContact CB-CE2 3.81Å
355	W	98.9	Very high	98.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.4	-177.3	-170.3	106.7	0	0	0	109.2	T244 G245 I246 G292 W293 L295 S301 V303 Y348 V349 V350	T244-W355 HydrophobicContact CG2-CB 4.12Å; T244-W355 HydrophobicContact CG2-CD2 3.58Å; T244-W355 HydrophobicContact CG2-CE3 3.75Å; T244-W355 HydrophobicContact CG2-CG 3.74Å; T244-W355 HydrophobicContact CG2-CZ3 4.38Å; G245-W355 VanDerWaalsContact O-CH2 3.3Å; G245-W355 WeakPolarHBondContact O-CH2 3.17Å; G245-W355 VanDerWaalsContact O-CZ3 3.23Å; G245-W355 WeakPolarHBondContact O-CZ3 3.5Å; I246-W355 HydrophobicContact CD1-CH2 4.26Å; G292-W355 CarbonylContact C-O 3.53Å; G292-W355 VanDerWaalsContact CA-O 3.25Å; G292-W355 WeakPolarHBondContact CA-O 3.43Å; W293-W355 AromaticContact CE3-CE3 3.53Å; W293-W355 HydrophobicContact CE3-CE3 3.53Å; W293-W355 AromaticContact CE3-CZ3 3.71Å; W293-W355 HydrophobicContact CE3-CZ3 3.71Å; W293-W355 HydrophobicContact CH2-CZ3 4.34Å; W293-W355 AromaticContact CZ3-CE3 3.8Å; W293-W355 HydrophobicContact CZ3-CE3 3.8Å; W293-W355 AromaticContact CZ3-CZ3 3.45Å; W293-W355 HydrophobicContact CZ3-CZ3 3.45Å; W293-W355 VanDerWaalsContact CZ3-CZ3 3.45Å; W293-W355 PolarHBondContact N-O 2.92Å; W293-W355 PolarHBondContact O-N 3.22Å; L295-W355 HydrophobicContact CD1-CB 4.18Å; L295-W355 HydrophobicContact CD2-CB 3.88Å; L295-W355 HydrophobicContact CD2-CG 4.14Å; L295-W355 HydrophobicContact CG-CB 3.86Å; S301-W355 PolarHBondContact O-NE1 2.83Å; V303-W355 HydrophobicContact CG2-CZ2 4.05Å; Y348-W355 VanDerWaalsContact CB-CZ2 3.46Å; Y348-W355 AromaticContact CD1-CZ2 3.97Å; Y348-W355 HydrophobicContact CD1-CZ2 3.97Å; Y348-W355 HydrophobicContact CD2-CD2 4.44Å; Y348-W355 AromaticContact CD2-CE2 3.48Å; Y348-W355 VanDerWaalsContact CD2-CE2 3.48Å; Y348-W355 AromaticContact CD2-CZ2 3.64Å; Y348-W355 HydrophobicContact CD2-CZ2 3.64Å; Y348-W355 AromaticContact CD2-NE1 3.2Å; Y348-W355 HydrophobicContact CE2-CZ2 4.29Å; Y348-W355 AromaticContact CE2-NE1 3.39Å; Y348-W355 AromaticContact CG-CE2 3.79Å; Y348-W355 HydrophobicContact CG-CH2 4.23Å; Y348-W355 AromaticContact CG-CZ2 3.43Å; Y348-W355 HydrophobicContact CG-CZ2 3.43Å; Y348-W355 VanDerWaalsContact CG-CZ2 3.43Å; Y348-W355 AromaticContact CG-NE1 3.97Å; V349-W355 WeakPolarHBondContact O-CA 3.31Å; V350-W355 HydrophobicContact CG2-CG 4.48Å
356	F	99	Very high	98.8	Very high	2 Å²	2	22 Å²	22	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129.6	178.2	-57.3	-98.9	0	0	0	111.1	R291 S311 I323 K331 Y348 V349 Q354	R291-F356 CarbonylContact O-C 3.6Å; R291-F356 VanDerWaalsContact O-CA 3.24Å; R291-F356 WeakPolarHBondContact O-CA 3.31Å; S311-F356 VanDerWaalsContact CB-CE1 3.44Å; S311-F356 VanDerWaalsContact CB-CZ 3.42Å; S311-F356 WeakPolarHBondContact OG-CE1 3.42Å; I323-F356 HydrophobicContact CB-CD1 3.75Å; I323-F356 HydrophobicContact CB-CE1 3.8Å; I323-F356 HydrophobicContact CD1-CD1 4.27Å; I323-F356 HydrophobicContact CD1-CE1 4.13Å; I323-F356 HydrophobicContact CD1-CE2 4.39Å; I323-F356 HydrophobicContact CD1-CG 4.45Å; I323-F356 HydrophobicContact CD1-CZ 4.2Å; I323-F356 HydrophobicContact CG2-CB 4.08Å; I323-F356 HydrophobicContact CG2-CD1 3.38Å; I323-F356 HydrophobicContact CG2-CE1 3.99Å; I323-F356 HydrophobicContact CG2-CG 3.92Å; K331-F356 HydrophobicContact CD-CD2 4.48Å; K331-F356 HydrophobicContact CD-CE2 4.07Å; Y348-F356 CarbonylContact C-O 3.47Å; Y348-F356 WeakPolarHBondContact CA-O 3.44Å; Y348-F356 VanDerWaalsContact CB-O 3.28Å; Y348-F356 WeakPolarHBondContact CB-O 3.37Å; V349-F356 HydrophobicContact CG1-CB 3.83Å; V349-F356 HydrophobicContact CG1-CD2 4.24Å; V349-F356 HydrophobicContact CG1-CG 4.46Å; V349-F356 PolarHBondContact N-O 3.43Å; V349-F356 PolarHBondContact O-N 2.84Å; Q354-F356 HydrophobicContact CB-CE2 3.81Å
357	S	99	Very high	98.8	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	133.6	161	171.2	0	0	0	0	108	G245 I246 N247 G290 R291	G245-S357 VanDerWaalsContact O-CB 3.27Å; G245-S357 WeakPolarHBondContact O-CB 3.35Å; I246-S357 WeakPolarHBondContact CA-OG 3.48Å; N247-S357 PolarHBondContact N-OG 3.03Å; G290-S357 CarbonylContact C-O 3.54Å; G290-S357 WeakPolarHBondContact CA-O 3.2Å; R291-S357 PolarHBondContact N-O 3.46Å; R291-S357 PolarHBondContact O-N 2.82Å
358	Y	98.9	Very high	98.8	Very high	2 Å²	2	22 Å²	22	1%	0.008	13%	0.131	C	C	.	.			trans	-148.3	174.9	-178.4	72.9	-72.3	0	0	0	109.9	Y325 V328 R338 P347 V349 D360	Y325-Y358 HydrophobicContact CD2-CD2 4.23Å; Y325-Y358 HydrophobicContact CD2-CE2 4.41Å; Y325-Y358 HydrophobicContact CE2-CD2 4.47Å; Y325-Y358 HydrophobicContact CE2-CE2 4.21Å; V328-Y358 HydrophobicContact CB-CD2 4.22Å; V328-Y358 HydrophobicContact CB-CE2 4.36Å; V328-Y358 HydrophobicContact CG1-CD1 4.26Å; V328-Y358 HydrophobicContact CG1-CD2 3.77Å; V328-Y358 HydrophobicContact CG1-CE1 4.04Å; V328-Y358 HydrophobicContact CG1-CE2 3.5Å; V328-Y358 VanDerWaalsContact CG1-CE2 3.5Å; V328-Y358 HydrophobicContact CG1-CG 4.15Å; V328-Y358 HydrophobicContact CG2-CD2 4.06Å; V328-Y358 HydrophobicContact CG2-CG 4.02Å; R338-Y358 WeakPolarHBondContact CD-OH 3.34Å; R338-Y358 WeakPolarHBondContact CG-OH 3.37Å; R338-Y358 PolarHBondContact NE-OH 2.79Å; P347-Y358 HydrophobicContact CB-CD1 4.31Å; P347-Y358 HydrophobicContact CB-CE1 3.6Å; P347-Y358 HydrophobicContact CB-CE2 4.44Å; P347-Y358 VanDerWaalsContact CD-O 3.27Å; P347-Y358 WeakPolarHBondContact CD-O 3.36Å; P347-Y358 HydrophobicContact CG-CD1 3.97Å; P347-Y358 HydrophobicContact CG-CD2 4.11Å; P347-Y358 HydrophobicContact CG-CE1 3.61Å; P347-Y358 HydrophobicContact CG-CE2 3.79Å; P347-Y358 HydrophobicContact CG-CG 4.19Å; P347-Y358 WeakPolarHBondContact CG-O 3.29Å; P347-Y358 PolarHBondContact O-N 3.15Å; V349-Y358 HydrophobicContact CB-CD1 4.33Å; V349-Y358 HydrophobicContact CB-CE1 3.82Å; V349-Y358 HydrophobicContact CG1-CD1 4.01Å; V349-Y358 HydrophobicContact CG1-CE1 3.97Å; Y358-D360 HydrophobicContact CD2-CB 4.34Å; Y358-D360 HydrophobicContact CE2-CB 3.72Å
359	D	99	Very high	98.8	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	15%	0.145	C	C	.	.			trans	-113.8	144.4	173.2	-94.6	-82.2	0	0	0	110	P287 Y325 S363 L364 K367	P287-D359 HydrophobicContact CG-CB 4.4Å; P287-D359 WeakPolarHBondContact CG-OD2 3.16Å; P287-D359 WeakPolarHBondContact O-CB 3.41Å; Y325-D359 WeakPolarHBondContact CD2-O 3.11Å; D359-S363 VanDerWaalsContact CA-OG 3.3Å; D359-S363 WeakPolarHBondContact CA-OG 3.17Å; D359-S363 VanDerWaalsContact OD1-CB 3.27Å; D359-S363 WeakPolarHBondContact OD1-CB 3.22Å; D359-S363 PolarHBondContact OD1-OG 3.15Å; D359-L364 HydrophobicContact CB-CD1 3.74Å; D359-K367 WeakPolarHBondContact OD1-CE 3.34Å; D359-K367 IonicContact OD1-NZ 2.8Å; D359-K367 PolarHBondContact OD1-NZ 3.45Å; D359-K367 IonicContact OD2-NZ 3.35Å; D359-K367 PolarHBondContact OD2-NZ 3.5Å
360	D	98.9	Very high	98.8	Very high	11 Å²	11	25 Å²	25	6%	0.059	15%	0.147	C	C	.	.			trans	-138.5	-173.8	179.1	73.8	10	0	0	0	112.3	Y325 R338 P347 Y358 E362 S363 L364	Y325-D360 HydrophobicContact CE2-CB 3.75Å; R338-D360 IonicContact CZ-OD2 2.84Å; R338-D360 IonicContact NE-OD2 2.66Å; R338-D360 PolarHBondContact NE-OD2 2.97Å; R338-D360 IonicContact NH2-OD1 2.68Å; R338-D360 PolarHBondContact NH2-OD1 3.26Å; R338-D360 IonicContact NH2-OD2 3.61Å; R338-D360 PolarHBondContact NH2-OD2 3.18Å; P347-D360 HydrophobicContact CG-CB 4.21Å; Y358-D360 HydrophobicContact CD2-CB 4.34Å; Y358-D360 HydrophobicContact CE2-CB 3.72Å; D360-E362 PolarHBondContact O-N 2.61Å; D360-E362 WeakPolarHBondContact OD1-CA 3.32Å; D360-E362 WeakPolarHBondContact OD1-CB 3.32Å; D360-E362 PolarHBondContact OD1-N 2.97Å; D360-S363 PolarHBondContact N-OG 3.02Å; D360-S363 PolarHBondContact O-N 3.02Å; D360-S363 PolarHBondContact O-OG 3.07Å; D360-S363 PolarHBondContact OD1-N 3.14Å; D360-S363 VanDerWaalsContact OD1-N 3.16Å; D360-L364 WeakPolarHBondContact O-CD1 3.38Å; D360-L364 PolarHBondContact O-N 3.15Å
361	V	98.8	Very high	98.8	Very high	41 Å²	41	24.2 Å²	24.2	25%	0.248	14%	0.143	C	C	.	.	H	α-helix	trans	-56.2	-36.8	-178.4	173.3	0	0	0	0	112.1	T365 H397 P403 L404 L407	V361-T365 WeakPolarHBondContact O-CB 3.3Å; V361-T365 PolarHBondContact O-N 3.48Å; V361-T365 PolarHBondContact O-OG1 2.99Å; V361-H397 WeakPolarHBondContact CG2-CE1 3.47Å; V361-P403 HydrophobicContact CG2-CB 4.44Å; V361-L404 HydrophobicContact CB-CD2 4.48Å; V361-L404 HydrophobicContact CG2-CD2 3.68Å; V361-L407 HydrophobicContact CG1-CD1 4.23Å; V361-L407 HydrophobicContact CG1-CD2 4.44Å
362	E	98.8	Very high	98.7	Very high	93 Å²	93	24.4 Å²	24.4	44%	0.435	14%	0.143	S	C	.	.	H	α-helix	trans	-69.9	-46.6	-179.7	-167.8	177.5	-174.9	0	0	110.9	R338 W340 D360 T365 A366	R338-E362 IonicContact CZ-OE2 3.47Å; R338-E362 IonicContact NH1-OE2 2.71Å; R338-E362 PolarHBondContact NH1-OE2 3.11Å; R338-E362 IonicContact NH2-OE2 3.13Å; R338-E362 PolarHBondContact NH2-OE2 3.24Å; W340-E362 HydrophobicContact CE3-CB 4.45Å; W340-E362 HydrophobicContact CE3-CG 4.21Å; W340-E362 HydrophobicContact CH2-CB 4.13Å; W340-E362 HydrophobicContact CH2-CG 3.64Å; W340-E362 HydrophobicContact CZ2-CG 4.1Å; W340-E362 HydrophobicContact CZ3-CB 3.81Å; W340-E362 HydrophobicContact CZ3-CG 3.69Å; D360-E362 PolarHBondContact O-N 2.61Å; D360-E362 WeakPolarHBondContact OD1-CA 3.32Å; D360-E362 WeakPolarHBondContact OD1-CB 3.32Å; D360-E362 PolarHBondContact OD1-N 2.97Å; E362-T365 PolarHBondContact O-N 3.47Å; E362-A366 PolarHBondContact O-N 3.46Å
363	S	98.9	Very high	98.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-70.5	-41.8	179.8	67.9	0	0	0	0	113.2	K345 D359 D360 T365 A366 K367	K345-S363 WeakPolarHBondContact O-CB 3.21Å; D359-S363 VanDerWaalsContact CA-OG 3.3Å; D359-S363 WeakPolarHBondContact CA-OG 3.17Å; D359-S363 VanDerWaalsContact OD1-CB 3.27Å; D359-S363 WeakPolarHBondContact OD1-CB 3.22Å; D359-S363 PolarHBondContact OD1-OG 3.15Å; D360-S363 PolarHBondContact N-OG 3.02Å; D360-S363 PolarHBondContact O-N 3.02Å; D360-S363 PolarHBondContact O-OG 3.07Å; D360-S363 PolarHBondContact OD1-N 3.14Å; D360-S363 VanDerWaalsContact OD1-N 3.16Å; S363-T365 VanDerWaalsContact C-N 3.32Å; S363-T365 PolarHBondContact O-N 3.23Å; S363-A366 PolarHBondContact O-N 3.28Å; S363-K367 WeakPolarHBondContact O-CG 3.44Å; S363-K367 PolarHBondContact O-N 2.92Å
364	L	98.9	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.6	-37.8	174.6	-84.5	96	0	0	0	111.3	L286 D359 D360 A366 K367 I368 L404 L407	L286-L364 HydrophobicContact CB-CD2 4.18Å; L286-L364 HydrophobicContact CD1-CD2 4Å; D359-L364 HydrophobicContact CB-CD1 3.74Å; D360-L364 WeakPolarHBondContact O-CD1 3.38Å; D360-L364 PolarHBondContact O-N 3.15Å; L364-A366 VanDerWaalsContact C-N 3.33Å; L364-A366 PolarHBondContact O-N 2.86Å; L364-K367 PolarHBondContact O-N 3.16Å; L364-I368 HydrophobicContact CB-CD1 4.43Å; L364-I368 WeakPolarHBondContact O-CB 3.32Å; L364-I368 WeakPolarHBondContact O-CD1 3.32Å; L364-I368 WeakPolarHBondContact O-CG1 3.11Å; L364-I368 PolarHBondContact O-N 2.86Å; L364-L404 HydrophobicContact CD1-CB 4.27Å; L364-L404 HydrophobicContact CD1-CD1 3.96Å; L364-L404 HydrophobicContact CD1-CD2 4.18Å; L364-L404 HydrophobicContact CD1-CG 4.36Å; L364-L404 HydrophobicContact CD2-CB 4.06Å; L364-L407 HydrophobicContact CB-CD1 3.63Å
365	T	98.8	Very high	98.6	Very high	43 Å²	43	32.6 Å²	32.6	26%	0.264	16%	0.162	S	C	.	.	H	α-helix	trans	-60.9	-44.4	174.3	-63.7	0	0	0	0	110.9	V361 E362 S363 N369 M411	V361-T365 WeakPolarHBondContact O-CB 3.3Å; V361-T365 PolarHBondContact O-N 3.48Å; V361-T365 PolarHBondContact O-OG1 2.99Å; E362-T365 PolarHBondContact O-N 3.47Å; S363-T365 VanDerWaalsContact C-N 3.32Å; S363-T365 PolarHBondContact O-N 3.23Å; T365-N369 WeakPolarHBondContact O-CB 3.46Å; T365-N369 PolarHBondContact O-N 3.32Å; T365-N369 PolarHBondContact O-ND2 2.87Å; T365-M411 HydrophobicContact CG2-CE 3.86Å; T365-M411 HydrophobicContact CG2-SD 4.25Å
366	A	98.8	Very high	98.5	Very high	25 Å²	25	32.8 Å²	32.8	21%	0.207	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-49.3	176.4	0	0	0	0	0	111.6	L250 K345 E362 S363 L364 I368 N369 W370	L250-A366 HydrophobicContact CD2-CB 4.45Å; K345-A366 HydrophobicContact CB-CB 4.27Å; E362-A366 PolarHBondContact O-N 3.46Å; S363-A366 PolarHBondContact O-N 3.28Å; L364-A366 VanDerWaalsContact C-N 3.33Å; L364-A366 PolarHBondContact O-N 2.86Å; A366-I368 PolarHBondContact O-N 3.02Å; A366-N369 PolarHBondContact O-N 3.02Å; A366-W370 WeakPolarHBondContact O-CB 3.24Å; A366-W370 PolarHBondContact O-N 3.15Å
367	K	98.9	Very high	98.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.7	-45	178.4	-70.8	173.5	177.9	-179.6	0	112.1	S248 L250 L286 D359 S363 L364 W370 I371	S248-K367 WeakPolarHBondContact O-CE 3.21Å; S248-K367 PolarHBondContact O-NZ 3.01Å; S248-K367 PolarHBondContact OG-NZ 2.84Å; L250-K367 HydrophobicContact CB-CG 4.3Å; L250-K367 HydrophobicContact CD1-CG 4.19Å; L250-K367 HydrophobicContact CD2-CG 4.48Å; L286-K367 HydrophobicContact CD2-CB 3.91Å; L286-K367 HydrophobicContact CD2-CD 3.83Å; L286-K367 HydrophobicContact CD2-CG 4.47Å; D359-K367 WeakPolarHBondContact OD1-CE 3.34Å; D359-K367 IonicContact OD1-NZ 2.8Å; D359-K367 PolarHBondContact OD1-NZ 3.45Å; D359-K367 IonicContact OD2-NZ 3.35Å; D359-K367 PolarHBondContact OD2-NZ 3.5Å; S363-K367 WeakPolarHBondContact O-CG 3.44Å; S363-K367 PolarHBondContact O-N 2.92Å; L364-K367 PolarHBondContact O-N 3.16Å; K367-W370 WeakPolarHBondContact O-CB 3.46Å; K367-W370 PolarHBondContact O-N 3.05Å; K367-I371 VanDerWaalsContact O-CG1 3.3Å; K367-I371 WeakPolarHBondContact O-CG1 3.25Å; K367-I371 PolarHBondContact O-N 2.82Å
368	I	98.8	Very high	98.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-69.3	-36	-179	-65.8	165.6	0	0	0	111.8	L286 L364 A366 W370 I371 K372 L407 M408 M411 L412	L286-I368 HydrophobicContact CD1-CD1 4.1Å; L286-I368 HydrophobicContact CD1-CG1 3.86Å; L364-I368 HydrophobicContact CB-CD1 4.43Å; L364-I368 WeakPolarHBondContact O-CB 3.32Å; L364-I368 WeakPolarHBondContact O-CD1 3.32Å; L364-I368 WeakPolarHBondContact O-CG1 3.11Å; L364-I368 PolarHBondContact O-N 2.86Å; A366-I368 PolarHBondContact O-N 3.02Å; I368-W370 VanDerWaalsContact C-N 3.35Å; I368-I371 PolarHBondContact O-N 3.05Å; I368-K372 PolarHBondContact O-N 2.88Å; I368-L407 HydrophobicContact CD1-CB 3.61Å; I368-M408 HydrophobicContact CD1-CG 4.24Å; I368-M411 HydrophobicContact CB-CE 3.98Å; I368-M411 HydrophobicContact CB-SD 4.07Å; I368-M411 HydrophobicContact CD1-SD 4.28Å; I368-M411 HydrophobicContact CG2-CB 3.6Å; I368-M411 HydrophobicContact CG2-CE 3.89Å; I368-M411 HydrophobicContact CG2-CG 4.4Å; I368-M411 HydrophobicContact CG2-SD 3.97Å; I368-L412 HydrophobicContact CG2-CD1 4.03Å; I368-L412 HydrophobicContact CG2-CD2 3.64Å; I368-L412 HydrophobicContact CG2-CG 3.58Å
369	N	98.3	Very high	98.5	Very high	72 Å²	72	32.7 Å²	32.7	39%	0.385	16%	0.163	S	C	.	.	H	α-helix	trans	-64.9	-40.9	171.1	-78.6	-33.6	0	0	0	111.9	T365 A366 K372 Q373 M411	T365-N369 WeakPolarHBondContact O-CB 3.46Å; T365-N369 PolarHBondContact O-N 3.32Å; T365-N369 PolarHBondContact O-ND2 2.87Å; A366-N369 PolarHBondContact O-N 3.02Å; N369-K372 PolarHBondContact O-N 3.03Å; N369-K372 WeakPolarHBondContact OD1-CE 3.4Å; N369-K372 PolarHBondContact OD1-NZ 2.82Å; N369-K372 VanDerWaalsContact OD1-NZ 3.16Å; N369-Q373 WeakPolarHBondContact O-CB 3.23Å; N369-Q373 PolarHBondContact O-N 2.57Å; N369-M411 HydrophobicContact CB-CE 4.47Å; N369-M411 VanDerWaalsContact CG-CE 3.45Å; N369-M411 WeakPolarHBondContact OD1-CE 3.46Å
370	W	98.7	Very high	98.5	Very high	13 Å²	13	32.7 Å²	32.7	5%	0.049	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-39.6	174.6	173.8	94.2	0	0	0	112.1	L250 V265 E266 S269 I284 A366 K367 I368 K372 Q373 E374 Y376	L250-W370 HydrophobicContact CD1-CB 4.2Å; L250-W370 HydrophobicContact CD1-CD2 3.71Å; L250-W370 HydrophobicContact CD1-CE3 3.93Å; L250-W370 HydrophobicContact CD1-CG 3.81Å; L250-W370 HydrophobicContact CD2-CB 4.15Å; L250-W370 HydrophobicContact CD2-CG 4.37Å; V265-W370 HydrophobicContact CG1-CE3 4.35Å; V265-W370 HydrophobicContact CG1-CH2 4.13Å; V265-W370 HydrophobicContact CG1-CZ3 3.75Å; E266-W370 HydrophobicContact CB-CZ2 3.95Å; E266-W370 HydrophobicContact CG-CZ2 4.09Å; E266-W370 PolarHBondContact OE1-NE1 3.48Å; S269-W370 VanDerWaalsContact OG-CH2 3.24Å; S269-W370 WeakPolarHBondContact OG-CH2 3.42Å; I284-W370 HydrophobicContact CD1-CH2 4.48Å; I284-W370 HydrophobicContact CD1-CZ3 4.21Å; I284-W370 HydrophobicContact CG1-CZ3 4.12Å; A366-W370 WeakPolarHBondContact O-CB 3.24Å; A366-W370 PolarHBondContact O-N 3.15Å; K367-W370 WeakPolarHBondContact O-CB 3.46Å; K367-W370 PolarHBondContact O-N 3.05Å; I368-W370 VanDerWaalsContact C-N 3.35Å; W370-K372 VanDerWaalsContact C-N 3.3Å; W370-K372 PolarHBondContact O-N 3.35Å; W370-Q373 PolarHBondContact O-N 3.02Å; W370-E374 HydrophobicContact CD2-CG 4.14Å; W370-E374 HydrophobicContact CG-CG 4.35Å; W370-E374 HydrophobicContact CZ2-CB 4.39Å; W370-E374 HydrophobicContact CZ2-CG 3.89Å; W370-E374 WeakPolarHBondContact O-CB 3.23Å; W370-E374 PolarHBondContact O-N 2.83Å; W370-Y376 AromaticContact CH2-CD2 3.57Å; W370-Y376 HydrophobicContact CH2-CD2 3.57Å; W370-Y376 AromaticContact CH2-CE2 3.17Å; W370-Y376 HydrophobicContact CH2-CE2 3.17Å; W370-Y376 HydrophobicContact CZ2-CD2 4.25Å; W370-Y376 AromaticContact CZ2-CE2 3.62Å; W370-Y376 HydrophobicContact CZ2-CE2 3.62Å; W370-Y376 AromaticContact CZ3-CD2 3.79Å; W370-Y376 HydrophobicContact CZ3-CD2 3.79Å; W370-Y376 AromaticContact CZ3-CE2 3.91Å; W370-Y376 HydrophobicContact CZ3-CE2 3.91Å
371	I	98.7	Very high	98.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-54.6	-46	173.5	-72.3	168.7	0	0	0	111.2	Y47 I284 K367 I368 K375 Y376 A379 L412	Y47-I371 HydrophobicContact CD1-CG2 4.29Å; Y47-I371 HydrophobicContact CE1-CG2 4.3Å; I284-I371 HydrophobicContact CB-CD1 3.69Å; I284-I371 HydrophobicContact CB-CG1 4Å; I284-I371 HydrophobicContact CG1-CD1 4.11Å; I284-I371 HydrophobicContact CG1-CG1 3.86Å; I284-I371 HydrophobicContact CG2-CD1 4.04Å; I284-I371 HydrophobicContact CG2-CG1 4.32Å; K367-I371 VanDerWaalsContact O-CG1 3.3Å; K367-I371 WeakPolarHBondContact O-CG1 3.25Å; K367-I371 PolarHBondContact O-N 2.82Å; I368-I371 PolarHBondContact O-N 3.05Å; I371-K375 PolarHBondContact O-N 3.12Å; I371-Y376 PolarHBondContact O-N 2.98Å; I371-Y376 VanDerWaalsContact O-N 3.09Å; I371-A379 HydrophobicContact CD1-CB 3.81Å; I371-L412 HydrophobicContact CG2-CD2 4.4Å
372	K	97.1	Very high	98.5	Very high	66 Å²	66	32 Å²	32	29%	0.287	16%	0.155	S	C	.	.	H	α-helix	trans	-66.8	-46.4	177.1	-70.8	-177.2	-69.3	-172.1	0	112	Y47 I368 N369 W370 E374 K375 M411 L412	Y47-K372 HydrophobicContact CE1-CG 4.4Å; Y47-K372 HydrophobicContact CE2-CG 4.2Å; I368-K372 PolarHBondContact O-N 2.88Å; N369-K372 PolarHBondContact O-N 3.03Å; N369-K372 WeakPolarHBondContact OD1-CE 3.4Å; N369-K372 PolarHBondContact OD1-NZ 2.82Å; N369-K372 VanDerWaalsContact OD1-NZ 3.16Å; W370-K372 VanDerWaalsContact C-N 3.3Å; W370-K372 PolarHBondContact O-N 3.35Å; K372-E374 VanDerWaalsContact C-N 3.3Å; K372-E374 PolarHBondContact O-N 2.9Å; K372-K375 PolarHBondContact O-N 3.07Å; K372-M411 WeakPolarHBondContact CD-O 3.36Å; K372-M411 PolarHBondContact NZ-O 2.92Å; K372-L412 HydrophobicContact CD-CD2 3.96Å; K372-L412 HydrophobicContact CG-CD2 3.52Å
373	Q	97.4	Very high	98.5	Very high	142 Å²	142	27.6 Å²	27.6	66%	0.664	13%	0.134	S	C	*	.	H	α-helix	trans	-57	-46.8	179.3	-178.3	-173.4	-49.2	0	0	111.1	N369 W370 K375	N369-Q373 WeakPolarHBondContact O-CB 3.23Å; N369-Q373 PolarHBondContact O-N 2.57Å; W370-Q373 PolarHBondContact O-N 3.02Å; Q373-K375 VanDerWaalsContact C-N 3.29Å; Q373-K375 PolarHBondContact O-N 3.2Å
374	E	98	Very high	98.5	Very high	57 Å²	57	27.7 Å²	27.7	27%	0.266	14%	0.135	S	C	.	.	H	α-helix	trans	-83.5	-5.5	-177.8	-68	-52.2	123.6	0	0	113.8	K279 W370 K372 Y376	K279-E374 WeakPolarHBondContact CD-O 3.41Å; K279-E374 PolarHBondContact NZ-O 3.41Å; K279-E374 IonicContact NZ-OE2 2.92Å; K279-E374 PolarHBondContact NZ-OE2 2.84Å; W370-E374 HydrophobicContact CD2-CG 4.14Å; W370-E374 HydrophobicContact CG-CG 4.35Å; W370-E374 HydrophobicContact CZ2-CB 4.39Å; W370-E374 HydrophobicContact CZ2-CG 3.89Å; W370-E374 WeakPolarHBondContact O-CB 3.23Å; W370-E374 PolarHBondContact O-N 2.83Å; K372-E374 VanDerWaalsContact C-N 3.3Å; K372-E374 PolarHBondContact O-N 2.9Å; E374-Y376 VanDerWaalsContact C-N 3.32Å; E374-Y376 HydrophobicContact CB-CD2 3.59Å; E374-Y376 HydrophobicContact CB-CE2 3.59Å; E374-Y376 HydrophobicContact CG-CE2 4.33Å; E374-Y376 PolarHBondContact O-N 3.04Å
375	K	97.1	Very high	98.5	Very high	117 Å²	117	27.7 Å²	27.7	51%	0.509	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	36.8	178	-52.9	-177.3	-179.5	-174.8	0	113.7	K280 I371 K372 Q373	K280-K375 WeakPolarHBondContact CD-O 3.26Å; K280-K375 VanDerWaalsContact CE-O 3.29Å; K280-K375 WeakPolarHBondContact CE-O 3.45Å; K280-K375 PolarHBondContact NZ-O 3.36Å; I371-K375 PolarHBondContact O-N 3.12Å; K372-K375 PolarHBondContact O-N 3.07Å; Q373-K375 VanDerWaalsContact C-N 3.29Å; Q373-K375 PolarHBondContact O-N 3.2Å
376	Y	98.5	Very high	98.5	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.012	13%	0.125	C	C	.	.			trans	-65.8	170.3	170	-76.8	-68.9	0	0	0	111.8	Y47 S269 K270 K279 I282 I284 W370 I371 E374 G378	Y47-Y376 WeakPolarHBondContact CD1-O 3.48Å; Y47-Y376 VanDerWaalsContact CE1-O 3.25Å; Y47-Y376 WeakPolarHBondContact CE1-O 3.18Å; S269-Y376 VanDerWaalsContact C-OH 3.24Å; S269-Y376 WeakPolarHBondContact CB-OH 3.35Å; S269-Y376 PolarHBondContact O-OH 3.11Å; S269-Y376 PolarHBondContact OG-OH 3.26Å; S269-Y376 VanDerWaalsContact OG-OH 3.04Å; K270-Y376 WeakPolarHBondContact CA-OH 3.49Å; K270-Y376 PolarHBondContact N-OH 2.69Å; K270-Y376 VanDerWaalsContact N-OH 3.16Å; K279-Y376 HydrophobicContact CB-CD1 3.94Å; K279-Y376 HydrophobicContact CB-CE1 4.2Å; K279-Y376 HydrophobicContact CD-CD1 4.23Å; K279-Y376 HydrophobicContact CD-CE1 3.98Å; K279-Y376 HydrophobicContact CG-CD1 4.07Å; K279-Y376 HydrophobicContact CG-CE1 3.81Å; K279-Y376 CarbonylContact O-C 3.48Å; K279-Y376 WeakPolarHBondContact O-CA 3.37Å; I282-Y376 HydrophobicContact CB-CD1 3.89Å; I282-Y376 HydrophobicContact CB-CE1 4.24Å; I282-Y376 HydrophobicContact CD1-CD1 4.36Å; I282-Y376 HydrophobicContact CD1-CE1 3.92Å; I282-Y376 HydrophobicContact CG2-CD1 4.09Å; I282-Y376 HydrophobicContact CG2-CE1 4.24Å; I284-Y376 HydrophobicContact CD1-CD1 4.42Å; I284-Y376 HydrophobicContact CD1-CD2 4.42Å; I284-Y376 HydrophobicContact CD1-CG 4.22Å; I284-Y376 HydrophobicContact CG1-CG 4.3Å; W370-Y376 AromaticContact CH2-CD2 3.57Å; W370-Y376 HydrophobicContact CH2-CD2 3.57Å; W370-Y376 AromaticContact CH2-CE2 3.17Å; W370-Y376 HydrophobicContact CH2-CE2 3.17Å; W370-Y376 HydrophobicContact CZ2-CD2 4.25Å; W370-Y376 AromaticContact CZ2-CE2 3.62Å; W370-Y376 HydrophobicContact CZ2-CE2 3.62Å; W370-Y376 AromaticContact CZ3-CD2 3.79Å; W370-Y376 HydrophobicContact CZ3-CD2 3.79Å; W370-Y376 AromaticContact CZ3-CE2 3.91Å; W370-Y376 HydrophobicContact CZ3-CE2 3.91Å; I371-Y376 PolarHBondContact O-N 2.98Å; I371-Y376 VanDerWaalsContact O-N 3.09Å; E374-Y376 VanDerWaalsContact C-N 3.32Å; E374-Y376 HydrophobicContact CB-CD2 3.59Å; E374-Y376 HydrophobicContact CB-CE2 3.59Å; E374-Y376 HydrophobicContact CG-CE2 4.33Å; E374-Y376 PolarHBondContact O-N 3.04Å; Y376-G378 VanDerWaalsContact C-N 3.29Å; Y376-G378 PolarHBondContact O-N 2.82Å
377	G	98.2	Very high	98.5	Very high	3 Å²	3	25.2 Å²	25.2	3%	0.031	12%	0.115	C	C	.	.	S	Bend	trans	-71.1	-22.8	-172	0	0	0	0	0	114.2	Y47 V48 K279 K280 I282	Y47-G377 CarbonylContact C-O 3.59Å; Y47-G377 WeakPolarHBondContact CA-O 3.35Å; V48-G377 PolarHBondContact N-O 3.13Å; K279-G377 PolarHBondContact O-N 2.78Å; K280-G377 VanDerWaalsContact O-CA 3.28Å; K280-G377 WeakPolarHBondContact O-CA 3.46Å; I282-G377 PolarHBondContact O-N 2.87Å
378	G	98.5	Very high	98.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.2	-156.8	-177.5	0	0	0	0	0	111.8	V48 I284 Y376	V48-G378 CarbonylContact O-C 3.46Å; V48-G378 VanDerWaalsContact O-CA 3.23Å; V48-G378 WeakPolarHBondContact O-CA 3.41Å; I284-G378 PolarHBondContact N-O 3.41Å; Y376-G378 VanDerWaalsContact C-N 3.29Å; Y376-G378 PolarHBondContact O-N 2.82Å
379	A	98.9	Very high	98.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	151.4	179.2	0	0	0	0	0	111.1	V48 R49 G50 I284 L286 I371 M408 L412	V48-A379 PolarHBondContact O-N 3.29Å; R49-A379 CarbonylContact C-O 3.57Å; R49-A379 WeakPolarHBondContact CA-O 3.37Å; G50-A379 PolarHBondContact N-O 3.17Å; I284-A379 CarbonylContact O-C 3.57Å; I284-A379 VanDerWaalsContact O-CA 3.28Å; I284-A379 WeakPolarHBondContact O-CA 3.2Å; L286-A379 HydrophobicContact CD1-CB 3.73Å; L286-A379 HydrophobicContact CG-CB 4.25Å; I371-A379 HydrophobicContact CD1-CB 3.81Å; A379-M408 HydrophobicContact CB-CG 4.03Å; A379-M408 HydrophobicContact CB-SD 3.55Å; A379-M408 VanDerWaalsContact CB-SD 3.55Å; A379-L412 HydrophobicContact CB-CD1 3.9Å
380	F	98.9	Very high	98.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156.7	162.3	78.5	-88.7	0	0	0	110.2	G50 Y52 N230 L231 M232 Y234 I283 I284 G285 L286	G50-F380 CarbonylContact O-C 3.58Å; G50-F380 WeakPolarHBondContact O-CA 3.45Å; Y52-F380 AromaticContact CD2-CD2 3.69Å; Y52-F380 HydrophobicContact CD2-CD2 3.69Å; Y52-F380 HydrophobicContact CD2-CE2 4.03Å; Y52-F380 AromaticContact CE2-CD2 3.41Å; Y52-F380 HydrophobicContact CE2-CD2 3.41Å; Y52-F380 VanDerWaalsContact CE2-CD2 3.41Å; Y52-F380 AromaticContact CE2-CE2 3.58Å; Y52-F380 HydrophobicContact CE2-CE2 3.58Å; Y52-F380 HydrophobicContact CE2-CG 4.29Å; N230-F380 VanDerWaalsContact C-CE1 3.42Å; N230-F380 VanDerWaalsContact CA-CE1 3.49Å; N230-F380 HydrophobicContact CB-CD1 3.7Å; N230-F380 HydrophobicContact CB-CE1 3.5Å; N230-F380 HydrophobicContact CB-CE2 4.39Å; N230-F380 HydrophobicContact CB-CG 4.24Å; N230-F380 HydrophobicContact CB-CZ 3.87Å; L231-F380 VanDerWaalsContact O-CE1 3.25Å; L231-F380 WeakPolarHBondContact O-CE1 3.3Å; M232-F380 HydrophobicContact CG-CZ 4.34Å; Y234-F380 AromaticContact CE1-CE2 3.93Å; Y234-F380 HydrophobicContact CE1-CE2 3.93Å; Y234-F380 AromaticContact CE1-CZ 3.85Å; Y234-F380 HydrophobicContact CE1-CZ 3.85Å; Y234-F380 VanDerWaalsContact OH-CE2 3.31Å; Y234-F380 WeakPolarHBondContact OH-CE2 3.36Å; I283-F380 HydrophobicContact CB-CD1 4.33Å; I283-F380 HydrophobicContact CG2-CB 4.11Å; I283-F380 HydrophobicContact CG2-CD1 4.03Å; I284-F380 PolarHBondContact O-N 3.48Å; G285-F380 VanDerWaalsContact N-CE1 3.3Å; L286-F380 PolarHBondContact N-O 2.52Å
381	V	99	Very high	98.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.9	177.6	-64	0	0	0	0	112.2	G50 C51 Y52 L286 T288 I405 M408	G50-V381 PolarHBondContact O-N 3.07Å; C51-V381 HydrophobicContact CB-CG2 3.83Å; C51-V381 VanDerWaalsContact SG-CG2 3.51Å; Y52-V381 PolarHBondContact N-O 3.04Å; L286-V381 HydrophobicContact CB-CG1 4.07Å; L286-V381 VanDerWaalsContact O-CA 3.29Å; L286-V381 WeakPolarHBondContact O-CA 3.08Å; T288-V381 HydrophobicContact CG2-CB 4.39Å; V381-I405 HydrophobicContact CB-CG1 4.34Å; V381-I405 HydrophobicContact CG1-CG1 4.16Å; V381-I405 HydrophobicContact CG1-CG2 4.41Å; V381-I405 HydrophobicContact CG2-CD1 3.89Å; V381-I405 HydrophobicContact CG2-CG1 3.99Å; V381-I405 HydrophobicContact CG2-CG2 3.96Å; V381-M408 HydrophobicContact CB-CE 4.41Å; V381-M408 HydrophobicContact CG1-CE 3.62Å; V381-M408 HydrophobicContact CG1-SD 3.9Å; V381-M408 HydrophobicContact CG2-CE 4.01Å
382	W	98.9	Very high	98.5	Very high	39 Å²	39	26.8 Å²	26.8	15%	0.148	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	102	162.1	-177.5	-86.6	0	0	0	107.9	Y52 T54 W56 A82 F83 Y234 L286 P287 T288 Y289 Y386	Y52-W382 AromaticContact CD1-CE3 3.76Å; Y52-W382 HydrophobicContact CD1-CE3 3.76Å; Y52-W382 AromaticContact CD1-CZ3 3.53Å; Y52-W382 HydrophobicContact CD1-CZ3 3.53Å; Y52-W382 AromaticContact CD2-CE3 3.91Å; Y52-W382 HydrophobicContact CD2-CE3 3.91Å; Y52-W382 HydrophobicContact CE1-CE3 4.44Å; Y52-W382 HydrophobicContact CE1-CZ3 4.2Å; Y52-W382 AromaticContact CG-CE3 3.45Å; Y52-W382 HydrophobicContact CG-CE3 3.45Å; Y52-W382 VanDerWaalsContact CG-CE3 3.45Å; Y52-W382 AromaticContact CG-CZ3 3.72Å; Y52-W382 HydrophobicContact CG-CZ3 3.72Å; T54-W382 HydrophobicContact CG2-CH2 4.08Å; T54-W382 HydrophobicContact CG2-CZ2 4.21Å; W56-W382 AromaticContact CH2-CH2 3.79Å; W56-W382 HydrophobicContact CH2-CH2 3.79Å; W56-W382 AromaticContact CH2-CZ2 3.95Å; W56-W382 HydrophobicContact CH2-CZ2 3.95Å; W56-W382 HydrophobicContact CZ2-CH2 4.26Å; W56-W382 AromaticContact CZ2-CZ2 3.95Å; W56-W382 HydrophobicContact CZ2-CZ2 3.95Å; A82-W382 HydrophobicContact CB-CH2 4.2Å; A82-W382 HydrophobicContact CB-CZ3 4.14Å; F83-W382 AromaticContact CE2-CH2 3.83Å; F83-W382 HydrophobicContact CE2-CH2 3.83Å; F83-W382 HydrophobicContact CE2-CZ3 4.5Å; F83-W382 AromaticContact CZ-CH2 3.68Å; F83-W382 HydrophobicContact CZ-CH2 3.68Å; F83-W382 AromaticContact CZ-CZ3 3.94Å; F83-W382 HydrophobicContact CZ-CZ3 3.94Å; Y234-W382 HydrophobicContact CE1-CB 4.21Å; L286-W382 PolarHBondContact O-N 2.96Å; L286-W382 VanDerWaalsContact O-N 3.14Å; P287-W382 WeakPolarHBondContact CA-O 3.35Å; T288-W382 PolarHBondContact N-O 2.79Å; T288-W382 PolarHBondContact OG1-O 3.06Å; Y289-W382 AromaticContact CD1-CD1 3.78Å; Y289-W382 AromaticContact CE1-CD1 3.44Å; Y289-W382 VanDerWaalsContact CE1-CD1 3.44Å; Y289-W382 HydrophobicContact CE1-CG 4.37Å; W382-Y386 AromaticContact CD1-CE2 3.97Å; W382-Y386 AromaticContact NE1-CE2 3.81Å
383	T	98.9	Very high	98.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.			cis	-135.7	175.2	3.8	61.7	0	0	0	0	110.7	T54 T288 D385 Y386	T54-T383 HydrophobicContact CG2-CG2 3.56Å; T288-T383 PolarHBondContact OG1-N 2.81Å; T288-T383 PolarHBondContact OG1-O 2.96Å; T383-D385 WeakPolarHBondContact CB-OD1 3.02Å; T383-D385 PolarHBondContact O-N 2.82Å; T383-D385 PolarHBondContact OG1-N 3.11Å; T383-D385 PolarHBondContact OG1-OD1 3.34Å; T383-D385 VanDerWaalsContact OG1-OD1 3.12Å; T383-D385 PolarHBondContact OG1-OD2 3.37Å; T383-Y386 HydrophobicContact CG2-CD2 4.2Å; T383-Y386 HydrophobicContact CG2-CE2 4.08Å; T383-Y386 VanDerWaalsContact OG1-CD2 3.27Å; T383-Y386 WeakPolarHBondContact OG1-CD2 3.47Å; T383-Y386 PolarHBondContact OG1-N 3.21Å
384	L	98.9	Very high	98.6	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-37.7	168	-74.9	165.4	0	0	0	112.6	C51 Y52 F53 Y66 Y71 L75 Y402 I405	C51-L384 HydrophobicContact CB-CD1 4.21Å; C51-L384 HydrophobicContact CB-CD2 3.84Å; C51-L384 HydrophobicContact CB-CG 3.86Å; Y52-L384 PolarHBondContact O-N 3.07Å; F53-L384 HydrophobicContact CB-CD1 4.03Å; Y66-L384 HydrophobicContact CE1-CB 4.36Å; Y66-L384 HydrophobicContact CE2-CB 4.17Å; Y71-L384 HydrophobicContact CD2-CD1 4.41Å; Y71-L384 HydrophobicContact CD2-CD2 4.27Å; L75-L384 HydrophobicContact CD2-CD2 3.83Å; L384-Y402 HydrophobicContact CD2-CE1 4.29Å; L384-I405 HydrophobicContact CD2-CD1 4.08Å
385	D	98.9	Very high	98.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-2.2	-164.3	56.8	-105.3	0	0	0	114.5	T54 A57 R60 Y66 Y326 T383	T54-D385 VanDerWaalsContact OG1-CG 3.25Å; T54-D385 PolarHBondContact OG1-OD1 2.03Å; T54-D385 PolarHBondContact OG1-OD2 2.99Å; A57-D385 HydrophobicContact CB-CB 3.7Å; R60-D385 IonicContact CZ-OD2 2.69Å; R60-D385 VanDerWaalsContact NH1-CB 3.27Å; R60-D385 VanDerWaalsContact NH1-CG 3.31Å; R60-D385 PolarHBondContact NH1-O 2.93Å; R60-D385 IonicContact NH1-OD2 2.73Å; R60-D385 PolarHBondContact NH1-OD2 2.88Å; R60-D385 IonicContact NH2-OD2 3.19Å; R60-D385 PolarHBondContact NH2-OD2 3.12Å; Y66-D385 HydrophobicContact CD1-CB 4.12Å; Y66-D385 HydrophobicContact CD2-CB 3.72Å; Y66-D385 HydrophobicContact CE2-CB 4.43Å; Y66-D385 HydrophobicContact CG-CB 3.54Å; Y326-D385 WeakPolarHBondContact CE1-O 3.39Å; T383-D385 WeakPolarHBondContact CB-OD1 3.02Å; T383-D385 PolarHBondContact O-N 2.82Å; T383-D385 PolarHBondContact OG1-N 3.11Å; T383-D385 PolarHBondContact OG1-OD1 3.34Å; T383-D385 VanDerWaalsContact OG1-OD1 3.12Å; T383-D385 PolarHBondContact OG1-OD2 3.37Å
386	Y	98.9	Very high	98.4	Very high	17 Å²	17	17.5 Å²	17.5	7%	0.067	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-16.2	170.2	-59.1	-41	0	0	0	114.5	T288 Y289 L317 Y325 Y326 W382 T383	T288-Y386 WeakPolarHBondContact O-CB 3.49Å; T288-Y386 WeakPolarHBondContact OG1-CB 3.15Å; Y289-Y386 AromaticContact CD1-CD2 3.88Å; Y289-Y386 HydrophobicContact CD1-CD2 3.88Å; Y289-Y386 AromaticContact CD1-CE2 3.9Å; Y289-Y386 HydrophobicContact CD1-CE2 3.9Å; Y289-Y386 HydrophobicContact CG-CD2 4.08Å; Y289-Y386 HydrophobicContact CG-CE2 4.03Å; L317-Y386 HydrophobicContact CD1-CD1 4.02Å; L317-Y386 HydrophobicContact CD1-CE1 3.61Å; L317-Y386 HydrophobicContact CD2-CD1 3.73Å; L317-Y386 HydrophobicContact CD2-CE1 3.42Å; L317-Y386 VanDerWaalsContact CD2-CE1 3.42Å; L317-Y386 HydrophobicContact CG-CD1 4.49Å; L317-Y386 HydrophobicContact CG-CE1 4.16Å; Y325-Y386 WeakPolarHBondContact CB-O 3.23Å; Y325-Y386 PolarHBondContact N-O 3.37Å; Y325-Y386 VanDerWaalsContact N-O 3.07Å; Y326-Y386 VanDerWaalsContact CD1-O 3.26Å; Y326-Y386 WeakPolarHBondContact CD1-O 3.41Å; Y326-Y386 PolarHBondContact N-O 3.38Å; W382-Y386 AromaticContact CD1-CE2 3.97Å; W382-Y386 AromaticContact NE1-CE2 3.81Å; T383-Y386 HydrophobicContact CG2-CD2 4.2Å; T383-Y386 HydrophobicContact CG2-CE2 4.08Å; T383-Y386 VanDerWaalsContact OG1-CD2 3.27Å; T383-Y386 WeakPolarHBondContact OG1-CD2 3.47Å; T383-Y386 PolarHBondContact OG1-N 3.21Å
387	D	98.9	Very high	98.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-71.7	167.1	172.2	-161.2	1	0	0	0	110.6	T288 Y326 F389 Y402 P403 L404 I405	T288-D387 HydrophobicContact CG2-CB 4.31Å; Y326-D387 WeakPolarHBondContact CD1-O 3.38Å; D387-F389 VanDerWaalsContact O-CD1 3.24Å; D387-F389 WeakPolarHBondContact O-CD1 3.14Å; D387-F389 PolarHBondContact O-N 3.13Å; D387-Y402 HydrophobicContact CB-CD1 4.28Å; D387-Y402 WeakPolarHBondContact OD2-CA 3.45Å; D387-P403 WeakPolarHBondContact OD1-CD 3.37Å; D387-P403 WeakPolarHBondContact OD1-CG 3.44Å; D387-L404 WeakPolarHBondContact OD1-CG 3.47Å; D387-L404 PolarHBondContact OD1-N 3.34Å; D387-L404 WeakPolarHBondContact OD2-CB 3.19Å; D387-L404 PolarHBondContact OD2-N 3.35Å; D387-I405 HydrophobicContact CB-CD1 3.8Å; D387-I405 HydrophobicContact CB-CG1 4Å; D387-I405 WeakPolarHBondContact OD2-CG1 3.4Å; D387-I405 PolarHBondContact OD2-N 2.83Å
388	D	98.9	Very high	98.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.147	C	C	.	.			trans	-76.1	68.9	170.8	-172.4	7.2	0	0	0	110.4	L390 G391 S392 F393 C394 Y402 P403	D388-L390 PolarHBondContact O-N 3.34Å; D388-G391 PolarHBondContact O-N 3.28Å; D388-G391 WeakPolarHBondContact OD1-CA 3.39Å; D388-G391 PolarHBondContact OD1-N 3.24Å; D388-G391 WeakPolarHBondContact OD2-CA 3.46Å; D388-S392 PolarHBondContact OD1-N 2.81Å; D388-S392 PolarHBondContact OD2-N 2.96Å; D388-S392 VanDerWaalsContact OD2-N 3.15Å; D388-F393 WeakPolarHBondContact OD1-CD2 3.01Å; D388-F393 PolarHBondContact OD1-N 3.4Å; D388-F393 PolarHBondContact OD2-N 3.15Å; D388-C394 HydrophobicContact CB-CB 4.32Å; D388-C394 WeakPolarHBondContact OD2-CB 3.22Å; D388-C394 PolarHBondContact OD2-N 2.9Å; D388-Y402 PolarHBondContact O-N 3.29Å; D388-P403 HydrophobicContact CB-CG 4.02Å
389	F	98.8	Very high	98.2	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.009	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.6	-176.4	60.4	-93.9	0	0	0	113.3	K63 K65 Y66 H70 Y326 D387 Y402	K63-F389 WeakPolarHBondContact O-CZ 3.38Å; K65-F389 WeakPolarHBondContact O-CZ 3.32Å; Y66-F389 HydrophobicContact CD2-CB 4.18Å; Y66-F389 AromaticContact CD2-CD1 3.67Å; Y66-F389 HydrophobicContact CD2-CD1 3.67Å; Y66-F389 AromaticContact CD2-CD2 3.63Å; Y66-F389 HydrophobicContact CD2-CD2 3.63Å; Y66-F389 AromaticContact CD2-CE1 3.89Å; Y66-F389 HydrophobicContact CD2-CE1 3.89Å; Y66-F389 AromaticContact CD2-CE2 3.83Å; Y66-F389 HydrophobicContact CD2-CE2 3.83Å; Y66-F389 AromaticContact CD2-CG 3.57Å; Y66-F389 HydrophobicContact CD2-CG 3.57Å; Y66-F389 AromaticContact CD2-CZ 3.97Å; Y66-F389 HydrophobicContact CD2-CZ 3.97Å; Y66-F389 HydrophobicContact CE2-CB 3.85Å; Y66-F389 HydrophobicContact CE2-CD1 4.19Å; Y66-F389 AromaticContact CE2-CD2 3.99Å; Y66-F389 HydrophobicContact CE2-CD2 3.99Å; Y66-F389 AromaticContact CE2-CG 3.77Å; Y66-F389 HydrophobicContact CE2-CG 3.77Å; H70-F389 HydrophobicContact CB-CD2 4.01Å; H70-F389 AromaticContact CE1-CE2 3.88Å; H70-F389 AromaticContact CG-CD2 3.95Å; H70-F389 AromaticContact ND1-CD2 3.78Å; H70-F389 AromaticContact ND1-CE2 3.46Å; H70-F389 WeakPolarHBondContact ND1-CE2 3.42Å; Y326-F389 HydrophobicContact CE1-CE1 4.42Å; D387-F389 VanDerWaalsContact O-CD1 3.24Å; D387-F389 WeakPolarHBondContact O-CD1 3.14Å; D387-F389 PolarHBondContact O-N 3.13Å; F389-Y402 HydrophobicContact CB-CD1 3.9Å; F389-Y402 HydrophobicContact CB-CE1 3.28Å; F389-Y402 HydrophobicContact CB-CE2 4.16Å; F389-Y402 VanDerWaalsContact CB-CZ 3.42Å
390	L	98.7	Very high	98.2	Very high	52 Å²	52	32.1 Å²	32.1	27%	0.272	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-17.3	174.2	-62.8	-179	0	0	0	113.2	K63 D388 S392	K63-L390 HydrophobicContact CB-CD1 4Å; K63-L390 HydrophobicContact CG-CD1 4.32Å; K63-L390 WeakPolarHBondContact O-CD1 3.46Å; D388-L390 PolarHBondContact O-N 3.34Å; L390-S392 VanDerWaalsContact C-N 3.27Å
391	G	98.5	Very high	98.2	Very high	13 Å²	13	37.1 Å²	37.1	13%	0.134	21%	0.205	C	C	.	.	S	Bend	trans	63.2	34.4	-169.8	0	0	0	0	0	111.9	D388 G399 K400	D388-G391 PolarHBondContact O-N 3.28Å; D388-G391 WeakPolarHBondContact OD1-CA 3.39Å; D388-G391 PolarHBondContact OD1-N 3.24Å; D388-G391 WeakPolarHBondContact OD2-CA 3.46Å; G391-G399 VanDerWaalsContact O-CA 3.22Å; G391-G399 WeakPolarHBondContact O-CA 3.36Å; G391-K400 WeakPolarHBondContact CA-O 3.04Å
392	S	98.4	Very high	98.2	Very high	50 Å²	50	37.1 Å²	37.1	35%	0.35	21%	0.205	S	C	.	.			trans	-121.9	-4.3	-170.9	82.6	0	0	0	0	114.6	D388 L390	D388-S392 PolarHBondContact OD1-N 2.81Å; D388-S392 PolarHBondContact OD2-N 2.96Å; D388-S392 VanDerWaalsContact OD2-N 3.15Å; L390-S392 VanDerWaalsContact C-N 3.27Å
393	F	98.6	Very high	98.2	Very high	16 Å²	16	35.3 Å²	35.3	7%	0.07	20%	0.198	C	C	.	.	S	Bend	trans	-109.7	-35.5	-177.3	-67.4	-83.9	0	0	0	112.5	K63 Y316 Y326 Q330 D388	K63-F393 HydrophobicContact CB-CE1 4.3Å; K63-F393 HydrophobicContact CB-CE2 3.81Å; K63-F393 HydrophobicContact CB-CZ 3.37Å; K63-F393 HydrophobicContact CD-CZ 4.34Å; Y316-F393 HydrophobicContact CE1-CE1 4.35Å; Y316-F393 HydrophobicContact CE1-CZ 4.09Å; Y316-F393 AromaticContact CE2-CE1 3.94Å; Y316-F393 HydrophobicContact CE2-CE1 3.94Å; Y316-F393 HydrophobicContact CE2-CZ 4.4Å; Y316-F393 AromaticContact CZ-CE1 3.69Å; Y316-F393 AromaticContact CZ-CZ 3.9Å; Y326-F393 HydrophobicContact CD2-CD1 4.19Å; Y326-F393 HydrophobicContact CD2-CD2 4.11Å; Y326-F393 HydrophobicContact CD2-CE1 4.05Å; Y326-F393 AromaticContact CD2-CE2 3.98Å; Y326-F393 HydrophobicContact CD2-CE2 3.98Å; Y326-F393 HydrophobicContact CD2-CG 4.2Å; Y326-F393 AromaticContact CD2-CZ 3.91Å; Y326-F393 HydrophobicContact CD2-CZ 3.91Å; Y326-F393 HydrophobicContact CE2-CZ 4.3Å; Y326-F393 HydrophobicContact CG-CD2 4.06Å; Y326-F393 HydrophobicContact CG-CE2 4.21Å; Y326-F393 HydrophobicContact CG-CG 4.33Å; Q330-F393 HydrophobicContact CG-CD1 3.74Å; Q330-F393 HydrophobicContact CG-CE1 4.41Å; D388-F393 WeakPolarHBondContact OD1-CD2 3.01Å; D388-F393 PolarHBondContact OD1-N 3.4Å; D388-F393 PolarHBondContact OD2-N 3.15Å
394	C	98.4	Very high	98.2	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.014	20%	0.198	C	C	.	.			trans	-100.4	86.3	-173.8	-58.1	0	0	0	0	111.3	Y325 C329 D388 Q396 H397	Y325-C394 WeakPolarHBondContact CE1-SG 3.3Å; C329-C394 HydrophobicContact CB-CB 3.82Å; C329-C394 WeakPolarHBondContact CB-SG 3.44Å; C329-C394 WeakPolarHBondContact SG-CB 3.15Å; C329-C394 CovalentContact SG-SG 2.03Å; C329-C394 PolarHBondContact SG-SG 3.46Å; D388-C394 HydrophobicContact CB-CB 4.32Å; D388-C394 WeakPolarHBondContact OD2-CB 3.22Å; D388-C394 PolarHBondContact OD2-N 2.9Å; C394-Q396 PolarHBondContact O-N 2.96Å; C394-H397 VanDerWaalsContact CB-CD2 3.5Å; C394-H397 WeakPolarHBondContact CB-CD2 3.36Å; C394-H397 PolarHBondContact O-N 2.76Å; C394-H397 VanDerWaalsContact O-N 3.15Å
395	S	95.5	Very high	98.2	Very high	86 Å²	86	35.3 Å²	35.3	60%	0.601	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-58.4	-29.4	-179.3	60	0	0	0	0	113.3	H397 N398	S395-H397 PolarHBondContact O-N 3.25Å; S395-H397 VanDerWaalsContact O-N 3.07Å; S395-N398 PolarHBondContact O-N 3.45Å; S395-N398 VanDerWaalsContact O-N 3.14Å
396	Q	95.2	Very high	98.1	Very high	83 Å²	83	35.6 Å²	35.6	39%	0.388	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-62.5	-16.1	179.7	71.2	-84.7	12.6	0	0	114.1	Y325 C329 C394	Y325-Q396 PolarHBondContact OH-NE2 3.31Å; C329-Q396 PolarHBondContact SG-NE2 3.1Å; C394-Q396 PolarHBondContact O-N 2.96Å
397	H	97.5	Very high	98.1	Very high	40 Å²	40	35.3 Å²	35.3	19%	0.185	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-105.9	13.2	-179.5	-52.4	-51.6	0	0	0	113.5	Y325 V361 C394 S395 G399 K400 P403	Y325-H397 AromaticContact CE1-NE2 3.99Å; Y325-H397 AromaticContact CZ-NE2 3.8Å; Y325-H397 PolarHBondContact OH-NE2 2.88Å; V361-H397 WeakPolarHBondContact CG2-CE1 3.47Å; C394-H397 VanDerWaalsContact CB-CD2 3.5Å; C394-H397 WeakPolarHBondContact CB-CD2 3.36Å; C394-H397 PolarHBondContact O-N 2.76Å; C394-H397 VanDerWaalsContact O-N 3.15Å; S395-H397 PolarHBondContact O-N 3.25Å; S395-H397 VanDerWaalsContact O-N 3.07Å; H397-G399 PolarHBondContact O-N 3.14Å; H397-G399 VanDerWaalsContact O-N 3.15Å; H397-K400 HydrophobicContact CB-CB 4.11Å; H397-K400 VanDerWaalsContact O-CB 3.3Å; H397-K400 WeakPolarHBondContact O-CB 3.41Å; H397-K400 PolarHBondContact O-N 3.17Å; H397-P403 HydrophobicContact CB-CB 4.17Å; H397-P403 WeakPolarHBondContact CD2-CB 3Å
398	N	96.7	Very high	98.1	Very high	158 Å²	158	35.3 Å²	35.3	85%	0.845	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	37.9	176.2	-54.5	-60.5	0	0	0	113.9	S395 K400	S395-N398 PolarHBondContact O-N 3.45Å; S395-N398 VanDerWaalsContact O-N 3.14Å; N398-K400 VanDerWaalsContact C-N 3.34Å; N398-K400 PolarHBondContact O-N 3.02Å
399	G	97	Very high	97.9	Very high	42 Å²	42	36 Å²	36	43%	0.433	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	13.1	178.8	0	0	0	0	0	115.7	G391 H397 K401	G391-G399 VanDerWaalsContact O-CA 3.22Å; G391-G399 WeakPolarHBondContact O-CA 3.36Å; H397-G399 PolarHBondContact O-N 3.14Å; H397-G399 VanDerWaalsContact O-N 3.15Å; G399-K401 PolarHBondContact O-N 3.26Å
400	K	98.5	Very high	97.8	Very high	72 Å²	72	40.7 Å²	40.7	31%	0.313	23%	0.225	S	C	.	.			trans	-58.7	121.8	170.7	-177.4	179.9	-179	-176.8	0	109.6	G391 H397 N398 E410	G391-K400 WeakPolarHBondContact CA-O 3.04Å; H397-K400 HydrophobicContact CB-CB 4.11Å; H397-K400 VanDerWaalsContact O-CB 3.3Å; H397-K400 WeakPolarHBondContact O-CB 3.41Å; H397-K400 PolarHBondContact O-N 3.17Å; N398-K400 VanDerWaalsContact C-N 3.34Å; N398-K400 PolarHBondContact O-N 3.02Å; K400-E410 WeakPolarHBondContact CE-OE1 3.34Å; K400-E410 VanDerWaalsContact NZ-CD 3.34Å; K400-E410 IonicContact NZ-OE1 3.17Å; K400-E410 PolarHBondContact NZ-OE1 3.08Å; K400-E410 IonicContact NZ-OE2 2.78Å; K400-E410 PolarHBondContact NZ-OE2 2.76Å
401	K	98.7	Very high	97.7	Very high	106 Å²	106	39.9 Å²	39.9	46%	0.461	22%	0.22	S	C	.	.	S	Bend	trans	-70.3	142.8	168.7	-62.9	-175.1	179.3	-177.3	0	109.9	G399 S406	G399-K401 PolarHBondContact O-N 3.26Å; K401-S406 PolarHBondContact O-OG 3.44Å
402	Y	98.8	Very high	97.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	52.7	53	179	-59.3	-76.2	0	0	0	113.6	Y66 H70 Q72 L75 L384 D387 D388 F389 L404 I405 S406	Y66-Y402 HydrophobicContact CE2-CE1 4.3Å; Y66-Y402 VanDerWaalsContact CE2-OH 3.31Å; Y66-Y402 WeakPolarHBondContact CE2-OH 3.47Å; Y66-Y402 PolarHBondContact OH-OH 2.8Å; H70-Y402 WeakPolarHBondContact O-CE2 3.43Å; H70-Y402 PolarHBondContact O-OH 2.78Å; Q72-Y402 HydrophobicContact CB-CD2 4.11Å; Q72-Y402 HydrophobicContact CB-CE2 3.95Å; L75-Y402 HydrophobicContact CD1-CD2 4.37Å; L75-Y402 HydrophobicContact CD1-CG 4.18Å; L75-Y402 HydrophobicContact CD2-CD1 3.71Å; L75-Y402 HydrophobicContact CD2-CD2 3.93Å; L75-Y402 HydrophobicContact CD2-CE1 3.96Å; L75-Y402 HydrophobicContact CD2-CE2 4.2Å; L75-Y402 HydrophobicContact CD2-CG 3.66Å; L384-Y402 HydrophobicContact CD2-CE1 4.29Å; D387-Y402 HydrophobicContact CB-CD1 4.28Å; D387-Y402 WeakPolarHBondContact OD2-CA 3.45Å; D388-Y402 PolarHBondContact O-N 3.29Å; F389-Y402 HydrophobicContact CB-CD1 3.9Å; F389-Y402 HydrophobicContact CB-CE1 3.28Å; F389-Y402 HydrophobicContact CB-CE2 4.16Å; F389-Y402 VanDerWaalsContact CB-CZ 3.42Å; Y402-L404 PolarHBondContact O-N 3.23Å; Y402-I405 HydrophobicContact CD1-CB 4.5Å; Y402-I405 HydrophobicContact CD1-CD1 3.95Å; Y402-I405 HydrophobicContact CE1-CD1 4.44Å; Y402-I405 PolarHBondContact O-N 3.03Å; Y402-S406 WeakPolarHBondContact O-CB 3.42Å; Y402-S406 PolarHBondContact O-N 3.26Å; Y402-S406 PolarHBondContact O-OG 2.04Å
403	P	98.8	Very high	97	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.2	-176.4	26.6	-36.7	0	0	0	113.2	Y325 V361 D387 D388 H397	Y325-P403 HydrophobicContact CD1-CG 4.36Å; Y325-P403 HydrophobicContact CE1-CG 3.78Å; V361-P403 HydrophobicContact CG2-CB 4.44Å; D387-P403 WeakPolarHBondContact OD1-CD 3.37Å; D387-P403 WeakPolarHBondContact OD1-CG 3.44Å; D388-P403 HydrophobicContact CB-CG 4.02Å; H397-P403 HydrophobicContact CB-CB 4.17Å; H397-P403 WeakPolarHBondContact CD2-CB 3Å
404	L	98.9	Very high	95.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-54.1	176.7	-56	-166.7	0	0	0	111.4	T288 Y325 V361 L364 D387 Y402 S406 L407	T288-L404 HydrophobicContact CG2-CB 4.25Å; T288-L404 HydrophobicContact CG2-CD1 4.13Å; Y325-L404 HydrophobicContact CD1-CD1 3.72Å; Y325-L404 HydrophobicContact CD1-CD2 4.15Å; Y325-L404 HydrophobicContact CD1-CG 3.69Å; Y325-L404 HydrophobicContact CD2-CD1 3.72Å; Y325-L404 HydrophobicContact CD2-CD2 4.39Å; Y325-L404 HydrophobicContact CD2-CG 4.33Å; Y325-L404 HydrophobicContact CE1-CD1 4.23Å; Y325-L404 HydrophobicContact CE1-CD2 3.79Å; Y325-L404 HydrophobicContact CE1-CG 3.82Å; Y325-L404 HydrophobicContact CE2-CD1 4.22Å; Y325-L404 HydrophobicContact CE2-CD2 4.05Å; Y325-L404 HydrophobicContact CE2-CG 4.45Å; Y325-L404 HydrophobicContact CG-CD1 3.45Å; Y325-L404 VanDerWaalsContact CG-CD1 3.45Å; Y325-L404 HydrophobicContact CG-CD2 4.44Å; Y325-L404 HydrophobicContact CG-CG 3.97Å; V361-L404 HydrophobicContact CB-CD2 4.48Å; V361-L404 HydrophobicContact CG2-CD2 3.68Å; L364-L404 HydrophobicContact CD1-CB 4.27Å; L364-L404 HydrophobicContact CD1-CD1 3.96Å; L364-L404 HydrophobicContact CD1-CD2 4.18Å; L364-L404 HydrophobicContact CD1-CG 4.36Å; L364-L404 HydrophobicContact CD2-CB 4.06Å; D387-L404 WeakPolarHBondContact OD1-CG 3.47Å; D387-L404 PolarHBondContact OD1-N 3.34Å; D387-L404 WeakPolarHBondContact OD2-CB 3.19Å; D387-L404 PolarHBondContact OD2-N 3.35Å; Y402-L404 PolarHBondContact O-N 3.23Å; L404-S406 VanDerWaalsContact C-N 3.29Å; L404-S406 PolarHBondContact O-N 2.99Å; L404-L407 VanDerWaalsContact O-CB 3.27Å; L404-L407 WeakPolarHBondContact O-CB 3.34Å; L404-L407 WeakPolarHBondContact O-CG 3.4Å; L404-L407 PolarHBondContact O-N 3.32Å; L404-L407 VanDerWaalsContact O-N 3.13Å
405	I	98.8	Very high	93.1	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-31.7	-170.6	-56	175.2	0	0	0	111.1	L75 T288 V381 L384 D387 Y402 L407 M408	L75-I405 HydrophobicContact CD1-CB 4.47Å; L75-I405 HydrophobicContact CD1-CG2 4.21Å; L75-I405 HydrophobicContact CD2-CB 4.12Å; L75-I405 HydrophobicContact CD2-CG2 3.61Å; L75-I405 HydrophobicContact CG-CB 4.3Å; L75-I405 HydrophobicContact CG-CG2 3.6Å; T288-I405 HydrophobicContact CG2-CD1 4.31Å; T288-I405 HydrophobicContact CG2-CG1 3.9Å; V381-I405 HydrophobicContact CB-CG1 4.34Å; V381-I405 HydrophobicContact CG1-CG1 4.16Å; V381-I405 HydrophobicContact CG1-CG2 4.41Å; V381-I405 HydrophobicContact CG2-CD1 3.89Å; V381-I405 HydrophobicContact CG2-CG1 3.99Å; V381-I405 HydrophobicContact CG2-CG2 3.96Å; L384-I405 HydrophobicContact CD2-CD1 4.08Å; D387-I405 HydrophobicContact CB-CD1 3.8Å; D387-I405 HydrophobicContact CB-CG1 4Å; D387-I405 WeakPolarHBondContact OD2-CG1 3.4Å; D387-I405 PolarHBondContact OD2-N 2.83Å; Y402-I405 HydrophobicContact CD1-CB 4.5Å; Y402-I405 HydrophobicContact CD1-CD1 3.95Å; Y402-I405 HydrophobicContact CE1-CD1 4.44Å; Y402-I405 PolarHBondContact O-N 3.03Å; I405-L407 PolarHBondContact O-N 2.88Å; I405-L407 VanDerWaalsContact O-N 3.11Å; I405-M408 HydrophobicContact CG2-CE 3.66Å; I405-M408 PolarHBondContact O-N 2.97Å
406	S	98.5	Very high	90.5	Very high	7 Å²	7	48.2 Å²	48.2	5%	0.049	26%	0.262	C	S	.	.	H	α-helix	trans	-58.2	-26.2	176.3	-59.9	0	0	0	0	112.9	K401 Y402 L404 M408 Q409 E410	K401-S406 PolarHBondContact O-OG 3.44Å; Y402-S406 WeakPolarHBondContact O-CB 3.42Å; Y402-S406 PolarHBondContact O-N 3.26Å; Y402-S406 PolarHBondContact O-OG 2.04Å; L404-S406 VanDerWaalsContact C-N 3.29Å; L404-S406 PolarHBondContact O-N 2.99Å; S406-M408 PolarHBondContact O-N 2.91Å; S406-Q409 PolarHBondContact O-N 3.37Å; S406-Q409 VanDerWaalsContact O-N 3.11Å; S406-E410 WeakPolarHBondContact CB-OE1 3.39Å; S406-E410 WeakPolarHBondContact O-CB 3.37Å; S406-E410 VanDerWaalsContact O-CG 3.3Å; S406-E410 WeakPolarHBondContact O-CG 3.41Å; S406-E410 PolarHBondContact O-N 3.18Å
407	L	98.4	Very high	87.6	Confident	11 Å²	11	49.4 Å²	49.4	6%	0.058	27%	0.274	C	S	.	.	H	α-helix	trans	-59.3	-33.1	176.9	-64.5	171.3	0	0	0	112.3	V361 L364 I368 L404 I405 E410 M411	V361-L407 HydrophobicContact CG1-CD1 4.23Å; V361-L407 HydrophobicContact CG1-CD2 4.44Å; L364-L407 HydrophobicContact CB-CD1 3.63Å; I368-L407 HydrophobicContact CD1-CB 3.61Å; L404-L407 VanDerWaalsContact O-CB 3.27Å; L404-L407 WeakPolarHBondContact O-CB 3.34Å; L404-L407 WeakPolarHBondContact O-CG 3.4Å; L404-L407 PolarHBondContact O-N 3.32Å; L404-L407 VanDerWaalsContact O-N 3.13Å; I405-L407 PolarHBondContact O-N 2.88Å; I405-L407 VanDerWaalsContact O-N 3.11Å; L407-E410 PolarHBondContact O-N 3.38Å; L407-M411 HydrophobicContact CB-SD 4.15Å; L407-M411 HydrophobicContact CD2-SD 4.2Å; L407-M411 WeakPolarHBondContact O-CB 3.29Å; L407-M411 VanDerWaalsContact O-CG 3.28Å; L407-M411 WeakPolarHBondContact O-CG 3.15Å; L407-M411 PolarHBondContact O-N 2.88Å
408	M	97.9	Very high	84.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-46.6	175.9	-70.4	-165.5	-61.8	0	0	111	R49 G50 L286 I368 A379 V381 I405 S406 L412	R49-M408 HydrophobicContact CB-CB 4.49Å; R49-M408 VanDerWaalsContact CD-O 3.24Å; R49-M408 WeakPolarHBondContact CD-O 3.45Å; R49-M408 HydrophobicContact CG-CB 4.18Å; G50-M408 WeakPolarHBondContact O-CE 3.49Å; L286-M408 HydrophobicContact CD1-CG 4.37Å; I368-M408 HydrophobicContact CD1-CG 4.24Å; A379-M408 HydrophobicContact CB-CG 4.03Å; A379-M408 HydrophobicContact CB-SD 3.55Å; A379-M408 VanDerWaalsContact CB-SD 3.55Å; V381-M408 HydrophobicContact CB-CE 4.41Å; V381-M408 HydrophobicContact CG1-CE 3.62Å; V381-M408 HydrophobicContact CG1-SD 3.9Å; V381-M408 HydrophobicContact CG2-CE 4.01Å; I405-M408 HydrophobicContact CG2-CE 3.66Å; I405-M408 PolarHBondContact O-N 2.97Å; S406-M408 PolarHBondContact O-N 2.91Å; M408-L412 WeakPolarHBondContact O-CA 3.05Å; M408-L412 WeakPolarHBondContact O-CB 3.37Å; M408-L412 PolarHBondContact O-N 2.96Å
409	Q	95.8	Very high	81.8	Confident	16 Å²	16	48.4 Å²	48.4	8%	0.075	28%	0.281	C	S	.	.	H	α-helix	trans	-65.3	-46.5	178	-169.8	-75.7	-28.9	0	0	110.7	N74 S406 M411 G413 Y416	N74-Q409 WeakPolarHBondContact O-CG 3.09Å; S406-Q409 PolarHBondContact O-N 3.37Å; S406-Q409 VanDerWaalsContact O-N 3.11Å; Q409-M411 VanDerWaalsContact C-N 3.34Å; Q409-M411 PolarHBondContact O-N 3.09Å; Q409-G413 VanDerWaalsContact O-CA 3.27Å; Q409-G413 WeakPolarHBondContact O-CA 3.44Å; Q409-G413 PolarHBondContact O-N 3.24Å; Q409-Y416 PolarHBondContact NE2-O 2.95Å
410	E	96.2	Very high	78.8	Confident	99 Å²	99	49.9 Å²	49.9	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-65.5	-35.1	-175.7	-70.8	165.4	-165.1	0	0	112.6	K400 S406 L407	K400-E410 WeakPolarHBondContact CE-OE1 3.34Å; K400-E410 VanDerWaalsContact NZ-CD 3.34Å; K400-E410 IonicContact NZ-OE1 3.17Å; K400-E410 PolarHBondContact NZ-OE1 3.08Å; K400-E410 IonicContact NZ-OE2 2.78Å; K400-E410 PolarHBondContact NZ-OE2 2.76Å; S406-E410 WeakPolarHBondContact CB-OE1 3.39Å; S406-E410 WeakPolarHBondContact O-CB 3.37Å; S406-E410 VanDerWaalsContact O-CG 3.3Å; S406-E410 WeakPolarHBondContact O-CG 3.41Å; S406-E410 PolarHBondContact O-N 3.18Å; L407-E410 PolarHBondContact O-N 3.38Å
411	M	96.2	Very high	75.9	Confident	36 Å²	36	53.1 Å²	53.1	18%	0.177	31%	0.311	C	S	.	.	H	α-helix	trans	-107.4	-24.2	-171	-59.7	176.3	67.3	0	0	114.6	T365 I368 N369 K372 L407 Q409	T365-M411 HydrophobicContact CG2-CE 3.86Å; T365-M411 HydrophobicContact CG2-SD 4.25Å; I368-M411 HydrophobicContact CB-CE 3.98Å; I368-M411 HydrophobicContact CB-SD 4.07Å; I368-M411 HydrophobicContact CD1-SD 4.28Å; I368-M411 HydrophobicContact CG2-CB 3.6Å; I368-M411 HydrophobicContact CG2-CE 3.89Å; I368-M411 HydrophobicContact CG2-CG 4.4Å; I368-M411 HydrophobicContact CG2-SD 3.97Å; N369-M411 HydrophobicContact CB-CE 4.47Å; N369-M411 VanDerWaalsContact CG-CE 3.45Å; N369-M411 WeakPolarHBondContact OD1-CE 3.46Å; K372-M411 WeakPolarHBondContact CD-O 3.36Å; K372-M411 PolarHBondContact NZ-O 2.92Å; L407-M411 HydrophobicContact CB-SD 4.15Å; L407-M411 HydrophobicContact CD2-SD 4.2Å; L407-M411 WeakPolarHBondContact O-CB 3.29Å; L407-M411 VanDerWaalsContact O-CG 3.28Å; L407-M411 WeakPolarHBondContact O-CG 3.15Å; L407-M411 PolarHBondContact O-N 2.88Å; Q409-M411 VanDerWaalsContact C-N 3.34Å; Q409-M411 PolarHBondContact O-N 3.09Å
412	L	95.6	Very high	72.7	Confident	6 Å²	6	55.5 Å²	55.5	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-112.3	-10.4	179.8	-57	177.7	0	0	0	112.9	Y47 R49 I368 I371 K372 A379 M408	Y47-L412 HydrophobicContact CD1-CD2 4.14Å; Y47-L412 HydrophobicContact CD2-CB 4.48Å; Y47-L412 HydrophobicContact CD2-CD2 4.16Å; Y47-L412 HydrophobicContact CG-CB 4.26Å; Y47-L412 HydrophobicContact CG-CD2 3.93Å; R49-L412 HydrophobicContact CG-CB 4.29Å; I368-L412 HydrophobicContact CG2-CD1 4.03Å; I368-L412 HydrophobicContact CG2-CD2 3.64Å; I368-L412 HydrophobicContact CG2-CG 3.58Å; I371-L412 HydrophobicContact CG2-CD2 4.4Å; K372-L412 HydrophobicContact CD-CD2 3.96Å; K372-L412 HydrophobicContact CG-CD2 3.52Å; A379-L412 HydrophobicContact CB-CD1 3.9Å; M408-L412 WeakPolarHBondContact O-CA 3.05Å; M408-L412 WeakPolarHBondContact O-CB 3.37Å; M408-L412 PolarHBondContact O-N 2.96Å
413	G	86.4	Confident	69.3	Low	22 Å²	22	60.7 Å²	60.7	23%	0.227	36%	0.36	C	S	.	.	S	Bend	trans	-72.9	140.9	174	0	0	0	0	0	112.1	Q409 G415	Q409-G413 VanDerWaalsContact O-CA 3.27Å; Q409-G413 WeakPolarHBondContact O-CA 3.44Å; Q409-G413 PolarHBondContact O-N 3.24Å; G413-G415 PolarHBondContact O-N 3.46Å
414	N	66.9	Low	66	Low	96 Å²	96	65.9 Å²	65.9	51%	0.513	39%	0.392	S	S	.	.	S	Bend	trans	-75.6	67.9	177.6	-83.7	-13	0	0	0	112.3	A44 E45 Y416	A44-N414 HydrophobicContact CB-CB 4.47Å; A44-N414 WeakPolarHBondContact CB-OD1 3.27Å; A44-N414 PolarHBondContact O-ND2 3.15Å; E45-N414 PolarHBondContact O-OD1 3.37Å; N414-Y416 PolarHBondContact O-N 3.19Å
415	G	49	Very low	62.7	Low	65 Å²	65	72.4 Å²	72.4	67%	0.67	43%	0.432	S	S	*	.	S	Bend	trans	67.9	18.1	171	0	0	0	0	0	114.7	G413 V417	G413-G415 PolarHBondContact O-N 3.46Å; G415-V417 PolarHBondContact O-N 2.91Å
416	Y	40.5	Very low	59.5	Low	153 Å²	153	76.2 Å²	76.2	60%	0.6	46%	0.458	S	S	*	.			trans	-70.2	89.8	163.7	-142.9	-83.7	0	0	0	106.8	Q409 N414 S418	Q409-Y416 PolarHBondContact NE2-O 2.95Å; N414-Y416 PolarHBondContact O-N 3.19Å; Y416-S418 VanDerWaalsContact C-N 3.29Å; Y416-S418 PolarHBondContact O-N 2.99Å
417	V	33.7	Very low	56.3	Low	108 Å²	108	85.3 Å²	85.3	66%	0.655	50%	0.5	S	S	*	.			trans	-61.8	101.7	164.3	-175.4	0	0	0	0	104.1	G415	G415-V417 PolarHBondContact O-N 2.91Å
418	S	38.6	Very low	53.2	Low	63 Å²	63	90.1 Å²	90.1	44%	0.441	53%	0.53	S	S	.	.			trans	-43.6	129.6	160.5	-172.3	0	0	0	0	105.6	Y416 S420	Y416-S418 VanDerWaalsContact C-N 3.29Å; Y416-S418 PolarHBondContact O-N 2.99Å; S418-S420 VanDerWaalsContact C-N 3.27Å; S418-S420 PolarHBondContact O-N 2.83Å
419	P	34.6	Very low	50	Low	113 Å²	113	96.3 Å²	96.3	73%	0.734	57%	0.568	S	S	*	*			trans	-53.4	100.4	-173.3	-20.4	29.5	0	0	0	107.8	T421	P419-T421 PolarHBondContact O-N 2.82Å
420	S	34.1	Very low	46.8	Very low	74 Å²	74	101.9 Å²	101.9	52%	0.517	60%	0.603	S	S	.	*			trans	-55.4	133.7	163	51.2	0	0	0	0	102.7	S418 E422	S418-S420 VanDerWaalsContact C-N 3.27Å; S418-S420 PolarHBondContact O-N 2.83Å; S420-E422 PolarHBondContact O-N 3.13Å
421	T	36.9	Very low	43.6	Very low	139 Å²	139	102.9 Å²	102.9	85%	0.853	62%	0.616	S	S	*	*			trans	-62.1	70.3	167.7	-42.3	0	0	0	0	107.5	P419 S423	P419-T421 PolarHBondContact O-N 2.82Å; T421-S423 PolarHBondContact O-N 3.34Å; T421-S423 VanDerWaalsContact O-N 3.12Å
422	E	31.4	Very low	40.7	Very low	157 Å²	157	106.5 Å²	106.5	73%	0.734	64%	0.642	S	S	*	*			trans	-65.6	111.4	164.7	-111.6	-177.6	169.5	0	0	103.8	S420 T424	S420-E422 PolarHBondContact O-N 3.13Å; E422-T424 PolarHBondContact O-N 3.01Å
423	S	29.3	Very low	37.7	Very low	108 Å²	108	112.1 Å²	112.1	76%	0.755	68%	0.682	S	S	*	*			trans	-63.1	77.1	172.4	-67.3	0	0	0	0	108.3	T421 T425	T421-S423 PolarHBondContact O-N 3.34Å; T421-S423 VanDerWaalsContact O-N 3.12Å; S423-T425 PolarHBondContact O-N 3.21Å
424	T	27.7	Very low	35.2	Very low	110 Å²	110	115.9 Å²	115.9	68%	0.675	70%	0.701	S	S	*	*			trans	-66.6	108.8	166	-43.4	0	0	0	0	105.6	E422 S426	E422-T424 PolarHBondContact O-N 3.01Å; T424-S426 PolarHBondContact O-N 2.85Å
425	T	29.7	Very low	34	Very low	138 Å²	138	116.8 Å²	116.8	85%	0.847	71%	0.71	S	S	*	*			trans	-68	73.8	172.9	-51.8	0	0	0	0	107.7	S423	S423-T425 PolarHBondContact O-N 3.21Å
426	S	32.5	Very low	33.7	Very low	79 Å²	79	117.9 Å²	117.9	55%	0.552	70%	0.703	S	S	*	*			trans	-88	122.5	160.8	-66.3	0	0	0	0	106.1	T424 V428	T424-S426 PolarHBondContact O-N 2.85Å; S426-V428 PolarHBondContact O-N 2.8Å
427	Q	30.7	Very low	34.1	Very low	199 Å²	199	115 Å²	115	93%	0.93	70%	0.702	S	S	*	*			trans	-56.8	89.5	165.4	-78	177.9	-37.8	0	0	108.2
428	V	34.6	Very low	35.3	Very low	112 Å²	112	113.1 Å²	113.1	68%	0.679	69%	0.691	S	S	*	*			trans	-100.5	114.6	169.8	178.7	0	0	0	0	105.6	S426 T430	S426-V428 PolarHBondContact O-N 2.8Å; V428-T430 PolarHBondContact O-N 3.27Å
429	T	29.2	Very low	36.1	Very low	129 Å²	129	114.9 Å²	114.9	79%	0.791	70%	0.699	S	S	*	*			trans	-45.2	111.4	167.4	-50.7	0	0	0	0	108.9	T431	T429-T431 PolarHBondContact O-N 2.97Å; T429-T431 VanDerWaalsContact O-N 3.15Å
430	T	28.3	Very low	37	Very low	133 Å²	133	111 Å²	111	82%	0.816	67%	0.674	S	S	*	*			trans	-66.7	109.1	-178.8	46	0	0	0	0	110.2	V428	V428-T430 PolarHBondContact O-N 3.27Å
431	T	30.4	Very low	38	Very low	121 Å²	121	112.3 Å²	112.3	74%	0.742	68%	0.682	S	S	*	*			trans	-116.9	113.7	154.2	-48.3	0	0	0	0	107.2	T429 S433	T429-T431 PolarHBondContact O-N 2.97Å; T429-T431 VanDerWaalsContact O-N 3.15Å; T431-S433 PolarHBondContact O-N 3.5Å
432	P	33.8	Very low	38.5	Very low	111 Å²	111	111.4 Å²	111.4	72%	0.721	69%	0.688	S	S	*	*			trans	-74.1	118.9	179.7	29.1	-31.7	0	0	0	110.1	T434	P432-T434 PolarHBondContact O-N 3.37Å
433	S	32.8	Very low	39.7	Very low	124 Å²	124	107.3 Å²	107.3	87%	0.867	69%	0.688	S	S	*	*			trans	-87.3	97.4	163.5	-86.1	0	0	0	0	109.3	T431 T435	T431-S433 PolarHBondContact O-N 3.5Å; S433-T435 PolarHBondContact O-N 3.01Å
434	T	34.1	Very low	41.9	Very low	101 Å²	101	105.5 Å²	105.5	62%	0.62	68%	0.68	S	S	*	*			trans	-72.9	111.9	171.1	-49.6	0	0	0	0	109.7	P432 T436	P432-T434 PolarHBondContact O-N 3.37Å; T434-T436 VanDerWaalsContact C-N 3.35Å; T434-T436 PolarHBondContact O-N 3.21Å; T434-T436 PolarHBondContact O-OG1 2.93Å
435	T	41.5	Very low	44.5	Very low	115 Å²	115	102.1 Å²	102.1	71%	0.706	66%	0.655	S	S	*	*			trans	-72.7	94.8	163.8	-51	0	0	0	0	107.7	S433 T437	S433-T435 PolarHBondContact O-N 3.01Å; T435-T437 PolarHBondContact O-N 3.07Å
436	T	43.3	Very low	47.3	Very low	88 Å²	88	103.9 Å²	103.9	54%	0.54	65%	0.654	S	S	.	*			trans	-87.8	104.4	-175.1	-37.4	0	0	0	0	108.2	T434 T438	T434-T436 VanDerWaalsContact C-N 3.35Å; T434-T436 PolarHBondContact O-N 3.21Å; T434-T436 PolarHBondContact O-OG1 2.93Å; T436-T438 HydrophobicContact CG2-CG2 3.9Å; T436-T438 PolarHBondContact O-N 3.31Å
437	T	48.6	Very low	50	Low	93 Å²	93	101.4 Å²	101.4	57%	0.571	64%	0.636	S	S	*	*			trans	-85.5	105.8	168.8	-47.3	0	0	0	0	107	T435	T435-T437 PolarHBondContact O-N 3.07Å
438	T	59.7	Low	52.7	Low	69 Å²	69	96.5 Å²	96.5	42%	0.423	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.5	127.1	175.3	44.6	0	0	0	0	109.8	T436 S440 K472	T436-T438 HydrophobicContact CG2-CG2 3.9Å; T436-T438 PolarHBondContact O-N 3.31Å; T438-S440 PolarHBondContact O-N 3.41Å; T438-K472 PolarHBondContact O-N 3.03Å
439	T	54.2	Low	55.4	Low	100 Å²	100	94.5 Å²	94.5	61%	0.613	61%	0.613	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-66.4	121.1	162.3	44.8	0	0	0	0	107.7	F471	T439-F471 HydrophobicContact CG2-CD1 4.02Å; T439-F471 HydrophobicContact CG2-CE1 3.89Å
440	S	54.8	Low	58.3	Low	30 Å²	30	93.4 Å²	93.4	21%	0.21	60%	0.602	C	S	.	*	P	Polyproline II helix	trans	-65	131.8	178.9	-158.5	0	0	0	0	109.4	T438 A442 A444 A470	T438-S440 PolarHBondContact O-N 3.41Å; S440-A442 PolarHBondContact O-N 2.99Å; S440-A444 WeakPolarHBondContact OG-CB 3.28Å; S440-A470 PolarHBondContact N-O 3.14Å
441	P	54.5	Low	61.3	Low	103 Å²	103	88.5 Å²	88.5	67%	0.669	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-53.9	142.2	170.7	-20.9	30.8	0	0	0	110	G443 A444	P441-G443 PolarHBondContact O-N 2.85Å; P441-A444 PolarHBondContact O-N 3Å
442	A	46.9	Very low	64.2	Low	119 Å²	119	85.5 Å²	85.5	98%	0.983	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.8	108.1	179.9	0	0	0	0	0	110.7	S440	S440-A442 PolarHBondContact O-N 2.99Å
443	G	58.3	Low	67.1	Low	71 Å²	71	82.1 Å²	82.1	73%	0.732	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	123.7	-12.9	176.3	0	0	0	0	0	117.2	P441	P441-G443 PolarHBondContact O-N 2.85Å
444	A	73.5	Confident	69.9	Low	71 Å²	71	79 Å²	79	59%	0.587	51%	0.509	S	S	*	.	S	Bend	trans	-85	-25	-176.3	0	0	0	0	0	114.9	S440 P441	S440-A444 WeakPolarHBondContact OG-CB 3.28Å; P441-A444 PolarHBondContact O-N 3Å
445	F	83.9	Confident	72.6	Confident	38 Å²	38	74.6 Å²	74.6	17%	0.167	48%	0.481	C	S	.	.			trans	-146.7	124.9	170.5	-174	-93.2	0	0	0	109.7	F453 P456 Y463 A470	F445-F453 HydrophobicContact CE1-CB 4.06Å; F445-F453 HydrophobicContact CE1-CG 4.44Å; F445-F453 HydrophobicContact CZ-CB 3.52Å; F445-F453 HydrophobicContact CZ-CG 4.16Å; F445-P456 HydrophobicContact CD2-CG 4.39Å; F445-P456 HydrophobicContact CE2-CG 4.28Å; F445-Y463 HydrophobicContact CB-CD1 3.98Å; F445-Y463 HydrophobicContact CB-CD2 4.07Å; F445-Y463 HydrophobicContact CB-CE1 3.68Å; F445-Y463 HydrophobicContact CB-CE2 3.79Å; F445-Y463 HydrophobicContact CB-CG 4.15Å; F445-Y463 AromaticContact CD1-CD1 3.91Å; F445-Y463 HydrophobicContact CD1-CD1 3.91Å; F445-Y463 AromaticContact CD1-CD2 3.69Å; F445-Y463 HydrophobicContact CD1-CD2 3.69Å; F445-Y463 HydrophobicContact CD1-CE1 4.47Å; F445-Y463 HydrophobicContact CD1-CE2 4.29Å; F445-Y463 AromaticContact CD1-CG 3.46Å; F445-Y463 HydrophobicContact CD1-CG 3.46Å; F445-Y463 VanDerWaalsContact CD1-CG 3.46Å; F445-Y463 AromaticContact CD2-CD2 3.27Å; F445-Y463 HydrophobicContact CD2-CD2 3.27Å; F445-Y463 AromaticContact CD2-CE2 3.32Å; F445-Y463 HydrophobicContact CD2-CE2 3.32Å; F445-Y463 AromaticContact CD2-CG 3.96Å; F445-Y463 HydrophobicContact CD2-CG 3.96Å; F445-Y463 AromaticContact CE1-CD2 3.89Å; F445-Y463 HydrophobicContact CE1-CD2 3.89Å; F445-Y463 AromaticContact CE1-CG 3.76Å; F445-Y463 HydrophobicContact CE1-CG 3.76Å; F445-Y463 AromaticContact CE2-CD2 3.48Å; F445-Y463 HydrophobicContact CE2-CD2 3.48Å; F445-Y463 VanDerWaalsContact CE2-CD2 3.48Å; F445-Y463 AromaticContact CE2-CE2 3.94Å; F445-Y463 HydrophobicContact CE2-CE2 3.94Å; F445-Y463 HydrophobicContact CE2-CG 4.22Å; F445-Y463 AromaticContact CG-CD1 3.92Å; F445-Y463 HydrophobicContact CG-CD1 3.92Å; F445-Y463 AromaticContact CG-CD2 3.38Å; F445-Y463 HydrophobicContact CG-CD2 3.38Å; F445-Y463 HydrophobicContact CG-CE1 4.04Å; F445-Y463 AromaticContact CG-CE2 3.53Å; F445-Y463 HydrophobicContact CG-CE2 3.53Å; F445-Y463 AromaticContact CG-CG 3.58Å; F445-Y463 HydrophobicContact CG-CG 3.58Å; F445-Y463 AromaticContact CG-CZ 3.86Å; F445-Y463 AromaticContact CZ-CD2 3.8Å; F445-Y463 HydrophobicContact CZ-CD2 3.8Å; F445-Y463 HydrophobicContact CZ-CG 4.14Å; F445-A470 HydrophobicContact CB-CB 4.27Å; F445-A470 HydrophobicContact CD1-CB 3.74Å; F445-A470 HydrophobicContact CG-CB 4.47Å
446	Q	88.2	Confident	74.8	Confident	175 Å²	175	73.9 Å²	73.9	82%	0.818	48%	0.478	S	S	*	.			trans	-95.7	122.4	176.1	-82.6	178.3	-23.1	0	0	109.7	P448	Q446-P448 WeakPolarHBondContact O-CD 3.45Å
447	C	88.2	Confident	76.8	Confident	27 Å²	27	77.2 Å²	77.2	18%	0.182	49%	0.488	C	S	.	.			trans	-66.5	116.9	175.8	-72.4	0	0	0	0	111.3	C465 T469	C447-C465 WeakPolarHBondContact CA-SG 3.44Å; C447-C465 HydrophobicContact CB-CB 3.56Å; C447-C465 WeakPolarHBondContact CB-SG 2.91Å; C447-C465 VanDerWaalsContact SG-CA 3.54Å; C447-C465 WeakPolarHBondContact SG-CB 3.29Å; C447-C465 CovalentContact SG-SG 2.03Å; C447-C465 PolarHBondContact SG-SG 3.27Å; C447-T469 VanDerWaalsContact SG-C 3.57Å
448	P	88.2	Confident	78.8	Confident	96 Å²	96	73.8 Å²	73.8	62%	0.623	47%	0.468	S	S	*	.	S	Bend	trans	-69.4	-36.9	175.8	-19.4	33.9	0	0	0	112.4	Q446 F453	Q446-P448 WeakPolarHBondContact O-CD 3.45Å; P448-F453 HydrophobicContact CB-CE1 3.88Å; P448-F453 HydrophobicContact CB-CZ 4.09Å; P448-F453 HydrophobicContact CG-CD1 3.84Å; P448-F453 HydrophobicContact CG-CE1 3.59Å; P448-F453 HydrophobicContact CG-CG 4.45Å; P448-F453 HydrophobicContact CG-CZ 4.04Å
449	S	91.5	Very high	80.3	Confident	71 Å²	71	71.6 Å²	71.6	50%	0.497	46%	0.455	S	S	.	.	S	Bend	trans	-156.3	179.5	171.9	69.1	0	0	0	0	108.4	F453 C465	S449-F453 WeakPolarHBondContact O-CE2 3.48Å; S449-F453 WeakPolarHBondContact OG-CZ 3.26Å; S449-C465 WeakPolarHBondContact O-CB 3.44Å
450	D	90.2	Very high	82.1	Confident	105 Å²	105	69.4 Å²	69.4	56%	0.561	44%	0.44	S	S	*	.	S	Bend	trans	-67.6	139.9	164.4	-73	-5.3	0	0	0	109.4	C465 A466 G467	D450-C465 WeakPolarHBondContact CA-O 3.5Å; D450-A466 WeakPolarHBondContact OD1-CA 3.03Å; D450-G467 PolarHBondContact OD1-N 2.94Å; D450-G467 PolarHBondContact OD2-N 3.28Å
451	G	90.4	Very high	83.9	Confident	31 Å²	31	69.2 Å²	69.2	32%	0.32	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	143.8	-172	-174.2	0	0	0	0	0	114.4	C465	G451-C465 PolarHBondContact N-O 2.89Å; G451-C465 PolarHBondContact O-N 3.29Å
452	L	92.7	Very high	85.7	Confident	57 Å²	57	65 Å²	65	30%	0.298	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.2	177.5	-58	-176.2	0	0	0	110.4	F462 Y463 Q464 F481 S486	L452-F462 HydrophobicContact CB-CD2 4.43Å; L452-F462 HydrophobicContact CD1-CD2 4.48Å; L452-F462 HydrophobicContact CD1-CE2 4.12Å; L452-F462 HydrophobicContact CD2-CD2 4.02Å; L452-F462 HydrophobicContact CD2-CE2 3.86Å; L452-F462 HydrophobicContact CG-CE2 4.49Å; L452-Y463 CarbonylContact C-O 3.51Å; L452-Y463 WeakPolarHBondContact CA-O 3.28Å; L452-Q464 HydrophobicContact CD2-CB 3.61Å; L452-Q464 HydrophobicContact CD2-CG 3.75Å; L452-F481 HydrophobicContact CB-CE2 3.84Å; L452-F481 HydrophobicContact CB-CZ 3.69Å; L452-F481 HydrophobicContact CD1-CE2 4.32Å; L452-S486 WeakPolarHBondContact CD1-O 3.42Å
453	F	93.8	Very high	87.9	Confident	41 Å²	41	59.9 Å²	59.9	18%	0.18	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.8	-175.7	-62.4	-87.4	0	0	0	111.6	F445 P448 S449 F462 Y463 C465	F445-F453 HydrophobicContact CE1-CB 4.06Å; F445-F453 HydrophobicContact CE1-CG 4.44Å; F445-F453 HydrophobicContact CZ-CB 3.52Å; F445-F453 HydrophobicContact CZ-CG 4.16Å; P448-F453 HydrophobicContact CB-CE1 3.88Å; P448-F453 HydrophobicContact CB-CZ 4.09Å; P448-F453 HydrophobicContact CG-CD1 3.84Å; P448-F453 HydrophobicContact CG-CE1 3.59Å; P448-F453 HydrophobicContact CG-CG 4.45Å; P448-F453 HydrophobicContact CG-CZ 4.04Å; S449-F453 WeakPolarHBondContact O-CE2 3.48Å; S449-F453 WeakPolarHBondContact OG-CZ 3.26Å; F453-F462 CarbonylContact O-C 3.52Å; F453-F462 VanDerWaalsContact O-CA 3.3Å; F453-F462 WeakPolarHBondContact O-CA 3.35Å; F453-F462 VanDerWaalsContact O-CB 3.29Å; F453-F462 WeakPolarHBondContact O-CB 3.32Å; F453-Y463 PolarHBondContact N-O 3.41Å; F453-Y463 PolarHBondContact O-N 2Å; F453-C465 HydrophobicContact CD2-CB 4.06Å; F453-C465 HydrophobicContact CE2-CB 3.88Å
454	P	91.8	Very high	89.6	Confident	59 Å²	59	60.4 Å²	60.4	38%	0.383	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	141.7	177.9	27.6	-34	0	0	0	111	P456 F481 P483	P454-P456 WeakPolarHBondContact O-CD 3.45Å; P454-F481 HydrophobicContact CB-CD1 3.92Å; P454-F481 HydrophobicContact CB-CE1 4.22Å; P454-P483 HydrophobicContact CB-CB 4.45Å; P454-P483 HydrophobicContact CG-CB 4.15Å
455	D	91.1	Very high	90.4	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.043	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	119.2	166.8	178.5	4.9	0	0	0	109.2	Q457 S458 N461 Y463 K472	D455-Q457 PolarHBondContact O-N 3.28Å; D455-Q457 PolarHBondContact OD1-N 3.05Å; D455-S458 PolarHBondContact O-N 3Å; D455-N461 HydrophobicContact CB-CB 3.71Å; D455-N461 WeakPolarHBondContact CB-O 3.36Å; D455-N461 PolarHBondContact N-O 3.14Å; D455-N461 WeakPolarHBondContact OD2-CB 3.37Å; D455-Y463 HydrophobicContact CB-CD2 4.21Å; D455-Y463 HydrophobicContact CB-CE2 3.87Å; D455-K472 IonicContact OD1-NZ 3.39Å; D455-K472 WeakPolarHBondContact OD2-CE 3.13Å; D455-K472 IonicContact OD2-NZ 3.99Å; D455-K472 PolarHBondContact OD2-NZ 3.38Å
456	P	87.2	Confident	90.6	Very high	99 Å²	99	57.6 Å²	57.6	64%	0.643	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.8	-180	-20.6	32.1	0	0	0	114.2	F445 P454	F445-P456 HydrophobicContact CD2-CG 4.39Å; F445-P456 HydrophobicContact CE2-CG 4.28Å; P454-P456 WeakPolarHBondContact O-CD 3.45Å
457	Q	86	Confident	90.4	Very high	158 Å²	158	52.6 Å²	52.6	74%	0.738	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-9.2	-175.6	-62.2	-178.1	-8.7	0	0	113.7	D455	D455-Q457 PolarHBondContact O-N 3.28Å; D455-Q457 PolarHBondContact OD1-N 3.05Å
458	S	89.7	Confident	90.1	Very high	22 Å²	22	54 Å²	54	15%	0.154	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	124.6	-179.2	-173.9	0	0	0	0	112.6	D455 N460 N461	D455-S458 PolarHBondContact O-N 3Å; S458-N460 PolarHBondContact O-N 2.89Å; S458-N460 PolarHBondContact OG-N 3.18Å; S458-N460 PolarHBondContact OG-OD1 2.8Å; S458-N461 WeakPolarHBondContact CB-ND2 3.38Å; S458-N461 PolarHBondContact O-N 2.77Å; S458-N461 VanDerWaalsContact O-N 3.14Å; S458-N461 PolarHBondContact OG-ND2 3.29Å
459	C	90.8	Very high	90	Very high	22 Å²	22	53 Å²	53	15%	0.149	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-17	177	-64.6	0	0	0	0	113.5	N461 M480 F481 C496	C459-N461 VanDerWaalsContact C-N 3.32Å; C459-M480 HydrophobicContact CB-CB 4.35Å; C459-M480 HydrophobicContact CB-CG 4.12Å; C459-M480 HydrophobicContact CB-SD 3.98Å; C459-M480 CarbonylContact O-C 3.59Å; C459-M480 WeakPolarHBondContact O-CA 3.43Å; C459-M480 WeakPolarHBondContact O-CB 3.36Å; C459-F481 PolarHBondContact O-N 3.3Å; C459-C496 HydrophobicContact CB-CB 3.8Å; C459-C496 WeakPolarHBondContact CB-SG 3.4Å; C459-C496 WeakPolarHBondContact SG-CB 3.19Å; C459-C496 CovalentContact SG-SG 2Å; C459-C496 PolarHBondContact SG-SG 3.35Å
460	N	91.8	Very high	89.8	Confident	55 Å²	55	50 Å²	50	29%	0.294	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-5.7	174	80.3	-6.7	0	0	0	113.2	S458 Q474 C475	S458-N460 PolarHBondContact O-N 2.89Å; S458-N460 PolarHBondContact OG-N 3.18Å; S458-N460 PolarHBondContact OG-OD1 2.8Å; N460-Q474 PolarHBondContact ND2-NE2 2.8Å; N460-Q474 CarbonylContact O-C 3.59Å; N460-Q474 WeakPolarHBondContact O-CA 3.35Å; N460-C475 WeakPolarHBondContact O-CB 3.37Å; N460-C475 PolarHBondContact O-N 2.8Å
461	N	92.5	Very high	89.8	Confident	25 Å²	25	48.2 Å²	48.2	13%	0.134	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	158.5	-179.8	-64.4	-43.6	0	0	0	111	D455 S458 C459 K472 M473 Q474	D455-N461 HydrophobicContact CB-CB 3.71Å; D455-N461 WeakPolarHBondContact CB-O 3.36Å; D455-N461 PolarHBondContact N-O 3.14Å; D455-N461 WeakPolarHBondContact OD2-CB 3.37Å; S458-N461 WeakPolarHBondContact CB-ND2 3.38Å; S458-N461 PolarHBondContact O-N 2.77Å; S458-N461 VanDerWaalsContact O-N 3.14Å; S458-N461 PolarHBondContact OG-ND2 3.29Å; C459-N461 VanDerWaalsContact C-N 3.32Å; N461-K472 WeakPolarHBondContact ND2-CE 3.43Å; N461-M473 CarbonylContact C-O 3.33Å; N461-M473 WeakPolarHBondContact CA-O 3.33Å; N461-M473 WeakPolarHBondContact CB-O 3.36Å; N461-Q474 WeakPolarHBondContact OD1-CA 3.29Å; N461-Q474 VanDerWaalsContact OD1-CB 3.29Å; N461-Q474 WeakPolarHBondContact OD1-CB 3.3Å; N461-Q474 VanDerWaalsContact OD1-CG 3.28Å; N461-Q474 WeakPolarHBondContact OD1-CG 3.35Å
462	F	93.7	Very high	89.8	Confident	16 Å²	16	48.8 Å²	48.8	7%	0.07	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	161.6	173.3	61.9	-82.2	0	0	0	110.2	L452 F453 M473 F481	L452-F462 HydrophobicContact CB-CD2 4.43Å; L452-F462 HydrophobicContact CD1-CD2 4.48Å; L452-F462 HydrophobicContact CD1-CE2 4.12Å; L452-F462 HydrophobicContact CD2-CD2 4.02Å; L452-F462 HydrophobicContact CD2-CE2 3.86Å; L452-F462 HydrophobicContact CG-CE2 4.49Å; F453-F462 CarbonylContact O-C 3.52Å; F453-F462 VanDerWaalsContact O-CA 3.3Å; F453-F462 WeakPolarHBondContact O-CA 3.35Å; F453-F462 VanDerWaalsContact O-CB 3.29Å; F453-F462 WeakPolarHBondContact O-CB 3.32Å; F462-M473 HydrophobicContact CD1-CB 4.32Å; F462-M473 HydrophobicContact CD2-CB 4.26Å; F462-M473 HydrophobicContact CE1-CB 3.91Å; F462-M473 HydrophobicContact CE2-CB 3.87Å; F462-M473 HydrophobicContact CE2-CE 3.41Å; F462-M473 VanDerWaalsContact CE2-CE 3.41Å; F462-M473 HydrophobicContact CE2-CG 4.41Å; F462-M473 HydrophobicContact CG-CB 4.49Å; F462-M473 HydrophobicContact CZ-CB 3.68Å; F462-M473 HydrophobicContact CZ-CE 3.5Å; F462-M473 PolarHBondContact N-O 3.4Å; F462-M473 PolarHBondContact O-N 2.86Å; F462-F481 HydrophobicContact CB-CB 3.92Å; F462-F481 HydrophobicContact CB-CD1 3.98Å; F462-F481 HydrophobicContact CB-CD2 3.38Å; F462-F481 HydrophobicContact CB-CE1 4.33Å; F462-F481 HydrophobicContact CB-CE2 3.78Å; F462-F481 HydrophobicContact CB-CG 3.47Å; F462-F481 VanDerWaalsContact CB-CG 3.47Å; F462-F481 HydrophobicContact CB-CZ 4.23Å; F462-F481 HydrophobicContact CD1-CB 4.31Å; F462-F481 AromaticContact CD1-CD2 3.72Å; F462-F481 HydrophobicContact CD1-CD2 3.72Å; F462-F481 HydrophobicContact CD1-CE2 4.44Å; F462-F481 HydrophobicContact CD1-CG 4.3Å; F462-F481 HydrophobicContact CD2-CD2 4.02Å; F462-F481 AromaticContact CD2-CE2 3.92Å; F462-F481 HydrophobicContact CD2-CE2 3.92Å; F462-F481 HydrophobicContact CE1-CD2 4.46Å; F462-F481 HydrophobicContact CG-CB 4.46Å; F462-F481 AromaticContact CG-CD2 3.45Å; F462-F481 HydrophobicContact CG-CD2 3.45Å; F462-F481 VanDerWaalsContact CG-CD2 3.45Å; F462-F481 AromaticContact CG-CE2 3.82Å; F462-F481 HydrophobicContact CG-CE2 3.82Å; F462-F481 HydrophobicContact CG-CG 4.04Å
463	Y	93.5	Very high	89.7	Confident	10 Å²	10	48.8 Å²	48.8	4%	0.039	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.6	173.7	-69.8	-81.7	0	0	0	109.9	F445 L452 F453 D455 A470 F471 K472	F445-Y463 HydrophobicContact CB-CD1 3.98Å; F445-Y463 HydrophobicContact CB-CD2 4.07Å; F445-Y463 HydrophobicContact CB-CE1 3.68Å; F445-Y463 HydrophobicContact CB-CE2 3.79Å; F445-Y463 HydrophobicContact CB-CG 4.15Å; F445-Y463 AromaticContact CD1-CD1 3.91Å; F445-Y463 HydrophobicContact CD1-CD1 3.91Å; F445-Y463 AromaticContact CD1-CD2 3.69Å; F445-Y463 HydrophobicContact CD1-CD2 3.69Å; F445-Y463 HydrophobicContact CD1-CE1 4.47Å; F445-Y463 HydrophobicContact CD1-CE2 4.29Å; F445-Y463 AromaticContact CD1-CG 3.46Å; F445-Y463 HydrophobicContact CD1-CG 3.46Å; F445-Y463 VanDerWaalsContact CD1-CG 3.46Å; F445-Y463 AromaticContact CD2-CD2 3.27Å; F445-Y463 HydrophobicContact CD2-CD2 3.27Å; F445-Y463 AromaticContact CD2-CE2 3.32Å; F445-Y463 HydrophobicContact CD2-CE2 3.32Å; F445-Y463 AromaticContact CD2-CG 3.96Å; F445-Y463 HydrophobicContact CD2-CG 3.96Å; F445-Y463 AromaticContact CE1-CD2 3.89Å; F445-Y463 HydrophobicContact CE1-CD2 3.89Å; F445-Y463 AromaticContact CE1-CG 3.76Å; F445-Y463 HydrophobicContact CE1-CG 3.76Å; F445-Y463 AromaticContact CE2-CD2 3.48Å; F445-Y463 HydrophobicContact CE2-CD2 3.48Å; F445-Y463 VanDerWaalsContact CE2-CD2 3.48Å; F445-Y463 AromaticContact CE2-CE2 3.94Å; F445-Y463 HydrophobicContact CE2-CE2 3.94Å; F445-Y463 HydrophobicContact CE2-CG 4.22Å; F445-Y463 AromaticContact CG-CD1 3.92Å; F445-Y463 HydrophobicContact CG-CD1 3.92Å; F445-Y463 AromaticContact CG-CD2 3.38Å; F445-Y463 HydrophobicContact CG-CD2 3.38Å; F445-Y463 HydrophobicContact CG-CE1 4.04Å; F445-Y463 AromaticContact CG-CE2 3.53Å; F445-Y463 HydrophobicContact CG-CE2 3.53Å; F445-Y463 AromaticContact CG-CG 3.58Å; F445-Y463 HydrophobicContact CG-CG 3.58Å; F445-Y463 AromaticContact CG-CZ 3.86Å; F445-Y463 AromaticContact CZ-CD2 3.8Å; F445-Y463 HydrophobicContact CZ-CD2 3.8Å; F445-Y463 HydrophobicContact CZ-CG 4.14Å; L452-Y463 CarbonylContact C-O 3.51Å; L452-Y463 WeakPolarHBondContact CA-O 3.28Å; F453-Y463 PolarHBondContact N-O 3.41Å; F453-Y463 PolarHBondContact O-N 2Å; D455-Y463 HydrophobicContact CB-CD2 4.21Å; D455-Y463 HydrophobicContact CB-CE2 3.87Å; Y463-A470 HydrophobicContact CD1-CB 3.88Å; Y463-F471 CarbonylContact C-O 3.52Å; Y463-F471 WeakPolarHBondContact CA-O 3.46Å; Y463-K472 HydrophobicContact CD1-CB 4.07Å; Y463-K472 HydrophobicContact CE1-CB 3.7Å; Y463-K472 HydrophobicContact CE1-CD 4.23Å; Y463-K472 HydrophobicContact CE1-CG 4.01Å
464	Q	92.8	Very high	89.6	Confident	83 Å²	83	51.6 Å²	51.6	39%	0.388	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	120.3	161.5	179.7	171.6	3.9	0	0	108.5	L452 F471 M473	L452-Q464 HydrophobicContact CD2-CB 3.61Å; L452-Q464 HydrophobicContact CD2-CG 3.75Å; Q464-F471 HydrophobicContact CB-CB 4.42Å; Q464-F471 PolarHBondContact N-O 3.44Å; Q464-F471 WeakPolarHBondContact O-CD2 3.33Å; Q464-F471 PolarHBondContact O-N 3.43Å; Q464-M473 HydrophobicContact CB-CE 4.39Å
465	C	91	Very high	89.5	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.034	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125	177.5	-77.7	0	0	0	0	110.3	C447 S449 D450 G451 F453 T469	C447-C465 WeakPolarHBondContact CA-SG 3.44Å; C447-C465 HydrophobicContact CB-CB 3.56Å; C447-C465 WeakPolarHBondContact CB-SG 2.91Å; C447-C465 VanDerWaalsContact SG-CA 3.54Å; C447-C465 WeakPolarHBondContact SG-CB 3.29Å; C447-C465 CovalentContact SG-SG 2.03Å; C447-C465 PolarHBondContact SG-SG 3.27Å; S449-C465 WeakPolarHBondContact O-CB 3.44Å; D450-C465 WeakPolarHBondContact CA-O 3.5Å; G451-C465 PolarHBondContact N-O 2.89Å; G451-C465 PolarHBondContact O-N 3.29Å; F453-C465 HydrophobicContact CD2-CB 4.06Å; F453-C465 HydrophobicContact CE2-CB 3.88Å; C465-T469 WeakPolarHBondContact CA-O 3.34Å
466	A	86.9	Confident	89.2	Confident	45 Å²	45	52.7 Å²	52.7	37%	0.372	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	122	175	0	0	0	0	0	110	D450 G468 T469 F471	D450-A466 WeakPolarHBondContact OD1-CA 3.03Å; A466-G468 PolarHBondContact O-N 2.55Å; A466-T469 PolarHBondContact N-O 3.08Å; A466-T469 VanDerWaalsContact N-O 3.09Å; A466-T469 PolarHBondContact O-N 2.64Å; A466-T469 VanDerWaalsContact O-N 3.07Å; A466-F471 HydrophobicContact CB-CE2 4.43Å
467	G	83.9	Confident	89.2	Confident	70 Å²	70	54.3 Å²	54.3	72%	0.722	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	34.3	-179.3	0	0	0	0	0	113.1	D450 T469	D450-G467 PolarHBondContact OD1-N 2.94Å; D450-G467 PolarHBondContact OD2-N 3.28Å; G467-T469 VanDerWaalsContact C-N 3.27Å; G467-T469 PolarHBondContact O-N 3.27Å
468	G	83.3	Confident	89	Confident	57 Å²	57	49.8 Å²	49.8	59%	0.588	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	0.7	-177.3	0	0	0	0	0	115.7	A466	A466-G468 PolarHBondContact O-N 2.55Å
469	T	84.8	Confident	89	Confident	73 Å²	73	50.6 Å²	50.6	45%	0.448	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131	176.5	-56.7	0	0	0	0	110.9	C447 C465 A466 G467 F471	C447-T469 VanDerWaalsContact SG-C 3.57Å; C465-T469 WeakPolarHBondContact CA-O 3.34Å; A466-T469 PolarHBondContact N-O 3.08Å; A466-T469 VanDerWaalsContact N-O 3.09Å; A466-T469 PolarHBondContact O-N 2.64Å; A466-T469 VanDerWaalsContact O-N 3.07Å; G467-T469 VanDerWaalsContact C-N 3.27Å; G467-T469 PolarHBondContact O-N 3.27Å; T469-F471 HydrophobicContact CG2-CD2 4.48Å; T469-F471 HydrophobicContact CG2-CE1 4.31Å; T469-F471 HydrophobicContact CG2-CE2 3.81Å; T469-F471 HydrophobicContact CG2-CZ 3.71Å
470	A	88.4	Confident	89.1	Confident	9 Å²	9	52 Å²	52	7%	0.074	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.2	179.8	0	0	0	0	0	112	S440 F445 Y463	S440-A470 PolarHBondContact N-O 3.14Å; F445-A470 HydrophobicContact CB-CB 4.27Å; F445-A470 HydrophobicContact CD1-CB 3.74Å; F445-A470 HydrophobicContact CG-CB 4.47Å; Y463-A470 HydrophobicContact CD1-CB 3.88Å
471	F	89	Confident	89.1	Confident	67 Å²	67	49.6 Å²	49.6	29%	0.294	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.8	174.6	-59.2	-88.4	0	0	0	109.4	T439 Y463 Q464 A466 T469 M473	T439-F471 HydrophobicContact CG2-CD1 4.02Å; T439-F471 HydrophobicContact CG2-CE1 3.89Å; Y463-F471 CarbonylContact C-O 3.52Å; Y463-F471 WeakPolarHBondContact CA-O 3.46Å; Q464-F471 HydrophobicContact CB-CB 4.42Å; Q464-F471 PolarHBondContact N-O 3.44Å; Q464-F471 WeakPolarHBondContact O-CD2 3.33Å; Q464-F471 PolarHBondContact O-N 3.43Å; A466-F471 HydrophobicContact CB-CE2 4.43Å; T469-F471 HydrophobicContact CG2-CD2 4.48Å; T469-F471 HydrophobicContact CG2-CE1 4.31Å; T469-F471 HydrophobicContact CG2-CE2 3.81Å; T469-F471 HydrophobicContact CG2-CZ 3.71Å; F471-M473 PolarHBondContact O-N 2.86Å
472	K	92.1	Very high	89.1	Confident	43 Å²	43	48.9 Å²	48.9	19%	0.187	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	124.3	178.5	-168.9	169.8	-176.6	156.4	0	109.5	T438 D455 N461 Y463	T438-K472 PolarHBondContact O-N 3.03Å; D455-K472 IonicContact OD1-NZ 3.39Å; D455-K472 WeakPolarHBondContact OD2-CE 3.13Å; D455-K472 IonicContact OD2-NZ 3.99Å; D455-K472 PolarHBondContact OD2-NZ 3.38Å; N461-K472 WeakPolarHBondContact ND2-CE 3.43Å; Y463-K472 HydrophobicContact CD1-CB 4.07Å; Y463-K472 HydrophobicContact CE1-CB 3.7Å; Y463-K472 HydrophobicContact CE1-CD 4.23Å; Y463-K472 HydrophobicContact CE1-CG 4.01Å
473	M	89.6	Confident	88.8	Confident	57 Å²	57	51.4 Å²	51.4	28%	0.281	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152.4	178.3	-58.2	-138.3	-63.3	0	0	110.1	N461 F462 Q464 F471	N461-M473 CarbonylContact C-O 3.33Å; N461-M473 WeakPolarHBondContact CA-O 3.33Å; N461-M473 WeakPolarHBondContact CB-O 3.36Å; F462-M473 HydrophobicContact CD1-CB 4.32Å; F462-M473 HydrophobicContact CD2-CB 4.26Å; F462-M473 HydrophobicContact CE1-CB 3.91Å; F462-M473 HydrophobicContact CE2-CB 3.87Å; F462-M473 HydrophobicContact CE2-CE 3.41Å; F462-M473 VanDerWaalsContact CE2-CE 3.41Å; F462-M473 HydrophobicContact CE2-CG 4.41Å; F462-M473 HydrophobicContact CG-CB 4.49Å; F462-M473 HydrophobicContact CZ-CB 3.68Å; F462-M473 HydrophobicContact CZ-CE 3.5Å; F462-M473 PolarHBondContact N-O 3.4Å; F462-M473 PolarHBondContact O-N 2.86Å; Q464-M473 HydrophobicContact CB-CE 4.39Å; F471-M473 PolarHBondContact O-N 2.86Å
474	Q	92.3	Very high	88.5	Confident	100 Å²	100	59.8 Å²	59.8	47%	0.467	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136	176.8	-169.9	172.8	7.7	0	0	109.4	N460 N461	N460-Q474 PolarHBondContact ND2-NE2 2.8Å; N460-Q474 CarbonylContact O-C 3.59Å; N460-Q474 WeakPolarHBondContact O-CA 3.35Å; N461-Q474 WeakPolarHBondContact OD1-CA 3.29Å; N461-Q474 VanDerWaalsContact OD1-CB 3.29Å; N461-Q474 WeakPolarHBondContact OD1-CB 3.3Å; N461-Q474 VanDerWaalsContact OD1-CG 3.28Å; N461-Q474 WeakPolarHBondContact OD1-CG 3.35Å
475	C	88.5	Confident	88.4	Confident	7 Å²	7	59.5 Å²	59.5	5%	0.047	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-62.6	151.6	171	-77.9	0	0	0	0	111.2	N460 L479 C488	N460-C475 WeakPolarHBondContact O-CB 3.37Å; N460-C475 PolarHBondContact O-N 2.8Å; C475-L479 HydrophobicContact CB-CB 4.13Å; C475-L479 WeakPolarHBondContact CB-O 3.21Å; C475-C488 WeakPolarHBondContact CA-SG 3.4Å; C475-C488 HydrophobicContact CB-CB 3.72Å; C475-C488 WeakPolarHBondContact CB-SG 3.42Å; C475-C488 WeakPolarHBondContact SG-CB 3.15Å; C475-C488 CovalentContact SG-SG 2.04Å; C475-C488 PolarHBondContact SG-SG 2.81Å
476	P	86.2	Confident	88.3	Confident	84 Å²	84	62.2 Å²	62.2	55%	0.545	40%	0.395	S	S	.	.	S	Bend	trans	-50.8	148.2	170.4	-25.9	34.2	0	0	0	111.7	G478 L479	P476-G478 PolarHBondContact O-N 3.49Å; P476-L479 HydrophobicContact CB-CD1 4.1Å; P476-L479 HydrophobicContact CG-CD1 4.21Å; P476-L479 WeakPolarHBondContact O-CB 3.47Å; P476-L479 PolarHBondContact O-N 2.79Å
477	S	85.9	Confident	88.6	Confident	133 Å²	133	62.4 Å²	62.4	93%	0.93	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	126.7	-176.4	-171.9	0	0	0	0	111.8
478	G	83.2	Confident	88.8	Confident	63 Å²	63	60.7 Å²	60.7	65%	0.649	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	-1.6	-179.7	0	0	0	0	0	115.8	P476	P476-G478 PolarHBondContact O-N 3.49Å
479	L	88.6	Confident	89.1	Confident	38 Å²	38	59.2 Å²	59.2	20%	0.199	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	154.7	177.5	-55.1	-177.3	0	0	0	112.2	C475 P476 C488 D489 Y490	C475-L479 HydrophobicContact CB-CB 4.13Å; C475-L479 WeakPolarHBondContact CB-O 3.21Å; P476-L479 HydrophobicContact CB-CD1 4.1Å; P476-L479 HydrophobicContact CG-CD1 4.21Å; P476-L479 WeakPolarHBondContact O-CB 3.47Å; P476-L479 PolarHBondContact O-N 2.79Å; L479-C488 HydrophobicContact CB-CB 4.02Å; L479-C488 HydrophobicContact CD1-CB 4.06Å; L479-D489 CarbonylContact C-O 3.48Å; L479-D489 WeakPolarHBondContact CA-O 2.94Å; L479-Y490 HydrophobicContact CD2-CD1 3.76Å; L479-Y490 HydrophobicContact CD2-CE1 3.86Å; L479-Y490 HydrophobicContact CD2-CG 4.17Å
480	M	92.1	Very high	89.3	Confident	51 Å²	51	63.2 Å²	63.2	25%	0.251	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.1	175.4	-66.7	-178.1	176.2	0	0	110.2	C459 N482 C488 D489 V494 C496	C459-M480 HydrophobicContact CB-CB 4.35Å; C459-M480 HydrophobicContact CB-CG 4.12Å; C459-M480 HydrophobicContact CB-SD 3.98Å; C459-M480 CarbonylContact O-C 3.59Å; C459-M480 WeakPolarHBondContact O-CA 3.43Å; C459-M480 WeakPolarHBondContact O-CB 3.36Å; M480-N482 PolarHBondContact O-N 2.86Å; M480-C488 CarbonylContact O-C 3.41Å; M480-C488 WeakPolarHBondContact O-CA 3.14Å; M480-D489 PolarHBondContact N-O 3.28Å; M480-D489 PolarHBondContact O-N 3.07Å; M480-V494 HydrophobicContact CB-CB 4.1Å; M480-V494 HydrophobicContact CB-CG1 4.15Å; M480-V494 HydrophobicContact CB-CG2 3.91Å; M480-C496 HydrophobicContact SD-CB 3.94Å
481	F	93.4	Very high	89.2	Confident	6 Å²	6	66.1 Å²	66.1	3%	0.026	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	121.6	176.4	-175.8	-99.3	0	0	0	110.4	L452 P454 C459 F462 P483 V494	L452-F481 HydrophobicContact CB-CE2 3.84Å; L452-F481 HydrophobicContact CB-CZ 3.69Å; L452-F481 HydrophobicContact CD1-CE2 4.32Å; P454-F481 HydrophobicContact CB-CD1 3.92Å; P454-F481 HydrophobicContact CB-CE1 4.22Å; C459-F481 PolarHBondContact O-N 3.3Å; F462-F481 HydrophobicContact CB-CB 3.92Å; F462-F481 HydrophobicContact CB-CD1 3.98Å; F462-F481 HydrophobicContact CB-CD2 3.38Å; F462-F481 HydrophobicContact CB-CE1 4.33Å; F462-F481 HydrophobicContact CB-CE2 3.78Å; F462-F481 HydrophobicContact CB-CG 3.47Å; F462-F481 VanDerWaalsContact CB-CG 3.47Å; F462-F481 HydrophobicContact CB-CZ 4.23Å; F462-F481 HydrophobicContact CD1-CB 4.31Å; F462-F481 AromaticContact CD1-CD2 3.72Å; F462-F481 HydrophobicContact CD1-CD2 3.72Å; F462-F481 HydrophobicContact CD1-CE2 4.44Å; F462-F481 HydrophobicContact CD1-CG 4.3Å; F462-F481 HydrophobicContact CD2-CD2 4.02Å; F462-F481 AromaticContact CD2-CE2 3.92Å; F462-F481 HydrophobicContact CD2-CE2 3.92Å; F462-F481 HydrophobicContact CE1-CD2 4.46Å; F462-F481 HydrophobicContact CG-CB 4.46Å; F462-F481 AromaticContact CG-CD2 3.45Å; F462-F481 HydrophobicContact CG-CD2 3.45Å; F462-F481 VanDerWaalsContact CG-CD2 3.45Å; F462-F481 AromaticContact CG-CE2 3.82Å; F462-F481 HydrophobicContact CG-CE2 3.82Å; F462-F481 HydrophobicContact CG-CG 4.04Å; F481-P483 HydrophobicContact CE1-CB 4.36Å; F481-P483 VanDerWaalsContact O-CD 3.32Å; F481-P483 WeakPolarHBondContact O-CD 3.34Å; F481-V494 WeakPolarHBondContact O-CG1 2.93Å
482	N	91.5	Very high	89.2	Confident	9 Å²	9	67.8 Å²	67.8	5%	0.048	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	106.2	177.2	-172.1	-18.7	0	0	0	109.6	M480 K484 T485 S486 S487 D489 N493 V494	M480-N482 PolarHBondContact O-N 2.86Å; N482-K484 PolarHBondContact O-N 3.49Å; N482-K484 WeakPolarHBondContact OD1-CB 2.92Å; N482-K484 PolarHBondContact OD1-N 3.03Å; N482-T485 WeakPolarHBondContact CB-OG1 3.39Å; N482-T485 PolarHBondContact O-N 3.26Å; N482-S486 WeakPolarHBondContact O-CA 3.34Å; N482-S486 PolarHBondContact O-N 3.05Å; N482-S487 WeakPolarHBondContact CB-O 3.49Å; N482-S487 PolarHBondContact N-O 2.9Å; N482-S487 PolarHBondContact O-N 2.98Å; N482-D489 HydrophobicContact CB-CB 3.88Å; N482-D489 PolarHBondContact ND2-OD2 3.37Å; N482-N493 PolarHBondContact ND2-O 3.46Å; N482-V494 HydrophobicContact CB-CG2 3.8Å
483	P	87.8	Confident	88.9	Confident	70 Å²	70	69.9 Å²	69.9	46%	0.455	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.2	-178.7	28.4	-35.2	0	0	0	113.3	P454 F481	P454-P483 HydrophobicContact CB-CB 4.45Å; P454-P483 HydrophobicContact CG-CB 4.15Å; F481-P483 HydrophobicContact CE1-CB 4.36Å; F481-P483 VanDerWaalsContact O-CD 3.32Å; F481-P483 WeakPolarHBondContact O-CD 3.34Å
484	K	88.1	Confident	88.7	Confident	185 Å²	185	67.8 Å²	67.8	80%	0.804	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-31.6	177.1	-61.9	-179.7	-179.8	174.3	0	112.5	N482	N482-K484 PolarHBondContact O-N 3.49Å; N482-K484 WeakPolarHBondContact OD1-CB 2.92Å; N482-K484 PolarHBondContact OD1-N 3.03Å
485	T	89.2	Confident	88.2	Confident	78 Å²	78	69 Å²	69	48%	0.479	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-2	-178.9	63.1	0	0	0	0	112.8	N482 S487	N482-T485 WeakPolarHBondContact CB-OG1 3.39Å; N482-T485 PolarHBondContact O-N 3.26Å; T485-S487 PolarHBondContact O-N 2.66Å; T485-S487 PolarHBondContact OG1-OG 3.4Å
486	S	90.4	Very high	87.8	Confident	61 Å²	61	70.4 Å²	70.4	43%	0.427	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	41.1	-174.4	-61.9	0	0	0	0	112.8	L452 N482	L452-S486 WeakPolarHBondContact CD1-O 3.42Å; N482-S486 WeakPolarHBondContact O-CA 3.34Å; N482-S486 PolarHBondContact O-N 3.05Å
487	S	91.3	Very high	86.7	Confident	49 Å²	49	74.1 Å²	74.1	34%	0.343	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	163.8	-176.8	69	0	0	0	0	112.1	N482 T485	N482-S487 WeakPolarHBondContact CB-O 3.49Å; N482-S487 PolarHBondContact N-O 2.9Å; N482-S487 PolarHBondContact O-N 2.98Å; T485-S487 PolarHBondContact O-N 2.66Å; T485-S487 PolarHBondContact OG1-OG 3.4Å
488	C	89.9	Confident	85.4	Confident	35 Å²	35	73.1 Å²	73.1	24%	0.236	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	126.4	172.1	-61.8	0	0	0	0	110.4	C475 L479 M480	C475-C488 WeakPolarHBondContact CA-SG 3.4Å; C475-C488 HydrophobicContact CB-CB 3.72Å; C475-C488 WeakPolarHBondContact CB-SG 3.42Å; C475-C488 WeakPolarHBondContact SG-CB 3.15Å; C475-C488 CovalentContact SG-SG 2.04Å; C475-C488 PolarHBondContact SG-SG 2.81Å; L479-C488 HydrophobicContact CB-CB 4.02Å; L479-C488 HydrophobicContact CD1-CB 4.06Å; M480-C488 CarbonylContact O-C 3.41Å; M480-C488 WeakPolarHBondContact O-CA 3.14Å
489	D	88.8	Confident	83.8	Confident	25 Å²	25	78.7 Å²	78.7	13%	0.134	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	168.3	-174.5	-154.2	-16	0	0	0	110.6	L479 M480 N482 N493 V494	L479-D489 CarbonylContact C-O 3.48Å; L479-D489 WeakPolarHBondContact CA-O 2.94Å; M480-D489 PolarHBondContact N-O 3.28Å; M480-D489 PolarHBondContact O-N 3.07Å; N482-D489 HydrophobicContact CB-CB 3.88Å; N482-D489 PolarHBondContact ND2-OD2 3.37Å; D489-N493 HydrophobicContact CB-CB 4.4Å; D489-N493 PolarHBondContact OD1-ND2 3.09Å; D489-N493 VanDerWaalsContact OD2-CB 3.32Å; D489-N493 WeakPolarHBondContact OD2-CB 3.35Å; D489-N493 PolarHBondContact OD2-ND2 3.47Å; D489-V494 HydrophobicContact CB-CG2 4.12Å
490	Y	88.9	Confident	81.4	Confident	158 Å²	158	84.1 Å²	84.1	62%	0.62	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	146.1	174.5	-69.6	-75.1	0	0	0	110.6	L479 S492 N493	L479-Y490 HydrophobicContact CD2-CD1 3.76Å; L479-Y490 HydrophobicContact CD2-CE1 3.86Å; L479-Y490 HydrophobicContact CD2-CG 4.17Å; Y490-S492 PolarHBondContact O-N 2.03Å; Y490-N493 PolarHBondContact O-N 2.84Å
491	S	87.5	Confident	78.8	Confident	70 Å²	70	88.6 Å²	88.6	49%	0.49	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-54.9	-26.3	-179.5	56.7	0	0	0	0	113.7	N493 V494	S491-N493 PolarHBondContact O-N 3.23Å; S491-V494 PolarHBondContact O-N 3.03Å
492	S	87.6	Confident	75.9	Confident	101 Å²	101	97 Å²	97	71%	0.706	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-64	-21.6	174.2	59.5	0	0	0	0	114.4	Y490	Y490-S492 PolarHBondContact O-N 2.03Å
493	N	86	Confident	75.1	Confident	87 Å²	87	101.4 Å²	101.4	47%	0.465	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-103.3	-2	-176.8	-61.7	-22.3	0	0	0	112.7	N482 D489 Y490 S491	N482-N493 PolarHBondContact ND2-O 3.46Å; D489-N493 HydrophobicContact CB-CB 4.4Å; D489-N493 PolarHBondContact OD1-ND2 3.09Å; D489-N493 VanDerWaalsContact OD2-CB 3.32Å; D489-N493 WeakPolarHBondContact OD2-CB 3.35Å; D489-N493 PolarHBondContact OD2-ND2 3.47Å; Y490-N493 PolarHBondContact O-N 2.84Å; S491-N493 PolarHBondContact O-N 3.23Å
494	V	86.7	Confident	74.4	Confident	14 Å²	14	103 Å²	103	9%	0.085	56%	0.557	C	S	.	*			trans	-116.2	120.2	-176	-173.6	0	0	0	0	109.7	M480 F481 N482 D489 S491 C496	M480-V494 HydrophobicContact CB-CB 4.1Å; M480-V494 HydrophobicContact CB-CG1 4.15Å; M480-V494 HydrophobicContact CB-CG2 3.91Å; F481-V494 WeakPolarHBondContact O-CG1 2.93Å; N482-V494 HydrophobicContact CB-CG2 3.8Å; D489-V494 HydrophobicContact CB-CG2 4.12Å; S491-V494 PolarHBondContact O-N 3.03Å; V494-C496 VanDerWaalsContact C-N 3.31Å; V494-C496 HydrophobicContact CG1-CB 4.29Å; V494-C496 PolarHBondContact O-N 2.8Å
495	D	81.8	Confident	73.6	Confident	125 Å²	125	98.4 Å²	98.4	67%	0.668	54%	0.544	S	S	*	.			trans	-79.3	86.4	169.1	-170.3	1.4	0	0	0	108.9
496	C	79.2	Confident	72.7	Confident	37 Å²	37	99.6 Å²	99.6	25%	0.25	55%	0.548	C	S	.	.			trans	-94.1	100.1	-177.9	169.9	0	0	0	0	110	C459 M480 V494 E498	C459-C496 HydrophobicContact CB-CB 3.8Å; C459-C496 WeakPolarHBondContact CB-SG 3.4Å; C459-C496 WeakPolarHBondContact SG-CB 3.19Å; C459-C496 CovalentContact SG-SG 2Å; C459-C496 PolarHBondContact SG-SG 3.35Å; M480-C496 HydrophobicContact SD-CB 3.94Å; V494-C496 VanDerWaalsContact C-N 3.31Å; V494-C496 HydrophobicContact CG1-CB 4.29Å; V494-C496 PolarHBondContact O-N 2.8Å; C496-E498 PolarHBondContact O-N 3.47Å
497	Q	64.1	Low	71.6	Confident	162 Å²	162	102.1 Å²	102.1	76%	0.757	56%	0.555	S	S	*	*			trans	-94	77.5	170.7	-61.7	-85.9	-34.7	0	0	108.1	K499	Q497-K499 PolarHBondContact O-N 3.5Å
498	E	57.6	Low	70.3	Confident	112 Å²	112	105.6 Å²	105.6	52%	0.523	57%	0.569	S	S	.	*			trans	-57.3	112.2	170.4	-83.6	-179.9	-176.9	0	0	108.2	C496 N500	C496-E498 PolarHBondContact O-N 3.47Å; E498-N500 VanDerWaalsContact C-N 3.3Å; E498-N500 PolarHBondContact O-N 3.25Å
499	K	50.2	Low	68.9	Low	179 Å²	179	110.6 Å²	110.6	78%	0.778	59%	0.593	S	S	*	*			trans	-66.5	99.4	167.2	-78.7	-174.2	178.3	179.1	0	106.4	Q497 I501	Q497-K499 PolarHBondContact O-N 3.5Å; K499-I501 VanDerWaalsContact C-N 3.27Å; K499-I501 PolarHBondContact O-N 3.36Å
500	N	37.2	Very low	67.4	Low	153 Å²	153	117.2 Å²	117.2	82%	0.818	63%	0.628	S	S	*	*			trans	-55.8	93.2	165.7	-80.4	-36.7	0	0	0	108.6	E498 S502	E498-N500 VanDerWaalsContact C-N 3.3Å; E498-N500 PolarHBondContact O-N 3.25Å; N500-S502 PolarHBondContact O-N 2.9Å
501	I	38	Very low	65.6	Low	145 Å²	145	113.8 Å²	113.8	74%	0.744	63%	0.629	S	S	*	*			trans	-87.2	102.4	163.2	-58.7	176.6	0	0	0	104.8	K499	K499-I501 VanDerWaalsContact C-N 3.27Å; K499-I501 PolarHBondContact O-N 3.36Å
502	S	31.5	Very low	63.6	Low	181 Å²	181	117.8 Å²	117.8	100%	1.266	64%	0.642	S	S	*	*			trans	-58.7	0	171.9	59.6	0	0	0	0	113	N500	N500-S502 PolarHBondContact O-N 2.9Å

Retrieved 502 of 502 residues in 183.7 ms (Link to these results)

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