A0A087Y4G6_POEFO Loading...

Purple acid phosphatase

AlphaFold DB , UniProt , Accession A0A087Y4G6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 466 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	33.9	Very low	30.2	Very low	241 Å²	241	155.9 Å²	155.9	100%	1.187	80%	0.802	S	S	*	*				0	120.5	0	-74.9	165.9	88.3	0	0	106.6
2	S	29.3	Very low	30.1	Very low	125 Å²	125	154.8 Å²	154.8	87%	0.874	80%	0.796	S	S	*	*			trans	53.2	107.4	175.5	-54.8	0	0	0	0	119.2
3	P	41.4	Very low	30	Very low	104 Å²	104	161.8 Å²	161.8	68%	0.675	81%	0.806	S	S	*	*			trans	-96.5	148.3	179.1	36.6	-29.6	0	0	0	113.6	F5	P3-F5 HydrophobicContact CG-CE2 4.07Å
4	L	33.5	Very low	29.8	Very low	162 Å²	162	167.6 Å²	167.6	85%	0.848	81%	0.814	S	S	*	*			trans	-66	130.8	164.8	-136.5	79.7	0	0	0	109.5
5	F	30.2	Very low	29.8	Very low	168 Å²	168	168 Å²	168	74%	0.737	81%	0.814	S	S	*	*			trans	-108.8	111	170.1	-89.1	-83.9	0	0	0	110.5	P3	P3-F5 HydrophobicContact CG-CE2 4.07Å
6	I	28.2	Very low	29.9	Very low	136 Å²	136	167.1 Å²	167.1	70%	0.697	81%	0.813	S	S	*	*			trans	-96.7	122.4	165.8	-64.1	172.4	0	0	0	106.7	V8	I6-V8 HydrophobicContact CG2-CG2 4.26Å
7	F	27.4	Very low	30.1	Very low	174 Å²	174	165.9 Å²	165.9	76%	0.763	81%	0.812	S	S	*	*			trans	-91	115.7	172.4	-88.8	-86.9	0	0	0	110.4
8	V	27.1	Very low	30	Very low	116 Å²	116	160.9 Å²	160.9	70%	0.703	81%	0.81	S	S	*	*			trans	-105.5	120	166.3	178.1	0	0	0	0	107.8	I6 V10	I6-V8 HydrophobicContact CG2-CG2 4.26Å; V8-V10 HydrophobicContact CG1-CG2 4.25Å
9	F	26.6	Very low	30	Very low	182 Å²	182	165.8 Å²	165.8	80%	0.798	82%	0.818	S	S	*	*			trans	-83.1	115.8	171.5	-87	-86	0	0	0	110.1
10	V	27.1	Very low	30.1	Very low	112 Å²	112	166.7 Å²	166.7	68%	0.679	82%	0.822	S	S	*	*			trans	-104.3	115.4	168.7	179.1	0	0	0	0	108.5	V8 I12	V8-V10 HydrophobicContact CG1-CG2 4.25Å; V10-I12 HydrophobicContact CG1-CG1 4.05Å
11	F	27.4	Very low	30	Very low	195 Å²	195	165.8 Å²	165.8	86%	0.855	83%	0.826	S	S	*	*			trans	-83.8	114.2	168.5	-95.4	-87.7	0	0	0	109.9
12	I	28.6	Very low	29.8	Very low	143 Å²	143	159.1 Å²	159.1	73%	0.733	80%	0.802	S	S	*	*			trans	-99.7	108.2	167.5	-61.3	-179.4	0	0	0	108.6	V10	V10-I12 HydrophobicContact CG1-CG1 4.05Å
13	R	28.7	Very low	29.9	Very low	246 Å²	246	158.5 Å²	158.5	93%	0.928	79%	0.793	S	S	*	*			trans	-79.7	122.6	163.4	-96	-176.3	173	-176.9	-0.5	109.1
14	R	27.9	Very low	29.4	Very low	243 Å²	243	162.1 Å²	162.1	92%	0.917	80%	0.798	S	S	*	*			trans	-122.2	116.1	158.9	-113.3	-176.1	176	-167.1	-0.6	108.6
15	Q	30	Very low	29.7	Very low	173 Å²	173	160.7 Å²	160.7	81%	0.808	80%	0.796	S	S	*	*			trans	-87.9	144.8	164.3	-98.7	-164.6	-22.2	0	0	109.3
16	L	31.4	Very low	29.7	Very low	154 Å²	154	157.7 Å²	157.7	81%	0.806	80%	0.803	S	S	*	*				-173.9	113.1	123.2	-94.3	162.9	0	0	0	111.7
17	N	32.3	Very low	30.1	Very low	147 Å²	147	156.6 Å²	156.6	79%	0.786	81%	0.807	S	S	*	*			trans	41.1	124.2	141	-65.2	-13.7	0	0	0	123.5
18	G	29.3	Very low	30.5	Very low	76 Å²	76	154.2 Å²	154.2	78%	0.784	81%	0.807	S	S	*	*			trans	159.9	80.7	144.5	0	0	0	0	0	119.9
19	R	29.1	Very low	30.9	Very low	254 Å²	254	156 Å²	156	96%	0.958	81%	0.811	S	S	*	*			trans	75.7	130.2	155.3	-77.9	-178.5	170.8	177.6	-2.8	121.9
20	M	32.3	Very low	31.3	Very low	182 Å²	182	155.3 Å²	155.3	90%	0.897	82%	0.815	S	S	*	*			trans	-70	149.8	-178.8	-66.7	169.7	-80.7	0	0	114.8
21	V	29.1	Very low	31.8	Very low	149 Å²	149	154.9 Å²	154.9	90%	0.903	82%	0.817	S	S	*	*				-157.8	146.5	115.7	174.5	0	0	0	0	109.5
22	S	29.6	Very low	32.3	Very low	100 Å²	100	156 Å²	156	70%	0.699	82%	0.822	S	S	*	*			trans	-84.4	163.3	-172.8	178.1	0	0	0	0	114.6
23	V	31.6	Very low	32.8	Very low	112 Å²	112	153.1 Å²	153.1	68%	0.679	82%	0.82	S	S	*	*			trans	132.3	107.2	134	179.9	0	0	0	0	114.3
24	K	30.1	Very low	33.4	Very low	180 Å²	180	146.2 Å²	146.2	78%	0.783	81%	0.807	S	S	*	*			trans	57.9	129.7	139.9	-65.7	178.2	179.4	-177.1	0	121.6
25	T	39.9	Very low	34	Very low	132 Å²	132	142.5 Å²	142.5	81%	0.81	80%	0.804	S	S	*	*			trans	63.3	102.1	140.4	53.8	0	0	0	0	118.1
26	A	31	Very low	34.5	Very low	105 Å²	105	140.5 Å²	140.5	87%	0.868	80%	0.799	S	S	*	*			trans	-150.9	88.8	144.2	0	0	0	0	0	108.2
27	S	34.9	Very low	35.1	Very low	114 Å²	114	138.7 Å²	138.7	80%	0.797	79%	0.794	S	S	*	*			trans	-71	156.3	156.6	-61.7	0	0	0	0	108.6
28	V	35.6	Very low	35.6	Very low	124 Å²	124	138.6 Å²	138.6	75%	0.752	79%	0.792	S	S	*	*			trans	108.8	122.1	149.4	-168.4	0	0	0	0	115.9
29	L	37.3	Very low	36.7	Very low	152 Å²	152	139.6 Å²	139.6	80%	0.796	79%	0.787	S	S	*	*			trans	80	94.9	158.7	-74.4	152.7	0	0	0	118.1
30	L	33.2	Very low	37.8	Very low	168 Å²	168	133.2 Å²	133.2	88%	0.88	78%	0.776	S	S	*	*	S	Bend		-155	122.4	124	-104.5	135.7	0	0	0	112.2
31	S	37.6	Very low	38.9	Very low	104 Å²	104	129.1 Å²	129.1	73%	0.727	76%	0.763	S	S	*	*			trans	65	85.3	159.1	57.2	0	0	0	0	119.4	A33	S31-A33 PolarHBondContact O-N 3.27Å
32	F	38.3	Very low	40.6	Very low	218 Å²	218	125.8 Å²	125.8	96%	0.956	74%	0.744	S	S	*	*			trans	-62.6	103.8	140.2	-84.3	-98.6	0	0	0	108.8
33	A	38.9	Very low	42.8	Very low	82 Å²	82	125.7 Å²	125.7	68%	0.678	74%	0.735	S	S	*	*			trans	-105.5	113.8	152	0	0	0	0	0	105.8	S31 L35	S31-A33 PolarHBondContact O-N 3.27Å; A33-L35 PolarHBondContact O-N 3.14Å; A33-L35 VanDerWaalsContact O-N 3.14Å
34	P	41.5	Very low	45.4	Very low	102 Å²	102	126.7 Å²	126.7	66%	0.662	73%	0.727	S	S	*	*			trans	-66.9	116.8	169.7	27	-26.9	0	0	0	106.4	L36	P34-L36 HydrophobicContact CB-CD1 4.44Å; P34-L36 HydrophobicContact CG-CD1 4.31Å; P34-L36 PolarHBondContact O-N 2.82Å
35	L	41.4	Very low	48.5	Very low	165 Å²	165	118.6 Å²	118.6	86%	0.864	69%	0.693	S	S	*	*			trans	-62.2	88.3	154.1	-97.1	117	0	0	0	105.9	A33 V37	A33-L35 PolarHBondContact O-N 3.14Å; A33-L35 VanDerWaalsContact O-N 3.14Å; L35-V37 PolarHBondContact O-N 2.97Å
36	L	39.9	Very low	51.1	Low	131 Å²	131	116 Å²	116	69%	0.686	67%	0.671	S	S	*	*			trans	-64.9	87.2	156	-104.4	112.6	0	0	0	105.7	P34 L38	P34-L36 HydrophobicContact CB-CD1 4.44Å; P34-L36 HydrophobicContact CG-CD1 4.31Å; P34-L36 PolarHBondContact O-N 2.82Å; L36-L38 HydrophobicContact CD2-CD2 4.16Å; L36-L38 HydrophobicContact CD2-CG 4.29Å; L36-L38 PolarHBondContact O-N 2.89Å
37	V	44.4	Very low	54.3	Low	116 Å²	116	111.4 Å²	111.4	70%	0.703	63%	0.633	S	S	*	*			trans	-65.3	94.4	151	-178.1	0	0	0	0	103.7	L35 S39	L35-V37 PolarHBondContact O-N 2.97Å; V37-S39 PolarHBondContact O-N 2.81Å
38	L	42.3	Very low	57.4	Low	144 Å²	144	108 Å²	108	75%	0.754	60%	0.604	S	S	*	*			trans	-61.7	89.7	163.3	-79.5	159.5	0	0	0	105.4	L36 V40	L36-L38 HydrophobicContact CD2-CD2 4.16Å; L36-L38 HydrophobicContact CD2-CG 4.29Å; L36-L38 PolarHBondContact O-N 2.89Å; L38-V40 PolarHBondContact O-N 3Å
39	S	51.6	Low	60.4	Low	97 Å²	97	102.1 Å²	102.1	68%	0.678	57%	0.568	S	S	*	*			trans	-58.2	109.9	165.2	53.5	0	0	0	0	105.5	V37 P41	V37-S39 PolarHBondContact O-N 2.81Å; S39-P41 VanDerWaalsContact O-N 3.14Å
40	V	53.1	Low	63.3	Low	120 Å²	120	94.9 Å²	94.9	73%	0.727	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-50.8	123.9	165.3	-178.5	0	0	0	0	105.3	L38	L38-V40 PolarHBondContact O-N 3Å
41	P	56	Low	66.4	Low	96 Å²	96	87 Å²	87	62%	0.623	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-54.9	139.6	-180	21.8	-31.2	0	0	0	108.3	S39 I43	S39-P41 VanDerWaalsContact O-N 3.14Å; P41-I43 PolarHBondContact O-N 3.39Å; P41-I43 VanDerWaalsContact O-N 3.17Å
42	P	65.1	Low	69.3	Low	79 Å²	79	82 Å²	82	51%	0.513	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-51.9	128.4	179.3	-11.2	13.4	0	0	0	109.3	W44	P42-W44 VanDerWaalsContact C-N 3.35Å; P42-W44 HydrophobicContact CB-CD2 4.19Å; P42-W44 HydrophobicContact CB-CE3 4.48Å; P42-W44 HydrophobicContact CB-CH2 4.4Å; P42-W44 HydrophobicContact CB-CZ2 4.06Å; P42-W44 HydrophobicContact CG-CH2 4.15Å; P42-W44 HydrophobicContact CG-CZ2 3.69Å; P42-W44 PolarHBondContact O-N 3.17Å; P42-W44 PolarHBondContact O-NE1 3.04Å
43	I	75.7	Confident	72.2	Confident	99 Å²	99	71.7 Å²	71.7	51%	0.508	41%	0.409	S	S	.	.			trans	-74.2	97.3	170.4	-62.2	174.2	0	0	0	105.3	P41 T45 Q46	P41-I43 PolarHBondContact O-N 3.39Å; P41-I43 VanDerWaalsContact O-N 3.17Å; I43-T45 WeakPolarHBondContact CG2-OG1 3.11Å; I43-T45 PolarHBondContact O-N 3.47Å; I43-T45 VanDerWaalsContact O-N 3.12Å; I43-Q46 HydrophobicContact CB-CB 4.37Å; I43-Q46 HydrophobicContact CG2-CB 4.41Å; I43-Q46 WeakPolarHBondContact O-CB 3.11Å; I43-Q46 PolarHBondContact O-N 3.12Å
44	W	86.3	Confident	75	Confident	132 Å²	132	68.3 Å²	68.3	50%	0.5	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-6.7	-175.2	-62.1	105.1	0	0	0	114	P42 F68 N69	P42-W44 VanDerWaalsContact C-N 3.35Å; P42-W44 HydrophobicContact CB-CD2 4.19Å; P42-W44 HydrophobicContact CB-CE3 4.48Å; P42-W44 HydrophobicContact CB-CH2 4.4Å; P42-W44 HydrophobicContact CB-CZ2 4.06Å; P42-W44 HydrophobicContact CG-CH2 4.15Å; P42-W44 HydrophobicContact CG-CZ2 3.69Å; P42-W44 PolarHBondContact O-N 3.17Å; P42-W44 PolarHBondContact O-NE1 3.04Å; W44-F68 HydrophobicContact CB-CB 4.17Å; W44-F68 HydrophobicContact CD2-CB 4.46Å; W44-F68 HydrophobicContact CE3-CB 3.76Å; W44-F68 AromaticContact CE3-CD2 4Å; W44-F68 HydrophobicContact CE3-CD2 4Å; W44-F68 HydrophobicContact CE3-CG 4.03Å; W44-F68 HydrophobicContact CZ3-CD2 4.39Å; W44-F68 HydrophobicContact CZ3-CG 4.47Å; W44-F68 PolarHBondContact O-N 2.85Å; W44-N69 HydrophobicContact CB-CB 4.1Å; W44-N69 PolarHBondContact O-N 3.28Å; W44-N69 VanDerWaalsContact O-N 3.08Å
45	T	93.7	Very high	77.6	Confident	10 Å²	10	64.9 Å²	64.9	6%	0.061	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.8	170.3	49	0	0	0	0	113	I43 P47 T67 N69 T71 E130	I43-T45 WeakPolarHBondContact CG2-OG1 3.11Å; I43-T45 PolarHBondContact O-N 3.47Å; I43-T45 VanDerWaalsContact O-N 3.12Å; T45-P47 VanDerWaalsContact O-CD 3.29Å; T45-P47 WeakPolarHBondContact O-CD 3.45Å; T45-T67 WeakPolarHBondContact O-CG2 3.34Å; T45-N69 HydrophobicContact CG2-CB 3.76Å; T45-T71 HydrophobicContact CG2-CG2 4.4Å; T45-E130 HydrophobicContact CG2-CB 4.22Å; T45-E130 PolarHBondContact OG1-O 2.57Å; T45-E130 VanDerWaalsContact OG1-O 3.07Å
46	Q	96.2	Very high	80.1	Confident	78 Å²	78	58.9 Å²	58.9	36%	0.364	34%	0.335	S	S	.	.	S	Bend	trans	-66.1	122.2	177.5	-177.5	61.8	40.6	0	0	110	I43 W132	I43-Q46 HydrophobicContact CB-CB 4.37Å; I43-Q46 HydrophobicContact CG2-CB 4.41Å; I43-Q46 WeakPolarHBondContact O-CB 3.11Å; I43-Q46 PolarHBondContact O-N 3.12Å; Q46-W132 PolarHBondContact NE2-O 2.93Å
47	P	98.3	Very high	82.8	Confident	9 Å²	9	57 Å²	57	6%	0.058	33%	0.328	C	S	.	.			trans	-63.6	135.2	177.2	-27.9	39.2	0	0	0	112.7	T45 W65 C126 G131	T45-P47 VanDerWaalsContact O-CD 3.29Å; T45-P47 WeakPolarHBondContact O-CD 3.45Å; P47-W65 HydrophobicContact CB-CG 4.1Å; P47-C126 WeakPolarHBondContact CG-O 3.47Å; P47-G131 WeakPolarHBondContact CD-O 3.46Å
48	E	98.2	Very high	85.1	Confident	42 Å²	42	57.1 Å²	57.1	20%	0.196	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	177.4	168.3	58	166.7	-130.1	0	0	110.4	V50 T66 F68 R203	E48-V50 PolarHBondContact O-N 2.95Å; E48-T66 PolarHBondContact N-O 2.72Å; E48-T66 VanDerWaalsContact N-O 3.15Å; E48-T66 PolarHBondContact O-N 2.96Å; E48-F68 HydrophobicContact CG-CE2 4.35Å; E48-F68 WeakPolarHBondContact OE1-CE2 3.29Å; E48-R203 IonicContact OE1-CZ 3.49Å; E48-R203 IonicContact OE1-NH1 3.5Å; E48-R203 PolarHBondContact OE1-NH1 3.03Å; E48-R203 IonicContact OE2-NH1 3.52Å
49	Q	98.6	Very high	87.7	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	60.3	32.7	177.5	-54.7	174.7	33.5	0	0	112.5	H51 T66 D199 M202 R203	Q49-H51 PolarHBondContact O-N 3.12Å; Q49-H51 PolarHBondContact O-ND1 3.11Å; Q49-T66 PolarHBondContact OE1-OG1 3.11Å; Q49-T66 VanDerWaalsContact OE1-OG1 3.1Å; Q49-D199 PolarHBondContact NE2-OD1 3.17Å; Q49-M202 HydrophobicContact CB-CB 3.72Å; Q49-M202 HydrophobicContact CG-CB 3.58Å; Q49-R203 HydrophobicContact CG-CG 4Å
50	V	98.9	Very high	89.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	126.4	-176.3	-175.6	0	0	0	0	109.7	E48 V63 T64 W65 Y124 F136 Q206 A210	E48-V50 PolarHBondContact O-N 2.95Å; V50-V63 HydrophobicContact CG1-CG1 4.17Å; V50-T64 WeakPolarHBondContact CA-O 3.19Å; V50-W65 HydrophobicContact CG2-CB 3.96Å; V50-Y124 HydrophobicContact CG1-CE2 4.18Å; V50-Y124 WeakPolarHBondContact CG1-OH 3.43Å; V50-F136 HydrophobicContact CB-CE2 3.96Å; V50-F136 HydrophobicContact CB-CZ 4.36Å; V50-F136 HydrophobicContact CG1-CD2 4.13Å; V50-F136 HydrophobicContact CG1-CE2 4.01Å; V50-F136 HydrophobicContact CG2-CE2 3.83Å; V50-F136 HydrophobicContact CG2-CZ 4.34Å; V50-Q206 HydrophobicContact CB-CG 4.16Å; V50-Q206 WeakPolarHBondContact O-CG 3.31Å; V50-A210 HydrophobicContact CB-CB 4.28Å; V50-A210 HydrophobicContact CG1-CB 4.13Å
51	H	98.9	Very high	92	Very high	3 Å²	3	41 Å²	41	1%	0.014	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	151.9	177	60.5	-78	0	0	0	112.1	Q49 T64 M202 A209 R233	Q49-H51 PolarHBondContact O-N 3.12Å; Q49-H51 PolarHBondContact O-ND1 3.11Å; H51-T64 VanDerWaalsContact CE1-CB 3.48Å; H51-T64 WeakPolarHBondContact CE1-CB 3.41Å; H51-T64 WeakPolarHBondContact CE1-CG2 3.22Å; H51-T64 PolarHBondContact N-O 3.49Å; H51-T64 WeakPolarHBondContact NE2-CB 3.42Å; H51-T64 PolarHBondContact O-N 3.07Å; H51-M202 WeakPolarHBondContact ND1-CE 3.29Å; H51-A209 CarbonylContact C-O 3.6Å; H51-A209 WeakPolarHBondContact CA-O 3.47Å; H51-A209 HydrophobicContact CB-CB 3.5Å; H51-R233 PolarHBondContact CE1-O 3.33Å; H51-R233 PolarHBondContact NE2-O 3.41Å
52	L	98.9	Very high	94.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	146.8	-177.2	-61.4	176.4	0	0	0	110.6	M61 V62 V63 Y124 F138 A209 A210 Y214	L52-M61 HydrophobicContact CB-CG 4.4Å; L52-M61 HydrophobicContact CB-SD 3.97Å; L52-M61 HydrophobicContact CD2-CG 3.97Å; L52-V62 WeakPolarHBondContact CA-O 3.23Å; L52-V63 HydrophobicContact CD2-CB 4.31Å; L52-V63 HydrophobicContact CD2-CG1 4.39Å; L52-V63 HydrophobicContact CD2-CG2 3.77Å; L52-Y124 HydrophobicContact CD1-CE1 4.44Å; L52-Y124 HydrophobicContact CD2-CE1 4.37Å; L52-F138 HydrophobicContact CD1-CB 3.4Å; L52-F138 VanDerWaalsContact CD1-CB 3.4Å; L52-F138 HydrophobicContact CD1-CD1 4.14Å; L52-F138 HydrophobicContact CD1-CG 3.83Å; L52-A209 WeakPolarHBondContact CB-O 3.48Å; L52-A209 WeakPolarHBondContact CG-O 3.24Å; L52-A209 PolarHBondContact N-O 2.71Å; L52-A210 WeakPolarHBondContact CD1-O 3.4Å; L52-Y214 PolarHBondContact O-N 3.05Å
53	S	98.6	Very high	95.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151.4	167.2	62.7	0	0	0	0	111	V62 S235	S53-V62 PolarHBondContact N-O 3.31Å; S53-V62 VanDerWaalsContact N-O 3.07Å; S53-V62 PolarHBondContact O-N 3.29Å; S53-S235 WeakPolarHBondContact CB-O 3.39Å; S53-S235 PolarHBondContact OG-O 2.88Å
54	Y	97.9	Very high	96.8	Very high	12 Å²	12	28.4 Å²	28.4	5%	0.047	16%	0.156	C	C	.	.			trans	-86.1	124.1	173.9	178.8	-124.3	0	0	0	109.4	G56 V57 L58 L141 M215 P237 W247	Y54-G56 VanDerWaalsContact C-N 3.28Å; Y54-G56 VanDerWaalsContact CE1-CA 3.46Å; Y54-G56 PolarHBondContact O-N 3.46Å; Y54-V57 WeakPolarHBondContact CE2-O 3.19Å; Y54-V57 VanDerWaalsContact OH-C 3.3Å; Y54-L58 PolarHBondContact OH-N 2.92Å; Y54-L141 HydrophobicContact CD1-CD1 4.04Å; Y54-L141 HydrophobicContact CD2-CD1 3.62Å; Y54-L141 HydrophobicContact CE1-CD1 4.46Å; Y54-L141 HydrophobicContact CE2-CD1 4.1Å; Y54-L141 HydrophobicContact CG-CD1 3.58Å; Y54-M215 PolarHBondContact N-SD 2.97Å; Y54-M215 VanDerWaalsContact N-SD 3.41Å; Y54-M215 WeakPolarHBondContact O-CE 3.35Å; Y54-P237 VanDerWaalsContact O-CD 3.24Å; Y54-P237 WeakPolarHBondContact O-CD 3Å; Y54-P237 WeakPolarHBondContact O-CG 3.07Å; Y54-W247 HydrophobicContact CD1-CB 4.32Å; Y54-W247 HydrophobicContact CD1-CG 4.22Å; Y54-W247 HydrophobicContact CE1-CB 4.35Å
55	P	96.4	Very high	97.4	Very high	30 Å²	30	22.1 Å²	22.1	20%	0.195	13%	0.132	C	C	.	.			trans	-86.7	10.7	-176.8	34.9	-36.9	0	0	0	114.1	V57 S60 V62 T112	P55-V57 VanDerWaalsContact C-N 3.33Å; P55-S60 WeakPolarHBondContact CG-OG 3.28Å; P55-V62 HydrophobicContact CB-CG2 3.68Å; P55-V62 HydrophobicContact CG-CG2 3.9Å; P55-T112 HydrophobicContact CG-CG2 4.46Å
56	G	93.9	Very high	97.6	Very high	39 Å²	39	21.8 Å²	21.8	40%	0.402	13%	0.13	S	C	.	.	S	Bend	trans	82.2	7.6	-179	0	0	0	0	0	114.4	Y54	Y54-G56 VanDerWaalsContact C-N 3.28Å; Y54-G56 VanDerWaalsContact CE1-CA 3.46Å; Y54-G56 PolarHBondContact O-N 3.46Å
57	V	94.8	Very high	97.7	Very high	91 Å²	91	18 Å²	18	55%	0.552	11%	0.113	S	C	*	.	S	Bend	trans	-115.5	125.3	179.4	-179.1	0	0	0	0	110.1	Y54 P55 G59 S60	Y54-V57 WeakPolarHBondContact CE2-O 3.19Å; Y54-V57 VanDerWaalsContact OH-C 3.3Å; P55-V57 VanDerWaalsContact C-N 3.33Å; V57-G59 PolarHBondContact O-N 3.23Å; V57-S60 WeakPolarHBondContact O-CB 3.43Å; V57-S60 PolarHBondContact O-N 3.26Å; V57-S60 PolarHBondContact O-OG 2.92Å
58	L	93.4	Very high	97.6	Very high	119 Å²	119	19.3 Å²	19.3	62%	0.623	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	140.3	-178.7	-67.5	177.2	0	0	0	112.3	Y54 S60	Y54-L58 PolarHBondContact OH-N 2.92Å; L58-S60 VanDerWaalsContact C-N 3.27Å; L58-S60 PolarHBondContact O-N 2.87Å
59	G	96.4	Very high	97.5	Very high	15 Å²	15	21.3 Å²	21.3	16%	0.155	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	29.1	180	0	0	0	0	0	113.2	V57 T114 G115 L116	V57-G59 PolarHBondContact O-N 3.23Å; G59-T114 CarbonylContact O-C 3.56Å; G59-G115 PolarHBondContact O-N 3.07Å; G59-G115 VanDerWaalsContact O-N 3.08Å; G59-L116 WeakPolarHBondContact O-CB 3.09Å; G59-L116 WeakPolarHBondContact O-CG 3.28Å; G59-L116 PolarHBondContact O-N 2.82Å
60	S	97.8	Very high	97.4	Very high	7 Å²	7	29.1 Å²	29.1	5%	0.049	16%	0.163	C	C	.	.			trans	-134	158.6	176.1	74.9	0	0	0	0	113.1	P55 V57 L58 L113	P55-S60 WeakPolarHBondContact CG-OG 3.28Å; V57-S60 WeakPolarHBondContact O-CB 3.43Å; V57-S60 PolarHBondContact O-N 3.26Å; V57-S60 PolarHBondContact O-OG 2.92Å; L58-S60 VanDerWaalsContact C-N 3.27Å; L58-S60 PolarHBondContact O-N 2.87Å; S60-L113 CarbonylContact C-O 3.54Å; S60-L113 WeakPolarHBondContact CA-O 3.32Å; S60-L113 WeakPolarHBondContact CB-O 3.5Å
61	M	98.6	Very high	97.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	136.3	177.8	-172.9	65.2	71.5	0	0	108.4	L52 L113 L116 F138 P213	L52-M61 HydrophobicContact CB-CG 4.4Å; L52-M61 HydrophobicContact CB-SD 3.97Å; L52-M61 HydrophobicContact CD2-CG 3.97Å; M61-L113 PolarHBondContact N-O 3.42Å; M61-L113 VanDerWaalsContact N-O 3.08Å; M61-L113 PolarHBondContact O-N 2.92Å; M61-L116 HydrophobicContact CB-CD1 3.78Å; M61-F138 HydrophobicContact CB-CE2 3.93Å; M61-F138 HydrophobicContact CB-CZ 4.14Å; M61-F138 HydrophobicContact CE-CD2 3.9Å; M61-F138 HydrophobicContact CE-CE2 4.19Å; M61-F138 HydrophobicContact CG-CD2 4.24Å; M61-F138 HydrophobicContact CG-CE2 4Å; M61-F138 HydrophobicContact CG-CZ 4.27Å; M61-P213 HydrophobicContact CE-CB 4.13Å; M61-P213 HydrophobicContact CE-CG 4.1Å; M61-P213 HydrophobicContact SD-CB 4.04Å
62	V	98.7	Very high	97.3	Very high	10 Å²	10	35.3 Å²	35.3	6%	0.061	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.7	172.2	178.9	0	0	0	0	108.7	L52 S53 P55 V111 T112	L52-V62 WeakPolarHBondContact CA-O 3.23Å; S53-V62 PolarHBondContact N-O 3.31Å; S53-V62 VanDerWaalsContact N-O 3.07Å; S53-V62 PolarHBondContact O-N 3.29Å; P55-V62 HydrophobicContact CB-CG2 3.68Å; P55-V62 HydrophobicContact CG-CG2 3.9Å; V62-V111 WeakPolarHBondContact CA-O 3.47Å; V62-T112 HydrophobicContact CG2-CG2 4.32Å
63	V	98.9	Very high	97.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.8	167.8	-171.7	0	0	0	0	107.6	V50 L52 W65 V75 V111 L113 Y124 C126	V50-V63 HydrophobicContact CG1-CG1 4.17Å; L52-V63 HydrophobicContact CD2-CB 4.31Å; L52-V63 HydrophobicContact CD2-CG1 4.39Å; L52-V63 HydrophobicContact CD2-CG2 3.77Å; V63-W65 HydrophobicContact CG1-CE3 4.14Å; V63-W65 HydrophobicContact CG1-CZ3 4.37Å; V63-V75 HydrophobicContact CB-CG2 3.97Å; V63-V75 HydrophobicContact CG1-CG2 4.22Å; V63-V75 HydrophobicContact CG2-CG1 4.41Å; V63-V75 HydrophobicContact CG2-CG2 4.13Å; V63-V111 PolarHBondContact N-O 3.08Å; V63-V111 PolarHBondContact O-N 2.87Å; V63-L113 HydrophobicContact CG2-CD1 4.02Å; V63-L113 HydrophobicContact CG2-CG 4.21Å; V63-Y124 HydrophobicContact CG1-CD2 4.29Å; V63-Y124 HydrophobicContact CG1-CE2 3.61Å; V63-Y124 HydrophobicContact CG2-CD2 4.31Å; V63-Y124 HydrophobicContact CG2-CE2 4.12Å; V63-C126 HydrophobicContact CG1-CB 4.15Å
64	T	98.9	Very high	97.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.6	176.5	-53.4	0	0	0	0	109.8	V50 H51 I108 H109 R110 S235	V50-T64 WeakPolarHBondContact CA-O 3.19Å; H51-T64 VanDerWaalsContact CE1-CB 3.48Å; H51-T64 WeakPolarHBondContact CE1-CB 3.41Å; H51-T64 WeakPolarHBondContact CE1-CG2 3.22Å; H51-T64 PolarHBondContact N-O 3.49Å; H51-T64 WeakPolarHBondContact NE2-CB 3.42Å; H51-T64 PolarHBondContact O-N 3.07Å; T64-I108 HydrophobicContact CG2-CG2 3.72Å; T64-H109 VanDerWaalsContact CA-O 3.26Å; T64-H109 WeakPolarHBondContact CA-O 3.29Å; T64-H109 WeakPolarHBondContact CG2-O 3.36Å; T64-R110 HydrophobicContact CG2-CG 4.23Å; T64-S235 PolarHBondContact OG1-OG 2.89Å; T64-S235 VanDerWaalsContact OG1-OG 3.06Å
65	W	98.9	Very high	97.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	167.8	174.2	71.6	93.1	0	0	0	111.7	P47 V50 V63 V75 H109 V111 C126	P47-W65 HydrophobicContact CB-CG 4.1Å; V50-W65 HydrophobicContact CG2-CB 3.96Å; V63-W65 HydrophobicContact CG1-CE3 4.14Å; V63-W65 HydrophobicContact CG1-CZ3 4.37Å; W65-V75 HydrophobicContact CH2-CG2 4.22Å; W65-V75 HydrophobicContact CZ3-CG2 3.9Å; W65-H109 AromaticContact CD1-CD2 3.72Å; W65-H109 HydrophobicContact CD2-CB 3.48Å; W65-H109 VanDerWaalsContact CD2-CB 3.48Å; W65-H109 AromaticContact CE2-CD2 3.98Å; W65-H109 AromaticContact CE2-CG 3.48Å; W65-H109 VanDerWaalsContact CE2-CG 3.48Å; W65-H109 HydrophobicContact CE3-CB 3.83Å; W65-H109 HydrophobicContact CG-CB 4.06Å; W65-H109 HydrophobicContact CH2-CB 3.81Å; W65-H109 HydrophobicContact CZ2-CB 3.43Å; W65-H109 VanDerWaalsContact CZ2-CB 3.43Å; W65-H109 AromaticContact CZ2-CG 3.74Å; W65-H109 AromaticContact CZ2-ND1 3.9Å; W65-H109 HydrophobicContact CZ3-CB 3.98Å; W65-H109 PolarHBondContact N-O 3.37Å; W65-H109 VanDerWaalsContact N-O 3.16Å; W65-H109 AromaticContact NE1-CD2 3.38Å; W65-H109 PolarHBondContact NE1-CD2 3.02Å; W65-H109 AromaticContact NE1-CG 3.37Å; W65-H109 AromaticContact NE1-ND1 3.94Å; W65-H109 AromaticContact NE1-NE2 3.99Å; W65-H109 PolarHBondContact O-N 3.35Å; W65-V111 HydrophobicContact CH2-CB 4.47Å; W65-V111 HydrophobicContact CH2-CG2 3.49Å; W65-V111 VanDerWaalsContact CH2-CG2 3.49Å; W65-V111 HydrophobicContact CZ3-CB 4.17Å; W65-V111 HydrophobicContact CZ3-CG2 3.63Å; W65-C126 HydrophobicContact CD2-CB 3.91Å; W65-C126 HydrophobicContact CE3-CB 3.65Å; W65-C126 HydrophobicContact CH2-CB 3.97Å; W65-C126 HydrophobicContact CZ2-CB 4.23Å; W65-C126 HydrophobicContact CZ3-CB 3.7Å
66	T	98.7	Very high	97.5	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	141.2	-180	-57.2	0	0	0	0	110.8	E48 Q49 F68 M106 F107 I108	E48-T66 PolarHBondContact N-O 2.72Å; E48-T66 VanDerWaalsContact N-O 3.15Å; E48-T66 PolarHBondContact O-N 2.96Å; Q49-T66 PolarHBondContact OE1-OG1 3.11Å; Q49-T66 VanDerWaalsContact OE1-OG1 3.1Å; T66-F68 HydrophobicContact CG2-CZ 4.46Å; T66-M106 HydrophobicContact CG2-CB 4.07Å; T66-M106 HydrophobicContact CG2-CG 4.24Å; T66-F107 WeakPolarHBondContact CA-O 3.29Å; T66-I108 HydrophobicContact CG2-CD1 4.03Å; T66-I108 WeakPolarHBondContact OG1-CD1 3.16Å
67	T	98.4	Very high	97.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	166	161.2	69	0	0	0	0	110.1	T45 N69 T71 F107 H109	T45-T67 WeakPolarHBondContact O-CG2 3.34Å; T67-N69 PolarHBondContact OG1-O 2.89Å; T67-T71 HydrophobicContact CG2-CG2 4.32Å; T67-F107 PolarHBondContact N-O 3.5Å; T67-F107 PolarHBondContact O-N 3.34Å; T67-H109 WeakPolarHBondContact CG2-NE2 3.33Å; T67-H109 PolarHBondContact OG1-NE2 2.92Å
68	F	96.8	Very high	97.8	Very high	35 Å²	35	32.8 Å²	32.8	15%	0.154	17%	0.166	C	C	.	.	S	Bend	trans	-108.4	-7.4	-178.7	-63.3	-78.2	0	0	0	113.4	W44 E48 T66 M106	W44-F68 HydrophobicContact CB-CB 4.17Å; W44-F68 HydrophobicContact CD2-CB 4.46Å; W44-F68 HydrophobicContact CE3-CB 3.76Å; W44-F68 AromaticContact CE3-CD2 4Å; W44-F68 HydrophobicContact CE3-CD2 4Å; W44-F68 HydrophobicContact CE3-CG 4.03Å; W44-F68 HydrophobicContact CZ3-CD2 4.39Å; W44-F68 HydrophobicContact CZ3-CG 4.47Å; W44-F68 PolarHBondContact O-N 2.85Å; E48-F68 HydrophobicContact CG-CE2 4.35Å; E48-F68 WeakPolarHBondContact OE1-CE2 3.29Å; T66-F68 HydrophobicContact CG2-CZ 4.46Å; F68-M106 HydrophobicContact CD1-CG 3.88Å; F68-M106 HydrophobicContact CE1-CG 3.6Å; F68-M106 HydrophobicContact CE1-SD 4.33Å
69	N	96.1	Very high	98.1	Very high	85 Å²	85	28.9 Å²	28.9	46%	0.455	15%	0.146	S	C	.	.	S	Bend	trans	-124.2	147	168	-85.8	4.7	0	0	0	109.9	W44 T45 T67 T71 F107	W44-N69 HydrophobicContact CB-CB 4.1Å; W44-N69 PolarHBondContact O-N 3.28Å; W44-N69 VanDerWaalsContact O-N 3.08Å; T45-N69 HydrophobicContact CG2-CB 3.76Å; T67-N69 PolarHBondContact OG1-O 2.89Å; N69-T71 PolarHBondContact O-N 3.04Å; N69-F107 VanDerWaalsContact C-CD2 3.43Å
70	K	96.3	Very high	98	Very high	164 Å²	164	34 Å²	34	71%	0.713	17%	0.165	S	C	*	.			trans	-59.8	130.2	176.4	-171.1	-179.2	177.4	-176.6	0	110	F107	K70-F107 HydrophobicContact CB-CD1 4.02Å; K70-F107 HydrophobicContact CB-CE1 3.48Å; K70-F107 VanDerWaalsContact CB-CE1 3.48Å; K70-F107 HydrophobicContact CB-CE2 4.3Å; K70-F107 HydrophobicContact CB-CZ 3.65Å; K70-F107 HydrophobicContact CD-CE1 4.46Å; K70-F107 HydrophobicContact CG-CD1 4.21Å; K70-F107 HydrophobicContact CG-CE1 3.88Å
71	T	97.4	Very high	97.8	Very high	10 Å²	10	37.7 Å²	37.7	6%	0.061	21%	0.205	C	C	.	.			trans	-151	177.4	169.3	-165.4	0	0	0	0	109.7	T45 T67 N69 H109 S128 E130	T45-T71 HydrophobicContact CG2-CG2 4.4Å; T67-T71 HydrophobicContact CG2-CG2 4.32Å; N69-T71 PolarHBondContact O-N 3.04Å; T71-H109 PolarHBondContact O-CE1 3.36Å; T71-S128 WeakPolarHBondContact OG1-CB 3.21Å; T71-S128 PolarHBondContact OG1-OG 2.83Å; T71-E130 WeakPolarHBondContact CB-OE1 3.44Å; T71-E130 PolarHBondContact OG1-OE1 3.23Å
72	D	97.9	Very high	97.5	Very high	123 Å²	123	39.9 Å²	39.9	66%	0.658	23%	0.227	S	C	*	.			trans	-72.3	154.9	178.7	-66.4	-26.7	0	0	0	112
73	S	98.7	Very high	97.2	Very high	10 Å²	10	48.8 Å²	48.8	7%	0.07	26%	0.26	C	S	.	.			trans	-105.4	93.5	178.6	-62.4	0	0	0	0	110.6	E90 G91 D92 H109	S73-E90 WeakPolarHBondContact O-CA 3.47Å; S73-G91 PolarHBondContact O-N 2.73Å; S73-D92 WeakPolarHBondContact CB-O 3.38Å; S73-D92 PolarHBondContact OG-O 3.47Å; S73-H109 PolarHBondContact OG-ND1 2.87Å
74	K	98.8	Very high	96.9	Very high	49 Å²	49	53.5 Å²	53.5	21%	0.213	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.3	178.5	-168.2	173.5	176.2	-151.6	0	111.8	E76 A89 C126 G127 W132	K74-E76 WeakPolarHBondContact CE-OE1 3.47Å; K74-E76 HydrophobicContact CG-CG 4.46Å; K74-E76 IonicContact NZ-OE1 3.36Å; K74-E76 PolarHBondContact NZ-OE1 2.89Å; K74-A89 WeakPolarHBondContact CA-O 3.35Å; K74-C126 CarbonylContact O-C 3.59Å; K74-C126 WeakPolarHBondContact O-CA 3.49Å; K74-G127 WeakPolarHBondContact CA-O 3.34Å; K74-G127 WeakPolarHBondContact CB-O 3.44Å; K74-G127 PolarHBondContact N-O 3.21Å; K74-G127 PolarHBondContact O-N 2.7Å; K74-W132 HydrophobicContact CB-CH2 4.11Å; K74-W132 HydrophobicContact CD-CH2 3.91Å; K74-W132 HydrophobicContact CG-CH2 4.05Å
75	V	98.9	Very high	96.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	130	166.8	176.8	0	0	0	0	108	V63 W65 Y77 S88 A89 V111 L113 Y124 H125 C126	V63-V75 HydrophobicContact CB-CG2 3.97Å; V63-V75 HydrophobicContact CG1-CG2 4.22Å; V63-V75 HydrophobicContact CG2-CG1 4.41Å; V63-V75 HydrophobicContact CG2-CG2 4.13Å; W65-V75 HydrophobicContact CH2-CG2 4.22Å; W65-V75 HydrophobicContact CZ3-CG2 3.9Å; V75-Y77 HydrophobicContact CG1-CD1 4.22Å; V75-S88 CarbonylContact O-C 3.56Å; V75-S88 WeakPolarHBondContact O-CA 3.42Å; V75-A89 PolarHBondContact N-O 2.8Å; V75-A89 PolarHBondContact O-N 2.87Å; V75-V111 HydrophobicContact CB-CB 4.45Å; V75-V111 HydrophobicContact CB-CG1 3.99Å; V75-V111 HydrophobicContact CG2-CB 3.6Å; V75-V111 HydrophobicContact CG2-CG1 3.69Å; V75-V111 HydrophobicContact CG2-CG2 3.95Å; V75-L113 HydrophobicContact CB-CD2 3.98Å; V75-L113 HydrophobicContact CG1-CD1 4.3Å; V75-L113 HydrophobicContact CG1-CD2 3.82Å; V75-Y124 HydrophobicContact CG1-CD2 4.15Å; V75-H125 WeakPolarHBondContact CA-O 3.38Å; V75-C126 HydrophobicContact CG2-CB 3.88Å
76	E	98.7	Very high	96.5	Very high	41 Å²	41	60.9 Å²	60.9	19%	0.192	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	137.2	167.1	-44.5	-179.4	144.1	0	0	109.2	K74 F85 M87 Y124 H125 W132	K74-E76 WeakPolarHBondContact CE-OE1 3.47Å; K74-E76 HydrophobicContact CG-CG 4.46Å; K74-E76 IonicContact NZ-OE1 3.36Å; K74-E76 PolarHBondContact NZ-OE1 2.89Å; E76-F85 HydrophobicContact CB-CB 3.81Å; E76-F85 HydrophobicContact CB-CD1 4.12Å; E76-F85 HydrophobicContact CB-CG 4.12Å; E76-F85 WeakPolarHBondContact O-CD1 3.33Å; E76-M87 WeakPolarHBondContact CA-O 3.34Å; E76-Y124 VanDerWaalsContact O-CA 3.29Å; E76-Y124 WeakPolarHBondContact O-CA 3.23Å; E76-H125 PolarHBondContact N-O 3.03Å; E76-H125 VanDerWaalsContact N-O 3.07Å; E76-H125 PolarHBondContact O-CD2 3.25Å; E76-H125 PolarHBondContact O-N 2.94Å; E76-H125 IonicContact OE2-CE1 3.63Å; E76-H125 IonicContact OE2-NE2 2.87Å; E76-H125 PolarHBondContact OE2-NE2 2.88Å; E76-W132 HydrophobicContact CG-CH2 3.78Å; E76-W132 HydrophobicContact CG-CZ3 4.07Å
77	Y	98.6	Very high	96.4	Very high	18 Å²	18	63.5 Å²	63.5	7%	0.071	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	160.8	-170.1	65.1	-72.7	0	0	0	111.6	V75 F85 E86 M87 A89 L113 L116 Y122 V123	V75-Y77 HydrophobicContact CG1-CD1 4.22Å; Y77-F85 CarbonylContact O-C 3.57Å; Y77-F85 WeakPolarHBondContact O-CA 3.39Å; Y77-E86 PolarHBondContact O-N 3.09Å; Y77-M87 HydrophobicContact CD1-CB 4Å; Y77-M87 HydrophobicContact CD2-CB 4.14Å; Y77-M87 HydrophobicContact CD2-CE 3.92Å; Y77-M87 HydrophobicContact CD2-SD 4.41Å; Y77-M87 HydrophobicContact CE1-CB 3.64Å; Y77-M87 HydrophobicContact CE2-CB 3.8Å; Y77-M87 HydrophobicContact CE2-CE 3.88Å; Y77-M87 HydrophobicContact CE2-CG 4.39Å; Y77-M87 HydrophobicContact CE2-SD 3.77Å; Y77-M87 HydrophobicContact CG-CB 4.23Å; Y77-M87 PolarHBondContact N-O 3.01Å; Y77-M87 WeakPolarHBondContact O-CB 3.47Å; Y77-M87 PolarHBondContact O-N 3.4Å; Y77-M87 VanDerWaalsContact O-O 3.14Å; Y77-A89 HydrophobicContact CE1-CB 4.2Å; Y77-L113 HydrophobicContact CD1-CD1 4.45Å; Y77-L113 HydrophobicContact CD1-CD2 3.93Å; Y77-L113 HydrophobicContact CD2-CD1 4.35Å; Y77-L113 HydrophobicContact CE1-CD2 3.74Å; Y77-L113 HydrophobicContact CG-CD1 4.28Å; Y77-L116 HydrophobicContact CD2-CD2 4.41Å; Y77-L116 HydrophobicContact CE2-CD2 3.9Å; Y77-Y122 AromaticContact CD2-CD1 3.72Å; Y77-Y122 HydrophobicContact CD2-CD1 3.72Å; Y77-Y122 HydrophobicContact CD2-CE1 4.1Å; Y77-Y122 HydrophobicContact CE2-CD1 4.31Å; Y77-Y122 HydrophobicContact CE2-CE1 4.23Å; Y77-V123 CarbonylContact C-O 3.31Å; Y77-V123 WeakPolarHBondContact CA-O 3.47Å
78	G	98.2	Very high	96.4	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	158.6	-179.7	0	0	0	0	0	111.1	Y122 V123	G78-Y122 CarbonylContact O-C 3.48Å; G78-Y122 VanDerWaalsContact O-CA 3.28Å; G78-Y122 WeakPolarHBondContact O-CA 3.38Å; G78-V123 PolarHBondContact N-O 2.8Å; G78-V123 PolarHBondContact O-N 3.33Å
79	L	97.8	Very high	96.5	Very high	38 Å²	38	66 Å²	66	20%	0.199	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	137.4	173.1	-75.4	167.2	0	0	0	110.2	G81 G82 K117 A120 Y122	L79-G81 PolarHBondContact O-N 3.21Å; L79-G82 WeakPolarHBondContact O-CA 3.29Å; L79-G82 PolarHBondContact O-N 3.12Å; L79-K117 HydrophobicContact CD1-CD 4.22Å; L79-A120 HydrophobicContact CD2-CB 3.75Å; L79-Y122 HydrophobicContact CD2-CD1 4.16Å; L79-Y122 HydrophobicContact CD2-CD2 4.46Å; L79-Y122 HydrophobicContact CD2-CE1 3.66Å; L79-Y122 HydrophobicContact CD2-CE2 3.95Å; L79-Y122 HydrophobicContact CG-CD1 4.44Å; L79-Y122 HydrophobicContact CG-CE1 3.95Å
80	Q	95.9	Very high	96.6	Very high	121 Å²	121	69.5 Å²	69.5	57%	0.565	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	130.8	175.9	-169	177.7	35	0	0	110.4	G82 T121 V123	Q80-G82 PolarHBondContact O-N 3.3Å; Q80-T121 HydrophobicContact CB-CG2 4.13Å; Q80-T121 WeakPolarHBondContact CB-O 3.48Å; Q80-T121 PolarHBondContact N-O 3.21Å; Q80-T121 VanDerWaalsContact OE1-CG2 3.26Å; Q80-V123 HydrophobicContact CB-CG2 4.24Å; Q80-V123 HydrophobicContact CG-CG2 4.21Å
81	G	92.9	Very high	96.7	Very high	86 Å²	86	63.4 Å²	63.4	89%	0.887	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-4.6	-174.1	0	0	0	0	0	115	L79	L79-G81 PolarHBondContact O-N 3.21Å
82	G	92.6	Very high	96.7	Very high	45 Å²	45	67.4 Å²	67.4	46%	0.464	37%	0.373	S	S	.	.	S	Bend	trans	-90.2	-162.1	171	0	0	0	0	0	113.1	L79 Q80 L84	L79-G82 WeakPolarHBondContact O-CA 3.29Å; L79-G82 PolarHBondContact O-N 3.12Å; Q80-G82 PolarHBondContact O-N 3.3Å; G82-L84 PolarHBondContact O-N 2.88Å
83	R	91.6	Very high	96.7	Very high	197 Å²	197	63.4 Å²	63.4	74%	0.743	36%	0.357	S	S	*	.			trans	-73.1	124.9	171	-178	177	177.7	175.6	-1.5	108.8	F85 E86	R83-F85 PolarHBondContact O-N 3.35Å; R83-E86 HydrophobicContact CB-CB 4.31Å; R83-E86 HydrophobicContact CG-CB 4.47Å
84	L	92.2	Very high	96.7	Very high	99 Å²	99	65.5 Å²	65.5	52%	0.518	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	135.8	175.5	-67.7	176.1	0	0	0	110.3	G82 E86 V123	G82-L84 PolarHBondContact O-N 2.88Å; L84-E86 VanDerWaalsContact C-N 3.28Å; L84-E86 PolarHBondContact O-N 3.02Å; L84-V123 HydrophobicContact CD2-CB 4.18Å; L84-V123 HydrophobicContact CD2-CG1 3.93Å
85	F	93.4	Very high	96.6	Very high	55 Å²	55	67 Å²	67	24%	0.241	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	37.6	171.7	-46.7	-42.3	0	0	0	113.9	E76 Y77 R83 M87 H125 I135	E76-F85 HydrophobicContact CB-CB 3.81Å; E76-F85 HydrophobicContact CB-CD1 4.12Å; E76-F85 HydrophobicContact CB-CG 4.12Å; E76-F85 WeakPolarHBondContact O-CD1 3.33Å; Y77-F85 CarbonylContact O-C 3.57Å; Y77-F85 WeakPolarHBondContact O-CA 3.39Å; R83-F85 PolarHBondContact O-N 3.35Å; F85-M87 VanDerWaalsContact C-N 3.29Å; F85-H125 AromaticContact CD1-CD2 3.84Å; F85-H125 AromaticContact CD2-NE2 3.96Å; F85-H125 HydrophobicContact CE1-CB 4.46Å; F85-H125 AromaticContact CE1-CD2 3.64Å; F85-H125 AromaticContact CG-NE2 3.98Å; F85-H125 HydrophobicContact CZ-CB 4.43Å; F85-H125 AromaticContact CZ-CD2 3.87Å; F85-H125 AromaticContact CZ-CG 3.89Å; F85-I135 HydrophobicContact CE2-CD1 4.29Å; F85-I135 HydrophobicContact CZ-CD1 3.89Å; F85-I135 HydrophobicContact CZ-CG1 4.02Å; F85-I135 HydrophobicContact CZ-CG2 4.33Å
86	E	95.9	Very high	96.6	Very high	100 Å²	100	67.2 Å²	67.2	47%	0.467	38%	0.383	S	S	.	.			trans	-73.7	-20.3	176	66.1	179.2	179	0	0	113.5	Y77 R83 L84	Y77-E86 PolarHBondContact O-N 3.09Å; R83-E86 HydrophobicContact CB-CB 4.31Å; R83-E86 HydrophobicContact CG-CB 4.47Å; L84-E86 VanDerWaalsContact C-N 3.28Å; L84-E86 PolarHBondContact O-N 3.02Å
87	M	97.9	Very high	96.5	Very high	58 Å²	58	68.2 Å²	68.2	29%	0.286	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	152.5	176.2	-69.1	164	-69.6	0	0	110.1	E76 Y77 F85 Y122	E76-M87 WeakPolarHBondContact CA-O 3.34Å; Y77-M87 HydrophobicContact CD1-CB 4Å; Y77-M87 HydrophobicContact CD2-CB 4.14Å; Y77-M87 HydrophobicContact CD2-CE 3.92Å; Y77-M87 HydrophobicContact CD2-SD 4.41Å; Y77-M87 HydrophobicContact CE1-CB 3.64Å; Y77-M87 HydrophobicContact CE2-CB 3.8Å; Y77-M87 HydrophobicContact CE2-CE 3.88Å; Y77-M87 HydrophobicContact CE2-CG 4.39Å; Y77-M87 HydrophobicContact CE2-SD 3.77Å; Y77-M87 HydrophobicContact CG-CB 4.23Å; Y77-M87 PolarHBondContact N-O 3.01Å; Y77-M87 WeakPolarHBondContact O-CB 3.47Å; Y77-M87 PolarHBondContact O-N 3.4Å; Y77-M87 VanDerWaalsContact O-O 3.14Å; F85-M87 VanDerWaalsContact C-N 3.29Å; M87-Y122 HydrophobicContact CE-CD1 4.18Å; M87-Y122 HydrophobicContact CE-CE1 3.74Å
88	S	98.2	Very high	96.4	Very high	69 Å²	69	67.4 Å²	67.4	48%	0.483	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	151.8	171.1	62.1	0	0	0	0	111	V75	V75-S88 CarbonylContact O-C 3.56Å; V75-S88 WeakPolarHBondContact O-CA 3.42Å
89	A	98.7	Very high	96.3	Very high	18 Å²	18	69.6 Å²	69.6	15%	0.149	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.3	170.9	0	0	0	0	0	109.1	K74 V75 Y77 V111 L113	K74-A89 WeakPolarHBondContact CA-O 3.35Å; V75-A89 PolarHBondContact N-O 2.8Å; V75-A89 PolarHBondContact O-N 2.87Å; Y77-A89 HydrophobicContact CE1-CB 4.2Å; A89-V111 HydrophobicContact CB-CG1 3.6Å; A89-L113 HydrophobicContact CB-CD2 3.64Å
90	E	98.6	Very high	96.1	Very high	158 Å²	158	68.2 Å²	68.2	74%	0.738	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	153.6	173.8	-67.7	175.7	-168	0	0	108.8	S73	S73-E90 WeakPolarHBondContact O-CA 3.47Å
91	G	98.1	Very high	96.1	Very high	37 Å²	37	71.5 Å²	71.5	38%	0.381	41%	0.414	S	S	.	.			trans	-148.6	-149.7	176	0	0	0	0	0	110.9	S73 R110	S73-G91 PolarHBondContact O-N 2.73Å; G91-R110 WeakPolarHBondContact CA-O 3.37Å
92	D	97.8	Very high	96.4	Very high	94 Å²	94	72.3 Å²	72.3	50%	0.503	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	172.5	-174.9	64.9	-88	0	0	0	112	S73 H109 R110	S73-D92 WeakPolarHBondContact CB-O 3.38Å; S73-D92 PolarHBondContact OG-O 3.47Å; D92-H109 WeakPolarHBondContact O-CA 3.26Å; D92-R110 PolarHBondContact N-O 3.12Å; D92-R110 VanDerWaalsContact N-O 3.12Å; D92-R110 PolarHBondContact O-N 3.32Å
93	A	97.9	Very high	96.5	Very high	39 Å²	39	75.3 Å²	75.3	32%	0.322	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.7	173.7	0	0	0	0	0	109.4	I108	A93-I108 CarbonylContact C-O 3.54Å; A93-I108 VanDerWaalsContact CA-O 3.29Å; A93-I108 WeakPolarHBondContact CA-O 3.21Å
94	T	97.8	Very high	96.8	Very high	54 Å²	54	67.8 Å²	67.8	33%	0.331	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	142.2	171.3	60.8	0	0	0	0	110	F96 F107 I108 R110	T94-F96 PolarHBondContact O-N 3.09Å; T94-F107 WeakPolarHBondContact O-CA 3.42Å; T94-I108 PolarHBondContact N-O 3.15Å; T94-I108 PolarHBondContact O-N 2.81Å; T94-R110 PolarHBondContact OG1-NH1 3.48Å
95	V	98.1	Very high	97	Very high	80 Å²	80	69.6 Å²	69.6	49%	0.485	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	113.4	173.6	-174.1	0	0	0	0	108.3	V97 M106 F107	V95-V97 HydrophobicContact CG1-CG2 4.08Å; V95-M106 CarbonylContact C-O 3.57Å; V95-M106 WeakPolarHBondContact CA-O 3.3Å; V95-F107 HydrophobicContact CG2-CD1 3.83Å; V95-F107 HydrophobicContact CG2-CE1 3.56Å; V95-F107 HydrophobicContact CG2-CZ 4.41Å
96	F	97.6	Very high	97.2	Very high	5 Å²	5	67 Å²	67	2%	0.022	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	119.7	169	175.2	-143.9	0	0	0	109.2	T94 D98 K105 M106 I108 N229 N232	T94-F96 PolarHBondContact O-N 3.09Å; F96-D98 HydrophobicContact CZ-CB 4.28Å; F96-K105 WeakPolarHBondContact O-CA 3.44Å; F96-M106 HydrophobicContact CD1-CE 3.41Å; F96-M106 VanDerWaalsContact CD1-CE 3.41Å; F96-M106 HydrophobicContact CD1-SD 4.26Å; F96-M106 HydrophobicContact CE1-CE 3.52Å; F96-M106 HydrophobicContact CG-CE 4.25Å; F96-M106 HydrophobicContact CZ-CE 4.41Å; F96-M106 PolarHBondContact N-O 3.04Å; F96-M106 PolarHBondContact O-N 3.18Å; F96-I108 HydrophobicContact CB-CG1 4Å; F96-N229 WeakPolarHBondContact CE1-OD1 3.25Å; F96-N229 HydrophobicContact CZ-CB 4.48Å; F96-N232 HydrophobicContact CB-CB 3.97Å; F96-N232 HydrophobicContact CD1-CB 3.91Å; F96-N232 HydrophobicContact CD2-CB 3.79Å; F96-N232 VanDerWaalsContact CD2-CG 3.48Å; F96-N232 HydrophobicContact CE1-CB 4.39Å; F96-N232 HydrophobicContact CE2-CB 4.3Å; F96-N232 HydrophobicContact CG-CB 3.61Å
97	V	97.8	Very high	97.3	Very high	62 Å²	62	63.7 Å²	63.7	38%	0.376	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	109.7	172.1	-172.5	0	0	0	0	107.4	V95 K103 R104 K105	V95-V97 HydrophobicContact CG1-CG2 4.08Å; V97-K103 HydrophobicContact CG1-CB 4.05Å; V97-R104 WeakPolarHBondContact CA-O 3.44Å; V97-K105 HydrophobicContact CG1-CG 4.45Å; V97-K105 HydrophobicContact CG2-CG 4.17Å
98	D	96.4	Very high	97.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.329	C	S	.	.			trans	-60.5	146.6	177	177.5	57.8	0	0	0	110.6	F96 G100 K103 R104 M106 N194 A195 N229	F96-D98 HydrophobicContact CZ-CB 4.28Å; D98-G100 VanDerWaalsContact C-N 3.33Å; D98-G100 WeakPolarHBondContact OD2-CA 3.39Å; D98-G100 PolarHBondContact OD2-N 2.98Å; D98-K103 WeakPolarHBondContact O-CA 3.46Å; D98-K103 WeakPolarHBondContact O-CD 3.4Å; D98-R104 PolarHBondContact N-O 3.01Å; D98-M106 HydrophobicContact CB-CE 4.04Å; D98-N194 WeakPolarHBondContact OD2-CA 3.39Å; D98-A195 HydrophobicContact CB-CB 3.97Å; D98-N229 PolarHBondContact OD1-ND2 3.09Å
99	S	95.1	Very high	97.4	Very high	47 Å²	47	57.6 Å²	57.6	33%	0.329	31%	0.306	S	S	.	.	S	Bend	trans	-87.9	0.8	-176	-77	0	0	0	0	114.1	K103	S99-K103 PolarHBondContact O-NZ 3.41Å
100	G	94.4	Very high	97.4	Very high	8 Å²	8	59 Å²	59	8%	0.082	31%	0.308	C	S	.	.	S	Bend	trans	-61.2	177.2	169.2	0	0	0	0	0	114.3	D98 E102 K103	D98-G100 VanDerWaalsContact C-N 3.33Å; D98-G100 WeakPolarHBondContact OD2-CA 3.39Å; D98-G100 PolarHBondContact OD2-N 2.98Å; G100-E102 VanDerWaalsContact C-N 3.33Å; G100-E102 PolarHBondContact O-N 2.64Å; G100-K103 VanDerWaalsContact O-CD 3.25Å; G100-K103 WeakPolarHBondContact O-CD 3.47Å; G100-K103 WeakPolarHBondContact O-CE 3.43Å; G100-K103 PolarHBondContact O-N 3.05Å; G100-K103 PolarHBondContact O-NZ 2.96Å
101	E	96.4	Very high	97.4	Very high	190 Å²	190	51.4 Å²	51.4	89%	0.888	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-38.6	-175	-63.5	-171.9	165.3	0	0	112.7	K103 N194	E101-K103 VanDerWaalsContact C-N 3.28Å; E101-K103 PolarHBondContact O-N 3.02Å; E101-N194 PolarHBondContact N-OD1 3.26Å
102	E	97.4	Very high	97.4	Very high	104 Å²	104	52.9 Å²	52.9	49%	0.486	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-14.3	-178.5	-69.1	-175.3	-142	0	0	113.6	G100 R104 N194 R196	G100-E102 VanDerWaalsContact C-N 3.33Å; G100-E102 PolarHBondContact O-N 2.64Å; E102-R104 HydrophobicContact CB-CG 4.02Å; E102-R104 PolarHBondContact O-N 2.91Å; E102-N194 HydrophobicContact CB-CB 4.13Å; E102-N194 HydrophobicContact CG-CB 4.41Å; E102-N194 PolarHBondContact N-OD1 3Å; E102-N194 PolarHBondContact OE1-ND2 2.7Å; E102-R196 IonicContact OE1-CZ 2.92Å; E102-R196 IonicContact OE1-NH1 3.96Å; E102-R196 PolarHBondContact OE1-NH1 3.15Å; E102-R196 IonicContact OE1-NH2 2.82Å; E102-R196 PolarHBondContact OE1-NH2 3.32Å; E102-R196 IonicContact OE2-CZ 2.81Å; E102-R196 IonicContact OE2-NH1 3.51Å; E102-R196 PolarHBondContact OE2-NH1 2.98Å; E102-R196 IonicContact OE2-NH2 3.48Å; E102-R196 PolarHBondContact OE2-NH2 3.34Å
103	K	96.4	Very high	97.5	Very high	107 Å²	107	48.4 Å²	48.4	47%	0.465	25%	0.25	S	S	.	.			trans	48.2	45.9	-175.1	-58.1	-62.8	178.5	-163.9	0	112.4	V97 D98 S99 G100 E101 K105	V97-K103 HydrophobicContact CG1-CB 4.05Å; D98-K103 WeakPolarHBondContact O-CA 3.46Å; D98-K103 WeakPolarHBondContact O-CD 3.4Å; S99-K103 PolarHBondContact O-NZ 3.41Å; G100-K103 VanDerWaalsContact O-CD 3.25Å; G100-K103 WeakPolarHBondContact O-CD 3.47Å; G100-K103 WeakPolarHBondContact O-CE 3.43Å; G100-K103 PolarHBondContact O-N 3.05Å; G100-K103 PolarHBondContact O-NZ 2.96Å; E101-K103 VanDerWaalsContact C-N 3.28Å; E101-K103 PolarHBondContact O-N 3.02Å; K103-K105 PolarHBondContact O-N 3.44Å
104	R	96.9	Very high	97.5	Very high	40 Å²	40	50.9 Å²	50.9	15%	0.151	26%	0.261	C	S	.	.			trans	-54.9	134.2	-177.8	-78.4	-176.1	60.3	-127.4	5.3	110.1	V97 D98 E102 N194 D199	V97-R104 WeakPolarHBondContact CA-O 3.44Å; D98-R104 PolarHBondContact N-O 3.01Å; E102-R104 HydrophobicContact CB-CG 4.02Å; E102-R104 PolarHBondContact O-N 2.91Å; R104-N194 VanDerWaalsContact CD-O 3.31Å; R104-N194 WeakPolarHBondContact CD-O 3.29Å; R104-N194 HydrophobicContact CG-CB 4.3Å; R104-N194 PolarHBondContact NH1-O 3.4Å; R104-D199 IonicContact CZ-OD2 3.88Å; R104-D199 VanDerWaalsContact CZ-OD2 3.28Å; R104-D199 IonicContact NH1-OD2 3.99Å; R104-D199 PolarHBondContact NH1-OD2 2.88Å; R104-D199 IonicContact NH2-OD2 3.98Å; R104-D199 PolarHBondContact NH2-OD2 3.19Å
105	K	96.9	Very high	97.5	Very high	136 Å²	136	51.8 Å²	51.8	59%	0.591	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.2	179.2	-59.4	-172.8	-179.3	173.5	0	109.5	F96 V97 K103	F96-K105 WeakPolarHBondContact O-CA 3.44Å; V97-K105 HydrophobicContact CG1-CG 4.45Å; V97-K105 HydrophobicContact CG2-CG 4.17Å; K103-K105 PolarHBondContact O-N 3.44Å
106	M	97.4	Very high	97.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.5	175.8	-69.3	158.7	-76.2	0	0	108.4	T66 F68 V95 F96 D98 I108 A195 R233	T66-M106 HydrophobicContact CG2-CB 4.07Å; T66-M106 HydrophobicContact CG2-CG 4.24Å; F68-M106 HydrophobicContact CD1-CG 3.88Å; F68-M106 HydrophobicContact CE1-CG 3.6Å; F68-M106 HydrophobicContact CE1-SD 4.33Å; V95-M106 CarbonylContact C-O 3.57Å; V95-M106 WeakPolarHBondContact CA-O 3.3Å; F96-M106 HydrophobicContact CD1-CE 3.41Å; F96-M106 VanDerWaalsContact CD1-CE 3.41Å; F96-M106 HydrophobicContact CD1-SD 4.26Å; F96-M106 HydrophobicContact CE1-CE 3.52Å; F96-M106 HydrophobicContact CG-CE 4.25Å; F96-M106 HydrophobicContact CZ-CE 4.41Å; F96-M106 PolarHBondContact N-O 3.04Å; F96-M106 PolarHBondContact O-N 3.18Å; D98-M106 HydrophobicContact CB-CE 4.04Å; M106-I108 HydrophobicContact CB-CD1 4.29Å; M106-A195 HydrophobicContact CE-CB 4.16Å; M106-R233 PolarHBondContact SD-NH2 2.57Å
107	F	98.4	Very high	97.5	Very high	31 Å²	31	54.1 Å²	54.1	14%	0.136	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	115.1	173.1	-62.8	-95.5	0	0	0	107.4	T66 T67 N69 K70 T94 V95 H109	T66-F107 WeakPolarHBondContact CA-O 3.29Å; T67-F107 PolarHBondContact N-O 3.5Å; T67-F107 PolarHBondContact O-N 3.34Å; N69-F107 VanDerWaalsContact C-CD2 3.43Å; K70-F107 HydrophobicContact CB-CD1 4.02Å; K70-F107 HydrophobicContact CB-CE1 3.48Å; K70-F107 VanDerWaalsContact CB-CE1 3.48Å; K70-F107 HydrophobicContact CB-CE2 4.3Å; K70-F107 HydrophobicContact CB-CZ 3.65Å; K70-F107 HydrophobicContact CD-CE1 4.46Å; K70-F107 HydrophobicContact CG-CD1 4.21Å; K70-F107 HydrophobicContact CG-CE1 3.88Å; T94-F107 WeakPolarHBondContact O-CA 3.42Å; V95-F107 HydrophobicContact CG2-CD1 3.83Å; V95-F107 HydrophobicContact CG2-CE1 3.56Å; V95-F107 HydrophobicContact CG2-CZ 4.41Å; F107-H109 PolarHBondContact O-CD2 2.86Å; F107-H109 VanDerWaalsContact O-CD2 3.25Å
108	I	98.6	Very high	97.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	109.2	178.8	-47.2	-58.9	0	0	0	108	T64 T66 A93 T94 F96 M106 R110 N232	T64-I108 HydrophobicContact CG2-CG2 3.72Å; T66-I108 HydrophobicContact CG2-CD1 4.03Å; T66-I108 WeakPolarHBondContact OG1-CD1 3.16Å; A93-I108 CarbonylContact C-O 3.54Å; A93-I108 VanDerWaalsContact CA-O 3.29Å; A93-I108 WeakPolarHBondContact CA-O 3.21Å; T94-I108 PolarHBondContact N-O 3.15Å; T94-I108 PolarHBondContact O-N 2.81Å; F96-I108 HydrophobicContact CB-CG1 4Å; M106-I108 HydrophobicContact CB-CD1 4.29Å; I108-R110 PolarHBondContact O-NH1 2.67Å; I108-N232 WeakPolarHBondContact CG2-O 3.26Å
109	H	98.8	Very high	97.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	139.2	-177.1	-60.6	-101.9	0	0	0	110.2	T64 W65 T67 T71 S73 D92 F107	T64-H109 VanDerWaalsContact CA-O 3.26Å; T64-H109 WeakPolarHBondContact CA-O 3.29Å; T64-H109 WeakPolarHBondContact CG2-O 3.36Å; W65-H109 AromaticContact CD1-CD2 3.72Å; W65-H109 HydrophobicContact CD2-CB 3.48Å; W65-H109 VanDerWaalsContact CD2-CB 3.48Å; W65-H109 AromaticContact CE2-CD2 3.98Å; W65-H109 AromaticContact CE2-CG 3.48Å; W65-H109 VanDerWaalsContact CE2-CG 3.48Å; W65-H109 HydrophobicContact CE3-CB 3.83Å; W65-H109 HydrophobicContact CG-CB 4.06Å; W65-H109 HydrophobicContact CH2-CB 3.81Å; W65-H109 HydrophobicContact CZ2-CB 3.43Å; W65-H109 VanDerWaalsContact CZ2-CB 3.43Å; W65-H109 AromaticContact CZ2-CG 3.74Å; W65-H109 AromaticContact CZ2-ND1 3.9Å; W65-H109 HydrophobicContact CZ3-CB 3.98Å; W65-H109 PolarHBondContact N-O 3.37Å; W65-H109 VanDerWaalsContact N-O 3.16Å; W65-H109 AromaticContact NE1-CD2 3.38Å; W65-H109 PolarHBondContact NE1-CD2 3.02Å; W65-H109 AromaticContact NE1-CG 3.37Å; W65-H109 AromaticContact NE1-ND1 3.94Å; W65-H109 AromaticContact NE1-NE2 3.99Å; W65-H109 PolarHBondContact O-N 3.35Å; T67-H109 WeakPolarHBondContact CG2-NE2 3.33Å; T67-H109 PolarHBondContact OG1-NE2 2.92Å; T71-H109 PolarHBondContact O-CE1 3.36Å; S73-H109 PolarHBondContact OG-ND1 2.87Å; D92-H109 WeakPolarHBondContact O-CA 3.26Å; F107-H109 PolarHBondContact O-CD2 2.86Å; F107-H109 VanDerWaalsContact O-CD2 3.25Å
110	R	98.7	Very high	97.5	Very high	46 Å²	46	55.6 Å²	55.6	17%	0.174	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	125.2	177.8	-67.4	175.2	177.7	76.4	2.9	109.7	T64 G91 D92 T94 I108 N232 S235	T64-R110 HydrophobicContact CG2-CG 4.23Å; G91-R110 WeakPolarHBondContact CA-O 3.37Å; D92-R110 PolarHBondContact N-O 3.12Å; D92-R110 VanDerWaalsContact N-O 3.12Å; D92-R110 PolarHBondContact O-N 3.32Å; T94-R110 PolarHBondContact OG1-NH1 3.48Å; I108-R110 PolarHBondContact O-NH1 2.67Å; R110-N232 PolarHBondContact NH2-O 2.81Å; R110-S235 WeakPolarHBondContact CD-OG 3.11Å; R110-S235 PolarHBondContact NE-OG 3.31Å
111	V	98.9	Very high	97.7	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.3	175.3	179.5	0	0	0	0	109.6	V62 V63 W65 V75 A89 L113	V62-V111 WeakPolarHBondContact CA-O 3.47Å; V63-V111 PolarHBondContact N-O 3.08Å; V63-V111 PolarHBondContact O-N 2.87Å; W65-V111 HydrophobicContact CH2-CB 4.47Å; W65-V111 HydrophobicContact CH2-CG2 3.49Å; W65-V111 VanDerWaalsContact CH2-CG2 3.49Å; W65-V111 HydrophobicContact CZ3-CB 4.17Å; W65-V111 HydrophobicContact CZ3-CG2 3.63Å; V75-V111 HydrophobicContact CB-CB 4.45Å; V75-V111 HydrophobicContact CB-CG1 3.99Å; V75-V111 HydrophobicContact CG2-CB 3.6Å; V75-V111 HydrophobicContact CG2-CG1 3.69Å; V75-V111 HydrophobicContact CG2-CG2 3.95Å; A89-V111 HydrophobicContact CB-CG1 3.6Å; V111-L113 HydrophobicContact CG1-CD2 4.17Å
112	T	98.7	Very high	97.8	Very high	68 Å²	68	48.2 Å²	48.2	42%	0.417	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	114.6	176.4	-54.1	0	0	0	0	110.1	P55 V62 T114	P55-T112 HydrophobicContact CG-CG2 4.46Å; V62-T112 HydrophobicContact CG2-CG2 4.32Å; T112-T114 HydrophobicContact CG2-CG2 3.95Å
113	L	98.7	Very high	97.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	134.7	169	-49.2	-174.5	0	0	0	108.6	S60 M61 V63 V75 Y77 A89 V111 L116 F138	S60-L113 CarbonylContact C-O 3.54Å; S60-L113 WeakPolarHBondContact CA-O 3.32Å; S60-L113 WeakPolarHBondContact CB-O 3.5Å; M61-L113 PolarHBondContact N-O 3.42Å; M61-L113 VanDerWaalsContact N-O 3.08Å; M61-L113 PolarHBondContact O-N 2.92Å; V63-L113 HydrophobicContact CG2-CD1 4.02Å; V63-L113 HydrophobicContact CG2-CG 4.21Å; V75-L113 HydrophobicContact CB-CD2 3.98Å; V75-L113 HydrophobicContact CG1-CD1 4.3Å; V75-L113 HydrophobicContact CG1-CD2 3.82Å; Y77-L113 HydrophobicContact CD1-CD1 4.45Å; Y77-L113 HydrophobicContact CD1-CD2 3.93Å; Y77-L113 HydrophobicContact CD2-CD1 4.35Å; Y77-L113 HydrophobicContact CE1-CD2 3.74Å; Y77-L113 HydrophobicContact CG-CD1 4.28Å; A89-L113 HydrophobicContact CB-CD2 3.64Å; V111-L113 HydrophobicContact CG1-CD2 4.17Å; L113-L116 HydrophobicContact CB-CD1 4.18Å; L113-L116 HydrophobicContact CB-CD2 4.16Å; L113-L116 HydrophobicContact CB-CG 4.36Å; L113-F138 HydrophobicContact CD1-CE1 3.82Å; L113-F138 HydrophobicContact CD1-CZ 3.74Å
114	T	98.2	Very high	98	Very high	91 Å²	91	39.1 Å²	39.1	56%	0.558	23%	0.228	S	C	*	.			trans	-132.6	162.6	-177.9	60.2	0	0	0	0	110.9	G59 T112 L116	G59-T114 CarbonylContact O-C 3.56Å; T112-T114 HydrophobicContact CG2-CG2 3.95Å; T114-L116 PolarHBondContact O-N 3.48Å
115	G	97.1	Very high	98.1	Very high	73 Å²	73	38 Å²	38	75%	0.753	22%	0.224	S	C	*	.	S	Bend	trans	68	22.1	-179	0	0	0	0	0	113.5	G59	G59-G115 PolarHBondContact O-N 3.07Å; G59-G115 VanDerWaalsContact O-N 3.08Å
116	L	98.1	Very high	98.2	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.037	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-66.3	136.4	177	-58.3	175.3	0	0	0	110	G59 M61 Y77 L113 T114 P118 Y122 F138 A140	G59-L116 WeakPolarHBondContact O-CB 3.09Å; G59-L116 WeakPolarHBondContact O-CG 3.28Å; G59-L116 PolarHBondContact O-N 2.82Å; M61-L116 HydrophobicContact CB-CD1 3.78Å; Y77-L116 HydrophobicContact CD2-CD2 4.41Å; Y77-L116 HydrophobicContact CE2-CD2 3.9Å; L113-L116 HydrophobicContact CB-CD1 4.18Å; L113-L116 HydrophobicContact CB-CD2 4.16Å; L113-L116 HydrophobicContact CB-CG 4.36Å; T114-L116 PolarHBondContact O-N 3.48Å; L116-P118 WeakPolarHBondContact O-CD 3.49Å; L116-Y122 HydrophobicContact CB-CE2 4.08Å; L116-Y122 HydrophobicContact CD2-CD1 4.29Å; L116-Y122 HydrophobicContact CD2-CD2 4.16Å; L116-Y122 HydrophobicContact CD2-CE1 3.92Å; L116-Y122 HydrophobicContact CD2-CE2 3.82Å; L116-Y122 HydrophobicContact CD2-CG 4.38Å; L116-F138 HydrophobicContact CD1-CE2 3.84Å; L116-F138 HydrophobicContact CD1-CZ 3.95Å; L116-F138 HydrophobicContact CD2-CZ 4.43Å; L116-A140 HydrophobicContact CB-CB 3.86Å; L116-A140 HydrophobicContact CD1-CB 4.23Å
117	K	97.5	Very high	98.2	Very high	126 Å²	126	31.6 Å²	31.6	55%	0.548	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-71	122.6	174.9	-67.3	178.8	-175.7	173.2	0	108.5	L79 A119 A120 Y122 A140	L79-K117 HydrophobicContact CD1-CD 4.22Å; K117-A119 PolarHBondContact O-N 2.7Å; K117-A120 HydrophobicContact CB-CB 3.81Å; K117-A120 VanDerWaalsContact O-CB 3.3Å; K117-A120 WeakPolarHBondContact O-CB 3.23Å; K117-A120 PolarHBondContact O-N 3.3Å; K117-A120 VanDerWaalsContact O-N 3.14Å; K117-Y122 PolarHBondContact N-OH 2.94Å; K117-A140 WeakPolarHBondContact O-CB 3.38Å
118	P	97	Very high	98.1	Very high	65 Å²	65	30.3 Å²	30.3	42%	0.422	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	139.1	179.8	-26.8	34.8	0	0	0	112.1	L116 A120	L116-P118 WeakPolarHBondContact O-CD 3.49Å; P118-A120 PolarHBondContact O-N 2.98Å; P118-A120 VanDerWaalsContact O-N 3.09Å
119	A	96.3	Very high	97.9	Very high	54 Å²	54	37.5 Å²	37.5	45%	0.446	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	11.6	-178.8	0	0	0	0	0	115.8	K117 A140 N142	K117-A119 PolarHBondContact O-N 2.7Å; A119-A140 VanDerWaalsContact CA-O 3.25Å; A119-A140 WeakPolarHBondContact CA-O 3.34Å; A119-A140 PolarHBondContact N-O 3.29Å; A119-N142 HydrophobicContact CB-CB 4.38Å
120	A	97.3	Very high	97.8	Very high	21 Å²	21	42.8 Å²	42.8	17%	0.174	26%	0.255	C	S	.	.			trans	-88.5	142.1	172.9	0	0	0	0	0	111.1	L79 K117 P118 Y122 A140	L79-A120 HydrophobicContact CD2-CB 3.75Å; K117-A120 HydrophobicContact CB-CB 3.81Å; K117-A120 VanDerWaalsContact O-CB 3.3Å; K117-A120 WeakPolarHBondContact O-CB 3.23Å; K117-A120 PolarHBondContact O-N 3.3Å; K117-A120 VanDerWaalsContact O-N 3.14Å; P118-A120 PolarHBondContact O-N 2.98Å; P118-A120 VanDerWaalsContact O-N 3.09Å; A120-Y122 HydrophobicContact CB-CE2 3.96Å; A120-Y122 WeakPolarHBondContact O-CD2 3.06Å; A120-A140 PolarHBondContact O-N 3.06Å
121	T	98.1	Very high	97.6	Very high	38 Å²	38	41 Å²	41	23%	0.233	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.6	174.5	-51.9	0	0	0	0	110.6	Q80 F138 T139	Q80-T121 HydrophobicContact CB-CG2 4.13Å; Q80-T121 WeakPolarHBondContact CB-O 3.48Å; Q80-T121 PolarHBondContact N-O 3.21Å; Q80-T121 VanDerWaalsContact OE1-CG2 3.26Å; T121-F138 CarbonylContact C-O 3.55Å; T121-F138 WeakPolarHBondContact CA-O 3.19Å; T121-T139 PolarHBondContact OG1-OG1 2.97Å
122	Y	98.6	Very high	97.6	Very high	5 Å²	5	44 Å²	44	2%	0.02	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.5	177.8	-71.8	-93.7	0	0	0	110	Y77 G78 L79 M87 L116 K117 A120 S137 F138 A140	Y77-Y122 AromaticContact CD2-CD1 3.72Å; Y77-Y122 HydrophobicContact CD2-CD1 3.72Å; Y77-Y122 HydrophobicContact CD2-CE1 4.1Å; Y77-Y122 HydrophobicContact CE2-CD1 4.31Å; Y77-Y122 HydrophobicContact CE2-CE1 4.23Å; G78-Y122 CarbonylContact O-C 3.48Å; G78-Y122 VanDerWaalsContact O-CA 3.28Å; G78-Y122 WeakPolarHBondContact O-CA 3.38Å; L79-Y122 HydrophobicContact CD2-CD1 4.16Å; L79-Y122 HydrophobicContact CD2-CD2 4.46Å; L79-Y122 HydrophobicContact CD2-CE1 3.66Å; L79-Y122 HydrophobicContact CD2-CE2 3.95Å; L79-Y122 HydrophobicContact CG-CD1 4.44Å; L79-Y122 HydrophobicContact CG-CE1 3.95Å; M87-Y122 HydrophobicContact CE-CD1 4.18Å; M87-Y122 HydrophobicContact CE-CE1 3.74Å; L116-Y122 HydrophobicContact CB-CE2 4.08Å; L116-Y122 HydrophobicContact CD2-CD1 4.29Å; L116-Y122 HydrophobicContact CD2-CD2 4.16Å; L116-Y122 HydrophobicContact CD2-CE1 3.92Å; L116-Y122 HydrophobicContact CD2-CE2 3.82Å; L116-Y122 HydrophobicContact CD2-CG 4.38Å; K117-Y122 PolarHBondContact N-OH 2.94Å; A120-Y122 HydrophobicContact CB-CE2 3.96Å; A120-Y122 WeakPolarHBondContact O-CD2 3.06Å; Y122-S137 CarbonylContact O-C 3.52Å; Y122-S137 WeakPolarHBondContact O-CA 3.26Å; Y122-S137 VanDerWaalsContact O-CB 3.29Å; Y122-S137 WeakPolarHBondContact O-CB 3.47Å; Y122-F138 HydrophobicContact CD2-CE2 4.36Å; Y122-F138 HydrophobicContact CD2-CZ 4.34Å; Y122-F138 HydrophobicContact CG-CZ 4.3Å; Y122-F138 PolarHBondContact N-O 2.98Å; Y122-F138 PolarHBondContact O-N 3.25Å; Y122-A140 HydrophobicContact CD2-CB 4.36Å; Y122-A140 HydrophobicContact CE2-CB 4.14Å
123	V	98.6	Very high	97.5	Very high	20 Å²	20	41.3 Å²	41.3	12%	0.121	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.5	168.6	179.3	0	0	0	0	107.3	Y77 G78 Q80 L84 I135 F136	Y77-V123 CarbonylContact C-O 3.31Å; Y77-V123 WeakPolarHBondContact CA-O 3.47Å; G78-V123 PolarHBondContact N-O 2.8Å; G78-V123 PolarHBondContact O-N 3.33Å; Q80-V123 HydrophobicContact CB-CG2 4.24Å; Q80-V123 HydrophobicContact CG-CG2 4.21Å; L84-V123 HydrophobicContact CD2-CB 4.18Å; L84-V123 HydrophobicContact CD2-CG1 3.93Å; V123-I135 HydrophobicContact CG1-CG2 3.26Å; V123-F136 CarbonylContact C-O 3.5Å; V123-F136 WeakPolarHBondContact CA-O 3.35Å
124	Y	98.8	Very high	97.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	160.3	-175.1	80.3	-79.4	0	0	0	112.8	V50 L52 V63 V75 E76 F136 F138 A210	V50-Y124 HydrophobicContact CG1-CE2 4.18Å; V50-Y124 WeakPolarHBondContact CG1-OH 3.43Å; L52-Y124 HydrophobicContact CD1-CE1 4.44Å; L52-Y124 HydrophobicContact CD2-CE1 4.37Å; V63-Y124 HydrophobicContact CG1-CD2 4.29Å; V63-Y124 HydrophobicContact CG1-CE2 3.61Å; V63-Y124 HydrophobicContact CG2-CD2 4.31Å; V63-Y124 HydrophobicContact CG2-CE2 4.12Å; V75-Y124 HydrophobicContact CG1-CD2 4.15Å; E76-Y124 VanDerWaalsContact O-CA 3.29Å; E76-Y124 WeakPolarHBondContact O-CA 3.23Å; Y124-F136 HydrophobicContact CD1-CB 3.9Å; Y124-F136 HydrophobicContact CE1-CB 3.34Å; Y124-F136 HydrophobicContact CE1-CG 4.4Å; Y124-F136 HydrophobicContact CE2-CB 4.28Å; Y124-F136 HydrophobicContact CE2-CD2 4.18Å; Y124-F136 PolarHBondContact N-O 3.07Å; Y124-F136 PolarHBondContact O-N 2.85Å; Y124-F138 AromaticContact CD1-CD1 3.52Å; Y124-F138 HydrophobicContact CD1-CD1 3.52Å; Y124-F138 AromaticContact CD1-CE1 3.91Å; Y124-F138 HydrophobicContact CD1-CE1 3.91Å; Y124-F138 AromaticContact CE1-CD1 3.64Å; Y124-F138 HydrophobicContact CE1-CD1 3.64Å; Y124-F138 HydrophobicContact CE1-CE1 4.34Å; Y124-F138 HydrophobicContact CG-CD1 4.4Å; Y124-F138 HydrophobicContact CG-CE1 4.37Å; Y124-A210 WeakPolarHBondContact CE1-O 3.29Å; Y124-A210 PolarHBondContact OH-O 3.48Å
125	H	98.6	Very high	97.5	Very high	18 Å²	18	47.2 Å²	47.2	8%	0.083	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	156.8	162.6	67.8	164.2	0	0	0	109.1	V75 E76 F85 W132	V75-H125 WeakPolarHBondContact CA-O 3.38Å; E76-H125 PolarHBondContact N-O 3.03Å; E76-H125 VanDerWaalsContact N-O 3.07Å; E76-H125 PolarHBondContact O-CD2 3.25Å; E76-H125 PolarHBondContact O-N 2.94Å; E76-H125 IonicContact OE2-CE1 3.63Å; E76-H125 IonicContact OE2-NE2 2.87Å; E76-H125 PolarHBondContact OE2-NE2 2.88Å; F85-H125 AromaticContact CD1-CD2 3.84Å; F85-H125 AromaticContact CD2-NE2 3.96Å; F85-H125 HydrophobicContact CE1-CB 4.46Å; F85-H125 AromaticContact CE1-CD2 3.64Å; F85-H125 AromaticContact CG-NE2 3.98Å; F85-H125 HydrophobicContact CZ-CB 4.43Å; F85-H125 AromaticContact CZ-CD2 3.87Å; F85-H125 AromaticContact CZ-CG 3.89Å; H125-W132 AromaticContact CD2-CE3 3.94Å; H125-W132 AromaticContact CE1-CD2 3.63Å; H125-W132 AromaticContact CE1-CE3 3.56Å; H125-W132 AromaticContact CE1-CG 3.97Å; H125-W132 AromaticContact CG-CE3 3.95Å; H125-W132 AromaticContact ND1-CD2 3.96Å; H125-W132 AromaticContact ND1-CE3 3.74Å; H125-W132 AromaticContact NE2-CE3 3.7Å; H125-W132 AromaticContact NE2-CZ3 3.83Å
126	C	98.8	Very high	97.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	157.2	-178.9	61.2	0	0	0	0	110.8	P47 V63 W65 K74 V75 S133	P47-C126 WeakPolarHBondContact CG-O 3.47Å; V63-C126 HydrophobicContact CG1-CB 4.15Å; W65-C126 HydrophobicContact CD2-CB 3.91Å; W65-C126 HydrophobicContact CE3-CB 3.65Å; W65-C126 HydrophobicContact CH2-CB 3.97Å; W65-C126 HydrophobicContact CZ2-CB 4.23Å; W65-C126 HydrophobicContact CZ3-CB 3.7Å; K74-C126 CarbonylContact O-C 3.59Å; K74-C126 WeakPolarHBondContact O-CA 3.49Å; V75-C126 HydrophobicContact CG2-CB 3.88Å; C126-S133 PolarHBondContact N-OG 3.33Å; C126-S133 WeakPolarHBondContact O-CB 3.38Å; C126-S133 PolarHBondContact O-N 2.94Å; C126-S133 PolarHBondContact O-OG 2.88Å
127	G	98.3	Very high	97.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140	-139.8	179.1	0	0	0	0	0	112.9	K74 G131	K74-G127 WeakPolarHBondContact CA-O 3.34Å; K74-G127 WeakPolarHBondContact CB-O 3.44Å; K74-G127 PolarHBondContact N-O 3.21Å; K74-G127 PolarHBondContact O-N 2.7Å; G127-G131 WeakPolarHBondContact CA-O 3.44Å
128	S	97.3	Very high	97.6	Very high	5 Å²	5	39.7 Å²	39.7	4%	0.035	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	178.8	179.3	73.1	0	0	0	0	110.9	T71 E130 G131 W132	T71-S128 WeakPolarHBondContact OG1-CB 3.21Å; T71-S128 PolarHBondContact OG1-OG 2.83Å; S128-E130 PolarHBondContact O-N 3.47Å; S128-E130 WeakPolarHBondContact OG-CB 3.39Å; S128-E130 PolarHBondContact OG-N 2.64Å; S128-E130 VanDerWaalsContact OG-N 3.11Å; S128-G131 PolarHBondContact N-O 2.52Å; S128-G131 CarbonylContact O-C 3.56Å; S128-G131 VanDerWaalsContact O-C 3.31Å; S128-G131 PolarHBondContact O-N 3.05Å; S128-W132 VanDerWaalsContact O-CE2 3.29Å; S128-W132 PolarHBondContact O-NE1 2.72Å; S128-W132 VanDerWaalsContact O-NE1 3.12Å
129	D	94.6	Very high	97.6	Very high	151 Å²	151	39.8 Å²	39.8	81%	0.807	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-13	172.4	-68.6	-22.1	0	0	0	113.3
130	E	95.3	Very high	97.7	Very high	111 Å²	111	37.4 Å²	37.4	52%	0.519	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-11.5	174.8	-58.4	-179.5	-104.6	0	0	113.6	T45 T71 S128	T45-E130 HydrophobicContact CG2-CB 4.22Å; T45-E130 PolarHBondContact OG1-O 2.57Å; T45-E130 VanDerWaalsContact OG1-O 3.07Å; T71-E130 WeakPolarHBondContact CB-OE1 3.44Å; T71-E130 PolarHBondContact OG1-OE1 3.23Å; S128-E130 PolarHBondContact O-N 3.47Å; S128-E130 WeakPolarHBondContact OG-CB 3.39Å; S128-E130 PolarHBondContact OG-N 2.64Å; S128-E130 VanDerWaalsContact OG-N 3.11Å
131	G	95.6	Very high	97.7	Very high	9 Å²	9	37.3 Å²	37.3	9%	0.093	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172	125.6	-178.7	0	0	0	0	0	112.5	P47 G127 S128	P47-G131 WeakPolarHBondContact CD-O 3.46Å; G127-G131 WeakPolarHBondContact CA-O 3.44Å; S128-G131 PolarHBondContact N-O 2.52Å; S128-G131 CarbonylContact O-C 3.56Å; S128-G131 VanDerWaalsContact O-C 3.31Å; S128-G131 PolarHBondContact O-N 3.05Å
132	W	97.4	Very high	97.5	Very high	62 Å²	62	37.7 Å²	37.7	24%	0.235	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.1	178.7	-69.9	103.5	0	0	0	110.6	Q46 K74 E76 H125 S128	Q46-W132 PolarHBondContact NE2-O 2.93Å; K74-W132 HydrophobicContact CB-CH2 4.11Å; K74-W132 HydrophobicContact CD-CH2 3.91Å; K74-W132 HydrophobicContact CG-CH2 4.05Å; E76-W132 HydrophobicContact CG-CH2 3.78Å; E76-W132 HydrophobicContact CG-CZ3 4.07Å; H125-W132 AromaticContact CD2-CE3 3.94Å; H125-W132 AromaticContact CE1-CD2 3.63Å; H125-W132 AromaticContact CE1-CE3 3.56Å; H125-W132 AromaticContact CE1-CG 3.97Å; H125-W132 AromaticContact CG-CE3 3.95Å; H125-W132 AromaticContact ND1-CD2 3.96Å; H125-W132 AromaticContact ND1-CE3 3.74Å; H125-W132 AromaticContact NE2-CE3 3.7Å; H125-W132 AromaticContact NE2-CZ3 3.83Å; S128-W132 VanDerWaalsContact O-CE2 3.29Å; S128-W132 PolarHBondContact O-NE1 2.72Å; S128-W132 VanDerWaalsContact O-NE1 3.12Å
133	S	98.4	Very high	97.2	Very high	11 Å²	11	40.2 Å²	40.2	8%	0.077	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-61.8	172.1	174.1	72.9	0	0	0	0	112.7	C126	C126-S133 PolarHBondContact N-OG 3.33Å; C126-S133 WeakPolarHBondContact O-CB 3.38Å; C126-S133 PolarHBondContact O-N 2.94Å; C126-S133 PolarHBondContact O-OG 2.88Å
134	D	97.3	Very high	97	Very high	122 Å²	122	41.7 Å²	41.7	65%	0.652	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-57	163.9	157.7	-70.6	-41.3	0	0	0	111.1	F136	D134-F136 HydrophobicContact CB-CE1 4.32Å; D134-F136 HydrophobicContact CB-CE2 4.37Å; D134-F136 HydrophobicContact CB-CZ 3.96Å; D134-F136 WeakPolarHBondContact O-CD2 3.37Å; D134-F136 WeakPolarHBondContact O-CE2 3.49Å
135	I	98	Very high	96.7	Very high	94 Å²	94	43.5 Å²	43.5	48%	0.482	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-84.8	124.8	175.8	-57.4	-179.6	0	0	0	109.2	F85 V123	F85-I135 HydrophobicContact CE2-CD1 4.29Å; F85-I135 HydrophobicContact CZ-CD1 3.89Å; F85-I135 HydrophobicContact CZ-CG1 4.02Å; F85-I135 HydrophobicContact CZ-CG2 4.33Å; V123-I135 HydrophobicContact CG1-CG2 3.26Å
136	F	98.4	Very high	96.5	Very high	10 Å²	10	47.6 Å²	47.6	4%	0.044	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	174.5	177.1	-57.3	-68.7	0	0	0	111	V50 V123 Y124 D134 Q206 A210 Y211	V50-F136 HydrophobicContact CB-CE2 3.96Å; V50-F136 HydrophobicContact CB-CZ 4.36Å; V50-F136 HydrophobicContact CG1-CD2 4.13Å; V50-F136 HydrophobicContact CG1-CE2 4.01Å; V50-F136 HydrophobicContact CG2-CE2 3.83Å; V50-F136 HydrophobicContact CG2-CZ 4.34Å; V123-F136 CarbonylContact C-O 3.5Å; V123-F136 WeakPolarHBondContact CA-O 3.35Å; Y124-F136 HydrophobicContact CD1-CB 3.9Å; Y124-F136 HydrophobicContact CE1-CB 3.34Å; Y124-F136 HydrophobicContact CE1-CG 4.4Å; Y124-F136 HydrophobicContact CE2-CB 4.28Å; Y124-F136 HydrophobicContact CE2-CD2 4.18Å; Y124-F136 PolarHBondContact N-O 3.07Å; Y124-F136 PolarHBondContact O-N 2.85Å; D134-F136 HydrophobicContact CB-CE1 4.32Å; D134-F136 HydrophobicContact CB-CE2 4.37Å; D134-F136 HydrophobicContact CB-CZ 3.96Å; D134-F136 WeakPolarHBondContact O-CD2 3.37Å; D134-F136 WeakPolarHBondContact O-CE2 3.49Å; F136-Q206 HydrophobicContact CE1-CG 4.49Å; F136-Q206 HydrophobicContact CZ-CG 4.34Å; F136-A210 HydrophobicContact CB-CB 4.42Å; F136-A210 HydrophobicContact CD1-CB 3.61Å; F136-A210 HydrophobicContact CD2-CB 4.29Å; F136-A210 HydrophobicContact CE1-CB 3.87Å; F136-A210 HydrophobicContact CG-CB 3.85Å; F136-A210 HydrophobicContact CZ-CB 4.32Å; F136-Y211 AromaticContact CD1-CE2 3.85Å; F136-Y211 HydrophobicContact CD1-CE2 3.85Å; F136-Y211 AromaticContact CD1-CZ 3.75Å; F136-Y211 HydrophobicContact CE1-CE2 4.4Å
137	S	98.1	Very high	96.4	Very high	35 Å²	35	49.4 Å²	49.4	25%	0.245	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	146.7	172.5	63.3	0	0	0	0	111.8	Y122 Y211	Y122-S137 CarbonylContact O-C 3.52Å; Y122-S137 WeakPolarHBondContact O-CA 3.26Å; Y122-S137 VanDerWaalsContact O-CB 3.29Å; Y122-S137 WeakPolarHBondContact O-CB 3.47Å; S137-Y211 WeakPolarHBondContact O-CA 3.44Å; S137-Y211 VanDerWaalsContact O-CD1 3.23Å; S137-Y211 WeakPolarHBondContact O-CD1 3.4Å
138	F	98.5	Very high	96.4	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.009	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	159.3	174.2	71.8	-87.8	0	0	0	111	L52 M61 L113 L116 T121 Y122 Y124 A140 Y211	L52-F138 HydrophobicContact CD1-CB 3.4Å; L52-F138 VanDerWaalsContact CD1-CB 3.4Å; L52-F138 HydrophobicContact CD1-CD1 4.14Å; L52-F138 HydrophobicContact CD1-CG 3.83Å; M61-F138 HydrophobicContact CB-CE2 3.93Å; M61-F138 HydrophobicContact CB-CZ 4.14Å; M61-F138 HydrophobicContact CE-CD2 3.9Å; M61-F138 HydrophobicContact CE-CE2 4.19Å; M61-F138 HydrophobicContact CG-CD2 4.24Å; M61-F138 HydrophobicContact CG-CE2 4Å; M61-F138 HydrophobicContact CG-CZ 4.27Å; L113-F138 HydrophobicContact CD1-CE1 3.82Å; L113-F138 HydrophobicContact CD1-CZ 3.74Å; L116-F138 HydrophobicContact CD1-CE2 3.84Å; L116-F138 HydrophobicContact CD1-CZ 3.95Å; L116-F138 HydrophobicContact CD2-CZ 4.43Å; T121-F138 CarbonylContact C-O 3.55Å; T121-F138 WeakPolarHBondContact CA-O 3.19Å; Y122-F138 HydrophobicContact CD2-CE2 4.36Å; Y122-F138 HydrophobicContact CD2-CZ 4.34Å; Y122-F138 HydrophobicContact CG-CZ 4.3Å; Y122-F138 PolarHBondContact N-O 2.98Å; Y122-F138 PolarHBondContact O-N 3.25Å; Y124-F138 AromaticContact CD1-CD1 3.52Å; Y124-F138 HydrophobicContact CD1-CD1 3.52Å; Y124-F138 AromaticContact CD1-CE1 3.91Å; Y124-F138 HydrophobicContact CD1-CE1 3.91Å; Y124-F138 AromaticContact CE1-CD1 3.64Å; Y124-F138 HydrophobicContact CE1-CD1 3.64Å; Y124-F138 HydrophobicContact CE1-CE1 4.34Å; Y124-F138 HydrophobicContact CG-CD1 4.4Å; Y124-F138 HydrophobicContact CG-CE1 4.37Å; F138-A140 HydrophobicContact CE2-CB 4.47Å; F138-Y211 WeakPolarHBondContact CA-O 3.44Å; F138-Y211 WeakPolarHBondContact CB-O 3.48Å
139	T	98.1	Very high	96.5	Very high	68 Å²	68	50.6 Å²	50.6	42%	0.417	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.3	172.1	-60.9	0	0	0	0	109.4	T121 L141	T121-T139 PolarHBondContact OG1-OG1 2.97Å; T139-L141 PolarHBondContact O-N 2.6Å
140	A	97.9	Very high	96.7	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.025	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-63.4	136.1	176.1	0	0	0	0	0	110.1	L116 K117 A119 A120 Y122 F138	L116-A140 HydrophobicContact CB-CB 3.86Å; L116-A140 HydrophobicContact CD1-CB 4.23Å; K117-A140 WeakPolarHBondContact O-CB 3.38Å; A119-A140 VanDerWaalsContact CA-O 3.25Å; A119-A140 WeakPolarHBondContact CA-O 3.34Å; A119-A140 PolarHBondContact N-O 3.29Å; A120-A140 PolarHBondContact O-N 3.06Å; Y122-A140 HydrophobicContact CD2-CB 4.36Å; Y122-A140 HydrophobicContact CE2-CB 4.14Å; F138-A140 HydrophobicContact CE2-CB 4.47Å
141	L	96.8	Very high	96.9	Very high	20 Å²	20	42.2 Å²	42.2	11%	0.105	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-57.8	142.2	-177.3	-67	179.8	0	0	0	111.6	Y54 T139 V179 P213 L249	Y54-L141 HydrophobicContact CD1-CD1 4.04Å; Y54-L141 HydrophobicContact CD2-CD1 3.62Å; Y54-L141 HydrophobicContact CE1-CD1 4.46Å; Y54-L141 HydrophobicContact CE2-CD1 4.1Å; Y54-L141 HydrophobicContact CG-CD1 3.58Å; T139-L141 PolarHBondContact O-N 2.6Å; L141-V179 HydrophobicContact CD2-CG2 3.96Å; L141-P213 HydrophobicContact CD2-CG 4.12Å; L141-L249 HydrophobicContact CB-CD1 4.26Å; L141-L249 HydrophobicContact CD1-CD1 4.29Å; L141-L249 HydrophobicContact CD2-CD1 4.3Å; L141-L249 HydrophobicContact CD2-CD2 4.38Å
142	N	94.9	Very high	97	Very high	46 Å²	46	41.8 Å²	41.8	25%	0.246	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-74.5	130.7	175.9	-169.4	-30.2	0	0	0	109.5	A119 S144 F147	A119-N142 HydrophobicContact CB-CB 4.38Å; N142-S144 WeakPolarHBondContact OD1-CB 3.41Å; N142-S144 PolarHBondContact OD1-N 3.49Å; N142-F147 HydrophobicContact CB-CB 4.01Å; N142-F147 HydrophobicContact CB-CD1 3.77Å; N142-F147 HydrophobicContact CB-CD2 3.67Å; N142-F147 HydrophobicContact CB-CE1 4.09Å; N142-F147 HydrophobicContact CB-CE2 4.02Å; N142-F147 HydrophobicContact CB-CG 3.54Å; N142-F147 HydrophobicContact CB-CZ 4.21Å
143	S	90.9	Very high	97.1	Very high	58 Å²	58	38.8 Å²	38.8	41%	0.406	23%	0.226	S	C	.	.			trans	-86.5	-3.3	-177.3	61.8	0	0	0	0	114
144	S	94.2	Very high	97.1	Very high	51 Å²	51	38.3 Å²	38.3	36%	0.357	22%	0.222	S	C	.	.			trans	-76.7	133.3	179.8	-177.8	0	0	0	0	111.2	N142 S146 F147	N142-S144 WeakPolarHBondContact OD1-CB 3.41Å; N142-S144 PolarHBondContact OD1-N 3.49Å; S144-S146 PolarHBondContact O-N 2.77Å; S144-S146 PolarHBondContact OG-N 3.18Å; S144-S146 VanDerWaalsContact OG-N 3.16Å; S144-F147 WeakPolarHBondContact O-CB 3.38Å; S144-F147 PolarHBondContact O-N 2.69Å
145	S	93.3	Very high	97.2	Very high	38 Å²	38	32.5 Å²	32.5	27%	0.266	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.7	169.5	54.5	0	0	0	0	113.5	F147 G250 S251	S145-F147 VanDerWaalsContact C-N 3.33Å; S145-G250 WeakPolarHBondContact CA-O 3.41Å; S145-G250 CarbonylContact O-C 3.53Å; S145-S251 PolarHBondContact O-N 3.29Å
146	S	94.9	Very high	97.2	Very high	103 Å²	103	28 Å²	28	72%	0.72	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	1.4	172.2	-54.7	0	0	0	0	113.1	S144	S144-S146 PolarHBondContact O-N 2.77Å; S144-S146 PolarHBondContact OG-N 3.18Å; S144-S146 VanDerWaalsContact OG-N 3.16Å
147	F	97.2	Very high	97.2	Very high	39 Å²	39	27.6 Å²	27.6	17%	0.171	17%	0.167	C	C	.	.			trans	-60	141	171.2	179.3	-130.4	0	0	0	109.6	N142 S144 S145 P149 D178 L249	N142-F147 HydrophobicContact CB-CB 4.01Å; N142-F147 HydrophobicContact CB-CD1 3.77Å; N142-F147 HydrophobicContact CB-CD2 3.67Å; N142-F147 HydrophobicContact CB-CE1 4.09Å; N142-F147 HydrophobicContact CB-CE2 4.02Å; N142-F147 HydrophobicContact CB-CG 3.54Å; N142-F147 HydrophobicContact CB-CZ 4.21Å; S144-F147 WeakPolarHBondContact O-CB 3.38Å; S144-F147 PolarHBondContact O-N 2.69Å; S145-F147 VanDerWaalsContact C-N 3.33Å; F147-P149 HydrophobicContact CD1-CB 3.86Å; F147-P149 HydrophobicContact CD1-CG 4.3Å; F147-P149 HydrophobicContact CE1-CB 3.6Å; F147-P149 HydrophobicContact CZ-CB 4.4Å; F147-P149 WeakPolarHBondContact O-CD 3.48Å; F147-D178 HydrophobicContact CE1-CB 4.31Å; F147-D178 HydrophobicContact CZ-CB 4.12Å; F147-L249 HydrophobicContact CD1-CD1 3.95Å; F147-L249 HydrophobicContact CD1-CG 4.34Å; F147-L249 HydrophobicContact CE1-CD1 4.13Å; F147-L249 HydrophobicContact CE1-CG 4.49Å
148	S	98.3	Very high	97.2	Very high	29 Å²	29	25.9 Å²	25.9	20%	0.203	16%	0.155	C	C	.	.			trans	-105.8	81.6	176.3	-178.3	0	0	0	0	109.9	Q421 V422 V423	S148-Q421 WeakPolarHBondContact OG-CG 3.25Å; S148-Q421 PolarHBondContact OG-NE2 3.06Å; S148-V422 CarbonylContact C-O 3.52Å; S148-V422 WeakPolarHBondContact CA-O 3.29Å; S148-V422 WeakPolarHBondContact CB-O 3.49Å; S148-V422 PolarHBondContact OG-O 2.79Å; S148-V423 VanDerWaalsContact OG-CA 3.31Å; S148-V423 WeakPolarHBondContact OG-CA 3.47Å; S148-V423 PolarHBondContact OG-O 3.32Å
149	P	98.3	Very high	97.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.158	C	C	.	.			trans	-69.1	142.5	-176.3	28.2	-35.9	0	0	0	112	F147 F151 L249 Q421 V422	F147-P149 HydrophobicContact CD1-CB 3.86Å; F147-P149 HydrophobicContact CD1-CG 4.3Å; F147-P149 HydrophobicContact CE1-CB 3.6Å; F147-P149 HydrophobicContact CZ-CB 4.4Å; F147-P149 WeakPolarHBondContact O-CD 3.48Å; P149-F151 HydrophobicContact CB-CE2 3.63Å; P149-F151 HydrophobicContact CB-CZ 3.71Å; P149-F151 HydrophobicContact CG-CE2 3.65Å; P149-F151 HydrophobicContact CG-CZ 3.81Å; P149-L249 HydrophobicContact CB-CD2 3.61Å; P149-L249 HydrophobicContact CB-CG 3.82Å; P149-L249 HydrophobicContact CG-CD2 4.24Å; P149-L249 HydrophobicContact CG-CG 4.02Å; P149-Q421 WeakPolarHBondContact O-CA 3.49Å; P149-V422 HydrophobicContact CG-CB 4.02Å; P149-V422 HydrophobicContact CG-CG2 4.45Å; P149-V422 PolarHBondContact O-N 3.01Å; P149-V422 VanDerWaalsContact O-N 3.09Å
150	R	98.8	Very high	97.2	Very high	85 Å²	85	28.6 Å²	28.6	32%	0.321	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.4	176	-58.4	164.3	-64	153	9.1	110	G175 M176 D178 V179 M420 Q421	R150-G175 PolarHBondContact NH1-O 2.85Å; R150-G175 PolarHBondContact NH2-O 3.41Å; R150-M176 PolarHBondContact NH1-O 3.41Å; R150-D178 WeakPolarHBondContact CB-OD2 3.4Å; R150-D178 IonicContact CZ-OD1 3.05Å; R150-D178 IonicContact CZ-OD2 3.32Å; R150-D178 PolarHBondContact N-OD2 3.33Å; R150-D178 IonicContact NE-OD1 2.69Å; R150-D178 IonicContact NE-OD2 3.76Å; R150-D178 PolarHBondContact NE-OD2 3.25Å; R150-D178 VanDerWaalsContact NE-OD2 3.15Å; R150-D178 IonicContact NH2-OD1 3.71Å; R150-D178 PolarHBondContact NH2-OD1 3.41Å; R150-D178 IonicContact NH2-OD2 3.32Å; R150-D178 PolarHBondContact O-N 3.48Å; R150-V179 PolarHBondContact O-N 3.01Å; R150-M420 CarbonylContact C-O 3.49Å; R150-M420 WeakPolarHBondContact CA-O 3.14Å; R150-Q421 HydrophobicContact CG-CB 4.36Å; R150-Q421 HydrophobicContact CG-CG 3.93Å
151	F	98.9	Very high	97.2	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.2	-174.3	-54.3	-99.4	0	0	0	110.7	P149 L153 V179 L181 L249 I254 R419 M420 V422	P149-F151 HydrophobicContact CB-CE2 3.63Å; P149-F151 HydrophobicContact CB-CZ 3.71Å; P149-F151 HydrophobicContact CG-CE2 3.65Å; P149-F151 HydrophobicContact CG-CZ 3.81Å; F151-L153 HydrophobicContact CB-CD2 3.72Å; F151-L153 HydrophobicContact CB-CG 4.31Å; F151-V179 VanDerWaalsContact CA-O 3.31Å; F151-V179 WeakPolarHBondContact CA-O 3.49Å; F151-V179 HydrophobicContact CD1-CB 3.72Å; F151-V179 HydrophobicContact CD1-CG1 4.16Å; F151-V179 HydrophobicContact CD1-CG2 4.48Å; F151-V179 HydrophobicContact CE1-CB 3.86Å; F151-V179 HydrophobicContact CE1-CG1 4.27Å; F151-V179 HydrophobicContact CE1-CG2 4.15Å; F151-L181 HydrophobicContact CD1-CD1 4.31Å; F151-L181 HydrophobicContact CD1-CD2 4.2Å; F151-L181 HydrophobicContact CD1-CG 4.09Å; F151-L249 HydrophobicContact CE1-CD2 4.13Å; F151-L249 HydrophobicContact CZ-CD2 3.97Å; F151-I254 HydrophobicContact CE1-CD1 3.78Å; F151-I254 HydrophobicContact CZ-CD1 3.79Å; F151-R419 WeakPolarHBondContact O-CA 3.4Å; F151-M420 HydrophobicContact CB-CB 4.36Å; F151-M420 HydrophobicContact CB-CE 4.32Å; F151-M420 HydrophobicContact CD2-CE 3.54Å; F151-M420 HydrophobicContact CE2-CE 3.9Å; F151-M420 HydrophobicContact CG-CE 3.89Å; F151-M420 PolarHBondContact N-O 2.89Å; F151-M420 PolarHBondContact O-N 3.02Å; F151-V422 HydrophobicContact CE2-CG2 3.94Å
152	A	98.9	Very high	97.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	138.1	151.9	0	0	0	0	0	108.5	Y154 L168 Y177 V179 I180 L181	A152-Y154 HydrophobicContact CB-CE1 4.4Å; A152-L168 HydrophobicContact CB-CD2 3.91Å; A152-Y177 HydrophobicContact CB-CD1 3.91Å; A152-Y177 HydrophobicContact CB-CD2 4.05Å; A152-Y177 HydrophobicContact CB-CE1 3.76Å; A152-Y177 HydrophobicContact CB-CE2 3.91Å; A152-Y177 HydrophobicContact CB-CG 4.05Å; A152-V179 PolarHBondContact N-O 2.8Å; A152-I180 HydrophobicContact CB-CD1 3.6Å; A152-L181 PolarHBondContact O-N 2.82Å
153	L	98.6	Very high	97.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.9	-175	-49.6	178.8	0	0	0	108.7	F151 L181 L350 T388 S418 M420 L430	F151-L153 HydrophobicContact CB-CD2 3.72Å; F151-L153 HydrophobicContact CB-CG 4.31Å; L153-L181 HydrophobicContact CD2-CB 3.68Å; L153-L181 HydrophobicContact CD2-CD1 3.46Å; L153-L181 VanDerWaalsContact CD2-CD1 3.46Å; L153-L181 HydrophobicContact CD2-CG 3.53Å; L153-L350 HydrophobicContact CD1-CD1 3.84Å; L153-L350 HydrophobicContact CD1-CD2 3.97Å; L153-L350 HydrophobicContact CD2-CD1 4.02Å; L153-T388 HydrophobicContact CB-CG2 4.25Å; L153-T388 PolarHBondContact O-OG1 2.94Å; L153-S418 PolarHBondContact N-O 2.95Å; L153-S418 PolarHBondContact O-N 2.86Å; L153-M420 HydrophobicContact CD1-CB 3.6Å; L153-M420 HydrophobicContact CD1-CE 4.32Å; L153-M420 HydrophobicContact CD1-CG 4.45Å; L153-M420 HydrophobicContact CD1-SD 4.16Å; L153-M420 HydrophobicContact CD2-CE 4.34Å; L153-M420 HydrophobicContact CG-CB 4.19Å; L153-L430 HydrophobicContact CD1-CD1 4.18Å
154	Y	98.8	Very high	97.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	157.6	173.8	52.1	-86.9	0	0	0	110.8	A152 L157 L168 I180 L181 H182 I183 Y214 T388 A391	A152-Y154 HydrophobicContact CB-CE1 4.4Å; Y154-L157 HydrophobicContact CD2-CB 4.31Å; Y154-L157 HydrophobicContact CE2-CB 4.24Å; Y154-L157 HydrophobicContact CE2-CD2 4.03Å; Y154-L168 HydrophobicContact CD1-CD1 3.87Å; Y154-L168 HydrophobicContact CD1-CD2 3.99Å; Y154-L168 HydrophobicContact CD2-CD1 4.49Å; Y154-L168 HydrophobicContact CE1-CD1 3.5Å; Y154-L168 VanDerWaalsContact CE1-CD1 3.5Å; Y154-L168 HydrophobicContact CE1-CD2 3.66Å; Y154-L168 HydrophobicContact CE1-CG 4.22Å; Y154-L168 HydrophobicContact CE2-CD1 4.18Å; Y154-L168 HydrophobicContact CG-CD1 4.36Å; Y154-I180 HydrophobicContact CE1-CG2 3.58Å; Y154-I180 WeakPolarHBondContact OH-CG2 3.42Å; Y154-L181 PolarHBondContact N-O 2.88Å; Y154-L181 VanDerWaalsContact N-O 3.14Å; Y154-H182 AromaticContact CD2-CD2 3.36Å; Y154-H182 WeakPolarHBondContact CD2-CD2 3.43Å; Y154-H182 AromaticContact CD2-NE2 3.77Å; Y154-H182 HydrophobicContact CE2-CB 4.18Å; Y154-H182 AromaticContact CE2-CD2 3.38Å; Y154-H182 WeakPolarHBondContact CE2-CD2 3.3Å; Y154-H182 AromaticContact CE2-CG 3.69Å; Y154-H182 AromaticContact CE2-NE2 3.74Å; Y154-H182 CarbonylContact O-C 3.5Å; Y154-H182 VanDerWaalsContact O-CA 3.25Å; Y154-H182 WeakPolarHBondContact O-CA 3.26Å; Y154-H182 PolarHBondContact O-CD2 2.85Å; Y154-I183 PolarHBondContact O-N 2.81Å; Y154-Y214 WeakPolarHBondContact CE2-OH 3.44Å; Y154-Y214 WeakPolarHBondContact OH-CE2 3.44Å; Y154-Y214 PolarHBondContact OH-OH 2.89Å; Y154-T388 WeakPolarHBondContact CA-O 3.39Å; Y154-A391 HydrophobicContact CD2-CB 4.01Å; Y154-A391 HydrophobicContact CG-CB 4.27Å
155	G	98.6	Very high	97.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.			trans	-118.1	-178.2	160	0	0	0	0	0	110.5	L157 T388 A391	G155-L157 VanDerWaalsContact C-N 3.32Å; G155-L157 PolarHBondContact O-N 2.87Å; G155-T388 PolarHBondContact N-O 3.49Å; G155-A391 WeakPolarHBondContact O-CB 3.31Å
156	D	98.8	Very high	98.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.169	C	C	.	.			trans	64.3	36.8	158.6	-51.5	-84.4	0	0	0	113.6	G184 D185 Y188 H303 A352 H353 H355 G389 G392	D156-G184 PolarHBondContact N-O 3.3Å; D156-D185 WeakPolarHBondContact CA-O 3.45Å; D156-Y188 WeakPolarHBondContact CA-OH 3.35Å; D156-Y188 HydrophobicContact CB-CE2 4.47Å; D156-Y188 WeakPolarHBondContact CB-OH 3.37Å; D156-Y188 VanDerWaalsContact CG-OH 3.32Å; D156-Y188 PolarHBondContact OD1-OH 3.01Å; D156-H303 IonicContact OD1-CE1 3.56Å; D156-H303 PolarHBondContact OD1-CE1 3.23Å; D156-H303 IonicContact OD2-CE1 2.7Å; D156-A352 VanDerWaalsContact OD2-CB 3.29Å; D156-A352 WeakPolarHBondContact OD2-CB 3.25Å; D156-H353 WeakPolarHBondContact OD1-CA 3.49Å; D156-H353 PolarHBondContact OD1-N 2.94Å; D156-H353 PolarHBondContact OD2-N 3.26Å; D156-H355 IonicContact OD1-CD2 2.76Å; D156-H355 IonicContact OD1-NE2 3.86Å; D156-G389 WeakPolarHBondContact CB-O 3.35Å; D156-G389 WeakPolarHBondContact OD2-CA 3.22Å; D156-G392 CarbonylContact O-C 3.54Å; D156-G392 VanDerWaalsContact O-C 3.24Å; D156-G392 PolarHBondContact O-N 3.3Å; D156-G392 VanDerWaalsContact O-O 3.12Å
157	L	98.7	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	111.2	171.6	-170.2	70.8	0	0	0	109.5	Y154 G155 P162 L165 D185 A187 F201 I205 A391 G392	Y154-L157 HydrophobicContact CD2-CB 4.31Å; Y154-L157 HydrophobicContact CE2-CB 4.24Å; Y154-L157 HydrophobicContact CE2-CD2 4.03Å; G155-L157 VanDerWaalsContact C-N 3.32Å; G155-L157 PolarHBondContact O-N 2.87Å; L157-P162 HydrophobicContact CD1-CB 3.77Å; L157-P162 HydrophobicContact CG-CB 4.4Å; L157-L165 HydrophobicContact CD2-CD1 4.45Å; L157-D185 PolarHBondContact N-O 2.99Å; L157-A187 PolarHBondContact O-N 3.5Å; L157-F201 HydrophobicContact CB-CE2 4.36Å; L157-F201 HydrophobicContact CD2-CE2 4.27Å; L157-F201 HydrophobicContact CD2-CZ 4.5Å; L157-F201 HydrophobicContact CG-CE2 4.16Å; L157-F201 WeakPolarHBondContact O-CE2 3.37Å; L157-I205 HydrophobicContact CD2-CG2 4.23Å; L157-A391 HydrophobicContact CB-CB 4.08Å; L157-A391 HydrophobicContact CD1-CB 3.97Å; L157-G392 CarbonylContact C-O 3.54Å; L157-G392 WeakPolarHBondContact CA-O 3.29Å
158	G	97.8	Very high	98.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	164.6	178.3	0	0	0	0	0	114.5	E160 P162 G392	G158-E160 VanDerWaalsContact C-N 3.28Å; G158-P162 WeakPolarHBondContact O-CB 3.41Å; G158-G392 PolarHBondContact N-O 3.43Å
159	N	98	Very high	98.4	Very high	15 Å²	15	27.6 Å²	27.6	8%	0.08	14%	0.141	C	C	.	.	S	Bend	trans	-68.7	-34.2	171.7	-175.8	55.8	0	0	0	111	A187 I197 E200 F201 Q204	N159-A187 HydrophobicContact CB-CB 4.39Å; N159-A187 WeakPolarHBondContact CB-O 3.12Å; N159-A187 PolarHBondContact N-O 2.88Å; N159-I197 HydrophobicContact CB-CG2 4.05Å; N159-E200 PolarHBondContact ND2-OE2 2.88Å; N159-E200 VanDerWaalsContact OD1-CB 3.3Å; N159-E200 WeakPolarHBondContact OD1-CB 3.4Å; N159-F201 HydrophobicContact CB-CB 4.25Å; N159-F201 PolarHBondContact OD1-N 3.17Å; N159-Q204 PolarHBondContact O-NE2 3.4Å; N159-Q204 PolarHBondContact OD1-NE2 2.83Å
160	E	97.9	Very high	98.4	Very high	112 Å²	112	33.9 Å²	33.9	52%	0.523	17%	0.168	S	C	.	.	S	Bend	trans	-99.1	141.2	172.1	-67.7	-175.6	-116.9	0	0	110.3	G158 C393 R394	G158-E160 VanDerWaalsContact C-N 3.28Å; E160-C393 CarbonylContact O-C 3.54Å; E160-C393 WeakPolarHBondContact O-CA 3.21Å; E160-R394 HydrophobicContact CB-CB 4.06Å; E160-R394 PolarHBondContact O-N 3.33Å
161	N	97.9	Very high	98.4	Very high	50 Å²	50	30.6 Å²	30.6	27%	0.267	16%	0.156	S	C	.	.	S	Bend	trans	56.4	43.4	-177.8	-168.2	51.9	0	0	0	115.5	Q163 G392 C393 Y415	N161-Q163 VanDerWaalsContact C-N 3.28Å; N161-Q163 PolarHBondContact O-N 3.3Å; N161-Q163 PolarHBondContact OD1-NE2 2.96Å; N161-G392 CarbonylContact O-C 3.29Å; N161-G392 VanDerWaalsContact O-CA 3.31Å; N161-G392 WeakPolarHBondContact O-CA 3.48Å; N161-C393 WeakPolarHBondContact CB-O 3.38Å; N161-C393 PolarHBondContact ND2-O 3Å; N161-Y415 PolarHBondContact ND2-OH 3.28Å; N161-Y415 VanDerWaalsContact ND2-OH 3.07Å
162	P	97.7	Very high	98.4	Very high	35 Å²	35	30.9 Å²	30.9	23%	0.227	16%	0.158	C	C	.	.			trans	-76.3	71.9	-179.9	33.3	-37.3	0	0	0	112.3	L157 G158 S164 L165	L157-P162 HydrophobicContact CD1-CB 3.77Å; L157-P162 HydrophobicContact CG-CB 4.4Å; G158-P162 WeakPolarHBondContact O-CB 3.41Å; P162-S164 VanDerWaalsContact C-N 3.34Å; P162-S164 PolarHBondContact O-N 3.13Å; P162-L165 HydrophobicContact CB-CB 3.84Å; P162-L165 HydrophobicContact CB-CD2 4.09Å; P162-L165 HydrophobicContact CG-CB 4.43Å; P162-L165 HydrophobicContact CG-CD2 4.09Å; P162-L165 WeakPolarHBondContact O-CB 3.31Å; P162-L165 PolarHBondContact O-N 2.84Å
163	Q	98.4	Very high	98.3	Very high	81 Å²	81	35.6 Å²	35.6	38%	0.379	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-41.6	-168.7	-69.6	-64	-37.3	0	0	113.4	N161 L165 A391 Y415	N161-Q163 VanDerWaalsContact C-N 3.28Å; N161-Q163 PolarHBondContact O-N 3.3Å; N161-Q163 PolarHBondContact OD1-NE2 2.96Å; Q163-L165 PolarHBondContact O-N 3.38Å; Q163-A391 PolarHBondContact N-O 3.07Å; Q163-Y415 HydrophobicContact CB-CD1 4.02Å; Q163-Y415 HydrophobicContact CB-CD2 4.23Å; Q163-Y415 HydrophobicContact CB-CG 3.74Å; Q163-Y415 HydrophobicContact CG-CD1 3.87Å; Q163-Y415 HydrophobicContact CG-CD2 3.67Å; Q163-Y415 HydrophobicContact CG-CE1 4.14Å; Q163-Y415 HydrophobicContact CG-CE2 3.93Å; Q163-Y415 HydrophobicContact CG-CG 3.62Å
164	S	98.6	Very high	98.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-14.4	-178	-61	0	0	0	0	114.3	P162 A166 R167 L168 A391 G416 D435	P162-S164 VanDerWaalsContact C-N 3.34Å; P162-S164 PolarHBondContact O-N 3.13Å; S164-A166 PolarHBondContact O-N 2.91Å; S164-R167 PolarHBondContact O-N 2.78Å; S164-L168 WeakPolarHBondContact O-CG 3.41Å; S164-L168 PolarHBondContact O-N 3.37Å; S164-A391 WeakPolarHBondContact CB-O 3.24Å; S164-A391 PolarHBondContact N-O 3.4Å; S164-A391 WeakPolarHBondContact OG-CA 3.01Å; S164-A391 PolarHBondContact OG-O 2.88Å; S164-G416 VanDerWaalsContact OG-C 3.29Å; S164-G416 WeakPolarHBondContact OG-CA 3.46Å; S164-G416 PolarHBondContact OG-O 3.27Å; S164-D435 WeakPolarHBondContact CA-OD2 3.15Å; S164-D435 PolarHBondContact OG-OD2 2.81Å
165	L	98.6	Very high	98.2	Very high	15 Å²	15	43.1 Å²	43.1	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-58.7	-46.3	-169	175.7	65.3	0	0	0	112.9	L157 P162 Q163 R167 L168 Q169 Q204 I208	L157-L165 HydrophobicContact CD2-CD1 4.45Å; P162-L165 HydrophobicContact CB-CB 3.84Å; P162-L165 HydrophobicContact CB-CD2 4.09Å; P162-L165 HydrophobicContact CG-CB 4.43Å; P162-L165 HydrophobicContact CG-CD2 4.09Å; P162-L165 WeakPolarHBondContact O-CB 3.31Å; P162-L165 PolarHBondContact O-N 2.84Å; Q163-L165 PolarHBondContact O-N 3.38Å; L165-R167 VanDerWaalsContact C-N 3.27Å; L165-R167 PolarHBondContact O-N 3.07Å; L165-L168 PolarHBondContact O-N 3.16Å; L165-Q169 HydrophobicContact CD1-CG 4.1Å; L165-Q169 HydrophobicContact CG-CG 4.36Å; L165-Q169 WeakPolarHBondContact O-CB 3.21Å; L165-Q169 WeakPolarHBondContact O-CG 3.47Å; L165-Q169 PolarHBondContact O-N 2.78Å; L165-Q204 HydrophobicContact CD2-CB 4.05Å; L165-I208 HydrophobicContact CD1-CD1 3.7Å
166	A	98.2	Very high	98.1	Very high	70 Å²	70	46 Å²	46	58%	0.579	24%	0.243	S	C	*	.	H	α-helix	trans	-63	-34.9	-176.5	0	0	0	0	0	112.5	S164 K170	S164-A166 PolarHBondContact O-N 2.91Å; A166-K170 PolarHBondContact O-N 3.25Å
167	R	98.5	Very high	98.1	Very high	55 Å²	55	46.4 Å²	46.4	21%	0.208	25%	0.245	C	C	.	.	H	α-helix	trans	-77.1	-45.5	177.7	-167.6	178.4	-51.9	-68.2	-16.4	111.4	S164 L165 Q169 K170 E171 Y417 D435 G439	S164-R167 PolarHBondContact O-N 2.78Å; L165-R167 VanDerWaalsContact C-N 3.27Å; L165-R167 PolarHBondContact O-N 3.07Å; R167-Q169 VanDerWaalsContact C-N 3.26Å; R167-Q169 PolarHBondContact O-N 2.85Å; R167-K170 PolarHBondContact O-N 2.97Å; R167-K170 VanDerWaalsContact O-N 3.12Å; R167-E171 WeakPolarHBondContact CD-OE1 3.47Å; R167-E171 HydrophobicContact CG-CG 4.19Å; R167-E171 VanDerWaalsContact CG-OE1 3.26Å; R167-E171 WeakPolarHBondContact CG-OE1 3.39Å; R167-E171 WeakPolarHBondContact O-CB 3.35Å; R167-E171 WeakPolarHBondContact O-CG 3.45Å; R167-E171 PolarHBondContact O-N 2.76Å; R167-Y417 HydrophobicContact CB-CE1 4.17Å; R167-Y417 WeakPolarHBondContact CD-OH 3.45Å; R167-Y417 HydrophobicContact CG-CE1 4.19Å; R167-Y417 WeakPolarHBondContact CG-OH 3.31Å; R167-D435 IonicContact CZ-OD1 2.7Å; R167-D435 VanDerWaalsContact CZ-OD1 3.23Å; R167-D435 IonicContact NE-OD1 3.34Å; R167-D435 PolarHBondContact NE-OD1 3.41Å; R167-D435 IonicContact NH2-OD1 3.23Å; R167-D435 PolarHBondContact NH2-OD1 2.82Å; R167-G439 VanDerWaalsContact CZ-CA 3.4Å
168	L	98.8	Very high	98.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-55.1	-43.4	174.9	-72.8	166.9	0	0	0	111.5	A152 Y154 S164 L165 E171 T172 I208 Y417	A152-L168 HydrophobicContact CB-CD2 3.91Å; Y154-L168 HydrophobicContact CD1-CD1 3.87Å; Y154-L168 HydrophobicContact CD1-CD2 3.99Å; Y154-L168 HydrophobicContact CD2-CD1 4.49Å; Y154-L168 HydrophobicContact CE1-CD1 3.5Å; Y154-L168 VanDerWaalsContact CE1-CD1 3.5Å; Y154-L168 HydrophobicContact CE1-CD2 3.66Å; Y154-L168 HydrophobicContact CE1-CG 4.22Å; Y154-L168 HydrophobicContact CE2-CD1 4.18Å; Y154-L168 HydrophobicContact CG-CD1 4.36Å; S164-L168 WeakPolarHBondContact O-CG 3.41Å; S164-L168 PolarHBondContact O-N 3.37Å; L165-L168 PolarHBondContact O-N 3.16Å; L168-E171 PolarHBondContact O-N 3.44Å; L168-T172 VanDerWaalsContact O-CB 3.23Å; L168-T172 WeakPolarHBondContact O-CB 3.46Å; L168-T172 PolarHBondContact O-N 3.36Å; L168-T172 PolarHBondContact O-OG1 3.19Å; L168-I208 HydrophobicContact CB-CD1 3.59Å; L168-I208 HydrophobicContact CB-CG1 4.45Å; L168-Y417 HydrophobicContact CD2-CD1 4.16Å; L168-Y417 HydrophobicContact CD2-CD2 3.65Å; L168-Y417 HydrophobicContact CD2-CE1 4.2Å; L168-Y417 HydrophobicContact CD2-CE2 3.69Å; L168-Y417 HydrophobicContact CD2-CG 3.89Å; L168-Y417 HydrophobicContact CG-CD1 4.16Å; L168-Y417 HydrophobicContact CG-CE1 4.15Å; L168-Y417 HydrophobicContact CG-CG 4.34Å
169	Q	98.5	Very high	98.2	Very high	60 Å²	60	47.9 Å²	47.9	28%	0.28	25%	0.253	S	S	.	.	H	α-helix	trans	-55.6	-57.3	172.1	-77.6	172.6	-9.1	0	0	111.5	L165 R167 E171 T172 Q173 S207 I208	L165-Q169 HydrophobicContact CD1-CG 4.1Å; L165-Q169 HydrophobicContact CG-CG 4.36Å; L165-Q169 WeakPolarHBondContact O-CB 3.21Å; L165-Q169 WeakPolarHBondContact O-CG 3.47Å; L165-Q169 PolarHBondContact O-N 2.78Å; R167-Q169 VanDerWaalsContact C-N 3.26Å; R167-Q169 PolarHBondContact O-N 2.85Å; Q169-E171 VanDerWaalsContact C-N 3.3Å; Q169-E171 PolarHBondContact O-N 3.32Å; Q169-T172 PolarHBondContact O-N 2.98Å; Q169-Q173 VanDerWaalsContact O-CG 3.28Å; Q169-Q173 WeakPolarHBondContact O-CG 3.43Å; Q169-Q173 PolarHBondContact O-N 3.1Å; Q169-S207 WeakPolarHBondContact CG-OG 3.41Å; Q169-S207 PolarHBondContact NE2-OG 2.91Å; Q169-I208 HydrophobicContact CB-CG1 4.45Å; Q169-I208 HydrophobicContact CG-CD1 4.09Å; Q169-I208 HydrophobicContact CG-CG1 3.87Å
170	K	98.4	Very high	98.2	Very high	132 Å²	132	47.2 Å²	47.2	57%	0.574	25%	0.249	S	C	*	.	H	α-helix	trans	-56.4	-45.4	-177.9	-179.7	-177.1	176	-174	0	111.8	A166 R167 Q173 L174	A166-K170 PolarHBondContact O-N 3.25Å; R167-K170 PolarHBondContact O-N 2.97Å; R167-K170 VanDerWaalsContact O-N 3.12Å; K170-Q173 PolarHBondContact O-N 2.87Å; K170-L174 HydrophobicContact CG-CD1 4.16Å; K170-L174 VanDerWaalsContact O-CG 3.29Å; K170-L174 WeakPolarHBondContact O-CG 3.47Å; K170-L174 PolarHBondContact O-N 2.86Å; K170-L174 VanDerWaalsContact O-N 3.07Å
171	E	98.6	Very high	98.3	Very high	16 Å²	16	41.9 Å²	41.9	8%	0.075	22%	0.224	C	C	.	.	H	α-helix	trans	-75.1	-33.5	-174.4	-67.7	-176	-178.4	0	0	112.6	R167 L168 Q169 L174 G175 M176 Y177 Y417 R419	R167-E171 WeakPolarHBondContact CD-OE1 3.47Å; R167-E171 HydrophobicContact CG-CG 4.19Å; R167-E171 VanDerWaalsContact CG-OE1 3.26Å; R167-E171 WeakPolarHBondContact CG-OE1 3.39Å; R167-E171 WeakPolarHBondContact O-CB 3.35Å; R167-E171 WeakPolarHBondContact O-CG 3.45Å; R167-E171 PolarHBondContact O-N 2.76Å; L168-E171 PolarHBondContact O-N 3.44Å; Q169-E171 VanDerWaalsContact C-N 3.3Å; Q169-E171 PolarHBondContact O-N 3.32Å; E171-L174 PolarHBondContact O-N 2.97Å; E171-G175 PolarHBondContact O-N 3.11Å; E171-M176 HydrophobicContact CB-CB 4.23Å; E171-M176 HydrophobicContact CB-CE 4.49Å; E171-M176 HydrophobicContact CB-CG 4.27Å; E171-M176 HydrophobicContact CB-SD 3.61Å; E171-M176 HydrophobicContact CG-CE 4.31Å; E171-M176 HydrophobicContact CG-SD 3.51Å; E171-M176 VanDerWaalsContact CG-SD 3.51Å; E171-M176 WeakPolarHBondContact O-CB 3.45Å; E171-M176 WeakPolarHBondContact O-CG 3.24Å; E171-M176 PolarHBondContact O-N 2.83Å; E171-Y177 HydrophobicContact CB-CE2 3.58Å; E171-Y177 PolarHBondContact OE2-OH 2.95Å; E171-Y417 PolarHBondContact OE1-OH 3.49Å; E171-Y417 PolarHBondContact OE2-OH 3.21Å; E171-R419 IonicContact OE1-CZ 3.81Å; E171-R419 IonicContact OE1-NH2 3.53Å; E171-R419 PolarHBondContact OE1-NH2 2.59Å; E171-R419 IonicContact OE2-CZ 3.51Å; E171-R419 IonicContact OE2-NE 2.92Å; E171-R419 PolarHBondContact OE2-NE 2.86Å; E171-R419 IonicContact OE2-NH2 3.92Å; E171-R419 PolarHBondContact OE2-NH2 2.79Å
172	T	98.4	Very high	98.3	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.043	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-47.7	169	-62	0	0	0	0	110.9	L168 Q169 L174 G175 I208 V212	L168-T172 VanDerWaalsContact O-CB 3.23Å; L168-T172 WeakPolarHBondContact O-CB 3.46Å; L168-T172 PolarHBondContact O-N 3.36Å; L168-T172 PolarHBondContact O-OG1 3.19Å; Q169-T172 PolarHBondContact O-N 2.98Å; T172-L174 PolarHBondContact O-N 3.46Å; T172-G175 PolarHBondContact O-N 3.16Å; T172-I208 HydrophobicContact CG2-CG2 4.21Å; T172-V212 HydrophobicContact CG2-CB 4.34Å; T172-V212 HydrophobicContact CG2-CG2 3.65Å
173	Q	96.6	Very high	98.4	Very high	99 Å²	99	37.8 Å²	37.8	46%	0.463	20%	0.2	S	C	.	.	H	α-helix	trans	-66.2	-22.5	177.9	-63.9	-59.1	-41.3	0	0	113.3	Q169 K170 G175 S207	Q169-Q173 VanDerWaalsContact O-CG 3.28Å; Q169-Q173 WeakPolarHBondContact O-CG 3.43Å; Q169-Q173 PolarHBondContact O-N 3.1Å; K170-Q173 PolarHBondContact O-N 2.87Å; Q173-G175 VanDerWaalsContact C-N 3.28Å; Q173-S207 PolarHBondContact NE2-O 3.26Å; Q173-S207 VanDerWaalsContact NE2-O 3.11Å
174	L	97.4	Very high	98.4	Very high	118 Å²	118	34 Å²	34	62%	0.618	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-0.6	172.2	-70.2	171.4	0	0	0	113.4	K170 E171 T172 M176	K170-L174 HydrophobicContact CG-CD1 4.16Å; K170-L174 VanDerWaalsContact O-CG 3.29Å; K170-L174 WeakPolarHBondContact O-CG 3.47Å; K170-L174 PolarHBondContact O-N 2.86Å; K170-L174 VanDerWaalsContact O-N 3.07Å; E171-L174 PolarHBondContact O-N 2.97Å; T172-L174 PolarHBondContact O-N 3.46Å; L174-M176 VanDerWaalsContact C-N 3.34Å; L174-M176 HydrophobicContact CB-CG 4.12Å
175	G	97	Very high	98.4	Very high	40 Å²	40	34 Å²	34	41%	0.412	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	29.2	-179.3	0	0	0	0	0	113.5	R150 E171 T172 Q173 Y177	R150-G175 PolarHBondContact NH1-O 2.85Å; R150-G175 PolarHBondContact NH2-O 3.41Å; E171-G175 PolarHBondContact O-N 3.11Å; T172-G175 PolarHBondContact O-N 3.16Å; Q173-G175 VanDerWaalsContact C-N 3.28Å; G175-Y177 VanDerWaalsContact C-N 3.29Å
176	M	98.3	Very high	98.4	Very high	60 Å²	60	33.3 Å²	33.3	30%	0.296	18%	0.179	S	C	.	.			trans	-74.3	-20.6	-179.3	-67.6	-174.6	56.2	0	0	113.3	R150 E171 L174	R150-M176 PolarHBondContact NH1-O 3.41Å; E171-M176 HydrophobicContact CB-CB 4.23Å; E171-M176 HydrophobicContact CB-CE 4.49Å; E171-M176 HydrophobicContact CB-CG 4.27Å; E171-M176 HydrophobicContact CB-SD 3.61Å; E171-M176 HydrophobicContact CG-CE 4.31Å; E171-M176 HydrophobicContact CG-SD 3.51Å; E171-M176 VanDerWaalsContact CG-SD 3.51Å; E171-M176 WeakPolarHBondContact O-CB 3.45Å; E171-M176 WeakPolarHBondContact O-CG 3.24Å; E171-M176 PolarHBondContact O-N 2.83Å; L174-M176 VanDerWaalsContact C-N 3.34Å; L174-M176 HydrophobicContact CB-CG 4.12Å
177	Y	98.6	Very high	98.4	Very high	10 Å²	10	30 Å²	30	4%	0.039	15%	0.152	C	C	.	.			trans	-123	144.8	-173.9	-52	-55.7	0	0	0	112	A152 E171 G175 I180 Y417 R419	A152-Y177 HydrophobicContact CB-CD1 3.91Å; A152-Y177 HydrophobicContact CB-CD2 4.05Å; A152-Y177 HydrophobicContact CB-CE1 3.76Å; A152-Y177 HydrophobicContact CB-CE2 3.91Å; A152-Y177 HydrophobicContact CB-CG 4.05Å; E171-Y177 HydrophobicContact CB-CE2 3.58Å; E171-Y177 PolarHBondContact OE2-OH 2.95Å; G175-Y177 VanDerWaalsContact C-N 3.29Å; Y177-I180 HydrophobicContact CD2-CD1 3.96Å; Y177-I180 HydrophobicContact CG-CD1 4.16Å; Y177-Y417 WeakPolarHBondContact OH-CE2 3.31Å; Y177-R419 HydrophobicContact CE1-CG 4Å; Y177-R419 WeakPolarHBondContact OH-CD 3.35Å; Y177-R419 PolarHBondContact OH-NE 3.47Å
178	D	98.6	Very high	98.4	Very high	30 Å²	30	27.5 Å²	27.5	16%	0.16	14%	0.143	C	C	.	.	S	Bend	trans	-100.6	-26.5	171.9	-51.6	-59.2	0	0	0	110.7	F147 R150 P213	F147-D178 HydrophobicContact CE1-CB 4.31Å; F147-D178 HydrophobicContact CZ-CB 4.12Å; R150-D178 WeakPolarHBondContact CB-OD2 3.4Å; R150-D178 IonicContact CZ-OD1 3.05Å; R150-D178 IonicContact CZ-OD2 3.32Å; R150-D178 PolarHBondContact N-OD2 3.33Å; R150-D178 IonicContact NE-OD1 2.69Å; R150-D178 IonicContact NE-OD2 3.76Å; R150-D178 PolarHBondContact NE-OD2 3.25Å; R150-D178 VanDerWaalsContact NE-OD2 3.15Å; R150-D178 IonicContact NH2-OD1 3.71Å; R150-D178 PolarHBondContact NH2-OD1 3.41Å; R150-D178 IonicContact NH2-OD2 3.32Å; R150-D178 PolarHBondContact O-N 3.48Å; D178-P213 WeakPolarHBondContact O-CD 3.45Å; D178-P213 WeakPolarHBondContact O-CG 3.45Å
179	V	98.6	Very high	98.3	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	148.5	177	-176.1	0	0	0	0	110.3	L141 R150 F151 A152 L181 P213 M215 L249	L141-V179 HydrophobicContact CD2-CG2 3.96Å; R150-V179 PolarHBondContact O-N 3.01Å; F151-V179 VanDerWaalsContact CA-O 3.31Å; F151-V179 WeakPolarHBondContact CA-O 3.49Å; F151-V179 HydrophobicContact CD1-CB 3.72Å; F151-V179 HydrophobicContact CD1-CG1 4.16Å; F151-V179 HydrophobicContact CD1-CG2 4.48Å; F151-V179 HydrophobicContact CE1-CB 3.86Å; F151-V179 HydrophobicContact CE1-CG1 4.27Å; F151-V179 HydrophobicContact CE1-CG2 4.15Å; A152-V179 PolarHBondContact N-O 2.8Å; V179-L181 HydrophobicContact CG1-CD2 3.84Å; V179-P213 HydrophobicContact CB-CG 4.49Å; V179-P213 HydrophobicContact CG2-CG 4.06Å; V179-M215 HydrophobicContact CG1-CB 4.45Å; V179-M215 HydrophobicContact CG1-CG 3.59Å; V179-L249 HydrophobicContact CG2-CD2 3.43Å; V179-L249 VanDerWaalsContact CG2-CD2 3.43Å
180	I	98.9	Very high	98.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.5	166.4	-54.1	-63	0	0	0	109.2	A152 Y154 Y177 I208 V212 P213 Y214 M215	A152-I180 HydrophobicContact CB-CD1 3.6Å; Y154-I180 HydrophobicContact CE1-CG2 3.58Å; Y154-I180 WeakPolarHBondContact OH-CG2 3.42Å; Y177-I180 HydrophobicContact CD2-CD1 3.96Å; Y177-I180 HydrophobicContact CG-CD1 4.16Å; I180-I208 HydrophobicContact CD1-CG2 4.13Å; I180-I208 HydrophobicContact CG1-CG2 3.84Å; I180-V212 HydrophobicContact CD1-CG1 4.43Å; I180-V212 HydrophobicContact CG1-CB 4.35Å; I180-V212 HydrophobicContact CG1-CG1 3.93Å; I180-P213 PolarHBondContact N-O 3.25Å; I180-Y214 HydrophobicContact CB-CD2 3.89Å; I180-Y214 HydrophobicContact CB-CE2 4.26Å; I180-Y214 HydrophobicContact CB-CG 4.41Å; I180-Y214 HydrophobicContact CG1-CD2 4.19Å; I180-Y214 HydrophobicContact CG2-CD2 3.82Å; I180-Y214 HydrophobicContact CG2-CE2 3.67Å; I180-Y214 HydrophobicContact CG2-CG 4.47Å; I180-M215 PolarHBondContact O-N 2.86Å
181	L	98.9	Very high	98.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.2	167.3	-49.6	-168.2	0	0	0	108.8	F151 A152 L153 Y154 V179 M215 W247 M301 L350	F151-L181 HydrophobicContact CD1-CD1 4.31Å; F151-L181 HydrophobicContact CD1-CD2 4.2Å; F151-L181 HydrophobicContact CD1-CG 4.09Å; A152-L181 PolarHBondContact O-N 2.82Å; L153-L181 HydrophobicContact CD2-CB 3.68Å; L153-L181 HydrophobicContact CD2-CD1 3.46Å; L153-L181 VanDerWaalsContact CD2-CD1 3.46Å; L153-L181 HydrophobicContact CD2-CG 3.53Å; Y154-L181 PolarHBondContact N-O 2.88Å; Y154-L181 VanDerWaalsContact N-O 3.14Å; V179-L181 HydrophobicContact CG1-CD2 3.84Å; L181-M215 WeakPolarHBondContact CA-O 3.25Å; L181-M215 HydrophobicContact CD2-CB 3.88Å; L181-M215 HydrophobicContact CD2-CG 4.35Å; L181-W247 HydrophobicContact CD2-CH2 4.1Å; L181-W247 HydrophobicContact CD2-CZ2 3.63Å; L181-M301 HydrophobicContact CB-CE 4.31Å; L181-M301 HydrophobicContact CB-SD 4.06Å; L181-M301 HydrophobicContact CD1-SD 4.09Å; L181-M301 HydrophobicContact CD2-SD 4.25Å; L181-M301 HydrophobicContact CG-SD 4.36Å; L181-L350 HydrophobicContact CD1-CD1 4.02Å
182	H	98.9	Very high	98.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	107.4	174.1	-167.5	-162.8	0	0	0	110.3	Y154 G184 F186 F201 Y214 M215 T216 C217	Y154-H182 AromaticContact CD2-CD2 3.36Å; Y154-H182 WeakPolarHBondContact CD2-CD2 3.43Å; Y154-H182 AromaticContact CD2-NE2 3.77Å; Y154-H182 HydrophobicContact CE2-CB 4.18Å; Y154-H182 AromaticContact CE2-CD2 3.38Å; Y154-H182 WeakPolarHBondContact CE2-CD2 3.3Å; Y154-H182 AromaticContact CE2-CG 3.69Å; Y154-H182 AromaticContact CE2-NE2 3.74Å; Y154-H182 CarbonylContact O-C 3.5Å; Y154-H182 VanDerWaalsContact O-CA 3.25Å; Y154-H182 WeakPolarHBondContact O-CA 3.26Å; Y154-H182 PolarHBondContact O-CD2 2.85Å; H182-G184 PolarHBondContact O-N 2.72Å; H182-F186 HydrophobicContact CB-CE1 4.18Å; H182-F186 HydrophobicContact CB-CZ 4.07Å; H182-F186 AromaticContact CE1-CD1 3.47Å; H182-F186 VanDerWaalsContact CE1-CD1 3.47Å; H182-F186 WeakPolarHBondContact CE1-CD1 3.48Å; H182-F186 AromaticContact CE1-CE1 3.63Å; H182-F186 AromaticContact CE1-CG 3.86Å; H182-F186 AromaticContact CG-CE1 3.74Å; H182-F186 AromaticContact CG-CZ 3.78Å; H182-F186 AromaticContact ND1-CD1 3.24Å; H182-F186 WeakPolarHBondContact ND1-CD1 3.42Å; H182-F186 AromaticContact ND1-CE1 2.91Å; H182-F186 WeakPolarHBondContact ND1-CE1 3.25Å; H182-F186 AromaticContact ND1-CZ 3.4Å; H182-F186 WeakPolarHBondContact ND1-CZ 3.49Å; H182-F201 AromaticContact CE1-CZ 3.81Å; H182-Y214 HydrophobicContact CB-CD1 4.21Å; H182-Y214 HydrophobicContact CB-CE1 3.26Å; H182-Y214 WeakPolarHBondContact CB-OH 3.47Å; H182-Y214 AromaticContact CG-CE1 3.78Å; H182-Y214 AromaticContact CG-CZ 3.84Å; H182-Y214 AromaticContact ND1-CE1 3.59Å; H182-Y214 AromaticContact ND1-CZ 3.65Å; H182-Y214 PolarHBondContact ND1-OH 2.79Å; H182-M215 PolarHBondContact N-O 2.79Å; H182-T216 HydrophobicContact CB-CG2 4.41Å; H182-T216 WeakPolarHBondContact O-CA 3.36Å; H182-C217 PolarHBondContact O-N 2.96Å
183	I	98.9	Very high	98.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	63.7	-163.2	-46.1	172.4	0	0	0	110.1	Y154 C217 M301 G302 H303 L350 A352 T388	Y154-I183 PolarHBondContact O-N 2.81Å; I183-C217 VanDerWaalsContact CA-SG 3.58Å; I183-C217 VanDerWaalsContact CG2-SG 3.59Å; I183-M301 HydrophobicContact CB-CE 4.28Å; I183-M301 HydrophobicContact CG1-CB 4.45Å; I183-M301 HydrophobicContact CG1-CE 3.86Å; I183-M301 HydrophobicContact CG2-CB 4.44Å; I183-M301 HydrophobicContact CG2-CE 4.44Å; I183-G302 WeakPolarHBondContact CG2-O 3.15Å; I183-H303 PolarHBondContact O-ND1 3.05Å; I183-L350 HydrophobicContact CD1-CB 3.82Å; I183-A352 HydrophobicContact CB-CB 3.84Å; I183-A352 HydrophobicContact CG2-CB 3.86Å; I183-A352 WeakPolarHBondContact O-CB 3.35Å; I183-T388 HydrophobicContact CD1-CG2 4.04Å
184	G	98.6	Very high	98.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	80.7	168.1	174.3	0	0	0	0	0	115.6	D156 H182 C217 H303	D156-G184 PolarHBondContact N-O 3.3Å; H182-G184 PolarHBondContact O-N 2.72Å; G184-C217 WeakPolarHBondContact CA-O 3.3Å; G184-C217 PolarHBondContact N-O 3.02Å; G184-C217 VanDerWaalsContact N-O 3.13Å; G184-H303 WeakPolarHBondContact CA-ND1 3.31Å
185	D	98.8	Very high	98.3	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.101	C	C	.	.			trans	55.8	84.9	179.3	-73.6	-3.7	0	0	0	114.5	D156 L157 Y188 G219 N220 H221 E222 H303 H353	D156-D185 WeakPolarHBondContact CA-O 3.45Å; L157-D185 PolarHBondContact N-O 2.99Å; D185-Y188 HydrophobicContact CB-CE1 4.33Å; D185-Y188 HydrophobicContact CB-CE2 3.86Å; D185-Y188 VanDerWaalsContact CB-OH 3.29Å; D185-Y188 WeakPolarHBondContact CB-OH 3.33Å; D185-Y188 VanDerWaalsContact O-CE2 3.32Å; D185-Y188 WeakPolarHBondContact O-CE2 3.36Å; D185-G219 VanDerWaalsContact OD1-CA 3.3Å; D185-G219 WeakPolarHBondContact OD1-CA 3.42Å; D185-N220 PolarHBondContact OD1-N 3.36Å; D185-N220 PolarHBondContact OD2-ND2 3.04Å; D185-H221 HydrophobicContact CB-CB 4.34Å; D185-H221 VanDerWaalsContact CG-CD2 3.4Å; D185-H221 WeakPolarHBondContact OD1-CB 3.44Å; D185-H221 IonicContact OD1-CD2 2.81Å; D185-H221 IonicContact OD1-CG 3.44Å; D185-H221 PolarHBondContact OD1-N 3.17Å; D185-H221 IonicContact OD2-CD2 2.72Å; D185-H221 PolarHBondContact OD2-CD2 2.66Å; D185-E222 WeakPolarHBondContact CA-OE2 3.37Å; D185-E222 PolarHBondContact N-OE2 3.23Å; D185-H303 IonicContact OD1-CD2 3.56Å; D185-H303 IonicContact OD1-CE1 3.72Å; D185-H303 IonicContact OD1-NE2 3.21Å; D185-H303 PolarHBondContact OD1-NE2 3.2Å; D185-H303 IonicContact OD2-CE1 3.02Å; D185-H303 PolarHBondContact OD2-CE1 3.19Å; D185-H303 VanDerWaalsContact OD2-CE1 3.24Å; D185-H303 IonicContact OD2-NE2 2.63Å; D185-H303 PolarHBondContact OD2-NE2 3.29Å; D185-H353 IonicContact OD2-ND1 3.67Å
186	F	98.7	Very high	98.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	137.3	-175.4	-60.7	-116.4	0	0	0	110.1	H182 Y188 M190 F201 Y214 T216 C217 E222 Y230 F234	H182-F186 HydrophobicContact CB-CE1 4.18Å; H182-F186 HydrophobicContact CB-CZ 4.07Å; H182-F186 AromaticContact CE1-CD1 3.47Å; H182-F186 VanDerWaalsContact CE1-CD1 3.47Å; H182-F186 WeakPolarHBondContact CE1-CD1 3.48Å; H182-F186 AromaticContact CE1-CE1 3.63Å; H182-F186 AromaticContact CE1-CG 3.86Å; H182-F186 AromaticContact CG-CE1 3.74Å; H182-F186 AromaticContact CG-CZ 3.78Å; H182-F186 AromaticContact ND1-CD1 3.24Å; H182-F186 WeakPolarHBondContact ND1-CD1 3.42Å; H182-F186 AromaticContact ND1-CE1 2.91Å; H182-F186 WeakPolarHBondContact ND1-CE1 3.25Å; H182-F186 AromaticContact ND1-CZ 3.4Å; H182-F186 WeakPolarHBondContact ND1-CZ 3.49Å; F186-Y188 PolarHBondContact O-N 2.86Å; F186-M190 HydrophobicContact CB-CE 3.29Å; F186-M190 HydrophobicContact CB-CG 4.22Å; F186-M190 HydrophobicContact CB-SD 4.4Å; F186-M190 HydrophobicContact CD1-CE 3.85Å; F186-M190 HydrophobicContact CG-CE 3.79Å; F186-F201 HydrophobicContact CB-CD1 4.42Å; F186-F201 HydrophobicContact CB-CE1 4.01Å; F186-F201 HydrophobicContact CB-CZ 4.31Å; F186-F201 AromaticContact CD1-CE1 3.71Å; F186-F201 HydrophobicContact CD1-CE1 3.71Å; F186-F201 HydrophobicContact CD1-CZ 4.1Å; F186-F201 HydrophobicContact CG-CE1 4.35Å; F186-Y214 HydrophobicContact CE1-CE1 4.12Å; F186-T216 HydrophobicContact CE1-CG2 3.76Å; F186-T216 HydrophobicContact CZ-CG2 3.55Å; F186-C217 WeakPolarHBondContact CE2-O 3.36Å; F186-E222 WeakPolarHBondContact CB-OE1 3.37Å; F186-E222 VanDerWaalsContact CD2-CD 3.48Å; F186-E222 HydrophobicContact CD2-CG 4.2Å; F186-E222 WeakPolarHBondContact CD2-OE2 3.19Å; F186-E222 PolarHBondContact N-OE1 3.36Å; F186-Y230 HydrophobicContact CE2-CD2 4.37Å; F186-Y230 HydrophobicContact CE2-CE2 4.18Å; F186-Y230 HydrophobicContact CZ-CE2 4.41Å; F186-F234 HydrophobicContact CD1-CE1 4.34Å; F186-F234 AromaticContact CD1-CE2 3.92Å; F186-F234 HydrophobicContact CD1-CE2 3.92Å; F186-F234 AromaticContact CD1-CZ 3.43Å; F186-F234 HydrophobicContact CD1-CZ 3.43Å; F186-F234 VanDerWaalsContact CD1-CZ 3.43Å; F186-F234 AromaticContact CE1-CE1 3.88Å; F186-F234 HydrophobicContact CE1-CE1 3.88Å; F186-F234 AromaticContact CE1-CE2 3.87Å; F186-F234 HydrophobicContact CE1-CE2 3.87Å; F186-F234 AromaticContact CE1-CZ 3.34Å; F186-F234 HydrophobicContact CE1-CZ 3.34Å; F186-F234 HydrophobicContact CG-CE2 4.41Å; F186-F234 HydrophobicContact CG-CZ 4.32Å; F186-F234 HydrophobicContact CZ-CE2 4.38Å; F186-F234 HydrophobicContact CZ-CZ 4.21Å
187	A	98.4	Very high	98.3	Very high	2 Å²	2	18 Å²	18	2%	0.017	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.7	-37.8	171.8	0	0	0	0	0	116.3	L157 N159 M190 I197 F201	L157-A187 PolarHBondContact O-N 3.5Å; N159-A187 HydrophobicContact CB-CB 4.39Å; N159-A187 WeakPolarHBondContact CB-O 3.12Å; N159-A187 PolarHBondContact N-O 2.88Å; A187-M190 HydrophobicContact CB-CG 3.87Å; A187-I197 HydrophobicContact CB-CG2 4.11Å; A187-F201 HydrophobicContact CB-CB 3.39Å; A187-F201 HydrophobicContact CB-CD1 4.16Å; A187-F201 HydrophobicContact CB-CD2 3.96Å; A187-F201 HydrophobicContact CB-CG 3.54Å
188	Y	98	Very high	98.3	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.008	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	71.1	-173.6	-66.2	-108	0	0	0	112.6	D156 D185 F186 H221 H355 C393 R394 E395	D156-Y188 WeakPolarHBondContact CA-OH 3.35Å; D156-Y188 HydrophobicContact CB-CE2 4.47Å; D156-Y188 WeakPolarHBondContact CB-OH 3.37Å; D156-Y188 VanDerWaalsContact CG-OH 3.32Å; D156-Y188 PolarHBondContact OD1-OH 3.01Å; D185-Y188 HydrophobicContact CB-CE1 4.33Å; D185-Y188 HydrophobicContact CB-CE2 3.86Å; D185-Y188 VanDerWaalsContact CB-OH 3.29Å; D185-Y188 WeakPolarHBondContact CB-OH 3.33Å; D185-Y188 VanDerWaalsContact O-CE2 3.32Å; D185-Y188 WeakPolarHBondContact O-CE2 3.36Å; F186-Y188 PolarHBondContact O-N 2.86Å; Y188-H221 AromaticContact CD1-CD2 3.9Å; Y188-H221 AromaticContact CD1-CE1 3.44Å; Y188-H221 VanDerWaalsContact CD1-CE1 3.44Å; Y188-H221 WeakPolarHBondContact CD1-CE1 3.42Å; Y188-H221 AromaticContact CD1-CG 3.8Å; Y188-H221 AromaticContact CD1-ND1 3.51Å; Y188-H221 AromaticContact CD1-NE2 3.73Å; Y188-H221 AromaticContact CE1-CD2 3.66Å; Y188-H221 AromaticContact CE1-CE1 3.82Å; Y188-H221 AromaticContact CE1-CG 3.99Å; Y188-H221 AromaticContact CE1-NE2 3.6Å; Y188-H355 AromaticContact CE1-NE2 3.86Å; Y188-H355 AromaticContact CZ-NE2 3.75Å; Y188-H355 PolarHBondContact OH-NE2 3.02Å; Y188-C393 HydrophobicContact CD1-CB 4.11Å; Y188-C393 HydrophobicContact CD2-CB 3.57Å; Y188-C393 HydrophobicContact CE1-CB 3.9Å; Y188-C393 HydrophobicContact CE2-CB 3.31Å; Y188-C393 HydrophobicContact CG-CB 3.96Å; Y188-C393 VanDerWaalsContact CZ-CB 3.48Å; Y188-R394 PolarHBondContact O-NE 3.44Å; Y188-R394 PolarHBondContact O-NH1 3.31Å; Y188-R394 PolarHBondContact O-NH2 2.71Å; Y188-E395 HydrophobicContact CD1-CG 4.09Å; Y188-E395 HydrophobicContact CE1-CG 4.3Å
189	D	97.9	Very high	98.3	Very high	21 Å²	21	16.2 Å²	16.2	11%	0.112	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	cis	-126.1	149.6	0.5	-57.8	2.2	0	0	0	109	H191 E192 I197 H221 R394	D189-H191 VanDerWaalsContact CB-ND1 3.35Å; D189-H191 WeakPolarHBondContact CB-ND1 3.48Å; D189-H191 PolarHBondContact O-N 3.39Å; D189-H191 IonicContact OD2-CE1 3.98Å; D189-H191 PolarHBondContact OD2-CE1 3.48Å; D189-H191 VanDerWaalsContact OD2-CE1 3.27Å; D189-H191 IonicContact OD2-ND1 3.23Å; D189-E192 HydrophobicContact CB-CG 4.16Å; D189-E192 WeakPolarHBondContact O-CB 3.38Å; D189-E192 PolarHBondContact O-N 2.93Å; D189-I197 WeakPolarHBondContact O-CG2 3.19Å; D189-H221 IonicContact OD1-CE1 3.81Å; D189-H221 IonicContact OD1-CG 3.52Å; D189-H221 IonicContact OD1-ND1 2.84Å; D189-H221 PolarHBondContact OD1-ND1 2.9Å; D189-H221 IonicContact OD2-ND1 3.1Å; D189-R394 IonicContact OD1-NH2 2.86Å; D189-R394 PolarHBondContact OD1-NH2 3.28Å
190	M	98.3	Very high	98.3	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.015	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.6	-177.4	-72.3	-159.4	170.6	0	0	114.6	F186 A187 E192 A195 G198 F201 M202 N229 F234	F186-M190 HydrophobicContact CB-CE 3.29Å; F186-M190 HydrophobicContact CB-CG 4.22Å; F186-M190 HydrophobicContact CB-SD 4.4Å; F186-M190 HydrophobicContact CD1-CE 3.85Å; F186-M190 HydrophobicContact CG-CE 3.79Å; A187-M190 HydrophobicContact CB-CG 3.87Å; M190-E192 VanDerWaalsContact C-N 3.35Å; M190-A195 VanDerWaalsContact O-CA 3.24Å; M190-A195 WeakPolarHBondContact O-CA 3.45Å; M190-G198 WeakPolarHBondContact O-CA 3.42Å; M190-G198 PolarHBondContact O-N 2.95Å; M190-G198 VanDerWaalsContact O-N 3.16Å; M190-F201 HydrophobicContact CE-CD1 4.01Å; M190-F201 HydrophobicContact CE-CE1 4.27Å; M190-M202 HydrophobicContact CE-SD 4.09Å; M190-N229 HydrophobicContact CB-CB 3.71Å; M190-N229 HydrophobicContact SD-CB 4.08Å; M190-F234 HydrophobicContact CE-CE2 3.5Å; M190-F234 VanDerWaalsContact CE-CE2 3.5Å; M190-F234 HydrophobicContact CE-CZ 3.6Å; M190-F234 HydrophobicContact SD-CE2 4.3Å
191	H	97.9	Very high	98.3	Very high	42 Å²	42	19.8 Å²	19.8	19%	0.194	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-16	-176.8	78.2	-83	0	0	0	113.6	D189 N194 A195 T224 Y225	D189-H191 VanDerWaalsContact CB-ND1 3.35Å; D189-H191 WeakPolarHBondContact CB-ND1 3.48Å; D189-H191 PolarHBondContact O-N 3.39Å; D189-H191 IonicContact OD2-CE1 3.98Å; D189-H191 PolarHBondContact OD2-CE1 3.48Å; D189-H191 VanDerWaalsContact OD2-CE1 3.27Å; D189-H191 IonicContact OD2-ND1 3.23Å; H191-N194 PolarHBondContact O-N 3.26Å; H191-A195 PolarHBondContact O-N 2.9Å; H191-T224 HydrophobicContact CB-CG2 4.16Å; H191-T224 PolarHBondContact CE1-OG1 2.97Å; H191-Y225 HydrophobicContact CB-CD2 4.43Å; H191-Y225 HydrophobicContact CB-CE2 4.35Å
192	E	98.2	Very high	98.3	Very high	57 Å²	57	19.8 Å²	19.8	27%	0.266	10%	0.095	S	C	.	.	H	α-helix	trans	-63.3	150.2	-176.3	-74.1	-177.2	178.7	0	0	112.2	D189 M190 N194 A195 R196 I197 R394	D189-E192 HydrophobicContact CB-CG 4.16Å; D189-E192 WeakPolarHBondContact O-CB 3.38Å; D189-E192 PolarHBondContact O-N 2.93Å; M190-E192 VanDerWaalsContact C-N 3.35Å; E192-N194 VanDerWaalsContact C-N 3.29Å; E192-N194 PolarHBondContact O-N 3.24Å; E192-A195 PolarHBondContact O-N 3.09Å; E192-R196 PolarHBondContact O-N 3.46Å; E192-I197 HydrophobicContact CB-CB 4.08Å; E192-I197 HydrophobicContact CB-CG1 3.68Å; E192-I197 PolarHBondContact O-N 2.94Å; E192-R394 VanDerWaalsContact CD-NH1 3.31Å; E192-R394 IonicContact OE1-CZ 2.83Å; E192-R394 VanDerWaalsContact OE1-CZ 3.32Å; E192-R394 IonicContact OE1-NH1 2.64Å; E192-R394 PolarHBondContact OE1-NH1 2.97Å; E192-R394 IonicContact OE1-NH2 2.88Å; E192-R394 PolarHBondContact OE1-NH2 3.12Å; E192-R394 IonicContact OE2-CZ 3.21Å; E192-R394 IonicContact OE2-NH1 2.83Å; E192-R394 PolarHBondContact OE2-NH1 2.65Å; E192-R394 IonicContact OE2-NH2 2.98Å
193	D	97.7	Very high	98.3	Very high	85 Å²	85	24.4 Å²	24.4	46%	0.455	11%	0.112	S	C	.	.	H	α-helix	trans	48.1	51.1	-172.1	-174	12	0	0	0	112.1	A195 R196 I197	D193-A195 VanDerWaalsContact C-N 3.29Å; D193-A195 PolarHBondContact O-N 3.14Å; D193-R196 HydrophobicContact CB-CB 4.1Å; D193-R196 VanDerWaalsContact O-CB 3.26Å; D193-R196 WeakPolarHBondContact O-CB 3.31Å; D193-R196 WeakPolarHBondContact O-CG 3.38Å; D193-R196 PolarHBondContact O-N 2.94Å; D193-R196 PolarHBondContact O-NH1 2.83Å; D193-R196 IonicContact OD1-CZ 3.14Å; D193-R196 IonicContact OD1-NH1 2.89Å; D193-R196 PolarHBondContact OD1-NH1 3.5Å; D193-R196 VanDerWaalsContact OD2-CD 3.29Å; D193-R196 WeakPolarHBondContact OD2-CD 3.36Å; D193-I197 HydrophobicContact CB-CG1 4.35Å
194	N	97.3	Very high	98.3	Very high	26 Å²	26	27.1 Å²	27.1	14%	0.139	13%	0.125	C	C	.	.	H	α-helix	trans	53.5	47.5	179.4	-55.3	-90.5	0	0	0	111.8	D98 E101 E102 R104 H191 E192 R196	D98-N194 WeakPolarHBondContact OD2-CA 3.39Å; E101-N194 PolarHBondContact N-OD1 3.26Å; E102-N194 HydrophobicContact CB-CB 4.13Å; E102-N194 HydrophobicContact CG-CB 4.41Å; E102-N194 PolarHBondContact N-OD1 3Å; E102-N194 PolarHBondContact OE1-ND2 2.7Å; R104-N194 VanDerWaalsContact CD-O 3.31Å; R104-N194 WeakPolarHBondContact CD-O 3.29Å; R104-N194 HydrophobicContact CG-CB 4.3Å; R104-N194 PolarHBondContact NH1-O 3.4Å; H191-N194 PolarHBondContact O-N 3.26Å; E192-N194 VanDerWaalsContact C-N 3.29Å; E192-N194 PolarHBondContact O-N 3.24Å; N194-R196 VanDerWaalsContact C-N 3.31Å; N194-R196 PolarHBondContact O-N 2.92Å
195	A	97.8	Very high	98.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	68	11	-175.4	0	0	0	0	0	117.6	D98 M106 M190 H191 E192 D193 G198 D199 N229 R233	D98-A195 HydrophobicContact CB-CB 3.97Å; M106-A195 HydrophobicContact CE-CB 4.16Å; M190-A195 VanDerWaalsContact O-CA 3.24Å; M190-A195 WeakPolarHBondContact O-CA 3.45Å; H191-A195 PolarHBondContact O-N 2.9Å; E192-A195 PolarHBondContact O-N 3.09Å; D193-A195 VanDerWaalsContact C-N 3.29Å; D193-A195 PolarHBondContact O-N 3.14Å; A195-G198 PolarHBondContact O-N 3.3Å; A195-D199 PolarHBondContact O-N 2.8Å; A195-D199 VanDerWaalsContact O-N 3.11Å; A195-N229 WeakPolarHBondContact CB-OD1 3.28Å; A195-R233 PolarHBondContact O-NH2 2.71Å
196	R	98.1	Very high	98.3	Very high	73 Å²	73	28.8 Å²	28.8	28%	0.275	13%	0.132	S	C	.	.	H	α-helix	trans	-70.3	-33.9	176.9	-71.2	179.8	-176.2	93.6	1.6	112.5	E102 E192 D193 N194 G198 D199 E200	E102-R196 IonicContact OE1-CZ 2.92Å; E102-R196 IonicContact OE1-NH1 3.96Å; E102-R196 PolarHBondContact OE1-NH1 3.15Å; E102-R196 IonicContact OE1-NH2 2.82Å; E102-R196 PolarHBondContact OE1-NH2 3.32Å; E102-R196 IonicContact OE2-CZ 2.81Å; E102-R196 IonicContact OE2-NH1 3.51Å; E102-R196 PolarHBondContact OE2-NH1 2.98Å; E102-R196 IonicContact OE2-NH2 3.48Å; E102-R196 PolarHBondContact OE2-NH2 3.34Å; E192-R196 PolarHBondContact O-N 3.46Å; D193-R196 HydrophobicContact CB-CB 4.1Å; D193-R196 VanDerWaalsContact O-CB 3.26Å; D193-R196 WeakPolarHBondContact O-CB 3.31Å; D193-R196 WeakPolarHBondContact O-CG 3.38Å; D193-R196 PolarHBondContact O-N 2.94Å; D193-R196 PolarHBondContact O-NH1 2.83Å; D193-R196 IonicContact OD1-CZ 3.14Å; D193-R196 IonicContact OD1-NH1 2.89Å; D193-R196 PolarHBondContact OD1-NH1 3.5Å; D193-R196 VanDerWaalsContact OD2-CD 3.29Å; D193-R196 WeakPolarHBondContact OD2-CD 3.36Å; N194-R196 VanDerWaalsContact C-N 3.31Å; N194-R196 PolarHBondContact O-N 2.92Å; R196-G198 VanDerWaalsContact C-N 3.31Å; R196-G198 PolarHBondContact O-N 2.68Å; R196-D199 WeakPolarHBondContact O-CB 3.15Å; R196-D199 PolarHBondContact O-N 2.76Å; R196-D199 VanDerWaalsContact O-N 3.12Å; R196-E200 WeakPolarHBondContact O-CG 2.91Å; R196-E200 PolarHBondContact O-N 3.24Å
197	I	98.4	Very high	98.2	Very high	25 Å²	25	30.6 Å²	30.6	13%	0.128	15%	0.145	C	C	.	.	H	α-helix	trans	-63.3	-40.4	174	-61.9	-55.7	0	0	0	110.6	N159 A187 D189 E192 D193 D199 E200 F201	N159-I197 HydrophobicContact CB-CG2 4.05Å; A187-I197 HydrophobicContact CB-CG2 4.11Å; D189-I197 WeakPolarHBondContact O-CG2 3.19Å; E192-I197 HydrophobicContact CB-CB 4.08Å; E192-I197 HydrophobicContact CB-CG1 3.68Å; E192-I197 PolarHBondContact O-N 2.94Å; D193-I197 HydrophobicContact CB-CG1 4.35Å; I197-D199 VanDerWaalsContact C-N 3.34Å; I197-D199 PolarHBondContact O-N 2.9Å; I197-E200 PolarHBondContact O-N 2.82Å; I197-F201 WeakPolarHBondContact O-CB 3.24Å; I197-F201 PolarHBondContact O-N 2.98Å
198	G	98.4	Very high	98.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.1	-41	170.7	0	0	0	0	0	113	M190 A195 R196 M202	M190-G198 WeakPolarHBondContact O-CA 3.42Å; M190-G198 PolarHBondContact O-N 2.95Å; M190-G198 VanDerWaalsContact O-N 3.16Å; A195-G198 PolarHBondContact O-N 3.3Å; R196-G198 VanDerWaalsContact C-N 3.31Å; R196-G198 PolarHBondContact O-N 2.68Å; G198-M202 WeakPolarHBondContact O-CB 3.42Å; G198-M202 WeakPolarHBondContact O-CG 3.44Å; G198-M202 PolarHBondContact O-N 2.98Å
199	D	98.6	Very high	98.3	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.011	14%	0.144	C	C	.	.	H	α-helix	trans	-64.6	-41.8	176.3	-63.1	-35.4	0	0	0	112.4	Q49 R104 A195 R196 I197 M202 R203 R233	Q49-D199 PolarHBondContact NE2-OD1 3.17Å; R104-D199 IonicContact CZ-OD2 3.88Å; R104-D199 VanDerWaalsContact CZ-OD2 3.28Å; R104-D199 IonicContact NH1-OD2 3.99Å; R104-D199 PolarHBondContact NH1-OD2 2.88Å; R104-D199 IonicContact NH2-OD2 3.98Å; R104-D199 PolarHBondContact NH2-OD2 3.19Å; A195-D199 PolarHBondContact O-N 2.8Å; A195-D199 VanDerWaalsContact O-N 3.11Å; R196-D199 WeakPolarHBondContact O-CB 3.15Å; R196-D199 PolarHBondContact O-N 2.76Å; R196-D199 VanDerWaalsContact O-N 3.12Å; I197-D199 VanDerWaalsContact C-N 3.34Å; I197-D199 PolarHBondContact O-N 2.9Å; D199-M202 PolarHBondContact O-N 2.75Å; D199-R203 WeakPolarHBondContact O-CG 3.48Å; D199-R203 PolarHBondContact O-N 3.16Å; D199-R233 IonicContact OD1-CZ 3.52Å; D199-R233 IonicContact OD1-NH1 3.29Å; D199-R233 PolarHBondContact OD1-NH1 3.08Å; D199-R233 IonicContact OD1-NH2 2.7Å; D199-R233 PolarHBondContact OD1-NH2 2.81Å
200	E	98.7	Very high	98.3	Very high	76 Å²	76	29.4 Å²	29.4	36%	0.355	14%	0.138	S	C	.	.	H	α-helix	trans	-61.2	-50	176.2	-71.6	177.2	-179.1	0	0	111.5	N159 R196 I197 M202 R203 Q204	N159-E200 PolarHBondContact ND2-OE2 2.88Å; N159-E200 VanDerWaalsContact OD1-CB 3.3Å; N159-E200 WeakPolarHBondContact OD1-CB 3.4Å; R196-E200 WeakPolarHBondContact O-CG 2.91Å; R196-E200 PolarHBondContact O-N 3.24Å; I197-E200 PolarHBondContact O-N 2.82Å; E200-M202 PolarHBondContact O-N 3.07Å; E200-R203 WeakPolarHBondContact O-CB 3.4Å; E200-R203 PolarHBondContact O-N 2.89Å; E200-Q204 WeakPolarHBondContact O-CG 3.38Å; E200-Q204 PolarHBondContact O-N 3.1Å
201	F	98.8	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-46.2	178	177.1	-93.6	0	0	0	112.1	L157 N159 H182 F186 A187 M190 I197 R203 Q204 I205	L157-F201 HydrophobicContact CB-CE2 4.36Å; L157-F201 HydrophobicContact CD2-CE2 4.27Å; L157-F201 HydrophobicContact CD2-CZ 4.5Å; L157-F201 HydrophobicContact CG-CE2 4.16Å; L157-F201 WeakPolarHBondContact O-CE2 3.37Å; N159-F201 HydrophobicContact CB-CB 4.25Å; N159-F201 PolarHBondContact OD1-N 3.17Å; H182-F201 AromaticContact CE1-CZ 3.81Å; F186-F201 HydrophobicContact CB-CD1 4.42Å; F186-F201 HydrophobicContact CB-CE1 4.01Å; F186-F201 HydrophobicContact CB-CZ 4.31Å; F186-F201 AromaticContact CD1-CE1 3.71Å; F186-F201 HydrophobicContact CD1-CE1 3.71Å; F186-F201 HydrophobicContact CD1-CZ 4.1Å; F186-F201 HydrophobicContact CG-CE1 4.35Å; A187-F201 HydrophobicContact CB-CB 3.39Å; A187-F201 HydrophobicContact CB-CD1 4.16Å; A187-F201 HydrophobicContact CB-CD2 3.96Å; A187-F201 HydrophobicContact CB-CG 3.54Å; M190-F201 HydrophobicContact CE-CD1 4.01Å; M190-F201 HydrophobicContact CE-CE1 4.27Å; I197-F201 WeakPolarHBondContact O-CB 3.24Å; I197-F201 PolarHBondContact O-N 2.98Å; F201-R203 VanDerWaalsContact C-N 3.28Å; F201-R203 PolarHBondContact O-N 2.89Å; F201-Q204 WeakPolarHBondContact O-CA 3.26Å; F201-Q204 WeakPolarHBondContact O-CB 3.44Å; F201-Q204 PolarHBondContact O-N 3.36Å; F201-I205 HydrophobicContact CD1-CG2 4.45Å; F201-I205 HydrophobicContact CD2-CG2 4.5Å; F201-I205 HydrophobicContact CE1-CD1 3.88Å; F201-I205 HydrophobicContact CE1-CG1 4.16Å; F201-I205 HydrophobicContact CE1-CG2 3.79Å; F201-I205 HydrophobicContact CE2-CG2 3.88Å; F201-I205 HydrophobicContact CZ-CG2 3.49Å; F201-I205 VanDerWaalsContact CZ-CG2 3.49Å; F201-I205 PolarHBondContact O-N 2.87Å
202	M	98.8	Very high	98.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-63.8	-34.2	178.9	-69	-59.4	-65.7	0	0	112.2	Q49 H51 M190 G198 D199 E200 I205 Q206 F234	Q49-M202 HydrophobicContact CB-CB 3.72Å; Q49-M202 HydrophobicContact CG-CB 3.58Å; H51-M202 WeakPolarHBondContact ND1-CE 3.29Å; M190-M202 HydrophobicContact CE-SD 4.09Å; G198-M202 WeakPolarHBondContact O-CB 3.42Å; G198-M202 WeakPolarHBondContact O-CG 3.44Å; G198-M202 PolarHBondContact O-N 2.98Å; D199-M202 PolarHBondContact O-N 2.75Å; E200-M202 PolarHBondContact O-N 3.07Å; M202-I205 HydrophobicContact CE-CD1 4.21Å; M202-I205 HydrophobicContact SD-CD1 3.88Å; M202-I205 HydrophobicContact SD-CG1 4.35Å; M202-Q206 PolarHBondContact O-N 3.06Å; M202-Q206 VanDerWaalsContact O-N 3.13Å; M202-F234 HydrophobicContact CE-CE1 4Å; M202-F234 HydrophobicContact CE-CZ 4.31Å; M202-F234 HydrophobicContact SD-CE1 4.01Å; M202-F234 HydrophobicContact SD-CZ 3.75Å
203	R	98.8	Very high	98.4	Very high	97 Å²	97	27.8 Å²	27.8	37%	0.366	13%	0.13	S	C	.	.	H	α-helix	trans	-66.8	-37.9	170	-74.5	-173.8	-65.3	-90.9	-4.1	112.3	E48 Q49 D199 E200 F201 Q206	E48-R203 IonicContact OE1-CZ 3.49Å; E48-R203 IonicContact OE1-NH1 3.5Å; E48-R203 PolarHBondContact OE1-NH1 3.03Å; E48-R203 IonicContact OE2-NH1 3.52Å; Q49-R203 HydrophobicContact CG-CG 4Å; D199-R203 WeakPolarHBondContact O-CG 3.48Å; D199-R203 PolarHBondContact O-N 3.16Å; E200-R203 WeakPolarHBondContact O-CB 3.4Å; E200-R203 PolarHBondContact O-N 2.89Å; F201-R203 VanDerWaalsContact C-N 3.28Å; F201-R203 PolarHBondContact O-N 2.89Å; R203-Q206 WeakPolarHBondContact O-CB 3.38Å
204	Q	98.2	Very high	98.5	Very high	57 Å²	57	23.8 Å²	23.8	27%	0.266	11%	0.108	S	C	.	.	H	α-helix	trans	-61.9	-49.7	176.1	-70.1	-177.5	1	0	0	111.2	N159 L165 E200 F201 Q206 S207	N159-Q204 PolarHBondContact O-NE2 3.4Å; N159-Q204 PolarHBondContact OD1-NE2 2.83Å; L165-Q204 HydrophobicContact CD2-CB 4.05Å; E200-Q204 WeakPolarHBondContact O-CG 3.38Å; E200-Q204 PolarHBondContact O-N 3.1Å; F201-Q204 WeakPolarHBondContact O-CA 3.26Å; F201-Q204 WeakPolarHBondContact O-CB 3.44Å; F201-Q204 PolarHBondContact O-N 3.36Å; Q204-Q206 VanDerWaalsContact C-N 3.33Å; Q204-Q206 PolarHBondContact O-N 3.44Å; Q204-S207 PolarHBondContact O-OG 3.12Å
205	I	98.6	Very high	98.5	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-76.6	-14	-176.9	67.4	157.1	0	0	0	114.2	L157 F201 M202 S207 I208 A209 Y214	L157-I205 HydrophobicContact CD2-CG2 4.23Å; F201-I205 HydrophobicContact CD1-CG2 4.45Å; F201-I205 HydrophobicContact CD2-CG2 4.5Å; F201-I205 HydrophobicContact CE1-CD1 3.88Å; F201-I205 HydrophobicContact CE1-CG1 4.16Å; F201-I205 HydrophobicContact CE1-CG2 3.79Å; F201-I205 HydrophobicContact CE2-CG2 3.88Å; F201-I205 HydrophobicContact CZ-CG2 3.49Å; F201-I205 VanDerWaalsContact CZ-CG2 3.49Å; F201-I205 PolarHBondContact O-N 2.87Å; M202-I205 HydrophobicContact CE-CD1 4.21Å; M202-I205 HydrophobicContact SD-CD1 3.88Å; M202-I205 HydrophobicContact SD-CG1 4.35Å; I205-S207 PolarHBondContact O-N 2.9Å; I205-S207 VanDerWaalsContact O-N 3.09Å; I205-I208 WeakPolarHBondContact O-CA 3.15Å; I205-I208 WeakPolarHBondContact O-CB 3.48Å; I205-I208 PolarHBondContact O-N 3.33Å; I205-A209 HydrophobicContact CD1-CB 4.37Å; I205-A209 WeakPolarHBondContact O-CB 3.32Å; I205-A209 PolarHBondContact O-N 3.2Å; I205-Y214 HydrophobicContact CD1-CE1 4.18Å; I205-Y214 HydrophobicContact CD1-CE2 4.39Å
206	Q	98.8	Very high	98.6	Very high	35 Å²	35	22.6 Å²	22.6	16%	0.164	10%	0.102	C	C	.	.	H	α-helix	trans	-51.3	-35.6	175.9	178.3	176.7	-70.2	0	0	112.4	V50 F136 M202 R203 Q204 I208 A210	V50-Q206 HydrophobicContact CB-CG 4.16Å; V50-Q206 WeakPolarHBondContact O-CG 3.31Å; F136-Q206 HydrophobicContact CE1-CG 4.49Å; F136-Q206 HydrophobicContact CZ-CG 4.34Å; M202-Q206 PolarHBondContact O-N 3.06Å; M202-Q206 VanDerWaalsContact O-N 3.13Å; R203-Q206 WeakPolarHBondContact O-CB 3.38Å; Q204-Q206 VanDerWaalsContact C-N 3.33Å; Q204-Q206 PolarHBondContact O-N 3.44Å; Q206-I208 PolarHBondContact O-N 3Å; Q206-I208 VanDerWaalsContact O-N 3.09Å; Q206-A210 HydrophobicContact CG-CB 4.14Å; Q206-A210 WeakPolarHBondContact O-CB 3.16Å; Q206-A210 PolarHBondContact O-N 3.21Å
207	S	97.6	Very high	98.6	Very high	37 Å²	37	19.1 Å²	19.1	26%	0.259	9%	0.089	S	C	.	.	H	α-helix	trans	-58.1	-18.1	175.2	57.3	0	0	0	0	115.1	Q169 Q173 Q204 I205	Q169-S207 WeakPolarHBondContact CG-OG 3.41Å; Q169-S207 PolarHBondContact NE2-OG 2.91Å; Q173-S207 PolarHBondContact NE2-O 3.26Å; Q173-S207 VanDerWaalsContact NE2-O 3.11Å; Q204-S207 PolarHBondContact O-OG 3.12Å; I205-S207 PolarHBondContact O-N 2.9Å; I205-S207 VanDerWaalsContact O-N 3.09Å
208	I	98.8	Very high	98.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-109.3	-56.1	174.3	-63.8	161.1	0	0	0	109.1	L165 L168 Q169 T172 I180 I205 Q206 A210 Y211 V212 Y214	L165-I208 HydrophobicContact CD1-CD1 3.7Å; L168-I208 HydrophobicContact CB-CD1 3.59Å; L168-I208 HydrophobicContact CB-CG1 4.45Å; Q169-I208 HydrophobicContact CB-CG1 4.45Å; Q169-I208 HydrophobicContact CG-CD1 4.09Å; Q169-I208 HydrophobicContact CG-CG1 3.87Å; T172-I208 HydrophobicContact CG2-CG2 4.21Å; I180-I208 HydrophobicContact CD1-CG2 4.13Å; I180-I208 HydrophobicContact CG1-CG2 3.84Å; I205-I208 WeakPolarHBondContact O-CA 3.15Å; I205-I208 WeakPolarHBondContact O-CB 3.48Å; I205-I208 PolarHBondContact O-N 3.33Å; Q206-I208 PolarHBondContact O-N 3Å; Q206-I208 VanDerWaalsContact O-N 3.09Å; I208-A210 VanDerWaalsContact C-N 3.29Å; I208-A210 PolarHBondContact O-N 3.26Å; I208-Y211 PolarHBondContact O-N 3.48Å; I208-V212 PolarHBondContact O-N 2.86Å; I208-Y214 HydrophobicContact CG2-CD2 4.26Å; I208-Y214 HydrophobicContact CG2-CE2 4.24Å
209	A	98.8	Very high	98.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-70.7	-20.2	-166.7	0	0	0	0	0	113.8	H51 L52 I205 Y211 Y214	H51-A209 CarbonylContact C-O 3.6Å; H51-A209 WeakPolarHBondContact CA-O 3.47Å; H51-A209 HydrophobicContact CB-CB 3.5Å; L52-A209 WeakPolarHBondContact CB-O 3.48Å; L52-A209 WeakPolarHBondContact CG-O 3.24Å; L52-A209 PolarHBondContact N-O 2.71Å; I205-A209 HydrophobicContact CD1-CB 4.37Å; I205-A209 WeakPolarHBondContact O-CB 3.32Å; I205-A209 PolarHBondContact O-N 3.2Å; A209-Y211 PolarHBondContact O-N 2.93Å; A209-Y214 HydrophobicContact CB-CD2 3.65Å; A209-Y214 HydrophobicContact CB-CE2 4.4Å; A209-Y214 HydrophobicContact CB-CG 3.92Å
210	A	98.8	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-4.1	172.1	0	0	0	0	0	113.6	V50 L52 Y124 F136 Q206 I208	V50-A210 HydrophobicContact CB-CB 4.28Å; V50-A210 HydrophobicContact CG1-CB 4.13Å; L52-A210 WeakPolarHBondContact CD1-O 3.4Å; Y124-A210 WeakPolarHBondContact CE1-O 3.29Å; Y124-A210 PolarHBondContact OH-O 3.48Å; F136-A210 HydrophobicContact CB-CB 4.42Å; F136-A210 HydrophobicContact CD1-CB 3.61Å; F136-A210 HydrophobicContact CD2-CB 4.29Å; F136-A210 HydrophobicContact CE1-CB 3.87Å; F136-A210 HydrophobicContact CG-CB 3.85Å; F136-A210 HydrophobicContact CZ-CB 4.32Å; Q206-A210 HydrophobicContact CG-CB 4.14Å; Q206-A210 WeakPolarHBondContact O-CB 3.16Å; Q206-A210 PolarHBondContact O-N 3.21Å; I208-A210 VanDerWaalsContact C-N 3.29Å; I208-A210 PolarHBondContact O-N 3.26Å
211	Y	98.8	Very high	98.6	Very high	57 Å²	57	16.1 Å²	16.1	22%	0.224	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-26.8	-174.4	-64.8	-92.9	0	0	0	113.7	F136 S137 F138 I208 A209	F136-Y211 AromaticContact CD1-CE2 3.85Å; F136-Y211 HydrophobicContact CD1-CE2 3.85Å; F136-Y211 AromaticContact CD1-CZ 3.75Å; F136-Y211 HydrophobicContact CE1-CE2 4.4Å; S137-Y211 WeakPolarHBondContact O-CA 3.44Å; S137-Y211 VanDerWaalsContact O-CD1 3.23Å; S137-Y211 WeakPolarHBondContact O-CD1 3.4Å; F138-Y211 WeakPolarHBondContact CA-O 3.44Å; F138-Y211 WeakPolarHBondContact CB-O 3.48Å; I208-Y211 PolarHBondContact O-N 3.48Å; A209-Y211 PolarHBondContact O-N 2.93Å
212	V	98.4	Very high	98.6	Very high	10 Å²	10	16.5 Å²	16.5	6%	0.061	8%	0.076	C	C	.	.	S	Bend	trans	-136.3	138.4	-176.7	176	0	0	0	0	108.4	T172 I180 I208 Y214	T172-V212 HydrophobicContact CG2-CB 4.34Å; T172-V212 HydrophobicContact CG2-CG2 3.65Å; I180-V212 HydrophobicContact CD1-CG1 4.43Å; I180-V212 HydrophobicContact CG1-CB 4.35Å; I180-V212 HydrophobicContact CG1-CG1 3.93Å; I208-V212 PolarHBondContact O-N 2.86Å; V212-Y214 PolarHBondContact O-N 3.48Å
213	P	98.5	Very high	98.5	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.013	8%	0.079	C	C	.	.			trans	-56.1	126.4	175.6	23	-33.7	0	0	0	111	M61 L141 D178 V179 I180 M215	M61-P213 HydrophobicContact CE-CB 4.13Å; M61-P213 HydrophobicContact CE-CG 4.1Å; M61-P213 HydrophobicContact SD-CB 4.04Å; L141-P213 HydrophobicContact CD2-CG 4.12Å; D178-P213 WeakPolarHBondContact O-CD 3.45Å; D178-P213 WeakPolarHBondContact O-CG 3.45Å; V179-P213 HydrophobicContact CB-CG 4.49Å; V179-P213 HydrophobicContact CG2-CG 4.06Å; I180-P213 PolarHBondContact N-O 3.25Å; P213-M215 HydrophobicContact CB-SD 4.39Å
214	Y	98.8	Very high	98.5	Very high	1 Å²	1	14 Å²	14	0%	0.004	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	94.6	-173	-158.9	-79.8	0	0	0	109.3	L52 Y154 I180 H182 F186 I205 I208 A209 V212 T216 M236	L52-Y214 PolarHBondContact O-N 3.05Å; Y154-Y214 WeakPolarHBondContact CE2-OH 3.44Å; Y154-Y214 WeakPolarHBondContact OH-CE2 3.44Å; Y154-Y214 PolarHBondContact OH-OH 2.89Å; I180-Y214 HydrophobicContact CB-CD2 3.89Å; I180-Y214 HydrophobicContact CB-CE2 4.26Å; I180-Y214 HydrophobicContact CB-CG 4.41Å; I180-Y214 HydrophobicContact CG1-CD2 4.19Å; I180-Y214 HydrophobicContact CG2-CD2 3.82Å; I180-Y214 HydrophobicContact CG2-CE2 3.67Å; I180-Y214 HydrophobicContact CG2-CG 4.47Å; H182-Y214 HydrophobicContact CB-CD1 4.21Å; H182-Y214 HydrophobicContact CB-CE1 3.26Å; H182-Y214 WeakPolarHBondContact CB-OH 3.47Å; H182-Y214 AromaticContact CG-CE1 3.78Å; H182-Y214 AromaticContact CG-CZ 3.84Å; H182-Y214 AromaticContact ND1-CE1 3.59Å; H182-Y214 AromaticContact ND1-CZ 3.65Å; H182-Y214 PolarHBondContact ND1-OH 2.79Å; F186-Y214 HydrophobicContact CE1-CE1 4.12Å; I205-Y214 HydrophobicContact CD1-CE1 4.18Å; I205-Y214 HydrophobicContact CD1-CE2 4.39Å; I208-Y214 HydrophobicContact CG2-CD2 4.26Å; I208-Y214 HydrophobicContact CG2-CE2 4.24Å; A209-Y214 HydrophobicContact CB-CD2 3.65Å; A209-Y214 HydrophobicContact CB-CE2 4.4Å; A209-Y214 HydrophobicContact CB-CG 3.92Å; V212-Y214 PolarHBondContact O-N 3.48Å; Y214-T216 HydrophobicContact CD1-CG2 3.65Å; Y214-T216 HydrophobicContact CE1-CG2 3.91Å; Y214-M236 WeakPolarHBondContact O-CE 3.2Å
215	M	98.9	Very high	98.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	136.7	-174.5	-49.1	-58.6	-63.4	0	0	109.9	Y54 V179 I180 L181 H182 P213 M236 P237 Y245 W247	Y54-M215 PolarHBondContact N-SD 2.97Å; Y54-M215 VanDerWaalsContact N-SD 3.41Å; Y54-M215 WeakPolarHBondContact O-CE 3.35Å; V179-M215 HydrophobicContact CG1-CB 4.45Å; V179-M215 HydrophobicContact CG1-CG 3.59Å; I180-M215 PolarHBondContact O-N 2.86Å; L181-M215 WeakPolarHBondContact CA-O 3.25Å; L181-M215 HydrophobicContact CD2-CB 3.88Å; L181-M215 HydrophobicContact CD2-CG 4.35Å; H182-M215 PolarHBondContact N-O 2.79Å; P213-M215 HydrophobicContact CB-SD 4.39Å; M215-M236 HydrophobicContact CB-SD 4.49Å; M215-M236 HydrophobicContact CE-SD 3.82Å; M215-M236 HydrophobicContact SD-SD 4.35Å; M215-P237 HydrophobicContact CE-CG 4.18Å; M215-Y245 HydrophobicContact CE-CE2 3.68Å; M215-W247 HydrophobicContact CB-CH2 3.63Å; M215-W247 HydrophobicContact CB-CZ2 3.63Å; M215-W247 HydrophobicContact CE-CD2 3.99Å; M215-W247 HydrophobicContact CE-CE3 4.09Å; M215-W247 HydrophobicContact CE-CH2 4.24Å; M215-W247 HydrophobicContact CE-CZ2 4.17Å; M215-W247 HydrophobicContact CE-CZ3 4.25Å; M215-W247 HydrophobicContact CG-CH2 4.16Å; M215-W247 HydrophobicContact CG-CZ2 3.69Å
216	T	98.8	Very high	98.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.7	-165.8	62.9	0	0	0	0	114.1	H182 F186 Y214 Y230 F234 M236 Y245 S256	H182-T216 HydrophobicContact CB-CG2 4.41Å; H182-T216 WeakPolarHBondContact O-CA 3.36Å; F186-T216 HydrophobicContact CE1-CG2 3.76Å; F186-T216 HydrophobicContact CZ-CG2 3.55Å; Y214-T216 HydrophobicContact CD1-CG2 3.65Å; Y214-T216 HydrophobicContact CE1-CG2 3.91Å; T216-Y230 PolarHBondContact O-OH 3.48Å; T216-Y230 PolarHBondContact OG1-OH 3.24Å; T216-F234 HydrophobicContact CG2-CD1 3.86Å; T216-F234 HydrophobicContact CG2-CE1 3.98Å; T216-F234 HydrophobicContact CG2-CG 4.37Å; T216-M236 HydrophobicContact CG2-CE 4.39Å; T216-Y245 PolarHBondContact N-OH 2.82Å; T216-Y245 WeakPolarHBondContact O-CE1 3.25Å; T216-Y245 VanDerWaalsContact O-CZ 3.26Å; T216-Y245 PolarHBondContact O-OH 3.26Å; T216-S256 PolarHBondContact O-OG 3.31Å
217	C	98.7	Very high	98.3	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	157.5	157.9	71.5	0	0	0	0	108.9	H182 I183 G184 F186 Y230 S256 M301	H182-C217 PolarHBondContact O-N 2.96Å; I183-C217 VanDerWaalsContact CA-SG 3.58Å; I183-C217 VanDerWaalsContact CG2-SG 3.59Å; G184-C217 WeakPolarHBondContact CA-O 3.3Å; G184-C217 PolarHBondContact N-O 3.02Å; G184-C217 VanDerWaalsContact N-O 3.13Å; F186-C217 WeakPolarHBondContact CE2-O 3.36Å; C217-Y230 WeakPolarHBondContact CA-OH 3.36Å; C217-S256 VanDerWaalsContact CB-OG 3.27Å; C217-S256 WeakPolarHBondContact CB-OG 3.31Å; C217-M301 HydrophobicContact CB-CE 3.98Å
218	P	98.6	Very high	98.3	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.077	C	C	.	.			trans	-79.2	145.7	175.9	32.5	-34.3	0	0	0	111.7	E222 F227 Y230 L243 S258 H303	P218-E222 HydrophobicContact CB-CB 4.39Å; P218-F227 HydrophobicContact CB-CD1 4.07Å; P218-F227 HydrophobicContact CB-CE1 4.29Å; P218-Y230 HydrophobicContact CB-CD1 4.03Å; P218-Y230 HydrophobicContact CB-CD2 4.29Å; P218-Y230 HydrophobicContact CB-CE1 3.95Å; P218-Y230 HydrophobicContact CB-CE2 4.22Å; P218-Y230 HydrophobicContact CB-CG 4.22Å; P218-Y230 HydrophobicContact CG-CE1 4.16Å; P218-L243 HydrophobicContact CG-CD2 4.09Å; P218-S258 WeakPolarHBondContact CG-OG 3.38Å; P218-H303 WeakPolarHBondContact O-CB 3.44Å
219	G	98.6	Very high	98.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.			trans	-111.3	-174.3	165	0	0	0	0	0	112.4	D185 H221 E222 E260 H303	D185-G219 VanDerWaalsContact OD1-CA 3.3Å; D185-G219 WeakPolarHBondContact OD1-CA 3.42Å; G219-H221 VanDerWaalsContact C-N 3.33Å; G219-H221 PolarHBondContact O-N 3.27Å; G219-E222 WeakPolarHBondContact CA-OE2 3.41Å; G219-E222 PolarHBondContact N-OE2 3.33Å; G219-E222 PolarHBondContact O-N 3.05Å; G219-E260 WeakPolarHBondContact O-CG 3.21Å; G219-H303 WeakPolarHBondContact CA-CD2 3.24Å; G219-H303 VanDerWaalsContact CA-CG 3.41Å
220	N	98.5	Very high	98.2	Very high	16 Å²	16	16.2 Å²	16.2	9%	0.086	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-66.4	-32.1	-177.1	39	-82.4	0	0	0	113.3	D185 E222 S223 E260 Y264 H303 R304 H353	D185-N220 PolarHBondContact OD1-N 3.36Å; D185-N220 PolarHBondContact OD2-ND2 3.04Å; N220-E222 PolarHBondContact O-N 3.02Å; N220-S223 VanDerWaalsContact O-CB 3.25Å; N220-S223 WeakPolarHBondContact O-CB 3.31Å; N220-S223 PolarHBondContact O-N 3.4Å; N220-S223 PolarHBondContact O-OG 3.41Å; N220-E260 WeakPolarHBondContact CA-OE2 3.01Å; N220-E260 WeakPolarHBondContact CB-OE2 3.4Å; N220-E260 PolarHBondContact N-OE2 2.79Å; N220-Y264 HydrophobicContact CB-CE2 4.19Å; N220-Y264 VanDerWaalsContact CB-OH 3.22Å; N220-Y264 WeakPolarHBondContact CB-OH 3.33Å; N220-Y264 PolarHBondContact O-OH 3.09Å; N220-H303 PolarHBondContact OD1-CD2 3.3Å; N220-H303 PolarHBondContact OD1-NE2 2.97Å; N220-R304 PolarHBondContact OD1-NH2 2.71Å; N220-H353 PolarHBondContact OD1-CE1 3.07Å; N220-H353 PolarHBondContact OD1-ND1 3.15Å
221	H	98.6	Very high	98.1	Very high	25 Å²	25	18 Å²	18	12%	0.116	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-68.9	-11.9	178.4	-74.9	-94.9	0	0	0	112.7	D185 Y188 D189 G219 E395	D185-H221 HydrophobicContact CB-CB 4.34Å; D185-H221 VanDerWaalsContact CG-CD2 3.4Å; D185-H221 WeakPolarHBondContact OD1-CB 3.44Å; D185-H221 IonicContact OD1-CD2 2.81Å; D185-H221 IonicContact OD1-CG 3.44Å; D185-H221 PolarHBondContact OD1-N 3.17Å; D185-H221 IonicContact OD2-CD2 2.72Å; D185-H221 PolarHBondContact OD2-CD2 2.66Å; Y188-H221 AromaticContact CD1-CD2 3.9Å; Y188-H221 AromaticContact CD1-CE1 3.44Å; Y188-H221 VanDerWaalsContact CD1-CE1 3.44Å; Y188-H221 WeakPolarHBondContact CD1-CE1 3.42Å; Y188-H221 AromaticContact CD1-CG 3.8Å; Y188-H221 AromaticContact CD1-ND1 3.51Å; Y188-H221 AromaticContact CD1-NE2 3.73Å; Y188-H221 AromaticContact CE1-CD2 3.66Å; Y188-H221 AromaticContact CE1-CE1 3.82Å; Y188-H221 AromaticContact CE1-CG 3.99Å; Y188-H221 AromaticContact CE1-NE2 3.6Å; D189-H221 IonicContact OD1-CE1 3.81Å; D189-H221 IonicContact OD1-CG 3.52Å; D189-H221 IonicContact OD1-ND1 2.84Å; D189-H221 PolarHBondContact OD1-ND1 2.9Å; D189-H221 IonicContact OD2-ND1 3.1Å; G219-H221 VanDerWaalsContact C-N 3.33Å; G219-H221 PolarHBondContact O-N 3.27Å; H221-E395 IonicContact CE1-OE1 3.48Å; H221-E395 PolarHBondContact CE1-OE1 3.07Å; H221-E395 VanDerWaalsContact CE1-OE1 3.26Å; H221-E395 IonicContact NE2-OE1 3Å; H221-E395 IonicContact NE2-OE2 3.08Å
222	E	98.5	Very high	98.1	Very high	7 Å²	7	17.4 Å²	17.4	3%	0.033	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-84.7	-18	172	-76.4	65.7	-110.1	0	0	113	D185 F186 P218 G219 N220 T224 F227 Y230	D185-E222 WeakPolarHBondContact CA-OE2 3.37Å; D185-E222 PolarHBondContact N-OE2 3.23Å; F186-E222 WeakPolarHBondContact CB-OE1 3.37Å; F186-E222 VanDerWaalsContact CD2-CD 3.48Å; F186-E222 HydrophobicContact CD2-CG 4.2Å; F186-E222 WeakPolarHBondContact CD2-OE2 3.19Å; F186-E222 PolarHBondContact N-OE1 3.36Å; P218-E222 HydrophobicContact CB-CB 4.39Å; G219-E222 WeakPolarHBondContact CA-OE2 3.41Å; G219-E222 PolarHBondContact N-OE2 3.33Å; G219-E222 PolarHBondContact O-N 3.05Å; N220-E222 PolarHBondContact O-N 3.02Å; E222-T224 PolarHBondContact O-N 2.86Å; E222-T224 VanDerWaalsContact O-N 3.07Å; E222-F227 HydrophobicContact CB-CD1 3.86Å; E222-F227 HydrophobicContact CB-CE1 4.46Å; E222-F227 VanDerWaalsContact O-CA 3.22Å; E222-F227 WeakPolarHBondContact O-CA 3.42Å; E222-Y230 HydrophobicContact CB-CG 4.45Å; E222-Y230 HydrophobicContact CG-CD2 3.85Å; E222-Y230 HydrophobicContact CG-CG 4.04Å
223	S	97.4	Very high	98.1	Very high	10 Å²	10	17 Å²	17	7%	0.07	8%	0.083	C	C	.	.			trans	-56.9	-31.4	-165.8	62.3	0	0	0	0	115.1	N220 Y225 N226 F227 Y264 Y267	N220-S223 VanDerWaalsContact O-CB 3.25Å; N220-S223 WeakPolarHBondContact O-CB 3.31Å; N220-S223 PolarHBondContact O-N 3.4Å; N220-S223 PolarHBondContact O-OG 3.41Å; S223-Y225 PolarHBondContact O-N 3.44Å; S223-N226 WeakPolarHBondContact O-CA 3.44Å; S223-N226 PolarHBondContact O-N 2.85Å; S223-F227 VanDerWaalsContact CA-CE1 3.49Å; S223-F227 PolarHBondContact O-N 2.8Å; S223-Y264 VanDerWaalsContact CB-CE1 3.47Å; S223-Y264 VanDerWaalsContact OG-CE1 3.31Å; S223-Y264 WeakPolarHBondContact OG-CE1 3.41Å; S223-Y264 VanDerWaalsContact OG-CZ 3.25Å; S223-Y264 PolarHBondContact OG-OH 2.91Å; S223-Y267 WeakPolarHBondContact O-CE2 3.31Å; S223-Y267 PolarHBondContact O-OH 3.44Å
224	T	97.5	Very high	98.1	Very high	35 Å²	35	17 Å²	17	22%	0.215	8%	0.083	C	C	.	.	H	α-helix	trans	-53.3	132.6	-173	-61.4	0	0	0	0	113.2	H191 E222 N226	H191-T224 HydrophobicContact CB-CG2 4.16Å; H191-T224 PolarHBondContact CE1-OG1 2.97Å; E222-T224 PolarHBondContact O-N 2.86Å; E222-T224 VanDerWaalsContact O-N 3.07Å; T224-N226 VanDerWaalsContact C-N 3.32Å; T224-N226 PolarHBondContact O-N 2.77Å
225	Y	96.5	Very high	97.9	Very high	100 Å²	100	17.6 Å²	17.6	39%	0.392	9%	0.087	S	C	.	.	H	α-helix	trans	56.5	42.9	-175.1	-48.3	-51.4	0	0	0	113	H191 S223 S228	H191-Y225 HydrophobicContact CB-CD2 4.43Å; H191-Y225 HydrophobicContact CB-CE2 4.35Å; S223-Y225 PolarHBondContact O-N 3.44Å; Y225-S228 WeakPolarHBondContact CB-OG 3.45Å; Y225-S228 VanDerWaalsContact O-CB 3.31Å; Y225-S228 WeakPolarHBondContact O-CB 3.39Å; Y225-S228 PolarHBondContact O-N 2.83Å
226	N	96.8	Very high	97.9	Very high	51 Å²	51	18.3 Å²	18.3	27%	0.273	9%	0.091	S	C	.	.	H	α-helix	trans	57.5	52.8	-179.6	-173.4	23.6	0	0	0	112.3	S223 T224 S228 R231 Y267	S223-N226 WeakPolarHBondContact O-CA 3.44Å; S223-N226 PolarHBondContact O-N 2.85Å; T224-N226 VanDerWaalsContact C-N 3.32Å; T224-N226 PolarHBondContact O-N 2.77Å; N226-S228 PolarHBondContact O-N 2.76Å; N226-S228 VanDerWaalsContact O-N 3.1Å; N226-R231 PolarHBondContact O-NE 3.49Å; N226-R231 PolarHBondContact OD1-NH2 2.72Å; N226-Y267 HydrophobicContact CB-CD1 3.61Å; N226-Y267 HydrophobicContact CB-CD2 4.44Å; N226-Y267 HydrophobicContact CB-CE1 3.82Å; N226-Y267 HydrophobicContact CB-CG 3.97Å; N226-Y267 PolarHBondContact N-OH 3.43Å; N226-Y267 WeakPolarHBondContact OD1-CB 3.43Å
227	F	97.8	Very high	97.8	Very high	7 Å²	7	18.7 Å²	18.7	3%	0.031	9%	0.093	C	C	.	.	H	α-helix	trans	60.1	22.8	177.2	-51.9	-91.9	0	0	0	114.4	P218 E222 S223 N229 Y230 R231 L243 E260 Y264 Y267	P218-F227 HydrophobicContact CB-CD1 4.07Å; P218-F227 HydrophobicContact CB-CE1 4.29Å; E222-F227 HydrophobicContact CB-CD1 3.86Å; E222-F227 HydrophobicContact CB-CE1 4.46Å; E222-F227 VanDerWaalsContact O-CA 3.22Å; E222-F227 WeakPolarHBondContact O-CA 3.42Å; S223-F227 VanDerWaalsContact CA-CE1 3.49Å; S223-F227 PolarHBondContact O-N 2.8Å; F227-N229 PolarHBondContact O-N 3.33Å; F227-Y230 PolarHBondContact O-N 2.86Å; F227-Y230 VanDerWaalsContact O-N 3.14Å; F227-R231 HydrophobicContact CB-CG 4Å; F227-R231 WeakPolarHBondContact O-CB 3.45Å; F227-R231 WeakPolarHBondContact O-CG 3.41Å; F227-R231 PolarHBondContact O-N 2.95Å; F227-L243 HydrophobicContact CB-CD2 4.35Å; F227-L243 HydrophobicContact CG-CD2 4.34Å; F227-E260 HydrophobicContact CE1-CB 3.77Å; F227-E260 HydrophobicContact CE1-CG 4Å; F227-E260 HydrophobicContact CZ-CB 3.54Å; F227-E260 HydrophobicContact CZ-CG 4.29Å; F227-Y264 HydrophobicContact CZ-CD2 4.1Å; F227-Y267 HydrophobicContact CD2-CD2 4.3Å; F227-Y267 AromaticContact CE2-CD2 3.77Å; F227-Y267 HydrophobicContact CE2-CD2 3.77Å; F227-Y267 HydrophobicContact CE2-CE2 4.28Å
228	S	97.4	Very high	97.5	Very high	14 Å²	14	21.8 Å²	21.8	10%	0.098	13%	0.125	C	C	.	.	H	α-helix	trans	-58.3	-43.4	-167.4	61.4	0	0	0	0	113.7	Y225 N226 N232	Y225-S228 WeakPolarHBondContact CB-OG 3.45Å; Y225-S228 VanDerWaalsContact O-CB 3.31Å; Y225-S228 WeakPolarHBondContact O-CB 3.39Å; Y225-S228 PolarHBondContact O-N 2.83Å; N226-S228 PolarHBondContact O-N 2.76Å; N226-S228 VanDerWaalsContact O-N 3.1Å; S228-N232 VanDerWaalsContact O-CB 3.31Å; S228-N232 WeakPolarHBondContact O-CB 3.36Å; S228-N232 PolarHBondContact O-N 2.88Å; S228-N232 VanDerWaalsContact O-N 3.09Å; S228-N232 PolarHBondContact O-ND2 2.9Å
229	N	98.1	Very high	97.2	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.027	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-48.5	177.2	-90	-83.1	0	0	0	111	F96 D98 M190 A195 F227 N232 R233	F96-N229 WeakPolarHBondContact CE1-OD1 3.25Å; F96-N229 HydrophobicContact CZ-CB 4.48Å; D98-N229 PolarHBondContact OD1-ND2 3.09Å; M190-N229 HydrophobicContact CB-CB 3.71Å; M190-N229 HydrophobicContact SD-CB 4.08Å; A195-N229 WeakPolarHBondContact CB-OD1 3.28Å; F227-N229 PolarHBondContact O-N 3.33Å; N229-N232 PolarHBondContact O-N 2.8Å; N229-R233 VanDerWaalsContact O-CB 3.24Å; N229-R233 WeakPolarHBondContact O-CB 3.31Å; N229-R233 WeakPolarHBondContact O-CG 3.35Å; N229-R233 PolarHBondContact O-N 2.97Å; N229-R233 PolarHBondContact OD1-NE 2.95Å; N229-R233 PolarHBondContact OD1-NH2 3.4Å
230	Y	98.4	Very high	96.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.7	-53.8	178.1	178.2	-93	0	0	0	112.4	F186 T216 C217 P218 E222 F227 N232 R233 F234 S242 L243	F186-Y230 HydrophobicContact CE2-CD2 4.37Å; F186-Y230 HydrophobicContact CE2-CE2 4.18Å; F186-Y230 HydrophobicContact CZ-CE2 4.41Å; T216-Y230 PolarHBondContact O-OH 3.48Å; T216-Y230 PolarHBondContact OG1-OH 3.24Å; C217-Y230 WeakPolarHBondContact CA-OH 3.36Å; P218-Y230 HydrophobicContact CB-CD1 4.03Å; P218-Y230 HydrophobicContact CB-CD2 4.29Å; P218-Y230 HydrophobicContact CB-CE1 3.95Å; P218-Y230 HydrophobicContact CB-CE2 4.22Å; P218-Y230 HydrophobicContact CB-CG 4.22Å; P218-Y230 HydrophobicContact CG-CE1 4.16Å; E222-Y230 HydrophobicContact CB-CG 4.45Å; E222-Y230 HydrophobicContact CG-CD2 3.85Å; E222-Y230 HydrophobicContact CG-CG 4.04Å; F227-Y230 PolarHBondContact O-N 2.86Å; F227-Y230 VanDerWaalsContact O-N 3.14Å; Y230-N232 PolarHBondContact O-N 3.43Å; Y230-R233 PolarHBondContact O-N 3.26Å; Y230-F234 AromaticContact CD2-CD2 3.42Å; Y230-F234 HydrophobicContact CD2-CD2 3.42Å; Y230-F234 VanDerWaalsContact CD2-CD2 3.42Å; Y230-F234 AromaticContact CD2-CE2 3.78Å; Y230-F234 HydrophobicContact CD2-CE2 3.78Å; Y230-F234 HydrophobicContact CD2-CG 4.43Å; Y230-F234 AromaticContact CE2-CD2 3.71Å; Y230-F234 HydrophobicContact CE2-CD2 3.71Å; Y230-F234 HydrophobicContact CE2-CE2 4.23Å; Y230-F234 HydrophobicContact CE2-CG 4.34Å; Y230-F234 HydrophobicContact CG-CD2 4.07Å; Y230-F234 WeakPolarHBondContact O-CD2 3.31Å; Y230-F234 PolarHBondContact O-N 3.08Å; Y230-S242 WeakPolarHBondContact CE1-O 3.44Å; Y230-S242 PolarHBondContact OH-O 2.58Å; Y230-L243 HydrophobicContact CD1-CD2 4.29Å; Y230-L243 HydrophobicContact CE1-CD2 4.29Å
231	R	97.6	Very high	96.6	Very high	37 Å²	37	36.8 Å²	36.8	14%	0.14	20%	0.196	C	C	.	.	H	α-helix	trans	-58.2	-34.8	-179	-69.8	179.3	-177	-149	3.1	112.7	N226 F227 E241 L243	N226-R231 PolarHBondContact O-NE 3.49Å; N226-R231 PolarHBondContact OD1-NH2 2.72Å; F227-R231 HydrophobicContact CB-CG 4Å; F227-R231 WeakPolarHBondContact O-CB 3.45Å; F227-R231 WeakPolarHBondContact O-CG 3.41Å; F227-R231 PolarHBondContact O-N 2.95Å; R231-E241 HydrophobicContact CG-CB 4.14Å; R231-E241 IonicContact CZ-OE1 3.47Å; R231-E241 IonicContact CZ-OE2 3.86Å; R231-E241 IonicContact NH1-OE1 2.65Å; R231-E241 PolarHBondContact NH1-OE1 2.86Å; R231-E241 IonicContact NH1-OE2 2.89Å; R231-E241 PolarHBondContact NH1-OE2 3.41Å; R231-L243 HydrophobicContact CG-CD2 4.36Å
232	N	97.8	Very high	96.5	Very high	45 Å²	45	36 Å²	36	24%	0.241	19%	0.194	C	C	.	.	H	α-helix	trans	-87.9	-29.1	-178.6	-77.1	-85.1	0	0	0	113.3	F96 I108 R110 S228 N229 Y230	F96-N232 HydrophobicContact CB-CB 3.97Å; F96-N232 HydrophobicContact CD1-CB 3.91Å; F96-N232 HydrophobicContact CD2-CB 3.79Å; F96-N232 VanDerWaalsContact CD2-CG 3.48Å; F96-N232 HydrophobicContact CE1-CB 4.39Å; F96-N232 HydrophobicContact CE2-CB 4.3Å; F96-N232 HydrophobicContact CG-CB 3.61Å; I108-N232 WeakPolarHBondContact CG2-O 3.26Å; R110-N232 PolarHBondContact NH2-O 2.81Å; S228-N232 VanDerWaalsContact O-CB 3.31Å; S228-N232 WeakPolarHBondContact O-CB 3.36Å; S228-N232 PolarHBondContact O-N 2.88Å; S228-N232 VanDerWaalsContact O-N 3.09Å; S228-N232 PolarHBondContact O-ND2 2.9Å; N229-N232 PolarHBondContact O-N 2.8Å; Y230-N232 PolarHBondContact O-N 3.43Å
233	R	98	Very high	96.4	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-87.2	-36.9	-175.9	-69.1	173.8	-176.3	-84.4	4.3	112.7	H51 M106 A195 D199 N229 Y230	H51-R233 PolarHBondContact CE1-O 3.33Å; H51-R233 PolarHBondContact NE2-O 3.41Å; M106-R233 PolarHBondContact SD-NH2 2.57Å; A195-R233 PolarHBondContact O-NH2 2.71Å; D199-R233 IonicContact OD1-CZ 3.52Å; D199-R233 IonicContact OD1-NH1 3.29Å; D199-R233 PolarHBondContact OD1-NH1 3.08Å; D199-R233 IonicContact OD1-NH2 2.7Å; D199-R233 PolarHBondContact OD1-NH2 2.81Å; N229-R233 VanDerWaalsContact O-CB 3.24Å; N229-R233 WeakPolarHBondContact O-CB 3.31Å; N229-R233 WeakPolarHBondContact O-CG 3.35Å; N229-R233 PolarHBondContact O-N 2.97Å; N229-R233 PolarHBondContact OD1-NE 2.95Å; N229-R233 PolarHBondContact OD1-NH2 3.4Å; Y230-R233 PolarHBondContact O-N 3.26Å
234	F	98.2	Very high	96.5	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	19%	0.193	C	C	.	.			trans	-100.2	146.4	-175.6	-61	-74.1	0	0	0	113.4	F186 M190 M202 T216 Y230 M236 S242	F186-F234 HydrophobicContact CD1-CE1 4.34Å; F186-F234 AromaticContact CD1-CE2 3.92Å; F186-F234 HydrophobicContact CD1-CE2 3.92Å; F186-F234 AromaticContact CD1-CZ 3.43Å; F186-F234 HydrophobicContact CD1-CZ 3.43Å; F186-F234 VanDerWaalsContact CD1-CZ 3.43Å; F186-F234 AromaticContact CE1-CE1 3.88Å; F186-F234 HydrophobicContact CE1-CE1 3.88Å; F186-F234 AromaticContact CE1-CE2 3.87Å; F186-F234 HydrophobicContact CE1-CE2 3.87Å; F186-F234 AromaticContact CE1-CZ 3.34Å; F186-F234 HydrophobicContact CE1-CZ 3.34Å; F186-F234 HydrophobicContact CG-CE2 4.41Å; F186-F234 HydrophobicContact CG-CZ 4.32Å; F186-F234 HydrophobicContact CZ-CE2 4.38Å; F186-F234 HydrophobicContact CZ-CZ 4.21Å; M190-F234 HydrophobicContact CE-CE2 3.5Å; M190-F234 VanDerWaalsContact CE-CE2 3.5Å; M190-F234 HydrophobicContact CE-CZ 3.6Å; M190-F234 HydrophobicContact SD-CE2 4.3Å; M202-F234 HydrophobicContact CE-CE1 4Å; M202-F234 HydrophobicContact CE-CZ 4.31Å; M202-F234 HydrophobicContact SD-CE1 4.01Å; M202-F234 HydrophobicContact SD-CZ 3.75Å; T216-F234 HydrophobicContact CG2-CD1 3.86Å; T216-F234 HydrophobicContact CG2-CE1 3.98Å; T216-F234 HydrophobicContact CG2-CG 4.37Å; Y230-F234 AromaticContact CD2-CD2 3.42Å; Y230-F234 HydrophobicContact CD2-CD2 3.42Å; Y230-F234 VanDerWaalsContact CD2-CD2 3.42Å; Y230-F234 AromaticContact CD2-CE2 3.78Å; Y230-F234 HydrophobicContact CD2-CE2 3.78Å; Y230-F234 HydrophobicContact CD2-CG 4.43Å; Y230-F234 AromaticContact CE2-CD2 3.71Å; Y230-F234 HydrophobicContact CE2-CD2 3.71Å; Y230-F234 HydrophobicContact CE2-CE2 4.23Å; Y230-F234 HydrophobicContact CE2-CG 4.34Å; Y230-F234 HydrophobicContact CG-CD2 4.07Å; Y230-F234 WeakPolarHBondContact O-CD2 3.31Å; Y230-F234 PolarHBondContact O-N 3.08Å; F234-M236 HydrophobicContact CB-CE 4.23Å; F234-S242 PolarHBondContact O-OG 2.93Å; F234-S242 VanDerWaalsContact O-OG 3.09Å
235	S	96.2	Very high	96.5	Very high	15 Å²	15	34.8 Å²	34.8	11%	0.105	18%	0.183	C	C	.	.			trans	-122.4	87.9	-176.3	-58.7	0	0	0	0	110.7	S53 T64 R110	S53-S235 WeakPolarHBondContact CB-O 3.39Å; S53-S235 PolarHBondContact OG-O 2.88Å; T64-S235 PolarHBondContact OG1-OG 2.89Å; T64-S235 VanDerWaalsContact OG1-OG 3.06Å; R110-S235 WeakPolarHBondContact CD-OG 3.11Å; R110-S235 PolarHBondContact NE-OG 3.31Å
236	M	97.8	Very high	96.6	Very high	15 Å²	15	31.3 Å²	31.3	7%	0.074	17%	0.174	C	C	.	.			trans	-99.3	159	-179.8	-61	-59.8	121.5	0	0	112.2	Y214 M215 T216 F234 S242 Y245	Y214-M236 WeakPolarHBondContact O-CE 3.2Å; M215-M236 HydrophobicContact CB-SD 4.49Å; M215-M236 HydrophobicContact CE-SD 3.82Å; M215-M236 HydrophobicContact SD-SD 4.35Å; T216-M236 HydrophobicContact CG2-CE 4.39Å; F234-M236 HydrophobicContact CB-CE 4.23Å; M236-S242 PolarHBondContact N-OG 3.14Å; M236-Y245 HydrophobicContact CB-CD1 3.6Å; M236-Y245 HydrophobicContact CB-CD2 4.09Å; M236-Y245 HydrophobicContact CB-CE1 3.45Å; M236-Y245 VanDerWaalsContact CB-CE1 3.45Å; M236-Y245 HydrophobicContact CB-CE2 3.86Å; M236-Y245 HydrophobicContact CB-CG 3.96Å; M236-Y245 HydrophobicContact CG-CD1 4.12Å; M236-Y245 HydrophobicContact CG-CE1 3.43Å; M236-Y245 VanDerWaalsContact CG-CE1 3.43Å; M236-Y245 HydrophobicContact CG-CE2 4.13Å; M236-Y245 VanDerWaalsContact CG-CZ 3.47Å; M236-Y245 HydrophobicContact SD-CE1 4.11Å; M236-Y245 HydrophobicContact SD-CE2 3.94Å; M236-Y245 PolarHBondContact SD-OH 2.89Å
237	P	96.9	Very high	96.7	Very high	8 Å²	8	29.3 Å²	29.3	5%	0.052	16%	0.163	C	C	.	.	S	Bend	trans	-50.9	152.5	174.7	-25.3	27.9	0	0	0	114.3	Y54 M215 Y245	Y54-P237 VanDerWaalsContact O-CD 3.24Å; Y54-P237 WeakPolarHBondContact O-CD 3Å; Y54-P237 WeakPolarHBondContact O-CG 3.07Å; M215-P237 HydrophobicContact CE-CG 4.18Å; P237-Y245 HydrophobicContact CB-CD2 4.07Å; P237-Y245 VanDerWaalsContact CD-CD2 3.46Å; P237-Y245 HydrophobicContact CG-CD2 3.74Å; P237-Y245 HydrophobicContact CG-CE2 4.17Å; P237-Y245 WeakPolarHBondContact O-CB 3.35Å
238	G	93.1	Very high	96.7	Very high	65 Å²	65	31.6 Å²	31.6	67%	0.67	18%	0.175	S	C	*	.	S	Bend	trans	84.9	-170.8	175.1	0	0	0	0	0	114.2
239	Q	90.7	Very high	96.7	Very high	200 Å²	200	31.3 Å²	31.3	94%	0.935	17%	0.172	S	C	*	.	S	Bend	trans	-121.5	51.8	-176.5	-66.6	-173.1	-20.1	0	0	110.7
240	T	91.8	Very high	96.6	Very high	21 Å²	21	31.2 Å²	31.2	13%	0.129	17%	0.173	C	C	.	.	S	Bend	trans	-123.8	16.8	-171.3	55.2	0	0	0	0	111.9	S242 L243 W244	T240-S242 PolarHBondContact O-N 2.87Å; T240-S242 VanDerWaalsContact O-N 3.16Å; T240-L243 WeakPolarHBondContact O-CB 3.48Å; T240-L243 PolarHBondContact O-N 2.85Å; T240-W244 WeakPolarHBondContact CB-O 3.18Å; T240-W244 HydrophobicContact CG2-CG 4.41Å; T240-W244 VanDerWaalsContact CG2-NE1 3.33Å; T240-W244 WeakPolarHBondContact CG2-O 3.42Å; T240-W244 PolarHBondContact OG1-O 3.2Å
241	E	92.6	Very high	96.6	Very high	110 Å²	110	31.3 Å²	31.3	51%	0.514	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	32.7	-177.5	-53.6	175.5	90.4	0	0	112.6	R231 L243	R231-E241 HydrophobicContact CG-CB 4.14Å; R231-E241 IonicContact CZ-OE1 3.47Å; R231-E241 IonicContact CZ-OE2 3.86Å; R231-E241 IonicContact NH1-OE1 2.65Å; R231-E241 PolarHBondContact NH1-OE1 2.86Å; R231-E241 IonicContact NH1-OE2 2.89Å; R231-E241 PolarHBondContact NH1-OE2 3.41Å; E241-L243 PolarHBondContact O-N 2.85Å
242	S	96.6	Very high	96.6	Very high	9 Å²	9	29.5 Å²	29.5	6%	0.063	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	7.5	-177.1	-51.6	0	0	0	0	116.1	Y230 F234 M236 T240	Y230-S242 WeakPolarHBondContact CE1-O 3.44Å; Y230-S242 PolarHBondContact OH-O 2.58Å; F234-S242 PolarHBondContact O-OG 2.93Å; F234-S242 VanDerWaalsContact O-OG 3.09Å; M236-S242 PolarHBondContact N-OG 3.14Å; T240-S242 PolarHBondContact O-N 2.87Å; T240-S242 VanDerWaalsContact O-N 3.16Å
243	L	97.6	Very high	96.7	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.016	16%	0.159	C	C	.	.	S	Bend	trans	-75.4	-33.8	-176.8	-61.5	177.9	0	0	0	113.2	P218 F227 Y230 R231 T240 E241 F257 S258	P218-L243 HydrophobicContact CG-CD2 4.09Å; F227-L243 HydrophobicContact CB-CD2 4.35Å; F227-L243 HydrophobicContact CG-CD2 4.34Å; Y230-L243 HydrophobicContact CD1-CD2 4.29Å; Y230-L243 HydrophobicContact CE1-CD2 4.29Å; R231-L243 HydrophobicContact CG-CD2 4.36Å; T240-L243 WeakPolarHBondContact O-CB 3.48Å; T240-L243 PolarHBondContact O-N 2.85Å; E241-L243 PolarHBondContact O-N 2.85Å; L243-F257 CarbonylContact O-C 3.56Å; L243-S258 WeakPolarHBondContact O-CB 2.96Å; L243-S258 PolarHBondContact O-N 2.75Å; L243-S258 VanDerWaalsContact O-N 3.15Å
244	W	98.4	Very high	96.7	Very high	19 Å²	19	28 Å²	28	7%	0.072	16%	0.159	C	C	.	.	S	Bend	trans	-156.2	140.9	175.2	56.7	82.1	0	0	0	110.8	T240 S256 F257 V261 L271 K274 Q275 W278	T240-W244 WeakPolarHBondContact CB-O 3.18Å; T240-W244 HydrophobicContact CG2-CG 4.41Å; T240-W244 VanDerWaalsContact CG2-NE1 3.33Å; T240-W244 WeakPolarHBondContact CG2-O 3.42Å; T240-W244 PolarHBondContact OG1-O 3.2Å; W244-S256 CarbonylContact C-O 3.59Å; W244-S256 VanDerWaalsContact CA-O 3.23Å; W244-S256 WeakPolarHBondContact CA-O 3.15Å; W244-S256 WeakPolarHBondContact CB-O 3.39Å; W244-F257 HydrophobicContact CB-CB 4.25Å; W244-V261 HydrophobicContact CZ3-CG1 4.05Å; W244-L271 HydrophobicContact CH2-CB 4.48Å; W244-L271 HydrophobicContact CH2-CD2 3.96Å; W244-K274 HydrophobicContact CZ2-CB 4.32Å; W244-Q275 HydrophobicContact CB-CG 4.25Å; W244-Q275 HydrophobicContact CD2-CB 3.96Å; W244-Q275 HydrophobicContact CD2-CG 3.9Å; W244-Q275 HydrophobicContact CE3-CB 3.97Å; W244-Q275 HydrophobicContact CE3-CG 4.03Å; W244-Q275 HydrophobicContact CG-CG 4Å; W244-Q275 HydrophobicContact CH2-CB 4.35Å; W244-Q275 HydrophobicContact CZ2-CB 4.35Å; W244-Q275 HydrophobicContact CZ3-CB 4.17Å; W244-W278 HydrophobicContact CB-CE3 4.28Å; W244-W278 HydrophobicContact CB-CZ3 4.06Å; W244-W278 AromaticContact CD1-CD2 3.42Å; W244-W278 VanDerWaalsContact CD1-CD2 3.42Å; W244-W278 AromaticContact CD1-CE2 3.98Å; W244-W278 AromaticContact CD1-CE3 3.34Å; W244-W278 AromaticContact CD1-CG 3.9Å; W244-W278 AromaticContact CD1-CZ3 3.86Å; W244-W278 HydrophobicContact CG-CD2 4.5Å; W244-W278 HydrophobicContact CG-CE3 4.05Å; W244-W278 HydrophobicContact CG-CZ3 4.31Å; W244-W278 AromaticContact NE1-CD2 3.92Å; W244-W278 AromaticContact NE1-CG 3.89Å
245	Y	98.8	Very high	96.8	Very high	3 Å²	3	28 Å²	28	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	166.6	-174	59.8	-80.1	0	0	0	111.2	M215 T216 M236 P237 W247 S256 W278	M215-Y245 HydrophobicContact CE-CE2 3.68Å; T216-Y245 PolarHBondContact N-OH 2.82Å; T216-Y245 WeakPolarHBondContact O-CE1 3.25Å; T216-Y245 VanDerWaalsContact O-CZ 3.26Å; T216-Y245 PolarHBondContact O-OH 3.26Å; M236-Y245 HydrophobicContact CB-CD1 3.6Å; M236-Y245 HydrophobicContact CB-CD2 4.09Å; M236-Y245 HydrophobicContact CB-CE1 3.45Å; M236-Y245 VanDerWaalsContact CB-CE1 3.45Å; M236-Y245 HydrophobicContact CB-CE2 3.86Å; M236-Y245 HydrophobicContact CB-CG 3.96Å; M236-Y245 HydrophobicContact CG-CD1 4.12Å; M236-Y245 HydrophobicContact CG-CE1 3.43Å; M236-Y245 VanDerWaalsContact CG-CE1 3.43Å; M236-Y245 HydrophobicContact CG-CE2 4.13Å; M236-Y245 VanDerWaalsContact CG-CZ 3.47Å; M236-Y245 HydrophobicContact SD-CE1 4.11Å; M236-Y245 HydrophobicContact SD-CE2 3.94Å; M236-Y245 PolarHBondContact SD-OH 2.89Å; P237-Y245 HydrophobicContact CB-CD2 4.07Å; P237-Y245 VanDerWaalsContact CD-CD2 3.46Å; P237-Y245 HydrophobicContact CG-CD2 3.74Å; P237-Y245 HydrophobicContact CG-CE2 4.17Å; P237-Y245 WeakPolarHBondContact O-CB 3.35Å; Y245-W247 AromaticContact CD2-CE3 3.41Å; Y245-W247 HydrophobicContact CD2-CE3 3.41Å; Y245-W247 VanDerWaalsContact CD2-CE3 3.41Å; Y245-W247 AromaticContact CD2-CZ3 3.55Å; Y245-W247 HydrophobicContact CD2-CZ3 3.55Å; Y245-W247 HydrophobicContact CE2-CD2 4.26Å; Y245-W247 AromaticContact CE2-CE3 3.15Å; Y245-W247 HydrophobicContact CE2-CE3 3.15Å; Y245-W247 AromaticContact CE2-CH2 3.83Å; Y245-W247 HydrophobicContact CE2-CH2 3.83Å; Y245-W247 AromaticContact CE2-CZ3 2.9Å; Y245-W247 HydrophobicContact CE2-CZ3 2.9Å; Y245-W247 AromaticContact CZ-CZ3 3.51Å; Y245-S256 VanDerWaalsContact CE1-CB 3.44Å; Y245-S256 VanDerWaalsContact CE1-OG 3.24Å; Y245-S256 WeakPolarHBondContact CE1-OG 3.26Å; Y245-S256 PolarHBondContact N-O 2.78Å; Y245-S256 PolarHBondContact O-N 2.92Å; Y245-S256 VanDerWaalsContact O-O 3.11Å; Y245-W278 VanDerWaalsContact CA-CH2 3.49Å
246	S	98.6	Very high	96.9	Very high	28 Å²	28	27.3 Å²	27.3	20%	0.196	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	-175.7	175.7	68.9	0	0	0	0	110.2	I254 D282	S246-I254 VanDerWaalsContact CA-O 3.25Å; S246-I254 WeakPolarHBondContact CA-O 3.09Å; S246-D282 WeakPolarHBondContact CB-OD1 3.18Å; S246-D282 WeakPolarHBondContact CB-OD2 3.4Å; S246-D282 PolarHBondContact OG-OD1 2.97Å
247	W	98	Very high	96.9	Very high	8 Å²	8	26.6 Å²	26.6	3%	0.03	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)		171.8	88.6	-104	145.8	91.1	0	0	0	115.2	Y54 L181 M215 Y245 H253 I254 M301	Y54-W247 HydrophobicContact CD1-CB 4.32Å; Y54-W247 HydrophobicContact CD1-CG 4.22Å; Y54-W247 HydrophobicContact CE1-CB 4.35Å; L181-W247 HydrophobicContact CD2-CH2 4.1Å; L181-W247 HydrophobicContact CD2-CZ2 3.63Å; M215-W247 HydrophobicContact CB-CH2 3.63Å; M215-W247 HydrophobicContact CB-CZ2 3.63Å; M215-W247 HydrophobicContact CE-CD2 3.99Å; M215-W247 HydrophobicContact CE-CE3 4.09Å; M215-W247 HydrophobicContact CE-CH2 4.24Å; M215-W247 HydrophobicContact CE-CZ2 4.17Å; M215-W247 HydrophobicContact CE-CZ3 4.25Å; M215-W247 HydrophobicContact CG-CH2 4.16Å; M215-W247 HydrophobicContact CG-CZ2 3.69Å; Y245-W247 AromaticContact CD2-CE3 3.41Å; Y245-W247 HydrophobicContact CD2-CE3 3.41Å; Y245-W247 VanDerWaalsContact CD2-CE3 3.41Å; Y245-W247 AromaticContact CD2-CZ3 3.55Å; Y245-W247 HydrophobicContact CD2-CZ3 3.55Å; Y245-W247 HydrophobicContact CE2-CD2 4.26Å; Y245-W247 AromaticContact CE2-CE3 3.15Å; Y245-W247 HydrophobicContact CE2-CE3 3.15Å; Y245-W247 AromaticContact CE2-CH2 3.83Å; Y245-W247 HydrophobicContact CE2-CH2 3.83Å; Y245-W247 AromaticContact CE2-CZ3 2.9Å; Y245-W247 HydrophobicContact CE2-CZ3 2.9Å; Y245-W247 AromaticContact CZ-CZ3 3.51Å; W247-H253 CarbonylContact O-C 3.59Å; W247-I254 WeakPolarHBondContact CA-O 3.41Å; W247-I254 HydrophobicContact CD2-CB 4.31Å; W247-I254 HydrophobicContact CD2-CG2 4.49Å; W247-I254 HydrophobicContact CH2-CG2 3.77Å; W247-I254 HydrophobicContact CZ2-CB 4.21Å; W247-I254 HydrophobicContact CZ2-CD1 4.42Å; W247-I254 HydrophobicContact CZ2-CG2 3.66Å; W247-I254 HydrophobicContact CZ3-CG2 4.14Å; W247-I254 PolarHBondContact O-N 2.88Å; W247-M301 HydrophobicContact CH2-SD 3.95Å
248	D	97.7	Very high	97	Very high	56 Å²	56	26.2 Å²	26.2	30%	0.299	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.5	173.8	-71.1	-21.4	0	0	0	113.1	H253 R295	D248-H253 IonicContact OD1-CE1 3.59Å; D248-H253 IonicContact OD1-CG 3.63Å; D248-H253 IonicContact OD1-ND1 2.67Å; D248-H253 PolarHBondContact OD1-ND1 3.46Å; D248-R295 VanDerWaalsContact OD1-CD 3.31Å; D248-R295 WeakPolarHBondContact OD1-CD 3.45Å; D248-R295 IonicContact OD1-NE 3.89Å; D248-R295 IonicContact OD2-CZ 3.87Å; D248-R295 IonicContact OD2-NE 3.15Å; D248-R295 PolarHBondContact OD2-NE 2.78Å; D248-R295 IonicContact OD2-NH1 3.57Å; D248-R295 PolarHBondContact OD2-NH1 3.02Å
249	L	97.3	Very high	97.3	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.037	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	123	170.8	-174.7	61	0	0	0	111.9	L141 F147 P149 F151 V179 S251 A252	L141-L249 HydrophobicContact CB-CD1 4.26Å; L141-L249 HydrophobicContact CD1-CD1 4.29Å; L141-L249 HydrophobicContact CD2-CD1 4.3Å; L141-L249 HydrophobicContact CD2-CD2 4.38Å; F147-L249 HydrophobicContact CD1-CD1 3.95Å; F147-L249 HydrophobicContact CD1-CG 4.34Å; F147-L249 HydrophobicContact CE1-CD1 4.13Å; F147-L249 HydrophobicContact CE1-CG 4.49Å; P149-L249 HydrophobicContact CB-CD2 3.61Å; P149-L249 HydrophobicContact CB-CG 3.82Å; P149-L249 HydrophobicContact CG-CD2 4.24Å; P149-L249 HydrophobicContact CG-CG 4.02Å; F151-L249 HydrophobicContact CE1-CD2 4.13Å; F151-L249 HydrophobicContact CZ-CD2 3.97Å; V179-L249 HydrophobicContact CG2-CD2 3.43Å; V179-L249 VanDerWaalsContact CG2-CD2 3.43Å; L249-S251 PolarHBondContact O-N 3.2Å; L249-A252 PolarHBondContact N-O 2.77Å; L249-A252 PolarHBondContact O-N 2.98Å; L249-A252 VanDerWaalsContact O-N 3.13Å
250	G	97.1	Very high	97.6	Very high	4 Å²	4	13.6 Å²	13.6	4%	0.041	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	-134	-174.1	0	0	0	0	0	111	S145 A252	S145-G250 WeakPolarHBondContact CA-O 3.41Å; S145-G250 CarbonylContact O-C 3.53Å; G250-A252 PolarHBondContact O-N 2.89Å
251	S	98.2	Very high	97.9	Very high	1 Å²	1	13 Å²	13	1%	0.007	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	13.8	177.5	56.5	0	0	0	0	113.8	S145 L249 R295 P296 W297 V422 N424	S145-S251 PolarHBondContact O-N 3.29Å; L249-S251 PolarHBondContact O-N 3.2Å; S251-R295 CarbonylContact O-C 3.35Å; S251-R295 WeakPolarHBondContact O-CA 3.25Å; S251-P296 WeakPolarHBondContact O-CD 3.42Å; S251-W297 PolarHBondContact O-N 3.18Å; S251-W297 VanDerWaalsContact O-N 3.15Å; S251-V422 VanDerWaalsContact OG-CG1 3.25Å; S251-V422 WeakPolarHBondContact OG-CG1 3.33Å; S251-N424 PolarHBondContact OG-O 2.92Å
252	A	98.5	Very high	98.1	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.6	-177.4	0	0	0	0	0	112.5	L249 G250 I254 W297 I299 V422	L249-A252 PolarHBondContact N-O 2.77Å; L249-A252 PolarHBondContact O-N 2.98Å; L249-A252 VanDerWaalsContact O-N 3.13Å; G250-A252 PolarHBondContact O-N 2.89Å; A252-I254 HydrophobicContact CB-CG1 4.17Å; A252-W297 WeakPolarHBondContact CA-O 3.47Å; A252-W297 HydrophobicContact CB-CB 4.02Å; A252-I299 HydrophobicContact CB-CD1 4.11Å; A252-V422 HydrophobicContact CB-CG1 4.36Å; A252-V422 HydrophobicContact CB-CG2 4.17Å
253	H	98.8	Very high	98.1	Very high	15 Å²	15	9.3 Å²	9.3	7%	0.069	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122	158.8	-176.6	72.5	0	0	0	107.9	W247 D248 D282 W297 I298 I299	W247-H253 CarbonylContact O-C 3.59Å; D248-H253 IonicContact OD1-CE1 3.59Å; D248-H253 IonicContact OD1-CG 3.63Å; D248-H253 IonicContact OD1-ND1 2.67Å; D248-H253 PolarHBondContact OD1-ND1 3.46Å; H253-D282 IonicContact CE1-OD1 3.82Å; H253-D282 IonicContact CE1-OD2 2.71Å; H253-D282 IonicContact NE2-OD1 3.24Å; H253-D282 IonicContact NE2-OD2 3.32Å; H253-D282 PolarHBondContact NE2-OD2 3.04Å; H253-D282 VanDerWaalsContact NE2-OD2 3.08Å; H253-W297 PolarHBondContact N-O 3.16Å; H253-I298 HydrophobicContact CB-CG1 4.19Å; H253-I298 WeakPolarHBondContact O-CA 3.4Å; H253-I299 PolarHBondContact O-N 2.75Å
254	I	98.8	Very high	98.1	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.2	-172.5	-56.3	169.8	0	0	0	108	F151 S246 W247 A252 I299	F151-I254 HydrophobicContact CE1-CD1 3.78Å; F151-I254 HydrophobicContact CZ-CD1 3.79Å; S246-I254 VanDerWaalsContact CA-O 3.25Å; S246-I254 WeakPolarHBondContact CA-O 3.09Å; W247-I254 WeakPolarHBondContact CA-O 3.41Å; W247-I254 HydrophobicContact CD2-CB 4.31Å; W247-I254 HydrophobicContact CD2-CG2 4.49Å; W247-I254 HydrophobicContact CH2-CG2 3.77Å; W247-I254 HydrophobicContact CZ2-CB 4.21Å; W247-I254 HydrophobicContact CZ2-CD1 4.42Å; W247-I254 HydrophobicContact CZ2-CG2 3.66Å; W247-I254 HydrophobicContact CZ3-CG2 4.14Å; W247-I254 PolarHBondContact O-N 2.88Å; A252-I254 HydrophobicContact CB-CG1 4.17Å; I254-I299 CarbonylContact C-O 3.41Å; I254-I299 VanDerWaalsContact CA-O 3.32Å; I254-I299 WeakPolarHBondContact CA-O 3.29Å; I254-I299 HydrophobicContact CG1-CB 4.45Å
255	I	98.9	Very high	98	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.5	-176.1	-53.7	174.8	0	0	0	108.9	W278 L279 D282 L283 I298 I299 T300 M301	I255-W278 HydrophobicContact CG2-CH2 3.99Å; I255-W278 HydrophobicContact CG2-CZ3 4.06Å; I255-L279 HydrophobicContact CD1-CD1 4.41Å; I255-L279 HydrophobicContact CG2-CD1 3.55Å; I255-D282 VanDerWaalsContact CD1-OD2 3.29Å; I255-D282 WeakPolarHBondContact CD1-OD2 3.18Å; I255-D282 WeakPolarHBondContact CG1-OD2 3.22Å; I255-L283 HydrophobicContact CD1-CD2 3.57Å; I255-L283 HydrophobicContact CD1-CG 4.1Å; I255-I298 HydrophobicContact CD1-CG2 4.07Å; I255-I299 PolarHBondContact N-O 3Å; I255-T300 HydrophobicContact CB-CG2 4.28Å; I255-T300 CarbonylContact O-C 3.55Å; I255-T300 VanDerWaalsContact O-CA 3.26Å; I255-T300 WeakPolarHBondContact O-CA 3.5Å; I255-M301 PolarHBondContact O-N 3Å
256	S	98.8	Very high	97.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	136.3	168.6	168.6	0	0	0	0	109.6	T216 C217 W244 Y245 M301	T216-S256 PolarHBondContact O-OG 3.31Å; C217-S256 VanDerWaalsContact CB-OG 3.27Å; C217-S256 WeakPolarHBondContact CB-OG 3.31Å; W244-S256 CarbonylContact C-O 3.59Å; W244-S256 VanDerWaalsContact CA-O 3.23Å; W244-S256 WeakPolarHBondContact CA-O 3.15Å; W244-S256 WeakPolarHBondContact CB-O 3.39Å; Y245-S256 VanDerWaalsContact CE1-CB 3.44Å; Y245-S256 VanDerWaalsContact CE1-OG 3.24Å; Y245-S256 WeakPolarHBondContact CE1-OG 3.26Å; Y245-S256 PolarHBondContact N-O 2.78Å; Y245-S256 PolarHBondContact O-N 2.92Å; Y245-S256 VanDerWaalsContact O-O 3.11Å; S256-M301 WeakPolarHBondContact CA-O 3.49Å
257	F	98.8	Very high	97.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.096	C	C	.	.			trans	-141.6	159.1	174.8	67	-80.6	0	0	0	111.6	L243 W244 T259 M301 L337 F341 W351	L243-F257 CarbonylContact O-C 3.56Å; W244-F257 HydrophobicContact CB-CB 4.25Å; F257-T259 HydrophobicContact CD2-CG2 4.36Å; F257-T259 HydrophobicContact CE2-CG2 3.67Å; F257-T259 HydrophobicContact CZ-CG2 4.38Å; F257-M301 VanDerWaalsContact CD1-O 3.28Å; F257-M301 WeakPolarHBondContact CD1-O 3.44Å; F257-M301 WeakPolarHBondContact CE1-O 3.09Å; F257-M301 PolarHBondContact N-O 3Å; F257-M301 VanDerWaalsContact N-O 3.11Å; F257-L337 HydrophobicContact CD2-CD1 3.75Å; F257-L337 HydrophobicContact CE2-CD1 3.37Å; F257-L337 HydrophobicContact CZ-CD1 4.1Å; F257-F341 HydrophobicContact CD1-CZ 4.16Å; F257-F341 HydrophobicContact CE1-CE2 4.03Å; F257-F341 AromaticContact CE1-CZ 3.74Å; F257-F341 HydrophobicContact CE1-CZ 3.74Å; F257-F341 AromaticContact CZ-CE2 3.89Å; F257-F341 HydrophobicContact CZ-CE2 3.89Å; F257-F341 AromaticContact CZ-CZ 3.94Å; F257-F341 HydrophobicContact CZ-CZ 3.94Å; F257-W351 HydrophobicContact CE1-CZ3 4.49Å; F257-W351 HydrophobicContact CE2-CH2 4.46Å; F257-W351 HydrophobicContact CE2-CZ3 4.24Å; F257-W351 AromaticContact CZ-CH2 3.63Å; F257-W351 HydrophobicContact CZ-CH2 3.63Å; F257-W351 AromaticContact CZ-CZ3 3.56Å; F257-W351 HydrophobicContact CZ-CZ3 3.56Å
258	S	98.6	Very high	97.4	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	10%	0.104	C	C	.	.			trans	-91.9	117.6	177.2	177.6	0	0	0	0	109.5	P218 L243 E260 V261 Q275	P218-S258 WeakPolarHBondContact CG-OG 3.38Å; L243-S258 WeakPolarHBondContact O-CB 2.96Å; L243-S258 PolarHBondContact O-N 2.75Å; L243-S258 VanDerWaalsContact O-N 3.15Å; S258-E260 PolarHBondContact OG-N 3.36Å; S258-V261 WeakPolarHBondContact O-CG2 3.29Å; S258-Q275 PolarHBondContact O-NE2 3.36Å; S258-Q275 PolarHBondContact O-OE1 2.9Å
259	T	98.5	Very high	97.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-69.3	-26.8	167.9	41.1	0	0	0	0	111.4	F257 V261 Y262 F263 H303 R304 V323 W351	F257-T259 HydrophobicContact CD2-CG2 4.36Å; F257-T259 HydrophobicContact CE2-CG2 3.67Å; F257-T259 HydrophobicContact CZ-CG2 4.38Å; T259-V261 VanDerWaalsContact C-N 3.26Å; T259-V261 PolarHBondContact O-N 3.46Å; T259-Y262 WeakPolarHBondContact O-CB 3.4Å; T259-Y262 WeakPolarHBondContact O-CD2 3Å; T259-Y262 PolarHBondContact O-N 2.81Å; T259-F263 WeakPolarHBondContact O-CD2 3.3Å; T259-H303 PolarHBondContact OG1-N 2.91Å; T259-R304 HydrophobicContact CG2-CB 4.14Å; T259-R304 WeakPolarHBondContact CG2-O 3.38Å; T259-R304 PolarHBondContact OG1-N 3.05Å; T259-V323 HydrophobicContact CG2-CG1 4.11Å; T259-V323 HydrophobicContact CG2-CG2 4.09Å; T259-W351 HydrophobicContact CG2-CZ3 4.13Å
260	E	98.1	Very high	97.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-68.2	-20.7	-171.7	-50.4	-41.7	108.8	0	0	114	G219 N220 F227 S258 Y262 F263 Y264 H303 R304	G219-E260 WeakPolarHBondContact O-CG 3.21Å; N220-E260 WeakPolarHBondContact CA-OE2 3.01Å; N220-E260 WeakPolarHBondContact CB-OE2 3.4Å; N220-E260 PolarHBondContact N-OE2 2.79Å; F227-E260 HydrophobicContact CE1-CB 3.77Å; F227-E260 HydrophobicContact CE1-CG 4Å; F227-E260 HydrophobicContact CZ-CB 3.54Å; F227-E260 HydrophobicContact CZ-CG 4.29Å; S258-E260 PolarHBondContact OG-N 3.36Å; E260-Y262 PolarHBondContact O-N 2.92Å; E260-Y262 VanDerWaalsContact O-N 3.12Å; E260-F263 PolarHBondContact O-N 3.05Å; E260-Y264 HydrophobicContact CB-CD2 3.84Å; E260-Y264 HydrophobicContact CB-CE2 4.12Å; E260-Y264 WeakPolarHBondContact O-CD2 3.46Å; E260-Y264 PolarHBondContact O-N 3.13Å; E260-Y264 WeakPolarHBondContact OE2-CE2 3.46Å; E260-H303 IonicContact OE1-CD2 2.76Å; E260-R304 WeakPolarHBondContact OE1-CD 3.44Å; E260-R304 IonicContact OE1-NE 2.98Å; E260-R304 IonicContact OE2-NE 2.93Å; E260-R304 PolarHBondContact OE2-NE 3.22Å
261	V	97.2	Very high	97.1	Very high	9 Å²	9	27 Å²	27	6%	0.055	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-59	-25.2	172.5	-56.9	0	0	0	0	112	W244 S258 T259 L271 I272	W244-V261 HydrophobicContact CZ3-CG1 4.05Å; S258-V261 WeakPolarHBondContact O-CG2 3.29Å; T259-V261 VanDerWaalsContact C-N 3.26Å; T259-V261 PolarHBondContact O-N 3.46Å; V261-L271 HydrophobicContact CB-CB 4.33Å; V261-L271 HydrophobicContact CG1-CB 4.03Å; V261-I272 HydrophobicContact CB-CG1 4.06Å; V261-I272 HydrophobicContact CG2-CB 4.46Å; V261-I272 HydrophobicContact CG2-CG1 4.02Å; V261-I272 VanDerWaalsContact O-CD1 3.29Å; V261-I272 WeakPolarHBondContact O-CD1 3.49Å; V261-I272 WeakPolarHBondContact O-CG1 3.15Å
262	Y	97.3	Very high	97	Very high	1 Å²	1	27 Å²	27	0%	0.004	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-78	-18.2	176	-71.7	-95.2	0	0	0	113.4	T259 E260 I272 W322 R327 P335 L337	T259-Y262 WeakPolarHBondContact O-CB 3.4Å; T259-Y262 WeakPolarHBondContact O-CD2 3Å; T259-Y262 PolarHBondContact O-N 2.81Å; E260-Y262 PolarHBondContact O-N 2.92Å; E260-Y262 VanDerWaalsContact O-N 3.12Å; Y262-I272 HydrophobicContact CD1-CG2 4.34Å; Y262-I272 HydrophobicContact CE1-CG2 3.85Å; Y262-I272 HydrophobicContact CE2-CG2 4.32Å; Y262-W322 HydrophobicContact CD1-CB 4.5Å; Y262-W322 WeakPolarHBondContact CD1-O 3.47Å; Y262-R327 HydrophobicContact CD1-CG 4.42Å; Y262-R327 WeakPolarHBondContact O-CD 3.29Å; Y262-R327 PolarHBondContact O-NH1 3.42Å; Y262-P335 VanDerWaalsContact CE1-O 3.24Å; Y262-P335 WeakPolarHBondContact CE1-O 3.4Å; Y262-P335 PolarHBondContact OH-O 2.73Å; Y262-L337 HydrophobicContact CE2-CD1 4.09Å; Y262-L337 HydrophobicContact CE2-CG 4.23Å; Y262-L337 WeakPolarHBondContact OH-CD2 3.3Å; Y262-L337 WeakPolarHBondContact OH-CG 3.24Å
263	F	97	Very high	97	Very high	40 Å²	40	29.7 Å²	29.7	18%	0.175	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-33.1	-171.7	-64.1	-96.2	0	0	0	112.8	T259 E260 D315 W322 V323	T259-F263 WeakPolarHBondContact O-CD2 3.3Å; E260-F263 PolarHBondContact O-N 3.05Å; F263-D315 HydrophobicContact CE1-CB 3.93Å; F263-D315 HydrophobicContact CZ-CB 3.97Å; F263-W322 AromaticContact CD1-CE3 3.43Å; F263-W322 HydrophobicContact CD1-CE3 3.43Å; F263-W322 VanDerWaalsContact CD1-CE3 3.43Å; F263-W322 AromaticContact CD1-CZ3 3.51Å; F263-W322 HydrophobicContact CD1-CZ3 3.51Å; F263-W322 HydrophobicContact CE1-CD2 4.36Å; F263-W322 AromaticContact CE1-CE3 3.37Å; F263-W322 HydrophobicContact CE1-CE3 3.37Å; F263-W322 AromaticContact CE1-CZ3 3.81Å; F263-W322 HydrophobicContact CE1-CZ3 3.81Å; F263-W322 HydrophobicContact CG-CE3 4.11Å; F263-W322 HydrophobicContact CG-CZ3 4.34Å; F263-W322 HydrophobicContact CZ-CB 4.38Å; F263-W322 HydrophobicContact CZ-CE3 4.02Å; F263-V323 HydrophobicContact CE2-CG2 3.68Å; F263-V323 HydrophobicContact CZ-CG2 4.15Å
264	Y	96.6	Very high	97	Very high	53 Å²	53	34.4 Å²	34.4	21%	0.208	16%	0.164	C	C	.	.			trans	-107.3	64.8	-176.5	-59.7	-84.5	0	0	0	112.6	N220 S223 F227 E260 E266 Y267	N220-Y264 HydrophobicContact CB-CE2 4.19Å; N220-Y264 VanDerWaalsContact CB-OH 3.22Å; N220-Y264 WeakPolarHBondContact CB-OH 3.33Å; N220-Y264 PolarHBondContact O-OH 3.09Å; S223-Y264 VanDerWaalsContact CB-CE1 3.47Å; S223-Y264 VanDerWaalsContact OG-CE1 3.31Å; S223-Y264 WeakPolarHBondContact OG-CE1 3.41Å; S223-Y264 VanDerWaalsContact OG-CZ 3.25Å; S223-Y264 PolarHBondContact OG-OH 2.91Å; F227-Y264 HydrophobicContact CZ-CD2 4.1Å; E260-Y264 HydrophobicContact CB-CD2 3.84Å; E260-Y264 HydrophobicContact CB-CE2 4.12Å; E260-Y264 WeakPolarHBondContact O-CD2 3.46Å; E260-Y264 PolarHBondContact O-N 3.13Å; E260-Y264 WeakPolarHBondContact OE2-CE2 3.46Å; Y264-E266 WeakPolarHBondContact CA-OE2 3.43Å; Y264-E266 PolarHBondContact O-N 3.06Å; Y264-Y267 HydrophobicContact CD1-CE2 4.24Å; Y264-Y267 HydrophobicContact CG-CD2 4.38Å; Y264-Y267 HydrophobicContact CG-CE2 4.35Å; Y264-Y267 PolarHBondContact O-N 3.26Å
265	L	95.5	Very high	96.9	Very high	36 Å²	36	34.4 Å²	34.4	19%	0.188	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-62.4	-25.2	-176.1	-60.1	-172.7	0	0	0	113.7	Y267 G268 M269 I272 I330	L265-Y267 PolarHBondContact O-N 3.06Å; L265-G268 CarbonylContact O-C 3.59Å; L265-G268 PolarHBondContact O-N 2.98Å; L265-G268 VanDerWaalsContact O-N 3.07Å; L265-M269 HydrophobicContact CB-CG 3.78Å; L265-M269 HydrophobicContact CD1-CG 4.35Å; L265-M269 HydrophobicContact CD1-SD 4.21Å; L265-M269 HydrophobicContact CD2-CG 4.15Å; L265-M269 HydrophobicContact CG-CG 4.32Å; L265-M269 PolarHBondContact O-N 3.14Å; L265-I272 HydrophobicContact CD2-CD1 3.41Å; L265-I272 VanDerWaalsContact CD2-CD1 3.41Å; L265-I272 HydrophobicContact CD2-CG1 4.46Å; L265-I330 HydrophobicContact CD1-CG2 3.69Å
266	E	96	Very high	96.9	Very high	133 Å²	133	36.8 Å²	36.8	62%	0.621	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-61.8	-22.9	177.2	65.1	-89.9	-147.2	0	0	113.3	Y264 G268	Y264-E266 WeakPolarHBondContact CA-OE2 3.43Å; Y264-E266 PolarHBondContact O-N 3.06Å; E266-G268 VanDerWaalsContact C-N 3.32Å
267	Y	94.8	Very high	96.9	Very high	71 Å²	71	40.9 Å²	40.9	28%	0.278	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-87.2	-3.3	176.7	-61.9	-39.8	0	0	0	113.8	S223 N226 F227 Y264 L265	S223-Y267 WeakPolarHBondContact O-CE2 3.31Å; S223-Y267 PolarHBondContact O-OH 3.44Å; N226-Y267 HydrophobicContact CB-CD1 3.61Å; N226-Y267 HydrophobicContact CB-CD2 4.44Å; N226-Y267 HydrophobicContact CB-CE1 3.82Å; N226-Y267 HydrophobicContact CB-CG 3.97Å; N226-Y267 PolarHBondContact N-OH 3.43Å; N226-Y267 WeakPolarHBondContact OD1-CB 3.43Å; F227-Y267 HydrophobicContact CD2-CD2 4.3Å; F227-Y267 AromaticContact CE2-CD2 3.77Å; F227-Y267 HydrophobicContact CE2-CD2 3.77Å; F227-Y267 HydrophobicContact CE2-CE2 4.28Å; Y264-Y267 HydrophobicContact CD1-CE2 4.24Å; Y264-Y267 HydrophobicContact CG-CD2 4.38Å; Y264-Y267 HydrophobicContact CG-CE2 4.35Å; Y264-Y267 PolarHBondContact O-N 3.26Å; L265-Y267 PolarHBondContact O-N 3.06Å
268	G	93.7	Very high	96.9	Very high	18 Å²	18	43.7 Å²	43.7	19%	0.186	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	134.2	100.8	173.4	0	0	0	0	0	111.5	L265 E266 D270 L271	L265-G268 CarbonylContact O-C 3.59Å; L265-G268 PolarHBondContact O-N 2.98Å; L265-G268 VanDerWaalsContact O-N 3.07Å; E266-G268 VanDerWaalsContact C-N 3.32Å; G268-D270 PolarHBondContact O-N 3.43Å; G268-D270 VanDerWaalsContact O-N 3.12Å; G268-L271 VanDerWaalsContact O-CB 3.23Å; G268-L271 WeakPolarHBondContact O-CB 3.33Å; G268-L271 VanDerWaalsContact O-CG 3.29Å; G268-L271 WeakPolarHBondContact O-CG 3.4Å; G268-L271 PolarHBondContact O-N 2.85Å
269	M	93.6	Very high	96.9	Very high	87 Å²	87	43.7 Å²	43.7	43%	0.429	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-26.4	174.4	-74.1	-159	-66.4	0	0	113.4	L265 L271 I272 I330	L265-M269 HydrophobicContact CB-CG 3.78Å; L265-M269 HydrophobicContact CD1-CG 4.35Å; L265-M269 HydrophobicContact CD1-SD 4.21Å; L265-M269 HydrophobicContact CD2-CG 4.15Å; L265-M269 HydrophobicContact CG-CG 4.32Å; L265-M269 PolarHBondContact O-N 3.14Å; M269-L271 PolarHBondContact O-N 3.45Å; M269-I272 PolarHBondContact O-N 3.34Å; M269-I330 HydrophobicContact SD-CB 4.25Å; M269-I330 HydrophobicContact SD-CD1 4.28Å; M269-I330 HydrophobicContact SD-CG2 4.16Å
270	D	95	Very high	96.9	Very high	78 Å²	78	47.2 Å²	47.2	42%	0.417	22%	0.221	S	C	.	.	H	α-helix	trans	-67	-19.8	176.8	64.5	-61.8	0	0	0	113.1	G268 I272 F273 K274	G268-D270 PolarHBondContact O-N 3.43Å; G268-D270 VanDerWaalsContact O-N 3.12Å; D270-I272 VanDerWaalsContact C-N 3.3Å; D270-I272 PolarHBondContact O-N 2.92Å; D270-F273 PolarHBondContact O-N 3.24Å; D270-K274 WeakPolarHBondContact O-CB 3Å; D270-K274 WeakPolarHBondContact O-CG 3.48Å; D270-K274 PolarHBondContact O-N 3.14Å; D270-K274 WeakPolarHBondContact OD2-CE 3.31Å; D270-K274 IonicContact OD2-NZ 2.66Å; D270-K274 PolarHBondContact OD2-NZ 3.41Å
271	L	96.4	Very high	96.9	Very high	24 Å²	24	53.2 Å²	53.2	13%	0.126	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-37.5	176.4	-63.3	173.3	0	0	0	111.8	W244 V261 G268 M269 F273 K274 Q275	W244-L271 HydrophobicContact CH2-CB 4.48Å; W244-L271 HydrophobicContact CH2-CD2 3.96Å; V261-L271 HydrophobicContact CB-CB 4.33Å; V261-L271 HydrophobicContact CG1-CB 4.03Å; G268-L271 VanDerWaalsContact O-CB 3.23Å; G268-L271 WeakPolarHBondContact O-CB 3.33Å; G268-L271 VanDerWaalsContact O-CG 3.29Å; G268-L271 WeakPolarHBondContact O-CG 3.4Å; G268-L271 PolarHBondContact O-N 2.85Å; M269-L271 PolarHBondContact O-N 3.45Å; L271-F273 VanDerWaalsContact C-N 3.34Å; L271-F273 PolarHBondContact O-N 2.92Å; L271-K274 PolarHBondContact O-N 3.49Å; L271-Q275 WeakPolarHBondContact O-CB 3.11Å; L271-Q275 PolarHBondContact O-N 3.28Å
272	I	97.1	Very high	97	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.8	-49.1	176.1	-58.5	165.5	0	0	0	110.4	V261 Y262 L265 M269 D270 Q275 Y276 I330 A334	V261-I272 HydrophobicContact CB-CG1 4.06Å; V261-I272 HydrophobicContact CG2-CB 4.46Å; V261-I272 HydrophobicContact CG2-CG1 4.02Å; V261-I272 VanDerWaalsContact O-CD1 3.29Å; V261-I272 WeakPolarHBondContact O-CD1 3.49Å; V261-I272 WeakPolarHBondContact O-CG1 3.15Å; Y262-I272 HydrophobicContact CD1-CG2 4.34Å; Y262-I272 HydrophobicContact CE1-CG2 3.85Å; Y262-I272 HydrophobicContact CE2-CG2 4.32Å; L265-I272 HydrophobicContact CD2-CD1 3.41Å; L265-I272 VanDerWaalsContact CD2-CD1 3.41Å; L265-I272 HydrophobicContact CD2-CG1 4.46Å; M269-I272 PolarHBondContact O-N 3.34Å; D270-I272 VanDerWaalsContact C-N 3.3Å; D270-I272 PolarHBondContact O-N 2.92Å; I272-Q275 PolarHBondContact O-N 2.84Å; I272-Y276 VanDerWaalsContact O-CB 3.3Å; I272-Y276 WeakPolarHBondContact O-CB 3.39Å; I272-Y276 PolarHBondContact O-N 2.79Å; I272-I330 HydrophobicContact CD1-CD1 4.23Å; I272-A334 HydrophobicContact CB-CB 4.45Å; I272-A334 HydrophobicContact CD1-CB 4.16Å; I272-A334 HydrophobicContact CG2-CB 3.69Å
273	F	97.8	Very high	97.1	Very high	56 Å²	56	53.7 Å²	53.7	25%	0.246	25%	0.251	C	S	.	.	H	α-helix	trans	-70.1	-36.4	-178.5	-62.5	-79	0	0	0	112.2	D270 L271 N277 P332 A334	D270-F273 PolarHBondContact O-N 3.24Å; L271-F273 VanDerWaalsContact C-N 3.34Å; L271-F273 PolarHBondContact O-N 2.92Å; F273-N277 VanDerWaalsContact O-CB 3.31Å; F273-N277 WeakPolarHBondContact O-CB 3.44Å; F273-N277 VanDerWaalsContact O-CG 3.23Å; F273-N277 PolarHBondContact O-N 3.09Å; F273-N277 PolarHBondContact O-ND2 3.18Å; F273-P332 HydrophobicContact CE1-CG 4.16Å; F273-P332 HydrophobicContact CE2-CG 4.24Å; F273-P332 HydrophobicContact CZ-CB 4.44Å; F273-P332 HydrophobicContact CZ-CG 3.7Å; F273-A334 HydrophobicContact CE1-CB 4.4Å; F273-A334 HydrophobicContact CZ-CB 4.01Å
274	K	97.9	Very high	97.2	Very high	115 Å²	115	55.7 Å²	55.7	50%	0.5	26%	0.261	S	S	.	.	H	α-helix	trans	-62.7	-49.9	174.6	-77.3	170.8	172.2	169.4	0	111.2	W244 D270 L271 N277 W278	W244-K274 HydrophobicContact CZ2-CB 4.32Å; D270-K274 WeakPolarHBondContact O-CB 3Å; D270-K274 WeakPolarHBondContact O-CG 3.48Å; D270-K274 PolarHBondContact O-N 3.14Å; D270-K274 WeakPolarHBondContact OD2-CE 3.31Å; D270-K274 IonicContact OD2-NZ 2.66Å; D270-K274 PolarHBondContact OD2-NZ 3.41Å; L271-K274 PolarHBondContact O-N 3.49Å; K274-N277 PolarHBondContact O-N 3.07Å; K274-W278 WeakPolarHBondContact O-CB 3.49Å; K274-W278 PolarHBondContact O-N 3.4Å
275	Q	98.2	Very high	97.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-48.7	177.1	-177.6	175.2	-88	0	0	110.9	W244 S258 L271 I272 N277 W278 L279	W244-Q275 HydrophobicContact CB-CG 4.25Å; W244-Q275 HydrophobicContact CD2-CB 3.96Å; W244-Q275 HydrophobicContact CD2-CG 3.9Å; W244-Q275 HydrophobicContact CE3-CB 3.97Å; W244-Q275 HydrophobicContact CE3-CG 4.03Å; W244-Q275 HydrophobicContact CG-CG 4Å; W244-Q275 HydrophobicContact CH2-CB 4.35Å; W244-Q275 HydrophobicContact CZ2-CB 4.35Å; W244-Q275 HydrophobicContact CZ3-CB 4.17Å; S258-Q275 PolarHBondContact O-NE2 3.36Å; S258-Q275 PolarHBondContact O-OE1 2.9Å; L271-Q275 WeakPolarHBondContact O-CB 3.11Å; L271-Q275 PolarHBondContact O-N 3.28Å; I272-Q275 PolarHBondContact O-N 2.84Å; Q275-N277 PolarHBondContact O-N 3.1Å; Q275-W278 PolarHBondContact O-N 3.46Å; Q275-L279 WeakPolarHBondContact O-CB 3.18Å; Q275-L279 PolarHBondContact O-N 3.26Å
276	Y	98.6	Very high	97.4	Very high	51 Å²	51	55.9 Å²	55.9	20%	0.2	26%	0.264	C	S	.	.	H	α-helix	trans	-58.9	-45.4	-179.9	-176.3	-88.8	0	0	0	112.4	I272 L279 K280 P335 G336 L337 L340	I272-Y276 VanDerWaalsContact O-CB 3.3Å; I272-Y276 WeakPolarHBondContact O-CB 3.39Å; I272-Y276 PolarHBondContact O-N 2.79Å; Y276-L279 PolarHBondContact O-N 3.16Å; Y276-K280 WeakPolarHBondContact O-CB 3.33Å; Y276-K280 PolarHBondContact O-N 3.01Å; Y276-P335 HydrophobicContact CD1-CB 4.5Å; Y276-P335 HydrophobicContact CD1-CG 3.72Å; Y276-P335 HydrophobicContact CD2-CB 3.83Å; Y276-P335 HydrophobicContact CD2-CG 3.33Å; Y276-P335 HydrophobicContact CE1-CB 4.25Å; Y276-P335 HydrophobicContact CE1-CG 3.94Å; Y276-P335 HydrophobicContact CE2-CB 3.53Å; Y276-P335 HydrophobicContact CE2-CG 3.57Å; Y276-P335 HydrophobicContact CG-CB 4.3Å; Y276-P335 HydrophobicContact CG-CG 3.4Å; Y276-G336 WeakPolarHBondContact CE2-O 3.41Å; Y276-L337 HydrophobicContact CD2-CD2 3.94Å; Y276-L337 HydrophobicContact CE2-CD2 4.43Å; Y276-L340 HydrophobicContact CD2-CD2 4.13Å; Y276-L340 HydrophobicContact CE2-CB 4.2Å; Y276-L340 HydrophobicContact CE2-CD1 4.48Å; Y276-L340 HydrophobicContact CE2-CD2 3.83Å; Y276-L340 HydrophobicContact CE2-CG 4.4Å
277	N	98.5	Very high	97.5	Very high	85 Å²	85	51.7 Å²	51.7	46%	0.455	25%	0.246	S	C	.	.	H	α-helix	trans	-66.3	-41.1	178.7	-74.4	-39.5	0	0	0	112.1	F273 K274 Q275 Q281	F273-N277 VanDerWaalsContact O-CB 3.31Å; F273-N277 WeakPolarHBondContact O-CB 3.44Å; F273-N277 VanDerWaalsContact O-CG 3.23Å; F273-N277 PolarHBondContact O-N 3.09Å; F273-N277 PolarHBondContact O-ND2 3.18Å; K274-N277 PolarHBondContact O-N 3.07Å; Q275-N277 PolarHBondContact O-N 3.1Å; N277-Q281 VanDerWaalsContact O-CG 3.28Å; N277-Q281 WeakPolarHBondContact O-CG 3.44Å; N277-Q281 PolarHBondContact O-N 2.82Å; N277-Q281 VanDerWaalsContact O-N 3.12Å
278	W	98.7	Very high	97.7	Very high	60 Å²	60	52 Å²	52	23%	0.227	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-48.6	174.4	171.2	83	0	0	0	111	W244 Y245 I255 K274 Q275 K280 Q281 D282	W244-W278 HydrophobicContact CB-CE3 4.28Å; W244-W278 HydrophobicContact CB-CZ3 4.06Å; W244-W278 AromaticContact CD1-CD2 3.42Å; W244-W278 VanDerWaalsContact CD1-CD2 3.42Å; W244-W278 AromaticContact CD1-CE2 3.98Å; W244-W278 AromaticContact CD1-CE3 3.34Å; W244-W278 AromaticContact CD1-CG 3.9Å; W244-W278 AromaticContact CD1-CZ3 3.86Å; W244-W278 HydrophobicContact CG-CD2 4.5Å; W244-W278 HydrophobicContact CG-CE3 4.05Å; W244-W278 HydrophobicContact CG-CZ3 4.31Å; W244-W278 AromaticContact NE1-CD2 3.92Å; W244-W278 AromaticContact NE1-CG 3.89Å; Y245-W278 VanDerWaalsContact CA-CH2 3.49Å; I255-W278 HydrophobicContact CG2-CH2 3.99Å; I255-W278 HydrophobicContact CG2-CZ3 4.06Å; K274-W278 WeakPolarHBondContact O-CB 3.49Å; K274-W278 PolarHBondContact O-N 3.4Å; Q275-W278 PolarHBondContact O-N 3.46Å; W278-K280 VanDerWaalsContact C-N 3.33Å; W278-K280 PolarHBondContact O-N 2.99Å; W278-Q281 WeakPolarHBondContact O-CB 3.49Å; W278-Q281 PolarHBondContact O-N 2.95Å; W278-Q281 VanDerWaalsContact O-N 3.09Å; W278-D282 HydrophobicContact CH2-CB 4.46Å; W278-D282 HydrophobicContact CZ2-CB 4.29Å; W278-D282 WeakPolarHBondContact O-CB 3.14Å; W278-D282 PolarHBondContact O-N 2.88Å
279	L	98.8	Very high	97.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.3	-41.8	-179	-176.5	61.5	0	0	0	111.8	I255 Q275 Y276 Q281 D282 L283 L337 L340 F341	I255-L279 HydrophobicContact CD1-CD1 4.41Å; I255-L279 HydrophobicContact CG2-CD1 3.55Å; Q275-L279 WeakPolarHBondContact O-CB 3.18Å; Q275-L279 PolarHBondContact O-N 3.26Å; Y276-L279 PolarHBondContact O-N 3.16Å; L279-Q281 PolarHBondContact O-N 3.4Å; L279-D282 PolarHBondContact O-N 2.9Å; L279-L283 HydrophobicContact CD1-CD1 4.32Å; L279-L283 HydrophobicContact CG-CD1 4.08Å; L279-L283 WeakPolarHBondContact O-CB 3.27Å; L279-L283 VanDerWaalsContact O-CG 3.26Å; L279-L283 WeakPolarHBondContact O-CG 3.06Å; L279-L283 PolarHBondContact O-N 3.21Å; L279-L337 HydrophobicContact CD2-CD2 3.75Å; L279-L340 HydrophobicContact CB-CD2 4.3Å; L279-L340 HydrophobicContact CD2-CD2 3.66Å; L279-L340 HydrophobicContact CG-CD2 3.78Å; L279-F341 HydrophobicContact CD1-CE1 4.02Å; L279-F341 HydrophobicContact CD2-CE1 3.59Å; L279-F341 HydrophobicContact CD2-CZ 3.81Å; L279-F341 HydrophobicContact CG-CE1 4.05Å
280	K	98.8	Very high	98	Very high	75 Å²	75	57.6 Å²	57.6	33%	0.326	28%	0.278	S	S	.	.	H	α-helix	trans	-60.2	-44.7	173.6	-176.2	173.2	-177.2	-75.5	0	111.8	Y276 W278 E284 L340 Y344	Y276-K280 WeakPolarHBondContact O-CB 3.33Å; Y276-K280 PolarHBondContact O-N 3.01Å; W278-K280 VanDerWaalsContact C-N 3.33Å; W278-K280 PolarHBondContact O-N 2.99Å; K280-E284 IonicContact NZ-OE1 2.65Å; K280-E284 PolarHBondContact NZ-OE1 2.67Å; K280-E284 WeakPolarHBondContact O-CB 3.39Å; K280-E284 VanDerWaalsContact O-CG 3.23Å; K280-E284 WeakPolarHBondContact O-CG 3.4Å; K280-E284 PolarHBondContact O-N 3.36Å; K280-L340 HydrophobicContact CB-CD1 4.08Å; K280-L340 HydrophobicContact CG-CD1 4.13Å; K280-Y344 HydrophobicContact CG-CE2 4.27Å
281	Q	98.8	Very high	98.1	Very high	125 Å²	125	55.7 Å²	55.7	58%	0.584	27%	0.268	S	S	*	.	H	α-helix	trans	-65.8	-41.5	179	-71.3	169.2	11.1	0	0	111.9	N277 W278 L279 E284 E285	N277-Q281 VanDerWaalsContact O-CG 3.28Å; N277-Q281 WeakPolarHBondContact O-CG 3.44Å; N277-Q281 PolarHBondContact O-N 2.82Å; N277-Q281 VanDerWaalsContact O-N 3.12Å; W278-Q281 WeakPolarHBondContact O-CB 3.49Å; W278-Q281 PolarHBondContact O-N 2.95Å; W278-Q281 VanDerWaalsContact O-N 3.09Å; L279-Q281 PolarHBondContact O-N 3.4Å; Q281-E284 WeakPolarHBondContact O-CB 3.24Å; Q281-E284 PolarHBondContact O-N 2.98Å; Q281-E285 PolarHBondContact O-N 3.09Å
282	D	98.8	Very high	98.1	Very high	21 Å²	21	55.7 Å²	55.7	11%	0.112	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-45.6	177.2	-172.3	70.7	0	0	0	111.2	S246 H253 I255 W278 L279 E284 E285 A286	S246-D282 WeakPolarHBondContact CB-OD1 3.18Å; S246-D282 WeakPolarHBondContact CB-OD2 3.4Å; S246-D282 PolarHBondContact OG-OD1 2.97Å; H253-D282 IonicContact CE1-OD1 3.82Å; H253-D282 IonicContact CE1-OD2 2.71Å; H253-D282 IonicContact NE2-OD1 3.24Å; H253-D282 IonicContact NE2-OD2 3.32Å; H253-D282 PolarHBondContact NE2-OD2 3.04Å; H253-D282 VanDerWaalsContact NE2-OD2 3.08Å; I255-D282 VanDerWaalsContact CD1-OD2 3.29Å; I255-D282 WeakPolarHBondContact CD1-OD2 3.18Å; I255-D282 WeakPolarHBondContact CG1-OD2 3.22Å; W278-D282 HydrophobicContact CH2-CB 4.46Å; W278-D282 HydrophobicContact CZ2-CB 4.29Å; W278-D282 WeakPolarHBondContact O-CB 3.14Å; W278-D282 PolarHBondContact O-N 2.88Å; L279-D282 PolarHBondContact O-N 2.9Å; D282-E284 PolarHBondContact O-N 3.13Å; D282-E285 WeakPolarHBondContact O-CB 3.41Å; D282-E285 PolarHBondContact O-N 2.81Å; D282-A286 WeakPolarHBondContact O-CB 3.38Å; D282-A286 PolarHBondContact O-N 3.03Å
283	L	98.8	Very high	98.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.6	-36.1	174.5	-72	167.2	0	0	0	113.2	I255 L279 N287 I298 L340 F341 Y344 V346	I255-L283 HydrophobicContact CD1-CD2 3.57Å; I255-L283 HydrophobicContact CD1-CG 4.1Å; L279-L283 HydrophobicContact CD1-CD1 4.32Å; L279-L283 HydrophobicContact CG-CD1 4.08Å; L279-L283 WeakPolarHBondContact O-CB 3.27Å; L279-L283 VanDerWaalsContact O-CG 3.26Å; L279-L283 WeakPolarHBondContact O-CG 3.06Å; L279-L283 PolarHBondContact O-N 3.21Å; L283-N287 VanDerWaalsContact O-CB 3.31Å; L283-N287 WeakPolarHBondContact O-CB 3.15Å; L283-N287 PolarHBondContact O-N 2.92Å; L283-N287 PolarHBondContact O-ND2 2.83Å; L283-I298 HydrophobicContact CD2-CD1 4.36Å; L283-I298 HydrophobicContact CD2-CG2 4.04Å; L283-L340 HydrophobicContact CD1-CD1 4.44Å; L283-L340 HydrophobicContact CD1-CD2 4.03Å; L283-L340 HydrophobicContact CD1-CG 3.84Å; L283-F341 HydrophobicContact CD1-CD1 4Å; L283-F341 HydrophobicContact CD1-CE1 4.25Å; L283-Y344 HydrophobicContact CB-CD1 3.74Å; L283-Y344 HydrophobicContact CB-CD2 4.01Å; L283-Y344 HydrophobicContact CB-CE1 4.31Å; L283-Y344 HydrophobicContact CB-CG 3.57Å; L283-Y344 HydrophobicContact CD1-CD2 4.03Å; L283-Y344 HydrophobicContact CD1-CG 4.16Å; L283-Y344 HydrophobicContact CG-CG 4.36Å; L283-V346 HydrophobicContact CD2-CG2 4.05Å
284	E	98.7	Very high	98	Very high	81 Å²	81	60.6 Å²	60.6	38%	0.379	30%	0.304	S	S	.	.	H	α-helix	trans	-61.8	-43.6	172	-78	171.3	172.5	0	0	111.4	K280 Q281 D282 N287 K288 Y344	K280-E284 IonicContact NZ-OE1 2.65Å; K280-E284 PolarHBondContact NZ-OE1 2.67Å; K280-E284 WeakPolarHBondContact O-CB 3.39Å; K280-E284 VanDerWaalsContact O-CG 3.23Å; K280-E284 WeakPolarHBondContact O-CG 3.4Å; K280-E284 PolarHBondContact O-N 3.36Å; Q281-E284 WeakPolarHBondContact O-CB 3.24Å; Q281-E284 PolarHBondContact O-N 2.98Å; D282-E284 PolarHBondContact O-N 3.13Å; E284-N287 PolarHBondContact O-N 2.72Å; E284-K288 PolarHBondContact O-N 2.9Å; E284-Y344 HydrophobicContact CB-CE1 4.26Å; E284-Y344 HydrophobicContact CG-CE1 3.45Å; E284-Y344 VanDerWaalsContact CG-CE1 3.45Å; E284-Y344 WeakPolarHBondContact CG-OH 3.47Å; E284-Y344 PolarHBondContact OE1-OH 3.09Å
285	E	98.6	Very high	98	Very high	86 Å²	86	57.5 Å²	57.5	40%	0.402	29%	0.289	S	S	.	.	H	α-helix	trans	-64.3	-50.7	176.3	-173.7	64	-139.8	0	0	111.3	Q281 D282 N287 K288 N291	Q281-E285 PolarHBondContact O-N 3.09Å; D282-E285 WeakPolarHBondContact O-CB 3.41Å; D282-E285 PolarHBondContact O-N 2.81Å; E285-N287 PolarHBondContact O-N 3.12Å; E285-K288 WeakPolarHBondContact O-CB 3.27Å; E285-K288 WeakPolarHBondContact O-CG 3.24Å; E285-K288 PolarHBondContact O-N 2.8Å; E285-K288 WeakPolarHBondContact OE1-CD 3.38Å; E285-K288 WeakPolarHBondContact OE1-CE 3.37Å; E285-K288 IonicContact OE1-NZ 3.16Å; E285-K288 PolarHBondContact OE1-NZ 3.35Å; E285-K288 WeakPolarHBondContact OE2-CE 3.35Å; E285-K288 IonicContact OE2-NZ 2.9Å; E285-K288 PolarHBondContact OE2-NZ 2.9Å; E285-N291 PolarHBondContact O-ND2 3.28Å; E285-N291 PolarHBondContact OE1-ND2 2.58Å
286	A	98.4	Very high	98	Very high	7 Å²	7	58 Å²	58	6%	0.058	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-28.7	-179.7	0	0	0	0	0	112.8	D282 R292 I298	D282-A286 WeakPolarHBondContact O-CB 3.38Å; D282-A286 PolarHBondContact O-N 3.03Å; A286-R292 PolarHBondContact O-N 3.03Å; A286-I298 HydrophobicContact CB-CD1 3.82Å; A286-I298 HydrophobicContact CB-CG1 4.18Å
287	N	98.1	Very high	98	Very high	45 Å²	45	55.5 Å²	55.5	24%	0.241	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-0.5	177.3	-83.3	-81.4	0	0	0	114.9	L283 E284 E285 Y344	L283-N287 VanDerWaalsContact O-CB 3.31Å; L283-N287 WeakPolarHBondContact O-CB 3.15Å; L283-N287 PolarHBondContact O-N 2.92Å; L283-N287 PolarHBondContact O-ND2 2.83Å; E284-N287 PolarHBondContact O-N 2.72Å; E285-N287 PolarHBondContact O-N 3.12Å; N287-Y344 PolarHBondContact ND2-O 2.81Å; N287-Y344 PolarHBondContact OD1-O 2.52Å
288	K	98.3	Very high	98	Very high	79 Å²	79	51.5 Å²	51.5	34%	0.343	26%	0.261	S	S	.	.	S	Bend	trans	-55.9	139.1	169	-71	-177.1	-173.9	165.7	0	109.8	E284 E285 E290 N291 R292	E284-K288 PolarHBondContact O-N 2.9Å; E285-K288 WeakPolarHBondContact O-CB 3.27Å; E285-K288 WeakPolarHBondContact O-CG 3.24Å; E285-K288 PolarHBondContact O-N 2.8Å; E285-K288 WeakPolarHBondContact OE1-CD 3.38Å; E285-K288 WeakPolarHBondContact OE1-CE 3.37Å; E285-K288 IonicContact OE1-NZ 3.16Å; E285-K288 PolarHBondContact OE1-NZ 3.35Å; E285-K288 WeakPolarHBondContact OE2-CE 3.35Å; E285-K288 IonicContact OE2-NZ 2.9Å; E285-K288 PolarHBondContact OE2-NZ 2.9Å; K288-E290 HydrophobicContact CB-CG 4.38Å; K288-E290 PolarHBondContact O-N 2.98Å; K288-E290 VanDerWaalsContact O-N 3.11Å; K288-N291 HydrophobicContact CB-CB 4.42Å; K288-N291 PolarHBondContact O-N 3.24Å; K288-R292 PolarHBondContact O-N 3.41Å
289	P	96.6	Very high	98	Very high	105 Å²	105	48.7 Å²	48.7	68%	0.682	25%	0.25	S	C	*	.	H	α-helix	trans	-51.4	-40.4	-174.1	-29.5	35.8	0	0	0	114.2	A293	P289-A293 WeakPolarHBondContact O-CB 3.41Å; P289-A293 PolarHBondContact O-N 2.83Å
290	E	97.4	Very high	98.1	Very high	117 Å²	117	48.7 Å²	48.7	55%	0.547	25%	0.25	S	C	.	.	H	α-helix	trans	-65	-44.8	177.3	58	-86.5	-153.8	0	0	113	K288 E294	K288-E290 HydrophobicContact CB-CG 4.38Å; K288-E290 PolarHBondContact O-N 2.98Å; K288-E290 VanDerWaalsContact O-N 3.11Å; E290-E294 PolarHBondContact O-N 3.36Å
291	N	97.6	Very high	98.1	Very high	38 Å²	38	45.1 Å²	45.1	20%	0.203	23%	0.234	C	C	.	.	H	α-helix	trans	-72	-45.9	-178.7	-68	-19.6	0	0	0	110.7	E285 K288 A293 E294 R295	E285-N291 PolarHBondContact O-ND2 3.28Å; E285-N291 PolarHBondContact OE1-ND2 2.58Å; K288-N291 HydrophobicContact CB-CB 4.42Å; K288-N291 PolarHBondContact O-N 3.24Å; N291-A293 VanDerWaalsContact C-N 3.27Å; N291-A293 PolarHBondContact O-N 2.83Å; N291-E294 PolarHBondContact O-N 3.24Å; N291-E294 VanDerWaalsContact O-N 3.16Å; N291-R295 PolarHBondContact O-N 3.47Å
292	R	96.3	Very high	98.1	Very high	23 Å²	23	39.1 Å²	39.1	9%	0.087	21%	0.207	C	C	.	.	H	α-helix	trans	-66.7	-27.9	179.2	-158.8	69.7	167.8	141.3	5	112.4	A286 K288 R295 P296 G345 D347	A286-R292 PolarHBondContact O-N 3.03Å; K288-R292 PolarHBondContact O-N 3.41Å; R292-R295 CarbonylContact O-C 3.6Å; R292-P296 VanDerWaalsContact NH1-C 3.33Å; R292-P296 PolarHBondContact NH1-O 3.05Å; R292-P296 PolarHBondContact NH2-O 3.2Å; R292-P296 WeakPolarHBondContact O-CA 3.14Å; R292-P296 WeakPolarHBondContact O-CB 3.41Å; R292-G345 PolarHBondContact NH2-O 3.38Å; R292-D347 IonicContact CZ-OD2 3.64Å; R292-D347 IonicContact NH1-OD2 3.26Å; R292-D347 PolarHBondContact NH1-OD2 2.75Å; R292-D347 IonicContact NH2-OD1 2.59Å; R292-D347 IonicContact NH2-OD2 3.99Å; R292-D347 PolarHBondContact NH2-OD2 3.15Å
293	A	96	Very high	98.1	Very high	79 Å²	79	38.1 Å²	38.1	65%	0.653	20%	0.201	S	C	*	.	H	α-helix	trans	-71.7	-35	173.8	0	0	0	0	0	112.5	P289 N291	P289-A293 WeakPolarHBondContact O-CB 3.41Å; P289-A293 PolarHBondContact O-N 2.83Å; N291-A293 VanDerWaalsContact C-N 3.27Å; N291-A293 PolarHBondContact O-N 2.83Å
294	E	97.1	Very high	98	Very high	81 Å²	81	39.4 Å²	39.4	38%	0.379	21%	0.206	S	C	.	.	H	α-helix	trans	-79.5	-42.2	175.8	-170.3	-179.5	-175	0	0	112.1	E290 N291 P296	E290-E294 PolarHBondContact O-N 3.36Å; N291-E294 PolarHBondContact O-N 3.24Å; N291-E294 VanDerWaalsContact O-N 3.16Å; E294-P296 VanDerWaalsContact C-CD 3.47Å; E294-P296 WeakPolarHBondContact O-CD 3.41Å
295	R	97.5	Very high	98	Very high	49 Å²	49	35.7 Å²	35.7	19%	0.185	19%	0.189	C	C	.	.			trans	-126	74.3	-175.5	-57.9	-174.7	-168.4	91.4	24.8	110.2	D248 S251 N291 R292 W297	D248-R295 VanDerWaalsContact OD1-CD 3.31Å; D248-R295 WeakPolarHBondContact OD1-CD 3.45Å; D248-R295 IonicContact OD1-NE 3.89Å; D248-R295 IonicContact OD2-CZ 3.87Å; D248-R295 IonicContact OD2-NE 3.15Å; D248-R295 PolarHBondContact OD2-NE 2.78Å; D248-R295 IonicContact OD2-NH1 3.57Å; D248-R295 PolarHBondContact OD2-NH1 3.02Å; S251-R295 CarbonylContact O-C 3.35Å; S251-R295 WeakPolarHBondContact O-CA 3.25Å; N291-R295 PolarHBondContact O-N 3.47Å; R292-R295 CarbonylContact O-C 3.6Å; R295-W297 VanDerWaalsContact C-N 3.26Å; R295-W297 PolarHBondContact O-N 2.86Å
296	P	98	Very high	97.9	Very high	10 Å²	10	31.6 Å²	31.6	7%	0.065	17%	0.17	C	C	.	.			trans	-71.1	-18.4	-175.9	27.3	-35.8	0	0	0	113.8	S251 R292 E294 T425 H452	S251-P296 WeakPolarHBondContact O-CD 3.42Å; R292-P296 VanDerWaalsContact NH1-C 3.33Å; R292-P296 PolarHBondContact NH1-O 3.05Å; R292-P296 PolarHBondContact NH2-O 3.2Å; R292-P296 WeakPolarHBondContact O-CA 3.14Å; R292-P296 WeakPolarHBondContact O-CB 3.41Å; E294-P296 VanDerWaalsContact C-CD 3.47Å; E294-P296 WeakPolarHBondContact O-CD 3.41Å; P296-T425 HydrophobicContact CG-CG2 3.75Å; P296-T425 WeakPolarHBondContact CG-O 3.26Å; P296-H452 HydrophobicContact CB-CB 4.21Å; P296-H452 WeakPolarHBondContact O-CB 3.24Å; P296-H452 PolarHBondContact O-ND1 2.93Å
297	W	98.8	Very high	97.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.8	174.4	-65	105.9	0	0	0	110.5	S251 A252 H253 R295 D347 V422 N424 I428 V447 K449 H452	S251-W297 PolarHBondContact O-N 3.18Å; S251-W297 VanDerWaalsContact O-N 3.15Å; A252-W297 WeakPolarHBondContact CA-O 3.47Å; A252-W297 HydrophobicContact CB-CB 4.02Å; H253-W297 PolarHBondContact N-O 3.16Å; R295-W297 VanDerWaalsContact C-N 3.26Å; R295-W297 PolarHBondContact O-N 2.86Å; W297-D347 WeakPolarHBondContact CA-OD2 3.4Å; W297-D347 HydrophobicContact CE3-CB 3.55Å; W297-D347 HydrophobicContact CZ3-CB 3.81Å; W297-V422 HydrophobicContact CG-CG1 4.39Å; W297-N424 PolarHBondContact NE1-O 3.41Å; W297-I428 HydrophobicContact CB-CD1 4.43Å; W297-I428 HydrophobicContact CD2-CD1 3.42Å; W297-I428 VanDerWaalsContact CD2-CD1 3.42Å; W297-I428 HydrophobicContact CD2-CG1 3.81Å; W297-I428 HydrophobicContact CE3-CD1 3.37Å; W297-I428 HydrophobicContact CE3-CG1 4.08Å; W297-I428 HydrophobicContact CG-CD1 3.91Å; W297-I428 HydrophobicContact CG-CG1 4.34Å; W297-I428 HydrophobicContact CH2-CD1 4.16Å; W297-I428 HydrophobicContact CH2-CG1 4.08Å; W297-I428 HydrophobicContact CZ2-CB 4.45Å; W297-I428 HydrophobicContact CZ2-CD1 4.18Å; W297-I428 HydrophobicContact CZ2-CG1 3.78Å; W297-I428 HydrophobicContact CZ3-CD1 3.78Å; W297-I428 HydrophobicContact CZ3-CG1 4.22Å; W297-V447 HydrophobicContact CH2-CB 4.42Å; W297-V447 HydrophobicContact CH2-CG1 4.03Å; W297-V447 WeakPolarHBondContact CH2-O 3.45Å; W297-V447 HydrophobicContact CZ3-CG1 4Å; W297-K449 HydrophobicContact CH2-CB 3.99Å; W297-K449 HydrophobicContact CH2-CD 4.27Å; W297-K449 HydrophobicContact CH2-CG 3.99Å; W297-K449 HydrophobicContact CZ3-CB 4.37Å; W297-K449 HydrophobicContact CZ3-CD 3.86Å; W297-K449 HydrophobicContact CZ3-CG 4.1Å; W297-H452 AromaticContact CD2-CE1 3.53Å; W297-H452 AromaticContact CE2-CE1 3.65Å; W297-H452 AromaticContact CE3-CE1 3.56Å; W297-H452 AromaticContact CH2-CE1 3.86Å; W297-H452 AromaticContact CZ2-CE1 3.83Å; W297-H452 AromaticContact CZ3-CE1 3.73Å
298	I	98.9	Very high	97.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.1	161.6	-77.2	158.8	0	0	0	107.2	H253 I255 L283 A286 V346 D347	H253-I298 HydrophobicContact CB-CG1 4.19Å; H253-I298 WeakPolarHBondContact O-CA 3.4Å; I255-I298 HydrophobicContact CD1-CG2 4.07Å; L283-I298 HydrophobicContact CD2-CD1 4.36Å; L283-I298 HydrophobicContact CD2-CG2 4.04Å; A286-I298 HydrophobicContact CB-CD1 3.82Å; A286-I298 HydrophobicContact CB-CG1 4.18Å; I298-V346 HydrophobicContact CG2-CB 4.3Å; I298-V346 HydrophobicContact CG2-CG1 4.28Å; I298-V346 HydrophobicContact CG2-CG2 3.8Å; I298-D347 PolarHBondContact N-OD2 2.56Å; I298-D347 WeakPolarHBondContact O-CB 3.17Å; I298-D347 PolarHBondContact O-N 3.09Å
299	I	98.9	Very high	97.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.5	179.7	-56	174.2	0	0	0	107.8	A252 H253 I254 I255 V348 L350 M420 V422 I428	A252-I299 HydrophobicContact CB-CD1 4.11Å; H253-I299 PolarHBondContact O-N 2.75Å; I254-I299 CarbonylContact C-O 3.41Å; I254-I299 VanDerWaalsContact CA-O 3.32Å; I254-I299 WeakPolarHBondContact CA-O 3.29Å; I254-I299 HydrophobicContact CG1-CB 4.45Å; I255-I299 PolarHBondContact N-O 3Å; I299-V348 VanDerWaalsContact CA-O 3.31Å; I299-V348 WeakPolarHBondContact CA-O 3.46Å; I299-V348 HydrophobicContact CG1-CB 4.45Å; I299-V348 HydrophobicContact CG2-CB 4.39Å; I299-L350 HydrophobicContact CG2-CD1 3.86Å; I299-L350 HydrophobicContact CG2-CG 4.12Å; I299-M420 HydrophobicContact CD1-CE 3.96Å; I299-M420 HydrophobicContact CD1-SD 4.22Å; I299-V422 HydrophobicContact CD1-CG2 4.03Å; I299-I428 HydrophobicContact CD1-CD1 3.93Å; I299-I428 HydrophobicContact CG1-CD1 4.44Å
300	T	98.9	Very high	97.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	150.9	173.9	64.9	0	0	0	0	110.7	I255 F341 V346 V348 E349 L350	I255-T300 HydrophobicContact CB-CG2 4.28Å; I255-T300 CarbonylContact O-C 3.55Å; I255-T300 VanDerWaalsContact O-CA 3.26Å; I255-T300 WeakPolarHBondContact O-CA 3.5Å; T300-F341 HydrophobicContact CG2-CD1 4.25Å; T300-F341 HydrophobicContact CG2-CE1 3.89Å; T300-F341 HydrophobicContact CG2-CZ 4.07Å; T300-V346 HydrophobicContact CG2-CG1 3.77Å; T300-V346 HydrophobicContact CG2-CG2 4.13Å; T300-V348 PolarHBondContact N-O 2.88Å; T300-E349 WeakPolarHBondContact OG1-CA 3.46Å; T300-E349 WeakPolarHBondContact OG1-CB 3.28Å; T300-E349 WeakPolarHBondContact OG1-CG 3.33Å; T300-L350 WeakPolarHBondContact O-CB 3.5Å; T300-L350 PolarHBondContact O-N 3.44Å
301	M	98.8	Very high	97.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.1	166.6	63.4	178	-76.7	0	0	109.9	L181 I183 C217 W247 I255 S256 F257 L350	L181-M301 HydrophobicContact CB-CE 4.31Å; L181-M301 HydrophobicContact CB-SD 4.06Å; L181-M301 HydrophobicContact CD1-SD 4.09Å; L181-M301 HydrophobicContact CD2-SD 4.25Å; L181-M301 HydrophobicContact CG-SD 4.36Å; I183-M301 HydrophobicContact CB-CE 4.28Å; I183-M301 HydrophobicContact CG1-CB 4.45Å; I183-M301 HydrophobicContact CG1-CE 3.86Å; I183-M301 HydrophobicContact CG2-CB 4.44Å; I183-M301 HydrophobicContact CG2-CE 4.44Å; C217-M301 HydrophobicContact CB-CE 3.98Å; W247-M301 HydrophobicContact CH2-SD 3.95Å; I255-M301 PolarHBondContact O-N 3Å; S256-M301 WeakPolarHBondContact CA-O 3.49Å; F257-M301 VanDerWaalsContact CD1-O 3.28Å; F257-M301 WeakPolarHBondContact CD1-O 3.44Å; F257-M301 WeakPolarHBondContact CE1-O 3.09Å; F257-M301 PolarHBondContact N-O 3Å; F257-M301 VanDerWaalsContact N-O 3.11Å; M301-L350 WeakPolarHBondContact CA-O 3.23Å; M301-L350 HydrophobicContact CB-CB 4.23Å
302	G	98.6	Very high	97.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.			trans	-149.2	155.8	173.9	0	0	0	0	0	108.7	I183 L350 W351	I183-G302 WeakPolarHBondContact CG2-O 3.15Å; G302-L350 PolarHBondContact N-O 3.35Å; G302-L350 VanDerWaalsContact N-O 3.09Å; G302-W351 WeakPolarHBondContact O-CA 3.16Å; G302-W351 VanDerWaalsContact O-CE3 3.29Å
303	H	98.8	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-74.4	-64.8	-170.4	-179.4	65	0	0	0	112.4	D156 I183 G184 D185 P218 G219 N220 T259 E260 A352 H353	D156-H303 IonicContact OD1-CE1 3.56Å; D156-H303 PolarHBondContact OD1-CE1 3.23Å; D156-H303 IonicContact OD2-CE1 2.7Å; I183-H303 PolarHBondContact O-ND1 3.05Å; G184-H303 WeakPolarHBondContact CA-ND1 3.31Å; D185-H303 IonicContact OD1-CD2 3.56Å; D185-H303 IonicContact OD1-CE1 3.72Å; D185-H303 IonicContact OD1-NE2 3.21Å; D185-H303 PolarHBondContact OD1-NE2 3.2Å; D185-H303 IonicContact OD2-CE1 3.02Å; D185-H303 PolarHBondContact OD2-CE1 3.19Å; D185-H303 VanDerWaalsContact OD2-CE1 3.24Å; D185-H303 IonicContact OD2-NE2 2.63Å; D185-H303 PolarHBondContact OD2-NE2 3.29Å; P218-H303 WeakPolarHBondContact O-CB 3.44Å; G219-H303 WeakPolarHBondContact CA-CD2 3.24Å; G219-H303 VanDerWaalsContact CA-CG 3.41Å; N220-H303 PolarHBondContact OD1-CD2 3.3Å; N220-H303 PolarHBondContact OD1-NE2 2.97Å; T259-H303 PolarHBondContact OG1-N 2.91Å; E260-H303 IonicContact OE1-CD2 2.76Å; H303-A352 CarbonylContact O-C 3.52Å; H303-A352 VanDerWaalsContact O-C 3.29Å; H303-A352 PolarHBondContact O-N 3.07Å; H303-H353 AromaticContact CD2-ND1 3.75Å; H303-H353 VanDerWaalsContact CE1-CA 3.41Å; H303-H353 WeakPolarHBondContact CE1-CA 3.08Å; H303-H353 PolarHBondContact CE1-N 3.25Å; H303-H353 AromaticContact CE1-ND1 3.96Å; H303-H353 WeakPolarHBondContact NE2-CB 3.23Å; H303-H353 AromaticContact NE2-CG 3.57Å; H303-H353 AromaticContact NE2-ND1 3.05Å; H303-H353 PolarHBondContact NE2-ND1 2.65Å
304	R	98.5	Very high	96.3	Very high	27 Å²	27	26.5 Å²	26.5	10%	0.102	13%	0.129	C	C	.	.	S	Bend	trans	-74.1	123	-178.7	-64.4	175	166.7	-77.6	-15.2	112.2	N220 T259 E260 D314 V323 W351 H353	N220-R304 PolarHBondContact OD1-NH2 2.71Å; T259-R304 HydrophobicContact CG2-CB 4.14Å; T259-R304 WeakPolarHBondContact CG2-O 3.38Å; T259-R304 PolarHBondContact OG1-N 3.05Å; E260-R304 WeakPolarHBondContact OE1-CD 3.44Å; E260-R304 IonicContact OE1-NE 2.98Å; E260-R304 IonicContact OE2-NE 2.93Å; E260-R304 PolarHBondContact OE2-NE 3.22Å; R304-D314 IonicContact NH1-OD2 3.77Å; R304-D314 PolarHBondContact NH1-OD2 3.48Å; R304-D314 VanDerWaalsContact NH1-OD2 3.1Å; R304-V323 HydrophobicContact CB-CG2 4.37Å; R304-W351 WeakPolarHBondContact O-CZ3 3.39Å; R304-H353 HydrophobicContact CG-CB 4.34Å; R304-H353 VanDerWaalsContact CZ-NE2 3.3Å; R304-H353 PolarHBondContact NH1-NE2 3.23Å; R304-H353 PolarHBondContact NH2-CE1 3.27Å; R304-H353 PolarHBondContact NH2-NE2 3.06Å
305	P	98	Very high	95.7	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.013	12%	0.115	C	C	.	.			trans	-70	157.5	-178.3	24.4	-28.4	0	0	0	112.6	C308 C316 W351 A352 E354 I387	P305-C308 HydrophobicContact CG-CB 4.23Å; P305-C316 HydrophobicContact CB-CB 4.37Å; P305-C316 HydrophobicContact CG-CB 3.89Å; P305-C316 VanDerWaalsContact O-CB 3.23Å; P305-C316 WeakPolarHBondContact O-CB 3.45Å; P305-W351 HydrophobicContact CB-CB 3.76Å; P305-W351 HydrophobicContact CB-CD2 4.19Å; P305-W351 HydrophobicContact CB-CG 3.84Å; P305-A352 WeakPolarHBondContact CD-O 3.36Å; P305-E354 HydrophobicContact CG-CG 3.79Å; P305-I387 HydrophobicContact CB-CD1 4Å; P305-I387 HydrophobicContact CB-CG1 4.19Å; P305-I387 HydrophobicContact CG-CD1 4.05Å
306	M	96.8	Very high	95.4	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.109	C	C	.	.	S	Bend	trans	-79.5	-21.8	170.1	-68.8	-165	-159.6	0	0	113.6	V323 R324 L337 E338 F341 W351	M306-V323 HydrophobicContact CE-CG1 4.33Å; M306-V323 HydrophobicContact CG-CB 4.49Å; M306-V323 HydrophobicContact CG-CG1 3.93Å; M306-R324 HydrophobicContact CB-CB 4.03Å; M306-R324 HydrophobicContact CB-CG 4.07Å; M306-R324 HydrophobicContact CG-CB 4.07Å; M306-R324 HydrophobicContact CG-CG 4.28Å; M306-R324 HydrophobicContact SD-CB 4.15Å; M306-R324 HydrophobicContact SD-CG 3.88Å; M306-L337 HydrophobicContact CE-CB 3.55Å; M306-E338 HydrophobicContact SD-CB 3.82Å; M306-E338 HydrophobicContact SD-CG 4.44Å; M306-F341 HydrophobicContact CE-CD2 3.44Å; M306-F341 VanDerWaalsContact CE-CD2 3.44Å; M306-F341 HydrophobicContact CE-CE2 3.57Å; M306-W351 HydrophobicContact CB-CZ2 4.46Å; M306-W351 HydrophobicContact CE-CH2 3.77Å; M306-W351 HydrophobicContact CE-CZ2 4.02Å; M306-W351 HydrophobicContact CG-CH2 3.79Å; M306-W351 HydrophobicContact CG-CZ2 3.84Å; M306-W351 HydrophobicContact SD-CZ2 4.48Å
307	Y	97.5	Very high	94.8	Very high	5 Å²	5	23.4 Å²	23.4	2%	0.02	12%	0.121	C	C	.	.			trans	-146	127.8	-173.4	-67.1	-76.3	0	0	0	108.5	R324 E338 L360 V363 G365 D366 I387 W407	Y307-R324 WeakPolarHBondContact OH-CD 3.48Å; Y307-E338 WeakPolarHBondContact CE2-OE1 3.4Å; Y307-E338 PolarHBondContact OH-OE1 3.4Å; Y307-L360 VanDerWaalsContact CB-CD2 3.47Å; Y307-L360 HydrophobicContact CD2-CD2 4.47Å; Y307-L360 HydrophobicContact CG-CD2 4.18Å; Y307-V363 HydrophobicContact CD2-CG1 3.72Å; Y307-V363 HydrophobicContact CE1-CG2 4.17Å; Y307-V363 HydrophobicContact CE2-CG1 3.69Å; Y307-V363 HydrophobicContact CE2-CG2 4.07Å; Y307-V363 HydrophobicContact CG-CG1 4.4Å; Y307-G365 PolarHBondContact OH-N 3.35Å; Y307-G365 VanDerWaalsContact OH-N 3.16Å; Y307-D366 PolarHBondContact OH-N 2.94Å; Y307-I387 WeakPolarHBondContact O-CD1 3.39Å; Y307-W407 HydrophobicContact CD1-CD2 4.47Å; Y307-W407 AromaticContact CD1-CE2 3.82Å; Y307-W407 AromaticContact CD1-CZ2 3.92Å; Y307-W407 HydrophobicContact CD1-CZ2 3.92Å; Y307-W407 AromaticContact CD1-NE1 3.87Å; Y307-W407 HydrophobicContact CG-CZ2 4.41Å
308	C	96.6	Very high	94.2	Very high	5 Å²	5	28 Å²	28	3%	0.034	14%	0.141	C	C	.	.			trans	-148.4	153.1	171.5	65.6	0	0	0	0	110.4	P305 C316 T317 E354 I387 W407	P305-C308 HydrophobicContact CG-CB 4.23Å; C308-C316 HydrophobicContact CB-CB 3.78Å; C308-C316 WeakPolarHBondContact CB-SG 3.22Å; C308-C316 PolarHBondContact N-O 3.23Å; C308-C316 WeakPolarHBondContact SG-CB 3.22Å; C308-C316 CovalentContact SG-SG 2.02Å; C308-C316 PolarHBondContact SG-SG 2.94Å; C308-T317 VanDerWaalsContact SG-CG2 3.5Å; C308-T317 PolarHBondContact SG-N 3.48Å; C308-T317 VanDerWaalsContact SG-N 3.35Å; C308-E354 HydrophobicContact CB-CG 3.71Å; C308-I387 HydrophobicContact CB-CD1 3.88Å; C308-W407 VanDerWaalsContact C-CH2 3.45Å; C308-W407 WeakPolarHBondContact O-CH2 3.47Å
309	S	96.7	Very high	93.4	Very high	7 Å²	7	34.6 Å²	34.6	5%	0.049	17%	0.17	C	C	.	.			trans	-112.5	16.1	-178.7	74.1	0	0	0	0	113.4	E358 F400 N401 R411	S309-E358 WeakPolarHBondContact CB-OE1 3.45Å; S309-E358 WeakPolarHBondContact CB-OE2 3.41Å; S309-E358 PolarHBondContact N-OE2 3.44Å; S309-E358 PolarHBondContact OG-OE1 2.84Å; S309-E358 PolarHBondContact OG-OE2 2.98Å; S309-F400 WeakPolarHBondContact OG-CD1 3.47Å; S309-N401 VanDerWaalsContact O-CB 3.24Å; S309-N401 WeakPolarHBondContact O-CB 3.22Å; S309-N401 PolarHBondContact O-N 3.1Å; S309-R411 WeakPolarHBondContact OG-CD 3.29Å; S309-R411 PolarHBondContact OG-NH1 3.37Å
310	D	96.1	Very high	92.7	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.027	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-67	155.8	174.2	-58.4	-93.1	0	0	0	111.2	E354 T356 R399 F400	D310-E354 WeakPolarHBondContact CB-OE2 3.31Å; D310-E354 VanDerWaalsContact CG-OE2 3.29Å; D310-T356 WeakPolarHBondContact OD1-CG2 3.45Å; D310-T356 PolarHBondContact OD1-OG1 3.26Å; D310-R399 CarbonylContact C-O 3.12Å; D310-R399 WeakPolarHBondContact CA-O 3.47Å; D310-F400 WeakPolarHBondContact OD1-CE1 3.32Å
311	D	93	Very high	92.3	Very high	105 Å²	105	39.4 Å²	39.4	56%	0.561	20%	0.196	S	C	*	.	S	Bend	trans	-109.7	54.9	-172.8	-170.5	31.3	0	0	0	111.3	R399 N401	D311-R399 WeakPolarHBondContact CB-O 3.25Å; D311-R399 PolarHBondContact N-O 3.06Å; D311-N401 HydrophobicContact CB-CB 4.4Å
312	D	88.9	Confident	92.2	Very high	55 Å²	55	43.3 Å²	43.3	29%	0.294	21%	0.21	S	C	.	.	S	Bend	trans	-127.3	-8.6	-174.6	65	-3.4	0	0	0	114	D314	D312-D314 VanDerWaalsContact C-N 3.33Å; D312-D314 WeakPolarHBondContact OD1-CB 3.49Å; D312-D314 PolarHBondContact OD1-N 3.26Å
313	Q	87.4	Confident	92.1	Very high	158 Å²	158	43.3 Å²	43.3	74%	0.738	21%	0.21	S	C	*	.			trans	71	22.1	-178.9	-52	170.3	58.7	0	0	114.7	K318	Q313-K318 WeakPolarHBondContact O-CE 3.2Å; Q313-K318 PolarHBondContact O-NZ 3.04Å
314	D	87.9	Confident	92	Very high	45 Å²	45	43.7 Å²	43.7	24%	0.241	21%	0.212	C	C	.	.			trans	-66.6	169.2	178.1	-126	55	0	0	0	112.7	R304 D312 C316 T317 H353	R304-D314 IonicContact NH1-OD2 3.77Å; R304-D314 PolarHBondContact NH1-OD2 3.48Å; R304-D314 VanDerWaalsContact NH1-OD2 3.1Å; D312-D314 VanDerWaalsContact C-N 3.33Å; D312-D314 WeakPolarHBondContact OD1-CB 3.49Å; D312-D314 PolarHBondContact OD1-N 3.26Å; D314-C316 VanDerWaalsContact C-N 3.26Å; D314-C316 PolarHBondContact O-N 3.42Å; D314-T317 WeakPolarHBondContact O-CB 3.25Å; D314-T317 PolarHBondContact O-N 2.84Å; D314-T317 VanDerWaalsContact O-N 3.07Å; D314-T317 PolarHBondContact O-OG1 3.26Å; D314-H353 IonicContact OD2-CD2 3.76Å; D314-H353 PolarHBondContact OD2-CD2 2.81Å; D314-H353 IonicContact OD2-NE2 3.81Å; D314-H353 PolarHBondContact OD2-NE2 3.19Å
315	D	86.1	Confident	91.9	Very high	16 Å²	16	45.1 Å²	45.1	9%	0.086	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-59.4	-37.9	-169.5	-175.7	66	0	0	0	112.7	F263 T317 K318 S321 W322	F263-D315 HydrophobicContact CE1-CB 3.93Å; F263-D315 HydrophobicContact CZ-CB 3.97Å; D315-T317 PolarHBondContact O-N 3.23Å; D315-K318 WeakPolarHBondContact O-CB 3.43Å; D315-K318 PolarHBondContact O-N 3.37Å; D315-K318 VanDerWaalsContact O-N 3.07Å; D315-S321 WeakPolarHBondContact O-CB 3.26Å; D315-S321 WeakPolarHBondContact OD1-CA 3.28Å; D315-S321 WeakPolarHBondContact OD2-CA 3.5Å; D315-S321 WeakPolarHBondContact OD2-CB 3.42Å; D315-S321 PolarHBondContact OD2-OG 3.02Å; D315-W322 PolarHBondContact OD1-N 3.06Å; D315-W322 PolarHBondContact OD2-N 3.49Å
316	C	89.6	Confident	91.8	Very high	6 Å²	6	45.2 Å²	45.2	4%	0.041	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-68.3	-16.1	179.5	57.7	0	0	0	0	114.5	P305 C308 D314 K318 E354	P305-C316 HydrophobicContact CB-CB 4.37Å; P305-C316 HydrophobicContact CG-CB 3.89Å; P305-C316 VanDerWaalsContact O-CB 3.23Å; P305-C316 WeakPolarHBondContact O-CB 3.45Å; C308-C316 HydrophobicContact CB-CB 3.78Å; C308-C316 WeakPolarHBondContact CB-SG 3.22Å; C308-C316 PolarHBondContact N-O 3.23Å; C308-C316 WeakPolarHBondContact SG-CB 3.22Å; C308-C316 CovalentContact SG-SG 2.02Å; C308-C316 PolarHBondContact SG-SG 2.94Å; D314-C316 VanDerWaalsContact C-N 3.26Å; D314-C316 PolarHBondContact O-N 3.42Å; C316-K318 PolarHBondContact O-N 2.86Å; C316-E354 PolarHBondContact SG-OE1 2.98Å
317	T	85.7	Confident	91.7	Very high	54 Å²	54	45.8 Å²	45.8	33%	0.331	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-75.4	-12.4	173.3	71.5	0	0	0	0	111.7	C308 D314 D315	C308-T317 VanDerWaalsContact SG-CG2 3.5Å; C308-T317 PolarHBondContact SG-N 3.48Å; C308-T317 VanDerWaalsContact SG-N 3.35Å; D314-T317 WeakPolarHBondContact O-CB 3.25Å; D314-T317 PolarHBondContact O-N 2.84Å; D314-T317 VanDerWaalsContact O-N 3.07Å; D314-T317 PolarHBondContact O-OG1 3.26Å; D315-T317 PolarHBondContact O-N 3.23Å
318	K	87.1	Confident	91.5	Very high	96 Å²	96	52.1 Å²	52.1	42%	0.417	26%	0.261	S	S	.	.	S	Bend	trans	-101	150.2	-172.4	-59.5	172.5	-172.9	135.6	0	112.5	Q313 D315 C316 D320	Q313-K318 WeakPolarHBondContact O-CE 3.2Å; Q313-K318 PolarHBondContact O-NZ 3.04Å; D315-K318 WeakPolarHBondContact O-CB 3.43Å; D315-K318 PolarHBondContact O-N 3.37Å; D315-K318 VanDerWaalsContact O-N 3.07Å; C316-K318 PolarHBondContact O-N 2.86Å; K318-D320 PolarHBondContact O-N 2.73Å
319	F	80.7	Confident	91.4	Very high	139 Å²	139	56.9 Å²	56.9	61%	0.61	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.1	174.4	-174.9	-93.3	0	0	0	112.8	R324 D366	F319-R324 VanDerWaalsContact CA-NH2 3.32Å; F319-R324 PolarHBondContact O-NH2 2.99Å; F319-D366 HydrophobicContact CD2-CB 4.4Å; F319-D366 HydrophobicContact CE2-CB 4.07Å
320	D	84.4	Confident	91.2	Very high	102 Å²	102	57.4 Å²	57.4	55%	0.545	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	32.3	-177.6	58.1	-28.7	0	0	0	112.9	K318 W322 V325	K318-D320 PolarHBondContact O-N 2.73Å; D320-W322 PolarHBondContact O-N 3.29Å; D320-V325 HydrophobicContact CB-CG2 4.23Å
321	S	92.2	Very high	91	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.328	C	S	.	.			trans	-45	128.5	173.1	165.7	0	0	0	0	111.9	D315 V323 R324 V325	D315-S321 WeakPolarHBondContact O-CB 3.26Å; D315-S321 WeakPolarHBondContact OD1-CA 3.28Å; D315-S321 WeakPolarHBondContact OD2-CA 3.5Å; D315-S321 WeakPolarHBondContact OD2-CB 3.42Å; D315-S321 PolarHBondContact OD2-OG 3.02Å; S321-V323 VanDerWaalsContact C-N 3.34Å; S321-V323 PolarHBondContact O-N 3.39Å; S321-R324 PolarHBondContact O-N 3.02Å; S321-R324 VanDerWaalsContact O-N 3.08Å; S321-V325 WeakPolarHBondContact O-CG2 3.31Å; S321-V325 PolarHBondContact O-N 3.39Å
322	W	95.4	Very high	91	Very high	81 Å²	81	66.1 Å²	66.1	31%	0.307	33%	0.33	S	S	.	.	H	α-helix	trans	-65.1	-36.2	-176.5	-67.8	-20.9	0	0	0	113	Y262 F263 D315 D320 R324 G326 R327	Y262-W322 HydrophobicContact CD1-CB 4.5Å; Y262-W322 WeakPolarHBondContact CD1-O 3.47Å; F263-W322 AromaticContact CD1-CE3 3.43Å; F263-W322 HydrophobicContact CD1-CE3 3.43Å; F263-W322 VanDerWaalsContact CD1-CE3 3.43Å; F263-W322 AromaticContact CD1-CZ3 3.51Å; F263-W322 HydrophobicContact CD1-CZ3 3.51Å; F263-W322 HydrophobicContact CE1-CD2 4.36Å; F263-W322 AromaticContact CE1-CE3 3.37Å; F263-W322 HydrophobicContact CE1-CE3 3.37Å; F263-W322 AromaticContact CE1-CZ3 3.81Å; F263-W322 HydrophobicContact CE1-CZ3 3.81Å; F263-W322 HydrophobicContact CG-CE3 4.11Å; F263-W322 HydrophobicContact CG-CZ3 4.34Å; F263-W322 HydrophobicContact CZ-CB 4.38Å; F263-W322 HydrophobicContact CZ-CE3 4.02Å; D315-W322 PolarHBondContact OD1-N 3.06Å; D315-W322 PolarHBondContact OD2-N 3.49Å; D320-W322 PolarHBondContact O-N 3.29Å; W322-R324 VanDerWaalsContact C-N 3.28Å; W322-R324 PolarHBondContact O-N 2.89Å; W322-G326 WeakPolarHBondContact O-CA 3.43Å; W322-G326 PolarHBondContact O-N 2.77Å; W322-R327 HydrophobicContact CB-CG 4.06Å; W322-R327 HydrophobicContact CD2-CG 4.39Å; W322-R327 HydrophobicContact CG-CG 3.88Å; W322-R327 VanDerWaalsContact CH2-NH1 3.28Å
323	V	96.6	Very high	91.4	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-41.6	174.1	-178.7	0	0	0	0	109.8	T259 F263 R304 M306 S321 L337 W351	T259-V323 HydrophobicContact CG2-CG1 4.11Å; T259-V323 HydrophobicContact CG2-CG2 4.09Å; F263-V323 HydrophobicContact CE2-CG2 3.68Å; F263-V323 HydrophobicContact CZ-CG2 4.15Å; R304-V323 HydrophobicContact CB-CG2 4.37Å; M306-V323 HydrophobicContact CE-CG1 4.33Å; M306-V323 HydrophobicContact CG-CB 4.49Å; M306-V323 HydrophobicContact CG-CG1 3.93Å; S321-V323 VanDerWaalsContact C-N 3.34Å; S321-V323 PolarHBondContact O-N 3.39Å; V323-L337 HydrophobicContact CG1-CD1 4.12Å; V323-L337 PolarHBondContact O-N 2.78Å; V323-W351 HydrophobicContact CG1-CH2 4.41Å; V323-W351 HydrophobicContact CG1-CZ3 4.47Å
324	R	96.2	Very high	91.8	Very high	8 Å²	8	58.6 Å²	58.6	3%	0.03	30%	0.303	C	S	.	.	H	α-helix	trans	-76.3	-58.4	-173.7	-164.7	167.7	53.7	82	-6.1	112.9	M306 Y307 F319 S321 W322 G336 L337 E338	M306-R324 HydrophobicContact CB-CB 4.03Å; M306-R324 HydrophobicContact CB-CG 4.07Å; M306-R324 HydrophobicContact CG-CB 4.07Å; M306-R324 HydrophobicContact CG-CG 4.28Å; M306-R324 HydrophobicContact SD-CB 4.15Å; M306-R324 HydrophobicContact SD-CG 3.88Å; Y307-R324 WeakPolarHBondContact OH-CD 3.48Å; F319-R324 VanDerWaalsContact CA-NH2 3.32Å; F319-R324 PolarHBondContact O-NH2 2.99Å; S321-R324 PolarHBondContact O-N 3.02Å; S321-R324 VanDerWaalsContact O-N 3.08Å; W322-R324 VanDerWaalsContact C-N 3.28Å; W322-R324 PolarHBondContact O-N 2.89Å; R324-G336 WeakPolarHBondContact O-CA 3.33Å; R324-L337 PolarHBondContact O-N 2.8Å; R324-E338 VanDerWaalsContact CD-OE2 3.25Å; R324-E338 WeakPolarHBondContact CD-OE2 3.47Å; R324-E338 HydrophobicContact CG-CB 3.69Å; R324-E338 HydrophobicContact CG-CG 4.17Å; R324-E338 WeakPolarHBondContact CG-OE2 3.49Å; R324-E338 IonicContact NH1-OE2 2.99Å; R324-E338 PolarHBondContact NH1-OE2 2.94Å; R324-E338 VanDerWaalsContact NH1-OE2 3.16Å; R324-E338 WeakPolarHBondContact O-CB 3.37Å; R324-E338 PolarHBondContact O-N 2.91Å
325	V	96.3	Very high	92.3	Very high	58 Å²	58	58.1 Å²	58.1	35%	0.352	30%	0.303	S	S	.	.	H	α-helix	trans	-101.7	-8.3	-172.3	-54	0	0	0	0	114	D320 S321	D320-V325 HydrophobicContact CB-CG2 4.23Å; S321-V325 WeakPolarHBondContact O-CG2 3.31Å; S321-V325 PolarHBondContact O-N 3.39Å
326	G	96.1	Very high	92.8	Very high	3 Å²	3	58 Å²	58	3%	0.031	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	86.6	-168.7	-177.7	0	0	0	0	0	113.2	W322 A334 G336	W322-G326 WeakPolarHBondContact O-CA 3.43Å; W322-G326 PolarHBondContact O-N 2.77Å; G326-A334 CarbonylContact C-O 3.51Å; G326-A334 WeakPolarHBondContact CA-O 3.43Å; G326-G336 VanDerWaalsContact CA-N 3.34Å
327	R	94.9	Very high	93.2	Very high	14 Å²	14	57.7 Å²	57.7	5%	0.053	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	111.6	-174.8	-65.9	-166.7	72.3	113.2	7.8	111.9	Y262 W322 D329 I330 A333 A334	Y262-R327 HydrophobicContact CD1-CG 4.42Å; Y262-R327 WeakPolarHBondContact O-CD 3.29Å; Y262-R327 PolarHBondContact O-NH1 3.42Å; W322-R327 HydrophobicContact CB-CG 4.06Å; W322-R327 HydrophobicContact CD2-CG 4.39Å; W322-R327 HydrophobicContact CG-CG 3.88Å; W322-R327 VanDerWaalsContact CH2-NH1 3.28Å; R327-D329 WeakPolarHBondContact CB-OD1 3.31Å; R327-D329 IonicContact CZ-OD1 3.62Å; R327-D329 IonicContact CZ-OD2 3.59Å; R327-D329 IonicContact NE-OD1 3.38Å; R327-D329 PolarHBondContact NE-OD1 2.97Å; R327-D329 IonicContact NE-OD2 3.55Å; R327-D329 IonicContact NH2-OD1 3.73Å; R327-D329 PolarHBondContact NH2-OD1 2.93Å; R327-D329 IonicContact NH2-OD2 2.72Å; R327-D329 PolarHBondContact NH2-OD2 3.42Å; R327-I330 HydrophobicContact CB-CD1 4.18Å; R327-I330 HydrophobicContact CB-CG1 3.94Å; R327-A333 CarbonylContact O-C 3.54Å; R327-A333 VanDerWaalsContact O-CA 3.25Å; R327-A333 WeakPolarHBondContact O-CA 3.35Å; R327-A333 WeakPolarHBondContact O-CB 3.33Å; R327-A334 HydrophobicContact CB-CB 4.18Å; R327-A334 PolarHBondContact N-O 3.05Å; R327-A334 PolarHBondContact O-N 3.35Å
328	N	94.1	Very high	93.8	Very high	138 Å²	138	56 Å²	56	74%	0.738	29%	0.291	S	S	*	.	S	Bend	trans	-92	-6.3	175.2	-69.6	-46.3	0	0	0	113.5
329	D	93.7	Very high	94.3	Very high	104 Å²	104	55.5 Å²	55.5	56%	0.556	29%	0.293	S	S	*	.	S	Bend	trans	-86.5	-7.1	-178.5	68.6	-44	0	0	0	113.4	R327	R327-D329 WeakPolarHBondContact CB-OD1 3.31Å; R327-D329 IonicContact CZ-OD1 3.62Å; R327-D329 IonicContact CZ-OD2 3.59Å; R327-D329 IonicContact NE-OD1 3.38Å; R327-D329 PolarHBondContact NE-OD1 2.97Å; R327-D329 IonicContact NE-OD2 3.55Å; R327-D329 IonicContact NH2-OD1 3.73Å; R327-D329 PolarHBondContact NH2-OD1 2.93Å; R327-D329 IonicContact NH2-OD2 2.72Å; R327-D329 PolarHBondContact NH2-OD2 3.42Å
330	I	93	Very high	95.1	Very high	19 Å²	19	49.2 Å²	49.2	10%	0.097	27%	0.266	C	S	.	.	S	Bend	trans	-113.2	165.3	176.8	65.3	168.7	0	0	0	112.5	L265 M269 I272 R327 P332 A333 A334	L265-I330 HydrophobicContact CD1-CG2 3.69Å; M269-I330 HydrophobicContact SD-CB 4.25Å; M269-I330 HydrophobicContact SD-CD1 4.28Å; M269-I330 HydrophobicContact SD-CG2 4.16Å; I272-I330 HydrophobicContact CD1-CD1 4.23Å; R327-I330 HydrophobicContact CB-CD1 4.18Å; R327-I330 HydrophobicContact CB-CG1 3.94Å; I330-P332 CarbonylContact C-O 3.5Å; I330-P332 CarbonylContact O-C 3.4Å; I330-A333 WeakPolarHBondContact O-CA 3.32Å; I330-A333 PolarHBondContact O-N 3.15Å; I330-A334 HydrophobicContact CD1-CB 3.84Å; I330-A334 HydrophobicContact CG1-CB 4.49Å
331	K	92.1	Very high	95.8	Very high	198 Å²	198	44.3 Å²	44.3	86%	0.861	24%	0.24	S	C	*	.	S	Bend	trans	-128.5	122.7	-179.6	-69	-172.9	-179.4	-178.4	0	111.9
332	P	93.7	Very high	96.1	Very high	94 Å²	94	45.5 Å²	45.5	61%	0.61	24%	0.244	S	C	*	.	S	Bend	cis	-62.7	157.5	-8.8	28.3	-33	0	0	0	111.4	F273 I330 A334	F273-P332 HydrophobicContact CE1-CG 4.16Å; F273-P332 HydrophobicContact CE2-CG 4.24Å; F273-P332 HydrophobicContact CZ-CB 4.44Å; F273-P332 HydrophobicContact CZ-CG 3.7Å; I330-P332 CarbonylContact C-O 3.5Å; I330-P332 CarbonylContact O-C 3.4Å; P332-A334 PolarHBondContact O-N 2.7Å
333	A	95.9	Very high	96.1	Very high	51 Å²	51	46.1 Å²	46.1	42%	0.421	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-59.5	135.2	174.7	0	0	0	0	0	109.4	R327 I330	R327-A333 CarbonylContact O-C 3.54Å; R327-A333 VanDerWaalsContact O-CA 3.25Å; R327-A333 WeakPolarHBondContact O-CA 3.35Å; R327-A333 WeakPolarHBondContact O-CB 3.33Å; I330-A333 WeakPolarHBondContact O-CA 3.32Å; I330-A333 PolarHBondContact O-N 3.15Å
334	A	96.6	Very high	96.2	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.033	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	140.2	177.1	0	0	0	0	0	111	I272 F273 G326 R327 I330 P332	I272-A334 HydrophobicContact CB-CB 4.45Å; I272-A334 HydrophobicContact CD1-CB 4.16Å; I272-A334 HydrophobicContact CG2-CB 3.69Å; F273-A334 HydrophobicContact CE1-CB 4.4Å; F273-A334 HydrophobicContact CZ-CB 4.01Å; G326-A334 CarbonylContact C-O 3.51Å; G326-A334 WeakPolarHBondContact CA-O 3.43Å; R327-A334 HydrophobicContact CB-CB 4.18Å; R327-A334 PolarHBondContact N-O 3.05Å; R327-A334 PolarHBondContact O-N 3.35Å; I330-A334 HydrophobicContact CD1-CB 3.84Å; I330-A334 HydrophobicContact CG1-CB 4.49Å; P332-A334 PolarHBondContact O-N 2.7Å
335	P	97.1	Very high	96.2	Very high	36 Å²	36	47.9 Å²	47.9	23%	0.234	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	146.1	179.5	32.1	-36.6	0	0	0	112.2	Y262 Y276	Y262-P335 VanDerWaalsContact CE1-O 3.24Å; Y262-P335 WeakPolarHBondContact CE1-O 3.4Å; Y262-P335 PolarHBondContact OH-O 2.73Å; Y276-P335 HydrophobicContact CD1-CB 4.5Å; Y276-P335 HydrophobicContact CD1-CG 3.72Å; Y276-P335 HydrophobicContact CD2-CB 3.83Å; Y276-P335 HydrophobicContact CD2-CG 3.33Å; Y276-P335 HydrophobicContact CE1-CB 4.25Å; Y276-P335 HydrophobicContact CE1-CG 3.94Å; Y276-P335 HydrophobicContact CE2-CB 3.53Å; Y276-P335 HydrophobicContact CE2-CG 3.57Å; Y276-P335 HydrophobicContact CG-CB 4.3Å; Y276-P335 HydrophobicContact CG-CG 3.4Å
336	G	97	Very high	96.4	Very high	13 Å²	13	45.1 Å²	45.1	13%	0.134	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-79.7	167.9	167.6	0	0	0	0	0	112.5	Y276 R324 G326	Y276-G336 WeakPolarHBondContact CE2-O 3.41Å; R324-G336 WeakPolarHBondContact O-CA 3.33Å; G326-G336 VanDerWaalsContact CA-N 3.34Å
337	L	98.4	Very high	96.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-98.9	-18.6	-174.9	-62.4	-178.1	0	0	0	114.2	F257 Y262 Y276 L279 M306 V323 R324 L340 F341	F257-L337 HydrophobicContact CD2-CD1 3.75Å; F257-L337 HydrophobicContact CE2-CD1 3.37Å; F257-L337 HydrophobicContact CZ-CD1 4.1Å; Y262-L337 HydrophobicContact CE2-CD1 4.09Å; Y262-L337 HydrophobicContact CE2-CG 4.23Å; Y262-L337 WeakPolarHBondContact OH-CD2 3.3Å; Y262-L337 WeakPolarHBondContact OH-CG 3.24Å; Y276-L337 HydrophobicContact CD2-CD2 3.94Å; Y276-L337 HydrophobicContact CE2-CD2 4.43Å; L279-L337 HydrophobicContact CD2-CD2 3.75Å; M306-L337 HydrophobicContact CE-CB 3.55Å; V323-L337 HydrophobicContact CG1-CD1 4.12Å; V323-L337 PolarHBondContact O-N 2.78Å; R324-L337 PolarHBondContact O-N 2.8Å; L337-L340 HydrophobicContact CD2-CD2 4.38Å; L337-L340 WeakPolarHBondContact O-CB 3.38Å; L337-L340 PolarHBondContact O-N 2.79Å; L337-F341 HydrophobicContact CB-CD2 4.2Å; L337-F341 HydrophobicContact CB-CE2 3.84Å; L337-F341 HydrophobicContact CB-CZ 4.27Å; L337-F341 HydrophobicContact CD1-CE2 4.25Å; L337-F341 HydrophobicContact CD1-CZ 4.26Å; L337-F341 WeakPolarHBondContact O-CG 3.25Å; L337-F341 PolarHBondContact O-N 2.83Å
338	E	98.1	Very high	96.7	Very high	17 Å²	17	44.4 Å²	44.4	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-61.1	-51.5	-174.3	-178.7	170.9	-145	0	0	112.8	M306 Y307 R324 L340 F341 Y342 Y364 G365	M306-E338 HydrophobicContact SD-CB 3.82Å; M306-E338 HydrophobicContact SD-CG 4.44Å; Y307-E338 WeakPolarHBondContact CE2-OE1 3.4Å; Y307-E338 PolarHBondContact OH-OE1 3.4Å; R324-E338 VanDerWaalsContact CD-OE2 3.25Å; R324-E338 WeakPolarHBondContact CD-OE2 3.47Å; R324-E338 HydrophobicContact CG-CB 3.69Å; R324-E338 HydrophobicContact CG-CG 4.17Å; R324-E338 WeakPolarHBondContact CG-OE2 3.49Å; R324-E338 IonicContact NH1-OE2 2.99Å; R324-E338 PolarHBondContact NH1-OE2 2.94Å; R324-E338 VanDerWaalsContact NH1-OE2 3.16Å; R324-E338 WeakPolarHBondContact O-CB 3.37Å; R324-E338 PolarHBondContact O-N 2.91Å; E338-L340 PolarHBondContact O-N 2.72Å; E338-F341 PolarHBondContact O-N 2.76Å; E338-Y342 VanDerWaalsContact O-CB 3.25Å; E338-Y342 WeakPolarHBondContact O-CB 3.38Å; E338-Y342 PolarHBondContact O-N 2.83Å; E338-Y364 HydrophobicContact CG-CD2 3.68Å; E338-Y364 HydrophobicContact CG-CE2 3.9Å; E338-Y364 WeakPolarHBondContact OE1-CA 3.43Å; E338-G365 PolarHBondContact OE1-N 3.36Å
339	D	97.5	Very high	96.9	Very high	86 Å²	86	38 Å²	38	46%	0.46	20%	0.203	S	C	.	.	H	α-helix	trans	-62.2	-35.9	178.4	-79.5	-19.2	0	0	0	111.4	H343 Y364	D339-H343 VanDerWaalsContact O-CB 3.27Å; D339-H343 WeakPolarHBondContact O-CB 3.37Å; D339-H343 PolarHBondContact O-CD2 2.86Å; D339-H343 VanDerWaalsContact O-CG 3.31Å; D339-H343 PolarHBondContact O-N 2.8Å; D339-Y364 VanDerWaalsContact OD1-CE2 3.27Å; D339-Y364 WeakPolarHBondContact OD1-CE2 3.22Å; D339-Y364 PolarHBondContact OD1-OH 3.22Å
340	L	98.4	Very high	97.1	Very high	7 Å²	7	33 Å²	33	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-55.1	177.6	-175.4	71.2	0	0	0	110.1	Y276 L279 K280 L283 L337 E338 Y342 H343 Y344	Y276-L340 HydrophobicContact CD2-CD2 4.13Å; Y276-L340 HydrophobicContact CE2-CB 4.2Å; Y276-L340 HydrophobicContact CE2-CD1 4.48Å; Y276-L340 HydrophobicContact CE2-CD2 3.83Å; Y276-L340 HydrophobicContact CE2-CG 4.4Å; L279-L340 HydrophobicContact CB-CD2 4.3Å; L279-L340 HydrophobicContact CD2-CD2 3.66Å; L279-L340 HydrophobicContact CG-CD2 3.78Å; K280-L340 HydrophobicContact CB-CD1 4.08Å; K280-L340 HydrophobicContact CG-CD1 4.13Å; L283-L340 HydrophobicContact CD1-CD1 4.44Å; L283-L340 HydrophobicContact CD1-CD2 4.03Å; L283-L340 HydrophobicContact CD1-CG 3.84Å; L337-L340 HydrophobicContact CD2-CD2 4.38Å; L337-L340 WeakPolarHBondContact O-CB 3.38Å; L337-L340 PolarHBondContact O-N 2.79Å; E338-L340 PolarHBondContact O-N 2.72Å; L340-Y342 VanDerWaalsContact C-N 3.34Å; L340-Y342 PolarHBondContact O-N 3.34Å; L340-H343 PolarHBondContact O-N 3.1Å; L340-Y344 HydrophobicContact CD1-CD2 3.74Å; L340-Y344 HydrophobicContact CD1-CE2 3.54Å; L340-Y344 HydrophobicContact CG-CD2 4.26Å; L340-Y344 VanDerWaalsContact O-CD2 3.29Å; L340-Y344 WeakPolarHBondContact O-CD2 3.26Å; L340-Y344 PolarHBondContact O-N 2.94Å
341	F	98.6	Very high	97.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-39.8	-179.2	-66.3	-28.8	0	0	0	112.9	F257 L279 L283 T300 M306 L337 E338 G345 V346 E349	F257-F341 HydrophobicContact CD1-CZ 4.16Å; F257-F341 HydrophobicContact CE1-CE2 4.03Å; F257-F341 AromaticContact CE1-CZ 3.74Å; F257-F341 HydrophobicContact CE1-CZ 3.74Å; F257-F341 AromaticContact CZ-CE2 3.89Å; F257-F341 HydrophobicContact CZ-CE2 3.89Å; F257-F341 AromaticContact CZ-CZ 3.94Å; F257-F341 HydrophobicContact CZ-CZ 3.94Å; L279-F341 HydrophobicContact CD1-CE1 4.02Å; L279-F341 HydrophobicContact CD2-CE1 3.59Å; L279-F341 HydrophobicContact CD2-CZ 3.81Å; L279-F341 HydrophobicContact CG-CE1 4.05Å; L283-F341 HydrophobicContact CD1-CD1 4Å; L283-F341 HydrophobicContact CD1-CE1 4.25Å; T300-F341 HydrophobicContact CG2-CD1 4.25Å; T300-F341 HydrophobicContact CG2-CE1 3.89Å; T300-F341 HydrophobicContact CG2-CZ 4.07Å; M306-F341 HydrophobicContact CE-CD2 3.44Å; M306-F341 VanDerWaalsContact CE-CD2 3.44Å; M306-F341 HydrophobicContact CE-CE2 3.57Å; L337-F341 HydrophobicContact CB-CD2 4.2Å; L337-F341 HydrophobicContact CB-CE2 3.84Å; L337-F341 HydrophobicContact CB-CZ 4.27Å; L337-F341 HydrophobicContact CD1-CE2 4.25Å; L337-F341 HydrophobicContact CD1-CZ 4.26Å; L337-F341 WeakPolarHBondContact O-CG 3.25Å; L337-F341 PolarHBondContact O-N 2.83Å; E338-F341 PolarHBondContact O-N 2.76Å; F341-G345 PolarHBondContact O-N 3.08Å; F341-G345 VanDerWaalsContact O-N 3.07Å; F341-V346 HydrophobicContact CB-CB 3.99Å; F341-V346 HydrophobicContact CB-CG2 3.64Å; F341-V346 HydrophobicContact CD1-CG2 3.71Å; F341-V346 HydrophobicContact CG-CG2 3.93Å; F341-V346 WeakPolarHBondContact O-CG2 3.24Å; F341-V346 PolarHBondContact O-N 3.12Å; F341-E349 VanDerWaalsContact CB-OE1 3.24Å; F341-E349 WeakPolarHBondContact CB-OE1 3.44Å
342	Y	98	Very high	97.7	Very high	25 Å²	25	22.7 Å²	22.7	10%	0.098	13%	0.131	C	C	.	.	H	α-helix	trans	-62.3	-49	175.3	-173.7	-104.1	0	0	0	111.4	E338 L340 Y344 G345 Y364 K381 A382 F454 W457	E338-Y342 VanDerWaalsContact O-CB 3.25Å; E338-Y342 WeakPolarHBondContact O-CB 3.38Å; E338-Y342 PolarHBondContact O-N 2.83Å; L340-Y342 VanDerWaalsContact C-N 3.34Å; L340-Y342 PolarHBondContact O-N 3.34Å; Y342-Y344 VanDerWaalsContact C-N 3.34Å; Y342-Y344 PolarHBondContact O-N 2.96Å; Y342-G345 PolarHBondContact O-N 2.92Å; Y342-Y364 AromaticContact CD1-CD1 3.96Å; Y342-Y364 HydrophobicContact CD1-CD1 3.96Å; Y342-Y364 AromaticContact CD1-CD2 3.91Å; Y342-Y364 HydrophobicContact CD1-CD2 3.91Å; Y342-Y364 AromaticContact CD1-CE1 3.74Å; Y342-Y364 HydrophobicContact CD1-CE1 3.74Å; Y342-Y364 AromaticContact CD1-CE2 3.68Å; Y342-Y364 HydrophobicContact CD1-CE2 3.68Å; Y342-Y364 HydrophobicContact CD1-CG 4.05Å; Y342-Y364 AromaticContact CD1-CZ 3.6Å; Y342-Y364 AromaticContact CD2-CD1 3.93Å; Y342-Y364 HydrophobicContact CD2-CD1 3.93Å; Y342-Y364 AromaticContact CD2-CD2 3.57Å; Y342-Y364 HydrophobicContact CD2-CD2 3.57Å; Y342-Y364 HydrophobicContact CD2-CE2 4.22Å; Y342-Y364 AromaticContact CD2-CG 3.41Å; Y342-Y364 HydrophobicContact CD2-CG 3.41Å; Y342-Y364 VanDerWaalsContact CD2-CG 3.41Å; Y342-Y364 AromaticContact CE1-CD1 3.7Å; Y342-Y364 HydrophobicContact CE1-CD1 3.7Å; Y342-Y364 HydrophobicContact CE1-CD2 4.47Å; Y342-Y364 AromaticContact CE1-CE1 3.57Å; Y342-Y364 HydrophobicContact CE1-CE1 3.57Å; Y342-Y364 HydrophobicContact CE1-CE2 4.36Å; Y342-Y364 HydrophobicContact CE1-CG 4.16Å; Y342-Y364 AromaticContact CE1-CZ 3.93Å; Y342-Y364 AromaticContact CE2-CD1 3.74Å; Y342-Y364 HydrophobicContact CE2-CD1 3.74Å; Y342-Y364 HydrophobicContact CE2-CD2 4.24Å; Y342-Y364 HydrophobicContact CE2-CE1 4.45Å; Y342-Y364 AromaticContact CE2-CG 3.62Å; Y342-Y364 HydrophobicContact CE2-CG 3.62Å; Y342-Y364 HydrophobicContact CG-CD1 4.08Å; Y342-Y364 AromaticContact CG-CD2 3.42Å; Y342-Y364 HydrophobicContact CG-CD2 3.42Å; Y342-Y364 VanDerWaalsContact CG-CD2 3.42Å; Y342-Y364 HydrophobicContact CG-CE1 4.23Å; Y342-Y364 AromaticContact CG-CE2 3.6Å; Y342-Y364 HydrophobicContact CG-CE2 3.6Å; Y342-Y364 AromaticContact CG-CG 3.69Å; Y342-Y364 HydrophobicContact CG-CG 3.69Å; Y342-Y364 AromaticContact CZ-CD1 3.63Å; Y342-Y364 AromaticContact CZ-CE1 4Å; Y342-K381 WeakPolarHBondContact CE2-O 3.37Å; Y342-A382 HydrophobicContact CD2-CB 4.27Å; Y342-A382 HydrophobicContact CE2-CB 3.97Å; Y342-F454 HydrophobicContact CD1-CD2 4.37Å; Y342-F454 AromaticContact CD1-CE2 3.83Å; Y342-F454 HydrophobicContact CD1-CE2 3.83Å; Y342-F454 HydrophobicContact CE1-CD2 4.27Å; Y342-F454 AromaticContact CE1-CE2 3.47Å; Y342-F454 HydrophobicContact CE1-CE2 3.47Å; Y342-F454 VanDerWaalsContact CE1-CE2 3.47Å; Y342-F454 HydrophobicContact CE1-CZ 4.37Å; Y342-F454 WeakPolarHBondContact O-CD2 3.14Å; Y342-W457 HydrophobicContact CD1-CZ3 4.48Å; Y342-W457 AromaticContact CD2-CE3 3.75Å; Y342-W457 HydrophobicContact CD2-CE3 3.75Å; Y342-W457 HydrophobicContact CD2-CH2 4.14Å; Y342-W457 AromaticContact CD2-CZ3 3.23Å; Y342-W457 HydrophobicContact CD2-CZ3 3.23Å; Y342-W457 AromaticContact CE2-CE3 3.47Å; Y342-W457 HydrophobicContact CE2-CE3 3.47Å; Y342-W457 VanDerWaalsContact CE2-CE3 3.47Å; Y342-W457 AromaticContact CE2-CZ3 3.48Å; Y342-W457 HydrophobicContact CE2-CZ3 3.48Å; Y342-W457 VanDerWaalsContact CE2-CZ3 3.48Å; Y342-W457 HydrophobicContact CG-CE3 4.34Å; Y342-W457 AromaticContact CG-CZ3 3.76Å; Y342-W457 HydrophobicContact CG-CZ3 3.76Å; Y342-W457 AromaticContact CZ-CE3 3.89Å; Y342-W457 WeakPolarHBondContact O-CZ3 3.49Å
343	H	96.6	Very high	98	Very high	93 Å²	93	19.1 Å²	19.1	43%	0.431	11%	0.106	S	C	.	.	H	α-helix	trans	-70.6	-24.9	-177.4	-73.6	-48	0	0	0	114.9	D339 L340 G345 F454	D339-H343 VanDerWaalsContact O-CB 3.27Å; D339-H343 WeakPolarHBondContact O-CB 3.37Å; D339-H343 PolarHBondContact O-CD2 2.86Å; D339-H343 VanDerWaalsContact O-CG 3.31Å; D339-H343 PolarHBondContact O-N 2.8Å; L340-H343 PolarHBondContact O-N 3.1Å; H343-G345 VanDerWaalsContact C-N 3.32Å; H343-F454 AromaticContact CE1-CZ 3.97Å; H343-F454 AromaticContact ND1-CE1 3.91Å; H343-F454 AromaticContact ND1-CE2 3.65Å; H343-F454 AromaticContact ND1-CZ 3.49Å; H343-F454 WeakPolarHBondContact ND1-CZ 3.27Å; H343-F454 WeakPolarHBondContact O-CB 3.27Å
344	Y	97.9	Very high	98.1	Very high	45 Å²	45	16.8 Å²	16.8	18%	0.176	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	3.3	171.5	-74	-81.3	0	0	0	113.3	K280 L283 E284 N287 L340 Y342	K280-Y344 HydrophobicContact CG-CE2 4.27Å; L283-Y344 HydrophobicContact CB-CD1 3.74Å; L283-Y344 HydrophobicContact CB-CD2 4.01Å; L283-Y344 HydrophobicContact CB-CE1 4.31Å; L283-Y344 HydrophobicContact CB-CG 3.57Å; L283-Y344 HydrophobicContact CD1-CD2 4.03Å; L283-Y344 HydrophobicContact CD1-CG 4.16Å; L283-Y344 HydrophobicContact CG-CG 4.36Å; E284-Y344 HydrophobicContact CB-CE1 4.26Å; E284-Y344 HydrophobicContact CG-CE1 3.45Å; E284-Y344 VanDerWaalsContact CG-CE1 3.45Å; E284-Y344 WeakPolarHBondContact CG-OH 3.47Å; E284-Y344 PolarHBondContact OE1-OH 3.09Å; N287-Y344 PolarHBondContact ND2-O 2.81Å; N287-Y344 PolarHBondContact OD1-O 2.52Å; L340-Y344 HydrophobicContact CD1-CD2 3.74Å; L340-Y344 HydrophobicContact CD1-CE2 3.54Å; L340-Y344 HydrophobicContact CG-CD2 4.26Å; L340-Y344 VanDerWaalsContact O-CD2 3.29Å; L340-Y344 WeakPolarHBondContact O-CD2 3.26Å; L340-Y344 PolarHBondContact O-N 2.94Å; Y342-Y344 VanDerWaalsContact C-N 3.34Å; Y342-Y344 PolarHBondContact O-N 2.96Å
345	G	97.3	Very high	98.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	44.6	172.7	0	0	0	0	0	113.5	R292 F341 Y342 H343	R292-G345 PolarHBondContact NH2-O 3.38Å; F341-G345 PolarHBondContact O-N 3.08Å; F341-G345 VanDerWaalsContact O-N 3.07Å; Y342-G345 PolarHBondContact O-N 2.92Å; H343-G345 VanDerWaalsContact C-N 3.32Å
346	V	98.6	Very high	98.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.076	C	C	.	.			trans	-56.4	139	169.1	174.9	0	0	0	0	109.3	L283 I298 T300 F341 E349 P383 W457	L283-V346 HydrophobicContact CD2-CG2 4.05Å; I298-V346 HydrophobicContact CG2-CB 4.3Å; I298-V346 HydrophobicContact CG2-CG1 4.28Å; I298-V346 HydrophobicContact CG2-CG2 3.8Å; T300-V346 HydrophobicContact CG2-CG1 3.77Å; T300-V346 HydrophobicContact CG2-CG2 4.13Å; F341-V346 HydrophobicContact CB-CB 3.99Å; F341-V346 HydrophobicContact CB-CG2 3.64Å; F341-V346 HydrophobicContact CD1-CG2 3.71Å; F341-V346 HydrophobicContact CG-CG2 3.93Å; F341-V346 WeakPolarHBondContact O-CG2 3.24Å; F341-V346 PolarHBondContact O-N 3.12Å; V346-E349 HydrophobicContact CG1-CG 3.67Å; V346-P383 HydrophobicContact CB-CG 4.45Å; V346-W457 WeakPolarHBondContact O-CH2 3.08Å; V346-W457 WeakPolarHBondContact O-CZ2 3.46Å
347	D	98.6	Very high	98.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.			trans	-97.1	-46	-170.8	-59.7	-71.9	0	0	0	112.2	R292 W297 I298 V384 K449 H452	R292-D347 IonicContact CZ-OD2 3.64Å; R292-D347 IonicContact NH1-OD2 3.26Å; R292-D347 PolarHBondContact NH1-OD2 2.75Å; R292-D347 IonicContact NH2-OD1 2.59Å; R292-D347 IonicContact NH2-OD2 3.99Å; R292-D347 PolarHBondContact NH2-OD2 3.15Å; W297-D347 WeakPolarHBondContact CA-OD2 3.4Å; W297-D347 HydrophobicContact CE3-CB 3.55Å; W297-D347 HydrophobicContact CZ3-CB 3.81Å; I298-D347 PolarHBondContact N-OD2 2.56Å; I298-D347 WeakPolarHBondContact O-CB 3.17Å; I298-D347 PolarHBondContact O-N 3.09Å; D347-V384 PolarHBondContact O-N 3.11Å; D347-K449 HydrophobicContact CB-CD 4.36Å; D347-K449 WeakPolarHBondContact OD1-CD 3.34Å; D347-K449 VanDerWaalsContact OD1-CE 3.32Å; D347-K449 WeakPolarHBondContact OD1-CE 3.2Å; D347-K449 IonicContact OD1-NZ 3.67Å; D347-K449 PolarHBondContact OD1-NZ 3.35Å; D347-H452 IonicContact OD1-ND1 2.79Å; D347-H452 PolarHBondContact OD1-ND1 2.88Å; D347-H452 IonicContact OD2-ND1 3.72Å
348	V	98.7	Very high	98.3	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.018	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	134.2	-179.1	-178.8	0	0	0	0	109.3	I299 T300 L350 V384 I428 V447	I299-V348 VanDerWaalsContact CA-O 3.31Å; I299-V348 WeakPolarHBondContact CA-O 3.46Å; I299-V348 HydrophobicContact CG1-CB 4.45Å; I299-V348 HydrophobicContact CG2-CB 4.39Å; T300-V348 PolarHBondContact N-O 2.88Å; V348-L350 HydrophobicContact CG1-CD2 3.76Å; V348-L350 HydrophobicContact CG1-CG 4.32Å; V348-V384 CarbonylContact C-O 3.56Å; V348-V384 WeakPolarHBondContact CA-O 3.36Å; V348-I428 HydrophobicContact CG2-CD1 4.21Å; V348-V447 HydrophobicContact CG2-CG2 4.46Å
349	E	98.9	Very high	98.3	Very high	3 Å²	3	14.9 Å²	14.9	1%	0.014	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.6	178.2	-52.8	-170.1	-176.4	0	0	108.9	T300 F341 V346 W351 P383 V384 H385 I386	T300-E349 WeakPolarHBondContact OG1-CA 3.46Å; T300-E349 WeakPolarHBondContact OG1-CB 3.28Å; T300-E349 WeakPolarHBondContact OG1-CG 3.33Å; F341-E349 VanDerWaalsContact CB-OE1 3.24Å; F341-E349 WeakPolarHBondContact CB-OE1 3.44Å; V346-E349 HydrophobicContact CG1-CG 3.67Å; E349-W351 HydrophobicContact CB-CZ2 3.86Å; E349-W351 PolarHBondContact O-NE1 3.32Å; E349-W351 VanDerWaalsContact OE2-CZ2 3.24Å; E349-W351 WeakPolarHBondContact OE2-CZ2 3.18Å; E349-P383 HydrophobicContact CG-CB 3.83Å; E349-P383 VanDerWaalsContact OE1-CB 3.31Å; E349-P383 WeakPolarHBondContact OE1-CB 3.27Å; E349-P383 VanDerWaalsContact OE1-CG 3.3Å; E349-P383 WeakPolarHBondContact OE1-CG 3.38Å; E349-V384 PolarHBondContact N-O 2.78Å; E349-H385 WeakPolarHBondContact O-CA 3.41Å; E349-H385 IonicContact OE2-CE1 3.71Å; E349-H385 PolarHBondContact OE2-CE1 3.25Å; E349-H385 IonicContact OE2-ND1 3.62Å; E349-H385 PolarHBondContact OE2-ND1 3.5Å; E349-H385 IonicContact OE2-NE2 3.27Å; E349-I386 PolarHBondContact O-N 2.6Å
350	L	98.9	Very high	98.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.1	-175.2	-55.7	175.8	0	0	0	110	L153 L181 I183 I299 T300 M301 G302 V348 I386	L153-L350 HydrophobicContact CD1-CD1 3.84Å; L153-L350 HydrophobicContact CD1-CD2 3.97Å; L153-L350 HydrophobicContact CD2-CD1 4.02Å; L181-L350 HydrophobicContact CD1-CD1 4.02Å; I183-L350 HydrophobicContact CD1-CB 3.82Å; I299-L350 HydrophobicContact CG2-CD1 3.86Å; I299-L350 HydrophobicContact CG2-CG 4.12Å; T300-L350 WeakPolarHBondContact O-CB 3.5Å; T300-L350 PolarHBondContact O-N 3.44Å; M301-L350 WeakPolarHBondContact CA-O 3.23Å; M301-L350 HydrophobicContact CB-CB 4.23Å; G302-L350 PolarHBondContact N-O 3.35Å; G302-L350 VanDerWaalsContact N-O 3.09Å; V348-L350 HydrophobicContact CG1-CD2 3.76Å; V348-L350 HydrophobicContact CG1-CG 4.32Å; L350-I386 HydrophobicContact CD2-CB 4.06Å; L350-I386 HydrophobicContact CD2-CG1 4.39Å
351	W	98.8	Very high	98.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	169.1	-173.2	-48.3	100.5	0	0	0	111.8	F257 T259 G302 R304 P305 M306 V323 E349 H385 I386 I387 T388	F257-W351 HydrophobicContact CE1-CZ3 4.49Å; F257-W351 HydrophobicContact CE2-CH2 4.46Å; F257-W351 HydrophobicContact CE2-CZ3 4.24Å; F257-W351 AromaticContact CZ-CH2 3.63Å; F257-W351 HydrophobicContact CZ-CH2 3.63Å; F257-W351 AromaticContact CZ-CZ3 3.56Å; F257-W351 HydrophobicContact CZ-CZ3 3.56Å; T259-W351 HydrophobicContact CG2-CZ3 4.13Å; G302-W351 WeakPolarHBondContact O-CA 3.16Å; G302-W351 VanDerWaalsContact O-CE3 3.29Å; R304-W351 WeakPolarHBondContact O-CZ3 3.39Å; P305-W351 HydrophobicContact CB-CB 3.76Å; P305-W351 HydrophobicContact CB-CD2 4.19Å; P305-W351 HydrophobicContact CB-CG 3.84Å; M306-W351 HydrophobicContact CB-CZ2 4.46Å; M306-W351 HydrophobicContact CE-CH2 3.77Å; M306-W351 HydrophobicContact CE-CZ2 4.02Å; M306-W351 HydrophobicContact CG-CH2 3.79Å; M306-W351 HydrophobicContact CG-CZ2 3.84Å; M306-W351 HydrophobicContact SD-CZ2 4.48Å; V323-W351 HydrophobicContact CG1-CH2 4.41Å; V323-W351 HydrophobicContact CG1-CZ3 4.47Å; E349-W351 HydrophobicContact CB-CZ2 3.86Å; E349-W351 PolarHBondContact O-NE1 3.32Å; E349-W351 VanDerWaalsContact OE2-CZ2 3.24Å; E349-W351 WeakPolarHBondContact OE2-CZ2 3.18Å; W351-H385 AromaticContact CE2-ND1 3.83Å; W351-H385 AromaticContact NE1-CG 3.8Å; W351-H385 AromaticContact NE1-ND1 3.12Å; W351-H385 PolarHBondContact NE1-ND1 2.02Å; W351-H385 VanDerWaalsContact NE1-ND1 3.12Å; W351-I386 PolarHBondContact N-O 2.79Å; W351-I387 HydrophobicContact CB-CG1 4.21Å; W351-T388 PolarHBondContact O-N 3.08Å
352	A	98.6	Very high	98.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.058	C	C	.	.			trans	-146.7	-140.4	-177.4	0	0	0	0	0	108	D156 I183 H303 P305 E354	D156-A352 VanDerWaalsContact OD2-CB 3.29Å; D156-A352 WeakPolarHBondContact OD2-CB 3.25Å; I183-A352 HydrophobicContact CB-CB 3.84Å; I183-A352 HydrophobicContact CG2-CB 3.86Å; I183-A352 WeakPolarHBondContact O-CB 3.35Å; H303-A352 CarbonylContact O-C 3.52Å; H303-A352 VanDerWaalsContact O-C 3.29Å; H303-A352 PolarHBondContact O-N 3.07Å; P305-A352 WeakPolarHBondContact CD-O 3.36Å; A352-E354 PolarHBondContact O-N 3.12Å
353	H	98.6	Very high	98.3	Very high	19 Å²	19	12.5 Å²	12.5	9%	0.088	5%	0.053	C	C	.	.	S	Bend	trans	72.6	-56.3	174.8	-168.1	52.3	0	0	0	114	D156 D185 N220 H303 R304 D314 H355	D156-H353 WeakPolarHBondContact OD1-CA 3.49Å; D156-H353 PolarHBondContact OD1-N 2.94Å; D156-H353 PolarHBondContact OD2-N 3.26Å; D185-H353 IonicContact OD2-ND1 3.67Å; N220-H353 PolarHBondContact OD1-CE1 3.07Å; N220-H353 PolarHBondContact OD1-ND1 3.15Å; H303-H353 AromaticContact CD2-ND1 3.75Å; H303-H353 VanDerWaalsContact CE1-CA 3.41Å; H303-H353 WeakPolarHBondContact CE1-CA 3.08Å; H303-H353 PolarHBondContact CE1-N 3.25Å; H303-H353 AromaticContact CE1-ND1 3.96Å; H303-H353 WeakPolarHBondContact NE2-CB 3.23Å; H303-H353 AromaticContact NE2-CG 3.57Å; H303-H353 AromaticContact NE2-ND1 3.05Å; H303-H353 PolarHBondContact NE2-ND1 2.65Å; R304-H353 HydrophobicContact CG-CB 4.34Å; R304-H353 VanDerWaalsContact CZ-NE2 3.3Å; R304-H353 PolarHBondContact NH1-NE2 3.23Å; R304-H353 PolarHBondContact NH2-CE1 3.27Å; R304-H353 PolarHBondContact NH2-NE2 3.06Å; D314-H353 IonicContact OD2-CD2 3.76Å; D314-H353 PolarHBondContact OD2-CD2 2.81Å; D314-H353 IonicContact OD2-NE2 3.81Å; D314-H353 PolarHBondContact OD2-NE2 3.19Å; H353-H355 PolarHBondContact O-CD2 3.01Å; H353-H355 PolarHBondContact O-N 2.94Å
354	E	98.3	Very high	98.3	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	4%	0.041	C	C	.	.	S	Bend	trans	-70.5	122.9	171.1	-56.1	-60.6	141.4	0	0	108	P305 C308 D310 C316 A352 T356 I387 G389	P305-E354 HydrophobicContact CG-CG 3.79Å; C308-E354 HydrophobicContact CB-CG 3.71Å; D310-E354 WeakPolarHBondContact CB-OE2 3.31Å; D310-E354 VanDerWaalsContact CG-OE2 3.29Å; C316-E354 PolarHBondContact SG-OE1 2.98Å; A352-E354 PolarHBondContact O-N 3.12Å; E354-T356 PolarHBondContact O-N 3.22Å; E354-I387 HydrophobicContact CB-CG2 3.92Å; E354-I387 HydrophobicContact CG-CD1 4.49Å; E354-G389 CarbonylContact O-C 3.58Å; E354-G389 VanDerWaalsContact O-CA 3.26Å; E354-G389 WeakPolarHBondContact O-CA 3.02Å
355	H	98.4	Very high	98.2	Very high	10 Å²	10	9.5 Å²	9.5	5%	0.046	5%	0.047	C	C	.	.	S	Bend	trans	-78.5	47.1	-175.2	-55.2	140.2	0	0	0	112.6	D156 Y188 H353 G389 C393 E395 R396 T397 D398	D156-H355 IonicContact OD1-CD2 2.76Å; D156-H355 IonicContact OD1-NE2 3.86Å; Y188-H355 AromaticContact CE1-NE2 3.86Å; Y188-H355 AromaticContact CZ-NE2 3.75Å; Y188-H355 PolarHBondContact OH-NE2 3.02Å; H353-H355 PolarHBondContact O-CD2 3.01Å; H353-H355 PolarHBondContact O-N 2.94Å; H355-G389 VanDerWaalsContact CA-O 3.31Å; H355-G389 WeakPolarHBondContact CA-O 3.41Å; H355-C393 VanDerWaalsContact CE1-SG 3.59Å; H355-C393 PolarHBondContact NE2-SG 3.41Å; H355-E395 IonicContact CE1-OE2 3.28Å; H355-R396 WeakPolarHBondContact CB-O 3.38Å; H355-R396 VanDerWaalsContact CG-O 3.3Å; H355-R396 PolarHBondContact ND1-O 2.67Å; H355-T397 VanDerWaalsContact O-CA 3.22Å; H355-T397 WeakPolarHBondContact O-CA 3.44Å; H355-T397 VanDerWaalsContact O-CB 3.31Å; H355-T397 WeakPolarHBondContact O-CB 3.44Å; H355-D398 WeakPolarHBondContact CA-OD2 3.44Å; H355-D398 WeakPolarHBondContact CB-OD2 3.43Å; H355-D398 IonicContact CG-OD2 2.73Å; H355-D398 PolarHBondContact N-OD2 3.3Å; H355-D398 IonicContact ND1-OD2 3.66Å; H355-D398 PolarHBondContact O-N 2.73Å
356	T	98.3	Very high	98	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	-138.8	178.4	179.7	62.8	0	0	0	0	111	D310 E354 G389 S390 D398 F400 T413	D310-T356 WeakPolarHBondContact OD1-CG2 3.45Å; D310-T356 PolarHBondContact OD1-OG1 3.26Å; E354-T356 PolarHBondContact O-N 3.22Å; T356-G389 PolarHBondContact O-N 3.19Å; T356-S390 VanDerWaalsContact C-OG 3.27Å; T356-S390 PolarHBondContact O-OG 3.31Å; T356-S390 VanDerWaalsContact O-OG 3.1Å; T356-D398 HydrophobicContact CG2-CB 3.99Å; T356-F400 HydrophobicContact CG2-CE1 4.25Å; T356-F400 HydrophobicContact CG2-CE2 3.91Å; T356-F400 HydrophobicContact CG2-CZ 3.75Å; T356-F400 VanDerWaalsContact OG1-CZ 3.29Å; T356-F400 WeakPolarHBondContact OG1-CZ 3.45Å; T356-T413 HydrophobicContact CG2-CG2 4.18Å
357	Y	98.8	Very high	97.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.4	162	171.8	-101.1	0	0	0	108.9	R359 I386 I387 F410 R411 S412 S418 Q432 D443	Y357-R359 HydrophobicContact CE1-CB 4.31Å; Y357-I386 HydrophobicContact CE2-CG2 3.87Å; Y357-I387 WeakPolarHBondContact CA-O 3.43Å; Y357-I387 WeakPolarHBondContact CD2-O 3.4Å; Y357-F410 AromaticContact CD1-CD1 3.81Å; Y357-F410 HydrophobicContact CD1-CD1 3.81Å; Y357-F410 AromaticContact CD1-CE1 3.96Å; Y357-F410 HydrophobicContact CD1-CE1 3.96Å; Y357-F410 AromaticContact CE1-CD1 3.59Å; Y357-F410 HydrophobicContact CE1-CD1 3.59Å; Y357-F410 AromaticContact CE1-CE1 3.99Å; Y357-F410 HydrophobicContact CE1-CE1 3.99Å; Y357-R411 CarbonylContact O-C 3.56Å; Y357-R411 WeakPolarHBondContact O-CA 3.49Å; Y357-S412 PolarHBondContact N-O 3.07Å; Y357-S412 PolarHBondContact O-N 3Å; Y357-S418 WeakPolarHBondContact CE2-OG 3.09Å; Y357-Q432 HydrophobicContact CD1-CB 3.95Å; Y357-Q432 HydrophobicContact CD1-CG 3.69Å; Y357-Q432 HydrophobicContact CD2-CB 3.97Å; Y357-Q432 HydrophobicContact CD2-CG 3.67Å; Y357-Q432 HydrophobicContact CE1-CB 3.68Å; Y357-Q432 HydrophobicContact CE1-CG 3.99Å; Y357-Q432 HydrophobicContact CE2-CB 3.71Å; Y357-Q432 HydrophobicContact CE2-CG 3.98Å; Y357-Q432 HydrophobicContact CG-CB 4.07Å; Y357-Q432 VanDerWaalsContact CG-CD 3.5Å; Y357-Q432 HydrophobicContact CG-CG 3.5Å; Y357-D443 HydrophobicContact CE1-CB 3.78Å; Y357-D443 WeakPolarHBondContact CE1-OD2 3.35Å; Y357-D443 PolarHBondContact OH-OD2 2.99Å; Y357-D443 VanDerWaalsContact OH-OD2 3.09Å
358	E	98.8	Very high	97.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	125.5	172.8	-175.4	166.6	-169.8	0	0	110.5	S309 L360 I387 F400 S408 F410 R411	S309-E358 WeakPolarHBondContact CB-OE1 3.45Å; S309-E358 WeakPolarHBondContact CB-OE2 3.41Å; S309-E358 PolarHBondContact N-OE2 3.44Å; S309-E358 PolarHBondContact OG-OE1 2.84Å; S309-E358 PolarHBondContact OG-OE2 2.98Å; E358-L360 HydrophobicContact CG-CD1 3.89Å; E358-I387 HydrophobicContact CB-CB 4.18Å; E358-I387 HydrophobicContact CB-CD1 4.06Å; E358-I387 HydrophobicContact CB-CG1 4.34Å; E358-I387 PolarHBondContact N-O 3.47Å; E358-I387 VanDerWaalsContact N-O 3.12Å; E358-I387 PolarHBondContact O-N 2.93Å; E358-F400 HydrophobicContact CB-CE1 4.29Å; E358-F400 HydrophobicContact CB-CZ 4.39Å; E358-S408 WeakPolarHBondContact OE1-CB 3.21Å; E358-S408 PolarHBondContact OE1-OG 3.37Å; E358-F410 WeakPolarHBondContact CA-O 2.98Å; E358-R411 HydrophobicContact CG-CG 4.01Å
359	R	98.7	Very high	97.7	Very high	20 Å²	20	23.7 Å²	23.7	8%	0.075	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.6	166.7	169.8	171.1	54.5	75.3	-1.3	108.9	Y357 Y377 I386 A409 F410 D443 I445	Y357-R359 HydrophobicContact CE1-CB 4.31Å; R359-Y377 WeakPolarHBondContact CD-OH 3.33Å; R359-Y377 WeakPolarHBondContact CG-OH 3.45Å; R359-Y377 PolarHBondContact NH1-OH 2.78Å; R359-I386 HydrophobicContact CB-CD1 3.93Å; R359-I386 HydrophobicContact CG-CD1 3.69Å; R359-A409 WeakPolarHBondContact O-CA 3.48Å; R359-A409 VanDerWaalsContact O-CB 3.24Å; R359-A409 WeakPolarHBondContact O-CB 3.33Å; R359-A409 PolarHBondContact O-N 2.89Å; R359-F410 HydrophobicContact CB-CB 4.37Å; R359-F410 PolarHBondContact N-O 3Å; R359-F410 PolarHBondContact O-N 3.03Å; R359-D443 IonicContact CZ-OD1 3.19Å; R359-D443 IonicContact CZ-OD2 3.75Å; R359-D443 IonicContact NE-OD1 3.9Å; R359-D443 IonicContact NE-OD2 3.83Å; R359-D443 PolarHBondContact NE-OD2 2.92Å; R359-D443 IonicContact NH2-OD1 3.35Å; R359-D443 PolarHBondContact NH2-OD1 2.93Å; R359-D443 IonicContact NH2-OD2 3.87Å; R359-D443 PolarHBondContact NH2-OD2 2.9Å; R359-I445 VanDerWaalsContact NE-CG2 3.27Å
360	L	98.5	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	157.7	176.4	-68.4	76.8	0	0	0	110.8	Y307 E358 V363 Y377 H385 I387 W407	Y307-L360 VanDerWaalsContact CB-CD2 3.47Å; Y307-L360 HydrophobicContact CD2-CD2 4.47Å; Y307-L360 HydrophobicContact CG-CD2 4.18Å; E358-L360 HydrophobicContact CG-CD1 3.89Å; L360-V363 HydrophobicContact CD2-CG1 4.1Å; L360-Y377 WeakPolarHBondContact O-CE1 3.15Å; L360-Y377 PolarHBondContact O-OH 3.06Å; L360-H385 HydrophobicContact CB-CB 4.11Å; L360-H385 HydrophobicContact CD1-CB 4Å; L360-H385 HydrophobicContact CD2-CB 4.01Å; L360-H385 HydrophobicContact CG-CB 4.26Å; L360-H385 PolarHBondContact N-O 3.3Å; L360-H385 VanDerWaalsContact N-O 3.1Å; L360-I387 HydrophobicContact CD1-CD1 4.45Å; L360-I387 HydrophobicContact CD1-CG1 4.34Å; L360-W407 CarbonylContact C-O 3.59Å; L360-W407 VanDerWaalsContact CA-O 3.3Å; L360-W407 WeakPolarHBondContact CA-O 3.38Å; L360-W407 HydrophobicContact CB-CE3 4.4Å; L360-W407 HydrophobicContact CD1-CZ3 4.43Å; L360-W407 HydrophobicContact CD2-CD2 3.99Å; L360-W407 HydrophobicContact CD2-CE3 3.19Å; L360-W407 HydrophobicContact CD2-CH2 4.33Å; L360-W407 HydrophobicContact CD2-CZ3 3.4Å; L360-W407 VanDerWaalsContact CD2-CZ3 3.4Å; L360-W407 HydrophobicContact CG-CE3 3.53Å; L360-W407 HydrophobicContact CG-CZ3 3.74Å
361	W	98.1	Very high	97.3	Very high	68 Å²	68	27.2 Å²	27.2	26%	0.258	14%	0.139	S	C	.	.	P	Polyproline II helix	trans	-66.2	159.1	156.4	-60	119.1	0	0	0	109.4	V363 V368 P376 Y377 W407 A409	W361-V363 PolarHBondContact O-N 3.16Å; W361-V363 VanDerWaalsContact O-N 3.13Å; W361-V368 HydrophobicContact CB-CB 4.46Å; W361-V368 HydrophobicContact CB-CG1 3.64Å; W361-V368 HydrophobicContact CB-CG2 4.02Å; W361-V368 HydrophobicContact CG-CG1 4.17Å; W361-V368 HydrophobicContact CG-CG2 4.48Å; W361-P376 HydrophobicContact CE3-CB 3.66Å; W361-P376 HydrophobicContact CE3-CG 3.81Å; W361-P376 HydrophobicContact CH2-CG 4.01Å; W361-P376 HydrophobicContact CZ3-CB 3.63Å; W361-P376 HydrophobicContact CZ3-CG 3.22Å; W361-Y377 HydrophobicContact CE3-CE1 4.27Å; W361-Y377 AromaticContact CE3-CE2 3.84Å; W361-Y377 HydrophobicContact CE3-CE2 3.84Å; W361-Y377 AromaticContact CE3-CZ 3.55Å; W361-Y377 VanDerWaalsContact CE3-OH 3.3Å; W361-Y377 HydrophobicContact CZ3-CD2 4.37Å; W361-Y377 AromaticContact CZ3-CE2 3.48Å; W361-Y377 HydrophobicContact CZ3-CE2 3.48Å; W361-Y377 VanDerWaalsContact CZ3-CE2 3.48Å; W361-Y377 AromaticContact CZ3-CZ 3.69Å; W361-W407 PolarHBondContact N-O 2.82Å; W361-A409 HydrophobicContact CD2-CB 3.47Å; W361-A409 VanDerWaalsContact CD2-CB 3.47Å; W361-A409 HydrophobicContact CE3-CB 3.84Å; W361-A409 HydrophobicContact CG-CB 3.9Å; W361-A409 HydrophobicContact CH2-CB 4.02Å; W361-A409 HydrophobicContact CZ2-CB 3.67Å; W361-A409 HydrophobicContact CZ3-CB 4.07Å
362	P	97.7	Very high	97	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-57.2	121.5	172.6	-14.9	27.5	0	0	0	109.8	V368 Y369 N370 Y377 P380 A382 P383 V384	P362-V368 CarbonylContact O-C 3.54Å; P362-V368 WeakPolarHBondContact O-CA 3.42Å; P362-Y369 PolarHBondContact O-N 2.94Å; P362-N370 WeakPolarHBondContact CD-OD1 3.38Å; P362-Y377 HydrophobicContact CG-CD1 4.27Å; P362-Y377 HydrophobicContact CG-CE1 4.41Å; P362-P380 HydrophobicContact CB-CB 3.71Å; P362-P380 HydrophobicContact CG-CB 3.35Å; P362-P380 HydrophobicContact CG-CG 4.46Å; P362-A382 HydrophobicContact CB-CB 4.21Å; P362-P383 VanDerWaalsContact CA-O 3.22Å; P362-P383 WeakPolarHBondContact CA-O 3.42Å; P362-V384 HydrophobicContact CB-CG2 4.45Å; P362-V384 HydrophobicContact CG-CG2 4.16Å
363	V	97.3	Very high	96.7	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.9	-167.8	62.7	0	0	0	0	111.4	Y307 L360 W361 K367 A382 P383 H385 W407	Y307-V363 HydrophobicContact CD2-CG1 3.72Å; Y307-V363 HydrophobicContact CE1-CG2 4.17Å; Y307-V363 HydrophobicContact CE2-CG1 3.69Å; Y307-V363 HydrophobicContact CE2-CG2 4.07Å; Y307-V363 HydrophobicContact CG-CG1 4.4Å; L360-V363 HydrophobicContact CD2-CG1 4.1Å; W361-V363 PolarHBondContact O-N 3.16Å; W361-V363 VanDerWaalsContact O-N 3.13Å; V363-K367 WeakPolarHBondContact CA-O 3.35Å; V363-A382 WeakPolarHBondContact O-CB 3.16Å; V363-P383 PolarHBondContact N-O 3.08Å; V363-H385 WeakPolarHBondContact CG1-CD2 3.43Å; V363-W407 HydrophobicContact CB-CB 4.09Å; V363-W407 HydrophobicContact CG2-CB 3.84Å; V363-W407 HydrophobicContact CG2-CG 4.01Å
364	Y	96.7	Very high	96.5	Very high	45 Å²	45	44.4 Å²	44.4	18%	0.176	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	129.6	170.1	169.4	-111.1	0	0	0	109.2	E338 D339 Y342 D366 K367 Y369	E338-Y364 HydrophobicContact CG-CD2 3.68Å; E338-Y364 HydrophobicContact CG-CE2 3.9Å; E338-Y364 WeakPolarHBondContact OE1-CA 3.43Å; D339-Y364 VanDerWaalsContact OD1-CE2 3.27Å; D339-Y364 WeakPolarHBondContact OD1-CE2 3.22Å; D339-Y364 PolarHBondContact OD1-OH 3.22Å; Y342-Y364 AromaticContact CD1-CD1 3.96Å; Y342-Y364 HydrophobicContact CD1-CD1 3.96Å; Y342-Y364 AromaticContact CD1-CD2 3.91Å; Y342-Y364 HydrophobicContact CD1-CD2 3.91Å; Y342-Y364 AromaticContact CD1-CE1 3.74Å; Y342-Y364 HydrophobicContact CD1-CE1 3.74Å; Y342-Y364 AromaticContact CD1-CE2 3.68Å; Y342-Y364 HydrophobicContact CD1-CE2 3.68Å; Y342-Y364 HydrophobicContact CD1-CG 4.05Å; Y342-Y364 AromaticContact CD1-CZ 3.6Å; Y342-Y364 AromaticContact CD2-CD1 3.93Å; Y342-Y364 HydrophobicContact CD2-CD1 3.93Å; Y342-Y364 AromaticContact CD2-CD2 3.57Å; Y342-Y364 HydrophobicContact CD2-CD2 3.57Å; Y342-Y364 HydrophobicContact CD2-CE2 4.22Å; Y342-Y364 AromaticContact CD2-CG 3.41Å; Y342-Y364 HydrophobicContact CD2-CG 3.41Å; Y342-Y364 VanDerWaalsContact CD2-CG 3.41Å; Y342-Y364 AromaticContact CE1-CD1 3.7Å; Y342-Y364 HydrophobicContact CE1-CD1 3.7Å; Y342-Y364 HydrophobicContact CE1-CD2 4.47Å; Y342-Y364 AromaticContact CE1-CE1 3.57Å; Y342-Y364 HydrophobicContact CE1-CE1 3.57Å; Y342-Y364 HydrophobicContact CE1-CE2 4.36Å; Y342-Y364 HydrophobicContact CE1-CG 4.16Å; Y342-Y364 AromaticContact CE1-CZ 3.93Å; Y342-Y364 AromaticContact CE2-CD1 3.74Å; Y342-Y364 HydrophobicContact CE2-CD1 3.74Å; Y342-Y364 HydrophobicContact CE2-CD2 4.24Å; Y342-Y364 HydrophobicContact CE2-CE1 4.45Å; Y342-Y364 AromaticContact CE2-CG 3.62Å; Y342-Y364 HydrophobicContact CE2-CG 3.62Å; Y342-Y364 HydrophobicContact CG-CD1 4.08Å; Y342-Y364 AromaticContact CG-CD2 3.42Å; Y342-Y364 HydrophobicContact CG-CD2 3.42Å; Y342-Y364 VanDerWaalsContact CG-CD2 3.42Å; Y342-Y364 HydrophobicContact CG-CE1 4.23Å; Y342-Y364 AromaticContact CG-CE2 3.6Å; Y342-Y364 HydrophobicContact CG-CE2 3.6Å; Y342-Y364 AromaticContact CG-CG 3.69Å; Y342-Y364 HydrophobicContact CG-CG 3.69Å; Y342-Y364 AromaticContact CZ-CD1 3.63Å; Y342-Y364 AromaticContact CZ-CE1 4Å; Y364-D366 PolarHBondContact O-N 3.22Å; Y364-K367 PolarHBondContact N-O 3.21Å; Y364-K367 PolarHBondContact O-N 2.74Å; Y364-K367 VanDerWaalsContact O-N 3.14Å; Y364-Y369 HydrophobicContact CD1-CE2 4.09Å; Y364-Y369 HydrophobicContact CG-CE2 4.47Å; Y364-Y369 WeakPolarHBondContact O-CE2 3.43Å
365	G	95.4	Very high	96.4	Very high	30 Å²	30	49.8 Å²	49.8	31%	0.309	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	46.6	180	0	0	0	0	0	113.8	Y307 E338 K367	Y307-G365 PolarHBondContact OH-N 3.35Å; Y307-G365 VanDerWaalsContact OH-N 3.16Å; E338-G365 PolarHBondContact OE1-N 3.36Å; G365-K367 PolarHBondContact O-N 2.63Å
366	D	93.8	Very high	96.4	Very high	46 Å²	46	50.1 Å²	50.1	25%	0.246	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	22.6	-178	-152.3	35	0	0	0	113.9	Y307 F319 Y364 K405 W407	Y307-D366 PolarHBondContact OH-N 2.94Å; F319-D366 HydrophobicContact CD2-CB 4.4Å; F319-D366 HydrophobicContact CE2-CB 4.07Å; Y364-D366 PolarHBondContact O-N 3.22Å; D366-K405 IonicContact OD2-NZ 3.52Å; D366-K405 PolarHBondContact OD2-NZ 3.16Å; D366-W407 VanDerWaalsContact OD1-CD1 3.26Å; D366-W407 PolarHBondContact OD1-NE1 2.89Å
367	K	95.5	Very high	96.4	Very high	134 Å²	134	50.8 Å²	50.8	58%	0.583	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.6	179.7	-67.4	176	-174.8	172.5	0	111.9	V363 Y364 G365 Y369	V363-K367 WeakPolarHBondContact CA-O 3.35Å; Y364-K367 PolarHBondContact N-O 3.21Å; Y364-K367 PolarHBondContact O-N 2.74Å; Y364-K367 VanDerWaalsContact O-N 3.14Å; G365-K367 PolarHBondContact O-N 2.63Å; K367-Y369 HydrophobicContact CB-CD2 4.43Å; K367-Y369 HydrophobicContact CB-CE2 3.73Å; K367-Y369 WeakPolarHBondContact O-CD2 3.45Å; K367-Y369 WeakPolarHBondContact O-CE2 3.42Å
368	V	97.4	Very high	96.3	Very high	50 Å²	50	52.6 Å²	52.6	30%	0.303	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.6	178.5	176.1	0	0	0	0	111.6	W361 P362 N370 W407	W361-V368 HydrophobicContact CB-CB 4.46Å; W361-V368 HydrophobicContact CB-CG1 3.64Å; W361-V368 HydrophobicContact CB-CG2 4.02Å; W361-V368 HydrophobicContact CG-CG1 4.17Å; W361-V368 HydrophobicContact CG-CG2 4.48Å; P362-V368 CarbonylContact O-C 3.54Å; P362-V368 WeakPolarHBondContact O-CA 3.42Å; V368-N370 HydrophobicContact CG1-CB 4.28Å; V368-N370 VanDerWaalsContact CG1-CG 3.42Å; V368-N370 VanDerWaalsContact CG1-OD1 3.27Å; V368-N370 WeakPolarHBondContact CG1-OD1 3.4Å; V368-W407 HydrophobicContact CG2-CB 3.78Å
369	Y	96.6	Very high	96.2	Very high	71 Å²	71	55.1 Å²	55.1	28%	0.278	28%	0.277	S	S	.	.			trans	-124.6	48.5	-177.7	-73.3	-86.4	0	0	0	111.9	P362 Y364 K367 K381 A382	P362-Y369 PolarHBondContact O-N 2.94Å; Y364-Y369 HydrophobicContact CD1-CE2 4.09Å; Y364-Y369 HydrophobicContact CG-CE2 4.47Å; Y364-Y369 WeakPolarHBondContact O-CE2 3.43Å; K367-Y369 HydrophobicContact CB-CD2 4.43Å; K367-Y369 HydrophobicContact CB-CE2 3.73Å; K367-Y369 WeakPolarHBondContact O-CD2 3.45Å; K367-Y369 WeakPolarHBondContact O-CE2 3.42Å; Y369-K381 HydrophobicContact CD1-CB 4.4Å; Y369-K381 PolarHBondContact O-N 2.78Å; Y369-A382 HydrophobicContact CD2-CB 4.03Å; Y369-A382 HydrophobicContact CG-CB 4.11Å
370	N	94.9	Very high	96.1	Very high	50 Å²	50	54.2 Å²	54.2	27%	0.267	27%	0.273	S	S	.	.			trans	-51	147.9	173.1	-72.5	-16	0	0	0	112.1	P362 V368 P376	P362-N370 WeakPolarHBondContact CD-OD1 3.38Å; V368-N370 HydrophobicContact CG1-CB 4.28Å; V368-N370 VanDerWaalsContact CG1-CG 3.42Å; V368-N370 VanDerWaalsContact CG1-OD1 3.27Å; V368-N370 WeakPolarHBondContact CG1-OD1 3.4Å; N370-P376 HydrophobicContact CB-CB 3.93Å; N370-P376 VanDerWaalsContact CG-CB 3.42Å; N370-P376 WeakPolarHBondContact OD1-CB 3.33Å
371	G	93.3	Very high	96	Very high	26 Å²	26	58 Å²	58	27%	0.268	29%	0.29	S	S	.	.	S	Bend	trans	-63.8	-50.3	170	0	0	0	0	0	112.3	P376 V378	G371-P376 PolarHBondContact N-O 3.44Å; G371-V378 WeakPolarHBondContact CA-O 3.4Å
372	S	94	Very high	95.9	Very high	45 Å²	45	54.8 Å²	54.8	32%	0.315	28%	0.277	S	S	.	.			trans	-148.7	175.5	170	66.7	0	0	0	0	110.7	Q375 P376	S372-Q375 PolarHBondContact N-O 3.33Å; S372-Q375 CarbonylContact O-C 3.54Å; S372-Q375 WeakPolarHBondContact OG-CA 3.42Å; S372-Q375 WeakPolarHBondContact OG-CB 3.31Å; S372-Q375 PolarHBondContact OG-N 2.69Å; S372-Q375 PolarHBondContact OG-O 3.35Å; S372-P376 VanDerWaalsContact O-CA 3.31Å; S372-P376 WeakPolarHBondContact O-CA 3.14Å
373	K	91.4	Very high	95.9	Very high	183 Å²	183	55 Å²	55	80%	0.796	28%	0.279	S	S	*	.	S	Bend	trans	-69	-39.8	177.1	-176.3	-178.2	179.1	-176.8	0	111.7
374	E	95.3	Very high	96	Very high	152 Å²	152	54.9 Å²	54.9	71%	0.71	28%	0.278	S	S	*	.	S	Bend	trans	-83.9	-30.1	-176.9	-63	68.6	-148.7	0	0	112.2
375	Q	96.4	Very high	96.1	Very high	114 Å²	114	53 Å²	53	53%	0.533	27%	0.271	S	S	.	.			trans	-130.4	75.3	-179.3	-63.4	-173.7	-32.8	0	0	109.9	S372 Y377 V378	S372-Q375 PolarHBondContact N-O 3.33Å; S372-Q375 CarbonylContact O-C 3.54Å; S372-Q375 WeakPolarHBondContact OG-CA 3.42Å; S372-Q375 WeakPolarHBondContact OG-CB 3.31Å; S372-Q375 PolarHBondContact OG-N 2.69Å; S372-Q375 PolarHBondContact OG-O 3.35Å; Q375-Y377 VanDerWaalsContact C-N 3.29Å; Q375-Y377 PolarHBondContact O-N 2.81Å; Q375-V378 HydrophobicContact CB-CB 3.9Å; Q375-V378 HydrophobicContact CB-CG2 3.73Å; Q375-V378 HydrophobicContact CG-CG2 4.33Å; Q375-V378 PolarHBondContact O-N 2.79Å
376	P	97.1	Very high	96.2	Very high	17 Å²	17	51.6 Å²	51.6	11%	0.11	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-31.1	-174	22.5	-32.2	0	0	0	113.5	W361 N370 G371 S372	W361-P376 HydrophobicContact CE3-CB 3.66Å; W361-P376 HydrophobicContact CE3-CG 3.81Å; W361-P376 HydrophobicContact CH2-CG 4.01Å; W361-P376 HydrophobicContact CZ3-CB 3.63Å; W361-P376 HydrophobicContact CZ3-CG 3.22Å; N370-P376 HydrophobicContact CB-CB 3.93Å; N370-P376 VanDerWaalsContact CG-CB 3.42Å; N370-P376 WeakPolarHBondContact OD1-CB 3.33Å; G371-P376 PolarHBondContact N-O 3.44Å; S372-P376 VanDerWaalsContact O-CA 3.31Å; S372-P376 WeakPolarHBondContact O-CA 3.14Å
377	Y	98.2	Very high	96.5	Very high	15 Å²	15	49.4 Å²	49.4	6%	0.059	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	9.6	-178.6	-57	-69.8	0	0	0	114.4	R359 L360 W361 P362 Q375 V384 I445 W446 V448	R359-Y377 WeakPolarHBondContact CD-OH 3.33Å; R359-Y377 WeakPolarHBondContact CG-OH 3.45Å; R359-Y377 PolarHBondContact NH1-OH 2.78Å; L360-Y377 WeakPolarHBondContact O-CE1 3.15Å; L360-Y377 PolarHBondContact O-OH 3.06Å; W361-Y377 HydrophobicContact CE3-CE1 4.27Å; W361-Y377 AromaticContact CE3-CE2 3.84Å; W361-Y377 HydrophobicContact CE3-CE2 3.84Å; W361-Y377 AromaticContact CE3-CZ 3.55Å; W361-Y377 VanDerWaalsContact CE3-OH 3.3Å; W361-Y377 HydrophobicContact CZ3-CD2 4.37Å; W361-Y377 AromaticContact CZ3-CE2 3.48Å; W361-Y377 HydrophobicContact CZ3-CE2 3.48Å; W361-Y377 VanDerWaalsContact CZ3-CE2 3.48Å; W361-Y377 AromaticContact CZ3-CZ 3.69Å; P362-Y377 HydrophobicContact CG-CD1 4.27Å; P362-Y377 HydrophobicContact CG-CE1 4.41Å; Q375-Y377 VanDerWaalsContact C-N 3.29Å; Q375-Y377 PolarHBondContact O-N 2.81Å; Y377-V384 HydrophobicContact CD1-CG1 4.18Å; Y377-V384 HydrophobicContact CD1-CG2 3.86Å; Y377-V384 HydrophobicContact CE1-CG1 3.89Å; Y377-V384 HydrophobicContact CE1-CG2 4.22Å; Y377-I445 HydrophobicContact CD2-CB 4.44Å; Y377-I445 HydrophobicContact CD2-CG2 4.01Å; Y377-I445 HydrophobicContact CE2-CG2 3.8Å; Y377-W446 VanDerWaalsContact CB-O 3.28Å; Y377-W446 WeakPolarHBondContact CB-O 3.32Å; Y377-V448 PolarHBondContact O-N 3.48Å
378	V	97.9	Very high	96.6	Very high	38 Å²	38	43 Å²	43	23%	0.23	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-100	114.7	172.6	178.6	0	0	0	0	109.2	G371 Q375 V448	G371-V378 WeakPolarHBondContact CA-O 3.4Å; Q375-V378 HydrophobicContact CB-CB 3.9Å; Q375-V378 HydrophobicContact CB-CG2 3.73Å; Q375-V378 HydrophobicContact CG-CG2 4.33Å; Q375-V378 PolarHBondContact O-N 2.79Å; V378-V448 CarbonylContact C-O 3.54Å; V378-V448 HydrophobicContact CB-CB 4.47Å; V378-V448 HydrophobicContact CG1-CB 4.34Å; V378-V448 HydrophobicContact CG1-CG1 4.48Å; V378-V448 HydrophobicContact CG2-CB 4.11Å; V378-V448 HydrophobicContact CG2-CG2 4.26Å
379	N	96.9	Very high	96.7	Very high	53 Å²	53	40.6 Å²	40.6	28%	0.283	20%	0.202	S	C	.	.	S	Bend	trans	50.4	53	-170.5	-61.3	-53	0	0	0	112.9	V448 K449 E450	N379-V448 PolarHBondContact N-O 3.01Å; N379-K449 WeakPolarHBondContact OD1-CA 3.43Å; N379-E450 PolarHBondContact OD1-N 3.02Å
380	P	96.1	Very high	96.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	19%	0.189	C	C	.	.			trans	-61.9	148.5	176.8	30	-36.7	0	0	0	111	P362 V384 W457	P362-P380 HydrophobicContact CB-CB 3.71Å; P362-P380 HydrophobicContact CG-CB 3.35Å; P362-P380 HydrophobicContact CG-CG 4.46Å; P380-V384 HydrophobicContact CG-CG2 4.32Å; P380-W457 VanDerWaalsContact O-CD1 3.29Å; P380-W457 PolarHBondContact O-NE1 2.91Å
381	K	95.5	Very high	96.9	Very high	79 Å²	79	34.9 Å²	34.9	34%	0.343	18%	0.177	S	C	.	.	S	Bend	trans	-101.5	12.6	-173.8	-58.7	176.9	-173.2	173	0	113.9	Y342 Y369 W457	Y342-K381 WeakPolarHBondContact CE2-O 3.37Å; Y369-K381 HydrophobicContact CD1-CB 4.4Å; Y369-K381 PolarHBondContact O-N 2.78Å; K381-W457 VanDerWaalsContact CA-CD1 3.48Å; K381-W457 HydrophobicContact CB-CB 4.15Å; K381-W457 HydrophobicContact CB-CG 4.3Å
382	A	97.2	Very high	97.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-151.3	169.2	172.2	0	0	0	0	0	108.9	Y342 P362 V363 Y369	Y342-A382 HydrophobicContact CD2-CB 4.27Å; Y342-A382 HydrophobicContact CE2-CB 3.97Å; P362-A382 HydrophobicContact CB-CB 4.21Å; V363-A382 WeakPolarHBondContact O-CB 3.16Å; Y369-A382 HydrophobicContact CD2-CB 4.03Å; Y369-A382 HydrophobicContact CG-CB 4.11Å
383	P	97.7	Very high	97.3	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.026	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-60.8	148.3	174.2	-20	31.6	0	0	0	112.6	V346 E349 P362 V363 H385 W457	V346-P383 HydrophobicContact CB-CG 4.45Å; E349-P383 HydrophobicContact CG-CB 3.83Å; E349-P383 VanDerWaalsContact OE1-CB 3.31Å; E349-P383 WeakPolarHBondContact OE1-CB 3.27Å; E349-P383 VanDerWaalsContact OE1-CG 3.3Å; E349-P383 WeakPolarHBondContact OE1-CG 3.38Å; P362-P383 VanDerWaalsContact CA-O 3.22Å; P362-P383 WeakPolarHBondContact CA-O 3.42Å; V363-P383 PolarHBondContact N-O 3.08Å; P383-H385 PolarHBondContact O-CD2 3.13Å; P383-W457 HydrophobicContact CG-CH2 3.94Å
384	V	98.2	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.9	171.4	178.6	0	0	0	0	108.9	D347 V348 E349 P362 Y377 P380 I386 I445 V447	D347-V384 PolarHBondContact O-N 3.11Å; V348-V384 CarbonylContact C-O 3.56Å; V348-V384 WeakPolarHBondContact CA-O 3.36Å; E349-V384 PolarHBondContact N-O 2.78Å; P362-V384 HydrophobicContact CB-CG2 4.45Å; P362-V384 HydrophobicContact CG-CG2 4.16Å; Y377-V384 HydrophobicContact CD1-CG1 4.18Å; Y377-V384 HydrophobicContact CD1-CG2 3.86Å; Y377-V384 HydrophobicContact CE1-CG1 3.89Å; Y377-V384 HydrophobicContact CE1-CG2 4.22Å; P380-V384 HydrophobicContact CG-CG2 4.32Å; V384-I386 HydrophobicContact CG1-CD1 4.24Å; V384-I445 HydrophobicContact CG1-CD1 4.35Å; V384-V447 HydrophobicContact CG2-CG1 4.34Å; V384-V447 HydrophobicContact CG2-CG2 4.36Å
385	H	98.7	Very high	97.7	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.019	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	135.3	179.9	-60	-113.6	0	0	0	110.8	E349 W351 L360 V363 P383	E349-H385 WeakPolarHBondContact O-CA 3.41Å; E349-H385 IonicContact OE2-CE1 3.71Å; E349-H385 PolarHBondContact OE2-CE1 3.25Å; E349-H385 IonicContact OE2-ND1 3.62Å; E349-H385 PolarHBondContact OE2-ND1 3.5Å; E349-H385 IonicContact OE2-NE2 3.27Å; W351-H385 AromaticContact CE2-ND1 3.83Å; W351-H385 AromaticContact NE1-CG 3.8Å; W351-H385 AromaticContact NE1-ND1 3.12Å; W351-H385 PolarHBondContact NE1-ND1 2.02Å; W351-H385 VanDerWaalsContact NE1-ND1 3.12Å; L360-H385 HydrophobicContact CB-CB 4.11Å; L360-H385 HydrophobicContact CD1-CB 4Å; L360-H385 HydrophobicContact CD2-CB 4.01Å; L360-H385 HydrophobicContact CG-CB 4.26Å; L360-H385 PolarHBondContact N-O 3.3Å; L360-H385 VanDerWaalsContact N-O 3.1Å; V363-H385 WeakPolarHBondContact CG1-CD2 3.43Å; P383-H385 PolarHBondContact O-CD2 3.13Å
386	I	98.8	Very high	97.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	122.4	176.2	-54.5	-67	0	0	0	108.7	E349 L350 W351 Y357 R359 V384 L430 I445	E349-I386 PolarHBondContact O-N 2.6Å; L350-I386 HydrophobicContact CD2-CB 4.06Å; L350-I386 HydrophobicContact CD2-CG1 4.39Å; W351-I386 PolarHBondContact N-O 2.79Å; Y357-I386 HydrophobicContact CE2-CG2 3.87Å; R359-I386 HydrophobicContact CB-CD1 3.93Å; R359-I386 HydrophobicContact CG-CD1 3.69Å; V384-I386 HydrophobicContact CG1-CD1 4.24Å; I386-L430 HydrophobicContact CD1-CD1 4.47Å; I386-L430 HydrophobicContact CD1-CD2 4.3Å; I386-L430 HydrophobicContact CG1-CD1 3.95Å; I386-L430 HydrophobicContact CG2-CD1 4.3Å; I386-L430 HydrophobicContact CG2-CD2 4.36Å; I386-I445 HydrophobicContact CD1-CD1 4.13Å
387	I	98.9	Very high	97.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.8	170.6	-52.8	-178.8	0	0	0	108	P305 Y307 C308 W351 E354 Y357 E358 L360	P305-I387 HydrophobicContact CB-CD1 4Å; P305-I387 HydrophobicContact CB-CG1 4.19Å; P305-I387 HydrophobicContact CG-CD1 4.05Å; Y307-I387 WeakPolarHBondContact O-CD1 3.39Å; C308-I387 HydrophobicContact CB-CD1 3.88Å; W351-I387 HydrophobicContact CB-CG1 4.21Å; E354-I387 HydrophobicContact CB-CG2 3.92Å; E354-I387 HydrophobicContact CG-CD1 4.49Å; Y357-I387 WeakPolarHBondContact CA-O 3.43Å; Y357-I387 WeakPolarHBondContact CD2-O 3.4Å; E358-I387 HydrophobicContact CB-CB 4.18Å; E358-I387 HydrophobicContact CB-CD1 4.06Å; E358-I387 HydrophobicContact CB-CG1 4.34Å; E358-I387 PolarHBondContact N-O 3.47Å; E358-I387 VanDerWaalsContact N-O 3.12Å; E358-I387 PolarHBondContact O-N 2.93Å; L360-I387 HydrophobicContact CD1-CD1 4.45Å; L360-I387 HydrophobicContact CD1-CG1 4.34Å
388	T	98.6	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	48	-179.3	-177.5	0	0	0	0	112.1	L153 Y154 G155 I183 W351 S390 S418	L153-T388 HydrophobicContact CB-CG2 4.25Å; L153-T388 PolarHBondContact O-OG1 2.94Å; Y154-T388 WeakPolarHBondContact CA-O 3.39Å; G155-T388 PolarHBondContact N-O 3.49Å; I183-T388 HydrophobicContact CD1-CG2 4.04Å; W351-T388 PolarHBondContact O-N 3.08Å; T388-S390 VanDerWaalsContact C-N 3.35Å; T388-S390 PolarHBondContact O-N 3.5Å; T388-S418 PolarHBondContact OG1-N 3.22Å
389	G	98.4	Very high	97.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	16%	0.161	C	C	.	.			trans	-90.1	18.1	-176.9	0	0	0	0	0	115.3	D156 E354 H355 T356	D156-G389 WeakPolarHBondContact CB-O 3.35Å; D156-G389 WeakPolarHBondContact OD2-CA 3.22Å; E354-G389 CarbonylContact O-C 3.58Å; E354-G389 VanDerWaalsContact O-CA 3.26Å; E354-G389 WeakPolarHBondContact O-CA 3.02Å; H355-G389 VanDerWaalsContact CA-O 3.31Å; H355-G389 WeakPolarHBondContact CA-O 3.41Å; T356-G389 PolarHBondContact O-N 3.19Å
390	S	97.9	Very high	97.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.007	16%	0.155	C	C	.	.			trans	-102.3	29.8	-174.2	41.3	0	0	0	0	113.7	T356 T388 G392 Y415 G416	T356-S390 VanDerWaalsContact C-OG 3.27Å; T356-S390 PolarHBondContact O-OG 3.31Å; T356-S390 VanDerWaalsContact O-OG 3.1Å; T388-S390 VanDerWaalsContact C-N 3.35Å; T388-S390 PolarHBondContact O-N 3.5Å; S390-G392 PolarHBondContact O-N 2.87Å; S390-Y415 CarbonylContact O-C 3.39Å; S390-Y415 VanDerWaalsContact O-CA 3.29Å; S390-Y415 WeakPolarHBondContact O-CA 3.29Å; S390-Y415 WeakPolarHBondContact O-CD1 3.3Å; S390-G416 CarbonylContact C-O 3.57Å; S390-G416 PolarHBondContact O-N 2.98Å
391	A	98.6	Very high	97.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-71.2	-22.4	-179	0	0	0	0	0	114	Y154 G155 L157 Q163 S164 G416	Y154-A391 HydrophobicContact CD2-CB 4.01Å; Y154-A391 HydrophobicContact CG-CB 4.27Å; G155-A391 WeakPolarHBondContact O-CB 3.31Å; L157-A391 HydrophobicContact CB-CB 4.08Å; L157-A391 HydrophobicContact CD1-CB 3.97Å; Q163-A391 PolarHBondContact N-O 3.07Å; S164-A391 WeakPolarHBondContact CB-O 3.24Å; S164-A391 PolarHBondContact N-O 3.4Å; S164-A391 WeakPolarHBondContact OG-CA 3.01Å; S164-A391 PolarHBondContact OG-O 2.88Å; A391-G416 VanDerWaalsContact CA-O 3.31Å; A391-G416 WeakPolarHBondContact CA-O 2.97Å; A391-G416 PolarHBondContact N-O 2.9Å
392	G	98.1	Very high	97.5	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.021	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	113.8	125.4	170.7	0	0	0	0	0	112.5	D156 L157 G158 N161 S390	D156-G392 CarbonylContact O-C 3.54Å; D156-G392 VanDerWaalsContact O-C 3.24Å; D156-G392 PolarHBondContact O-N 3.3Å; D156-G392 VanDerWaalsContact O-O 3.12Å; L157-G392 CarbonylContact C-O 3.54Å; L157-G392 WeakPolarHBondContact CA-O 3.29Å; G158-G392 PolarHBondContact N-O 3.43Å; N161-G392 CarbonylContact O-C 3.29Å; N161-G392 VanDerWaalsContact O-CA 3.31Å; N161-G392 WeakPolarHBondContact O-CA 3.48Å; S390-G392 PolarHBondContact O-N 2.87Å
393	C	98	Very high	97.3	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.007	22%	0.217	C	C	.	.			trans	-143.7	175.7	178.7	65.4	0	0	0	0	109.9	E160 N161 Y188 H355 E395 R396	E160-C393 CarbonylContact O-C 3.54Å; E160-C393 WeakPolarHBondContact O-CA 3.21Å; N161-C393 WeakPolarHBondContact CB-O 3.38Å; N161-C393 PolarHBondContact ND2-O 3Å; Y188-C393 HydrophobicContact CD1-CB 4.11Å; Y188-C393 HydrophobicContact CD2-CB 3.57Å; Y188-C393 HydrophobicContact CE1-CB 3.9Å; Y188-C393 HydrophobicContact CE2-CB 3.31Å; Y188-C393 HydrophobicContact CG-CB 3.96Å; Y188-C393 VanDerWaalsContact CZ-CB 3.48Å; H355-C393 VanDerWaalsContact CE1-SG 3.59Å; H355-C393 PolarHBondContact NE2-SG 3.41Å; C393-E395 PolarHBondContact O-N 2.63Å; C393-R396 PolarHBondContact O-N 3.41Å
394	R	97.7	Very high	97.2	Very high	85 Å²	85	48.6 Å²	48.6	32%	0.321	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.3	178	66.9	-175.5	-178.3	-174.9	-6	113.9	E160 Y188 D189 E192	E160-R394 HydrophobicContact CB-CB 4.06Å; E160-R394 PolarHBondContact O-N 3.33Å; Y188-R394 PolarHBondContact O-NE 3.44Å; Y188-R394 PolarHBondContact O-NH1 3.31Å; Y188-R394 PolarHBondContact O-NH2 2.71Å; D189-R394 IonicContact OD1-NH2 2.86Å; D189-R394 PolarHBondContact OD1-NH2 3.28Å; E192-R394 VanDerWaalsContact CD-NH1 3.31Å; E192-R394 IonicContact OE1-CZ 2.83Å; E192-R394 VanDerWaalsContact OE1-CZ 3.32Å; E192-R394 IonicContact OE1-NH1 2.64Å; E192-R394 PolarHBondContact OE1-NH1 2.97Å; E192-R394 IonicContact OE1-NH2 2.88Å; E192-R394 PolarHBondContact OE1-NH2 3.12Å; E192-R394 IonicContact OE2-CZ 3.21Å; E192-R394 IonicContact OE2-NH1 2.83Å; E192-R394 PolarHBondContact OE2-NH1 2.65Å; E192-R394 IonicContact OE2-NH2 2.98Å
395	E	97.4	Very high	97	Very high	96 Å²	96	54 Å²	54	45%	0.449	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-15.7	-176.4	-52.8	-166.2	164.3	0	0	113	Y188 H221 H355 C393	Y188-E395 HydrophobicContact CD1-CG 4.09Å; Y188-E395 HydrophobicContact CE1-CG 4.3Å; H221-E395 IonicContact CE1-OE1 3.48Å; H221-E395 PolarHBondContact CE1-OE1 3.07Å; H221-E395 VanDerWaalsContact CE1-OE1 3.26Å; H221-E395 IonicContact NE2-OE1 3Å; H221-E395 IonicContact NE2-OE2 3.08Å; H355-E395 IonicContact CE1-OE2 3.28Å; C393-E395 PolarHBondContact O-N 2.63Å
396	R	97.5	Very high	96.8	Very high	172 Å²	172	62.1 Å²	62.1	65%	0.649	29%	0.292	S	S	*	.			trans	67	-172	179.4	-49.7	180	178.2	-173.7	-2.1	112.7	H355 C393 Y415	H355-R396 WeakPolarHBondContact CB-O 3.38Å; H355-R396 VanDerWaalsContact CG-O 3.3Å; H355-R396 PolarHBondContact ND1-O 2.67Å; C393-R396 PolarHBondContact O-N 3.41Å; R396-Y415 WeakPolarHBondContact CA-OH 3.35Å; R396-Y415 VanDerWaalsContact CB-OH 3.25Å; R396-Y415 WeakPolarHBondContact CB-OH 3.42Å
397	T	97.3	Very high	96.7	Very high	45 Å²	45	62.6 Å²	62.6	28%	0.276	29%	0.294	S	S	.	.			trans	-81.5	147.9	-176.6	57.8	0	0	0	0	112.6	H355 T413 Y415	H355-T397 VanDerWaalsContact O-CA 3.22Å; H355-T397 WeakPolarHBondContact O-CA 3.44Å; H355-T397 VanDerWaalsContact O-CB 3.31Å; H355-T397 WeakPolarHBondContact O-CB 3.44Å; T397-T413 WeakPolarHBondContact CG2-O 3.14Å; T397-Y415 HydrophobicContact CG2-CD1 3.7Å; T397-Y415 HydrophobicContact CG2-CD2 4.33Å; T397-Y415 HydrophobicContact CG2-CE1 3.43Å; T397-Y415 VanDerWaalsContact CG2-CE1 3.43Å; T397-Y415 HydrophobicContact CG2-CE2 4.12Å; T397-Y415 HydrophobicContact CG2-CG 4.15Å
398	D	95.7	Very high	96.6	Very high	40 Å²	40	63.4 Å²	63.4	21%	0.214	30%	0.3	C	S	.	.			trans	-80.6	178.7	174.1	-60.8	-51.8	0	0	0	112.7	H355 T356 T413	H355-D398 WeakPolarHBondContact CA-OD2 3.44Å; H355-D398 WeakPolarHBondContact CB-OD2 3.43Å; H355-D398 IonicContact CG-OD2 2.73Å; H355-D398 PolarHBondContact N-OD2 3.3Å; H355-D398 IonicContact ND1-OD2 3.66Å; H355-D398 PolarHBondContact O-N 2.73Å; T356-D398 HydrophobicContact CG2-CB 3.99Å; D398-T413 WeakPolarHBondContact O-CG2 3.42Å
399	R	96	Very high	96.6	Very high	202 Å²	202	64.8 Å²	64.8	76%	0.762	31%	0.311	S	S	*	.			trans	-118.6	142.4	178.1	-64.9	-178.4	-176.5	175.6	3.9	109.1	D310 D311	D310-R399 CarbonylContact C-O 3.12Å; D310-R399 WeakPolarHBondContact CA-O 3.47Å; D311-R399 WeakPolarHBondContact CB-O 3.25Å; D311-R399 PolarHBondContact N-O 3.06Å
400	F	97.6	Very high	96.6	Very high	35 Å²	35	67.8 Å²	67.8	15%	0.154	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-82.5	145.5	175	-71.9	-63.5	0	0	0	113.8	S309 D310 T356 E358 R411 T413	S309-F400 WeakPolarHBondContact OG-CD1 3.47Å; D310-F400 WeakPolarHBondContact OD1-CE1 3.32Å; T356-F400 HydrophobicContact CG2-CE1 4.25Å; T356-F400 HydrophobicContact CG2-CE2 3.91Å; T356-F400 HydrophobicContact CG2-CZ 3.75Å; T356-F400 VanDerWaalsContact OG1-CZ 3.29Å; T356-F400 WeakPolarHBondContact OG1-CZ 3.45Å; E358-F400 HydrophobicContact CB-CE1 4.29Å; E358-F400 HydrophobicContact CB-CZ 4.39Å; F400-R411 HydrophobicContact CD1-CB 4.41Å; F400-R411 HydrophobicContact CD1-CG 4.28Å; F400-R411 HydrophobicContact CD2-CB 3.88Å; F400-R411 HydrophobicContact CE1-CB 4.13Å; F400-R411 HydrophobicContact CE1-CG 4.03Å; F400-R411 HydrophobicContact CE2-CB 3.58Å; F400-R411 HydrophobicContact CE2-CG 4.37Å; F400-R411 HydrophobicContact CG-CB 4.27Å; F400-R411 HydrophobicContact CZ-CB 3.68Å; F400-R411 HydrophobicContact CZ-CG 4.05Å; F400-T413 HydrophobicContact CD2-CG2 3.66Å; F400-T413 HydrophobicContact CE2-CG2 3.73Å
401	N	94.3	Very high	96.6	Very high	59 Å²	59	71.3 Å²	71.3	32%	0.316	34%	0.338	S	S	.	.			trans	-59.9	128.8	164.2	-176.1	-29.7	0	0	0	109.2	S309 D311 N403 R411	S309-N401 VanDerWaalsContact O-CB 3.24Å; S309-N401 WeakPolarHBondContact O-CB 3.22Å; S309-N401 PolarHBondContact O-N 3.1Å; D311-N401 HydrophobicContact CB-CB 4.4Å; N401-N403 PolarHBondContact O-N 3.34Å; N401-N403 VanDerWaalsContact O-N 3.15Å; N401-N403 PolarHBondContact OD1-N 3.11Å; N401-R411 PolarHBondContact O-NH1 3.05Å; N401-R411 PolarHBondContact O-NH2 2.91Å
402	P	94.3	Very high	96.6	Very high	97 Å²	97	72 Å²	72	63%	0.63	34%	0.342	S	S	*	.	S	Bend	trans	-63.3	-21.2	-179.5	24.6	-34.6	0	0	0	113.7	P404	P402-P404 WeakPolarHBondContact O-CD 3.38Å
403	N	94.3	Very high	96.6	Very high	132 Å²	132	74.7 Å²	74.7	71%	0.706	36%	0.359	S	S	*	.	S	Bend	trans	-120.7	75.5	179.7	-55.8	-67.8	0	0	0	110.2	N401	N401-N403 PolarHBondContact O-N 3.34Å; N401-N403 VanDerWaalsContact O-N 3.15Å; N401-N403 PolarHBondContact OD1-N 3.11Å
404	P	94.4	Very high	96.6	Very high	49 Å²	49	76.2 Å²	76.2	32%	0.318	37%	0.366	S	S	.	.			trans	-66	162.3	178.9	29.7	-35.6	0	0	0	111.7	P402	P402-P404 WeakPolarHBondContact O-CD 3.38Å
405	K	94.3	Very high	96.7	Very high	112 Å²	112	73.5 Å²	73.5	49%	0.487	36%	0.356	S	S	.	.			trans	-64.8	159	167.6	-68.1	-70.6	-166	131.3	0	111.2	D366 W407 S408	D366-K405 IonicContact OD2-NZ 3.52Å; D366-K405 PolarHBondContact OD2-NZ 3.16Å; K405-W407 HydrophobicContact CB-CD2 3.99Å; K405-W407 VanDerWaalsContact CB-CE2 3.44Å; K405-W407 HydrophobicContact CB-CG 4.18Å; K405-W407 HydrophobicContact CB-CZ2 3.87Å; K405-W407 VanDerWaalsContact CB-NE1 3.27Å; K405-W407 HydrophobicContact CG-CZ2 4.07Å; K405-W407 PolarHBondContact O-N 2.97Å; K405-W407 VanDerWaalsContact O-N 3.09Å; K405-S408 WeakPolarHBondContact O-CB 3.13Å; K405-S408 PolarHBondContact O-N 3.01Å; K405-S408 VanDerWaalsContact O-N 3.08Å
406	E	95	Very high	96.8	Very high	176 Å²	176	68.9 Å²	68.9	82%	0.822	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.2	-175.8	-64.9	-172.4	166.3	0	0	114.1	S408	E406-S408 VanDerWaalsContact C-N 3.31Å
407	W	96.3	Very high	96.8	Very high	10 Å²	10	60.7 Å²	60.7	4%	0.038	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-12.3	178.8	50.5	-110.5	0	0	0	113.8	Y307 C308 L360 W361 V363 D366 V368 K405 A409	Y307-W407 HydrophobicContact CD1-CD2 4.47Å; Y307-W407 AromaticContact CD1-CE2 3.82Å; Y307-W407 AromaticContact CD1-CZ2 3.92Å; Y307-W407 HydrophobicContact CD1-CZ2 3.92Å; Y307-W407 AromaticContact CD1-NE1 3.87Å; Y307-W407 HydrophobicContact CG-CZ2 4.41Å; C308-W407 VanDerWaalsContact C-CH2 3.45Å; C308-W407 WeakPolarHBondContact O-CH2 3.47Å; L360-W407 CarbonylContact C-O 3.59Å; L360-W407 VanDerWaalsContact CA-O 3.3Å; L360-W407 WeakPolarHBondContact CA-O 3.38Å; L360-W407 HydrophobicContact CB-CE3 4.4Å; L360-W407 HydrophobicContact CD1-CZ3 4.43Å; L360-W407 HydrophobicContact CD2-CD2 3.99Å; L360-W407 HydrophobicContact CD2-CE3 3.19Å; L360-W407 HydrophobicContact CD2-CH2 4.33Å; L360-W407 HydrophobicContact CD2-CZ3 3.4Å; L360-W407 VanDerWaalsContact CD2-CZ3 3.4Å; L360-W407 HydrophobicContact CG-CE3 3.53Å; L360-W407 HydrophobicContact CG-CZ3 3.74Å; W361-W407 PolarHBondContact N-O 2.82Å; V363-W407 HydrophobicContact CB-CB 4.09Å; V363-W407 HydrophobicContact CG2-CB 3.84Å; V363-W407 HydrophobicContact CG2-CG 4.01Å; D366-W407 VanDerWaalsContact OD1-CD1 3.26Å; D366-W407 PolarHBondContact OD1-NE1 2.89Å; V368-W407 HydrophobicContact CG2-CB 3.78Å; K405-W407 HydrophobicContact CB-CD2 3.99Å; K405-W407 VanDerWaalsContact CB-CE2 3.44Å; K405-W407 HydrophobicContact CB-CG 4.18Å; K405-W407 HydrophobicContact CB-CZ2 3.87Å; K405-W407 VanDerWaalsContact CB-NE1 3.27Å; K405-W407 HydrophobicContact CG-CZ2 4.07Å; K405-W407 PolarHBondContact O-N 2.97Å; K405-W407 VanDerWaalsContact O-N 3.09Å; W407-A409 PolarHBondContact O-N 2.81Å
408	S	97.8	Very high	96.9	Very high	18 Å²	18	58.6 Å²	58.6	13%	0.126	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	119.7	175.6	-175.7	0	0	0	0	110.2	E358 K405 E406 R411	E358-S408 WeakPolarHBondContact OE1-CB 3.21Å; E358-S408 PolarHBondContact OE1-OG 3.37Å; K405-S408 WeakPolarHBondContact O-CB 3.13Å; K405-S408 PolarHBondContact O-N 3.01Å; K405-S408 VanDerWaalsContact O-N 3.08Å; E406-S408 VanDerWaalsContact C-N 3.31Å; S408-R411 VanDerWaalsContact OG-CD 3.27Å; S408-R411 WeakPolarHBondContact OG-CD 3.23Å; S408-R411 WeakPolarHBondContact OG-CG 3.29Å
409	A	97.8	Very high	97	Very high	29 Å²	29	58.5 Å²	58.5	24%	0.24	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-43.3	-173.6	0	0	0	0	0	113.1	R359 W361 W407	R359-A409 WeakPolarHBondContact O-CA 3.48Å; R359-A409 VanDerWaalsContact O-CB 3.24Å; R359-A409 WeakPolarHBondContact O-CB 3.33Å; R359-A409 PolarHBondContact O-N 2.89Å; W361-A409 HydrophobicContact CD2-CB 3.47Å; W361-A409 VanDerWaalsContact CD2-CB 3.47Å; W361-A409 HydrophobicContact CE3-CB 3.84Å; W361-A409 HydrophobicContact CG-CB 3.9Å; W361-A409 HydrophobicContact CH2-CB 4.02Å; W361-A409 HydrophobicContact CZ2-CB 3.67Å; W361-A409 HydrophobicContact CZ3-CB 4.07Å; W407-A409 PolarHBondContact O-N 2.81Å
410	F	98.6	Very high	97.2	Very high	62 Å²	62	49 Å²	49	27%	0.272	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	143.2	177.2	-177.6	-81.3	0	0	0	110	Y357 E358 R359 I442 D443	Y357-F410 AromaticContact CD1-CD1 3.81Å; Y357-F410 HydrophobicContact CD1-CD1 3.81Å; Y357-F410 AromaticContact CD1-CE1 3.96Å; Y357-F410 HydrophobicContact CD1-CE1 3.96Å; Y357-F410 AromaticContact CE1-CD1 3.59Å; Y357-F410 HydrophobicContact CE1-CD1 3.59Å; Y357-F410 AromaticContact CE1-CE1 3.99Å; Y357-F410 HydrophobicContact CE1-CE1 3.99Å; E358-F410 WeakPolarHBondContact CA-O 2.98Å; R359-F410 HydrophobicContact CB-CB 4.37Å; R359-F410 PolarHBondContact N-O 3Å; R359-F410 PolarHBondContact O-N 3.03Å; F410-I442 HydrophobicContact CE1-CD1 4.38Å; F410-I442 WeakPolarHBondContact CZ-O 3.48Å; F410-D443 HydrophobicContact CD1-CB 3.8Å; F410-D443 HydrophobicContact CD2-CB 4.39Å; F410-D443 HydrophobicContact CE1-CB 3.71Å; F410-D443 HydrophobicContact CE2-CB 4.29Å; F410-D443 HydrophobicContact CG-CB 4.16Å; F410-D443 HydrophobicContact CZ-CB 3.96Å
411	R	98.4	Very high	97.2	Very high	76 Å²	76	50.6 Å²	50.6	29%	0.287	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	138.2	-173.8	-63.9	-171.8	-57.3	174.9	4.4	110.9	S309 Y357 E358 F400 N401 S408	S309-R411 WeakPolarHBondContact OG-CD 3.29Å; S309-R411 PolarHBondContact OG-NH1 3.37Å; Y357-R411 CarbonylContact O-C 3.56Å; Y357-R411 WeakPolarHBondContact O-CA 3.49Å; E358-R411 HydrophobicContact CG-CG 4.01Å; F400-R411 HydrophobicContact CD1-CB 4.41Å; F400-R411 HydrophobicContact CD1-CG 4.28Å; F400-R411 HydrophobicContact CD2-CB 3.88Å; F400-R411 HydrophobicContact CE1-CB 4.13Å; F400-R411 HydrophobicContact CE1-CG 4.03Å; F400-R411 HydrophobicContact CE2-CB 3.58Å; F400-R411 HydrophobicContact CE2-CG 4.37Å; F400-R411 HydrophobicContact CG-CB 4.27Å; F400-R411 HydrophobicContact CZ-CB 3.68Å; F400-R411 HydrophobicContact CZ-CG 4.05Å; N401-R411 PolarHBondContact O-NH1 3.05Å; N401-R411 PolarHBondContact O-NH2 2.91Å; S408-R411 VanDerWaalsContact OG-CD 3.27Å; S408-R411 WeakPolarHBondContact OG-CD 3.23Å; S408-R411 WeakPolarHBondContact OG-CG 3.29Å
412	S	98.5	Very high	97.5	Very high	13 Å²	13	47.8 Å²	47.8	9%	0.091	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	133.9	175.1	176.6	0	0	0	0	110.9	Y357 D414 I442	Y357-S412 PolarHBondContact N-O 3.07Å; Y357-S412 PolarHBondContact O-N 3Å; S412-D414 WeakPolarHBondContact OG-CB 3.16Å; S412-D414 PolarHBondContact OG-N 3.04Å; S412-D414 VanDerWaalsContact OG-N 3.16Å; S412-I442 WeakPolarHBondContact OG-CD1 3.36Å
413	T	98	Very high	97.7	Very high	60 Å²	60	45.1 Å²	45.1	37%	0.368	23%	0.227	S	C	.	.			trans	-94.4	3.4	172.2	59.6	0	0	0	0	112	T356 T397 D398 F400	T356-T413 HydrophobicContact CG2-CG2 4.18Å; T397-T413 WeakPolarHBondContact CG2-O 3.14Å; D398-T413 WeakPolarHBondContact O-CG2 3.42Å; F400-T413 HydrophobicContact CD2-CG2 3.66Å; F400-T413 HydrophobicContact CE2-CG2 3.73Å
414	D	98.5	Very high	97.8	Very high	32 Å²	32	41.8 Å²	41.8	17%	0.171	21%	0.209	C	C	.	.	S	Bend	trans	-62.7	141.2	175.7	-70.2	12.3	0	0	0	110.1	S412 S434 D436 Q437	S412-D414 WeakPolarHBondContact OG-CB 3.16Å; S412-D414 PolarHBondContact OG-N 3.04Å; S412-D414 VanDerWaalsContact OG-N 3.16Å; D414-S434 WeakPolarHBondContact CB-OG 3.25Å; D414-S434 WeakPolarHBondContact OD2-CB 3.41Å; D414-S434 PolarHBondContact OD2-OG 2.94Å; D414-D436 VanDerWaalsContact CA-OD2 3.26Å; D414-D436 WeakPolarHBondContact CA-OD2 3.39Å; D414-D436 HydrophobicContact CB-CB 4.16Å; D414-Q437 PolarHBondContact OD2-NE2 3.16Å
415	Y	98.8	Very high	98	Very high	28 Å²	28	42.7 Å²	42.7	11%	0.11	21%	0.214	C	C	.	.	S	Bend	trans	-61.2	144.3	163.6	-68.2	-70.6	0	0	0	110.6	N161 Q163 S390 R396 T397 D435 D436	N161-Y415 PolarHBondContact ND2-OH 3.28Å; N161-Y415 VanDerWaalsContact ND2-OH 3.07Å; Q163-Y415 HydrophobicContact CB-CD1 4.02Å; Q163-Y415 HydrophobicContact CB-CD2 4.23Å; Q163-Y415 HydrophobicContact CB-CG 3.74Å; Q163-Y415 HydrophobicContact CG-CD1 3.87Å; Q163-Y415 HydrophobicContact CG-CD2 3.67Å; Q163-Y415 HydrophobicContact CG-CE1 4.14Å; Q163-Y415 HydrophobicContact CG-CE2 3.93Å; Q163-Y415 HydrophobicContact CG-CG 3.62Å; S390-Y415 CarbonylContact O-C 3.39Å; S390-Y415 VanDerWaalsContact O-CA 3.29Å; S390-Y415 WeakPolarHBondContact O-CA 3.29Å; S390-Y415 WeakPolarHBondContact O-CD1 3.3Å; R396-Y415 WeakPolarHBondContact CA-OH 3.35Å; R396-Y415 VanDerWaalsContact CB-OH 3.25Å; R396-Y415 WeakPolarHBondContact CB-OH 3.42Å; T397-Y415 HydrophobicContact CG2-CD1 3.7Å; T397-Y415 HydrophobicContact CG2-CD2 4.33Å; T397-Y415 HydrophobicContact CG2-CE1 3.43Å; T397-Y415 VanDerWaalsContact CG2-CE1 3.43Å; T397-Y415 HydrophobicContact CG2-CE2 4.12Å; T397-Y415 HydrophobicContact CG2-CG 4.15Å; Y415-D435 PolarHBondContact O-N 3.39Å; Y415-D436 PolarHBondContact N-OD2 3.25Å
416	G	98.6	Very high	98.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.8	-162.8	-177.9	0	0	0	0	0	114.4	S164 S390 A391 V433	S164-G416 VanDerWaalsContact OG-C 3.29Å; S164-G416 WeakPolarHBondContact OG-CA 3.46Å; S164-G416 PolarHBondContact OG-O 3.27Å; S390-G416 CarbonylContact C-O 3.57Å; S390-G416 PolarHBondContact O-N 2.98Å; A391-G416 VanDerWaalsContact CA-O 3.31Å; A391-G416 WeakPolarHBondContact CA-O 2.97Å; A391-G416 PolarHBondContact N-O 2.9Å; G416-V433 WeakPolarHBondContact CA-O 3.28Å
417	Y	98.9	Very high	98.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	162.2	177.7	60.6	-81.8	0	0	0	109.7	R167 L168 E171 Y177 R419 Q432 V433	R167-Y417 HydrophobicContact CB-CE1 4.17Å; R167-Y417 WeakPolarHBondContact CD-OH 3.45Å; R167-Y417 HydrophobicContact CG-CE1 4.19Å; R167-Y417 WeakPolarHBondContact CG-OH 3.31Å; L168-Y417 HydrophobicContact CD2-CD1 4.16Å; L168-Y417 HydrophobicContact CD2-CD2 3.65Å; L168-Y417 HydrophobicContact CD2-CE1 4.2Å; L168-Y417 HydrophobicContact CD2-CE2 3.69Å; L168-Y417 HydrophobicContact CD2-CG 3.89Å; L168-Y417 HydrophobicContact CG-CD1 4.16Å; L168-Y417 HydrophobicContact CG-CE1 4.15Å; L168-Y417 HydrophobicContact CG-CG 4.34Å; E171-Y417 PolarHBondContact OE1-OH 3.49Å; E171-Y417 PolarHBondContact OE2-OH 3.21Å; Y177-Y417 WeakPolarHBondContact OH-CE2 3.31Å; Y417-R419 HydrophobicContact CD2-CG 4.45Å; Y417-R419 HydrophobicContact CE2-CG 4.01Å; Y417-Q432 PolarHBondContact O-OE1 3.05Å; Y417-V433 HydrophobicContact CE1-CB 4.26Å; Y417-V433 HydrophobicContact CE1-CG1 4.18Å; Y417-V433 HydrophobicContact CE2-CB 4.45Å; Y417-V433 HydrophobicContact CE2-CG2 4.3Å; Y417-V433 PolarHBondContact N-O 3.35Å; Y417-V433 VanDerWaalsContact N-O 3.17Å; Y417-V433 PolarHBondContact O-N 3.34Å
418	S	98.9	Very high	98.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	147.1	178.1	-83	0	0	0	0	111.8	L153 Y357 T388 E431 Q432	L153-S418 PolarHBondContact N-O 2.95Å; L153-S418 PolarHBondContact O-N 2.86Å; Y357-S418 WeakPolarHBondContact CE2-OG 3.09Å; T388-S418 PolarHBondContact OG1-N 3.22Å; S418-E431 CarbonylContact C-O 3.52Å; S418-E431 VanDerWaalsContact CA-O 3.26Å; S418-E431 WeakPolarHBondContact CA-O 3.5Å; S418-Q432 PolarHBondContact OG-OE1 3.36Å
419	R	98.9	Very high	98.6	Very high	38 Å²	38	35.1 Å²	35.1	14%	0.143	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.6	164.3	-55.3	-173.1	-170.2	120.2	3.2	109.1	F151 E171 Y177 Y417 L430 E431 V433	F151-R419 WeakPolarHBondContact O-CA 3.4Å; E171-R419 IonicContact OE1-CZ 3.81Å; E171-R419 IonicContact OE1-NH2 3.53Å; E171-R419 PolarHBondContact OE1-NH2 2.59Å; E171-R419 IonicContact OE2-CZ 3.51Å; E171-R419 IonicContact OE2-NE 2.92Å; E171-R419 PolarHBondContact OE2-NE 2.86Å; E171-R419 IonicContact OE2-NH2 3.92Å; E171-R419 PolarHBondContact OE2-NH2 2.79Å; Y177-R419 HydrophobicContact CE1-CG 4Å; Y177-R419 WeakPolarHBondContact OH-CD 3.35Å; Y177-R419 PolarHBondContact OH-NE 3.47Å; Y417-R419 HydrophobicContact CD2-CG 4.45Å; Y417-R419 HydrophobicContact CE2-CG 4.01Å; R419-L430 CarbonylContact O-C 3.46Å; R419-L430 VanDerWaalsContact O-CA 3.31Å; R419-L430 WeakPolarHBondContact O-CA 3.43Å; R419-E431 HydrophobicContact CB-CG 3.88Å; R419-E431 WeakPolarHBondContact CD-OE1 3.42Å; R419-E431 HydrophobicContact CG-CG 4.48Å; R419-E431 IonicContact CZ-OE1 2.67Å; R419-E431 PolarHBondContact N-O 2.79Å; R419-E431 IonicContact NH1-OE1 3.24Å; R419-E431 PolarHBondContact NH1-OE1 3.16Å; R419-E431 PolarHBondContact O-N 2.98Å; R419-V433 HydrophobicContact CG-CG2 4.12Å; R419-V433 VanDerWaalsContact CZ-CG2 3.41Å
420	M	98.9	Very high	98.6	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.02	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.3	177.5	179.8	-179.2	70	0	0	110.5	R150 F151 L153 I299 V422 I428 Y429 L430	R150-M420 CarbonylContact C-O 3.49Å; R150-M420 WeakPolarHBondContact CA-O 3.14Å; F151-M420 HydrophobicContact CB-CB 4.36Å; F151-M420 HydrophobicContact CB-CE 4.32Å; F151-M420 HydrophobicContact CD2-CE 3.54Å; F151-M420 HydrophobicContact CE2-CE 3.9Å; F151-M420 HydrophobicContact CG-CE 3.89Å; F151-M420 PolarHBondContact N-O 2.89Å; F151-M420 PolarHBondContact O-N 3.02Å; L153-M420 HydrophobicContact CD1-CB 3.6Å; L153-M420 HydrophobicContact CD1-CE 4.32Å; L153-M420 HydrophobicContact CD1-CG 4.45Å; L153-M420 HydrophobicContact CD1-SD 4.16Å; L153-M420 HydrophobicContact CD2-CE 4.34Å; L153-M420 HydrophobicContact CG-CB 4.19Å; I299-M420 HydrophobicContact CD1-CE 3.96Å; I299-M420 HydrophobicContact CD1-SD 4.22Å; M420-V422 HydrophobicContact CE-CG2 4.45Å; M420-I428 HydrophobicContact CG-CG2 3.74Å; M420-I428 HydrophobicContact SD-CG2 4.03Å; M420-Y429 CarbonylContact C-O 3.56Å; M420-Y429 WeakPolarHBondContact CA-O 3.45Å; M420-L430 HydrophobicContact CB-CD1 4.44Å
421	Q	98.9	Very high	98.6	Very high	67 Å²	67	32.2 Å²	32.2	31%	0.313	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.1	168.5	-174.1	174.6	4.3	0	0	109.4	S148 P149 R150 V423 I428 Y429	S148-Q421 WeakPolarHBondContact OG-CG 3.25Å; S148-Q421 PolarHBondContact OG-NE2 3.06Å; P149-Q421 WeakPolarHBondContact O-CA 3.49Å; R150-Q421 HydrophobicContact CG-CB 4.36Å; R150-Q421 HydrophobicContact CG-CG 3.93Å; Q421-V423 HydrophobicContact CB-CG2 4.34Å; Q421-V423 HydrophobicContact CG-CG2 4Å; Q421-V423 PolarHBondContact O-N 3.3Å; Q421-I428 WeakPolarHBondContact O-CA 3.42Å; Q421-Y429 PolarHBondContact N-O 3.42Å; Q421-Y429 PolarHBondContact O-N 3.39Å
422	V	98.8	Very high	98.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	101	166.3	-177.8	0	0	0	0	105.9	S148 P149 F151 S251 A252 W297 I299 M420 I428	S148-V422 CarbonylContact C-O 3.52Å; S148-V422 WeakPolarHBondContact CA-O 3.29Å; S148-V422 WeakPolarHBondContact CB-O 3.49Å; S148-V422 PolarHBondContact OG-O 2.79Å; P149-V422 HydrophobicContact CG-CB 4.02Å; P149-V422 HydrophobicContact CG-CG2 4.45Å; P149-V422 PolarHBondContact O-N 3.01Å; P149-V422 VanDerWaalsContact O-N 3.09Å; F151-V422 HydrophobicContact CE2-CG2 3.94Å; S251-V422 VanDerWaalsContact OG-CG1 3.25Å; S251-V422 WeakPolarHBondContact OG-CG1 3.33Å; A252-V422 HydrophobicContact CB-CG1 4.36Å; A252-V422 HydrophobicContact CB-CG2 4.17Å; W297-V422 HydrophobicContact CG-CG1 4.39Å; I299-V422 HydrophobicContact CD1-CG2 4.03Å; M420-V422 HydrophobicContact CE-CG2 4.45Å; V422-I428 HydrophobicContact CB-CG1 4.47Å; V422-I428 HydrophobicContact CG1-CG1 4.34Å; V422-I428 HydrophobicContact CG2-CD1 4.29Å; V422-I428 HydrophobicContact CG2-CG1 4.18Å
423	V	98.6	Very high	98.7	Very high	42 Å²	42	28 Å²	28	26%	0.255	14%	0.144	S	C	.	.			trans	-75.9	-44.6	-169.1	178.6	0	0	0	0	111	S148 Q421 H427 W446	S148-V423 VanDerWaalsContact OG-CA 3.31Å; S148-V423 WeakPolarHBondContact OG-CA 3.47Å; S148-V423 PolarHBondContact OG-O 3.32Å; Q421-V423 HydrophobicContact CB-CG2 4.34Å; Q421-V423 HydrophobicContact CG-CG2 4Å; Q421-V423 PolarHBondContact O-N 3.3Å; V423-H427 HydrophobicContact CB-CB 4.14Å; V423-H427 WeakPolarHBondContact CB-O 3.23Å; V423-H427 PolarHBondContact N-O 3.12Å; V423-W446 HydrophobicContact CB-CZ3 4.4Å; V423-W446 HydrophobicContact CG2-CH2 3.99Å; V423-W446 HydrophobicContact CG2-CZ3 3.71Å
424	N	98.1	Very high	98.7	Very high	62 Å²	62	25.1 Å²	25.1	33%	0.332	13%	0.126	S	C	.	.	S	Bend	trans	-165.8	-168.8	177.3	57.7	52.3	0	0	0	108.9	S251 W297 T426 H427	S251-N424 PolarHBondContact OG-O 2.92Å; W297-N424 PolarHBondContact NE1-O 3.41Å; N424-T426 PolarHBondContact O-N 3.34Å; N424-T426 WeakPolarHBondContact OD1-CA 3.36Å; N424-T426 PolarHBondContact OD1-N 3.49Å; N424-T426 PolarHBondContact OD1-OG1 2.88Å; N424-H427 PolarHBondContact N-O 3.22Å; N424-H427 PolarHBondContact OD1-N 3.09Å
425	T	98.2	Very high	98.7	Very high	67 Å²	67	24.6 Å²	24.6	41%	0.411	12%	0.123	S	C	.	.	S	Bend	trans	-60.9	-8	179	52.4	0	0	0	0	116.1	P296 H452	P296-T425 HydrophobicContact CG-CG2 3.75Å; P296-T425 WeakPolarHBondContact CG-O 3.26Å; T425-H452 PolarHBondContact O-NE2 2.91Å
426	T	98.4	Very high	98.7	Very high	41 Å²	41	27 Å²	27	25%	0.252	14%	0.138	S	C	.	.	S	Bend	trans	-132.6	-13	-174.4	59.4	0	0	0	0	114.5	N424 V448 K449	N424-T426 PolarHBondContact O-N 3.34Å; N424-T426 WeakPolarHBondContact OD1-CA 3.36Å; N424-T426 PolarHBondContact OD1-N 3.49Å; N424-T426 PolarHBondContact OD1-OG1 2.88Å; T426-V448 CarbonylContact O-C 3.24Å; T426-V448 VanDerWaalsContact O-CA 3.26Å; T426-V448 WeakPolarHBondContact O-CA 3.39Å; T426-K449 VanDerWaalsContact CA-O 3.22Å; T426-K449 WeakPolarHBondContact CA-O 3.49Å; T426-K449 VanDerWaalsContact CB-O 3.22Å; T426-K449 WeakPolarHBondContact CB-O 3.43Å; T426-K449 WeakPolarHBondContact CG2-O 3.45Å; T426-K449 PolarHBondContact O-N 2.92Å
427	H	98.8	Very high	98.7	Very high	62 Å²	62	30.6 Å²	30.6	29%	0.287	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.9	-178.7	-66.6	67.5	0	0	0	112.5	V423 N424 W446	V423-H427 HydrophobicContact CB-CB 4.14Å; V423-H427 WeakPolarHBondContact CB-O 3.23Å; V423-H427 PolarHBondContact N-O 3.12Å; N424-H427 PolarHBondContact N-O 3.22Å; N424-H427 PolarHBondContact OD1-N 3.09Å; H427-W446 HydrophobicContact CB-CE3 4.04Å; H427-W446 HydrophobicContact CB-CZ3 3.91Å; H427-W446 AromaticContact CD2-CE3 3.99Å
428	I	98.9	Very high	98.6	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.9	160.7	-68.5	175.7	0	0	0	108	W297 I299 V348 M420 Q421 V422 W446 V447	W297-I428 HydrophobicContact CB-CD1 4.43Å; W297-I428 HydrophobicContact CD2-CD1 3.42Å; W297-I428 VanDerWaalsContact CD2-CD1 3.42Å; W297-I428 HydrophobicContact CD2-CG1 3.81Å; W297-I428 HydrophobicContact CE3-CD1 3.37Å; W297-I428 HydrophobicContact CE3-CG1 4.08Å; W297-I428 HydrophobicContact CG-CD1 3.91Å; W297-I428 HydrophobicContact CG-CG1 4.34Å; W297-I428 HydrophobicContact CH2-CD1 4.16Å; W297-I428 HydrophobicContact CH2-CG1 4.08Å; W297-I428 HydrophobicContact CZ2-CB 4.45Å; W297-I428 HydrophobicContact CZ2-CD1 4.18Å; W297-I428 HydrophobicContact CZ2-CG1 3.78Å; W297-I428 HydrophobicContact CZ3-CD1 3.78Å; W297-I428 HydrophobicContact CZ3-CG1 4.22Å; I299-I428 HydrophobicContact CD1-CD1 3.93Å; I299-I428 HydrophobicContact CG1-CD1 4.44Å; V348-I428 HydrophobicContact CG2-CD1 4.21Å; M420-I428 HydrophobicContact CG-CG2 3.74Å; M420-I428 HydrophobicContact SD-CG2 4.03Å; Q421-I428 WeakPolarHBondContact O-CA 3.42Å; V422-I428 HydrophobicContact CB-CG1 4.47Å; V422-I428 HydrophobicContact CG1-CG1 4.34Å; V422-I428 HydrophobicContact CG2-CD1 4.29Å; V422-I428 HydrophobicContact CG2-CG1 4.18Å; I428-W446 WeakPolarHBondContact O-CA 3.39Å; I428-V447 HydrophobicContact CB-CB 4.36Å; I428-V447 PolarHBondContact N-O 3.38Å; I428-V447 PolarHBondContact O-N 3.14Å
429	Y	98.9	Very high	98.5	Very high	52 Å²	52	41.5 Å²	41.5	20%	0.204	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.7	166.9	178.7	-109	0	0	0	109.4	M420 Q421 E431 I445 W446	M420-Y429 CarbonylContact C-O 3.56Å; M420-Y429 WeakPolarHBondContact CA-O 3.45Å; Q421-Y429 PolarHBondContact N-O 3.42Å; Q421-Y429 PolarHBondContact O-N 3.39Å; Y429-E431 HydrophobicContact CE1-CB 4.02Å; Y429-E431 HydrophobicContact CE1-CG 3.9Å; Y429-E431 VanDerWaalsContact CE1-OE2 3.25Å; Y429-E431 WeakPolarHBondContact CE1-OE2 3.2Å; Y429-E431 PolarHBondContact OH-OE2 2.48Å; Y429-I445 WeakPolarHBondContact CD2-O 3.44Å; Y429-W446 AromaticContact CD2-CD2 3.92Å; Y429-W446 HydrophobicContact CD2-CD2 3.92Å; Y429-W446 AromaticContact CD2-CE2 3.46Å; Y429-W446 VanDerWaalsContact CD2-CE2 3.46Å; Y429-W446 HydrophobicContact CD2-CG 4.28Å; Y429-W446 HydrophobicContact CD2-CH2 4.39Å; Y429-W446 AromaticContact CD2-CZ2 3.73Å; Y429-W446 HydrophobicContact CD2-CZ2 3.73Å; Y429-W446 AromaticContact CD2-NE1 3.54Å; Y429-W446 AromaticContact CE2-NE1 3.91Å; Y429-W446 HydrophobicContact CG-CH2 4.3Å; Y429-W446 HydrophobicContact CG-CZ2 4.05Å
430	L	98.8	Very high	98.5	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.1	174.5	-175.2	149.1	0	0	0	109.8	L153 I386 R419 M420 S444 I445	L153-L430 HydrophobicContact CD1-CD1 4.18Å; I386-L430 HydrophobicContact CD1-CD1 4.47Å; I386-L430 HydrophobicContact CD1-CD2 4.3Å; I386-L430 HydrophobicContact CG1-CD1 3.95Å; I386-L430 HydrophobicContact CG2-CD1 4.3Å; I386-L430 HydrophobicContact CG2-CD2 4.36Å; R419-L430 CarbonylContact O-C 3.46Å; R419-L430 VanDerWaalsContact O-CA 3.31Å; R419-L430 WeakPolarHBondContact O-CA 3.43Å; M420-L430 HydrophobicContact CB-CD1 4.44Å; L430-S444 CarbonylContact O-C 3.56Å; L430-S444 VanDerWaalsContact O-CA 3.25Å; L430-S444 WeakPolarHBondContact O-CA 3.36Å; L430-I445 HydrophobicContact CB-CG1 4.03Å; L430-I445 HydrophobicContact CD2-CG1 4.38Å; L430-I445 PolarHBondContact N-O 2.99Å; L430-I445 PolarHBondContact O-N 3.25Å
431	E	98.8	Very high	98.5	Very high	26 Å²	26	47.7 Å²	47.7	12%	0.121	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	146.5	176.2	61.9	177.6	-152.8	0	0	112	S418 R419 Y429 V441 D443	S418-E431 CarbonylContact C-O 3.52Å; S418-E431 VanDerWaalsContact CA-O 3.26Å; S418-E431 WeakPolarHBondContact CA-O 3.5Å; R419-E431 HydrophobicContact CB-CG 3.88Å; R419-E431 WeakPolarHBondContact CD-OE1 3.42Å; R419-E431 HydrophobicContact CG-CG 4.48Å; R419-E431 IonicContact CZ-OE1 2.67Å; R419-E431 PolarHBondContact N-O 2.79Å; R419-E431 IonicContact NH1-OE1 3.24Å; R419-E431 PolarHBondContact NH1-OE1 3.16Å; R419-E431 PolarHBondContact O-N 2.98Å; Y429-E431 HydrophobicContact CE1-CB 4.02Å; Y429-E431 HydrophobicContact CE1-CG 3.9Å; Y429-E431 VanDerWaalsContact CE1-OE2 3.25Å; Y429-E431 WeakPolarHBondContact CE1-OE2 3.2Å; Y429-E431 PolarHBondContact OH-OE2 2.48Å; E431-V441 HydrophobicContact CB-CG1 3.84Å; E431-V441 HydrophobicContact CG-CG2 4.46Å; E431-D443 CarbonylContact C-O 3.51Å; E431-D443 VanDerWaalsContact CA-O 3.28Å; E431-D443 WeakPolarHBondContact CA-O 3.13Å
432	Q	98.8	Very high	98.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.3	172.7	179.7	65.5	11.2	0	0	110.4	Y357 Y417 S418 V441 I442 D443	Y357-Q432 HydrophobicContact CD1-CB 3.95Å; Y357-Q432 HydrophobicContact CD1-CG 3.69Å; Y357-Q432 HydrophobicContact CD2-CB 3.97Å; Y357-Q432 HydrophobicContact CD2-CG 3.67Å; Y357-Q432 HydrophobicContact CE1-CB 3.68Å; Y357-Q432 HydrophobicContact CE1-CG 3.99Å; Y357-Q432 HydrophobicContact CE2-CB 3.71Å; Y357-Q432 HydrophobicContact CE2-CG 3.98Å; Y357-Q432 HydrophobicContact CG-CB 4.07Å; Y357-Q432 VanDerWaalsContact CG-CD 3.5Å; Y357-Q432 HydrophobicContact CG-CG 3.5Å; Y417-Q432 PolarHBondContact O-OE1 3.05Å; S418-Q432 PolarHBondContact OG-OE1 3.36Å; Q432-V441 CarbonylContact O-C 3.15Å; Q432-V441 VanDerWaalsContact O-CA 3.31Å; Q432-V441 WeakPolarHBondContact O-CA 3.3Å; Q432-I442 HydrophobicContact CB-CG1 4.08Å; Q432-I442 HydrophobicContact CG-CD1 3.87Å; Q432-I442 HydrophobicContact CG-CG1 3.78Å; Q432-I442 PolarHBondContact O-N 3.47Å; Q432-D443 HydrophobicContact CB-CB 4.23Å; Q432-D443 PolarHBondContact N-O 2.89Å
433	V	98.8	Very high	98.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.9	175.4	-177.2	0	0	0	0	108.6	G416 Y417 R419	G416-V433 WeakPolarHBondContact CA-O 3.28Å; Y417-V433 HydrophobicContact CE1-CB 4.26Å; Y417-V433 HydrophobicContact CE1-CG1 4.18Å; Y417-V433 HydrophobicContact CE2-CB 4.45Å; Y417-V433 HydrophobicContact CE2-CG2 4.3Å; Y417-V433 PolarHBondContact N-O 3.35Å; Y417-V433 VanDerWaalsContact N-O 3.17Å; Y417-V433 PolarHBondContact O-N 3.34Å; R419-V433 HydrophobicContact CG-CG2 4.12Å; R419-V433 VanDerWaalsContact CZ-CG2 3.41Å
434	S	98.8	Very high	98.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.3	173.7	163.7	0	0	0	0	110.7	D414 D436 Q437 G439 K440	D414-S434 WeakPolarHBondContact CB-OG 3.25Å; D414-S434 WeakPolarHBondContact OD2-CB 3.41Å; D414-S434 PolarHBondContact OD2-OG 2.94Å; S434-D436 PolarHBondContact OG-N 3.21Å; S434-Q437 CarbonylContact O-C 3.5Å; S434-Q437 WeakPolarHBondContact OG-CB 3.32Å; S434-Q437 PolarHBondContact OG-N 2.96Å; S434-G439 VanDerWaalsContact O-CA 3.23Å; S434-G439 WeakPolarHBondContact O-CA 3.48Å; S434-G439 PolarHBondContact O-N 2.85Å; S434-K440 PolarHBondContact N-O 3.39Å; S434-K440 PolarHBondContact O-N 3.35Å
435	D	98.5	Very high	98.5	Very high	21 Å²	21	45 Å²	45	11%	0.112	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-32	172.7	-85.8	-59	0	0	0	112.4	S164 R167 Y415 Q437 Y438	S164-D435 WeakPolarHBondContact CA-OD2 3.15Å; S164-D435 PolarHBondContact OG-OD2 2.81Å; R167-D435 IonicContact CZ-OD1 2.7Å; R167-D435 VanDerWaalsContact CZ-OD1 3.23Å; R167-D435 IonicContact NE-OD1 3.34Å; R167-D435 PolarHBondContact NE-OD1 3.41Å; R167-D435 IonicContact NH2-OD1 3.23Å; R167-D435 PolarHBondContact NH2-OD1 2.82Å; Y415-D435 PolarHBondContact O-N 3.39Å; D435-Q437 PolarHBondContact O-N 2.93Å; D435-Y438 PolarHBondContact O-N 2.6Å
436	D	98.4	Very high	98.5	Very high	79 Å²	79	47.9 Å²	47.9	42%	0.422	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.8	172.5	-69.2	-20.5	0	0	0	112.3	D414 Y415 S434	D414-D436 VanDerWaalsContact CA-OD2 3.26Å; D414-D436 WeakPolarHBondContact CA-OD2 3.39Å; D414-D436 HydrophobicContact CB-CB 4.16Å; Y415-D436 PolarHBondContact N-OD2 3.25Å; S434-D436 PolarHBondContact OG-N 3.21Å
437	Q	98.3	Very high	98.5	Very high	75 Å²	75	46 Å²	46	35%	0.35	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	31.7	174	-61.5	-178.7	60.1	0	0	112.7	D414 S434 D435 G439 K440	D414-Q437 PolarHBondContact OD2-NE2 3.16Å; S434-Q437 CarbonylContact O-C 3.5Å; S434-Q437 WeakPolarHBondContact OG-CB 3.32Å; S434-Q437 PolarHBondContact OG-N 2.96Å; D435-Q437 PolarHBondContact O-N 2.93Å; Q437-G439 VanDerWaalsContact C-N 3.29Å; Q437-G439 PolarHBondContact O-N 2.9Å; Q437-K440 HydrophobicContact CB-CB 3.91Å; Q437-K440 HydrophobicContact CB-CD 4.44Å; Q437-K440 WeakPolarHBondContact O-CB 3.24Å; Q437-K440 PolarHBondContact O-N 2.8Å
438	Y	97.1	Very high	98.5	Very high	210 Å²	210	44 Å²	44	82%	0.824	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	31.6	171.6	-55	-76.7	0	0	0	115.2	D435	D435-Y438 PolarHBondContact O-N 2.6Å
439	G	97.3	Very high	98.4	Very high	20 Å²	20	44 Å²	44	21%	0.206	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	20.4	179.6	0	0	0	0	0	114.1	R167 S434 Q437	R167-G439 VanDerWaalsContact CZ-CA 3.4Å; S434-G439 VanDerWaalsContact O-CA 3.23Å; S434-G439 WeakPolarHBondContact O-CA 3.48Å; S434-G439 PolarHBondContact O-N 2.85Å; Q437-G439 VanDerWaalsContact C-N 3.29Å; Q437-G439 PolarHBondContact O-N 2.9Å
440	K	98.5	Very high	98.2	Very high	116 Å²	116	48.4 Å²	48.4	50%	0.504	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	137.6	174.2	177.4	178.7	160.6	-154.2	0	110	S434 Q437 I442	S434-K440 PolarHBondContact N-O 3.39Å; S434-K440 PolarHBondContact O-N 3.35Å; Q437-K440 HydrophobicContact CB-CB 3.91Å; Q437-K440 HydrophobicContact CB-CD 4.44Å; Q437-K440 WeakPolarHBondContact O-CB 3.24Å; Q437-K440 PolarHBondContact O-N 2.8Å; K440-I442 HydrophobicContact CG-CG2 4.46Å; K440-I442 PolarHBondContact O-N 2.98Å
441	V	98.8	Very high	98	Very high	55 Å²	55	53.5 Å²	53.5	33%	0.333	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	116.3	167.1	176.2	0	0	0	0	108.7	E431 Q432 D443	E431-V441 HydrophobicContact CB-CG1 3.84Å; E431-V441 HydrophobicContact CG-CG2 4.46Å; Q432-V441 CarbonylContact O-C 3.15Å; Q432-V441 VanDerWaalsContact O-CA 3.31Å; Q432-V441 WeakPolarHBondContact O-CA 3.3Å; V441-D443 VanDerWaalsContact CG1-O 3.3Å; V441-D443 WeakPolarHBondContact CG1-O 3.31Å
442	I	98.8	Very high	97.8	Very high	29 Å²	29	53.6 Å²	53.6	15%	0.149	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-19.3	-176.6	56.3	161.3	0	0	0	112.9	F410 S412 Q432 K440	F410-I442 HydrophobicContact CE1-CD1 4.38Å; F410-I442 WeakPolarHBondContact CZ-O 3.48Å; S412-I442 WeakPolarHBondContact OG-CD1 3.36Å; Q432-I442 HydrophobicContact CB-CG1 4.08Å; Q432-I442 HydrophobicContact CG-CD1 3.87Å; Q432-I442 HydrophobicContact CG-CG1 3.78Å; Q432-I442 PolarHBondContact O-N 3.47Å; K440-I442 HydrophobicContact CG-CG2 4.46Å; K440-I442 PolarHBondContact O-N 2.98Å
443	D	98.8	Very high	97.5	Very high	15 Å²	15	53.9 Å²	53.9	8%	0.08	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	151.1	174.4	-169.4	26.7	0	0	0	110.7	Y357 R359 F410 E431 Q432 V441	Y357-D443 HydrophobicContact CE1-CB 3.78Å; Y357-D443 WeakPolarHBondContact CE1-OD2 3.35Å; Y357-D443 PolarHBondContact OH-OD2 2.99Å; Y357-D443 VanDerWaalsContact OH-OD2 3.09Å; R359-D443 IonicContact CZ-OD1 3.19Å; R359-D443 IonicContact CZ-OD2 3.75Å; R359-D443 IonicContact NE-OD1 3.9Å; R359-D443 IonicContact NE-OD2 3.83Å; R359-D443 PolarHBondContact NE-OD2 2.92Å; R359-D443 IonicContact NH2-OD1 3.35Å; R359-D443 PolarHBondContact NH2-OD1 2.93Å; R359-D443 IonicContact NH2-OD2 3.87Å; R359-D443 PolarHBondContact NH2-OD2 2.9Å; F410-D443 HydrophobicContact CD1-CB 3.8Å; F410-D443 HydrophobicContact CD2-CB 4.39Å; F410-D443 HydrophobicContact CE1-CB 3.71Å; F410-D443 HydrophobicContact CE2-CB 4.29Å; F410-D443 HydrophobicContact CG-CB 4.16Å; F410-D443 HydrophobicContact CZ-CB 3.96Å; E431-D443 CarbonylContact C-O 3.51Å; E431-D443 VanDerWaalsContact CA-O 3.28Å; E431-D443 WeakPolarHBondContact CA-O 3.13Å; Q432-D443 HydrophobicContact CB-CB 4.23Å; Q432-D443 PolarHBondContact N-O 2.89Å; V441-D443 VanDerWaalsContact CG1-O 3.3Å; V441-D443 WeakPolarHBondContact CG1-O 3.31Å
444	S	98.4	Very high	97.1	Very high	60 Å²	60	56.4 Å²	56.4	42%	0.42	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	143.5	176.6	66.4	0	0	0	0	111.5	L430	L430-S444 CarbonylContact O-C 3.56Å; L430-S444 VanDerWaalsContact O-CA 3.25Å; L430-S444 WeakPolarHBondContact O-CA 3.36Å
445	I	98.4	Very high	96.6	Very high	11 Å²	11	60.5 Å²	60.5	6%	0.056	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	152.9	176.4	55.6	161.3	0	0	0	112.7	R359 Y377 V384 I386 Y429 L430 V447	R359-I445 VanDerWaalsContact NE-CG2 3.27Å; Y377-I445 HydrophobicContact CD2-CB 4.44Å; Y377-I445 HydrophobicContact CD2-CG2 4.01Å; Y377-I445 HydrophobicContact CE2-CG2 3.8Å; V384-I445 HydrophobicContact CG1-CD1 4.35Å; I386-I445 HydrophobicContact CD1-CD1 4.13Å; Y429-I445 WeakPolarHBondContact CD2-O 3.44Å; L430-I445 HydrophobicContact CB-CG1 4.03Å; L430-I445 HydrophobicContact CD2-CG1 4.38Å; L430-I445 PolarHBondContact N-O 2.99Å; L430-I445 PolarHBondContact O-N 3.25Å; I445-V447 HydrophobicContact CD1-CG2 3.83Å
446	W	98.6	Very high	96	Very high	127 Å²	127	60.6 Å²	60.6	48%	0.481	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120	161	-73.6	91.4	0	0	0	108.5	Y377 V423 H427 I428 Y429 V448	Y377-W446 VanDerWaalsContact CB-O 3.28Å; Y377-W446 WeakPolarHBondContact CB-O 3.32Å; V423-W446 HydrophobicContact CB-CZ3 4.4Å; V423-W446 HydrophobicContact CG2-CH2 3.99Å; V423-W446 HydrophobicContact CG2-CZ3 3.71Å; H427-W446 HydrophobicContact CB-CE3 4.04Å; H427-W446 HydrophobicContact CB-CZ3 3.91Å; H427-W446 AromaticContact CD2-CE3 3.99Å; I428-W446 WeakPolarHBondContact O-CA 3.39Å; Y429-W446 AromaticContact CD2-CD2 3.92Å; Y429-W446 HydrophobicContact CD2-CD2 3.92Å; Y429-W446 AromaticContact CD2-CE2 3.46Å; Y429-W446 VanDerWaalsContact CD2-CE2 3.46Å; Y429-W446 HydrophobicContact CD2-CG 4.28Å; Y429-W446 HydrophobicContact CD2-CH2 4.39Å; Y429-W446 AromaticContact CD2-CZ2 3.73Å; Y429-W446 HydrophobicContact CD2-CZ2 3.73Å; Y429-W446 AromaticContact CD2-NE1 3.54Å; Y429-W446 AromaticContact CE2-NE1 3.91Å; Y429-W446 HydrophobicContact CG-CH2 4.3Å; Y429-W446 HydrophobicContact CG-CZ2 4.05Å; W446-V448 HydrophobicContact CB-CG2 4.12Å
447	V	98.7	Very high	95.3	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.7	165.2	-173.2	0	0	0	0	106.9	W297 V348 V384 I428 I445	W297-V447 HydrophobicContact CH2-CB 4.42Å; W297-V447 HydrophobicContact CH2-CG1 4.03Å; W297-V447 WeakPolarHBondContact CH2-O 3.45Å; W297-V447 HydrophobicContact CZ3-CG1 4Å; V348-V447 HydrophobicContact CG2-CG2 4.46Å; V384-V447 HydrophobicContact CG2-CG1 4.34Å; V384-V447 HydrophobicContact CG2-CG2 4.36Å; I428-V447 HydrophobicContact CB-CB 4.36Å; I428-V447 PolarHBondContact N-O 3.38Å; I428-V447 PolarHBondContact O-N 3.14Å; I445-V447 HydrophobicContact CD1-CG2 3.83Å
448	V	98.6	Very high	94.4	Very high	20 Å²	20	59.2 Å²	59.2	12%	0.121	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.3	-176.9	-175.1	0	0	0	0	109.1	Y377 V378 N379 T426 W446	Y377-V448 PolarHBondContact O-N 3.48Å; V378-V448 CarbonylContact C-O 3.54Å; V378-V448 HydrophobicContact CB-CB 4.47Å; V378-V448 HydrophobicContact CG1-CB 4.34Å; V378-V448 HydrophobicContact CG1-CG1 4.48Å; V378-V448 HydrophobicContact CG2-CB 4.11Å; V378-V448 HydrophobicContact CG2-CG2 4.26Å; N379-V448 PolarHBondContact N-O 3.01Å; T426-V448 CarbonylContact O-C 3.24Å; T426-V448 VanDerWaalsContact O-CA 3.26Å; T426-V448 WeakPolarHBondContact O-CA 3.39Å; W446-V448 HydrophobicContact CB-CG2 4.12Å
449	K	96.8	Very high	92.6	Very high	2 Å²	2	54 Å²	54	1%	0.009	28%	0.278	C	S	.	.			trans	-133.9	121.4	175.6	-68.1	-172.5	93.7	171	0	110.2	W297 D347 N379 T426 H452	W297-K449 HydrophobicContact CH2-CB 3.99Å; W297-K449 HydrophobicContact CH2-CD 4.27Å; W297-K449 HydrophobicContact CH2-CG 3.99Å; W297-K449 HydrophobicContact CZ3-CB 4.37Å; W297-K449 HydrophobicContact CZ3-CD 3.86Å; W297-K449 HydrophobicContact CZ3-CG 4.1Å; D347-K449 HydrophobicContact CB-CD 4.36Å; D347-K449 WeakPolarHBondContact OD1-CD 3.34Å; D347-K449 VanDerWaalsContact OD1-CE 3.32Å; D347-K449 WeakPolarHBondContact OD1-CE 3.2Å; D347-K449 IonicContact OD1-NZ 3.67Å; D347-K449 PolarHBondContact OD1-NZ 3.35Å; N379-K449 WeakPolarHBondContact OD1-CA 3.43Å; T426-K449 VanDerWaalsContact CA-O 3.22Å; T426-K449 WeakPolarHBondContact CA-O 3.49Å; T426-K449 VanDerWaalsContact CB-O 3.22Å; T426-K449 WeakPolarHBondContact CB-O 3.43Å; T426-K449 WeakPolarHBondContact CG2-O 3.45Å; T426-K449 PolarHBondContact O-N 2.92Å; K449-H452 PolarHBondContact O-NE2 3.19Å
450	E	95.1	Very high	90.4	Very high	143 Å²	143	61.8 Å²	61.8	67%	0.668	31%	0.306	S	S	*	.	S	Bend	trans	-84.5	-27.3	173.5	-65	175.8	-170.2	0	0	111.6	N379	N379-E450 PolarHBondContact OD1-N 3.02Å
451	K	94	Very high	88	Confident	112 Å²	112	61.8 Å²	61.8	49%	0.487	32%	0.318	S	S	.	.	S	Bend	trans	-136.1	136.2	176.3	-62.9	-178	-172.1	171.4	0	109.2	A456 Q459	K451-A456 HydrophobicContact CB-CB 3.81Å; K451-A456 WeakPolarHBondContact O-CB 3.44Å; K451-Q459 VanDerWaalsContact NZ-OE1 3.16Å
452	H	95	Very high	85.4	Confident	28 Å²	28	65.3 Å²	65.3	13%	0.13	34%	0.339	C	S	.	.			trans	-108.1	167.1	-177.5	-68.8	-100.2	0	0	0	112	P296 W297 D347 T425 K449	P296-H452 HydrophobicContact CB-CB 4.21Å; P296-H452 WeakPolarHBondContact O-CB 3.24Å; P296-H452 PolarHBondContact O-ND1 2.93Å; W297-H452 AromaticContact CD2-CE1 3.53Å; W297-H452 AromaticContact CE2-CE1 3.65Å; W297-H452 AromaticContact CE3-CE1 3.56Å; W297-H452 AromaticContact CH2-CE1 3.86Å; W297-H452 AromaticContact CZ2-CE1 3.83Å; W297-H452 AromaticContact CZ3-CE1 3.73Å; D347-H452 IonicContact OD1-ND1 2.79Å; D347-H452 PolarHBondContact OD1-ND1 2.88Å; D347-H452 IonicContact OD2-ND1 3.72Å; T425-H452 PolarHBondContact O-NE2 2.91Å; K449-H452 PolarHBondContact O-NE2 3.19Å
453	G	91.6	Very high	82.6	Confident	5 Å²	5	71.4 Å²	71.4	5%	0.052	37%	0.372	C	S	.	.	S	Bend	trans	79.2	167.4	180	0	0	0	0	0	114.2	S455 A456	G453-S455 PolarHBondContact O-N 2.65Å; G453-S455 VanDerWaalsContact O-N 3.16Å; G453-A456 VanDerWaalsContact O-CB 3.29Å; G453-A456 WeakPolarHBondContact O-CB 3.25Å; G453-A456 PolarHBondContact O-N 2.59Å
454	F	90.3	Very high	79.6	Confident	54 Å²	54	76.4 Å²	76.4	24%	0.237	40%	0.402	C	S	.	.	H	α-helix	trans	-56.9	-34.3	-174.3	-178.6	-116.8	0	0	0	113.9	Y342 H343 A456 W457 L458	Y342-F454 HydrophobicContact CD1-CD2 4.37Å; Y342-F454 AromaticContact CD1-CE2 3.83Å; Y342-F454 HydrophobicContact CD1-CE2 3.83Å; Y342-F454 HydrophobicContact CE1-CD2 4.27Å; Y342-F454 AromaticContact CE1-CE2 3.47Å; Y342-F454 HydrophobicContact CE1-CE2 3.47Å; Y342-F454 VanDerWaalsContact CE1-CE2 3.47Å; Y342-F454 HydrophobicContact CE1-CZ 4.37Å; Y342-F454 WeakPolarHBondContact O-CD2 3.14Å; H343-F454 AromaticContact CE1-CZ 3.97Å; H343-F454 AromaticContact ND1-CE1 3.91Å; H343-F454 AromaticContact ND1-CE2 3.65Å; H343-F454 AromaticContact ND1-CZ 3.49Å; H343-F454 WeakPolarHBondContact ND1-CZ 3.27Å; H343-F454 WeakPolarHBondContact O-CB 3.27Å; F454-A456 PolarHBondContact O-N 3.43Å; F454-W457 AromaticContact CD2-CE3 3.75Å; F454-W457 HydrophobicContact CD2-CE3 3.75Å; F454-W457 HydrophobicContact CD2-CZ3 4.28Å; F454-W457 HydrophobicContact CE2-CE3 4.39Å; F454-W457 WeakPolarHBondContact O-CB 3.49Å; F454-W457 PolarHBondContact O-N 2.93Å; F454-L458 HydrophobicContact CD1-CD1 4.03Å; F454-L458 HydrophobicContact CD1-CG 4.49Å; F454-L458 HydrophobicContact CE1-CD1 3.66Å; F454-L458 HydrophobicContact CE1-CD2 4.24Å; F454-L458 HydrophobicContact CE1-CG 4.15Å; F454-L458 HydrophobicContact CE2-CD2 4.45Å; F454-L458 HydrophobicContact CZ-CD1 4.21Å; F454-L458 HydrophobicContact CZ-CD2 3.92Å; F454-L458 HydrophobicContact CZ-CG 4.25Å
455	S	87.6	Confident	76.8	Confident	86 Å²	86	79.1 Å²	79.1	60%	0.601	42%	0.42	S	S	*	.	H	α-helix	trans	-61.8	-25.7	178.2	72.8	0	0	0	0	113.7	G453 W457	G453-S455 PolarHBondContact O-N 2.65Å; G453-S455 VanDerWaalsContact O-N 3.16Å; S455-W457 VanDerWaalsContact C-N 3.28Å; S455-W457 PolarHBondContact O-N 3.33Å
456	A	86.5	Confident	74.1	Confident	22 Å²	22	89.7 Å²	89.7	18%	0.182	47%	0.474	C	S	.	.	H	α-helix	trans	-68.6	-29	175.5	0	0	0	0	0	111.9	K451 G453 F454	K451-A456 HydrophobicContact CB-CB 3.81Å; K451-A456 WeakPolarHBondContact O-CB 3.44Å; G453-A456 VanDerWaalsContact O-CB 3.29Å; G453-A456 WeakPolarHBondContact O-CB 3.25Å; G453-A456 PolarHBondContact O-N 2.59Å; F454-A456 PolarHBondContact O-N 3.43Å
457	W	85	Confident	72.9	Confident	14 Å²	14	87.9 Å²	87.9	5%	0.053	47%	0.474	C	S	.	.	H	α-helix	trans	-80.8	-22.6	-177.7	-56	-18.2	0	0	0	113	Y342 V346 P380 K381 P383 F454 S455	Y342-W457 HydrophobicContact CD1-CZ3 4.48Å; Y342-W457 AromaticContact CD2-CE3 3.75Å; Y342-W457 HydrophobicContact CD2-CE3 3.75Å; Y342-W457 HydrophobicContact CD2-CH2 4.14Å; Y342-W457 AromaticContact CD2-CZ3 3.23Å; Y342-W457 HydrophobicContact CD2-CZ3 3.23Å; Y342-W457 AromaticContact CE2-CE3 3.47Å; Y342-W457 HydrophobicContact CE2-CE3 3.47Å; Y342-W457 VanDerWaalsContact CE2-CE3 3.47Å; Y342-W457 AromaticContact CE2-CZ3 3.48Å; Y342-W457 HydrophobicContact CE2-CZ3 3.48Å; Y342-W457 VanDerWaalsContact CE2-CZ3 3.48Å; Y342-W457 HydrophobicContact CG-CE3 4.34Å; Y342-W457 AromaticContact CG-CZ3 3.76Å; Y342-W457 HydrophobicContact CG-CZ3 3.76Å; Y342-W457 AromaticContact CZ-CE3 3.89Å; Y342-W457 WeakPolarHBondContact O-CZ3 3.49Å; V346-W457 WeakPolarHBondContact O-CH2 3.08Å; V346-W457 WeakPolarHBondContact O-CZ2 3.46Å; P380-W457 VanDerWaalsContact O-CD1 3.29Å; P380-W457 PolarHBondContact O-NE1 2.91Å; K381-W457 VanDerWaalsContact CA-CD1 3.48Å; K381-W457 HydrophobicContact CB-CB 4.15Å; K381-W457 HydrophobicContact CB-CG 4.3Å; P383-W457 HydrophobicContact CG-CH2 3.94Å; F454-W457 AromaticContact CD2-CE3 3.75Å; F454-W457 HydrophobicContact CD2-CE3 3.75Å; F454-W457 HydrophobicContact CD2-CZ3 4.28Å; F454-W457 HydrophobicContact CE2-CE3 4.39Å; F454-W457 WeakPolarHBondContact O-CB 3.49Å; F454-W457 PolarHBondContact O-N 2.93Å; S455-W457 VanDerWaalsContact C-N 3.28Å; S455-W457 PolarHBondContact O-N 3.33Å
458	L	77.5	Confident	71.6	Confident	111 Å²	111	92.3 Å²	92.3	58%	0.581	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-8.3	-179.3	-61.7	179.2	0	0	0	114.4	F454 K460	F454-L458 HydrophobicContact CD1-CD1 4.03Å; F454-L458 HydrophobicContact CD1-CG 4.49Å; F454-L458 HydrophobicContact CE1-CD1 3.66Å; F454-L458 HydrophobicContact CE1-CD2 4.24Å; F454-L458 HydrophobicContact CE1-CG 4.15Å; F454-L458 HydrophobicContact CE2-CD2 4.45Å; F454-L458 HydrophobicContact CZ-CD1 4.21Å; F454-L458 HydrophobicContact CZ-CD2 3.92Å; F454-L458 HydrophobicContact CZ-CG 4.25Å; L458-K460 PolarHBondContact O-N 3.01Å; L458-K460 VanDerWaalsContact O-N 3.12Å
459	Q	59.5	Low	70.1	Confident	101 Å²	101	96.3 Å²	96.3	47%	0.472	52%	0.519	S	S	.	.			trans	-66.2	115	-177.2	-70.5	-179.6	24	0	0	110.6	K451	K451-Q459 VanDerWaalsContact NZ-OE1 3.16Å
460	K	52.4	Low	68.5	Low	184 Å²	184	101.9 Å²	101.9	80%	0.8	55%	0.549	S	S	*	.			trans	-62.8	147.1	167.6	-74.5	-173.8	178.3	-179.2	0	109.2	L458 V462	L458-K460 PolarHBondContact O-N 3.01Å; L458-K460 VanDerWaalsContact O-N 3.12Å; K460-V462 PolarHBondContact O-N 2.92Å
461	P	48.4	Very low	66.8	Low	115 Å²	115	99.3 Å²	99.3	75%	0.747	54%	0.541	S	S	*	.			trans	-54.9	127.2	174.9	19.9	-28.3	0	0	0	109.3	L463	P461-L463 PolarHBondContact O-N 3Å
462	V	43.2	Very low	65	Low	129 Å²	129	98.5 Å²	98.5	78%	0.782	55%	0.545	S	S	*	.			trans	-60	110	170.6	179.4	0	0	0	0	106	K460 V464	K460-V462 PolarHBondContact O-N 2.92Å; V462-V464 VanDerWaalsContact C-N 3.33Å; V462-V464 PolarHBondContact O-N 3.18Å
463	L	40.6	Very low	62.9	Low	158 Å²	158	103.5 Å²	103.5	83%	0.827	58%	0.575	S	S	*	*			trans	-59.6	102.4	166.3	-95.9	134.5	0	0	0	106.5	P461 C465	P461-L463 PolarHBondContact O-N 3Å; L463-C465 VanDerWaalsContact C-N 3.31Å; L463-C465 PolarHBondContact O-N 3.12Å
464	V	36.3	Very low	60.7	Low	120 Å²	120	111.1 Å²	111.1	73%	0.727	62%	0.615	S	S	*	*			trans	-67.1	99.9	162.8	-178	0	0	0	0	105	V462 I466	V462-V464 VanDerWaalsContact C-N 3.33Å; V462-V464 PolarHBondContact O-N 3.18Å; V464-I466 PolarHBondContact O-N 3.19Å
465	C	39.5	Very low	58.2	Low	117 Å²	117	115.8 Å²	115.8	79%	0.791	65%	0.646	S	S	*	*			trans	-60.3	118	166.6	-70.9	0	0	0	0	107.4	L463	L463-C465 VanDerWaalsContact C-N 3.31Å; L463-C465 PolarHBondContact O-N 3.12Å
466	I	41.9	Very low	55.5	Low	233 Å²	233	118.5 Å²	118.5	100%	1.195	65%	0.651	S	S	*	*			trans	-72.4	0	174.2	-46.7	175.2	0	0	0	109.2	V464	V464-I466 PolarHBondContact O-N 3.19Å

Retrieved 466 of 466 residues in 721.3 ms (Link to these results)

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